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 1s38_1_A DATA FIRST_RESID 11 DATA SEQUENCE RPRFSFSIAA REGKARTGTI EMKRGVIRTP AFMPVGTAAT VKALKPETVR DATA SEQUENCE ATGADIILGN TYHLMLRPGA ERIAKLGGLH SFMGWDRPIL TDSGGYQVMS DATA SEQUENCE LXXXTKQSEE GVTFKXXXXX SRHMLSPERS 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 0.000 176.312 176.300 0.020 0.000 0.893 11 R CA 0.000 56.103 56.100 0.004 0.000 0.921 11 R CB 0.000 30.300 30.300 -0.000 0.000 0.687 12 P HA 0.217 nan 4.420 nan 0.000 0.278 12 P C -0.182 177.170 177.300 0.087 0.000 1.258 12 P CA -0.567 62.566 63.100 0.055 0.000 0.811 12 P CB 1.233 32.965 31.700 0.052 0.000 1.063 13 R N 0.266 120.841 120.500 0.126 0.000 2.091 13 R HA -0.059 4.334 4.340 0.088 0.000 0.238 13 R C -0.315 176.162 176.300 0.295 0.000 1.136 13 R CA 1.165 57.372 56.100 0.179 0.000 0.959 13 R CB -0.098 30.311 30.300 0.182 0.000 0.856 13 R HN 0.542 nan 8.270 nan 0.000 0.437 14 F N -0.708 119.299 119.950 0.095 0.000 2.639 14 F HA 0.290 4.869 4.527 0.087 0.000 0.326 14 F C -1.691 174.177 175.800 0.113 0.000 1.150 14 F CA -0.571 57.498 58.000 0.115 0.000 1.057 14 F CB 1.971 41.056 39.000 0.142 0.000 1.300 14 F HN -0.154 nan 8.300 nan 0.000 0.486 15 S N 6.595 122.072 115.700 -0.372 0.000 2.706 15 S HA 0.493 5.016 4.470 0.088 0.000 0.270 15 S C -2.020 172.412 174.600 -0.281 0.000 1.163 15 S CA -0.369 57.719 58.200 -0.188 0.000 1.042 15 S CB 0.420 63.583 63.200 -0.061 0.000 1.079 15 S HN 0.585 nan 8.310 nan 0.000 0.474 16 F N 4.551 124.285 119.950 -0.359 0.000 2.404 16 F HA 0.755 5.334 4.527 0.087 0.000 0.354 16 F C -0.324 175.406 175.800 -0.116 0.000 1.122 16 F CA -0.502 57.344 58.000 -0.256 0.000 1.080 16 F CB 1.438 40.355 39.000 -0.138 0.000 1.131 16 F HN 0.428 nan 8.300 nan 0.000 0.471 17 S N 7.004 122.373 115.700 -0.552 0.000 2.532 17 S HA 0.605 5.127 4.470 0.088 0.000 0.299 17 S C -0.537 173.651 174.600 -0.687 0.000 1.105 17 S CA -0.628 57.255 58.200 -0.527 0.000 1.018 17 S CB 1.350 64.398 63.200 -0.253 0.000 1.021 17 S HN 0.520 nan 8.310 nan 0.000 0.483 18 I N 2.696 122.910 120.570 -0.593 0.000 2.312 18 I HA 0.334 4.556 4.170 0.088 0.000 0.290 18 I C 1.035 177.015 176.117 -0.229 0.000 1.008 18 I CA -0.451 60.594 61.300 -0.426 0.000 1.226 18 I CB 1.404 39.192 38.000 -0.352 0.000 1.371 18 I HN 0.840 nan 8.210 nan 0.000 0.468 19 A N 5.353 128.071 122.820 -0.170 0.000 1.984 19 A HA 0.627 4.999 4.320 0.088 0.000 0.214 19 A C 0.969 178.502 177.584 -0.085 0.000 1.173 19 A CA 0.767 52.737 52.037 -0.113 0.000 0.673 19 A CB 0.213 19.157 19.000 -0.093 0.000 0.830 19 A HN 0.725 nan 8.150 nan 0.000 0.453 20 A N -0.880 121.892 122.820 -0.081 0.000 2.606 20 A HA 0.766 5.139 4.320 0.088 0.000 0.293 20 A C -0.653 176.901 177.584 -0.051 0.000 1.082 20 A CA -0.771 51.231 52.037 -0.057 0.000 0.685 20 A CB 1.151 20.122 19.000 -0.050 0.000 1.284 20 A HN 0.287 nan 8.150 nan 0.000 0.408 21 R N 0.066 120.549 120.500 -0.028 0.000 2.799 21 R HA 0.751 5.144 4.340 0.088 0.000 0.270 21 R C -1.411 174.900 176.300 0.018 0.000 1.010 21 R CA -0.745 55.350 56.100 -0.010 0.000 0.916 21 R CB 2.526 32.826 30.300 -0.001 0.000 1.228 21 R HN 0.787 nan 8.270 nan 0.000 0.469 22 E N 0.443 120.671 120.200 0.046 0.000 2.367 22 E HA 0.293 4.696 4.350 0.088 0.000 0.292 22 E C -0.110 176.557 176.600 0.112 0.000 0.900 22 E CA 0.262 56.715 56.400 0.089 0.000 0.807 22 E CB 1.209 30.995 29.700 0.144 0.000 1.337 22 E HN 0.808 nan 8.360 nan 0.000 0.394 23 G N 4.557 113.407 108.800 0.083 0.000 2.591 23 G HA2 -0.391 3.621 3.960 0.088 0.000 0.298 23 G HA3 -0.391 3.621 3.960 0.088 0.000 0.298 23 G C 0.618 175.562 174.900 0.075 0.000 1.195 23 G CA 0.549 45.696 45.100 0.079 0.000 0.989 23 G HN 0.563 nan 8.290 nan 0.000 0.551 24 K N 1.386 121.837 120.400 0.085 0.000 2.400 24 K HA 0.498 4.871 4.320 0.088 0.000 0.194 24 K C 1.382 178.034 176.600 0.088 0.000 1.033 24 K CA 0.531 56.865 56.287 0.079 0.000 1.021 24 K CB 0.266 32.805 32.500 0.066 0.000 0.808 24 K HN 0.764 nan 8.250 nan 0.000 0.505 25 A N 1.900 124.777 122.820 0.096 0.000 2.407 25 A HA 0.373 4.745 4.320 0.088 0.000 0.248 25 A C -0.331 177.246 177.584 -0.012 0.000 1.082 25 A CA -0.102 51.951 52.037 0.027 0.000 0.785 25 A CB 0.305 19.281 19.000 -0.040 0.000 1.020 25 A HN 0.167 nan 8.150 nan 0.000 0.489 26 R N -0.132 120.346 120.500 -0.036 0.000 2.771 26 R HA 0.744 5.137 4.340 0.088 0.000 0.274 26 R C -0.728 175.543 176.300 -0.049 0.000 0.987 26 R CA -0.428 55.656 56.100 -0.026 0.000 0.908 26 R CB 2.078 32.398 30.300 0.032 0.000 1.213 26 R HN 0.676 nan 8.270 nan 0.000 0.468 27 T N -0.129 114.390 114.554 -0.058 0.000 2.916 27 T HA 0.819 5.222 4.350 0.088 0.000 0.298 27 T C -0.584 174.085 174.700 -0.052 0.000 1.031 27 T CA 0.045 62.113 62.100 -0.053 0.000 0.993 27 T CB 1.423 70.234 68.868 -0.093 0.000 1.045 27 T HN 0.766 nan 8.240 nan 0.000 0.454 28 G N 1.953 110.746 108.800 -0.012 0.000 2.474 28 G HA2 0.638 4.650 3.960 0.088 0.000 0.234 28 G HA3 0.638 4.650 3.960 0.088 0.000 0.234 28 G C -0.792 174.116 174.900 0.015 0.000 1.204 28 G CA 0.099 45.163 45.100 -0.060 0.000 0.939 28 G HN 1.220 nan 8.290 nan 0.000 0.491 29 T N -1.918 112.638 114.554 0.004 0.000 2.894 29 T HA 0.717 5.120 4.350 0.088 0.000 0.309 29 T C -1.165 173.606 174.700 0.118 0.000 1.208 29 T CA -0.575 61.557 62.100 0.054 0.000 1.016 29 T CB 1.913 70.773 68.868 -0.014 0.000 1.192 29 T HN 0.643 nan 8.240 nan 0.000 0.491 30 I N 1.743 122.354 120.570 0.068 0.000 2.382 30 I HA 0.343 4.566 4.170 0.088 0.000 0.285 30 I C -0.044 176.009 176.117 -0.107 0.000 1.007 30 I CA -0.690 60.574 61.300 -0.062 0.000 1.142 30 I CB 1.670 39.609 38.000 -0.102 0.000 1.289 30 I HN 0.667 nan 8.210 nan 0.000 0.453 31 E N 7.631 127.740 120.200 -0.151 0.000 2.174 31 E HA 0.591 4.993 4.350 0.088 0.000 0.282 31 E C -0.739 175.818 176.600 -0.072 0.000 0.992 31 E CA -0.383 55.967 56.400 -0.084 0.000 0.803 31 E CB 1.867 31.529 29.700 -0.063 0.000 1.090 31 E HN 0.477 nan 8.360 nan 0.000 0.396 32 M N 1.469 121.065 119.600 -0.007 0.000 2.691 32 M HA 0.295 4.828 4.480 0.088 0.000 0.293 32 M C 0.790 177.112 176.300 0.038 0.000 1.259 32 M CA -0.842 54.491 55.300 0.055 0.000 0.827 32 M CB 1.768 34.428 32.600 0.101 0.000 1.753 32 M HN 0.252 nan 8.290 nan 0.000 0.465 33 K N 0.297 120.727 120.400 0.050 0.000 2.103 33 K HA -0.080 4.293 4.320 0.088 0.000 0.207 33 K C 1.423 178.014 176.600 -0.015 0.000 1.048 33 K CA 1.489 57.787 56.287 0.017 0.000 0.930 33 K CB -0.006 32.506 32.500 0.020 0.000 0.716 33 K HN 0.444 nan 8.250 nan 0.000 0.444 34 R N 0.086 120.574 120.500 -0.019 0.000 2.310 34 R HA 0.083 4.476 4.340 0.088 0.000 0.202 34 R C 0.390 176.662 176.300 -0.046 0.000 0.933 34 R CA 0.196 56.261 56.100 -0.059 0.000 1.054 34 R CB 0.695 30.941 30.300 -0.090 0.000 0.985 34 R HN 0.242 nan 8.270 nan 0.000 0.489 35 G N -0.660 108.129 108.800 -0.019 0.000 2.368 35 G HA2 0.014 4.026 3.960 0.088 0.000 0.302 35 G HA3 0.014 4.026 3.960 0.088 0.000 0.302 35 G C -1.552 173.347 174.900 -0.001 0.000 1.329 35 G CA -1.054 44.034 45.100 -0.020 0.000 0.935 35 G HN -0.087 nan 8.290 nan 0.000 0.590 36 V N 0.429 120.341 119.914 -0.003 0.000 2.472 36 V HA 0.649 4.821 4.120 0.088 0.000 0.290 36 V C 0.290 176.398 176.094 0.022 0.000 1.037 36 V CA -0.533 61.767 62.300 0.001 0.000 0.908 36 V CB 1.444 33.262 31.823 -0.008 0.000 0.985 36 V HN 0.614 nan 8.190 nan 0.000 0.454 37 I N 4.731 125.315 120.570 0.024 0.000 2.362 37 I HA 0.478 4.701 4.170 0.088 0.000 0.289 37 I C 0.255 176.398 176.117 0.044 0.000 0.994 37 I CA -0.468 60.856 61.300 0.041 0.000 1.158 37 I CB 1.334 39.354 38.000 0.034 0.000 1.315 37 I HN 0.498 nan 8.210 nan 0.000 0.451 38 R N 3.870 124.399 120.500 0.048 0.000 2.308 38 R HA 0.470 4.862 4.340 0.088 0.000 0.305 38 R C -0.122 176.214 176.300 0.060 0.000 1.053 38 R CA -0.342 55.785 56.100 0.045 0.000 0.957 38 R CB 1.193 31.512 30.300 0.032 0.000 1.022 38 R HN 0.668 nan 8.270 nan 0.000 0.461 39 T N 0.377 114.974 114.554 0.073 0.000 2.887 39 T HA 0.465 4.868 4.350 0.088 0.000 0.288 39 T C -2.665 172.064 174.700 0.049 0.000 1.021 39 T CA -2.848 59.303 62.100 0.086 0.000 1.000 39 T CB 2.216 71.170 68.868 0.143 0.000 1.034 39 T HN 0.185 nan 8.240 nan 0.000 0.467 40 P HA 0.418 nan 4.420 nan 0.000 0.266 40 P C -1.022 176.366 177.300 0.148 0.000 1.195 40 P CA -0.095 63.075 63.100 0.117 0.000 0.768 40 P CB 0.382 32.173 31.700 0.152 0.000 0.838 41 A N 3.188 126.124 122.820 0.193 0.000 2.374 41 A HA 0.714 5.086 4.320 0.088 0.000 0.317 41 A C -1.541 176.228 177.584 0.309 0.000 1.094 41 A CA -0.483 51.666 52.037 0.187 0.000 0.765 41 A CB 0.769 19.818 19.000 0.082 0.000 1.268 41 A HN 0.460 nan 8.150 nan 0.000 0.438 42 F N 1.935 121.971 119.950 0.144 0.000 2.467 42 F HA 0.707 5.284 4.527 0.083 0.000 0.336 42 F C -0.415 175.432 175.800 0.079 0.000 1.123 42 F CA -0.889 57.211 58.000 0.165 0.000 0.964 42 F CB 1.599 40.694 39.000 0.157 0.000 1.136 42 F HN 0.483 nan 8.300 nan 0.000 0.447 43 M N 8.295 127.351 119.600 -0.906 0.000 2.101 43 M HA 0.370 4.902 4.480 0.088 0.000 0.340 43 M C -2.512 173.282 176.300 -0.842 0.000 1.057 43 M CA -1.810 53.092 55.300 -0.663 0.000 0.984 43 M CB 1.417 33.742 32.600 -0.457 0.000 1.560 43 M HN 0.328 nan 8.290 nan 0.000 0.435 44 P HA 0.111 nan 4.420 nan 0.000 0.271 44 P C -0.761 176.377 177.300 -0.270 0.000 1.218 44 P CA -0.303 62.660 63.100 -0.228 0.000 0.780 44 P CB 0.659 32.287 31.700 -0.120 0.000 0.901 45 V N 2.845 122.651 119.914 -0.180 0.000 2.465 45 V HA 0.544 4.717 4.120 0.088 0.000 0.279 45 V C 1.083 177.080 176.094 -0.162 0.000 1.045 45 V CA 0.110 62.311 62.300 -0.165 0.000 0.938 45 V CB 1.136 32.898 31.823 -0.102 0.000 0.986 45 V HN 0.764 nan 8.190 nan 0.000 0.467 46 G N 2.168 110.858 108.800 -0.182 0.000 4.519 46 G HA2 0.291 4.303 3.960 0.088 0.000 0.336 46 G HA3 0.291 4.303 3.960 0.088 0.000 0.336 46 G C 0.648 175.456 174.900 -0.153 0.000 1.491 46 G CA -0.000 44.998 45.100 -0.169 0.000 1.008 46 G HN 0.644 nan 8.290 nan 0.000 0.515 47 T N 1.622 116.066 114.554 -0.182 0.000 2.570 47 T HA -0.185 4.218 4.350 0.088 0.000 0.266 47 T C 2.113 176.710 174.700 -0.171 0.000 1.071 47 T CA 2.125 64.054 62.100 -0.284 0.000 1.172 47 T CB 0.014 68.610 68.868 -0.453 0.000 0.864 47 T HN 0.573 nan 8.240 nan 0.000 0.421 48 A N 0.057 122.821 122.820 -0.095 0.000 3.258 48 A HA 0.690 5.063 4.320 0.088 0.000 0.275 48 A C 1.067 178.665 177.584 0.023 0.000 1.452 48 A CA 0.547 52.584 52.037 0.000 0.000 1.120 48 A CB -1.115 17.899 19.000 0.022 0.000 1.107 48 A HN 1.071 nan 8.150 nan 0.000 0.651 49 A N -0.832 121.996 122.820 0.014 0.000 2.872 49 A HA -0.090 4.283 4.320 0.088 0.000 0.273 49 A C 0.625 178.190 177.584 -0.031 0.000 1.442 49 A CA 1.425 53.484 52.037 0.037 0.000 0.801 49 A CB -2.229 16.892 19.000 0.200 0.000 1.031 49 A HN 2.091 nan 8.150 nan 0.000 0.582 50 T N -1.548 112.967 114.554 -0.064 0.000 3.159 50 T HA 0.475 4.878 4.350 0.088 0.000 0.343 50 T C -0.705 173.938 174.700 -0.094 0.000 1.364 50 T CA 0.295 62.349 62.100 -0.077 0.000 1.102 50 T CB 1.331 70.161 68.868 -0.062 0.000 1.263 50 T HN 1.165 nan 8.240 nan 0.000 0.477 51 V N 6.414 126.266 119.914 -0.104 0.000 2.405 51 V HA 0.303 4.476 4.120 0.088 0.000 0.264 51 V C 0.813 176.868 176.094 -0.065 0.000 1.048 51 V CA -0.512 61.725 62.300 -0.105 0.000 0.966 51 V CB 0.381 32.130 31.823 -0.123 0.000 1.015 51 V HN 0.818 nan 8.190 nan 0.000 0.477 52 K N 4.499 124.864 120.400 -0.059 0.000 2.511 52 K HA 0.086 4.459 4.320 0.088 0.000 0.277 52 K C 1.164 177.744 176.600 -0.033 0.000 1.025 52 K CA 0.854 57.115 56.287 -0.043 0.000 1.112 52 K CB 0.004 32.480 32.500 -0.040 0.000 0.859 52 K HN 1.109 nan 8.250 nan 0.000 0.485 53 A N 2.337 125.139 122.820 -0.030 0.000 2.979 53 A HA -0.199 4.174 4.320 0.088 0.000 0.260 53 A C -0.186 177.390 177.584 -0.013 0.000 1.282 53 A CA 0.886 52.907 52.037 -0.026 0.000 0.971 53 A CB -2.005 16.976 19.000 -0.031 0.000 1.124 53 A HN 0.566 nan 8.150 nan 0.000 0.826 54 L N -1.018 120.201 121.223 -0.008 0.000 2.431 54 L HA 0.458 4.851 4.340 0.088 0.000 0.266 54 L C 0.310 177.193 176.870 0.021 0.000 0.978 54 L CA -0.866 53.981 54.840 0.013 0.000 0.822 54 L CB 1.971 44.042 42.059 0.020 0.000 1.310 54 L HN 0.240 nan 8.230 nan 0.000 0.409 55 K N 2.431 122.856 120.400 0.041 0.000 2.202 55 K HA 0.193 4.566 4.320 0.088 0.000 0.264 55 K C -1.649 175.010 176.600 0.099 0.000 1.010 55 K CA -1.470 54.850 56.287 0.054 0.000 0.940 55 K CB 1.072 33.605 32.500 0.056 0.000 0.983 55 K HN 0.230 nan 8.250 nan 0.000 0.475 56 P HA -0.253 nan 4.420 nan 0.000 0.216 56 P C 0.724 178.202 177.300 0.297 0.000 1.150 56 P CA 1.389 64.661 63.100 0.287 0.000 0.843 56 P CB 0.113 32.007 31.700 0.324 0.000 0.787 57 E N -1.245 119.056 120.200 0.168 0.000 2.150 57 E HA -0.117 4.285 4.350 0.088 0.000 0.193 57 E C 1.264 177.947 176.600 0.138 0.000 0.985 57 E CA 1.388 57.863 56.400 0.125 0.000 0.814 57 E CB -1.378 28.368 29.700 0.076 0.000 0.752 57 E HN 0.160 nan 8.360 nan 0.000 0.466 58 T N 1.166 115.801 114.554 0.135 0.000 2.857 58 T HA -0.050 4.352 4.350 0.088 0.000 0.266 58 T C 2.102 176.893 174.700 0.152 0.000 1.048 58 T CA 1.059 63.237 62.100 0.129 0.000 1.139 58 T CB -0.120 68.811 68.868 0.106 0.000 0.874 58 T HN 0.024 nan 8.240 nan 0.000 0.455 59 V N 1.915 121.935 119.914 0.177 0.000 2.343 59 V HA -0.170 4.003 4.120 0.088 0.000 0.247 59 V C 2.674 178.938 176.094 0.283 0.000 1.051 59 V CA 1.672 64.084 62.300 0.186 0.000 1.036 59 V CB -0.565 31.334 31.823 0.128 0.000 0.654 59 V HN 0.253 nan 8.190 nan 0.000 0.451 60 R N 1.197 121.921 120.500 0.374 0.000 2.092 60 R HA -0.034 4.358 4.340 0.088 0.000 0.231 60 R C 2.124 178.530 176.300 0.177 0.000 1.119 60 R CA 1.826 58.101 56.100 0.292 0.000 0.970 60 R CB -1.053 29.326 30.300 0.132 0.000 0.864 60 R HN 0.429 nan 8.270 nan 0.000 0.440 61 A N -0.360 122.551 122.820 0.151 0.000 1.972 61 A HA -0.160 4.213 4.320 0.088 0.000 0.219 61 A C 2.111 179.781 177.584 0.143 0.000 1.169 61 A CA 2.062 54.175 52.037 0.127 0.000 0.635 61 A CB -1.192 17.880 19.000 0.120 0.000 0.810 61 A HN 0.637 nan 8.150 nan 0.000 0.446 62 T N -4.413 110.233 114.554 0.154 0.000 3.035 62 T HA 0.316 4.719 4.350 0.088 0.000 0.268 62 T C 1.442 176.233 174.700 0.153 0.000 1.109 62 T CA 1.459 63.649 62.100 0.150 0.000 1.119 62 T CB -0.068 68.880 68.868 0.133 0.000 0.900 62 T HN 1.661 nan 8.240 nan 0.000 0.503 63 G N 0.663 109.558 108.800 0.158 0.000 2.205 63 G HA2 0.111 4.124 3.960 0.088 0.000 0.180 63 G HA3 0.111 4.124 3.960 0.088 0.000 0.180 63 G C 0.262 175.261 174.900 0.166 0.000 1.004 63 G CA -0.174 45.014 45.100 0.146 0.000 0.670 63 G HN 1.078 nan 8.290 nan 0.000 0.496 64 A N 0.455 123.399 122.820 0.207 0.000 2.511 64 A HA 0.515 4.888 4.320 0.088 0.000 0.242 64 A C 1.007 178.777 177.584 0.311 0.000 1.069 64 A CA 1.055 53.231 52.037 0.233 0.000 0.763 64 A CB 0.277 19.395 19.000 0.197 0.000 1.001 64 A HN 0.175 nan 8.150 nan 0.000 0.498 65 D N 0.521 121.068 120.400 0.245 0.000 2.392 65 D HA 0.219 4.912 4.640 0.088 0.000 0.206 65 D C 0.207 176.719 176.300 0.353 0.000 1.046 65 D CA 0.807 54.952 54.000 0.241 0.000 0.865 65 D CB 0.476 41.355 40.800 0.132 0.000 0.969 65 D HN 0.586 nan 8.370 nan 0.000 0.509 66 I N 0.444 121.188 120.570 0.290 0.000 2.908 66 I HA 0.301 4.524 4.170 0.088 0.000 0.300 66 I C -1.764 174.284 176.117 -0.115 0.000 1.385 66 I CA -0.956 60.468 61.300 0.206 0.000 1.004 66 I CB 2.280 40.321 38.000 0.068 0.000 1.309 66 I HN -0.221 nan 8.210 nan 0.000 0.449 67 I N 3.925 124.299 120.570 -0.327 0.000 3.002 67 I HA 0.606 4.828 4.170 0.088 0.000 0.310 67 I C -1.839 174.067 176.117 -0.351 0.000 1.087 67 I CA -0.971 60.033 61.300 -0.493 0.000 1.017 67 I CB 2.104 39.587 38.000 -0.860 0.000 1.226 67 I HN 0.635 nan 8.210 nan 0.000 0.443 68 L N 2.464 123.499 121.223 -0.313 0.000 2.307 68 L HA 0.878 5.270 4.340 0.088 0.000 0.284 68 L C -0.079 176.680 176.870 -0.184 0.000 1.023 68 L CA -0.107 54.601 54.840 -0.220 0.000 0.810 68 L CB 1.402 43.353 42.059 -0.180 0.000 1.231 68 L HN 0.932 nan 8.230 nan 0.000 0.423 69 G N 2.790 111.510 108.800 -0.132 0.000 2.511 69 G HA2 0.410 4.423 3.960 0.088 0.000 0.318 69 G HA3 0.410 4.423 3.960 0.088 0.000 0.318 69 G C -1.350 173.534 174.900 -0.026 0.000 1.210 69 G CA -0.713 44.331 45.100 -0.094 0.000 0.969 69 G HN 0.600 nan 8.290 nan 0.000 0.484 70 N N -0.233 118.476 118.700 0.015 0.000 2.342 70 N HA 0.272 5.065 4.740 0.088 0.000 0.293 70 N C 0.804 176.405 175.510 0.152 0.000 1.026 70 N CA -0.441 52.679 53.050 0.117 0.000 0.857 70 N CB 2.221 40.830 38.487 0.203 0.000 1.256 70 N HN 0.361 nan 8.380 nan 0.000 0.484 71 T N 0.796 115.447 114.554 0.162 0.000 2.777 71 T HA -0.152 4.251 4.350 0.088 0.000 0.266 71 T C 1.562 176.356 174.700 0.158 0.000 1.040 71 T CA 1.173 63.357 62.100 0.139 0.000 1.141 71 T CB -0.297 68.662 68.868 0.152 0.000 0.868 71 T HN 0.551 nan 8.240 nan 0.000 0.444 72 Y N 1.802 122.153 120.300 0.085 0.000 2.049 72 Y HA -0.257 4.345 4.550 0.087 0.000 0.277 72 Y C 2.441 178.321 175.900 -0.033 0.000 1.143 72 Y CA 1.794 59.889 58.100 -0.008 0.000 1.115 72 Y CB -0.728 37.656 38.460 -0.126 0.000 0.975 72 Y HN 0.359 nan 8.280 nan 0.000 0.487 73 H N -0.308 118.753 119.070 -0.016 0.000 2.319 73 H HA -0.159 4.451 4.556 0.090 0.000 0.299 73 H C 2.317 177.569 175.328 -0.126 0.000 1.092 73 H CA 2.184 58.166 56.048 -0.109 0.000 1.302 73 H CB -0.726 29.056 29.762 0.034 0.000 1.373 73 H HN 0.335 nan 8.280 nan 0.000 0.497 74 L N 0.335 121.600 121.223 0.071 0.000 2.141 74 L HA -0.156 4.237 4.340 0.088 0.000 0.209 74 L C 2.475 179.302 176.870 -0.072 0.000 1.094 74 L CA 1.310 56.151 54.840 0.003 0.000 0.763 74 L CB -0.493 41.573 42.059 0.012 0.000 0.908 74 L HN 0.443 nan 8.230 nan 0.000 0.437 75 M N -1.241 118.299 119.600 -0.100 0.000 2.296 75 M HA -0.142 4.390 4.480 0.088 0.000 0.265 75 M C 1.879 178.032 176.300 -0.245 0.000 1.064 75 M CA 1.796 57.009 55.300 -0.145 0.000 1.109 75 M CB -0.336 32.196 32.600 -0.114 0.000 1.396 75 M HN 0.147 nan 8.290 nan 0.000 0.430 76 L N -0.200 120.848 121.223 -0.293 0.000 2.102 76 L HA 0.185 4.577 4.340 0.088 0.000 0.202 76 L C 1.483 178.261 176.870 -0.154 0.000 1.076 76 L CA 0.565 55.215 54.840 -0.316 0.000 0.761 76 L CB -0.051 41.792 42.059 -0.360 0.000 0.921 76 L HN 0.347 nan 8.230 nan 0.000 0.444 77 R N 0.196 120.636 120.500 -0.100 0.000 2.522 77 R HA 0.220 4.613 4.340 0.088 0.000 0.283 77 R C -2.333 173.966 176.300 -0.002 0.000 1.074 77 R CA -1.165 54.914 56.100 -0.035 0.000 0.925 77 R CB 2.108 32.405 30.300 -0.005 0.000 1.205 77 R HN -0.258 nan 8.270 nan 0.000 0.436 78 P HA 0.172 nan 4.420 nan 0.000 0.249 78 P C -0.130 177.121 177.300 -0.082 0.000 1.229 78 P CA 0.530 63.612 63.100 -0.029 0.000 0.788 78 P CB 0.642 32.336 31.700 -0.010 0.000 1.072 79 G N -0.396 108.342 108.800 -0.105 0.000 2.841 79 G HA2 0.118 4.131 3.960 0.088 0.000 0.684 79 G HA3 0.118 4.131 3.960 0.088 0.000 0.684 79 G C 0.573 175.395 174.900 -0.130 0.000 1.273 79 G CA -0.393 44.639 45.100 -0.112 0.000 0.811 79 G HN 0.140 nan 8.290 nan 0.000 0.631 80 A N 1.102 123.857 122.820 -0.107 0.000 1.873 80 A HA 0.135 4.508 4.320 0.088 0.000 0.215 80 A C 2.086 179.606 177.584 -0.106 0.000 1.186 80 A CA 2.433 54.410 52.037 -0.100 0.000 0.616 80 A CB -0.412 18.548 19.000 -0.067 0.000 0.823 80 A HN 0.873 nan 8.150 nan 0.000 0.442 81 E N -0.536 119.613 120.200 -0.086 0.000 2.110 81 E HA -0.175 4.228 4.350 0.088 0.000 0.193 81 E C 2.145 178.686 176.600 -0.099 0.000 0.988 81 E CA 1.398 57.752 56.400 -0.077 0.000 0.804 81 E CB -0.237 29.430 29.700 -0.055 0.000 0.745 81 E HN 0.628 nan 8.360 nan 0.000 0.458 82 R N 0.354 120.783 120.500 -0.118 0.000 2.073 82 R HA -0.084 4.309 4.340 0.088 0.000 0.234 82 R C 2.198 178.366 176.300 -0.219 0.000 1.134 82 R CA 1.347 57.361 56.100 -0.143 0.000 0.952 82 R CB -0.331 29.884 30.300 -0.142 0.000 0.850 82 R HN 0.177 nan 8.270 nan 0.000 0.433 83 I N 0.893 121.286 120.570 -0.295 0.000 2.286 83 I HA -0.258 3.965 4.170 0.088 0.000 0.248 83 I C 2.526 178.506 176.117 -0.230 0.000 1.115 83 I CA 1.268 62.325 61.300 -0.405 0.000 1.392 83 I CB -0.333 37.430 38.000 -0.395 0.000 1.065 83 I HN 0.362 nan 8.210 nan 0.000 0.418 84 A N 0.544 123.266 122.820 -0.163 0.000 1.877 84 A HA -0.267 4.105 4.320 0.088 0.000 0.216 84 A C 2.390 179.919 177.584 -0.091 0.000 1.186 84 A CA 1.852 53.816 52.037 -0.120 0.000 0.620 84 A CB -0.535 18.396 19.000 -0.115 0.000 0.822 84 A HN 0.338 nan 8.150 nan 0.000 0.443 85 K N -0.902 119.445 120.400 -0.089 0.000 2.147 85 K HA -0.106 4.266 4.320 0.088 0.000 0.205 85 K C 1.171 177.742 176.600 -0.049 0.000 1.049 85 K CA 1.138 57.389 56.287 -0.060 0.000 0.936 85 K CB -0.182 32.284 32.500 -0.057 0.000 0.722 85 K HN 0.315 nan 8.250 nan 0.000 0.446 86 L N -0.156 121.023 121.223 -0.074 0.000 2.599 86 L HA 0.112 4.504 4.340 0.088 0.000 0.230 86 L C 1.310 178.188 176.870 0.013 0.000 1.141 86 L CA 1.502 56.325 54.840 -0.029 0.000 0.877 86 L CB 0.196 42.216 42.059 -0.065 0.000 1.009 86 L HN 0.540 nan 8.230 nan 0.000 0.447 87 G N -2.116 106.677 108.800 -0.010 0.000 2.192 87 G HA2 0.129 4.142 3.960 0.088 0.000 0.193 87 G HA3 0.129 4.142 3.960 0.088 0.000 0.193 87 G C 0.651 175.570 174.900 0.031 0.000 0.999 87 G CA -0.255 44.856 45.100 0.018 0.000 0.659 87 G HN 0.882 nan 8.290 nan 0.000 0.503 88 G N -1.612 107.187 108.800 -0.000 0.000 2.629 88 G HA2 0.207 4.220 3.960 0.088 0.000 0.686 88 G HA3 0.207 4.220 3.960 0.088 0.000 0.686 88 G C 0.439 175.387 174.900 0.080 0.000 1.232 88 G CA -0.019 45.096 45.100 0.025 0.000 0.803 88 G HN 1.509 nan 8.290 nan 0.000 0.638 89 L N 0.593 121.848 121.223 0.053 0.000 2.079 89 L HA 0.037 4.430 4.340 0.088 0.000 0.210 89 L C 2.517 179.457 176.870 0.116 0.000 1.081 89 L CA 3.164 58.047 54.840 0.072 0.000 0.752 89 L CB -0.895 41.136 42.059 -0.047 0.000 0.896 89 L HN 0.770 nan 8.230 nan 0.000 0.433 90 H N -1.713 117.450 119.070 0.154 0.000 2.290 90 H HA -0.157 4.450 4.556 0.086 0.000 0.298 90 H C 2.551 177.970 175.328 0.153 0.000 1.087 90 H CA 2.056 58.207 56.048 0.172 0.000 1.291 90 H CB -0.461 29.374 29.762 0.123 0.000 1.369 90 H HN 0.412 nan 8.280 nan 0.000 0.492 91 S N -0.453 115.404 115.700 0.261 0.000 2.368 91 S HA -0.184 4.338 4.470 0.088 0.000 0.224 91 S C 2.024 176.748 174.600 0.207 0.000 1.029 91 S CA 1.023 59.334 58.200 0.185 0.000 0.988 91 S CB -0.494 62.793 63.200 0.145 0.000 0.838 91 S HN 0.344 nan 8.310 nan 0.000 0.462 92 F N 3.212 123.195 119.950 0.054 0.000 2.043 92 F HA -0.121 4.463 4.527 0.096 0.000 0.297 92 F C 2.215 178.037 175.800 0.037 0.000 1.121 92 F CA 2.332 60.352 58.000 0.032 0.000 1.199 92 F CB -0.590 38.418 39.000 0.014 0.000 0.968 92 F HN 0.395 nan 8.300 nan 0.000 0.478 93 M N -1.433 118.199 119.600 0.053 0.000 2.556 93 M HA 0.384 4.916 4.480 0.088 0.000 0.245 93 M C 1.326 177.647 176.300 0.036 0.000 1.128 93 M CA 1.039 56.303 55.300 -0.060 0.000 1.069 93 M CB -0.049 32.554 32.600 0.005 0.000 1.469 93 M HN 0.254 nan 8.290 nan 0.000 0.494 94 G N 1.393 110.254 108.800 0.102 0.000 2.149 94 G HA2 -0.239 3.774 3.960 0.088 0.000 0.235 94 G HA3 -0.239 3.774 3.960 0.088 0.000 0.235 94 G C -0.731 174.287 174.900 0.196 0.000 1.018 94 G CA 0.153 45.321 45.100 0.114 0.000 0.728 94 G HN 0.762 nan 8.290 nan 0.000 0.508 95 W N 1.865 123.198 121.300 0.054 0.000 2.411 95 W HA 0.520 5.222 4.660 0.071 0.000 0.317 95 W C 0.088 176.714 176.519 0.178 0.000 1.030 95 W CA -0.138 57.252 57.345 0.074 0.000 1.239 95 W CB 1.272 30.752 29.460 0.032 0.000 1.304 95 W HN 0.266 nan 8.180 nan 0.000 0.437 96 D N 3.698 123.928 120.400 -0.283 0.000 2.340 96 D HA 0.095 4.787 4.640 0.088 0.000 0.217 96 D C 0.333 176.453 176.300 -0.300 0.000 1.081 96 D CA 0.085 53.977 54.000 -0.179 0.000 0.842 96 D CB 0.340 41.040 40.800 -0.166 0.000 0.934 96 D HN 0.217 nan 8.370 nan 0.000 0.511 97 R N 0.034 120.149 120.500 -0.642 0.000 2.719 97 R HA 0.514 4.907 4.340 0.088 0.000 0.233 97 R C -2.458 174.029 176.300 0.310 0.000 1.257 97 R CA -2.092 53.834 56.100 -0.289 0.000 1.109 97 R CB 0.180 30.179 30.300 -0.502 0.000 1.447 97 R HN -0.057 nan 8.270 nan 0.000 0.537 98 P HA 0.007 nan 4.420 nan 0.000 0.267 98 P C -0.838 176.739 177.300 0.462 0.000 1.200 98 P CA 0.803 64.121 63.100 0.363 0.000 0.772 98 P CB 0.427 32.246 31.700 0.198 0.000 0.855 99 I N 2.630 123.385 120.570 0.308 0.000 2.499 99 I HA 0.348 4.570 4.170 0.088 0.000 0.288 99 I C -0.413 175.696 176.117 -0.014 0.000 1.048 99 I CA -0.876 60.469 61.300 0.074 0.000 1.062 99 I CB 1.904 39.869 38.000 -0.059 0.000 1.238 99 I HN 0.176 nan 8.210 nan 0.000 0.426 100 L N 6.545 127.699 121.223 -0.115 0.000 2.309 100 L HA 0.644 5.037 4.340 0.088 0.000 0.282 100 L C -0.166 176.637 176.870 -0.112 0.000 1.036 100 L CA -0.042 54.701 54.840 -0.163 0.000 0.806 100 L CB 1.635 43.514 42.059 -0.300 0.000 1.220 100 L HN 0.708 nan 8.230 nan 0.000 0.429 101 T N -0.172 114.345 114.554 -0.063 0.000 2.807 101 T HA 0.364 4.766 4.350 0.088 0.000 0.279 101 T C -0.386 174.331 174.700 0.028 0.000 0.993 101 T CA -0.876 61.217 62.100 -0.011 0.000 0.970 101 T CB 1.586 70.465 68.868 0.018 0.000 0.950 101 T HN 0.520 nan 8.240 nan 0.000 0.441 102 D N 1.171 121.607 120.400 0.060 0.000 2.360 102 D HA 0.197 4.890 4.640 0.088 0.000 0.242 102 D C 1.437 177.812 176.300 0.125 0.000 1.184 102 D CA -0.376 53.681 54.000 0.095 0.000 0.930 102 D CB 1.340 42.209 40.800 0.115 0.000 1.161 102 D HN 0.613 nan 8.370 nan 0.000 0.447 103 S N 0.478 116.265 115.700 0.145 0.000 2.527 103 S HA 0.196 4.719 4.470 0.088 0.000 0.222 103 S C 1.627 176.412 174.600 0.309 0.000 0.985 103 S CA 0.545 58.883 58.200 0.230 0.000 0.921 103 S CB 0.149 63.510 63.200 0.268 0.000 0.772 103 S HN 0.856 nan 8.310 nan 0.000 0.529 104 G N 0.709 109.649 108.800 0.233 0.000 2.268 104 G HA2 -0.256 3.756 3.960 0.088 0.000 0.240 104 G HA3 -0.256 3.756 3.960 0.088 0.000 0.240 104 G C 1.062 176.054 174.900 0.154 0.000 1.010 104 G CA 0.157 45.401 45.100 0.239 0.000 0.618 104 G HN 0.894 nan 8.290 nan 0.000 0.516 105 G N 0.088 108.968 108.800 0.133 0.000 2.459 105 G HA2 -0.120 3.893 3.960 0.088 0.000 0.217 105 G HA3 -0.120 3.893 3.960 0.088 0.000 0.217 105 G C 1.451 176.299 174.900 -0.088 0.000 1.183 105 G CA 1.820 46.849 45.100 -0.119 0.000 0.776 105 G HN 0.784 nan 8.290 nan 0.000 0.552 106 Y N 1.454 121.657 120.300 -0.162 0.000 2.181 106 Y HA -0.155 4.447 4.550 0.087 0.000 0.288 106 Y C 3.036 178.817 175.900 -0.199 0.000 1.146 106 Y CA 2.139 60.151 58.100 -0.147 0.000 1.164 106 Y CB -0.360 38.036 38.460 -0.106 0.000 0.982 106 Y HN 0.222 nan 8.280 nan 0.000 0.515 107 Q N -0.302 119.290 119.800 -0.345 0.000 2.084 107 Q HA -0.126 4.266 4.340 0.088 0.000 0.202 107 Q C 2.456 177.864 176.000 -0.986 0.000 0.978 107 Q CA 1.928 57.354 55.803 -0.627 0.000 0.844 107 Q CB -0.813 27.660 28.738 -0.440 0.000 0.898 107 Q HN 0.411 nan 8.270 nan 0.000 0.426 108 V N 0.078 119.437 119.914 -0.926 0.000 2.287 108 V HA -0.211 3.961 4.120 0.088 0.000 0.248 108 V C 1.409 177.177 176.094 -0.543 0.000 1.053 108 V CA 1.314 63.065 62.300 -0.914 0.000 1.027 108 V CB -0.399 31.042 31.823 -0.637 0.000 0.646 108 V HN 0.435 nan 8.190 nan 0.000 0.447 109 M N -0.192 119.177 119.600 -0.385 0.000 3.092 109 M HA 0.210 4.743 4.480 0.088 0.000 0.228 109 M C 0.779 176.885 176.300 -0.323 0.000 1.301 109 M CA 0.490 55.637 55.300 -0.255 0.000 1.216 109 M CB -0.283 32.235 32.600 -0.136 0.000 1.356 109 M HN 0.376 nan 8.290 nan 0.000 0.463 110 S N -1.416 114.044 115.700 -0.401 0.000 2.660 110 S HA 0.277 4.800 4.470 0.088 0.000 0.262 110 S C 0.178 174.610 174.600 -0.280 0.000 1.006 110 S CA -0.257 57.715 58.200 -0.379 0.000 1.174 110 S CB 0.940 63.770 63.200 -0.618 0.000 0.939 110 S HN 0.308 nan 8.310 nan 0.000 0.438 116 K N 2.010 122.496 120.400 0.143 0.000 2.394 116 K HA 0.460 4.832 4.320 0.088 0.000 0.260 116 K C -0.652 176.038 176.600 0.151 0.000 0.967 116 K CA -0.525 55.834 56.287 0.121 0.000 0.855 116 K CB 1.212 33.772 32.500 0.101 0.000 1.101 116 K HN 0.707 nan 8.250 nan 0.000 0.433 117 Q N 1.933 121.819 119.800 0.144 0.000 2.256 117 Q HA 0.350 4.742 4.340 0.088 0.000 0.257 117 Q C -0.786 175.324 176.000 0.183 0.000 0.936 117 Q CA -0.689 55.228 55.803 0.190 0.000 0.903 117 Q CB 2.032 30.873 28.738 0.172 0.000 1.263 117 Q HN 0.799 nan 8.270 nan 0.000 0.440 118 S N -0.116 115.733 115.700 0.249 0.000 2.688 118 S HA 0.221 4.743 4.470 0.088 0.000 0.275 118 S C 0.371 175.183 174.600 0.353 0.000 1.175 118 S CA -0.776 57.558 58.200 0.224 0.000 0.818 118 S CB 1.303 64.603 63.200 0.167 0.000 1.157 118 S HN 0.637 nan 8.310 nan 0.000 0.482 119 E N 0.437 120.807 120.200 0.284 0.000 2.265 119 E HA -0.063 4.339 4.350 0.088 0.000 0.196 119 E C 1.322 178.233 176.600 0.519 0.000 0.996 119 E CA 1.495 58.122 56.400 0.377 0.000 0.832 119 E CB -0.106 29.725 29.700 0.218 0.000 0.756 119 E HN 0.555 nan 8.360 nan 0.000 0.491 120 E N -0.548 119.836 120.200 0.306 0.000 2.299 120 E HA 0.172 4.574 4.350 0.088 0.000 0.193 120 E C 0.968 177.576 176.600 0.014 0.000 0.998 120 E CA 0.901 57.395 56.400 0.157 0.000 0.851 120 E CB 0.605 30.355 29.700 0.084 0.000 0.795 120 E HN 0.293 nan 8.360 nan 0.000 0.492 121 G N -0.408 108.468 108.800 0.125 0.000 2.439 121 G HA2 0.112 4.124 3.960 0.088 0.000 0.186 121 G HA3 0.112 4.124 3.960 0.088 0.000 0.186 121 G C -1.599 173.422 174.900 0.202 0.000 1.260 121 G CA -0.153 44.920 45.100 -0.046 0.000 1.020 121 G HN 0.119 nan 8.290 nan 0.000 0.470 122 V N 0.039 120.064 119.914 0.184 0.000 2.841 122 V HA 0.827 5.000 4.120 0.088 0.000 0.310 122 V C -0.731 175.552 176.094 0.315 0.000 1.090 122 V CA 0.154 62.616 62.300 0.269 0.000 0.930 122 V CB 2.053 34.062 31.823 0.309 0.000 1.014 122 V HN 1.185 nan 8.190 nan 0.000 0.425 123 T N 7.246 121.983 114.554 0.306 0.000 2.829 123 T HA 0.812 5.214 4.350 0.088 0.000 0.280 123 T C -0.962 173.990 174.700 0.421 0.000 0.999 123 T CA -0.102 62.169 62.100 0.286 0.000 0.983 123 T CB 1.055 69.995 68.868 0.120 0.000 0.968 123 T HN 0.714 nan 8.240 nan 0.000 0.446 124 F N -0.102 119.912 119.950 0.106 0.000 2.650 124 F HA 0.838 5.417 4.527 0.087 0.000 0.320 124 F C -0.490 175.365 175.800 0.092 0.000 1.091 124 F CA -1.611 56.456 58.000 0.110 0.000 0.962 124 F CB 1.113 40.209 39.000 0.160 0.000 1.363 124 F HN 0.271 nan 8.300 nan 0.000 0.482 132 R N 2.906 123.171 120.500 -0.392 0.000 2.638 132 R HA 0.039 4.432 4.340 0.088 0.000 0.351 132 R C -0.299 175.606 176.300 -0.658 0.000 0.871 132 R CA 0.953 56.800 56.100 -0.423 0.000 1.091 132 R CB -0.037 30.128 30.300 -0.225 0.000 0.900 132 R HN 0.409 nan 8.270 nan 0.000 0.405 133 H N 2.956 121.703 119.070 -0.539 0.000 2.747 133 H HA 0.324 4.934 4.556 0.088 0.000 0.371 133 H C -0.397 174.591 175.328 -0.566 0.000 1.161 133 H CA -0.922 54.734 56.048 -0.653 0.000 1.167 133 H CB 1.901 31.011 29.762 -1.087 0.000 1.732 133 H HN 0.445 nan 8.280 nan 0.000 0.544 134 M N 1.949 121.479 119.600 -0.117 0.000 2.602 134 M HA 0.596 5.129 4.480 0.088 0.000 0.312 134 M C -2.144 174.219 176.300 0.104 0.000 1.181 134 M CA -0.854 54.460 55.300 0.022 0.000 0.910 134 M CB 2.111 34.702 32.600 -0.015 0.000 1.723 134 M HN 0.283 nan 8.290 nan 0.000 0.459 135 L N 2.562 123.857 121.223 0.120 0.000 2.464 135 L HA 0.908 5.301 4.340 0.088 0.000 0.266 135 L C -1.178 175.442 176.870 -0.417 0.000 0.965 135 L CA 0.470 55.268 54.840 -0.070 0.000 0.833 135 L CB 2.298 44.439 42.059 0.136 0.000 1.296 135 L HN 1.137 nan 8.230 nan 0.000 0.405 136 S N 3.109 118.378 115.700 -0.718 0.000 2.685 136 S HA 0.730 5.253 4.470 0.088 0.000 0.282 136 S C -2.608 171.310 174.600 -1.138 0.000 1.159 136 S CA -1.195 56.458 58.200 -0.912 0.000 0.833 136 S CB 1.775 64.711 63.200 -0.441 0.000 1.151 136 S HN 0.369 nan 8.310 nan 0.000 0.485 137 P HA -0.054 nan 4.420 nan 0.000 0.215 137 P C 0.920 178.079 177.300 -0.234 0.000 1.157 137 P CA 1.476 64.337 63.100 -0.398 0.000 0.868 137 P CB -0.022 31.580 31.700 -0.165 0.000 0.788 138 E N -0.985 119.094 120.200 -0.202 0.000 2.077 138 E HA -0.192 4.211 4.350 0.088 0.000 0.193 138 E C 2.132 178.663 176.600 -0.115 0.000 0.989 138 E CA 1.054 57.389 56.400 -0.109 0.000 0.800 138 E CB -0.570 29.079 29.700 -0.085 0.000 0.746 138 E HN 0.009 nan 8.360 nan 0.000 0.452 139 R N 0.365 120.756 120.500 -0.182 0.000 2.115 139 R HA 0.032 4.425 4.340 0.088 0.000 0.226 139 R C 2.220 178.448 176.300 -0.120 0.000 1.100 139 R CA 1.535 57.552 56.100 -0.138 0.000 0.980 139 R CB -0.800 29.408 30.300 -0.153 0.000 0.875 139 R HN 0.142 nan 8.270 nan 0.000 0.445 140 S N -0.132 115.444 115.700 -0.207 0.000 2.356 140 S HA -0.054 4.469 4.470 0.088 0.000 0.223 140 S C 1.832 176.447 174.600 0.025 0.000 1.032 140 S CA 1.303 59.447 58.200 -0.093 0.000 1.005 140 S CB -0.221 62.911 63.200 -0.113 0.000 0.867 140 S HN 0.321 nan 8.310 nan 0.000 0.449 141 I N 1.966 122.558 120.570 0.037 0.000 2.286 141 I HA -0.114 4.108 4.170 0.088 0.000 0.248 141 I C 2.573 178.753 176.117 0.105 0.000 1.115 141 I CA 1.524 62.893 61.300 0.114 0.000 1.392 141 I CB -1.550 36.534 38.000 0.139 0.000 1.065 141 I HN 0.573 nan 8.210 nan 0.000 0.418 142 E N 1.313 121.545 120.200 0.053 0.000 2.072 142 E HA -0.193 4.210 4.350 0.088 0.000 0.191 142 E C 2.412 179.067 176.600 0.092 0.000 0.985 142 E CA 1.030 57.474 56.400 0.074 0.000 0.801 142 E CB 0.016 29.730 29.700 0.025 0.000 0.750 142 E HN 0.436 nan 8.360 nan 0.000 0.452 143 I N 0.970 121.568 120.570 0.046 0.000 2.179 143 I HA -0.304 3.919 4.170 0.088 0.000 0.242 143 I C 2.579 178.723 176.117 0.045 0.000 1.088 143 I CA 1.327 62.644 61.300 0.028 0.000 1.357 143 I CB -0.278 37.732 38.000 0.017 0.000 1.051 143 I HN 0.206 nan 8.210 nan 0.000 0.409 144 Q N -0.524 119.325 119.800 0.082 0.000 2.170 144 Q HA -0.275 4.117 4.340 0.088 0.000 0.203 144 Q C 2.087 178.152 176.000 0.108 0.000 0.976 144 Q CA 1.673 57.533 55.803 0.094 0.000 0.858 144 Q CB -0.314 28.501 28.738 0.128 0.000 0.907 144 Q HN 0.579 nan 8.270 nan 0.000 0.433 145 H N 0.802 119.893 119.070 0.034 0.000 2.326 145 H HA -0.037 4.572 4.556 0.089 0.000 0.301 145 H C 1.767 177.098 175.328 0.005 0.000 1.081 145 H CA 1.351 57.406 56.048 0.011 0.000 1.334 145 H CB -0.175 29.574 29.762 -0.021 0.000 1.385 145 H HN 0.110 nan 8.280 nan 0.000 0.504 146 L N -0.094 121.031 121.223 -0.163 0.000 2.083 146 L HA -0.156 4.237 4.340 0.088 0.000 0.209 146 L C 2.402 179.175 176.870 -0.162 0.000 1.083 146 L CA 0.989 55.701 54.840 -0.214 0.000 0.752 146 L CB -0.352 41.654 42.059 -0.088 0.000 0.899 146 L HN 0.330 nan 8.230 nan 0.000 0.433 147 L N -0.488 120.682 121.223 -0.089 0.000 2.291 147 L HA -0.005 4.388 4.340 0.088 0.000 0.214 147 L C 1.468 178.324 176.870 -0.023 0.000 1.120 147 L CA 0.785 55.590 54.840 -0.058 0.000 0.799 147 L CB -0.620 41.421 42.059 -0.029 0.000 0.925 147 L HN 0.531 nan 8.230 nan 0.000 0.446 148 G N 0.303 109.089 108.800 -0.023 0.000 2.142 148 G HA2 -0.274 3.739 3.960 0.088 0.000 0.225 148 G HA3 -0.274 3.739 3.960 0.088 0.000 0.225 148 G C 0.332 175.340 174.900 0.180 0.000 1.015 148 G CA 0.356 45.493 45.100 0.062 0.000 0.716 148 G HN 0.332 nan 8.290 nan 0.000 0.508 149 S N -0.539 115.235 115.700 0.123 0.000 2.558 149 S HA 0.282 4.804 4.470 0.088 0.000 0.288 149 S C 1.371 176.079 174.600 0.180 0.000 1.318 149 S CA 0.758 59.040 58.200 0.136 0.000 1.056 149 S CB 0.497 63.749 63.200 0.088 0.000 0.853 149 S HN 0.295 nan 8.310 nan 0.000 0.505 150 D N 2.789 123.298 120.400 0.183 0.000 2.216 150 D HA 0.146 4.838 4.640 0.088 0.000 0.208 150 D C 0.190 176.556 176.300 0.110 0.000 0.960 150 D CA 0.935 55.033 54.000 0.164 0.000 0.861 150 D CB 0.234 41.139 40.800 0.175 0.000 0.985 150 D HN 0.499 nan 8.370 nan 0.000 0.493 151 I N 2.219 122.792 120.570 0.005 0.000 2.382 151 I HA 0.147 4.370 4.170 0.088 0.000 0.285 151 I C -0.575 175.465 176.117 -0.129 0.000 1.007 151 I CA -0.570 60.633 61.300 -0.161 0.000 1.142 151 I CB 2.392 40.119 38.000 -0.454 0.000 1.289 151 I HN -0.350 nan 8.210 nan 0.000 0.453 152 V N 6.756 126.651 119.914 -0.031 0.000 2.465 152 V HA 0.364 4.537 4.120 0.088 0.000 0.279 152 V C 0.427 176.508 176.094 -0.022 0.000 1.045 152 V CA -0.494 61.832 62.300 0.044 0.000 0.938 152 V CB 1.417 33.377 31.823 0.229 0.000 0.986 152 V HN 0.569 nan 8.190 nan 0.000 0.467 153 M N 3.641 123.252 119.600 0.017 0.000 2.264 153 M HA 0.524 5.057 4.480 0.088 0.000 0.352 153 M C 0.347 176.686 176.300 0.063 0.000 1.173 153 M CA -0.529 54.788 55.300 0.028 0.000 1.075 153 M CB 1.228 33.858 32.600 0.051 0.000 1.621 153 M HN 0.738 nan 8.290 nan 0.000 0.457 154 A N 2.899 125.728 122.820 0.016 0.000 2.466 154 A HA 0.259 4.632 4.320 0.088 0.000 0.238 154 A C -0.490 177.183 177.584 0.149 0.000 1.074 154 A CA -0.251 51.834 52.037 0.080 0.000 0.774 154 A CB -0.048 18.935 19.000 -0.030 0.000 1.015 154 A HN 0.742 nan 8.150 nan 0.000 0.498 155 F N 2.831 122.826 119.950 0.075 0.000 2.444 155 F HA 0.376 4.955 4.527 0.087 0.000 0.360 155 F C 0.329 176.268 175.800 0.231 0.000 1.106 155 F CA -0.049 58.000 58.000 0.081 0.000 1.170 155 F CB 0.420 39.397 39.000 -0.038 0.000 1.113 155 F HN 0.771 nan 8.300 nan 0.000 0.521 156 D N 3.831 124.051 120.400 -0.299 0.000 2.727 156 D HA 0.266 4.959 4.640 0.088 0.000 0.264 156 D C -1.537 174.673 176.300 -0.151 0.000 1.101 156 D CA -0.744 53.214 54.000 -0.070 0.000 1.122 156 D CB 1.309 42.070 40.800 -0.065 0.000 1.390 156 D HN 0.577 nan 8.370 nan 0.000 0.606 157 E N -0.543 119.621 120.200 -0.060 0.000 2.220 157 E HA 0.367 4.769 4.350 0.088 0.000 0.256 157 E C -1.429 175.145 176.600 -0.043 0.000 0.881 157 E CA -0.834 55.537 56.400 -0.048 0.000 0.766 157 E CB 1.343 30.975 29.700 -0.113 0.000 1.187 157 E HN 0.513 nan 8.360 nan 0.000 0.419 158 C N 5.291 124.599 119.300 0.013 0.000 2.416 158 C HA 0.294 4.807 4.460 0.088 0.000 0.355 158 C C 0.368 175.388 174.990 0.051 0.000 1.211 158 C CA -0.184 58.849 59.018 0.025 0.000 1.699 158 C CB -1.287 26.522 27.740 0.115 0.000 2.310 158 C HN 0.709 nan 8.230 nan 0.000 0.539 159 T N 9.493 124.058 114.554 0.018 0.000 2.871 159 T HA 0.141 4.544 4.350 0.088 0.000 0.296 159 T C -2.111 172.634 174.700 0.075 0.000 0.998 159 T CA -0.066 62.057 62.100 0.038 0.000 1.162 159 T CB 0.196 69.088 68.868 0.040 0.000 0.947 159 T HN 0.614 nan 8.240 nan 0.000 0.536 160 P HA 0.150 nan 4.420 nan 0.000 0.269 160 P C -1.122 176.252 177.300 0.123 0.000 1.209 160 P CA -0.363 62.794 63.100 0.095 0.000 0.776 160 P CB 0.313 32.045 31.700 0.053 0.000 0.876 161 Y N 4.041 124.349 120.300 0.013 0.000 2.352 161 Y HA 0.495 5.098 4.550 0.088 0.000 0.339 161 Y C -2.070 173.834 175.900 0.006 0.000 0.992 161 Y CA -2.342 55.758 58.100 -0.001 0.000 1.100 161 Y CB 0.836 39.284 38.460 -0.019 0.000 1.192 161 Y HN 0.361 nan 8.280 nan 0.000 0.458 162 P HA 0.626 nan 4.420 nan 0.000 0.278 162 P C -1.789 175.372 177.300 -0.232 0.000 1.258 162 P CA -0.562 62.013 63.100 -0.875 0.000 0.811 162 P CB 1.674 32.871 31.700 -0.839 0.000 1.063 163 A N 0.573 123.359 122.820 -0.057 0.000 2.449 163 A HA 0.612 4.985 4.320 0.088 0.000 0.302 163 A C 0.189 177.900 177.584 0.212 0.000 1.048 163 A CA -0.541 51.547 52.037 0.086 0.000 0.708 163 A CB 0.991 20.077 19.000 0.143 0.000 1.274 163 A HN 0.668 nan 8.150 nan 0.000 0.410 164 T N 0.329 114.954 114.554 0.118 0.000 2.898 164 T HA 0.389 4.792 4.350 0.088 0.000 0.301 164 T C -1.876 172.837 174.700 0.021 0.000 1.049 164 T CA -1.015 61.129 62.100 0.073 0.000 1.095 164 T CB 0.630 69.498 68.868 -0.000 0.000 0.976 164 T HN 0.261 nan 8.240 nan 0.000 0.539 165 P HA -0.119 nan 4.420 nan 0.000 0.216 165 P C 1.936 179.109 177.300 -0.212 0.000 1.150 165 P CA 1.075 63.847 63.100 -0.546 0.000 0.837 165 P CB -0.057 31.220 31.700 -0.705 0.000 0.786 166 S N -0.832 114.787 115.700 -0.135 0.000 2.356 166 S HA -0.169 4.354 4.470 0.088 0.000 0.223 166 S C 2.033 176.608 174.600 -0.042 0.000 1.032 166 S CA 1.179 59.331 58.200 -0.080 0.000 1.005 166 S CB -0.498 62.665 63.200 -0.063 0.000 0.867 166 S HN -0.018 nan 8.310 nan 0.000 0.449 167 R N 0.394 120.883 120.500 -0.017 0.000 2.092 167 R HA 0.050 4.443 4.340 0.088 0.000 0.231 167 R C 2.630 178.944 176.300 0.022 0.000 1.119 167 R CA 1.147 57.248 56.100 0.002 0.000 0.970 167 R CB -0.536 29.773 30.300 0.015 0.000 0.864 167 R HN 0.517 nan 8.270 nan 0.000 0.440 168 A N 1.098 123.961 122.820 0.070 0.000 1.902 168 A HA -0.119 4.254 4.320 0.088 0.000 0.217 168 A C 2.328 179.948 177.584 0.061 0.000 1.181 168 A CA 1.694 53.806 52.037 0.125 0.000 0.623 168 A CB -0.588 18.615 19.000 0.338 0.000 0.818 168 A HN 0.399 nan 8.150 nan 0.000 0.443 169 A N -0.571 122.259 122.820 0.016 0.000 1.858 169 A HA -0.068 4.304 4.320 0.088 0.000 0.216 169 A C 2.456 180.020 177.584 -0.033 0.000 1.190 169 A CA 2.067 54.096 52.037 -0.013 0.000 0.617 169 A CB -1.026 17.948 19.000 -0.044 0.000 0.827 169 A HN 0.445 nan 8.150 nan 0.000 0.443 170 S N -0.376 115.299 115.700 -0.042 0.000 2.365 170 S HA -0.187 4.336 4.470 0.088 0.000 0.225 170 S C 2.364 176.906 174.600 -0.096 0.000 1.039 170 S CA 1.679 59.841 58.200 -0.062 0.000 1.033 170 S CB -0.432 62.736 63.200 -0.052 0.000 0.887 170 S HN 0.693 nan 8.310 nan 0.000 0.447 171 S N 0.890 116.541 115.700 -0.081 0.000 2.368 171 S HA -0.057 4.466 4.470 0.088 0.000 0.224 171 S C 1.968 176.486 174.600 -0.137 0.000 1.029 171 S CA 1.198 59.326 58.200 -0.120 0.000 0.988 171 S CB -0.376 62.785 63.200 -0.066 0.000 0.838 171 S HN 0.428 nan 8.310 nan 0.000 0.462 172 M N 1.333 120.888 119.600 -0.074 0.000 2.117 172 M HA -0.098 4.435 4.480 0.088 0.000 0.262 172 M C 1.777 178.027 176.300 -0.082 0.000 1.065 172 M CA 1.867 57.131 55.300 -0.059 0.000 1.114 172 M CB -1.075 31.520 32.600 -0.008 0.000 1.361 172 M HN 0.393 nan 8.290 nan 0.000 0.408 173 E N -0.288 119.861 120.200 -0.084 0.000 2.077 173 E HA -0.248 4.154 4.350 0.088 0.000 0.193 173 E C 2.133 178.644 176.600 -0.148 0.000 0.989 173 E CA 1.615 57.965 56.400 -0.084 0.000 0.800 173 E CB -0.281 29.378 29.700 -0.068 0.000 0.746 173 E HN 0.526 nan 8.360 nan 0.000 0.452 174 R N 0.625 120.973 120.500 -0.254 0.000 2.081 174 R HA -0.105 4.288 4.340 0.088 0.000 0.235 174 R C 2.255 178.203 176.300 -0.587 0.000 1.131 174 R CA 1.683 57.488 56.100 -0.492 0.000 0.960 174 R CB -0.099 29.802 30.300 -0.665 0.000 0.856 174 R HN -0.025 nan 8.270 nan 0.000 0.436 175 S N 0.398 115.869 115.700 -0.383 0.000 2.382 175 S HA -0.114 4.409 4.470 0.088 0.000 0.228 175 S C 1.813 176.414 174.600 0.002 0.000 1.027 175 S CA 1.347 59.447 58.200 -0.167 0.000 0.991 175 S CB -0.072 63.066 63.200 -0.104 0.000 0.823 175 S HN 0.302 nan 8.310 nan 0.000 0.469 176 M N 1.077 120.668 119.600 -0.016 0.000 2.229 176 M HA 0.046 4.579 4.480 0.088 0.000 0.264 176 M C 1.994 178.363 176.300 0.114 0.000 1.063 176 M CA 1.226 56.564 55.300 0.064 0.000 1.114 176 M CB -1.151 31.475 32.600 0.043 0.000 1.387 176 M HN 0.255 nan 8.290 nan 0.000 0.420 177 R N -1.188 119.352 120.500 0.066 0.000 2.092 177 R HA -0.164 4.229 4.340 0.088 0.000 0.231 177 R C 2.047 178.544 176.300 0.329 0.000 1.119 177 R CA 1.184 57.369 56.100 0.141 0.000 0.970 177 R CB -0.225 30.121 30.300 0.077 0.000 0.864 177 R HN 0.380 nan 8.270 nan 0.000 0.440 178 W N 0.511 121.881 121.300 0.117 0.000 2.467 178 W HA 0.097 4.809 4.660 0.088 0.000 0.275 178 W C 2.256 178.878 176.519 0.171 0.000 1.239 178 W CA 0.326 57.768 57.345 0.162 0.000 1.266 178 W CB -0.725 28.852 29.460 0.194 0.000 1.112 178 W HN 0.161 nan 8.180 nan 0.000 0.576 179 A N 0.363 123.405 122.820 0.370 0.000 1.898 179 A HA -0.197 4.176 4.320 0.088 0.000 0.216 179 A C 2.049 179.861 177.584 0.380 0.000 1.181 179 A CA 2.135 54.380 52.037 0.345 0.000 0.620 179 A CB -0.572 18.602 19.000 0.289 0.000 0.819 179 A HN 0.087 nan 8.150 nan 0.000 0.442 180 K N 0.312 120.881 120.400 0.282 0.000 2.057 180 K HA -0.069 4.304 4.320 0.088 0.000 0.207 180 K C 2.030 178.733 176.600 0.172 0.000 1.049 180 K CA 1.684 58.085 56.287 0.190 0.000 0.931 180 K CB -0.375 32.213 32.500 0.147 0.000 0.714 180 K HN 0.445 nan 8.250 nan 0.000 0.440 181 R N -0.162 120.461 120.500 0.205 0.000 2.096 181 R HA -0.007 4.385 4.340 0.088 0.000 0.235 181 R C 2.386 178.777 176.300 0.151 0.000 1.127 181 R CA 1.529 57.725 56.100 0.160 0.000 0.968 181 R CB -0.254 30.144 30.300 0.164 0.000 0.861 181 R HN 0.144 nan 8.270 nan 0.000 0.440 182 S N 0.484 116.308 115.700 0.206 0.000 2.368 182 S HA -0.143 4.380 4.470 0.088 0.000 0.224 182 S C 1.793 176.519 174.600 0.211 0.000 1.029 182 S CA 1.271 59.597 58.200 0.211 0.000 0.988 182 S CB -0.167 63.186 63.200 0.256 0.000 0.838 182 S HN 0.211 nan 8.310 nan 0.000 0.462 183 R N 1.973 122.588 120.500 0.192 0.000 2.080 183 R HA -0.112 4.281 4.340 0.088 0.000 0.236 183 R C 1.454 177.820 176.300 0.109 0.000 1.137 183 R CA 2.023 58.165 56.100 0.071 0.000 0.943 183 R CB -0.765 29.473 30.300 -0.104 0.000 0.846 183 R HN 0.225 nan 8.270 nan 0.000 0.431 184 D N 0.011 120.466 120.400 0.092 0.000 2.144 184 D HA -0.088 4.605 4.640 0.088 0.000 0.200 184 D C 1.742 178.094 176.300 0.087 0.000 0.978 184 D CA 1.630 55.675 54.000 0.076 0.000 0.833 184 D CB -0.451 40.384 40.800 0.057 0.000 0.961 184 D HN 0.405 nan 8.370 nan 0.000 0.470 185 A N 0.544 123.426 122.820 0.103 0.000 1.877 185 A HA -0.175 4.197 4.320 0.088 0.000 0.216 185 A C 2.135 179.779 177.584 0.100 0.000 1.186 185 A CA 1.093 53.176 52.037 0.077 0.000 0.620 185 A CB -1.075 17.968 19.000 0.072 0.000 0.822 185 A HN 0.250 nan 8.150 nan 0.000 0.443 186 F N 1.252 121.204 119.950 0.004 0.000 2.095 186 F HA -0.201 4.378 4.527 0.087 0.000 0.298 186 F C 1.709 177.493 175.800 -0.026 0.000 1.104 186 F CA 2.221 60.220 58.000 -0.002 0.000 1.232 186 F CB -0.138 38.884 39.000 0.037 0.000 0.987 186 F HN 0.238 nan 8.300 nan 0.000 0.475 187 D N -0.496 120.042 120.400 0.230 0.000 2.219 187 D HA -0.107 4.585 4.640 0.088 0.000 0.205 187 D C 2.281 178.568 176.300 -0.023 0.000 0.970 187 D CA 1.212 55.270 54.000 0.096 0.000 0.851 187 D CB -0.234 40.631 40.800 0.109 0.000 0.943 187 D HN 0.249 nan 8.370 nan 0.000 0.488 188 S N -0.199 115.483 115.700 -0.030 0.000 2.561 188 S HA -0.012 4.510 4.470 0.088 0.000 0.225 188 S C 1.097 175.631 174.600 -0.109 0.000 0.977 188 S CA -0.015 58.153 58.200 -0.054 0.000 0.926 188 S CB 0.398 63.578 63.200 -0.034 0.000 0.769 188 S HN 0.129 nan 8.310 nan 0.000 0.533 189 R N 1.288 121.678 120.500 -0.184 0.000 2.278 189 R HA 0.239 4.631 4.340 0.088 0.000 0.322 189 R C 0.312 176.450 176.300 -0.271 0.000 1.058 189 R CA -0.332 55.607 56.100 -0.269 0.000 0.991 189 R CB 0.254 30.303 30.300 -0.418 0.000 1.140 189 R HN -0.103 nan 8.270 nan 0.000 0.518 190 K N 1.162 121.457 120.400 -0.175 0.000 2.034 190 K HA -0.242 4.130 4.320 0.088 0.000 0.214 190 K C 1.620 178.141 176.600 -0.133 0.000 1.051 190 K CA 1.580 57.790 56.287 -0.129 0.000 0.931 190 K CB -0.037 32.417 32.500 -0.078 0.000 0.715 190 K HN 0.485 nan 8.250 nan 0.000 0.446 191 E N 0.895 121.024 120.200 -0.119 0.000 2.085 191 E HA -0.271 4.132 4.350 0.088 0.000 0.194 191 E C 2.153 178.700 176.600 -0.089 0.000 0.994 191 E CA 1.546 57.911 56.400 -0.057 0.000 0.801 191 E CB 0.007 29.726 29.700 0.032 0.000 0.743 191 E HN 0.483 nan 8.360 nan 0.000 0.453 192 Q N -0.290 119.379 119.800 -0.218 0.000 2.046 192 Q HA -0.093 4.299 4.340 0.088 0.000 0.200 192 Q C 2.054 177.736 176.000 -0.529 0.000 0.975 192 Q CA 1.593 57.204 55.803 -0.322 0.000 0.836 192 Q CB -0.184 28.250 28.738 -0.507 0.000 0.896 192 Q HN 0.275 nan 8.270 nan 0.000 0.428 193 A N 0.547 123.018 122.820 -0.582 0.000 2.019 193 A HA -0.191 4.182 4.320 0.088 0.000 0.219 193 A C 1.618 179.166 177.584 -0.060 0.000 1.164 193 A CA 1.591 53.395 52.037 -0.387 0.000 0.644 193 A CB -0.325 18.554 19.000 -0.201 0.000 0.805 193 A HN 0.531 nan 8.150 nan 0.000 0.449 194 E N -0.817 119.346 120.200 -0.062 0.000 2.318 194 E HA 0.004 4.407 4.350 0.088 0.000 0.193 194 E C 0.947 177.574 176.600 0.045 0.000 0.998 194 E CA 0.428 56.835 56.400 0.011 0.000 0.859 194 E CB 0.069 29.767 29.700 -0.002 0.000 0.812 194 E HN 0.564 nan 8.360 nan 0.000 0.492 195 N N -0.183 118.539 118.700 0.035 0.000 2.332 195 N HA 0.132 4.925 4.740 0.088 0.000 0.190 195 N C 0.060 175.641 175.510 0.119 0.000 1.117 195 N CA 0.182 53.273 53.050 0.068 0.000 0.883 195 N CB 1.199 39.712 38.487 0.043 0.000 1.089 195 N HN -0.037 nan 8.380 nan 0.000 0.480 196 A N 0.435 123.347 122.820 0.154 0.000 2.309 196 A HA 0.873 5.246 4.320 0.088 0.000 0.317 196 A C -0.787 177.041 177.584 0.408 0.000 1.134 196 A CA -0.474 51.719 52.037 0.260 0.000 0.866 196 A CB 1.343 20.509 19.000 0.277 0.000 1.329 196 A HN 0.100 nan 8.150 nan 0.000 0.477 197 A N -0.274 122.732 122.820 0.310 0.000 2.354 197 A HA 0.755 5.128 4.320 0.088 0.000 0.321 197 A C -1.085 176.445 177.584 -0.090 0.000 1.125 197 A CA -0.504 51.589 52.037 0.093 0.000 0.799 197 A CB 1.132 20.089 19.000 -0.072 0.000 1.293 197 A HN 0.926 nan 8.150 nan 0.000 0.452 198 L N 1.520 122.529 121.223 -0.356 0.000 2.356 198 L HA 0.600 4.993 4.340 0.088 0.000 0.277 198 L C -1.778 175.138 176.870 0.076 0.000 0.996 198 L CA -0.442 54.155 54.840 -0.405 0.000 0.822 198 L CB 1.351 42.803 42.059 -1.012 0.000 1.256 198 L HN 0.681 nan 8.230 nan 0.000 0.413 199 F N 1.803 121.589 119.950 -0.274 0.000 2.443 199 F HA 0.597 5.177 4.527 0.089 0.000 0.335 199 F C 0.918 176.332 175.800 -0.642 0.000 1.104 199 F CA -1.001 56.779 58.000 -0.367 0.000 1.013 199 F CB 1.991 40.865 39.000 -0.210 0.000 1.136 199 F HN 0.379 nan 8.300 nan 0.000 0.470 200 G N 2.995 111.145 108.800 -1.083 0.000 2.451 200 G HA2 0.638 4.651 3.960 0.088 0.000 0.303 200 G HA3 0.638 4.651 3.960 0.088 0.000 0.303 200 G C -0.960 173.605 174.900 -0.558 0.000 1.166 200 G CA -0.584 43.638 45.100 -1.463 0.000 0.884 200 G HN 0.535 nan 8.290 nan 0.000 0.514 201 I N 0.580 120.932 120.570 -0.363 0.000 2.410 201 I HA 0.222 4.445 4.170 0.088 0.000 0.286 201 I C 0.118 176.162 176.117 -0.121 0.000 1.009 201 I CA -0.530 60.656 61.300 -0.189 0.000 1.111 201 I CB 2.016 39.920 38.000 -0.161 0.000 1.262 201 I HN 0.422 nan 8.210 nan 0.000 0.443 202 Q N 5.753 125.503 119.800 -0.083 0.000 2.314 202 Q HA 0.222 4.614 4.340 0.088 0.000 0.258 202 Q C -0.812 175.152 176.000 -0.061 0.000 0.954 202 Q CA -0.088 55.687 55.803 -0.047 0.000 0.890 202 Q CB 1.137 29.855 28.738 -0.033 0.000 1.210 202 Q HN 0.528 nan 8.270 nan 0.000 0.410 203 Q N 1.030 120.809 119.800 -0.035 0.000 3.156 203 Q HA 0.552 4.945 4.340 0.088 0.000 0.301 203 Q C -0.008 175.999 176.000 0.011 0.000 1.026 203 Q CA 0.038 55.822 55.803 -0.032 0.000 0.827 203 Q CB 1.629 30.342 28.738 -0.040 0.000 1.490 203 Q HN 0.952 nan 8.270 nan 0.000 0.492 204 G N -0.201 108.620 108.800 0.035 0.000 2.164 204 G HA2 -0.175 3.838 3.960 0.088 0.000 0.154 204 G HA3 -0.175 3.838 3.960 0.088 0.000 0.154 204 G C 0.342 175.318 174.900 0.126 0.000 1.014 204 G CA 0.964 46.124 45.100 0.101 0.000 0.683 204 G HN 0.758 nan 8.290 nan 0.000 0.500 205 S N -2.280 113.449 115.700 0.050 0.000 3.938 205 S HA -0.364 4.159 4.470 0.088 0.000 0.624 205 S C 1.791 176.309 174.600 -0.137 0.000 2.186 205 S CA 3.412 61.594 58.200 -0.029 0.000 4.144 205 S CB -1.197 61.999 63.200 -0.006 0.000 0.230 205 S HN 2.034 nan 8.310 nan 0.000 0.755 206 V N -0.163 119.497 119.914 -0.424 0.000 3.342 206 V HA 0.567 4.740 4.120 0.088 0.000 0.322 206 V C 0.078 176.008 176.094 -0.272 0.000 1.370 206 V CA 0.120 62.225 62.300 -0.326 0.000 1.170 206 V CB -0.597 31.041 31.823 -0.308 0.000 1.101 206 V HN 0.457 nan 8.190 nan 0.000 0.442 207 F N 1.106 121.158 119.950 0.170 0.000 2.405 207 F HA 0.514 5.094 4.527 0.088 0.000 0.355 207 F C 1.573 177.377 175.800 0.005 0.000 1.121 207 F CA -0.921 57.124 58.000 0.076 0.000 1.112 207 F CB 1.462 40.478 39.000 0.026 0.000 1.126 207 F HN 0.126 nan 8.300 nan 0.000 0.481 208 E N 2.901 123.018 120.200 -0.139 0.000 2.085 208 E HA -0.278 4.125 4.350 0.088 0.000 0.194 208 E C 1.921 178.412 176.600 -0.182 0.000 0.994 208 E CA 1.855 57.915 56.400 -0.567 0.000 0.801 208 E CB 0.039 29.078 29.700 -1.102 0.000 0.743 208 E HN 0.753 nan 8.360 nan 0.000 0.453 209 N N 0.990 119.638 118.700 -0.087 0.000 2.188 209 N HA -0.197 4.595 4.740 0.088 0.000 0.184 209 N C 2.030 177.543 175.510 0.005 0.000 1.018 209 N CA 1.248 54.271 53.050 -0.046 0.000 0.858 209 N CB -0.585 37.874 38.487 -0.047 0.000 0.989 209 N HN 0.311 nan 8.380 nan 0.000 0.426 210 L N -0.083 121.177 121.223 0.063 0.000 2.109 210 L HA 0.060 4.453 4.340 0.088 0.000 0.207 210 L C 2.799 179.714 176.870 0.076 0.000 1.086 210 L CA 0.632 55.519 54.840 0.078 0.000 0.760 210 L CB -0.301 41.846 42.059 0.146 0.000 0.910 210 L HN 0.062 nan 8.230 nan 0.000 0.437 211 R N 0.153 120.717 120.500 0.107 0.000 2.096 211 R HA -0.186 4.207 4.340 0.088 0.000 0.235 211 R C 2.186 178.525 176.300 0.066 0.000 1.127 211 R CA 1.263 57.430 56.100 0.111 0.000 0.968 211 R CB -0.412 30.028 30.300 0.234 0.000 0.861 211 R HN 0.329 nan 8.270 nan 0.000 0.440 212 Q N 1.187 121.011 119.800 0.041 0.000 2.046 212 Q HA -0.141 4.252 4.340 0.088 0.000 0.200 212 Q C 1.963 177.969 176.000 0.010 0.000 0.975 212 Q CA 1.737 57.549 55.803 0.014 0.000 0.836 212 Q CB -0.070 28.660 28.738 -0.012 0.000 0.896 212 Q HN 0.364 nan 8.270 nan 0.000 0.428 213 Q N -0.780 119.027 119.800 0.012 0.000 2.084 213 Q HA -0.148 4.245 4.340 0.088 0.000 0.202 213 Q C 2.228 178.241 176.000 0.022 0.000 0.978 213 Q CA 1.515 57.326 55.803 0.013 0.000 0.844 213 Q CB -0.289 28.455 28.738 0.009 0.000 0.898 213 Q HN 0.355 nan 8.270 nan 0.000 0.426 214 S N 0.082 115.798 115.700 0.027 0.000 2.355 214 S HA -0.152 4.371 4.470 0.088 0.000 0.222 214 S C 2.003 176.626 174.600 0.039 0.000 1.031 214 S CA 1.066 59.285 58.200 0.032 0.000 0.993 214 S CB -0.226 62.988 63.200 0.025 0.000 0.859 214 S HN 0.461 nan 8.310 nan 0.000 0.453 215 A N 1.519 124.350 122.820 0.019 0.000 1.902 215 A HA -0.129 4.244 4.320 0.088 0.000 0.217 215 A C 1.888 179.472 177.584 -0.000 0.000 1.181 215 A CA 1.970 54.002 52.037 -0.009 0.000 0.623 215 A CB -0.902 18.072 19.000 -0.045 0.000 0.818 215 A HN 0.566 nan 8.150 nan 0.000 0.443 216 D N 0.045 120.451 120.400 0.009 0.000 2.117 216 D HA -0.035 4.658 4.640 0.088 0.000 0.198 216 D C 2.235 178.566 176.300 0.051 0.000 0.982 216 D CA 1.495 55.504 54.000 0.016 0.000 0.828 216 D CB -0.467 40.339 40.800 0.010 0.000 0.967 216 D HN 0.428 nan 8.370 nan 0.000 0.464 217 A N 0.611 123.471 122.820 0.066 0.000 1.902 217 A HA -0.133 4.239 4.320 0.088 0.000 0.217 217 A C 2.121 179.806 177.584 0.168 0.000 1.181 217 A CA 0.888 52.981 52.037 0.095 0.000 0.623 217 A CB -0.550 18.500 19.000 0.083 0.000 0.818 217 A HN 0.124 nan 8.150 nan 0.000 0.443 218 L N -0.423 120.930 121.223 0.218 0.000 2.056 218 L HA -0.073 4.320 4.340 0.088 0.000 0.207 218 L C 2.953 180.114 176.870 0.485 0.000 1.078 218 L CA 1.892 56.990 54.840 0.429 0.000 0.749 218 L CB -1.129 41.170 42.059 0.400 0.000 0.901 218 L HN 0.395 nan 8.230 nan 0.000 0.433 219 A N -1.082 121.894 122.820 0.260 0.000 1.933 219 A HA -0.230 4.143 4.320 0.088 0.000 0.218 219 A C 2.282 179.941 177.584 0.126 0.000 1.175 219 A CA 1.662 53.796 52.037 0.163 0.000 0.628 219 A CB -0.472 18.522 19.000 -0.010 0.000 0.814 219 A HN 0.411 nan 8.150 nan 0.000 0.444 220 E N 0.279 120.538 120.200 0.098 0.000 2.077 220 E HA -0.120 4.283 4.350 0.088 0.000 0.193 220 E C 1.674 178.292 176.600 0.030 0.000 0.989 220 E CA 1.401 57.834 56.400 0.056 0.000 0.800 220 E CB -0.337 29.394 29.700 0.051 0.000 0.746 220 E HN 0.661 nan 8.360 nan 0.000 0.452 221 I N -0.420 120.174 120.570 0.040 0.000 2.233 221 I HA 0.035 4.258 4.170 0.088 0.000 0.243 221 I C 0.970 176.936 176.117 -0.251 0.000 1.093 221 I CA 0.736 61.977 61.300 -0.097 0.000 1.380 221 I CB -0.351 37.593 38.000 -0.093 0.000 1.067 221 I HN 0.285 nan 8.210 nan 0.000 0.413 222 G N 1.044 109.735 108.800 -0.183 0.000 3.322 222 G HA2 -0.162 3.850 3.960 0.088 0.000 0.686 222 G HA3 -0.162 3.850 3.960 0.088 0.000 0.686 222 G C -0.849 173.708 174.900 -0.571 0.000 1.015 222 G CA -0.836 44.164 45.100 -0.166 0.000 0.826 222 G HN 0.066 nan 8.290 nan 0.000 0.538 223 F N 0.451 120.310 119.950 -0.152 0.000 2.650 223 F HA 0.544 5.123 4.527 0.088 0.000 0.320 223 F C 1.009 176.517 175.800 -0.486 0.000 1.091 223 F CA -0.973 56.760 58.000 -0.445 0.000 0.962 223 F CB 1.559 40.096 39.000 -0.772 0.000 1.363 223 F HN 0.336 nan 8.300 nan 0.000 0.482 224 D N 0.303 120.489 120.400 -0.357 0.000 2.323 224 D HA 0.201 4.894 4.640 0.088 0.000 0.209 224 D C 0.596 176.442 176.300 -0.757 0.000 0.973 224 D CA 0.833 54.487 54.000 -0.577 0.000 0.874 224 D CB 0.471 40.692 40.800 -0.965 0.000 0.930 224 D HN 0.588 nan 8.370 nan 0.000 0.521 225 G N -0.630 107.446 108.800 -1.206 0.000 2.677 225 G HA2 0.467 4.479 3.960 0.088 0.000 0.291 225 G HA3 0.467 4.479 3.960 0.088 0.000 0.291 225 G C -2.055 172.003 174.900 -1.405 0.000 1.435 225 G CA -0.728 43.347 45.100 -1.708 0.000 0.826 225 G HN -0.086 nan 8.290 nan 0.000 0.491 226 Y N 0.049 120.032 120.300 -0.529 0.000 2.338 226 Y HA 0.686 5.289 4.550 0.088 0.000 0.333 226 Y C 0.547 176.387 175.900 -0.101 0.000 0.968 226 Y CA -0.672 57.286 58.100 -0.236 0.000 1.123 226 Y CB 2.291 40.681 38.460 -0.116 0.000 1.165 226 Y HN 0.813 nan 8.280 nan 0.000 0.452 227 A N 2.257 125.087 122.820 0.018 0.000 2.295 227 A HA 0.762 5.135 4.320 0.088 0.000 0.318 227 A C -0.966 176.545 177.584 -0.122 0.000 1.134 227 A CA -0.721 51.288 52.037 -0.047 0.000 0.827 227 A CB 0.790 19.694 19.000 -0.160 0.000 1.136 227 A HN 0.538 nan 8.150 nan 0.000 0.493 228 V N 2.656 122.462 119.914 -0.182 0.000 2.304 228 V HA 0.506 4.679 4.120 0.088 0.000 0.269 228 V C 0.998 176.959 176.094 -0.223 0.000 1.036 228 V CA 0.244 62.445 62.300 -0.165 0.000 0.840 228 V CB 0.479 32.215 31.823 -0.145 0.000 1.036 228 V HN 1.103 nan 8.190 nan 0.000 0.466 229 G N 2.589 111.268 108.800 -0.201 0.000 2.531 229 G HA2 0.557 4.570 3.960 0.088 0.000 0.313 229 G HA3 0.557 4.570 3.960 0.088 0.000 0.313 229 G C 0.925 175.713 174.900 -0.188 0.000 1.238 229 G CA 0.016 44.976 45.100 -0.233 0.000 0.994 229 G HN 1.458 nan 8.290 nan 0.000 0.493 230 G N -1.964 106.712 108.800 -0.207 0.000 2.184 230 G HA2 -0.228 3.784 3.960 0.088 0.000 0.264 230 G HA3 -0.228 3.784 3.960 0.088 0.000 0.264 230 G C 0.321 175.129 174.900 -0.152 0.000 0.975 230 G CA 0.779 45.791 45.100 -0.146 0.000 0.642 230 G HN 0.596 nan 8.290 nan 0.000 0.536 231 L N -1.301 119.811 121.223 -0.185 0.000 2.298 231 L HA 0.710 5.103 4.340 0.088 0.000 0.268 231 L C 1.623 178.395 176.870 -0.164 0.000 1.010 231 L CA -0.576 54.157 54.840 -0.179 0.000 0.812 231 L CB 1.500 43.467 42.059 -0.153 0.000 1.331 231 L HN 1.201 nan 8.230 nan 0.000 0.450 232 A N 0.460 123.197 122.820 -0.139 0.000 2.869 232 A HA -0.125 4.248 4.320 0.088 0.000 0.280 232 A C 0.318 177.868 177.584 -0.056 0.000 1.458 232 A CA 0.809 52.797 52.037 -0.082 0.000 0.776 232 A CB -2.266 16.706 19.000 -0.047 0.000 1.028 232 A HN 0.982 nan 8.150 nan 0.000 0.547 233 V N -4.842 115.026 119.914 -0.076 0.000 3.078 233 V HA 0.709 4.882 4.120 0.088 0.000 0.344 233 V C 1.284 177.411 176.094 0.054 0.000 1.409 233 V CA 0.722 63.035 62.300 0.020 0.000 1.146 233 V CB -0.197 31.656 31.823 0.050 0.000 1.126 233 V HN 2.362 nan 8.190 nan 0.000 0.513 234 G N 0.627 109.418 108.800 -0.015 0.000 2.421 234 G HA2 -0.167 3.846 3.960 0.088 0.000 0.188 234 G HA3 -0.167 3.846 3.960 0.088 0.000 0.188 234 G C 0.089 174.951 174.900 -0.063 0.000 1.001 234 G CA 0.008 45.144 45.100 0.060 0.000 0.693 234 G HN 0.859 nan 8.290 nan 0.000 0.479 235 E N 2.180 122.111 120.200 -0.449 0.000 2.331 235 E HA 0.549 4.952 4.350 0.088 0.000 0.272 235 E C 0.843 177.287 176.600 -0.261 0.000 1.036 235 E CA 0.110 56.169 56.400 -0.569 0.000 0.864 235 E CB 0.782 29.894 29.700 -0.979 0.000 1.035 235 E HN 0.638 nan 8.360 nan 0.000 0.408 236 G N 1.541 110.242 108.800 -0.166 0.000 2.716 236 G HA2 -0.109 3.904 3.960 0.088 0.000 0.251 236 G HA3 -0.109 3.904 3.960 0.088 0.000 0.251 236 G C 0.568 175.335 174.900 -0.222 0.000 1.224 236 G CA 0.192 45.206 45.100 -0.143 0.000 0.891 236 G HN 0.769 nan 8.290 nan 0.000 0.561 237 Q N -0.825 118.813 119.800 -0.270 0.000 2.084 237 Q HA -0.151 4.241 4.340 0.088 0.000 0.202 237 Q C 1.726 177.384 176.000 -0.570 0.000 0.978 237 Q CA 1.947 57.443 55.803 -0.513 0.000 0.844 237 Q CB -0.121 28.280 28.738 -0.561 0.000 0.898 237 Q HN 0.628 nan 8.270 nan 0.000 0.426 238 D N 0.420 120.635 120.400 -0.308 0.000 2.106 238 D HA -0.206 4.486 4.640 0.088 0.000 0.191 238 D C 1.742 177.985 176.300 -0.094 0.000 0.997 238 D CA 1.635 55.545 54.000 -0.149 0.000 0.834 238 D CB -0.231 40.525 40.800 -0.073 0.000 0.956 238 D HN 0.324 nan 8.370 nan 0.000 0.448 239 E N 0.093 120.222 120.200 -0.119 0.000 2.072 239 E HA -0.125 4.278 4.350 0.088 0.000 0.191 239 E C 2.052 178.574 176.600 -0.131 0.000 0.985 239 E CA 0.710 57.049 56.400 -0.102 0.000 0.801 239 E CB -0.247 29.376 29.700 -0.128 0.000 0.750 239 E HN 0.262 nan 8.360 nan 0.000 0.452 240 M N -0.749 118.742 119.600 -0.182 0.000 2.080 240 M HA -0.167 4.365 4.480 0.088 0.000 0.260 240 M C 1.395 177.714 176.300 0.033 0.000 1.068 240 M CA 1.546 56.765 55.300 -0.134 0.000 1.109 240 M CB -0.165 32.336 32.600 -0.163 0.000 1.342 240 M HN 0.128 nan 8.290 nan 0.000 0.405 241 F N 0.402 120.295 119.950 -0.095 0.000 2.134 241 F HA -0.156 4.423 4.527 0.087 0.000 0.299 241 F C 2.678 178.395 175.800 -0.138 0.000 1.097 241 F CA 1.525 59.475 58.000 -0.083 0.000 1.264 241 F CB -1.413 37.566 39.000 -0.035 0.000 1.001 241 F HN 0.279 nan 8.300 nan 0.000 0.479 242 R N 0.379 120.918 120.500 0.066 0.000 2.091 242 R HA -0.141 4.252 4.340 0.088 0.000 0.238 242 R C 2.112 178.216 176.300 -0.327 0.000 1.136 242 R CA 1.679 57.757 56.100 -0.036 0.000 0.959 242 R CB -0.422 29.894 30.300 0.026 0.000 0.856 242 R HN 0.144 nan 8.270 nan 0.000 0.437 243 V N 1.245 120.917 119.914 -0.402 0.000 2.358 243 V HA -0.219 3.953 4.120 0.088 0.000 0.246 243 V C 2.345 177.917 176.094 -0.871 0.000 1.047 243 V CA 1.523 63.320 62.300 -0.838 0.000 1.035 243 V CB -0.350 31.243 31.823 -0.383 0.000 0.658 243 V HN 0.338 nan 8.190 nan 0.000 0.452 244 L N -0.323 120.664 121.223 -0.394 0.000 2.083 244 L HA -0.175 4.217 4.340 0.088 0.000 0.209 244 L C 2.420 179.123 176.870 -0.278 0.000 1.083 244 L CA 1.417 56.101 54.840 -0.260 0.000 0.752 244 L CB -0.801 41.211 42.059 -0.079 0.000 0.899 244 L HN 0.328 nan 8.230 nan 0.000 0.433 245 D N 0.478 120.718 120.400 -0.267 0.000 2.133 245 D HA -0.239 4.453 4.640 0.088 0.000 0.192 245 D C 1.837 178.093 176.300 -0.074 0.000 1.001 245 D CA 1.934 55.849 54.000 -0.141 0.000 0.844 245 D CB -0.179 40.583 40.800 -0.063 0.000 0.944 245 D HN 0.504 nan 8.370 nan 0.000 0.447 246 F N -0.847 119.099 119.950 -0.006 0.000 2.714 246 F HA 0.386 4.966 4.527 0.089 0.000 0.294 246 F C 2.097 177.877 175.800 -0.034 0.000 1.120 246 F CA -0.178 57.814 58.000 -0.015 0.000 1.398 246 F CB -0.433 38.566 39.000 -0.003 0.000 1.120 246 F HN -0.255 nan 8.300 nan 0.000 0.589 247 S N 1.036 116.698 115.700 -0.063 0.000 2.377 247 S HA -0.050 4.473 4.470 0.088 0.000 0.223 247 S C 2.150 176.704 174.600 -0.076 0.000 1.030 247 S CA 1.193 59.399 58.200 0.010 0.000 0.970 247 S CB -0.474 62.652 63.200 -0.124 0.000 0.830 247 S HN 0.253 nan 8.310 nan 0.000 0.473 248 V N 2.729 122.559 119.914 -0.139 0.000 2.407 248 V HA -0.072 4.101 4.120 0.088 0.000 0.248 248 V C -0.961 175.002 176.094 -0.219 0.000 1.055 248 V CA 1.511 63.677 62.300 -0.224 0.000 1.049 248 V CB -1.799 29.912 31.823 -0.186 0.000 0.662 248 V HN 0.327 nan 8.190 nan 0.000 0.455 249 P HA -0.079 nan 4.420 nan 0.000 0.225 249 P C 1.724 178.985 177.300 -0.066 0.000 1.148 249 P CA 1.246 64.313 63.100 -0.056 0.000 0.779 249 P CB -0.104 31.596 31.700 0.000 0.000 0.780 250 M N -1.888 117.669 119.600 -0.071 0.000 2.419 250 M HA -0.009 4.523 4.480 0.088 0.000 0.264 250 M C 0.713 176.925 176.300 -0.146 0.000 1.082 250 M CA 0.853 56.111 55.300 -0.071 0.000 1.119 250 M CB -0.476 32.107 32.600 -0.028 0.000 1.398 250 M HN -0.098 nan 8.290 nan 0.000 0.453 251 L N 0.533 121.616 121.223 -0.233 0.000 2.418 251 L HA 0.280 4.673 4.340 0.088 0.000 0.265 251 L C -2.087 174.630 176.870 -0.256 0.000 1.143 251 L CA -2.216 52.412 54.840 -0.354 0.000 0.809 251 L CB -0.355 41.433 42.059 -0.453 0.000 1.124 251 L HN -0.246 nan 8.230 nan 0.000 0.456 252 P HA -0.047 nan 4.420 nan 0.000 0.263 252 P C -0.100 177.277 177.300 0.127 0.000 1.195 252 P CA 0.271 63.300 63.100 -0.118 0.000 0.762 252 P CB 0.540 32.134 31.700 -0.177 0.000 0.799 253 D N 2.705 123.179 120.400 0.123 0.000 2.178 253 D HA -0.187 4.506 4.640 0.088 0.000 0.202 253 D C 1.029 177.434 176.300 0.175 0.000 0.974 253 D CA 1.140 55.255 54.000 0.191 0.000 0.841 253 D CB -0.025 40.842 40.800 0.111 0.000 0.953 253 D HN 0.386 nan 8.370 nan 0.000 0.478 254 D N -0.721 119.771 120.400 0.153 0.000 2.324 254 D HA -0.022 4.671 4.640 0.088 0.000 0.235 254 D C -0.131 176.377 176.300 0.347 0.000 1.095 254 D CA 0.198 54.305 54.000 0.178 0.000 0.871 254 D CB 0.026 40.895 40.800 0.115 0.000 0.906 254 D HN 0.013 nan 8.370 nan 0.000 0.522 255 K N 0.644 121.224 120.400 0.300 0.000 2.328 255 K HA 0.474 4.847 4.320 0.088 0.000 0.246 255 K C -2.808 173.656 176.600 -0.227 0.000 0.955 255 K CA -2.428 53.998 56.287 0.231 0.000 0.817 255 K CB 1.552 34.233 32.500 0.301 0.000 1.208 255 K HN -0.115 nan 8.250 nan 0.000 0.432 256 P HA 0.047 nan 4.420 nan 0.000 0.267 256 P C -0.827 176.255 177.300 -0.364 0.000 1.200 256 P CA 0.238 62.806 63.100 -0.887 0.000 0.772 256 P CB 0.335 31.601 31.700 -0.722 0.000 0.855 257 H N 1.825 120.802 119.070 -0.156 0.000 2.587 257 H HA 0.270 4.879 4.556 0.088 0.000 0.325 257 H C -0.943 174.367 175.328 -0.030 0.000 1.012 257 H CA -0.386 55.624 56.048 -0.062 0.000 1.213 257 H CB 0.391 30.120 29.762 -0.054 0.000 1.431 257 H HN 0.382 nan 8.280 nan 0.000 0.492 258 Y N 4.461 124.753 120.300 -0.012 0.000 2.356 258 Y HA 0.300 4.903 4.550 0.089 0.000 0.334 258 Y C -1.278 174.544 175.900 -0.129 0.000 0.958 258 Y CA -1.611 56.439 58.100 -0.083 0.000 1.196 258 Y CB 0.645 39.155 38.460 0.082 0.000 1.137 258 Y HN 0.469 nan 8.280 nan 0.000 0.485 259 L N 7.907 129.031 121.223 -0.164 0.000 2.282 259 L HA 0.408 4.801 4.340 0.088 0.000 0.287 259 L C -0.553 176.144 176.870 -0.288 0.000 1.075 259 L CA -0.227 54.465 54.840 -0.248 0.000 0.839 259 L CB 0.005 41.983 42.059 -0.136 0.000 1.219 259 L HN 0.689 nan 8.230 nan 0.000 0.434 260 M N 4.671 123.915 119.600 -0.593 0.000 2.239 260 M HA 0.244 4.776 4.480 0.088 0.000 0.348 260 M C 1.483 177.671 176.300 -0.186 0.000 1.239 260 M CA 0.749 55.730 55.300 -0.531 0.000 1.114 260 M CB 0.295 32.513 32.600 -0.637 0.000 1.641 260 M HN 0.848 nan 8.290 nan 0.000 0.453 261 G N 2.164 110.942 108.800 -0.036 0.000 2.196 261 G HA2 -0.212 3.801 3.960 0.088 0.000 0.268 261 G HA3 -0.212 3.801 3.960 0.088 0.000 0.268 261 G C -0.051 174.918 174.900 0.114 0.000 0.975 261 G CA -0.019 45.098 45.100 0.029 0.000 0.648 261 G HN 0.583 nan 8.290 nan 0.000 0.538 262 V N 0.801 120.833 119.914 0.196 0.000 2.383 262 V HA 0.734 4.907 4.120 0.088 0.000 0.275 262 V C 0.993 177.321 176.094 0.390 0.000 1.036 262 V CA 0.540 63.005 62.300 0.275 0.000 0.889 262 V CB 1.053 33.073 31.823 0.327 0.000 0.985 262 V HN 0.756 nan 8.190 nan 0.000 0.459 263 G N 3.408 112.378 108.800 0.282 0.000 3.166 263 G HA2 0.635 4.648 3.960 0.088 0.000 0.267 263 G HA3 0.635 4.648 3.960 0.088 0.000 0.267 263 G C -0.538 174.452 174.900 0.150 0.000 1.256 263 G CA -0.806 44.477 45.100 0.304 0.000 0.859 263 G HN 0.757 nan 8.290 nan 0.000 0.590 264 K N -0.443 120.050 120.400 0.155 0.000 6.595 264 K HA -0.135 4.238 4.320 0.088 0.000 0.817 264 K C -2.168 174.343 176.600 -0.149 0.000 2.257 264 K CA 0.428 56.756 56.287 0.069 0.000 1.680 264 K CB -0.034 32.556 32.500 0.151 0.000 2.220 264 K HN 0.177 nan 8.250 nan 0.000 0.275 265 P HA -0.304 nan 4.420 nan 0.000 0.216 265 P C 0.758 177.880 177.300 -0.297 0.000 1.167 265 P CA 2.214 65.000 63.100 -0.522 0.000 0.933 265 P CB 0.002 31.401 31.700 -0.502 0.000 0.793 266 D N -1.418 118.967 120.400 -0.025 0.000 2.218 266 D HA -0.176 4.516 4.640 0.088 0.000 0.204 266 D C 1.281 177.733 176.300 0.253 0.000 0.976 266 D CA 1.189 55.345 54.000 0.261 0.000 0.853 266 D CB -1.103 40.023 40.800 0.545 0.000 0.939 266 D HN 0.163 nan 8.370 nan 0.000 0.481 267 D N 0.892 121.387 120.400 0.158 0.000 2.097 267 D HA -0.040 4.653 4.640 0.088 0.000 0.197 267 D C 2.408 178.818 176.300 0.183 0.000 0.984 267 D CA 0.484 54.615 54.000 0.219 0.000 0.826 267 D CB -0.192 40.680 40.800 0.119 0.000 0.973 267 D HN 0.325 nan 8.370 nan 0.000 0.460 268 I N 0.510 121.002 120.570 -0.130 0.000 2.179 268 I HA -0.230 3.993 4.170 0.088 0.000 0.242 268 I C 2.419 178.417 176.117 -0.198 0.000 1.088 268 I CA 0.624 61.628 61.300 -0.493 0.000 1.357 268 I CB -0.206 37.286 38.000 -0.848 0.000 1.051 268 I HN -0.108 nan 8.210 nan 0.000 0.409 269 V N 1.143 120.983 119.914 -0.123 0.000 2.287 269 V HA -0.255 3.918 4.120 0.088 0.000 0.248 269 V C 2.604 178.785 176.094 0.144 0.000 1.053 269 V CA 2.306 64.633 62.300 0.045 0.000 1.027 269 V CB -1.502 30.281 31.823 -0.067 0.000 0.646 269 V HN 0.590 nan 8.190 nan 0.000 0.447 270 G N -0.686 108.177 108.800 0.105 0.000 2.422 270 G HA2 -0.171 3.842 3.960 0.088 0.000 0.218 270 G HA3 -0.171 3.842 3.960 0.088 0.000 0.218 270 G C 1.733 176.461 174.900 -0.287 0.000 1.146 270 G CA 1.022 45.977 45.100 -0.243 0.000 0.769 270 G HN 0.622 nan 8.290 nan 0.000 0.547 271 A N 0.119 122.995 122.820 0.093 0.000 1.898 271 A HA 0.136 4.509 4.320 0.088 0.000 0.216 271 A C 2.573 180.308 177.584 0.252 0.000 1.181 271 A CA 1.622 53.797 52.037 0.232 0.000 0.620 271 A CB -0.529 18.816 19.000 0.576 0.000 0.819 271 A HN 0.231 nan 8.150 nan 0.000 0.442 272 V N 0.300 120.417 119.914 0.338 0.000 2.407 272 V HA -0.257 3.916 4.120 0.088 0.000 0.248 272 V C 2.262 178.490 176.094 0.223 0.000 1.055 272 V CA 2.165 64.622 62.300 0.262 0.000 1.049 272 V CB -0.837 31.084 31.823 0.163 0.000 0.662 272 V HN 0.628 nan 8.190 nan 0.000 0.455 273 E N -0.222 120.163 120.200 0.309 0.000 2.333 273 E HA -0.172 4.231 4.350 0.088 0.000 0.198 273 E C 1.892 178.550 176.600 0.097 0.000 1.007 273 E CA 0.712 57.283 56.400 0.285 0.000 0.845 273 E CB -0.058 29.697 29.700 0.091 0.000 0.766 273 E HN 0.551 nan 8.360 nan 0.000 0.507 274 R N -1.011 119.511 120.500 0.036 0.000 2.468 274 R HA 0.154 4.547 4.340 0.088 0.000 0.280 274 R C 0.717 177.039 176.300 0.035 0.000 0.963 274 R CA 0.423 56.519 56.100 -0.006 0.000 1.083 274 R CB 1.165 31.411 30.300 -0.090 0.000 1.200 274 R HN 0.165 nan 8.270 nan 0.000 0.541 275 G N 0.842 109.695 108.800 0.089 0.000 2.163 275 G HA2 -0.185 3.828 3.960 0.088 0.000 0.213 275 G HA3 -0.185 3.828 3.960 0.088 0.000 0.213 275 G C 0.033 175.051 174.900 0.196 0.000 0.991 275 G CA -0.624 44.562 45.100 0.143 0.000 0.653 275 G HN 0.098 nan 8.290 nan 0.000 0.518 276 I N 1.560 122.200 120.570 0.116 0.000 2.474 276 I HA 0.315 4.537 4.170 0.088 0.000 0.287 276 I C 0.495 176.598 176.117 -0.024 0.000 1.048 276 I CA -0.254 61.056 61.300 0.016 0.000 1.383 276 I CB 1.218 39.141 38.000 -0.130 0.000 1.412 276 I HN 0.044 nan 8.210 nan 0.000 0.531 277 D N 4.937 125.276 120.400 -0.101 0.000 2.454 277 D HA 0.204 4.897 4.640 0.088 0.000 0.214 277 D C 0.289 176.522 176.300 -0.112 0.000 1.088 277 D CA 0.712 54.667 54.000 -0.075 0.000 0.855 277 D CB 1.052 41.771 40.800 -0.135 0.000 1.025 277 D HN 0.401 nan 8.370 nan 0.000 0.502 278 M N 0.143 119.572 119.600 -0.285 0.000 2.501 278 M HA 0.443 4.976 4.480 0.088 0.000 0.293 278 M C -1.507 174.557 176.300 -0.393 0.000 1.192 278 M CA -0.577 54.592 55.300 -0.218 0.000 0.886 278 M CB 2.974 35.454 32.600 -0.200 0.000 1.710 278 M HN -0.305 nan 8.290 nan 0.000 0.457 279 F N 0.050 120.080 119.950 0.133 0.000 2.626 279 F HA 0.654 5.233 4.527 0.087 0.000 0.311 279 F C -0.886 174.887 175.800 -0.045 0.000 1.088 279 F CA -0.744 57.384 58.000 0.213 0.000 0.949 279 F CB 2.087 41.294 39.000 0.345 0.000 1.322 279 F HN 0.648 nan 8.300 nan 0.000 0.461 280 D N -0.442 120.105 120.400 0.246 0.000 2.717 280 D HA 0.604 5.297 4.640 0.088 0.000 0.223 280 D C -1.637 174.751 176.300 0.148 0.000 1.240 280 D CA -0.442 53.495 54.000 -0.105 0.000 0.801 280 D CB 2.105 42.888 40.800 -0.029 0.000 1.556 280 D HN 0.868 nan 8.370 nan 0.000 0.462 281 C N 1.950 121.326 119.300 0.127 0.000 3.268 281 C HA 0.441 4.953 4.460 0.088 0.000 0.374 281 C C 0.523 175.602 174.990 0.149 0.000 1.126 281 C CA -0.051 59.090 59.018 0.205 0.000 1.162 281 C CB 0.909 28.840 27.740 0.320 0.000 1.503 281 C HN 1.020 nan 8.230 nan 0.000 0.538 282 V N 3.085 123.054 119.914 0.091 0.000 3.623 282 V HA 0.141 4.314 4.120 0.088 0.000 0.271 282 V C 1.643 177.761 176.094 0.041 0.000 1.248 282 V CA 1.367 63.696 62.300 0.048 0.000 1.156 282 V CB -0.597 31.247 31.823 0.036 0.000 0.870 282 V HN 0.865 nan 8.190 nan 0.000 0.453 283 L N 1.612 122.870 121.223 0.060 0.000 1.990 283 L HA -0.022 4.371 4.340 0.088 0.000 0.213 283 L C 0.114 177.019 176.870 0.059 0.000 1.072 283 L CA 2.798 57.690 54.840 0.087 0.000 0.755 283 L CB -1.604 40.542 42.059 0.146 0.000 0.889 283 L HN 0.291 nan 8.230 nan 0.000 0.432 284 P HA -0.162 nan 4.420 nan 0.000 0.214 284 P C 1.651 178.936 177.300 -0.025 0.000 1.163 284 P CA 2.658 65.616 63.100 -0.236 0.000 0.889 284 P CB -0.393 30.877 31.700 -0.718 0.000 0.790 285 T N -2.530 112.000 114.554 -0.040 0.000 2.698 285 T HA -0.085 4.318 4.350 0.088 0.000 0.260 285 T C 1.986 176.687 174.700 0.001 0.000 1.044 285 T CA 0.837 62.929 62.100 -0.014 0.000 1.149 285 T CB -0.844 68.009 68.868 -0.024 0.000 0.864 285 T HN -0.034 nan 8.240 nan 0.000 0.419 286 R N 1.432 121.938 120.500 0.010 0.000 2.073 286 R HA -0.115 4.278 4.340 0.088 0.000 0.234 286 R C 2.885 179.194 176.300 0.015 0.000 1.134 286 R CA 1.966 58.074 56.100 0.012 0.000 0.952 286 R CB -0.517 29.797 30.300 0.023 0.000 0.850 286 R HN 0.615 nan 8.270 nan 0.000 0.433 287 S N -0.849 114.876 115.700 0.041 0.000 2.423 287 S HA -0.039 4.484 4.470 0.088 0.000 0.231 287 S C 2.078 176.667 174.600 -0.019 0.000 1.014 287 S CA 0.905 59.116 58.200 0.019 0.000 0.965 287 S CB -0.434 62.799 63.200 0.055 0.000 0.785 287 S HN 0.514 nan 8.310 nan 0.000 0.495 288 G N 2.226 111.032 108.800 0.011 0.000 2.421 288 G HA2 -0.170 3.842 3.960 0.088 0.000 0.216 288 G HA3 -0.170 3.842 3.960 0.088 0.000 0.216 288 G C 1.707 176.584 174.900 -0.039 0.000 1.171 288 G CA 0.510 45.605 45.100 -0.008 0.000 0.775 288 G HN 0.563 nan 8.290 nan 0.000 0.543 289 R N -0.016 120.464 120.500 -0.033 0.000 2.189 289 R HA -0.030 4.363 4.340 0.088 0.000 0.223 289 R C 1.989 178.254 176.300 -0.057 0.000 1.092 289 R CA 1.070 57.142 56.100 -0.048 0.000 0.989 289 R CB -0.211 30.066 30.300 -0.038 0.000 0.876 289 R HN 0.353 nan 8.270 nan 0.000 0.457 290 N N -0.451 118.219 118.700 -0.051 0.000 2.412 290 N HA -0.019 4.773 4.740 0.088 0.000 0.184 290 N C 0.727 176.194 175.510 -0.073 0.000 1.101 290 N CA 0.917 53.934 53.050 -0.054 0.000 0.881 290 N CB 0.729 39.193 38.487 -0.038 0.000 0.969 290 N HN 0.284 nan 8.380 nan 0.000 0.459 291 G N -0.341 108.405 108.800 -0.090 0.000 2.184 291 G HA2 -0.251 3.762 3.960 0.088 0.000 0.206 291 G HA3 -0.251 3.762 3.960 0.088 0.000 0.206 291 G C -0.175 174.639 174.900 -0.143 0.000 0.995 291 G CA 0.038 45.072 45.100 -0.109 0.000 0.651 291 G HN 0.526 nan 8.290 nan 0.000 0.511 292 Q N 0.668 120.370 119.800 -0.163 0.000 2.296 292 Q HA 0.688 5.080 4.340 0.088 0.000 0.257 292 Q C -0.013 175.781 176.000 -0.344 0.000 0.942 292 Q CA 0.164 55.805 55.803 -0.270 0.000 0.939 292 Q CB 0.981 29.540 28.738 -0.299 0.000 1.198 292 Q HN 0.847 nan 8.270 nan 0.000 0.429 293 A N 4.421 127.008 122.820 -0.390 0.000 2.331 293 A HA 0.613 4.986 4.320 0.088 0.000 0.320 293 A C -1.323 175.974 177.584 -0.478 0.000 1.138 293 A CA -0.611 51.242 52.037 -0.308 0.000 0.790 293 A CB 0.564 19.401 19.000 -0.272 0.000 1.206 293 A HN 0.743 nan 8.150 nan 0.000 0.470 294 F N 1.529 121.345 119.950 -0.225 0.000 2.384 294 F HA 0.563 5.141 4.527 0.084 0.000 0.338 294 F C 1.315 176.562 175.800 -0.921 0.000 1.103 294 F CA 0.642 58.287 58.000 -0.592 0.000 1.157 294 F CB 1.960 40.494 39.000 -0.777 0.000 1.167 294 F HN 0.672 nan 8.300 nan 0.000 0.529 295 T N -1.672 112.470 114.554 -0.688 0.000 2.841 295 T HA 0.258 4.661 4.350 0.088 0.000 0.296 295 T C 0.073 174.635 174.700 -0.229 0.000 1.166 295 T CA -0.891 60.909 62.100 -0.499 0.000 1.007 295 T CB 0.719 69.476 68.868 -0.185 0.000 1.253 295 T HN 0.579 nan 8.240 nan 0.000 0.511 296 W N 0.249 121.755 121.300 0.344 0.000 2.525 296 W HA 0.150 4.862 4.660 0.087 0.000 0.259 296 W C 1.162 177.772 176.519 0.152 0.000 1.253 296 W CA 0.117 57.719 57.345 0.428 0.000 1.262 296 W CB 0.134 29.803 29.460 0.349 0.000 1.122 296 W HN 0.642 nan 8.180 nan 0.000 0.607 297 D N -0.247 120.237 120.400 0.140 0.000 2.358 297 D HA 0.269 4.961 4.640 0.088 0.000 0.224 297 D C 1.038 177.145 176.300 -0.322 0.000 1.123 297 D CA 0.865 54.834 54.000 -0.052 0.000 0.833 297 D CB 0.085 40.885 40.800 0.000 0.000 0.946 297 D HN 0.103 nan 8.370 nan 0.000 0.505 298 G N 2.404 110.821 108.800 -0.638 0.000 2.663 298 G HA2 -0.152 3.861 3.960 0.088 0.000 0.686 298 G HA3 -0.152 3.861 3.960 0.088 0.000 0.686 298 G C -3.009 171.558 174.900 -0.555 0.000 1.288 298 G CA -1.128 43.320 45.100 -1.087 0.000 0.836 298 G HN -0.104 nan 8.290 nan 0.000 0.584 299 P HA 0.584 nan 4.420 nan 0.000 0.274 299 P C 0.090 177.214 177.300 -0.293 0.000 1.231 299 P CA -0.181 62.676 63.100 -0.405 0.000 0.790 299 P CB 1.021 32.451 31.700 -0.450 0.000 0.951 300 I N -1.816 118.577 120.570 -0.294 0.000 2.828 300 I HA 0.549 4.772 4.170 0.088 0.000 0.302 300 I C -0.606 175.399 176.117 -0.185 0.000 1.101 300 I CA -1.158 60.042 61.300 -0.166 0.000 1.031 300 I CB 2.369 40.270 38.000 -0.165 0.000 1.231 300 I HN 0.074 nan 8.210 nan 0.000 0.427 301 N N 3.663 122.343 118.700 -0.033 0.000 2.527 301 N HA 0.231 5.023 4.740 0.088 0.000 0.236 301 N C 0.355 175.880 175.510 0.025 0.000 0.999 301 N CA -0.352 52.678 53.050 -0.033 0.000 0.935 301 N CB 1.410 39.909 38.487 0.021 0.000 1.132 301 N HN 0.866 nan 8.380 nan 0.000 0.511 302 I N 4.123 124.595 120.570 -0.164 0.000 2.657 302 I HA -0.120 4.103 4.170 0.088 0.000 0.261 302 I C 1.916 178.150 176.117 0.195 0.000 1.212 302 I CA 1.113 62.293 61.300 -0.200 0.000 1.453 302 I CB 0.098 37.946 38.000 -0.252 0.000 1.092 302 I HN 0.474 nan 8.210 nan 0.000 0.452 303 R N 0.248 120.827 120.500 0.133 0.000 2.235 303 R HA -0.044 4.349 4.340 0.088 0.000 0.213 303 R C 0.970 177.455 176.300 0.309 0.000 1.059 303 R CA 0.027 56.201 56.100 0.125 0.000 0.997 303 R CB -0.584 29.716 30.300 -0.001 0.000 0.884 303 R HN 0.391 nan 8.270 nan 0.000 0.462 304 N N 1.120 120.027 118.700 0.345 0.000 2.412 304 N HA -0.077 4.716 4.740 0.088 0.000 0.254 304 N C 0.783 176.407 175.510 0.190 0.000 1.232 304 N CA 0.396 53.584 53.050 0.230 0.000 0.880 304 N CB 1.151 39.728 38.487 0.150 0.000 1.076 304 N HN 0.092 nan 8.380 nan 0.000 0.458 305 A N 4.825 127.690 122.820 0.075 0.000 2.032 305 A HA -0.220 4.153 4.320 0.088 0.000 0.221 305 A C 1.935 179.395 177.584 -0.207 0.000 1.165 305 A CA 1.678 53.706 52.037 -0.015 0.000 0.645 305 A CB -0.388 18.608 19.000 -0.007 0.000 0.807 305 A HN 0.911 nan 8.150 nan 0.000 0.453 306 R N -2.039 118.265 120.500 -0.326 0.000 2.328 306 R HA 0.004 4.397 4.340 0.088 0.000 0.207 306 R C 0.537 176.481 176.300 -0.594 0.000 1.056 306 R CA 1.376 57.187 56.100 -0.481 0.000 1.016 306 R CB -0.488 29.448 30.300 -0.607 0.000 0.872 306 R HN 0.416 nan 8.270 nan 0.000 0.471 307 F N 1.075 120.874 119.950 -0.251 0.000 2.695 307 F HA 0.203 4.785 4.527 0.092 0.000 0.303 307 F C 2.111 177.642 175.800 -0.447 0.000 1.091 307 F CA 0.008 57.846 58.000 -0.271 0.000 1.300 307 F CB 0.467 39.366 39.000 -0.169 0.000 1.071 307 F HN 0.096 nan 8.300 nan 0.000 0.578 308 S N 0.157 115.537 115.700 -0.532 0.000 2.419 308 S HA -0.195 4.327 4.470 0.088 0.000 0.235 308 S C 1.104 175.653 174.600 -0.085 0.000 1.019 308 S CA 1.584 59.530 58.200 -0.424 0.000 0.982 308 S CB -0.366 62.701 63.200 -0.221 0.000 0.789 308 S HN 0.573 nan 8.310 nan 0.000 0.490 309 E N 0.392 120.556 120.200 -0.059 0.000 2.876 309 E HA 0.192 4.595 4.350 0.088 0.000 0.208 309 E C -1.067 175.546 176.600 0.022 0.000 0.981 309 E CA -0.293 56.107 56.400 -0.000 0.000 1.174 309 E CB 0.335 30.029 29.700 -0.011 0.000 1.047 309 E HN 0.331 nan 8.360 nan 0.000 0.477 310 D N 1.436 121.865 120.400 0.048 0.000 2.336 310 D HA 0.079 4.772 4.640 0.088 0.000 0.249 310 D C 0.721 177.079 176.300 0.096 0.000 1.213 310 D CA -0.033 54.020 54.000 0.089 0.000 0.870 310 D CB 0.929 41.850 40.800 0.201 0.000 1.076 310 D HN 0.168 nan 8.370 nan 0.000 0.483 311 L N 3.102 124.368 121.223 0.072 0.000 2.599 311 L HA 0.068 4.461 4.340 0.088 0.000 0.230 311 L C 1.284 178.195 176.870 0.069 0.000 1.141 311 L CA 0.249 55.132 54.840 0.070 0.000 0.877 311 L CB -0.072 42.016 42.059 0.048 0.000 1.009 311 L HN 0.125 nan 8.230 nan 0.000 0.447 312 K N 1.202 121.645 120.400 0.072 0.000 2.219 312 K HA 0.206 4.579 4.320 0.088 0.000 0.258 312 K C -2.172 174.462 176.600 0.056 0.000 1.008 312 K CA -1.673 54.652 56.287 0.063 0.000 0.928 312 K CB 0.208 32.749 32.500 0.068 0.000 0.983 312 K HN -0.168 nan 8.250 nan 0.000 0.484 313 P HA 0.003 nan 4.420 nan 0.000 0.276 313 P C 0.629 177.906 177.300 -0.039 0.000 1.261 313 P CA -0.454 62.666 63.100 0.032 0.000 0.800 313 P CB 0.563 32.297 31.700 0.057 0.000 1.066 314 L N -0.181 120.959 121.223 -0.139 0.000 2.034 314 L HA -0.128 4.265 4.340 0.088 0.000 0.217 314 L C 1.185 177.920 176.870 -0.224 0.000 1.077 314 L CA 2.013 56.661 54.840 -0.320 0.000 0.769 314 L CB -1.097 40.536 42.059 -0.710 0.000 0.890 314 L HN 0.551 nan 8.230 nan 0.000 0.435 315 D N -2.440 117.903 120.400 -0.095 0.000 2.896 315 D HA 0.100 4.793 4.640 0.088 0.000 0.241 315 D C 0.859 177.252 176.300 0.155 0.000 1.188 315 D CA 0.547 54.592 54.000 0.075 0.000 0.879 315 D CB 1.948 42.866 40.800 0.198 0.000 1.553 315 D HN 0.076 nan 8.370 nan 0.000 0.515 316 S N 2.668 118.471 115.700 0.171 0.000 2.442 316 S HA -0.139 4.383 4.470 0.088 0.000 0.236 316 S C 1.069 175.788 174.600 0.198 0.000 1.007 316 S CA 1.009 59.306 58.200 0.162 0.000 0.965 316 S CB -0.016 63.267 63.200 0.139 0.000 0.773 316 S HN 0.616 nan 8.310 nan 0.000 0.504 317 E N -0.361 120.015 120.200 0.293 0.000 2.413 317 E HA 0.205 4.608 4.350 0.088 0.000 0.203 317 E C 0.508 177.304 176.600 0.327 0.000 0.957 317 E CA -0.249 56.323 56.400 0.287 0.000 0.950 317 E CB 0.472 30.338 29.700 0.277 0.000 0.957 317 E HN 0.508 nan 8.360 nan 0.000 0.497 318 C N 3.589 123.121 119.300 0.387 0.000 2.538 318 C HA -0.063 4.450 4.460 0.088 0.000 0.408 318 C C 1.514 176.638 174.990 0.223 0.000 1.421 318 C CA 0.097 59.301 59.018 0.310 0.000 1.642 318 C CB -0.483 27.497 27.740 0.400 0.000 2.553 318 C HN 0.506 nan 8.230 nan 0.000 0.604 319 H N 4.119 123.330 119.070 0.235 0.000 2.507 319 H HA 0.221 4.826 4.556 0.083 0.000 0.294 319 H C 0.897 176.321 175.328 0.160 0.000 1.064 319 H CA -0.033 56.114 56.048 0.166 0.000 1.138 319 H CB -1.146 28.691 29.762 0.126 0.000 1.515 319 H HN 0.830 nan 8.280 nan 0.000 0.547 320 C N 0.048 119.478 119.300 0.217 0.000 2.649 320 C HA 0.628 5.141 4.460 0.088 0.000 0.377 320 C C 2.228 177.358 174.990 0.233 0.000 1.321 320 C CA 0.111 59.271 59.018 0.237 0.000 2.368 320 C CB 0.739 28.612 27.740 0.222 0.000 2.597 320 C HN 0.552 nan 8.230 nan 0.000 0.678 321 A N 1.877 124.830 122.820 0.221 0.000 1.940 321 A HA -0.035 4.337 4.320 0.088 0.000 0.219 321 A C 2.084 179.814 177.584 0.243 0.000 1.176 321 A CA 2.262 54.416 52.037 0.196 0.000 0.631 321 A CB -0.953 18.171 19.000 0.207 0.000 0.814 321 A HN 1.055 nan 8.150 nan 0.000 0.446 322 V N -1.056 119.072 119.914 0.356 0.000 2.295 322 V HA -0.302 3.871 4.120 0.088 0.000 0.246 322 V C 2.502 178.803 176.094 0.345 0.000 1.049 322 V CA 2.014 64.619 62.300 0.509 0.000 1.024 322 V CB -1.147 30.920 31.823 0.407 0.000 0.648 322 V HN 0.685 nan 8.190 nan 0.000 0.447 323 C N -0.285 119.160 119.300 0.242 0.000 2.456 323 C HA -0.078 4.435 4.460 0.088 0.000 0.279 323 C C 2.672 177.723 174.990 0.101 0.000 1.427 323 C CA 0.471 59.586 59.018 0.160 0.000 1.778 323 C CB -1.220 26.627 27.740 0.178 0.000 1.842 323 C HN 0.609 nan 8.230 nan 0.000 0.531 324 Q N 0.163 120.008 119.800 0.075 0.000 2.331 324 Q HA -0.021 4.372 4.340 0.088 0.000 0.203 324 Q C 1.874 177.797 176.000 -0.128 0.000 0.944 324 Q CA 0.868 56.671 55.803 0.000 0.000 0.892 324 Q CB 0.157 28.902 28.738 0.012 0.000 0.983 324 Q HN 0.692 nan 8.270 nan 0.000 0.482 325 K N -1.354 118.896 120.400 -0.251 0.000 2.403 325 K HA 0.104 4.477 4.320 0.088 0.000 0.199 325 K C 0.249 176.453 176.600 -0.660 0.000 1.199 325 K CA 0.139 56.040 56.287 -0.644 0.000 0.924 325 K CB 0.845 32.540 32.500 -1.341 0.000 1.137 325 K HN -0.006 nan 8.250 nan 0.000 0.510 326 W N 2.311 123.641 121.300 0.050 0.000 2.639 326 W HA 0.336 5.021 4.660 0.042 0.000 0.347 326 W C 0.346 176.912 176.519 0.078 0.000 1.067 326 W CA -0.951 56.436 57.345 0.070 0.000 1.218 326 W CB 1.427 30.995 29.460 0.181 0.000 1.393 326 W HN -0.073 nan 8.180 nan 0.000 0.557 327 S N 0.822 116.718 115.700 0.327 0.000 2.672 327 S HA 0.410 4.933 4.470 0.088 0.000 0.276 327 S C 0.989 175.712 174.600 0.205 0.000 1.207 327 S CA -0.598 57.728 58.200 0.209 0.000 1.002 327 S CB 2.038 65.339 63.200 0.168 0.000 0.998 327 S HN 0.481 nan 8.310 nan 0.000 0.542 328 R N 0.657 121.223 120.500 0.109 0.000 2.091 328 R HA -0.092 4.301 4.340 0.088 0.000 0.238 328 R C 2.568 178.950 176.300 0.137 0.000 1.136 328 R CA 1.433 57.557 56.100 0.040 0.000 0.959 328 R CB -1.061 29.229 30.300 -0.017 0.000 0.856 328 R HN 0.829 nan 8.270 nan 0.000 0.437 329 A N 0.572 123.497 122.820 0.176 0.000 1.908 329 A HA -0.249 4.123 4.320 0.088 0.000 0.218 329 A C 2.003 179.765 177.584 0.297 0.000 1.181 329 A CA 1.460 53.618 52.037 0.203 0.000 0.627 329 A CB -0.746 18.348 19.000 0.156 0.000 0.818 329 A HN 0.455 nan 8.150 nan 0.000 0.445 330 Y N 0.412 120.813 120.300 0.169 0.000 2.163 330 Y HA -0.117 4.481 4.550 0.080 0.000 0.288 330 Y C 2.014 178.006 175.900 0.154 0.000 1.136 330 Y CA 1.525 59.736 58.100 0.184 0.000 1.147 330 Y CB -0.301 38.280 38.460 0.203 0.000 0.987 330 Y HN 0.267 nan 8.280 nan 0.000 0.509 331 I N -0.501 120.088 120.570 0.031 0.000 2.315 331 I HA -0.312 3.910 4.170 0.088 0.000 0.248 331 I C 2.397 178.447 176.117 -0.110 0.000 1.117 331 I CA 1.739 62.953 61.300 -0.144 0.000 1.404 331 I CB -0.610 37.350 38.000 -0.067 0.000 1.071 331 I HN 0.312 nan 8.210 nan 0.000 0.419 332 H N 0.560 119.590 119.070 -0.067 0.000 2.319 332 H HA -0.306 4.302 4.556 0.087 0.000 0.299 332 H C 2.388 177.693 175.328 -0.038 0.000 1.092 332 H CA 2.501 58.534 56.048 -0.025 0.000 1.302 332 H CB -0.248 29.563 29.762 0.081 0.000 1.373 332 H HN 0.407 nan 8.280 nan 0.000 0.497 333 H N -0.032 118.998 119.070 -0.067 0.000 2.319 333 H HA -0.105 4.502 4.556 0.086 0.000 0.299 333 H C 2.265 177.444 175.328 -0.248 0.000 1.092 333 H CA 2.185 58.148 56.048 -0.142 0.000 1.302 333 H CB -0.513 29.227 29.762 -0.035 0.000 1.373 333 H HN 0.417 nan 8.280 nan 0.000 0.497 334 L N -0.181 120.686 121.223 -0.593 0.000 2.012 334 L HA -0.181 4.212 4.340 0.088 0.000 0.210 334 L C 2.428 179.039 176.870 -0.432 0.000 1.073 334 L CA 1.012 55.486 54.840 -0.611 0.000 0.748 334 L CB -0.409 41.313 42.059 -0.562 0.000 0.891 334 L HN 0.374 nan 8.230 nan 0.000 0.431 335 I N -0.144 120.220 120.570 -0.343 0.000 2.252 335 I HA -0.235 3.988 4.170 0.088 0.000 0.245 335 I C 2.621 178.580 176.117 -0.263 0.000 1.102 335 I CA 1.505 62.648 61.300 -0.262 0.000 1.385 335 I CB -0.999 36.874 38.000 -0.211 0.000 1.064 335 I HN 0.295 nan 8.210 nan 0.000 0.414 336 R N 0.610 120.912 120.500 -0.330 0.000 2.189 336 R HA -0.009 4.384 4.340 0.088 0.000 0.223 336 R C 1.992 178.149 176.300 -0.238 0.000 1.092 336 R CA 1.105 57.038 56.100 -0.279 0.000 0.989 336 R CB -0.158 29.934 30.300 -0.347 0.000 0.876 336 R HN 0.308 nan 8.270 nan 0.000 0.457 337 A N 0.079 122.708 122.820 -0.319 0.000 2.251 337 A HA 0.225 4.597 4.320 0.088 0.000 0.209 337 A C 1.366 178.827 177.584 -0.205 0.000 1.187 337 A CA 0.608 52.480 52.037 -0.275 0.000 0.823 337 A CB 0.037 18.776 19.000 -0.434 0.000 0.846 337 A HN 0.385 nan 8.150 nan 0.000 0.486 338 G N -0.233 108.448 108.800 -0.199 0.000 2.179 338 G HA2 -0.220 3.793 3.960 0.088 0.000 0.257 338 G HA3 -0.220 3.793 3.960 0.088 0.000 0.257 338 G C -0.187 174.625 174.900 -0.146 0.000 1.010 338 G CA 0.318 45.329 45.100 -0.149 0.000 0.736 338 G HN 0.487 nan 8.290 nan 0.000 0.513 339 E N -0.552 119.533 120.200 -0.192 0.000 2.338 339 E HA 0.333 4.736 4.350 0.088 0.000 0.272 339 E C 1.845 178.355 176.600 -0.150 0.000 1.029 339 E CA -0.563 55.735 56.400 -0.170 0.000 0.872 339 E CB 0.705 30.274 29.700 -0.219 0.000 1.015 339 E HN 0.303 nan 8.360 nan 0.000 0.417 340 I N 2.247 122.751 120.570 -0.111 0.000 2.264 340 I HA -0.311 3.912 4.170 0.088 0.000 0.248 340 I C 2.215 178.263 176.117 -0.115 0.000 1.111 340 I CA 0.759 62.002 61.300 -0.095 0.000 1.382 340 I CB -0.197 37.763 38.000 -0.067 0.000 1.060 340 I HN 0.412 nan 8.210 nan 0.000 0.418 341 L N 1.220 122.362 121.223 -0.134 0.000 2.187 341 L HA -0.101 4.292 4.340 0.088 0.000 0.213 341 L C 2.251 178.989 176.870 -0.219 0.000 1.100 341 L CA 1.968 56.705 54.840 -0.171 0.000 0.765 341 L CB -1.111 40.841 42.059 -0.178 0.000 0.904 341 L HN 0.183 nan 8.230 nan 0.000 0.437 342 G N -1.083 107.579 108.800 -0.230 0.000 2.421 342 G HA2 -0.248 3.764 3.960 0.088 0.000 0.216 342 G HA3 -0.248 3.764 3.960 0.088 0.000 0.216 342 G C 1.609 176.412 174.900 -0.162 0.000 1.171 342 G CA 0.752 45.711 45.100 -0.235 0.000 0.775 342 G HN 0.604 nan 8.290 nan 0.000 0.543 343 A N 0.590 123.332 122.820 -0.130 0.000 1.902 343 A HA 0.024 4.397 4.320 0.088 0.000 0.217 343 A C 2.479 180.020 177.584 -0.072 0.000 1.181 343 A CA 1.873 53.856 52.037 -0.090 0.000 0.623 343 A CB -0.372 18.583 19.000 -0.076 0.000 0.818 343 A HN 0.387 nan 8.150 nan 0.000 0.443 344 M N -1.226 118.325 119.600 -0.083 0.000 2.080 344 M HA -0.145 4.387 4.480 0.088 0.000 0.260 344 M C 2.001 178.271 176.300 -0.050 0.000 1.068 344 M CA 1.302 56.565 55.300 -0.062 0.000 1.109 344 M CB -0.425 32.130 32.600 -0.076 0.000 1.342 344 M HN 0.326 nan 8.290 nan 0.000 0.405 345 L N -0.369 120.794 121.223 -0.101 0.000 2.056 345 L HA -0.121 4.272 4.340 0.088 0.000 0.207 345 L C 2.447 179.328 176.870 0.018 0.000 1.078 345 L CA 1.711 56.511 54.840 -0.067 0.000 0.749 345 L CB -0.849 41.100 42.059 -0.184 0.000 0.901 345 L HN 0.328 nan 8.230 nan 0.000 0.433 346 M N -1.238 118.349 119.600 -0.020 0.000 2.117 346 M HA -0.162 4.371 4.480 0.088 0.000 0.262 346 M C 2.199 178.540 176.300 0.069 0.000 1.065 346 M CA 1.718 57.028 55.300 0.016 0.000 1.114 346 M CB -1.469 31.105 32.600 -0.042 0.000 1.361 346 M HN 0.239 nan 8.290 nan 0.000 0.408 347 T N -0.135 114.438 114.554 0.032 0.000 2.777 347 T HA -0.168 4.235 4.350 0.088 0.000 0.266 347 T C 1.772 176.507 174.700 0.058 0.000 1.040 347 T CA 1.562 63.683 62.100 0.034 0.000 1.141 347 T CB -0.181 68.691 68.868 0.006 0.000 0.868 347 T HN 0.470 nan 8.240 nan 0.000 0.444 348 E N 0.170 120.416 120.200 0.077 0.000 2.051 348 E HA -0.253 4.150 4.350 0.088 0.000 0.192 348 E C 2.106 178.782 176.600 0.128 0.000 0.991 348 E CA 1.356 57.818 56.400 0.103 0.000 0.799 348 E CB -0.125 29.651 29.700 0.126 0.000 0.748 348 E HN 0.662 nan 8.360 nan 0.000 0.449 349 H N 0.578 119.706 119.070 0.096 0.000 2.319 349 H HA -0.092 4.514 4.556 0.083 0.000 0.299 349 H C 1.879 177.296 175.328 0.148 0.000 1.092 349 H CA 2.346 58.464 56.048 0.116 0.000 1.302 349 H CB -0.146 29.666 29.762 0.084 0.000 1.373 349 H HN 0.130 nan 8.280 nan 0.000 0.497 350 N N 0.289 118.979 118.700 -0.017 0.000 2.120 350 N HA -0.126 4.666 4.740 0.088 0.000 0.188 350 N C 2.122 177.638 175.510 0.010 0.000 1.024 350 N CA 1.573 54.644 53.050 0.035 0.000 0.852 350 N CB -0.265 38.331 38.487 0.182 0.000 1.003 350 N HN 0.467 nan 8.380 nan 0.000 0.424 351 I N 0.640 121.202 120.570 -0.013 0.000 2.315 351 I HA -0.186 4.037 4.170 0.088 0.000 0.248 351 I C 2.149 178.293 176.117 0.045 0.000 1.117 351 I CA 0.739 62.039 61.300 0.000 0.000 1.404 351 I CB -0.210 37.814 38.000 0.040 0.000 1.071 351 I HN 0.068 nan 8.210 nan 0.000 0.419 352 A N 0.618 123.451 122.820 0.022 0.000 1.930 352 A HA -0.251 4.122 4.320 0.088 0.000 0.217 352 A C 2.206 179.764 177.584 -0.043 0.000 1.175 352 A CA 1.305 53.352 52.037 0.017 0.000 0.627 352 A CB -0.888 18.133 19.000 0.034 0.000 0.815 352 A HN 0.448 nan 8.150 nan 0.000 0.443 353 F N -0.834 118.958 119.950 -0.263 0.000 2.102 353 F HA -0.172 4.405 4.527 0.084 0.000 0.298 353 F C 2.092 177.748 175.800 -0.241 0.000 1.105 353 F CA 1.684 59.494 58.000 -0.315 0.000 1.239 353 F CB -0.402 38.333 39.000 -0.442 0.000 0.991 353 F HN 0.288 nan 8.300 nan 0.000 0.474 354 Y N 0.839 120.945 120.300 -0.324 0.000 2.145 354 Y HA -0.254 4.349 4.550 0.088 0.000 0.286 354 Y C 2.638 178.324 175.900 -0.357 0.000 1.145 354 Y CA 1.855 59.651 58.100 -0.508 0.000 1.148 354 Y CB -0.861 37.150 38.460 -0.748 0.000 0.981 354 Y HN 0.116 nan 8.280 nan 0.000 0.507 355 Q N 0.004 119.790 119.800 -0.023 0.000 2.170 355 Q HA -0.207 4.185 4.340 0.088 0.000 0.203 355 Q C 2.122 178.099 176.000 -0.037 0.000 0.976 355 Q CA 1.393 57.212 55.803 0.026 0.000 0.858 355 Q CB -0.430 28.366 28.738 0.097 0.000 0.907 355 Q HN 0.633 nan 8.270 nan 0.000 0.433 356 Q N -0.007 119.732 119.800 -0.101 0.000 2.119 356 Q HA -0.114 4.279 4.340 0.088 0.000 0.201 356 Q C 2.077 178.042 176.000 -0.059 0.000 0.972 356 Q CA 0.722 56.494 55.803 -0.051 0.000 0.847 356 Q CB -0.085 28.621 28.738 -0.053 0.000 0.903 356 Q HN 0.199 nan 8.270 nan 0.000 0.433 357 L N 0.084 121.166 121.223 -0.235 0.000 2.046 357 L HA -0.182 4.211 4.340 0.088 0.000 0.208 357 L C 1.951 178.706 176.870 -0.193 0.000 1.077 357 L CA 1.689 56.408 54.840 -0.201 0.000 0.747 357 L CB -0.295 41.408 42.059 -0.593 0.000 0.896 357 L HN 0.207 nan 8.230 nan 0.000 0.432 358 M N -1.010 118.483 119.600 -0.178 0.000 2.175 358 M HA -0.160 4.373 4.480 0.088 0.000 0.264 358 M C 2.326 178.560 176.300 -0.110 0.000 1.063 358 M CA 1.511 56.746 55.300 -0.108 0.000 1.119 358 M CB -1.486 31.114 32.600 0.001 0.000 1.377 358 M HN 0.383 nan 8.290 nan 0.000 0.415 359 Q N 1.050 120.800 119.800 -0.084 0.000 2.084 359 Q HA -0.106 4.287 4.340 0.088 0.000 0.202 359 Q C 1.886 177.782 176.000 -0.173 0.000 0.978 359 Q CA 1.812 57.566 55.803 -0.082 0.000 0.844 359 Q CB -0.127 28.600 28.738 -0.017 0.000 0.898 359 Q HN 0.468 nan 8.270 nan 0.000 0.426 360 K N -0.373 119.878 120.400 -0.249 0.000 2.097 360 K HA -0.079 4.294 4.320 0.088 0.000 0.206 360 K C 2.086 178.260 176.600 -0.710 0.000 1.049 360 K CA 1.364 57.354 56.287 -0.495 0.000 0.933 360 K CB -0.158 31.985 32.500 -0.595 0.000 0.717 360 K HN 0.271 nan 8.250 nan 0.000 0.442 361 I N 0.785 121.036 120.570 -0.532 0.000 2.202 361 I HA -0.285 3.937 4.170 0.088 0.000 0.242 361 I C 2.444 178.349 176.117 -0.354 0.000 1.091 361 I CA 1.259 62.315 61.300 -0.407 0.000 1.368 361 I CB -0.205 37.653 38.000 -0.237 0.000 1.058 361 I HN 0.143 nan 8.210 nan 0.000 0.410 362 R N 0.656 121.005 120.500 -0.251 0.000 2.083 362 R HA -0.182 4.210 4.340 0.088 0.000 0.237 362 R C 1.950 178.151 176.300 -0.165 0.000 1.137 362 R CA 1.793 57.784 56.100 -0.182 0.000 0.951 362 R CB -0.487 29.747 30.300 -0.110 0.000 0.851 362 R HN 0.387 nan 8.270 nan 0.000 0.434 363 D N 0.224 120.522 120.400 -0.169 0.000 2.117 363 D HA -0.127 4.566 4.640 0.088 0.000 0.197 363 D C 2.071 178.300 176.300 -0.119 0.000 0.987 363 D CA 1.836 55.757 54.000 -0.132 0.000 0.829 363 D CB -0.280 40.441 40.800 -0.132 0.000 0.961 363 D HN 0.233 nan 8.370 nan 0.000 0.460 364 S N 0.406 116.008 115.700 -0.162 0.000 2.383 364 S HA -0.100 4.423 4.470 0.088 0.000 0.227 364 S C 2.271 176.890 174.600 0.032 0.000 1.026 364 S CA 0.500 58.674 58.200 -0.044 0.000 0.981 364 S CB -0.602 62.594 63.200 -0.006 0.000 0.818 364 S HN 0.241 nan 8.310 nan 0.000 0.472 365 I N 1.876 122.414 120.570 -0.053 0.000 2.202 365 I HA -0.134 4.088 4.170 0.088 0.000 0.242 365 I C 2.679 178.775 176.117 -0.035 0.000 1.091 365 I CA 1.269 62.535 61.300 -0.057 0.000 1.368 365 I CB -0.585 37.285 38.000 -0.217 0.000 1.058 365 I HN 0.302 nan 8.210 nan 0.000 0.410 366 S N 0.233 115.897 115.700 -0.060 0.000 2.400 366 S HA -0.189 4.333 4.470 0.088 0.000 0.232 366 S C 1.592 176.178 174.600 -0.024 0.000 1.025 366 S CA 1.293 59.465 58.200 -0.046 0.000 0.993 366 S CB -0.293 62.874 63.200 -0.055 0.000 0.808 366 S HN 0.494 nan 8.310 nan 0.000 0.478 367 E N -0.083 120.109 120.200 -0.014 0.000 2.474 367 E HA 0.258 4.660 4.350 0.088 0.000 0.195 367 E C 0.975 177.588 176.600 0.022 0.000 1.039 367 E CA 0.125 56.525 56.400 0.000 0.000 0.881 367 E CB 0.261 29.958 29.700 -0.004 0.000 0.970 367 E HN 0.475 nan 8.360 nan 0.000 0.486 368 G N 3.035 111.858 108.800 0.037 0.000 2.221 368 G HA2 -0.340 3.673 3.960 0.088 0.000 0.265 368 G HA3 -0.340 3.673 3.960 0.088 0.000 0.265 368 G C 0.551 175.498 174.900 0.079 0.000 1.041 368 G CA 0.720 45.855 45.100 0.058 0.000 0.807 368 G HN 0.422 nan 8.290 nan 0.000 0.502 369 R N -1.496 119.067 120.500 0.106 0.000 2.642 369 R HA 0.435 4.827 4.340 0.088 0.000 0.435 369 R C 1.282 177.698 176.300 0.193 0.000 1.046 369 R CA -0.135 56.034 56.100 0.115 0.000 1.103 369 R CB -0.198 30.153 30.300 0.085 0.000 1.425 369 R HN 0.253 nan 8.270 nan 0.000 0.586 370 F N 1.721 121.711 119.950 0.066 0.000 2.146 370 F HA -0.036 4.543 4.527 0.087 0.000 0.298 370 F C 2.218 178.111 175.800 0.155 0.000 1.096 370 F CA 1.618 59.688 58.000 0.116 0.000 1.275 370 F CB -0.190 38.848 39.000 0.063 0.000 1.008 370 F HN 0.151 nan 8.300 nan 0.000 0.480 371 S N -0.310 115.329 115.700 -0.101 0.000 2.370 371 S HA -0.304 4.219 4.470 0.088 0.000 0.226 371 S C 2.084 176.589 174.600 -0.159 0.000 1.033 371 S CA 1.713 59.780 58.200 -0.221 0.000 1.011 371 S CB -0.500 62.662 63.200 -0.064 0.000 0.852 371 S HN 0.597 nan 8.310 nan 0.000 0.457 372 Q N 0.049 119.826 119.800 -0.039 0.000 2.119 372 Q HA -0.030 4.363 4.340 0.088 0.000 0.201 372 Q C 1.730 177.727 176.000 -0.005 0.000 0.972 372 Q CA 1.764 57.561 55.803 -0.010 0.000 0.847 372 Q CB -0.718 28.040 28.738 0.033 0.000 0.903 372 Q HN 0.648 nan 8.270 nan 0.000 0.433 373 F N 0.311 120.213 119.950 -0.080 0.000 2.134 373 F HA -0.100 4.480 4.527 0.087 0.000 0.299 373 F C 1.859 177.627 175.800 -0.054 0.000 1.097 373 F CA 1.616 59.592 58.000 -0.041 0.000 1.264 373 F CB -0.706 38.311 39.000 0.028 0.000 1.001 373 F HN 0.131 nan 8.300 nan 0.000 0.479 374 A N 0.028 122.631 122.820 -0.361 0.000 1.902 374 A HA -0.266 4.107 4.320 0.088 0.000 0.217 374 A C 2.278 179.752 177.584 -0.183 0.000 1.181 374 A CA 1.819 53.633 52.037 -0.371 0.000 0.623 374 A CB -1.114 17.591 19.000 -0.491 0.000 0.818 374 A HN 0.626 nan 8.150 nan 0.000 0.443 375 Q N -0.504 119.204 119.800 -0.154 0.000 2.050 375 Q HA -0.228 4.165 4.340 0.088 0.000 0.202 375 Q C 1.355 177.311 176.000 -0.073 0.000 0.980 375 Q CA 1.869 57.628 55.803 -0.074 0.000 0.840 375 Q CB -0.170 28.533 28.738 -0.057 0.000 0.898 375 Q HN 0.610 nan 8.270 nan 0.000 0.424 376 D N -0.078 120.254 120.400 -0.113 0.000 2.117 376 D HA -0.161 4.532 4.640 0.088 0.000 0.197 376 D C 1.585 177.803 176.300 -0.137 0.000 0.987 376 D CA 0.889 54.826 54.000 -0.104 0.000 0.829 376 D CB -0.412 40.333 40.800 -0.090 0.000 0.961 376 D HN 0.280 nan 8.370 nan 0.000 0.460 377 F N 2.235 121.938 119.950 -0.412 0.000 2.069 377 F HA -0.166 4.413 4.527 0.087 0.000 0.298 377 F C 2.305 178.026 175.800 -0.133 0.000 1.113 377 F CA 1.531 59.312 58.000 -0.365 0.000 1.214 377 F CB -0.115 38.483 39.000 -0.670 0.000 0.978 377 F HN -0.217 nan 8.300 nan 0.000 0.474 378 R N 0.393 120.751 120.500 -0.237 0.000 2.091 378 R HA -0.151 4.242 4.340 0.088 0.000 0.238 378 R C 2.488 178.781 176.300 -0.012 0.000 1.136 378 R CA 1.275 57.310 56.100 -0.108 0.000 0.959 378 R CB -1.053 29.387 30.300 0.234 0.000 0.856 378 R HN 0.447 nan 8.270 nan 0.000 0.437 379 A N 1.220 124.028 122.820 -0.020 0.000 1.883 379 A HA -0.205 4.167 4.320 0.088 0.000 0.217 379 A C 2.187 179.758 177.584 -0.021 0.000 1.186 379 A CA 1.388 53.431 52.037 0.011 0.000 0.624 379 A CB -0.461 18.535 19.000 -0.006 0.000 0.822 379 A HN 0.181 nan 8.150 nan 0.000 0.444 380 R N -2.526 117.924 120.500 -0.083 0.000 2.075 380 R HA -0.070 4.322 4.340 0.088 0.000 0.226 380 R C 2.060 178.286 176.300 -0.123 0.000 1.114 380 R CA 1.333 57.396 56.100 -0.061 0.000 0.972 380 R CB -0.398 29.897 30.300 -0.008 0.000 0.869 380 R HN 0.627 nan 8.270 nan 0.000 0.437 381 Y N 0.065 120.072 120.300 -0.488 0.000 2.274 381 Y HA -0.132 4.470 4.550 0.086 0.000 0.290 381 Y C 0.125 175.669 175.900 -0.594 0.000 1.145 381 Y CA 1.203 58.891 58.100 -0.686 0.000 1.203 381 Y CB 0.081 37.694 38.460 -1.412 0.000 0.984 381 Y HN -0.128 nan 8.280 nan 0.000 0.533 382 F N 0.000 119.910 119.950 -0.066 0.000 2.286 382 F HA 0.000 4.581 4.527 0.089 0.000 0.279 382 F CA 0.000 57.965 58.000 -0.058 0.000 1.383 382 F CB 0.000 38.999 39.000 -0.001 0.000 1.145 382 F HN 0.000 nan 8.300 nan 0.000 0.574