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 3ge7_1_A DATA FIRST_RESID 11 DATA SEQUENCE RPRFSFSIAA REGKARTGTI EMKRGVIRTP AFMPVGTAAT VKALKPETVR DATA SEQUENCE ATGADIILGN TYHLMLRPGA ERIAKLGGLH SFMGWDRPIL TDSGGYQVMX DATA SEQUENCE XXXXTKQSEE GVTFXXXXXX XXXMLSPERS 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 YFA 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 0.000 176.309 176.300 0.016 0.000 0.893 11 R CA 0.000 56.100 56.100 0.001 0.000 0.921 11 R CB 0.000 30.297 30.300 -0.004 0.000 0.687 12 P HA 0.118 nan 4.420 nan 0.000 0.274 12 P C -0.142 177.206 177.300 0.081 0.000 1.246 12 P CA -0.423 62.707 63.100 0.050 0.000 0.795 12 P CB 0.902 32.633 31.700 0.050 0.000 1.006 13 R N 0.296 120.866 120.500 0.117 0.000 2.091 13 R HA -0.085 4.307 4.340 0.087 0.000 0.238 13 R C -0.286 176.183 176.300 0.281 0.000 1.136 13 R CA 1.260 57.463 56.100 0.173 0.000 0.959 13 R CB -0.129 30.277 30.300 0.177 0.000 0.856 13 R HN 0.534 nan 8.270 nan 0.000 0.437 14 F N -0.497 119.507 119.950 0.091 0.000 2.670 14 F HA 0.275 4.854 4.527 0.087 0.000 0.332 14 F C -1.621 174.244 175.800 0.108 0.000 1.179 14 F CA -0.554 57.513 58.000 0.111 0.000 1.076 14 F CB 1.910 40.991 39.000 0.135 0.000 1.322 14 F HN -0.142 nan 8.300 nan 0.000 0.515 15 S N 6.645 122.154 115.700 -0.319 0.000 2.736 15 S HA 0.557 5.079 4.470 0.087 0.000 0.285 15 S C -1.894 172.558 174.600 -0.247 0.000 1.163 15 S CA -0.367 57.736 58.200 -0.162 0.000 1.025 15 S CB 0.543 63.707 63.200 -0.060 0.000 1.030 15 S HN 0.539 nan 8.310 nan 0.000 0.486 16 F N 4.801 124.576 119.950 -0.292 0.000 2.415 16 F HA 0.738 5.317 4.527 0.086 0.000 0.348 16 F C -0.131 175.612 175.800 -0.095 0.000 1.119 16 F CA -0.492 57.383 58.000 -0.208 0.000 1.069 16 F CB 1.575 40.518 39.000 -0.095 0.000 1.124 16 F HN 0.467 nan 8.300 nan 0.000 0.472 17 S N 7.006 122.392 115.700 -0.525 0.000 2.532 17 S HA 0.651 5.173 4.470 0.087 0.000 0.299 17 S C -0.793 173.401 174.600 -0.678 0.000 1.105 17 S CA -0.679 57.221 58.200 -0.499 0.000 1.018 17 S CB 0.618 63.672 63.200 -0.244 0.000 1.021 17 S HN 0.562 nan 8.310 nan 0.000 0.483 18 I N 4.647 124.857 120.570 -0.600 0.000 2.312 18 I HA 0.359 4.581 4.170 0.087 0.000 0.291 18 I C 1.086 177.060 176.117 -0.238 0.000 1.031 18 I CA -0.402 60.634 61.300 -0.440 0.000 1.293 18 I CB 1.492 39.280 38.000 -0.354 0.000 1.403 18 I HN 0.847 nan 8.210 nan 0.000 0.484 19 A N 5.350 128.062 122.820 -0.180 0.000 2.115 19 A HA 0.690 5.063 4.320 0.087 0.000 0.211 19 A C 0.872 178.403 177.584 -0.089 0.000 1.169 19 A CA 0.634 52.600 52.037 -0.119 0.000 0.787 19 A CB 0.244 19.184 19.000 -0.100 0.000 0.858 19 A HN 0.740 nan 8.150 nan 0.000 0.474 20 A N -0.696 122.073 122.820 -0.086 0.000 2.604 20 A HA 0.729 5.101 4.320 0.087 0.000 0.295 20 A C -0.846 176.706 177.584 -0.052 0.000 1.067 20 A CA -0.767 51.234 52.037 -0.059 0.000 0.683 20 A CB 1.046 20.015 19.000 -0.052 0.000 1.281 20 A HN 0.273 nan 8.150 nan 0.000 0.407 21 R N 0.275 120.758 120.500 -0.028 0.000 2.771 21 R HA 0.739 5.131 4.340 0.087 0.000 0.274 21 R C -1.280 175.031 176.300 0.019 0.000 0.987 21 R CA -0.719 55.376 56.100 -0.008 0.000 0.908 21 R CB 2.599 32.899 30.300 -0.000 0.000 1.213 21 R HN 0.780 nan 8.270 nan 0.000 0.468 22 E N 0.915 121.144 120.200 0.047 0.000 2.378 22 E HA 0.298 4.700 4.350 0.087 0.000 0.282 22 E C -0.004 176.665 176.600 0.115 0.000 0.910 22 E CA 0.149 56.604 56.400 0.091 0.000 0.816 22 E CB 1.119 30.906 29.700 0.145 0.000 1.359 22 E HN 0.800 nan 8.360 nan 0.000 0.397 23 G N 4.596 113.447 108.800 0.084 0.000 2.591 23 G HA2 -0.403 3.609 3.960 0.087 0.000 0.298 23 G HA3 -0.403 3.609 3.960 0.087 0.000 0.298 23 G C 0.639 175.584 174.900 0.076 0.000 1.195 23 G CA 0.552 45.699 45.100 0.078 0.000 0.989 23 G HN 0.571 nan 8.290 nan 0.000 0.551 24 K N 1.442 121.895 120.400 0.087 0.000 2.426 24 K HA 0.493 4.865 4.320 0.087 0.000 0.193 24 K C 1.353 178.011 176.600 0.097 0.000 1.028 24 K CA 0.536 56.874 56.287 0.086 0.000 1.047 24 K CB 0.211 32.756 32.500 0.075 0.000 0.821 24 K HN 0.756 nan 8.250 nan 0.000 0.513 25 A N 1.843 124.728 122.820 0.108 0.000 2.371 25 A HA 0.402 4.774 4.320 0.087 0.000 0.257 25 A C -0.369 177.216 177.584 0.002 0.000 1.089 25 A CA -0.241 51.826 52.037 0.050 0.000 0.794 25 A CB 0.343 19.354 19.000 0.019 0.000 1.029 25 A HN 0.153 nan 8.150 nan 0.000 0.488 26 R N 0.007 120.493 120.500 -0.023 0.000 2.744 26 R HA 0.745 5.138 4.340 0.087 0.000 0.279 26 R C -0.608 175.662 176.300 -0.051 0.000 0.977 26 R CA -0.417 55.669 56.100 -0.023 0.000 0.906 26 R CB 2.078 32.395 30.300 0.028 0.000 1.197 26 R HN 0.670 nan 8.270 nan 0.000 0.463 27 T N -0.133 114.381 114.554 -0.066 0.000 2.893 27 T HA 0.831 5.234 4.350 0.087 0.000 0.293 27 T C -0.535 174.120 174.700 -0.075 0.000 1.027 27 T CA 0.024 62.087 62.100 -0.062 0.000 0.988 27 T CB 1.453 70.264 68.868 -0.096 0.000 1.043 27 T HN 0.759 nan 8.240 nan 0.000 0.461 28 G N 1.790 110.565 108.800 -0.043 0.000 2.474 28 G HA2 0.598 4.610 3.960 0.087 0.000 0.234 28 G HA3 0.598 4.610 3.960 0.087 0.000 0.234 28 G C -0.948 173.942 174.900 -0.017 0.000 1.204 28 G CA 0.051 45.094 45.100 -0.096 0.000 0.939 28 G HN 1.189 nan 8.290 nan 0.000 0.491 29 T N -1.549 112.984 114.554 -0.036 0.000 2.956 29 T HA 0.688 5.090 4.350 0.087 0.000 0.312 29 T C -0.983 173.769 174.700 0.087 0.000 1.151 29 T CA -0.509 61.605 62.100 0.023 0.000 1.024 29 T CB 1.798 70.648 68.868 -0.030 0.000 1.140 29 T HN 0.628 nan 8.240 nan 0.000 0.473 30 I N 2.089 122.704 120.570 0.074 0.000 2.330 30 I HA 0.352 4.574 4.170 0.087 0.000 0.289 30 I C 0.068 176.120 176.117 -0.107 0.000 1.001 30 I CA -0.712 60.550 61.300 -0.063 0.000 1.193 30 I CB 1.412 39.350 38.000 -0.103 0.000 1.345 30 I HN 0.659 nan 8.210 nan 0.000 0.461 31 E N 7.603 127.708 120.200 -0.158 0.000 2.174 31 E HA 0.605 5.007 4.350 0.087 0.000 0.282 31 E C -0.759 175.787 176.600 -0.090 0.000 0.992 31 E CA -0.439 55.904 56.400 -0.096 0.000 0.803 31 E CB 1.806 31.465 29.700 -0.070 0.000 1.090 31 E HN 0.480 nan 8.360 nan 0.000 0.396 32 M N 1.507 121.096 119.600 -0.018 0.000 2.691 32 M HA 0.313 4.845 4.480 0.087 0.000 0.293 32 M C 0.774 177.094 176.300 0.032 0.000 1.259 32 M CA -0.891 54.436 55.300 0.046 0.000 0.827 32 M CB 1.854 34.510 32.600 0.093 0.000 1.753 32 M HN 0.282 nan 8.290 nan 0.000 0.465 33 K N 0.370 120.797 120.400 0.046 0.000 2.103 33 K HA -0.091 4.281 4.320 0.087 0.000 0.207 33 K C 1.413 178.004 176.600 -0.015 0.000 1.048 33 K CA 1.450 57.745 56.287 0.013 0.000 0.930 33 K CB -0.053 32.455 32.500 0.013 0.000 0.716 33 K HN 0.483 nan 8.250 nan 0.000 0.444 34 R N 0.278 120.767 120.500 -0.018 0.000 2.310 34 R HA 0.071 4.463 4.340 0.087 0.000 0.202 34 R C 0.466 176.739 176.300 -0.045 0.000 0.933 34 R CA 0.206 56.274 56.100 -0.054 0.000 1.054 34 R CB 0.654 30.907 30.300 -0.079 0.000 0.985 34 R HN 0.252 nan 8.270 nan 0.000 0.489 35 G N -0.695 108.094 108.800 -0.020 0.000 2.356 35 G HA2 0.048 4.060 3.960 0.087 0.000 0.300 35 G HA3 0.048 4.060 3.960 0.087 0.000 0.300 35 G C -1.598 173.299 174.900 -0.005 0.000 1.331 35 G CA -1.022 44.065 45.100 -0.022 0.000 0.905 35 G HN -0.091 nan 8.290 nan 0.000 0.587 36 V N 0.407 120.317 119.914 -0.008 0.000 2.472 36 V HA 0.637 4.809 4.120 0.087 0.000 0.290 36 V C 0.202 176.306 176.094 0.017 0.000 1.037 36 V CA -0.519 61.778 62.300 -0.005 0.000 0.908 36 V CB 1.432 33.247 31.823 -0.013 0.000 0.985 36 V HN 0.601 nan 8.190 nan 0.000 0.454 37 I N 4.777 125.360 120.570 0.022 0.000 2.355 37 I HA 0.456 4.679 4.170 0.087 0.000 0.288 37 I C 0.337 176.481 176.117 0.045 0.000 0.999 37 I CA -0.453 60.871 61.300 0.041 0.000 1.163 37 I CB 1.200 39.223 38.000 0.038 0.000 1.316 37 I HN 0.490 nan 8.210 nan 0.000 0.454 38 R N 3.968 124.496 120.500 0.047 0.000 2.389 38 R HA 0.354 4.747 4.340 0.087 0.000 0.295 38 R C 0.012 176.350 176.300 0.063 0.000 1.075 38 R CA -0.138 55.988 56.100 0.043 0.000 1.005 38 R CB 0.782 31.100 30.300 0.029 0.000 0.987 38 R HN 0.653 nan 8.270 nan 0.000 0.452 39 T N 0.728 115.327 114.554 0.075 0.000 2.885 39 T HA 0.467 4.869 4.350 0.087 0.000 0.285 39 T C -2.648 172.085 174.700 0.054 0.000 1.019 39 T CA -2.831 59.328 62.100 0.098 0.000 1.010 39 T CB 2.233 71.207 68.868 0.176 0.000 1.022 39 T HN 0.194 nan 8.240 nan 0.000 0.466 40 P HA 0.434 nan 4.420 nan 0.000 0.271 40 P C -1.008 176.388 177.300 0.161 0.000 1.216 40 P CA -0.241 62.938 63.100 0.131 0.000 0.771 40 P CB 0.436 32.242 31.700 0.176 0.000 0.864 41 A N 3.538 126.479 122.820 0.202 0.000 2.330 41 A HA 0.645 5.018 4.320 0.087 0.000 0.327 41 A C -1.302 176.473 177.584 0.318 0.000 1.155 41 A CA -0.498 51.651 52.037 0.186 0.000 0.803 41 A CB 0.343 19.390 19.000 0.078 0.000 1.208 41 A HN 0.481 nan 8.150 nan 0.000 0.477 42 F N 2.673 122.714 119.950 0.152 0.000 2.427 42 F HA 0.655 5.231 4.527 0.083 0.000 0.346 42 F C -0.208 175.637 175.800 0.074 0.000 1.120 42 F CA -0.873 57.225 58.000 0.164 0.000 1.033 42 F CB 1.438 40.534 39.000 0.160 0.000 1.126 42 F HN 0.488 nan 8.300 nan 0.000 0.462 43 M N 8.673 127.797 119.600 -0.792 0.000 2.047 43 M HA 0.346 4.878 4.480 0.087 0.000 0.342 43 M C -2.486 173.346 176.300 -0.780 0.000 1.058 43 M CA -1.878 53.069 55.300 -0.590 0.000 0.991 43 M CB 0.980 33.322 32.600 -0.430 0.000 1.474 43 M HN 0.310 nan 8.290 nan 0.000 0.419 44 P HA 0.074 nan 4.420 nan 0.000 0.267 44 P C -0.684 176.445 177.300 -0.286 0.000 1.200 44 P CA -0.231 62.714 63.100 -0.258 0.000 0.772 44 P CB 0.586 32.202 31.700 -0.139 0.000 0.855 45 V N 2.900 122.695 119.914 -0.198 0.000 2.394 45 V HA 0.597 4.769 4.120 0.087 0.000 0.282 45 V C 0.859 176.855 176.094 -0.163 0.000 1.031 45 V CA -0.184 62.009 62.300 -0.177 0.000 0.881 45 V CB 1.277 33.028 31.823 -0.121 0.000 0.982 45 V HN 0.714 nan 8.190 nan 0.000 0.451 46 G N 2.518 111.211 108.800 -0.177 0.000 2.417 46 G HA2 0.588 4.600 3.960 0.087 0.000 0.320 46 G HA3 0.588 4.600 3.960 0.087 0.000 0.320 46 G C -0.459 174.357 174.900 -0.140 0.000 1.204 46 G CA -0.316 44.688 45.100 -0.160 0.000 0.923 46 G HN 0.583 nan 8.290 nan 0.000 0.466 47 T N 1.005 115.468 114.554 -0.151 0.000 2.823 47 T HA 0.518 4.920 4.350 0.087 0.000 0.279 47 T C 0.760 175.375 174.700 -0.141 0.000 0.998 47 T CA 0.873 62.833 62.100 -0.232 0.000 0.994 47 T CB 1.511 70.152 68.868 -0.378 0.000 0.960 47 T HN 1.832 nan 8.240 nan 0.000 0.448 48 A N 2.477 125.255 122.820 -0.071 0.000 2.846 48 A HA 0.102 4.475 4.320 0.087 0.000 0.287 48 A C 1.231 178.840 177.584 0.043 0.000 1.469 48 A CA 0.908 52.966 52.037 0.035 0.000 0.757 48 A CB -2.325 16.698 19.000 0.037 0.000 1.033 48 A HN 2.571 nan 8.150 nan 0.000 0.516 49 A N -2.868 119.973 122.820 0.035 0.000 2.869 49 A HA 0.243 4.615 4.320 0.087 0.000 0.280 49 A C 1.308 178.874 177.584 -0.030 0.000 1.458 49 A CA 2.404 54.470 52.037 0.048 0.000 0.776 49 A CB -2.298 16.830 19.000 0.212 0.000 1.028 49 A HN 3.192 nan 8.150 nan 0.000 0.547 50 T N -1.715 112.801 114.554 -0.063 0.000 2.942 50 T HA 0.506 4.908 4.350 0.087 0.000 0.327 50 T C -0.626 174.011 174.700 -0.105 0.000 1.360 50 T CA 0.235 62.286 62.100 -0.082 0.000 1.055 50 T CB 1.502 70.329 68.868 -0.068 0.000 1.261 50 T HN 1.182 nan 8.240 nan 0.000 0.485 51 V N 5.965 125.808 119.914 -0.119 0.000 2.405 51 V HA 0.358 4.530 4.120 0.087 0.000 0.264 51 V C 0.307 176.355 176.094 -0.077 0.000 1.048 51 V CA -0.720 61.508 62.300 -0.120 0.000 0.966 51 V CB 0.496 32.227 31.823 -0.154 0.000 1.015 51 V HN 0.716 nan 8.190 nan 0.000 0.477 52 K N 4.328 124.687 120.400 -0.069 0.000 2.472 52 K HA 0.302 4.675 4.320 0.087 0.000 0.280 52 K C 1.073 177.649 176.600 -0.040 0.000 1.028 52 K CA 0.795 57.051 56.287 -0.052 0.000 1.045 52 K CB -0.224 32.247 32.500 -0.049 0.000 0.902 52 K HN 1.115 nan 8.250 nan 0.000 0.478 53 A N 2.055 124.854 122.820 -0.036 0.000 3.021 53 A HA -0.202 4.171 4.320 0.087 0.000 0.257 53 A C -0.191 177.382 177.584 -0.018 0.000 1.277 53 A CA 1.019 53.038 52.037 -0.030 0.000 1.012 53 A CB -2.119 16.860 19.000 -0.035 0.000 1.147 53 A HN 0.465 nan 8.150 nan 0.000 0.861 54 L N -0.580 120.634 121.223 -0.015 0.000 2.385 54 L HA 0.450 4.842 4.340 0.087 0.000 0.273 54 L C 0.386 177.264 176.870 0.013 0.000 0.990 54 L CA -0.938 53.906 54.840 0.006 0.000 0.821 54 L CB 1.845 43.910 42.059 0.011 0.000 1.279 54 L HN 0.233 nan 8.230 nan 0.000 0.412 55 K N 2.696 123.116 120.400 0.033 0.000 2.414 55 K HA 0.089 4.461 4.320 0.087 0.000 0.272 55 K C -1.551 175.104 176.600 0.092 0.000 0.993 55 K CA -1.332 54.985 56.287 0.050 0.000 0.964 55 K CB 0.696 33.228 32.500 0.054 0.000 0.925 55 K HN 0.272 nan 8.250 nan 0.000 0.487 56 P HA -0.267 nan 4.420 nan 0.000 0.216 56 P C 0.850 178.320 177.300 0.284 0.000 1.150 56 P CA 1.461 64.728 63.100 0.278 0.000 0.843 56 P CB 0.042 31.949 31.700 0.345 0.000 0.787 57 E N -0.956 119.344 120.200 0.166 0.000 2.153 57 E HA -0.128 4.274 4.350 0.087 0.000 0.194 57 E C 1.295 177.977 176.600 0.137 0.000 0.988 57 E CA 1.441 57.916 56.400 0.126 0.000 0.811 57 E CB -1.421 28.326 29.700 0.078 0.000 0.746 57 E HN 0.164 nan 8.360 nan 0.000 0.466 58 T N 1.270 115.902 114.554 0.130 0.000 2.812 58 T HA -0.059 4.343 4.350 0.087 0.000 0.264 58 T C 2.126 176.910 174.700 0.140 0.000 1.042 58 T CA 1.169 63.342 62.100 0.121 0.000 1.140 58 T CB -0.177 68.750 68.868 0.098 0.000 0.870 58 T HN 0.031 nan 8.240 nan 0.000 0.445 59 V N 1.939 121.948 119.914 0.157 0.000 2.332 59 V HA -0.189 3.983 4.120 0.087 0.000 0.248 59 V C 2.666 178.918 176.094 0.264 0.000 1.055 59 V CA 1.763 64.159 62.300 0.160 0.000 1.038 59 V CB -0.594 31.274 31.823 0.075 0.000 0.651 59 V HN 0.262 nan 8.190 nan 0.000 0.450 60 R N 1.215 121.937 120.500 0.370 0.000 2.081 60 R HA -0.051 4.341 4.340 0.087 0.000 0.235 60 R C 2.107 178.510 176.300 0.171 0.000 1.131 60 R CA 1.860 58.137 56.100 0.294 0.000 0.960 60 R CB -1.022 29.368 30.300 0.150 0.000 0.856 60 R HN 0.435 nan 8.270 nan 0.000 0.436 61 A N -0.413 122.493 122.820 0.142 0.000 2.019 61 A HA -0.132 4.240 4.320 0.087 0.000 0.219 61 A C 2.044 179.700 177.584 0.120 0.000 1.164 61 A CA 1.879 53.983 52.037 0.112 0.000 0.644 61 A CB -1.086 17.977 19.000 0.105 0.000 0.805 61 A HN 0.634 nan 8.150 nan 0.000 0.449 62 T N -4.433 110.201 114.554 0.134 0.000 3.035 62 T HA 0.328 4.730 4.350 0.087 0.000 0.268 62 T C 1.427 176.202 174.700 0.126 0.000 1.109 62 T CA 1.356 63.533 62.100 0.128 0.000 1.119 62 T CB -0.055 68.886 68.868 0.122 0.000 0.900 62 T HN 1.629 nan 8.240 nan 0.000 0.503 63 G N 0.718 109.598 108.800 0.134 0.000 2.192 63 G HA2 0.091 4.103 3.960 0.087 0.000 0.193 63 G HA3 0.091 4.103 3.960 0.087 0.000 0.193 63 G C 0.251 175.242 174.900 0.152 0.000 0.999 63 G CA -0.186 44.989 45.100 0.124 0.000 0.659 63 G HN 1.085 nan 8.290 nan 0.000 0.503 64 A N 0.346 123.282 122.820 0.195 0.000 2.511 64 A HA 0.524 4.897 4.320 0.087 0.000 0.242 64 A C 1.017 178.783 177.584 0.303 0.000 1.069 64 A CA 1.019 53.190 52.037 0.223 0.000 0.763 64 A CB 0.298 19.409 19.000 0.186 0.000 1.001 64 A HN 0.163 nan 8.150 nan 0.000 0.498 65 D N 0.464 121.009 120.400 0.240 0.000 2.392 65 D HA 0.228 4.920 4.640 0.087 0.000 0.206 65 D C 0.177 176.679 176.300 0.337 0.000 1.046 65 D CA 0.805 54.943 54.000 0.230 0.000 0.865 65 D CB 0.461 41.336 40.800 0.125 0.000 0.969 65 D HN 0.556 nan 8.370 nan 0.000 0.509 66 I N 0.597 121.353 120.570 0.310 0.000 2.842 66 I HA 0.283 4.505 4.170 0.087 0.000 0.297 66 I C -1.758 174.319 176.117 -0.065 0.000 1.380 66 I CA -0.974 60.464 61.300 0.229 0.000 1.018 66 I CB 2.287 40.338 38.000 0.084 0.000 1.311 66 I HN -0.226 nan 8.210 nan 0.000 0.439 67 I N 3.349 123.760 120.570 -0.266 0.000 2.892 67 I HA 0.578 4.801 4.170 0.087 0.000 0.306 67 I C -1.816 174.104 176.117 -0.330 0.000 1.078 67 I CA -1.001 60.024 61.300 -0.459 0.000 1.032 67 I CB 2.073 39.573 38.000 -0.834 0.000 1.229 67 I HN 0.432 nan 8.210 nan 0.000 0.435 68 L N 2.954 123.996 121.223 -0.302 0.000 2.307 68 L HA 0.704 5.096 4.340 0.087 0.000 0.282 68 L C 0.528 177.285 176.870 -0.189 0.000 1.051 68 L CA 0.292 55.001 54.840 -0.219 0.000 0.804 68 L CB 1.579 43.530 42.059 -0.178 0.000 1.197 68 L HN 0.852 nan 8.230 nan 0.000 0.431 69 G N 1.216 109.934 108.800 -0.136 0.000 2.389 69 G HA2 0.181 4.193 3.960 0.087 0.000 0.328 69 G HA3 0.181 4.193 3.960 0.087 0.000 0.328 69 G C -0.477 174.404 174.900 -0.033 0.000 1.133 69 G CA -0.463 44.581 45.100 -0.094 0.000 0.891 69 G HN 0.520 nan 8.290 nan 0.000 0.485 70 N N 1.338 120.037 118.700 -0.002 0.000 2.719 70 N HA 0.098 4.890 4.740 0.087 0.000 0.243 70 N C 1.467 177.071 175.510 0.158 0.000 1.104 70 N CA -0.184 52.911 53.050 0.076 0.000 0.981 70 N CB 0.786 39.279 38.487 0.009 0.000 1.290 70 N HN 0.344 nan 8.380 nan 0.000 0.513 71 T N 1.681 116.328 114.554 0.154 0.000 2.684 71 T HA -0.204 4.198 4.350 0.087 0.000 0.267 71 T C 1.487 176.301 174.700 0.191 0.000 1.036 71 T CA 1.268 63.456 62.100 0.148 0.000 1.148 71 T CB -0.381 68.570 68.868 0.139 0.000 0.863 71 T HN 0.632 nan 8.240 nan 0.000 0.436 72 Y N 1.451 121.831 120.300 0.133 0.000 2.097 72 Y HA -0.282 4.320 4.550 0.086 0.000 0.282 72 Y C 2.428 178.374 175.900 0.077 0.000 1.152 72 Y CA 1.932 60.085 58.100 0.089 0.000 1.136 72 Y CB -0.560 37.928 38.460 0.045 0.000 0.975 72 Y HN 0.378 nan 8.280 nan 0.000 0.498 73 H N -0.327 118.815 119.070 0.120 0.000 2.321 73 H HA -0.144 4.466 4.556 0.089 0.000 0.300 73 H C 2.276 177.586 175.328 -0.030 0.000 1.087 73 H CA 2.167 58.226 56.048 0.018 0.000 1.319 73 H CB -0.596 29.229 29.762 0.105 0.000 1.379 73 H HN 0.341 nan 8.280 nan 0.000 0.501 74 L N 0.349 121.655 121.223 0.137 0.000 2.141 74 L HA -0.146 4.246 4.340 0.087 0.000 0.209 74 L C 2.350 179.220 176.870 -0.000 0.000 1.094 74 L CA 1.116 55.994 54.840 0.063 0.000 0.763 74 L CB -0.400 41.692 42.059 0.055 0.000 0.908 74 L HN 0.445 nan 8.230 nan 0.000 0.437 75 M N -1.692 117.899 119.600 -0.014 0.000 2.394 75 M HA -0.113 4.419 4.480 0.087 0.000 0.264 75 M C 1.835 178.094 176.300 -0.067 0.000 1.073 75 M CA 1.703 56.983 55.300 -0.033 0.000 1.111 75 M CB -0.349 32.250 32.600 -0.002 0.000 1.401 75 M HN 0.139 nan 8.290 nan 0.000 0.448 76 L N 0.551 121.709 121.223 -0.108 0.000 2.130 76 L HA 0.192 4.584 4.340 0.087 0.000 0.200 76 L C 1.494 178.326 176.870 -0.064 0.000 1.075 76 L CA 0.806 55.574 54.840 -0.121 0.000 0.768 76 L CB -0.379 41.555 42.059 -0.208 0.000 0.933 76 L HN 0.452 nan 8.230 nan 0.000 0.451 77 R N 0.251 120.734 120.500 -0.027 0.000 2.510 77 R HA 0.414 4.807 4.340 0.087 0.000 0.287 77 R C -2.648 173.680 176.300 0.046 0.000 1.084 77 R CA -1.276 54.830 56.100 0.010 0.000 0.934 77 R CB -0.294 30.021 30.300 0.025 0.000 1.201 77 R HN -0.105 nan 8.270 nan 0.000 0.431 78 P HA 0.229 nan 4.420 nan 0.000 0.255 78 P C 0.355 177.620 177.300 -0.058 0.000 1.248 78 P CA 0.733 63.825 63.100 -0.012 0.000 0.807 78 P CB 0.728 32.405 31.700 -0.038 0.000 1.150 79 G N -0.050 108.711 108.800 -0.065 0.000 2.911 79 G HA2 0.078 4.091 3.960 0.087 0.000 0.686 79 G HA3 0.078 4.091 3.960 0.087 0.000 0.686 79 G C 0.665 175.507 174.900 -0.098 0.000 1.136 79 G CA -0.448 44.607 45.100 -0.075 0.000 0.764 79 G HN 0.160 nan 8.290 nan 0.000 0.626 80 A N 1.218 123.993 122.820 -0.076 0.000 1.897 80 A HA 0.183 4.555 4.320 0.087 0.000 0.215 80 A C 2.057 179.585 177.584 -0.093 0.000 1.181 80 A CA 2.329 54.319 52.037 -0.078 0.000 0.620 80 A CB -0.288 18.684 19.000 -0.046 0.000 0.821 80 A HN 0.851 nan 8.150 nan 0.000 0.443 81 E N -0.478 119.676 120.200 -0.077 0.000 2.106 81 E HA -0.140 4.262 4.350 0.087 0.000 0.192 81 E C 2.155 178.699 176.600 -0.094 0.000 0.984 81 E CA 1.238 57.594 56.400 -0.073 0.000 0.806 81 E CB -0.205 29.462 29.700 -0.054 0.000 0.750 81 E HN 0.619 nan 8.360 nan 0.000 0.458 82 R N 0.508 120.941 120.500 -0.111 0.000 2.073 82 R HA -0.119 4.273 4.340 0.087 0.000 0.234 82 R C 2.154 178.325 176.300 -0.215 0.000 1.134 82 R CA 1.390 57.409 56.100 -0.136 0.000 0.952 82 R CB -0.333 29.889 30.300 -0.130 0.000 0.850 82 R HN 0.176 nan 8.270 nan 0.000 0.433 83 I N 0.894 121.293 120.570 -0.284 0.000 2.208 83 I HA -0.269 3.953 4.170 0.087 0.000 0.245 83 I C 2.563 178.544 176.117 -0.227 0.000 1.097 83 I CA 1.369 62.432 61.300 -0.396 0.000 1.363 83 I CB -0.360 37.408 38.000 -0.387 0.000 1.051 83 I HN 0.352 nan 8.210 nan 0.000 0.413 84 A N 0.532 123.258 122.820 -0.156 0.000 1.902 84 A HA -0.275 4.097 4.320 0.087 0.000 0.217 84 A C 2.309 179.841 177.584 -0.087 0.000 1.181 84 A CA 1.989 53.958 52.037 -0.114 0.000 0.623 84 A CB -0.512 18.423 19.000 -0.108 0.000 0.818 84 A HN 0.318 nan 8.150 nan 0.000 0.443 85 K N -0.971 119.377 120.400 -0.086 0.000 2.103 85 K HA -0.104 4.269 4.320 0.087 0.000 0.207 85 K C 1.265 177.837 176.600 -0.047 0.000 1.048 85 K CA 1.251 57.502 56.287 -0.059 0.000 0.930 85 K CB -0.214 32.251 32.500 -0.058 0.000 0.716 85 K HN 0.300 nan 8.250 nan 0.000 0.444 86 L N -0.516 120.663 121.223 -0.074 0.000 2.599 86 L HA 0.180 4.572 4.340 0.087 0.000 0.230 86 L C 1.294 178.171 176.870 0.011 0.000 1.141 86 L CA 1.540 56.363 54.840 -0.027 0.000 0.877 86 L CB 0.110 42.131 42.059 -0.064 0.000 1.009 86 L HN 0.557 nan 8.230 nan 0.000 0.447 87 G N -2.161 106.632 108.800 -0.012 0.000 2.192 87 G HA2 0.122 4.135 3.960 0.087 0.000 0.193 87 G HA3 0.122 4.135 3.960 0.087 0.000 0.193 87 G C 0.673 175.590 174.900 0.028 0.000 0.999 87 G CA -0.250 44.860 45.100 0.017 0.000 0.659 87 G HN 0.873 nan 8.290 nan 0.000 0.503 88 G N -1.540 107.258 108.800 -0.003 0.000 2.662 88 G HA2 0.198 4.210 3.960 0.087 0.000 0.686 88 G HA3 0.198 4.210 3.960 0.087 0.000 0.686 88 G C 0.430 175.382 174.900 0.087 0.000 1.271 88 G CA -0.058 45.053 45.100 0.018 0.000 0.816 88 G HN 1.468 nan 8.290 nan 0.000 0.608 89 L N 0.363 121.633 121.223 0.078 0.000 2.083 89 L HA 0.037 4.429 4.340 0.087 0.000 0.209 89 L C 2.660 179.619 176.870 0.148 0.000 1.083 89 L CA 2.852 57.754 54.840 0.103 0.000 0.752 89 L CB -0.770 41.283 42.059 -0.009 0.000 0.899 89 L HN 0.744 nan 8.230 nan 0.000 0.433 90 H N -1.723 117.435 119.070 0.147 0.000 2.319 90 H HA -0.146 4.461 4.556 0.086 0.000 0.299 90 H C 2.393 177.810 175.328 0.149 0.000 1.092 90 H CA 1.755 57.903 56.048 0.166 0.000 1.302 90 H CB -0.321 29.513 29.762 0.119 0.000 1.373 90 H HN 0.431 nan 8.280 nan 0.000 0.497 91 S N 0.312 116.167 115.700 0.258 0.000 2.368 91 S HA -0.156 4.366 4.470 0.087 0.000 0.224 91 S C 2.058 176.781 174.600 0.206 0.000 1.029 91 S CA 0.769 59.080 58.200 0.184 0.000 0.988 91 S CB -0.468 62.818 63.200 0.142 0.000 0.838 91 S HN 0.275 nan 8.310 nan 0.000 0.462 92 F N 3.193 123.178 119.950 0.059 0.000 2.065 92 F HA -0.104 4.480 4.527 0.095 0.000 0.298 92 F C 2.171 177.996 175.800 0.042 0.000 1.112 92 F CA 2.266 60.288 58.000 0.038 0.000 1.212 92 F CB -0.562 38.452 39.000 0.023 0.000 0.975 92 F HN 0.401 nan 8.300 nan 0.000 0.476 93 M N -1.496 118.153 119.600 0.081 0.000 2.502 93 M HA 0.394 4.926 4.480 0.087 0.000 0.243 93 M C 1.316 177.646 176.300 0.050 0.000 1.130 93 M CA 1.000 56.281 55.300 -0.033 0.000 1.055 93 M CB 0.020 32.629 32.600 0.014 0.000 1.457 93 M HN 0.230 nan 8.290 nan 0.000 0.488 94 G N 1.408 110.273 108.800 0.108 0.000 2.160 94 G HA2 -0.245 3.767 3.960 0.087 0.000 0.244 94 G HA3 -0.245 3.767 3.960 0.087 0.000 0.244 94 G C -0.722 174.297 174.900 0.199 0.000 1.022 94 G CA 0.188 45.359 45.100 0.119 0.000 0.741 94 G HN 0.763 nan 8.290 nan 0.000 0.508 95 W N 1.788 123.116 121.300 0.046 0.000 2.362 95 W HA 0.515 5.216 4.660 0.069 0.000 0.316 95 W C 0.087 176.703 176.519 0.162 0.000 1.024 95 W CA -0.110 57.272 57.345 0.062 0.000 1.270 95 W CB 1.256 30.724 29.460 0.014 0.000 1.273 95 W HN 0.270 nan 8.180 nan 0.000 0.424 96 D N 3.647 123.883 120.400 -0.274 0.000 2.369 96 D HA 0.095 4.787 4.640 0.087 0.000 0.211 96 D C 0.402 176.549 176.300 -0.255 0.000 1.077 96 D CA 0.060 53.971 54.000 -0.148 0.000 0.842 96 D CB 0.348 41.056 40.800 -0.153 0.000 0.947 96 D HN 0.212 nan 8.370 nan 0.000 0.509 97 R N 0.141 120.282 120.500 -0.598 0.000 2.602 97 R HA 0.499 4.891 4.340 0.087 0.000 0.237 97 R C -2.427 174.018 176.300 0.242 0.000 1.219 97 R CA -1.986 53.934 56.100 -0.300 0.000 1.121 97 R CB 0.178 30.121 30.300 -0.595 0.000 1.408 97 R HN -0.044 nan 8.270 nan 0.000 0.559 98 P HA 0.021 nan 4.420 nan 0.000 0.267 98 P C -0.833 176.742 177.300 0.458 0.000 1.200 98 P CA 0.694 64.011 63.100 0.361 0.000 0.772 98 P CB 0.443 32.263 31.700 0.200 0.000 0.855 99 I N 2.400 123.153 120.570 0.305 0.000 2.466 99 I HA 0.340 4.563 4.170 0.087 0.000 0.289 99 I C -0.247 175.867 176.117 -0.004 0.000 1.026 99 I CA -0.898 60.441 61.300 0.065 0.000 1.078 99 I CB 1.771 39.708 38.000 -0.105 0.000 1.249 99 I HN 0.174 nan 8.210 nan 0.000 0.429 100 L N 6.595 127.757 121.223 -0.102 0.000 2.289 100 L HA 0.576 4.968 4.340 0.087 0.000 0.285 100 L C -0.102 176.704 176.870 -0.106 0.000 1.049 100 L CA 0.011 54.759 54.840 -0.153 0.000 0.804 100 L CB 1.318 43.206 42.059 -0.284 0.000 1.195 100 L HN 0.697 nan 8.230 nan 0.000 0.428 101 T N 0.014 114.532 114.554 -0.059 0.000 2.829 101 T HA 0.377 4.779 4.350 0.087 0.000 0.280 101 T C -0.420 174.289 174.700 0.015 0.000 0.999 101 T CA -0.903 61.188 62.100 -0.015 0.000 0.983 101 T CB 1.796 70.675 68.868 0.018 0.000 0.968 101 T HN 0.487 nan 8.240 nan 0.000 0.446 102 D N 0.618 121.041 120.400 0.039 0.000 2.398 102 D HA 0.246 4.939 4.640 0.087 0.000 0.247 102 D C 1.385 177.750 176.300 0.108 0.000 1.227 102 D CA -0.451 53.588 54.000 0.066 0.000 0.980 102 D CB 1.283 42.115 40.800 0.053 0.000 1.106 102 D HN 0.587 nan 8.370 nan 0.000 0.493 103 S N -0.340 115.445 115.700 0.142 0.000 2.558 103 S HA 0.257 4.780 4.470 0.087 0.000 0.217 103 S C 1.551 176.329 174.600 0.296 0.000 0.975 103 S CA 0.544 58.884 58.200 0.233 0.000 0.912 103 S CB 0.316 63.698 63.200 0.303 0.000 0.776 103 S HN 0.859 nan 8.310 nan 0.000 0.526 104 G N 0.458 109.401 108.800 0.237 0.000 2.195 104 G HA2 -0.203 3.810 3.960 0.087 0.000 0.246 104 G HA3 -0.203 3.810 3.960 0.087 0.000 0.246 104 G C 0.919 175.944 174.900 0.208 0.000 0.984 104 G CA 0.099 45.348 45.100 0.248 0.000 0.633 104 G HN 0.929 nan 8.290 nan 0.000 0.525 105 G N -0.434 108.492 108.800 0.210 0.000 2.494 105 G HA2 0.166 4.178 3.960 0.087 0.000 0.216 105 G HA3 0.166 4.178 3.960 0.087 0.000 0.216 105 G C 1.288 176.172 174.900 -0.027 0.000 1.140 105 G CA 1.445 46.581 45.100 0.060 0.000 0.801 105 G HN 0.675 nan 8.290 nan 0.000 0.536 106 Y N 1.109 121.345 120.300 -0.107 0.000 2.181 106 Y HA -0.125 4.477 4.550 0.087 0.000 0.288 106 Y C 2.835 178.634 175.900 -0.168 0.000 1.146 106 Y CA 2.128 60.158 58.100 -0.116 0.000 1.164 106 Y CB 0.117 38.525 38.460 -0.087 0.000 0.982 106 Y HN 0.236 nan 8.280 nan 0.000 0.515 107 Q N -1.006 118.732 119.800 -0.104 0.000 2.212 107 Q HA -0.088 4.304 4.340 0.087 0.000 0.199 107 Q C 2.341 177.893 176.000 -0.748 0.000 0.950 107 Q CA 1.216 56.771 55.803 -0.414 0.000 0.863 107 Q CB 0.003 28.477 28.738 -0.440 0.000 0.944 107 Q HN 0.397 nan 8.270 nan 0.000 0.465 108 V N 1.465 121.036 119.914 -0.572 0.000 2.261 108 V HA -0.259 3.914 4.120 0.087 0.000 0.246 108 V C 1.923 177.824 176.094 -0.322 0.000 1.047 108 V CA 1.941 63.943 62.300 -0.497 0.000 1.015 108 V CB -0.968 30.537 31.823 -0.530 0.000 0.642 108 V HN 0.460 nan 8.190 nan 0.000 0.446 116 K N 1.645 122.125 120.400 0.133 0.000 2.464 116 K HA 0.823 5.195 4.320 0.087 0.000 0.252 116 K C -0.275 176.411 176.600 0.142 0.000 1.000 116 K CA 0.230 56.586 56.287 0.115 0.000 0.951 116 K CB 0.130 32.689 32.500 0.098 0.000 1.183 116 K HN 1.376 nan 8.250 nan 0.000 0.445 117 Q N 0.624 120.505 119.800 0.134 0.000 2.257 117 Q HA 0.783 5.175 4.340 0.087 0.000 0.255 117 Q C 0.304 176.405 176.000 0.168 0.000 0.920 117 Q CA -0.173 55.733 55.803 0.173 0.000 0.927 117 Q CB 0.733 29.556 28.738 0.142 0.000 1.229 117 Q HN 1.696 nan 8.270 nan 0.000 0.433 118 S N -0.886 114.953 115.700 0.233 0.000 2.776 118 S HA 0.489 5.012 4.470 0.087 0.000 0.292 118 S C 0.623 175.424 174.600 0.336 0.000 1.187 118 S CA 0.030 58.356 58.200 0.211 0.000 0.834 118 S CB 1.114 64.409 63.200 0.159 0.000 1.199 118 S HN 0.674 nan 8.310 nan 0.000 0.514 119 E N 0.423 120.791 120.200 0.280 0.000 2.204 119 E HA -0.042 4.360 4.350 0.087 0.000 0.194 119 E C 1.419 178.329 176.600 0.517 0.000 0.989 119 E CA 1.378 58.009 56.400 0.384 0.000 0.824 119 E CB -0.130 29.705 29.700 0.225 0.000 0.756 119 E HN 0.537 nan 8.360 nan 0.000 0.477 120 E N -0.524 119.851 120.200 0.292 0.000 2.152 120 E HA 0.120 4.522 4.350 0.087 0.000 0.192 120 E C 1.021 177.630 176.600 0.014 0.000 0.983 120 E CA 1.010 57.494 56.400 0.139 0.000 0.818 120 E CB 0.344 30.089 29.700 0.075 0.000 0.758 120 E HN 0.309 nan 8.360 nan 0.000 0.467 121 G N -0.697 108.181 108.800 0.130 0.000 2.470 121 G HA2 0.080 4.092 3.960 0.087 0.000 0.145 121 G HA3 0.080 4.092 3.960 0.087 0.000 0.145 121 G C -1.456 173.576 174.900 0.219 0.000 1.223 121 G CA -0.160 44.934 45.100 -0.011 0.000 1.058 121 G HN 0.182 nan 8.290 nan 0.000 0.469 122 V N 0.122 120.153 119.914 0.194 0.000 2.971 122 V HA 0.826 4.998 4.120 0.087 0.000 0.309 122 V C -0.692 175.582 176.094 0.300 0.000 1.130 122 V CA 0.293 62.747 62.300 0.258 0.000 0.964 122 V CB 2.036 34.028 31.823 0.281 0.000 1.029 122 V HN 1.213 nan 8.190 nan 0.000 0.427 123 T N 6.793 121.517 114.554 0.283 0.000 2.855 123 T HA 0.872 5.275 4.350 0.087 0.000 0.281 123 T C -0.895 174.024 174.700 0.365 0.000 1.007 123 T CA -0.065 62.194 62.100 0.264 0.000 1.009 123 T CB 1.196 70.124 68.868 0.100 0.000 0.983 123 T HN 0.893 nan 8.240 nan 0.000 0.455 135 L N 2.270 123.581 121.223 0.147 0.000 2.526 135 L HA 0.949 5.341 4.340 0.087 0.000 0.263 135 L C 0.021 176.649 176.870 -0.403 0.000 0.943 135 L CA 0.034 54.809 54.840 -0.108 0.000 0.859 135 L CB 2.196 44.257 42.059 0.002 0.000 1.313 135 L HN 1.903 nan 8.230 nan 0.000 0.406 136 S N 3.197 118.484 115.700 -0.687 0.000 2.661 136 S HA 0.772 5.295 4.470 0.087 0.000 0.285 136 S C -2.535 171.417 174.600 -1.079 0.000 1.138 136 S CA -1.314 56.394 58.200 -0.819 0.000 0.855 136 S CB 1.949 64.908 63.200 -0.402 0.000 1.136 136 S HN 0.361 nan 8.310 nan 0.000 0.484 137 P HA -0.121 nan 4.420 nan 0.000 0.216 137 P C 0.957 178.106 177.300 -0.252 0.000 1.157 137 P CA 1.596 64.472 63.100 -0.373 0.000 0.880 137 P CB -0.046 31.564 31.700 -0.150 0.000 0.791 138 E N -1.119 118.954 120.200 -0.212 0.000 2.077 138 E HA -0.192 4.210 4.350 0.087 0.000 0.193 138 E C 2.169 178.690 176.600 -0.131 0.000 0.989 138 E CA 1.085 57.413 56.400 -0.121 0.000 0.800 138 E CB -0.549 29.095 29.700 -0.094 0.000 0.746 138 E HN 0.019 nan 8.360 nan 0.000 0.452 139 R N 0.298 120.681 120.500 -0.196 0.000 2.090 139 R HA 0.047 4.439 4.340 0.087 0.000 0.228 139 R C 2.267 178.475 176.300 -0.152 0.000 1.110 139 R CA 1.551 57.556 56.100 -0.157 0.000 0.973 139 R CB -0.854 29.346 30.300 -0.167 0.000 0.869 139 R HN 0.141 nan 8.270 nan 0.000 0.440 140 S N -0.092 115.449 115.700 -0.265 0.000 2.359 140 S HA -0.068 4.454 4.470 0.087 0.000 0.224 140 S C 1.833 176.424 174.600 -0.016 0.000 1.035 140 S CA 1.338 59.443 58.200 -0.160 0.000 1.018 140 S CB -0.242 62.802 63.200 -0.260 0.000 0.876 140 S HN 0.309 nan 8.310 nan 0.000 0.448 141 I N 1.870 122.440 120.570 0.001 0.000 2.226 141 I HA -0.099 4.123 4.170 0.087 0.000 0.245 141 I C 2.569 178.738 176.117 0.086 0.000 1.100 141 I CA 1.479 62.834 61.300 0.091 0.000 1.374 141 I CB -1.561 36.512 38.000 0.121 0.000 1.057 141 I HN 0.545 nan 8.210 nan 0.000 0.413 142 E N 1.121 121.342 120.200 0.035 0.000 2.072 142 E HA -0.187 4.216 4.350 0.087 0.000 0.191 142 E C 2.426 179.074 176.600 0.081 0.000 0.985 142 E CA 0.957 57.392 56.400 0.059 0.000 0.801 142 E CB 0.032 29.739 29.700 0.012 0.000 0.750 142 E HN 0.418 nan 8.360 nan 0.000 0.452 143 I N 1.015 121.607 120.570 0.036 0.000 2.163 143 I HA -0.327 3.896 4.170 0.087 0.000 0.243 143 I C 2.584 178.727 176.117 0.044 0.000 1.085 143 I CA 1.422 62.737 61.300 0.026 0.000 1.347 143 I CB -0.245 37.763 38.000 0.014 0.000 1.044 143 I HN 0.180 nan 8.210 nan 0.000 0.408 144 Q N -0.593 119.251 119.800 0.075 0.000 2.124 144 Q HA -0.288 4.105 4.340 0.087 0.000 0.202 144 Q C 2.117 178.178 176.000 0.101 0.000 0.977 144 Q CA 1.816 57.673 55.803 0.089 0.000 0.850 144 Q CB -0.359 28.449 28.738 0.118 0.000 0.901 144 Q HN 0.568 nan 8.270 nan 0.000 0.429 145 H N 0.739 119.828 119.070 0.031 0.000 2.321 145 H HA -0.079 4.530 4.556 0.088 0.000 0.300 145 H C 1.740 177.071 175.328 0.004 0.000 1.087 145 H CA 1.521 57.573 56.048 0.007 0.000 1.319 145 H CB -0.163 29.584 29.762 -0.025 0.000 1.379 145 H HN 0.129 nan 8.280 nan 0.000 0.501 146 L N -0.200 120.932 121.223 -0.152 0.000 2.083 146 L HA -0.156 4.236 4.340 0.087 0.000 0.209 146 L C 2.436 179.214 176.870 -0.153 0.000 1.083 146 L CA 0.979 55.706 54.840 -0.189 0.000 0.752 146 L CB -0.335 41.682 42.059 -0.070 0.000 0.899 146 L HN 0.330 nan 8.230 nan 0.000 0.433 147 L N -0.442 120.731 121.223 -0.083 0.000 2.291 147 L HA -0.009 4.383 4.340 0.087 0.000 0.214 147 L C 1.433 178.293 176.870 -0.016 0.000 1.120 147 L CA 0.757 55.568 54.840 -0.049 0.000 0.799 147 L CB -0.691 41.357 42.059 -0.018 0.000 0.925 147 L HN 0.533 nan 8.230 nan 0.000 0.446 148 G N 0.465 109.246 108.800 -0.032 0.000 2.171 148 G HA2 -0.279 3.733 3.960 0.087 0.000 0.238 148 G HA3 -0.279 3.733 3.960 0.087 0.000 0.238 148 G C 0.322 175.327 174.900 0.175 0.000 1.039 148 G CA 0.385 45.511 45.100 0.044 0.000 0.759 148 G HN 0.327 nan 8.290 nan 0.000 0.501 149 S N -0.470 115.306 115.700 0.126 0.000 2.552 149 S HA 0.240 4.763 4.470 0.087 0.000 0.289 149 S C 1.466 176.178 174.600 0.187 0.000 1.304 149 S CA 0.741 59.027 58.200 0.142 0.000 1.063 149 S CB 0.404 63.661 63.200 0.095 0.000 0.848 149 S HN 0.323 nan 8.310 nan 0.000 0.499 150 D N 3.225 123.745 120.400 0.199 0.000 2.216 150 D HA 0.108 4.801 4.640 0.087 0.000 0.208 150 D C 0.249 176.623 176.300 0.123 0.000 0.960 150 D CA 0.977 55.081 54.000 0.173 0.000 0.861 150 D CB 0.188 41.098 40.800 0.182 0.000 0.985 150 D HN 0.511 nan 8.370 nan 0.000 0.493 151 I N 2.076 122.658 120.570 0.020 0.000 2.382 151 I HA 0.161 4.383 4.170 0.087 0.000 0.286 151 I C -0.573 175.476 176.117 -0.113 0.000 1.002 151 I CA -0.614 60.604 61.300 -0.137 0.000 1.135 151 I CB 2.444 40.196 38.000 -0.414 0.000 1.288 151 I HN -0.352 nan 8.210 nan 0.000 0.448 152 V N 6.802 126.695 119.914 -0.035 0.000 2.394 152 V HA 0.363 4.536 4.120 0.087 0.000 0.282 152 V C 0.397 176.478 176.094 -0.022 0.000 1.031 152 V CA -0.602 61.724 62.300 0.044 0.000 0.881 152 V CB 1.488 33.445 31.823 0.224 0.000 0.982 152 V HN 0.578 nan 8.190 nan 0.000 0.451 153 M N 3.918 123.524 119.600 0.011 0.000 2.180 153 M HA 0.457 4.989 4.480 0.087 0.000 0.358 153 M C 0.474 176.819 176.300 0.075 0.000 1.233 153 M CA -0.344 54.975 55.300 0.032 0.000 1.114 153 M CB 0.849 33.477 32.600 0.048 0.000 1.594 153 M HN 0.726 nan 8.290 nan 0.000 0.467 154 A N 3.559 126.403 122.820 0.041 0.000 2.507 154 A HA 0.165 4.537 4.320 0.087 0.000 0.235 154 A C -0.417 177.272 177.584 0.175 0.000 1.070 154 A CA -0.137 51.962 52.037 0.105 0.000 0.768 154 A CB -0.065 18.936 19.000 0.002 0.000 1.011 154 A HN 0.758 nan 8.150 nan 0.000 0.502 155 F N 2.625 122.622 119.950 0.079 0.000 2.445 155 F HA 0.392 4.971 4.527 0.086 0.000 0.359 155 F C 0.263 176.216 175.800 0.255 0.000 1.101 155 F CA -0.136 57.922 58.000 0.097 0.000 1.177 155 F CB 0.522 39.513 39.000 -0.015 0.000 1.110 155 F HN 0.761 nan 8.300 nan 0.000 0.522 156 D N 3.817 124.091 120.400 -0.210 0.000 2.566 156 D HA 0.212 4.904 4.640 0.087 0.000 0.254 156 D C -1.490 174.734 176.300 -0.128 0.000 1.090 156 D CA -0.825 53.156 54.000 -0.033 0.000 1.034 156 D CB 1.326 42.101 40.800 -0.042 0.000 1.434 156 D HN 0.564 nan 8.370 nan 0.000 0.509 157 E N -0.120 120.022 120.200 -0.096 0.000 2.092 157 E HA 0.353 4.756 4.350 0.087 0.000 0.271 157 E C -0.874 175.680 176.600 -0.078 0.000 0.919 157 E CA -0.760 55.570 56.400 -0.116 0.000 0.760 157 E CB 1.007 30.543 29.700 -0.272 0.000 1.106 157 E HN 0.490 nan 8.360 nan 0.000 0.408 158 C N 3.920 123.200 119.300 -0.034 0.000 2.605 158 C HA 0.328 4.840 4.460 0.087 0.000 0.404 158 C C 0.315 175.303 174.990 -0.002 0.000 1.284 158 C CA -0.049 58.981 59.018 0.020 0.000 2.199 158 C CB 0.037 27.863 27.740 0.143 0.000 2.647 158 C HN 0.695 nan 8.230 nan 0.000 0.604 159 T N 7.621 122.187 114.554 0.019 0.000 2.744 159 T HA 0.409 4.812 4.350 0.087 0.000 0.291 159 T C -2.288 172.442 174.700 0.051 0.000 0.957 159 T CA -0.291 61.823 62.100 0.024 0.000 1.002 159 T CB 1.099 69.993 68.868 0.042 0.000 0.919 159 T HN 0.649 nan 8.240 nan 0.000 0.468 160 P HA 0.166 nan 4.420 nan 0.000 0.270 160 P C -1.265 176.099 177.300 0.106 0.000 1.223 160 P CA -0.422 62.707 63.100 0.050 0.000 0.785 160 P CB 0.366 32.073 31.700 0.010 0.000 0.923 161 Y N 2.341 122.641 120.300 -0.000 0.000 2.393 161 Y HA 0.490 5.092 4.550 0.087 0.000 0.341 161 Y C -2.133 173.768 175.900 0.001 0.000 0.988 161 Y CA -2.320 55.780 58.100 -0.001 0.000 1.078 161 Y CB 0.841 39.295 38.460 -0.011 0.000 1.203 161 Y HN 0.347 nan 8.280 nan 0.000 0.453 162 P HA 0.577 nan 4.420 nan 0.000 0.276 162 P C -1.715 175.442 177.300 -0.239 0.000 1.252 162 P CA -0.536 62.054 63.100 -0.850 0.000 0.802 162 P CB 1.392 32.590 31.700 -0.837 0.000 1.035 163 A N 0.558 123.326 122.820 -0.086 0.000 2.414 163 A HA 0.623 4.995 4.320 0.087 0.000 0.306 163 A C 0.249 177.921 177.584 0.148 0.000 1.054 163 A CA -0.525 51.545 52.037 0.056 0.000 0.724 163 A CB 0.874 19.949 19.000 0.125 0.000 1.267 163 A HN 0.663 nan 8.150 nan 0.000 0.418 164 T N 0.303 114.895 114.554 0.063 0.000 2.856 164 T HA 0.360 4.763 4.350 0.087 0.000 0.306 164 T C -1.838 172.838 174.700 -0.041 0.000 1.062 164 T CA -0.886 61.234 62.100 0.034 0.000 1.083 164 T CB 0.398 69.251 68.868 -0.025 0.000 0.984 164 T HN 0.286 nan 8.240 nan 0.000 0.542 165 P HA -0.101 nan 4.420 nan 0.000 0.216 165 P C 1.948 179.079 177.300 -0.282 0.000 1.150 165 P CA 1.079 63.809 63.100 -0.617 0.000 0.837 165 P CB -0.104 31.169 31.700 -0.711 0.000 0.786 166 S N -0.553 115.043 115.700 -0.173 0.000 2.348 166 S HA -0.244 4.278 4.470 0.087 0.000 0.221 166 S C 2.333 176.887 174.600 -0.077 0.000 1.033 166 S CA 1.962 60.095 58.200 -0.112 0.000 1.010 166 S CB -0.867 62.284 63.200 -0.082 0.000 0.891 166 S HN 0.020 nan 8.310 nan 0.000 0.442 167 R N 0.894 121.363 120.500 -0.052 0.000 2.073 167 R HA 0.239 4.631 4.340 0.087 0.000 0.234 167 R C 2.690 178.984 176.300 -0.010 0.000 1.134 167 R CA 2.061 58.144 56.100 -0.028 0.000 0.952 167 R CB -1.859 28.433 30.300 -0.012 0.000 0.850 167 R HN 0.739 nan 8.270 nan 0.000 0.433 168 A N 0.759 123.595 122.820 0.027 0.000 1.908 168 A HA 0.181 4.553 4.320 0.087 0.000 0.218 168 A C 2.817 180.417 177.584 0.027 0.000 1.181 168 A CA 2.197 54.286 52.037 0.086 0.000 0.627 168 A CB -0.865 18.296 19.000 0.268 0.000 0.818 168 A HN 0.981 nan 8.150 nan 0.000 0.445 169 A N -0.783 122.021 122.820 -0.026 0.000 1.873 169 A HA -0.027 4.345 4.320 0.087 0.000 0.215 169 A C 2.446 179.999 177.584 -0.052 0.000 1.186 169 A CA 1.937 53.949 52.037 -0.042 0.000 0.616 169 A CB -0.967 17.988 19.000 -0.074 0.000 0.823 169 A HN 0.443 nan 8.150 nan 0.000 0.442 170 S N -0.281 115.382 115.700 -0.061 0.000 2.365 170 S HA -0.188 4.334 4.470 0.087 0.000 0.225 170 S C 2.353 176.888 174.600 -0.109 0.000 1.039 170 S CA 1.669 59.823 58.200 -0.076 0.000 1.033 170 S CB -0.425 62.735 63.200 -0.068 0.000 0.887 170 S HN 0.682 nan 8.310 nan 0.000 0.447 171 S N 0.902 116.543 115.700 -0.097 0.000 2.368 171 S HA -0.070 4.452 4.470 0.087 0.000 0.225 171 S C 1.963 176.475 174.600 -0.148 0.000 1.030 171 S CA 1.249 59.369 58.200 -0.134 0.000 0.999 171 S CB -0.374 62.778 63.200 -0.080 0.000 0.844 171 S HN 0.441 nan 8.310 nan 0.000 0.459 172 M N 1.292 120.844 119.600 -0.081 0.000 2.117 172 M HA -0.092 4.440 4.480 0.087 0.000 0.262 172 M C 1.752 178.001 176.300 -0.085 0.000 1.065 172 M CA 1.873 57.136 55.300 -0.062 0.000 1.114 172 M CB -1.045 31.548 32.600 -0.011 0.000 1.361 172 M HN 0.383 nan 8.290 nan 0.000 0.408 173 E N -0.287 119.860 120.200 -0.089 0.000 2.110 173 E HA -0.233 4.169 4.350 0.087 0.000 0.193 173 E C 2.137 178.652 176.600 -0.143 0.000 0.988 173 E CA 1.449 57.798 56.400 -0.085 0.000 0.804 173 E CB -0.280 29.378 29.700 -0.070 0.000 0.745 173 E HN 0.528 nan 8.360 nan 0.000 0.458 174 R N 0.685 121.036 120.500 -0.249 0.000 2.073 174 R HA -0.117 4.275 4.340 0.087 0.000 0.234 174 R C 2.267 178.241 176.300 -0.543 0.000 1.134 174 R CA 1.737 57.552 56.100 -0.474 0.000 0.952 174 R CB -0.145 29.767 30.300 -0.646 0.000 0.850 174 R HN -0.021 nan 8.270 nan 0.000 0.433 175 S N 0.335 115.811 115.700 -0.372 0.000 2.383 175 S HA -0.111 4.411 4.470 0.087 0.000 0.229 175 S C 1.819 176.411 174.600 -0.013 0.000 1.030 175 S CA 1.374 59.465 58.200 -0.183 0.000 1.002 175 S CB -0.056 63.078 63.200 -0.110 0.000 0.829 175 S HN 0.318 nan 8.310 nan 0.000 0.467 176 M N 0.927 120.513 119.600 -0.023 0.000 2.254 176 M HA 0.072 4.604 4.480 0.087 0.000 0.265 176 M C 1.993 178.359 176.300 0.109 0.000 1.066 176 M CA 1.116 56.452 55.300 0.059 0.000 1.123 176 M CB -1.153 31.474 32.600 0.045 0.000 1.388 176 M HN 0.246 nan 8.290 nan 0.000 0.425 177 R N -0.804 119.734 120.500 0.064 0.000 2.091 177 R HA -0.189 4.203 4.340 0.087 0.000 0.238 177 R C 2.066 178.559 176.300 0.322 0.000 1.136 177 R CA 1.472 57.658 56.100 0.142 0.000 0.959 177 R CB -0.306 30.048 30.300 0.090 0.000 0.856 177 R HN 0.375 nan 8.270 nan 0.000 0.437 178 W N 0.428 121.790 121.300 0.104 0.000 2.425 178 W HA 0.060 4.772 4.660 0.087 0.000 0.277 178 W C 2.333 178.949 176.519 0.161 0.000 1.231 178 W CA 0.432 57.865 57.345 0.147 0.000 1.248 178 W CB -0.798 28.762 29.460 0.166 0.000 1.117 178 W HN 0.186 nan 8.180 nan 0.000 0.568 179 A N 0.333 123.370 122.820 0.361 0.000 1.898 179 A HA -0.211 4.162 4.320 0.087 0.000 0.216 179 A C 2.043 179.849 177.584 0.370 0.000 1.181 179 A CA 2.209 54.444 52.037 0.330 0.000 0.620 179 A CB -0.623 18.537 19.000 0.267 0.000 0.819 179 A HN 0.123 nan 8.150 nan 0.000 0.442 180 K N 0.136 120.701 120.400 0.276 0.000 2.057 180 K HA -0.069 4.303 4.320 0.087 0.000 0.206 180 K C 2.073 178.773 176.600 0.167 0.000 1.050 180 K CA 1.623 58.023 56.287 0.188 0.000 0.935 180 K CB -0.341 32.245 32.500 0.143 0.000 0.715 180 K HN 0.430 nan 8.250 nan 0.000 0.439 181 R N -0.090 120.528 120.500 0.196 0.000 2.091 181 R HA -0.065 4.327 4.340 0.087 0.000 0.238 181 R C 2.403 178.787 176.300 0.140 0.000 1.136 181 R CA 1.758 57.949 56.100 0.151 0.000 0.959 181 R CB -0.352 30.040 30.300 0.153 0.000 0.856 181 R HN 0.168 nan 8.270 nan 0.000 0.437 182 S N 0.385 116.201 115.700 0.194 0.000 2.356 182 S HA -0.173 4.349 4.470 0.087 0.000 0.223 182 S C 1.806 176.526 174.600 0.199 0.000 1.032 182 S CA 1.427 59.746 58.200 0.199 0.000 1.005 182 S CB -0.233 63.116 63.200 0.248 0.000 0.867 182 S HN 0.227 nan 8.310 nan 0.000 0.449 183 R N 1.811 122.422 120.500 0.185 0.000 2.083 183 R HA -0.121 4.271 4.340 0.087 0.000 0.237 183 R C 1.440 177.799 176.300 0.098 0.000 1.137 183 R CA 1.971 58.110 56.100 0.065 0.000 0.951 183 R CB -0.690 29.554 30.300 -0.094 0.000 0.851 183 R HN 0.238 nan 8.270 nan 0.000 0.434 184 D N -0.246 120.206 120.400 0.086 0.000 2.149 184 D HA -0.026 4.666 4.640 0.087 0.000 0.201 184 D C 1.701 178.048 176.300 0.077 0.000 0.972 184 D CA 1.490 55.530 54.000 0.068 0.000 0.835 184 D CB -0.344 40.488 40.800 0.052 0.000 0.966 184 D HN 0.389 nan 8.370 nan 0.000 0.476 185 A N 0.448 123.323 122.820 0.092 0.000 1.902 185 A HA -0.175 4.198 4.320 0.087 0.000 0.217 185 A C 2.105 179.743 177.584 0.091 0.000 1.181 185 A CA 1.009 53.087 52.037 0.068 0.000 0.623 185 A CB -1.006 18.030 19.000 0.061 0.000 0.818 185 A HN 0.260 nan 8.150 nan 0.000 0.443 186 F N 1.234 121.182 119.950 -0.003 0.000 2.102 186 F HA -0.170 4.409 4.527 0.086 0.000 0.298 186 F C 1.623 177.405 175.800 -0.030 0.000 1.105 186 F CA 2.113 60.108 58.000 -0.008 0.000 1.239 186 F CB -0.123 38.894 39.000 0.028 0.000 0.991 186 F HN 0.229 nan 8.300 nan 0.000 0.474 187 D N -0.511 120.010 120.400 0.201 0.000 2.264 187 D HA -0.092 4.600 4.640 0.087 0.000 0.208 187 D C 2.150 178.435 176.300 -0.025 0.000 0.966 187 D CA 1.154 55.205 54.000 0.085 0.000 0.864 187 D CB -0.207 40.653 40.800 0.099 0.000 0.933 187 D HN 0.240 nan 8.370 nan 0.000 0.499 188 S N -0.178 115.502 115.700 -0.033 0.000 2.603 188 S HA 0.023 4.545 4.470 0.087 0.000 0.220 188 S C 1.020 175.555 174.600 -0.109 0.000 0.967 188 S CA -0.213 57.953 58.200 -0.056 0.000 0.920 188 S CB 0.472 63.650 63.200 -0.036 0.000 0.773 188 S HN 0.123 nan 8.310 nan 0.000 0.529 189 R N 1.544 121.936 120.500 -0.179 0.000 2.287 189 R HA 0.378 4.770 4.340 0.087 0.000 0.316 189 R C 1.220 177.366 176.300 -0.256 0.000 1.050 189 R CA -0.032 55.913 56.100 -0.259 0.000 0.983 189 R CB 0.008 30.071 30.300 -0.394 0.000 1.140 189 R HN 0.143 nan 8.270 nan 0.000 0.528 190 K N 2.399 122.698 120.400 -0.168 0.000 2.074 190 K HA -0.220 4.152 4.320 0.087 0.000 0.209 190 K C 1.975 178.494 176.600 -0.134 0.000 1.048 190 K CA 2.201 58.412 56.287 -0.127 0.000 0.926 190 K CB -1.105 31.349 32.500 -0.076 0.000 0.713 190 K HN 0.778 nan 8.250 nan 0.000 0.444 191 E N 0.588 120.710 120.200 -0.129 0.000 2.077 191 E HA -0.277 4.125 4.350 0.087 0.000 0.193 191 E C 2.091 178.635 176.600 -0.093 0.000 0.989 191 E CA 1.715 58.076 56.400 -0.066 0.000 0.800 191 E CB -0.645 29.066 29.700 0.018 0.000 0.746 191 E HN 0.847 nan 8.360 nan 0.000 0.452 192 Q N -0.807 118.857 119.800 -0.227 0.000 2.046 192 Q HA 0.004 4.396 4.340 0.087 0.000 0.200 192 Q C 2.517 178.190 176.000 -0.544 0.000 0.975 192 Q CA 1.478 57.075 55.803 -0.343 0.000 0.836 192 Q CB -0.291 28.115 28.738 -0.553 0.000 0.896 192 Q HN 0.557 nan 8.270 nan 0.000 0.428 193 A N 0.620 123.095 122.820 -0.575 0.000 1.972 193 A HA -0.214 4.158 4.320 0.087 0.000 0.219 193 A C 1.669 179.222 177.584 -0.053 0.000 1.169 193 A CA 1.697 53.521 52.037 -0.355 0.000 0.635 193 A CB -0.399 18.493 19.000 -0.180 0.000 0.810 193 A HN 0.514 nan 8.150 nan 0.000 0.446 194 E N -0.879 119.284 120.200 -0.061 0.000 2.299 194 E HA -0.012 4.390 4.350 0.087 0.000 0.193 194 E C 0.921 177.547 176.600 0.044 0.000 0.998 194 E CA 0.570 56.976 56.400 0.009 0.000 0.851 194 E CB 0.062 29.759 29.700 -0.005 0.000 0.795 194 E HN 0.581 nan 8.360 nan 0.000 0.492 195 N N -0.515 118.208 118.700 0.038 0.000 2.239 195 N HA 0.141 4.933 4.740 0.087 0.000 0.208 195 N C -0.092 175.491 175.510 0.120 0.000 1.200 195 N CA 0.143 53.233 53.050 0.068 0.000 0.895 195 N CB 1.323 39.834 38.487 0.039 0.000 1.085 195 N HN -0.048 nan 8.380 nan 0.000 0.500 196 A N 0.507 123.422 122.820 0.159 0.000 2.309 196 A HA 0.880 5.252 4.320 0.087 0.000 0.317 196 A C -0.714 177.115 177.584 0.408 0.000 1.134 196 A CA -0.450 51.746 52.037 0.266 0.000 0.866 196 A CB 1.348 20.521 19.000 0.289 0.000 1.329 196 A HN 0.096 nan 8.150 nan 0.000 0.477 197 A N -0.600 122.406 122.820 0.310 0.000 2.354 197 A HA 0.754 5.127 4.320 0.087 0.000 0.321 197 A C -1.304 176.209 177.584 -0.118 0.000 1.125 197 A CA -0.457 51.627 52.037 0.078 0.000 0.799 197 A CB 1.222 20.155 19.000 -0.111 0.000 1.293 197 A HN 1.501 nan 8.150 nan 0.000 0.452 198 L N 1.018 122.019 121.223 -0.370 0.000 2.381 198 L HA 0.768 5.160 4.340 0.087 0.000 0.274 198 L C -1.856 175.066 176.870 0.087 0.000 0.988 198 L CA -0.285 54.320 54.840 -0.391 0.000 0.824 198 L CB 1.139 42.622 42.059 -0.960 0.000 1.263 198 L HN 0.525 nan 8.230 nan 0.000 0.410 199 F N 2.594 122.397 119.950 -0.246 0.000 2.450 199 F HA 0.766 5.346 4.527 0.088 0.000 0.332 199 F C 0.967 176.402 175.800 -0.607 0.000 1.093 199 F CA -1.005 56.790 58.000 -0.342 0.000 1.003 199 F CB 1.884 40.760 39.000 -0.207 0.000 1.151 199 F HN 0.557 nan 8.300 nan 0.000 0.474 200 G N 2.537 110.717 108.800 -1.035 0.000 2.437 200 G HA2 0.654 4.666 3.960 0.087 0.000 0.319 200 G HA3 0.654 4.666 3.960 0.087 0.000 0.319 200 G C -1.034 173.563 174.900 -0.506 0.000 1.158 200 G CA -0.616 43.702 45.100 -1.303 0.000 0.899 200 G HN 0.522 nan 8.290 nan 0.000 0.502 201 I N 0.485 120.863 120.570 -0.320 0.000 2.418 201 I HA 0.232 4.454 4.170 0.087 0.000 0.287 201 I C 0.149 176.205 176.117 -0.101 0.000 1.008 201 I CA -0.546 60.657 61.300 -0.162 0.000 1.104 201 I CB 2.072 39.994 38.000 -0.131 0.000 1.264 201 I HN 0.398 nan 8.210 nan 0.000 0.438 202 Q N 6.080 125.842 119.800 -0.063 0.000 2.296 202 Q HA 0.186 4.578 4.340 0.087 0.000 0.262 202 Q C -0.685 175.295 176.000 -0.033 0.000 0.981 202 Q CA -0.286 55.500 55.803 -0.030 0.000 0.905 202 Q CB 1.022 29.747 28.738 -0.021 0.000 1.186 202 Q HN 0.524 nan 8.270 nan 0.000 0.399 203 Q N 1.438 121.229 119.800 -0.015 0.000 2.448 203 Q HA 0.523 4.916 4.340 0.087 0.000 0.192 203 Q C 0.350 176.372 176.000 0.038 0.000 1.001 203 Q CA 0.165 55.969 55.803 0.001 0.000 1.018 203 Q CB 1.331 30.059 28.738 -0.015 0.000 1.290 203 Q HN 0.979 nan 8.270 nan 0.000 0.517 204 G N -0.471 108.369 108.800 0.067 0.000 2.164 204 G HA2 -0.196 3.816 3.960 0.087 0.000 0.154 204 G HA3 -0.196 3.816 3.960 0.087 0.000 0.154 204 G C 0.358 175.371 174.900 0.189 0.000 1.014 204 G CA 0.903 46.083 45.100 0.133 0.000 0.683 204 G HN 0.753 nan 8.290 nan 0.000 0.500 205 S N -2.203 113.566 115.700 0.116 0.000 3.938 205 S HA -0.367 4.156 4.470 0.087 0.000 0.624 205 S C 1.830 176.395 174.600 -0.058 0.000 2.186 205 S CA 3.438 61.672 58.200 0.057 0.000 4.144 205 S CB -1.216 62.060 63.200 0.127 0.000 0.230 205 S HN 2.023 nan 8.310 nan 0.000 0.755 206 V N -0.223 119.478 119.914 -0.354 0.000 3.444 206 V HA 0.549 4.721 4.120 0.087 0.000 0.308 206 V C 0.217 176.147 176.094 -0.273 0.000 1.371 206 V CA 0.227 62.348 62.300 -0.298 0.000 1.141 206 V CB -0.717 30.922 31.823 -0.307 0.000 1.037 206 V HN 0.460 nan 8.190 nan 0.000 0.433 207 F N 1.285 121.342 119.950 0.180 0.000 2.391 207 F HA 0.485 5.065 4.527 0.087 0.000 0.359 207 F C 1.572 177.369 175.800 -0.005 0.000 1.122 207 F CA -0.793 57.254 58.000 0.077 0.000 1.120 207 F CB 1.398 40.415 39.000 0.027 0.000 1.142 207 F HN 0.126 nan 8.300 nan 0.000 0.483 208 E N 2.673 122.781 120.200 -0.152 0.000 2.085 208 E HA -0.275 4.127 4.350 0.087 0.000 0.194 208 E C 1.819 178.313 176.600 -0.177 0.000 0.994 208 E CA 1.887 57.953 56.400 -0.556 0.000 0.801 208 E CB 0.111 29.130 29.700 -1.135 0.000 0.743 208 E HN 0.736 nan 8.360 nan 0.000 0.453 209 N N 0.922 119.574 118.700 -0.080 0.000 2.188 209 N HA -0.194 4.598 4.740 0.087 0.000 0.184 209 N C 1.989 177.501 175.510 0.003 0.000 1.018 209 N CA 1.256 54.279 53.050 -0.045 0.000 0.858 209 N CB -0.716 37.745 38.487 -0.043 0.000 0.989 209 N HN 0.305 nan 8.380 nan 0.000 0.426 210 L N -0.210 121.048 121.223 0.058 0.000 2.072 210 L HA 0.066 4.458 4.340 0.087 0.000 0.205 210 L C 2.687 179.603 176.870 0.077 0.000 1.079 210 L CA 0.691 55.575 54.840 0.073 0.000 0.752 210 L CB -0.307 41.833 42.059 0.135 0.000 0.906 210 L HN 0.064 nan 8.230 nan 0.000 0.436 211 R N 0.188 120.754 120.500 0.110 0.000 2.105 211 R HA -0.208 4.184 4.340 0.087 0.000 0.239 211 R C 2.193 178.530 176.300 0.062 0.000 1.135 211 R CA 1.401 57.567 56.100 0.110 0.000 0.967 211 R CB -0.453 29.982 30.300 0.224 0.000 0.861 211 R HN 0.349 nan 8.270 nan 0.000 0.442 212 Q N 1.080 120.900 119.800 0.034 0.000 2.046 212 Q HA -0.125 4.268 4.340 0.087 0.000 0.200 212 Q C 1.987 177.990 176.000 0.006 0.000 0.975 212 Q CA 1.638 57.446 55.803 0.008 0.000 0.836 212 Q CB -0.035 28.694 28.738 -0.015 0.000 0.896 212 Q HN 0.363 nan 8.270 nan 0.000 0.428 213 Q N -0.741 119.064 119.800 0.008 0.000 2.096 213 Q HA -0.171 4.222 4.340 0.087 0.000 0.204 213 Q C 2.224 178.235 176.000 0.018 0.000 0.982 213 Q CA 1.544 57.353 55.803 0.009 0.000 0.850 213 Q CB -0.310 28.431 28.738 0.005 0.000 0.901 213 Q HN 0.349 nan 8.270 nan 0.000 0.422 214 S N 0.084 115.798 115.700 0.023 0.000 2.356 214 S HA -0.186 4.336 4.470 0.087 0.000 0.223 214 S C 2.015 176.634 174.600 0.032 0.000 1.032 214 S CA 1.138 59.355 58.200 0.028 0.000 1.005 214 S CB -0.282 62.933 63.200 0.026 0.000 0.867 214 S HN 0.473 nan 8.310 nan 0.000 0.449 215 A N 1.595 124.422 122.820 0.011 0.000 1.883 215 A HA -0.168 4.205 4.320 0.087 0.000 0.217 215 A C 1.885 179.464 177.584 -0.009 0.000 1.186 215 A CA 2.140 54.164 52.037 -0.021 0.000 0.624 215 A CB -1.074 17.893 19.000 -0.056 0.000 0.822 215 A HN 0.577 nan 8.150 nan 0.000 0.444 216 D N -0.014 120.387 120.400 0.002 0.000 2.117 216 D HA -0.055 4.637 4.640 0.087 0.000 0.197 216 D C 2.248 178.576 176.300 0.047 0.000 0.987 216 D CA 1.597 55.604 54.000 0.012 0.000 0.829 216 D CB -0.544 40.261 40.800 0.008 0.000 0.961 216 D HN 0.436 nan 8.370 nan 0.000 0.460 217 A N 0.677 123.533 122.820 0.060 0.000 1.902 217 A HA -0.121 4.251 4.320 0.087 0.000 0.217 217 A C 2.400 180.081 177.584 0.162 0.000 1.181 217 A CA 0.962 53.054 52.037 0.091 0.000 0.623 217 A CB -0.768 18.279 19.000 0.079 0.000 0.818 217 A HN 0.210 nan 8.150 nan 0.000 0.443 218 L N -0.920 120.424 121.223 0.202 0.000 2.093 218 L HA -0.148 4.244 4.340 0.087 0.000 0.208 218 L C 3.049 180.198 176.870 0.465 0.000 1.085 218 L CA 0.958 56.039 54.840 0.401 0.000 0.755 218 L CB -0.557 41.733 42.059 0.384 0.000 0.904 218 L HN 0.425 nan 8.230 nan 0.000 0.435 219 A N 0.305 123.270 122.820 0.241 0.000 1.969 219 A HA -0.197 4.175 4.320 0.087 0.000 0.218 219 A C 2.415 180.076 177.584 0.129 0.000 1.169 219 A CA 1.857 53.989 52.037 0.157 0.000 0.635 219 A CB -0.712 18.283 19.000 -0.008 0.000 0.810 219 A HN 0.443 nan 8.150 nan 0.000 0.445 220 E N 0.127 120.388 120.200 0.101 0.000 2.106 220 E HA -0.094 4.309 4.350 0.087 0.000 0.192 220 E C 1.818 178.443 176.600 0.041 0.000 0.984 220 E CA 1.374 57.810 56.400 0.061 0.000 0.806 220 E CB -0.757 28.975 29.700 0.052 0.000 0.750 220 E HN 0.713 nan 8.360 nan 0.000 0.458 221 I N -0.559 120.048 120.570 0.062 0.000 2.233 221 I HA 0.218 4.441 4.170 0.087 0.000 0.243 221 I C 1.499 177.488 176.117 -0.213 0.000 1.093 221 I CA 1.116 62.382 61.300 -0.056 0.000 1.380 221 I CB -0.170 37.821 38.000 -0.016 0.000 1.067 221 I HN 0.506 nan 8.210 nan 0.000 0.413 222 G N 0.846 109.555 108.800 -0.151 0.000 3.322 222 G HA2 -0.166 3.846 3.960 0.087 0.000 0.686 222 G HA3 -0.166 3.846 3.960 0.087 0.000 0.686 222 G C -0.830 173.728 174.900 -0.571 0.000 1.015 222 G CA -0.843 44.174 45.100 -0.137 0.000 0.826 222 G HN 0.067 nan 8.290 nan 0.000 0.538 223 F N 0.511 120.375 119.950 -0.144 0.000 2.620 223 F HA 0.539 5.118 4.527 0.087 0.000 0.320 223 F C 1.051 176.563 175.800 -0.479 0.000 1.069 223 F CA -0.974 56.766 58.000 -0.434 0.000 0.953 223 F CB 1.615 40.161 39.000 -0.756 0.000 1.322 223 F HN 0.346 nan 8.300 nan 0.000 0.479 224 D N 0.393 120.583 120.400 -0.350 0.000 2.277 224 D HA 0.192 4.884 4.640 0.087 0.000 0.208 224 D C 0.623 176.474 176.300 -0.748 0.000 0.962 224 D CA 0.864 54.529 54.000 -0.558 0.000 0.865 224 D CB 0.420 40.674 40.800 -0.910 0.000 0.939 224 D HN 0.603 nan 8.370 nan 0.000 0.510 225 G N -0.764 107.311 108.800 -1.208 0.000 2.646 225 G HA2 0.464 4.476 3.960 0.087 0.000 0.291 225 G HA3 0.464 4.476 3.960 0.087 0.000 0.291 225 G C -2.067 171.968 174.900 -1.441 0.000 1.445 225 G CA -0.755 43.342 45.100 -1.672 0.000 0.814 225 G HN -0.061 nan 8.290 nan 0.000 0.495 226 Y N 0.151 120.116 120.300 -0.559 0.000 2.338 226 Y HA 0.657 5.259 4.550 0.087 0.000 0.333 226 Y C 0.585 176.423 175.900 -0.104 0.000 0.968 226 Y CA -0.564 57.389 58.100 -0.245 0.000 1.123 226 Y CB 2.260 40.641 38.460 -0.132 0.000 1.165 226 Y HN 0.813 nan 8.280 nan 0.000 0.452 227 A N 2.411 125.248 122.820 0.028 0.000 2.304 227 A HA 0.710 5.083 4.320 0.087 0.000 0.301 227 A C -0.793 176.735 177.584 -0.094 0.000 1.132 227 A CA -0.664 51.351 52.037 -0.038 0.000 0.819 227 A CB 0.614 19.513 19.000 -0.169 0.000 1.094 227 A HN 0.536 nan 8.150 nan 0.000 0.492 228 V N 2.657 122.486 119.914 -0.143 0.000 2.334 228 V HA 0.492 4.665 4.120 0.087 0.000 0.267 228 V C 1.040 177.031 176.094 -0.172 0.000 1.040 228 V CA 0.197 62.419 62.300 -0.131 0.000 0.866 228 V CB 0.431 32.187 31.823 -0.112 0.000 1.019 228 V HN 1.077 nan 8.190 nan 0.000 0.468 229 G N 2.644 111.361 108.800 -0.138 0.000 2.511 229 G HA2 0.548 4.560 3.960 0.087 0.000 0.316 229 G HA3 0.548 4.560 3.960 0.087 0.000 0.316 229 G C 0.901 175.753 174.900 -0.081 0.000 1.210 229 G CA 0.016 45.035 45.100 -0.135 0.000 0.969 229 G HN 1.501 nan 8.290 nan 0.000 0.492 230 G N -1.722 107.047 108.800 -0.052 0.000 2.162 230 G HA2 -0.224 3.788 3.960 0.087 0.000 0.260 230 G HA3 -0.224 3.788 3.960 0.087 0.000 0.260 230 G C 0.293 175.179 174.900 -0.023 0.000 0.976 230 G CA 0.758 45.856 45.100 -0.003 0.000 0.655 230 G HN 0.612 nan 8.290 nan 0.000 0.533 231 L N -1.308 119.880 121.223 -0.058 0.000 2.299 231 L HA 0.737 5.129 4.340 0.087 0.000 0.268 231 L C 1.631 178.465 176.870 -0.059 0.000 1.012 231 L CA -0.734 54.059 54.840 -0.079 0.000 0.816 231 L CB 1.362 43.371 42.059 -0.082 0.000 1.355 231 L HN 1.156 nan 8.230 nan 0.000 0.457 232 A N 0.531 123.309 122.820 -0.069 0.000 2.560 232 A HA -0.115 4.257 4.320 0.087 0.000 0.299 232 A C 0.318 177.903 177.584 0.003 0.000 1.484 232 A CA 0.893 52.910 52.037 -0.034 0.000 0.749 232 A CB -2.032 16.966 19.000 -0.003 0.000 1.072 232 A HN 0.968 nan 8.150 nan 0.000 0.426 233 V N -4.098 115.800 119.914 -0.026 0.000 3.078 233 V HA 0.692 4.864 4.120 0.087 0.000 0.344 233 V C 1.265 177.377 176.094 0.029 0.000 1.409 233 V CA 0.529 62.857 62.300 0.046 0.000 1.146 233 V CB -0.117 31.763 31.823 0.094 0.000 1.126 233 V HN 2.418 nan 8.190 nan 0.000 0.513 234 G N 1.591 110.363 108.800 -0.048 0.000 2.183 234 G HA2 -0.193 3.819 3.960 0.087 0.000 0.168 234 G HA3 -0.193 3.819 3.960 0.087 0.000 0.168 234 G C 0.694 175.489 174.900 -0.175 0.000 1.008 234 G CA 0.309 45.395 45.100 -0.023 0.000 0.677 234 G HN 0.676 nan 8.290 nan 0.000 0.498 235 E N 1.342 121.245 120.200 -0.495 0.000 2.385 235 E HA 0.396 4.798 4.350 0.087 0.000 0.194 235 E C 1.214 177.633 176.600 -0.302 0.000 1.013 235 E CA 1.253 57.217 56.400 -0.727 0.000 0.866 235 E CB -0.101 28.964 29.700 -1.059 0.000 0.832 235 E HN 1.975 nan 8.360 nan 0.000 0.500 236 G N 1.671 110.344 108.800 -0.212 0.000 2.705 236 G HA2 -0.302 3.710 3.960 0.087 0.000 0.686 236 G HA3 -0.302 3.710 3.960 0.087 0.000 0.686 236 G C 0.150 174.921 174.900 -0.216 0.000 1.285 236 G CA 0.070 45.075 45.100 -0.159 0.000 0.800 236 G HN 0.210 nan 8.290 nan 0.000 0.611 237 Q N -0.331 119.317 119.800 -0.254 0.000 2.084 237 Q HA -0.146 4.246 4.340 0.087 0.000 0.202 237 Q C 1.986 177.680 176.000 -0.509 0.000 0.978 237 Q CA 2.165 57.684 55.803 -0.474 0.000 0.844 237 Q CB -0.100 28.315 28.738 -0.538 0.000 0.898 237 Q HN 0.666 nan 8.270 nan 0.000 0.426 238 D N 0.223 120.454 120.400 -0.281 0.000 2.117 238 D HA -0.179 4.513 4.640 0.087 0.000 0.197 238 D C 1.700 177.949 176.300 -0.085 0.000 0.987 238 D CA 1.378 55.288 54.000 -0.149 0.000 0.829 238 D CB -0.094 40.661 40.800 -0.075 0.000 0.961 238 D HN 0.315 nan 8.370 nan 0.000 0.460 239 E N 0.059 120.189 120.200 -0.117 0.000 2.107 239 E HA -0.056 4.346 4.350 0.087 0.000 0.191 239 E C 2.040 178.566 176.600 -0.124 0.000 0.982 239 E CA 0.458 56.797 56.400 -0.102 0.000 0.809 239 E CB -0.162 29.463 29.700 -0.125 0.000 0.756 239 E HN 0.179 nan 8.360 nan 0.000 0.459 240 M N -0.624 118.880 119.600 -0.160 0.000 2.080 240 M HA -0.155 4.378 4.480 0.087 0.000 0.260 240 M C 1.295 177.629 176.300 0.056 0.000 1.068 240 M CA 1.450 56.689 55.300 -0.102 0.000 1.109 240 M CB -0.141 32.385 32.600 -0.123 0.000 1.342 240 M HN 0.146 nan 8.290 nan 0.000 0.405 241 F N 0.353 120.248 119.950 -0.092 0.000 2.134 241 F HA -0.171 4.408 4.527 0.086 0.000 0.299 241 F C 2.670 178.389 175.800 -0.135 0.000 1.097 241 F CA 1.474 59.424 58.000 -0.083 0.000 1.264 241 F CB -1.398 37.578 39.000 -0.040 0.000 1.001 241 F HN 0.283 nan 8.300 nan 0.000 0.479 242 R N 0.404 120.934 120.500 0.050 0.000 2.081 242 R HA -0.132 4.260 4.340 0.087 0.000 0.235 242 R C 2.083 178.167 176.300 -0.359 0.000 1.131 242 R CA 1.647 57.709 56.100 -0.063 0.000 0.960 242 R CB -0.386 29.913 30.300 -0.001 0.000 0.856 242 R HN 0.148 nan 8.270 nan 0.000 0.436 243 V N 1.362 121.024 119.914 -0.420 0.000 2.427 243 V HA -0.212 3.961 4.120 0.087 0.000 0.248 243 V C 2.379 177.988 176.094 -0.807 0.000 1.051 243 V CA 1.458 63.235 62.300 -0.871 0.000 1.048 243 V CB -0.372 31.211 31.823 -0.400 0.000 0.666 243 V HN 0.331 nan 8.190 nan 0.000 0.456 244 L N -0.178 120.834 121.223 -0.352 0.000 2.079 244 L HA -0.205 4.188 4.340 0.087 0.000 0.210 244 L C 2.416 179.143 176.870 -0.238 0.000 1.081 244 L CA 1.497 56.200 54.840 -0.228 0.000 0.752 244 L CB -0.819 41.198 42.059 -0.070 0.000 0.896 244 L HN 0.339 nan 8.230 nan 0.000 0.433 245 D N 0.367 120.624 120.400 -0.238 0.000 2.149 245 D HA -0.229 4.463 4.640 0.087 0.000 0.194 245 D C 1.887 178.156 176.300 -0.051 0.000 1.001 245 D CA 1.832 55.758 54.000 -0.123 0.000 0.849 245 D CB -0.186 40.576 40.800 -0.062 0.000 0.939 245 D HN 0.501 nan 8.370 nan 0.000 0.449 246 F N -0.533 119.415 119.950 -0.003 0.000 2.619 246 F HA 0.336 4.916 4.527 0.088 0.000 0.293 246 F C 2.155 177.937 175.800 -0.029 0.000 1.119 246 F CA -0.051 57.943 58.000 -0.011 0.000 1.445 246 F CB -0.542 38.457 39.000 -0.002 0.000 1.119 246 F HN -0.243 nan 8.300 nan 0.000 0.573 247 S N 0.994 116.691 115.700 -0.004 0.000 2.388 247 S HA -0.035 4.487 4.470 0.087 0.000 0.223 247 S C 2.165 176.733 174.600 -0.055 0.000 1.034 247 S CA 1.081 59.311 58.200 0.051 0.000 0.963 247 S CB -0.473 62.697 63.200 -0.051 0.000 0.827 247 S HN 0.246 nan 8.310 nan 0.000 0.481 248 V N 2.826 122.673 119.914 -0.113 0.000 2.343 248 V HA -0.072 4.100 4.120 0.087 0.000 0.247 248 V C -0.912 175.065 176.094 -0.194 0.000 1.051 248 V CA 1.522 63.703 62.300 -0.199 0.000 1.036 248 V CB -1.883 29.848 31.823 -0.152 0.000 0.654 248 V HN 0.313 nan 8.190 nan 0.000 0.451 249 P HA -0.125 nan 4.420 nan 0.000 0.221 249 P C 1.744 179.008 177.300 -0.060 0.000 1.145 249 P CA 1.390 64.464 63.100 -0.043 0.000 0.795 249 P CB -0.146 31.559 31.700 0.009 0.000 0.775 250 M N -1.913 117.647 119.600 -0.066 0.000 2.394 250 M HA -0.034 4.499 4.480 0.087 0.000 0.264 250 M C 0.733 176.945 176.300 -0.147 0.000 1.073 250 M CA 0.882 56.139 55.300 -0.071 0.000 1.111 250 M CB -0.524 32.057 32.600 -0.031 0.000 1.401 250 M HN -0.097 nan 8.290 nan 0.000 0.448 251 L N 0.513 121.594 121.223 -0.236 0.000 2.418 251 L HA 0.286 4.678 4.340 0.087 0.000 0.265 251 L C -2.079 174.633 176.870 -0.263 0.000 1.143 251 L CA -2.265 52.357 54.840 -0.363 0.000 0.809 251 L CB -0.355 41.416 42.059 -0.481 0.000 1.124 251 L HN -0.231 nan 8.230 nan 0.000 0.456 252 P HA -0.036 nan 4.420 nan 0.000 0.263 252 P C -0.096 177.294 177.300 0.149 0.000 1.195 252 P CA 0.208 63.246 63.100 -0.103 0.000 0.762 252 P CB 0.549 32.156 31.700 -0.154 0.000 0.799 253 D N 2.587 123.071 120.400 0.140 0.000 2.178 253 D HA -0.186 4.507 4.640 0.087 0.000 0.202 253 D C 0.970 177.376 176.300 0.177 0.000 0.974 253 D CA 1.168 55.288 54.000 0.200 0.000 0.841 253 D CB -0.015 40.855 40.800 0.116 0.000 0.953 253 D HN 0.375 nan 8.370 nan 0.000 0.478 254 D N -0.818 119.680 120.400 0.164 0.000 2.319 254 D HA -0.001 4.692 4.640 0.087 0.000 0.230 254 D C -0.074 176.428 176.300 0.337 0.000 1.094 254 D CA 0.106 54.221 54.000 0.191 0.000 0.856 254 D CB 0.053 40.931 40.800 0.130 0.000 0.915 254 D HN 0.027 nan 8.370 nan 0.000 0.517 255 K N 0.700 121.268 120.400 0.280 0.000 2.340 255 K HA 0.477 4.850 4.320 0.087 0.000 0.244 255 K C -2.842 173.623 176.600 -0.226 0.000 0.973 255 K CA -2.251 54.156 56.287 0.200 0.000 0.828 255 K CB 1.619 34.280 32.500 0.270 0.000 1.226 255 K HN -0.101 nan 8.250 nan 0.000 0.437 256 P HA 0.140 nan 4.420 nan 0.000 0.272 256 P C -0.941 176.191 177.300 -0.280 0.000 1.223 256 P CA 0.051 62.644 63.100 -0.846 0.000 0.784 256 P CB 0.252 31.509 31.700 -0.739 0.000 0.923 257 H N 0.819 119.797 119.070 -0.152 0.000 2.638 257 H HA 0.306 4.915 4.556 0.087 0.000 0.317 257 H C -0.936 174.381 175.328 -0.019 0.000 1.006 257 H CA -0.640 55.375 56.048 -0.055 0.000 1.222 257 H CB 0.737 30.472 29.762 -0.045 0.000 1.419 257 H HN 0.396 nan 8.280 nan 0.000 0.489 258 Y N 4.327 124.627 120.300 0.001 0.000 2.334 258 Y HA 0.271 4.874 4.550 0.088 0.000 0.336 258 Y C -1.507 174.319 175.900 -0.123 0.000 0.960 258 Y CA -1.881 56.176 58.100 -0.072 0.000 1.164 258 Y CB 0.725 39.239 38.460 0.091 0.000 1.155 258 Y HN 0.501 nan 8.280 nan 0.000 0.478 259 L N 7.828 128.962 121.223 -0.149 0.000 2.268 259 L HA 0.432 4.824 4.340 0.087 0.000 0.289 259 L C -0.638 176.079 176.870 -0.255 0.000 1.064 259 L CA -0.265 54.445 54.840 -0.216 0.000 0.824 259 L CB 0.186 42.179 42.059 -0.109 0.000 1.202 259 L HN 0.685 nan 8.230 nan 0.000 0.433 260 M N 5.163 124.459 119.600 -0.506 0.000 2.217 260 M HA 0.290 4.822 4.480 0.087 0.000 0.352 260 M C 1.346 177.522 176.300 -0.207 0.000 1.376 260 M CA 0.666 55.654 55.300 -0.520 0.000 1.107 260 M CB 0.469 32.701 32.600 -0.613 0.000 1.723 260 M HN 0.870 nan 8.290 nan 0.000 0.461 261 G N 2.429 111.179 108.800 -0.082 0.000 2.143 261 G HA2 -0.177 3.835 3.960 0.087 0.000 0.249 261 G HA3 -0.177 3.835 3.960 0.087 0.000 0.249 261 G C -0.244 174.706 174.900 0.083 0.000 0.981 261 G CA -0.243 44.832 45.100 -0.042 0.000 0.665 261 G HN 0.576 nan 8.290 nan 0.000 0.528 262 V N 0.082 120.113 119.914 0.194 0.000 2.483 262 V HA 0.934 5.106 4.120 0.087 0.000 0.295 262 V C 0.834 177.178 176.094 0.416 0.000 1.035 262 V CA 0.689 63.159 62.300 0.284 0.000 0.896 262 V CB 1.278 33.300 31.823 0.331 0.000 0.986 262 V HN 1.524 nan 8.190 nan 0.000 0.447 263 G N 4.171 113.162 108.800 0.319 0.000 2.399 263 G HA2 0.200 4.212 3.960 0.087 0.000 0.256 263 G HA3 0.200 4.212 3.960 0.087 0.000 0.256 263 G C -1.182 173.802 174.900 0.140 0.000 1.236 263 G CA -0.971 44.249 45.100 0.200 0.000 0.914 263 G HN 0.536 nan 8.290 nan 0.000 0.482 264 K N 1.126 121.586 120.400 0.100 0.000 2.276 264 K HA 0.275 4.647 4.320 0.087 0.000 0.259 264 K C -1.673 174.855 176.600 -0.120 0.000 1.001 264 K CA -0.955 55.368 56.287 0.060 0.000 0.927 264 K CB 1.179 33.777 32.500 0.164 0.000 0.969 264 K HN 0.027 nan 8.250 nan 0.000 0.490 265 P HA -0.244 nan 4.420 nan 0.000 0.216 265 P C 0.586 177.719 177.300 -0.279 0.000 1.157 265 P CA 1.535 64.346 63.100 -0.481 0.000 0.880 265 P CB 0.174 31.600 31.700 -0.457 0.000 0.791 266 D N -1.523 118.873 120.400 -0.007 0.000 2.224 266 D HA -0.139 4.553 4.640 0.087 0.000 0.205 266 D C 1.412 177.853 176.300 0.235 0.000 0.965 266 D CA 0.938 55.081 54.000 0.239 0.000 0.852 266 D CB -0.507 40.616 40.800 0.538 0.000 0.947 266 D HN 0.013 nan 8.370 nan 0.000 0.494 267 D N -0.074 120.422 120.400 0.161 0.000 2.117 267 D HA -0.123 4.569 4.640 0.087 0.000 0.197 267 D C 2.232 178.651 176.300 0.199 0.000 0.987 267 D CA 0.623 54.763 54.000 0.233 0.000 0.829 267 D CB -0.140 40.740 40.800 0.135 0.000 0.961 267 D HN 0.374 nan 8.370 nan 0.000 0.460 268 I N 0.567 121.076 120.570 -0.102 0.000 2.179 268 I HA -0.227 3.995 4.170 0.087 0.000 0.242 268 I C 2.471 178.475 176.117 -0.189 0.000 1.088 268 I CA 0.629 61.644 61.300 -0.475 0.000 1.357 268 I CB -0.169 37.349 38.000 -0.802 0.000 1.051 268 I HN -0.120 nan 8.210 nan 0.000 0.409 269 V N 1.017 120.868 119.914 -0.106 0.000 2.287 269 V HA -0.248 3.924 4.120 0.087 0.000 0.248 269 V C 2.543 178.717 176.094 0.134 0.000 1.053 269 V CA 2.314 64.644 62.300 0.050 0.000 1.027 269 V CB -1.413 30.369 31.823 -0.068 0.000 0.646 269 V HN 0.592 nan 8.190 nan 0.000 0.447 270 G N -0.864 107.992 108.800 0.092 0.000 2.422 270 G HA2 -0.105 3.908 3.960 0.087 0.000 0.218 270 G HA3 -0.105 3.908 3.960 0.087 0.000 0.218 270 G C 1.715 176.424 174.900 -0.318 0.000 1.140 270 G CA 0.894 45.841 45.100 -0.255 0.000 0.775 270 G HN 0.607 nan 8.290 nan 0.000 0.545 271 A N 0.234 123.084 122.820 0.050 0.000 1.930 271 A HA 0.131 4.503 4.320 0.087 0.000 0.217 271 A C 2.544 180.283 177.584 0.258 0.000 1.175 271 A CA 1.563 53.720 52.037 0.200 0.000 0.627 271 A CB -0.461 18.851 19.000 0.521 0.000 0.815 271 A HN 0.221 nan 8.150 nan 0.000 0.443 272 V N 0.318 120.438 119.914 0.344 0.000 2.407 272 V HA -0.256 3.917 4.120 0.087 0.000 0.248 272 V C 2.250 178.493 176.094 0.249 0.000 1.055 272 V CA 2.132 64.600 62.300 0.280 0.000 1.049 272 V CB -0.858 31.081 31.823 0.194 0.000 0.662 272 V HN 0.637 nan 8.190 nan 0.000 0.455 273 E N -0.096 120.295 120.200 0.319 0.000 2.267 273 E HA -0.201 4.201 4.350 0.087 0.000 0.197 273 E C 1.962 178.616 176.600 0.090 0.000 0.998 273 E CA 0.870 57.424 56.400 0.257 0.000 0.830 273 E CB -0.102 29.634 29.700 0.058 0.000 0.751 273 E HN 0.547 nan 8.360 nan 0.000 0.491 274 R N -1.021 119.497 120.500 0.030 0.000 2.468 274 R HA 0.148 4.540 4.340 0.087 0.000 0.280 274 R C 0.700 177.030 176.300 0.050 0.000 0.963 274 R CA 0.428 56.527 56.100 -0.003 0.000 1.083 274 R CB 1.169 31.416 30.300 -0.088 0.000 1.200 274 R HN 0.184 nan 8.270 nan 0.000 0.541 275 G N 0.760 109.624 108.800 0.106 0.000 2.148 275 G HA2 -0.174 3.839 3.960 0.087 0.000 0.203 275 G HA3 -0.174 3.839 3.960 0.087 0.000 0.203 275 G C -0.029 175.002 174.900 0.218 0.000 0.993 275 G CA -0.675 44.523 45.100 0.163 0.000 0.661 275 G HN 0.076 nan 8.290 nan 0.000 0.518 276 I N 1.540 122.192 120.570 0.136 0.000 2.428 276 I HA 0.325 4.548 4.170 0.087 0.000 0.289 276 I C 0.479 176.594 176.117 -0.004 0.000 1.019 276 I CA -0.326 60.992 61.300 0.031 0.000 1.351 276 I CB 1.244 39.181 38.000 -0.105 0.000 1.412 276 I HN 0.035 nan 8.210 nan 0.000 0.513 277 D N 5.048 125.396 120.400 -0.087 0.000 2.423 277 D HA 0.207 4.899 4.640 0.087 0.000 0.212 277 D C 0.268 176.518 176.300 -0.083 0.000 1.060 277 D CA 0.763 54.733 54.000 -0.050 0.000 0.872 277 D CB 1.015 41.755 40.800 -0.100 0.000 1.012 277 D HN 0.410 nan 8.370 nan 0.000 0.503 278 M N 0.036 119.467 119.600 -0.281 0.000 2.470 278 M HA 0.437 4.969 4.480 0.087 0.000 0.285 278 M C -1.607 174.449 176.300 -0.408 0.000 1.213 278 M CA -0.564 54.609 55.300 -0.212 0.000 0.901 278 M CB 3.066 35.550 32.600 -0.192 0.000 1.718 278 M HN -0.308 nan 8.290 nan 0.000 0.469 279 F N 0.449 120.470 119.950 0.119 0.000 2.601 279 F HA 0.570 5.149 4.527 0.086 0.000 0.309 279 F C -0.821 174.940 175.800 -0.065 0.000 1.089 279 F CA -0.764 57.351 58.000 0.190 0.000 0.940 279 F CB 1.937 41.132 39.000 0.324 0.000 1.273 279 F HN 0.556 nan 8.300 nan 0.000 0.450 280 D N 0.804 121.325 120.400 0.201 0.000 2.756 280 D HA 0.641 5.333 4.640 0.087 0.000 0.226 280 D C -1.385 174.970 176.300 0.090 0.000 1.186 280 D CA -0.515 53.402 54.000 -0.139 0.000 0.845 280 D CB 2.344 43.094 40.800 -0.083 0.000 1.610 280 D HN 0.808 nan 8.370 nan 0.000 0.465 281 C N -0.320 119.026 119.300 0.077 0.000 3.275 281 C HA 0.477 4.989 4.460 0.087 0.000 0.345 281 C C 1.031 176.086 174.990 0.109 0.000 1.257 281 C CA -0.201 58.907 59.018 0.151 0.000 1.203 281 C CB 0.565 28.453 27.740 0.247 0.000 1.492 281 C HN 0.646 nan 8.230 nan 0.000 0.484 282 V N 1.105 121.054 119.914 0.058 0.000 3.461 282 V HA 0.086 4.258 4.120 0.087 0.000 0.267 282 V C 1.852 177.962 176.094 0.026 0.000 1.186 282 V CA 1.052 63.368 62.300 0.027 0.000 1.154 282 V CB -0.853 30.983 31.823 0.021 0.000 0.802 282 V HN 0.922 nan 8.190 nan 0.000 0.474 283 L N 0.982 122.231 121.223 0.043 0.000 1.997 283 L HA -0.087 4.306 4.340 0.087 0.000 0.216 283 L C 0.466 177.365 176.870 0.048 0.000 1.074 283 L CA 2.900 57.784 54.840 0.073 0.000 0.763 283 L CB -1.391 40.738 42.059 0.116 0.000 0.890 283 L HN 0.382 nan 8.230 nan 0.000 0.434 284 P HA -0.123 nan 4.420 nan 0.000 0.218 284 P C 1.417 178.708 177.300 -0.016 0.000 1.149 284 P CA 2.044 65.051 63.100 -0.154 0.000 0.817 284 P CB -0.200 31.084 31.700 -0.693 0.000 0.785 285 T N -1.905 112.628 114.554 -0.035 0.000 2.814 285 T HA -0.021 4.381 4.350 0.087 0.000 0.254 285 T C 2.143 176.843 174.700 -0.000 0.000 1.037 285 T CA 0.587 62.678 62.100 -0.016 0.000 1.143 285 T CB -0.765 68.085 68.868 -0.031 0.000 0.866 285 T HN 0.012 nan 8.240 nan 0.000 0.431 286 R N 1.670 122.175 120.500 0.007 0.000 2.070 286 R HA -0.114 4.278 4.340 0.087 0.000 0.233 286 R C 2.770 179.081 176.300 0.019 0.000 1.137 286 R CA 2.063 58.171 56.100 0.013 0.000 0.945 286 R CB -0.565 29.750 30.300 0.024 0.000 0.845 286 R HN 0.557 nan 8.270 nan 0.000 0.430 287 S N -0.820 114.909 115.700 0.049 0.000 2.428 287 S HA -0.006 4.517 4.470 0.087 0.000 0.230 287 S C 2.090 176.690 174.600 -0.001 0.000 1.014 287 S CA 0.776 58.996 58.200 0.033 0.000 0.957 287 S CB -0.365 62.882 63.200 0.079 0.000 0.784 287 S HN 0.532 nan 8.310 nan 0.000 0.499 288 G N 2.223 111.038 108.800 0.025 0.000 2.446 288 G HA2 -0.187 3.825 3.960 0.087 0.000 0.217 288 G HA3 -0.187 3.825 3.960 0.087 0.000 0.217 288 G C 1.712 176.591 174.900 -0.035 0.000 1.168 288 G CA 0.549 45.649 45.100 -0.001 0.000 0.771 288 G HN 0.571 nan 8.290 nan 0.000 0.551 289 R N 0.134 120.616 120.500 -0.029 0.000 2.237 289 R HA -0.038 4.355 4.340 0.087 0.000 0.219 289 R C 2.342 178.609 176.300 -0.054 0.000 1.080 289 R CA 1.089 57.161 56.100 -0.046 0.000 0.995 289 R CB -0.555 29.723 30.300 -0.036 0.000 0.875 289 R HN 0.512 nan 8.270 nan 0.000 0.462 290 N N 0.212 118.884 118.700 -0.047 0.000 2.336 290 N HA 0.110 4.902 4.740 0.087 0.000 0.189 290 N C 1.267 176.736 175.510 -0.068 0.000 1.113 290 N CA 0.638 53.658 53.050 -0.051 0.000 0.858 290 N CB 0.356 38.822 38.487 -0.033 0.000 0.970 290 N HN 0.316 nan 8.380 nan 0.000 0.471 291 G N -1.093 107.656 108.800 -0.085 0.000 2.195 291 G HA2 -0.224 3.788 3.960 0.087 0.000 0.224 291 G HA3 -0.224 3.788 3.960 0.087 0.000 0.224 291 G C 0.039 174.856 174.900 -0.138 0.000 0.990 291 G CA 0.244 45.282 45.100 -0.104 0.000 0.639 291 G HN 0.849 nan 8.290 nan 0.000 0.514 292 Q N 0.843 120.548 119.800 -0.158 0.000 2.295 292 Q HA 0.658 5.050 4.340 0.087 0.000 0.259 292 Q C 0.090 175.881 176.000 -0.348 0.000 0.976 292 Q CA 0.269 55.910 55.803 -0.270 0.000 0.923 292 Q CB 0.803 29.360 28.738 -0.301 0.000 1.185 292 Q HN 0.864 nan 8.270 nan 0.000 0.410 293 A N 4.640 127.217 122.820 -0.405 0.000 2.303 293 A HA 0.561 4.934 4.320 0.087 0.000 0.320 293 A C -1.209 176.055 177.584 -0.534 0.000 1.192 293 A CA -0.628 51.212 52.037 -0.329 0.000 0.821 293 A CB 0.454 19.283 19.000 -0.285 0.000 1.188 293 A HN 0.751 nan 8.150 nan 0.000 0.492 294 F N 1.774 121.590 119.950 -0.223 0.000 2.443 294 F HA 0.500 5.078 4.527 0.084 0.000 0.353 294 F C 1.378 176.669 175.800 -0.848 0.000 1.101 294 F CA 0.764 58.399 58.000 -0.609 0.000 1.226 294 F CB 1.608 40.100 39.000 -0.847 0.000 1.140 294 F HN 0.648 nan 8.300 nan 0.000 0.557 295 T N -1.675 112.476 114.554 -0.670 0.000 2.864 295 T HA 0.256 4.658 4.350 0.087 0.000 0.299 295 T C 0.118 174.713 174.700 -0.176 0.000 1.166 295 T CA -0.964 60.881 62.100 -0.425 0.000 1.007 295 T CB 0.775 69.540 68.868 -0.173 0.000 1.219 295 T HN 0.594 nan 8.240 nan 0.000 0.506 296 W N 0.332 121.845 121.300 0.354 0.000 2.465 296 W HA 0.105 4.817 4.660 0.086 0.000 0.268 296 W C 1.180 177.764 176.519 0.108 0.000 1.242 296 W CA 0.196 57.775 57.345 0.391 0.000 1.248 296 W CB 0.062 29.708 29.460 0.309 0.000 1.118 296 W HN 0.660 nan 8.180 nan 0.000 0.587 297 D N -0.108 120.370 120.400 0.130 0.000 2.336 297 D HA 0.247 4.939 4.640 0.087 0.000 0.228 297 D C 1.122 177.203 176.300 -0.366 0.000 1.120 297 D CA 1.027 54.976 54.000 -0.086 0.000 0.839 297 D CB -0.093 40.692 40.800 -0.025 0.000 0.932 297 D HN 0.122 nan 8.370 nan 0.000 0.509 298 G N 2.163 110.523 108.800 -0.733 0.000 2.663 298 G HA2 -0.161 3.852 3.960 0.087 0.000 0.686 298 G HA3 -0.161 3.852 3.960 0.087 0.000 0.686 298 G C -2.980 171.531 174.900 -0.649 0.000 1.288 298 G CA -1.179 43.207 45.100 -1.190 0.000 0.836 298 G HN -0.099 nan 8.290 nan 0.000 0.584 299 P HA 0.549 nan 4.420 nan 0.000 0.272 299 P C 0.199 177.304 177.300 -0.325 0.000 1.223 299 P CA -0.101 62.726 63.100 -0.456 0.000 0.784 299 P CB 0.730 32.171 31.700 -0.431 0.000 0.923 300 I N -1.637 118.742 120.570 -0.319 0.000 2.785 300 I HA 0.560 4.782 4.170 0.087 0.000 0.302 300 I C -0.555 175.454 176.117 -0.180 0.000 1.069 300 I CA -1.079 60.116 61.300 -0.176 0.000 1.045 300 I CB 2.426 40.321 38.000 -0.174 0.000 1.236 300 I HN 0.085 nan 8.210 nan 0.000 0.429 301 N N 3.540 122.226 118.700 -0.023 0.000 2.501 301 N HA 0.246 5.038 4.740 0.087 0.000 0.245 301 N C 0.326 175.872 175.510 0.060 0.000 0.974 301 N CA -0.370 52.665 53.050 -0.026 0.000 0.941 301 N CB 1.711 40.204 38.487 0.010 0.000 1.122 301 N HN 0.845 nan 8.380 nan 0.000 0.507 302 I N 4.353 124.854 120.570 -0.115 0.000 2.700 302 I HA -0.094 4.128 4.170 0.087 0.000 0.261 302 I C 1.997 178.244 176.117 0.216 0.000 1.219 302 I CA 1.021 62.242 61.300 -0.132 0.000 1.463 302 I CB 0.054 37.913 38.000 -0.236 0.000 1.092 302 I HN 0.487 nan 8.210 nan 0.000 0.452 303 R N 0.323 120.903 120.500 0.135 0.000 2.189 303 R HA -0.090 4.302 4.340 0.087 0.000 0.223 303 R C 1.034 177.515 176.300 0.302 0.000 1.092 303 R CA 0.207 56.374 56.100 0.111 0.000 0.989 303 R CB -0.570 29.731 30.300 0.001 0.000 0.876 303 R HN 0.367 nan 8.270 nan 0.000 0.457 304 N N 0.879 119.783 118.700 0.340 0.000 2.412 304 N HA -0.073 4.720 4.740 0.087 0.000 0.254 304 N C 0.697 176.301 175.510 0.156 0.000 1.232 304 N CA 0.399 53.571 53.050 0.204 0.000 0.880 304 N CB 1.139 39.681 38.487 0.092 0.000 1.076 304 N HN 0.128 nan 8.380 nan 0.000 0.458 305 A N 4.887 127.741 122.820 0.056 0.000 2.076 305 A HA -0.196 4.177 4.320 0.087 0.000 0.220 305 A C 1.986 179.443 177.584 -0.212 0.000 1.160 305 A CA 1.373 53.401 52.037 -0.015 0.000 0.653 305 A CB -0.346 18.654 19.000 -0.001 0.000 0.801 305 A HN 0.899 nan 8.150 nan 0.000 0.455 306 R N -1.849 118.448 120.500 -0.338 0.000 2.285 306 R HA -0.026 4.366 4.340 0.087 0.000 0.213 306 R C 0.524 176.484 176.300 -0.565 0.000 1.068 306 R CA 1.322 57.134 56.100 -0.480 0.000 1.004 306 R CB -0.488 29.449 30.300 -0.605 0.000 0.873 306 R HN 0.404 nan 8.270 nan 0.000 0.467 307 F N 1.622 121.422 119.950 -0.251 0.000 2.727 307 F HA 0.172 4.753 4.527 0.091 0.000 0.302 307 F C 2.147 177.683 175.800 -0.439 0.000 1.097 307 F CA 0.143 57.978 58.000 -0.273 0.000 1.330 307 F CB 0.477 39.377 39.000 -0.167 0.000 1.084 307 F HN 0.109 nan 8.300 nan 0.000 0.578 308 S N -0.258 115.148 115.700 -0.490 0.000 2.447 308 S HA -0.127 4.395 4.470 0.087 0.000 0.233 308 S C 1.092 175.633 174.600 -0.098 0.000 1.006 308 S CA 1.187 59.110 58.200 -0.461 0.000 0.957 308 S CB -0.309 62.741 63.200 -0.250 0.000 0.773 308 S HN 0.541 nan 8.310 nan 0.000 0.507 309 E N 0.538 120.702 120.200 -0.061 0.000 2.876 309 E HA 0.189 4.592 4.350 0.087 0.000 0.208 309 E C -1.159 175.452 176.600 0.018 0.000 0.981 309 E CA -0.251 56.147 56.400 -0.004 0.000 1.174 309 E CB 0.437 30.129 29.700 -0.012 0.000 1.047 309 E HN 0.311 nan 8.360 nan 0.000 0.477 310 D N 1.297 121.724 120.400 0.045 0.000 2.339 310 D HA 0.108 4.801 4.640 0.087 0.000 0.241 310 D C 0.691 177.043 176.300 0.086 0.000 1.183 310 D CA -0.149 53.899 54.000 0.081 0.000 0.859 310 D CB 0.971 41.875 40.800 0.173 0.000 1.067 310 D HN 0.154 nan 8.370 nan 0.000 0.484 311 L N 2.953 124.215 121.223 0.064 0.000 2.591 311 L HA 0.082 4.474 4.340 0.087 0.000 0.228 311 L C 1.285 178.191 176.870 0.060 0.000 1.133 311 L CA 0.234 55.111 54.840 0.062 0.000 0.880 311 L CB -0.081 42.003 42.059 0.043 0.000 1.033 311 L HN 0.142 nan 8.230 nan 0.000 0.450 312 K N 1.297 121.732 120.400 0.060 0.000 2.219 312 K HA 0.170 4.543 4.320 0.087 0.000 0.258 312 K C -2.148 174.479 176.600 0.044 0.000 1.008 312 K CA -1.653 54.665 56.287 0.051 0.000 0.928 312 K CB 0.117 32.649 32.500 0.053 0.000 0.983 312 K HN -0.162 nan 8.250 nan 0.000 0.484 313 P HA 0.009 nan 4.420 nan 0.000 0.274 313 P C 0.741 178.013 177.300 -0.046 0.000 1.256 313 P CA -0.134 62.981 63.100 0.025 0.000 0.795 313 P CB 0.555 32.283 31.700 0.047 0.000 1.038 314 L N -0.992 120.147 121.223 -0.141 0.000 2.021 314 L HA -0.134 4.258 4.340 0.087 0.000 0.215 314 L C 1.445 178.186 176.870 -0.215 0.000 1.074 314 L CA 1.772 56.426 54.840 -0.310 0.000 0.760 314 L CB -0.453 41.219 42.059 -0.644 0.000 0.889 314 L HN 0.520 nan 8.230 nan 0.000 0.433 315 D N -1.713 118.634 120.400 -0.088 0.000 2.738 315 D HA 0.110 4.802 4.640 0.087 0.000 0.237 315 D C 0.635 177.013 176.300 0.131 0.000 1.123 315 D CA 0.269 54.312 54.000 0.072 0.000 0.856 315 D CB 2.043 42.969 40.800 0.210 0.000 1.552 315 D HN -0.025 nan 8.370 nan 0.000 0.480 316 S N 2.222 118.013 115.700 0.153 0.000 2.428 316 S HA -0.075 4.448 4.470 0.087 0.000 0.230 316 S C 1.061 175.741 174.600 0.134 0.000 1.014 316 S CA 0.801 59.077 58.200 0.127 0.000 0.957 316 S CB 0.029 63.298 63.200 0.115 0.000 0.784 316 S HN 0.605 nan 8.310 nan 0.000 0.499 317 E N -0.284 120.034 120.200 0.196 0.000 2.465 317 E HA 0.202 4.604 4.350 0.087 0.000 0.209 317 E C 0.366 176.952 176.600 -0.023 0.000 0.951 317 E CA -0.298 56.165 56.400 0.105 0.000 0.997 317 E CB 0.585 30.355 29.700 0.117 0.000 1.025 317 E HN 0.500 nan 8.360 nan 0.000 0.500 318 C N 2.627 122.020 119.300 0.154 0.000 2.611 318 C HA -0.039 4.474 4.460 0.087 0.000 0.416 318 C C 1.481 176.477 174.990 0.010 0.000 1.366 318 C CA -0.160 58.937 59.018 0.132 0.000 1.761 318 C CB -0.305 27.650 27.740 0.359 0.000 2.619 318 C HN 0.427 nan 8.230 nan 0.000 0.606 319 H N 3.946 123.150 119.070 0.224 0.000 2.539 319 H HA 0.100 4.706 4.556 0.084 0.000 0.267 319 H C 1.446 176.867 175.328 0.155 0.000 0.982 319 H CA 0.650 56.793 56.048 0.159 0.000 1.146 319 H CB -0.894 28.942 29.762 0.123 0.000 1.382 319 H HN 0.893 nan 8.280 nan 0.000 0.577 320 C N 0.061 119.520 119.300 0.266 0.000 2.649 320 C HA 0.547 5.059 4.460 0.087 0.000 0.377 320 C C 2.289 177.412 174.990 0.222 0.000 1.321 320 C CA -0.009 59.153 59.018 0.241 0.000 2.368 320 C CB 0.683 28.577 27.740 0.258 0.000 2.597 320 C HN 0.439 nan 8.230 nan 0.000 0.678 321 A N 1.678 124.624 122.820 0.209 0.000 1.972 321 A HA -0.000 4.372 4.320 0.087 0.000 0.219 321 A C 2.065 179.803 177.584 0.256 0.000 1.169 321 A CA 2.082 54.234 52.037 0.191 0.000 0.635 321 A CB -0.865 18.254 19.000 0.199 0.000 0.810 321 A HN 1.019 nan 8.150 nan 0.000 0.446 322 V N -1.075 119.054 119.914 0.358 0.000 2.307 322 V HA -0.286 3.886 4.120 0.087 0.000 0.245 322 V C 2.492 178.798 176.094 0.353 0.000 1.045 322 V CA 2.016 64.616 62.300 0.500 0.000 1.024 322 V CB -1.055 30.997 31.823 0.383 0.000 0.651 322 V HN 0.683 nan 8.190 nan 0.000 0.449 323 C N -0.084 119.365 119.300 0.248 0.000 2.456 323 C HA -0.011 4.501 4.460 0.087 0.000 0.279 323 C C 3.220 178.275 174.990 0.108 0.000 1.427 323 C CA 0.911 60.026 59.018 0.163 0.000 1.778 323 C CB -1.362 26.481 27.740 0.172 0.000 1.842 323 C HN 0.728 nan 8.230 nan 0.000 0.531 324 Q N 0.458 120.311 119.800 0.089 0.000 2.245 324 Q HA -0.058 4.334 4.340 0.087 0.000 0.201 324 Q C 1.847 177.785 176.000 -0.103 0.000 0.955 324 Q CA 1.524 57.334 55.803 0.012 0.000 0.870 324 Q CB -0.320 28.427 28.738 0.015 0.000 0.945 324 Q HN 0.801 nan 8.270 nan 0.000 0.461 325 K N -2.444 117.832 120.400 -0.207 0.000 2.424 325 K HA 0.184 4.556 4.320 0.087 0.000 0.198 325 K C -0.298 175.936 176.600 -0.610 0.000 1.190 325 K CA -0.223 55.699 56.287 -0.608 0.000 0.935 325 K CB 0.900 32.636 32.500 -1.272 0.000 1.087 325 K HN 0.483 nan 8.250 nan 0.000 0.524 326 W N 1.607 122.942 121.300 0.058 0.000 2.844 326 W HA 0.309 4.994 4.660 0.041 0.000 0.340 326 W C 0.049 176.616 176.519 0.080 0.000 1.093 326 W CA -0.997 56.398 57.345 0.084 0.000 1.212 326 W CB 1.453 31.031 29.460 0.197 0.000 1.422 326 W HN -0.107 nan 8.180 nan 0.000 0.515 327 S N 0.909 116.805 115.700 0.326 0.000 2.632 327 S HA 0.362 4.884 4.470 0.087 0.000 0.271 327 S C 1.068 175.784 174.600 0.192 0.000 1.260 327 S CA -0.472 57.852 58.200 0.206 0.000 1.010 327 S CB 1.957 65.258 63.200 0.168 0.000 0.965 327 S HN 0.499 nan 8.310 nan 0.000 0.534 328 R N 0.975 121.528 120.500 0.089 0.000 2.119 328 R HA -0.184 4.208 4.340 0.087 0.000 0.246 328 R C 2.548 178.920 176.300 0.120 0.000 1.146 328 R CA 1.761 57.874 56.100 0.022 0.000 0.962 328 R CB -1.105 29.179 30.300 -0.027 0.000 0.863 328 R HN 0.852 nan 8.270 nan 0.000 0.442 329 A N 0.127 123.045 122.820 0.164 0.000 1.902 329 A HA -0.222 4.150 4.320 0.087 0.000 0.217 329 A C 1.984 179.746 177.584 0.297 0.000 1.181 329 A CA 1.295 53.451 52.037 0.198 0.000 0.623 329 A CB -0.705 18.384 19.000 0.148 0.000 0.818 329 A HN 0.458 nan 8.150 nan 0.000 0.443 330 Y N 0.527 120.924 120.300 0.161 0.000 2.145 330 Y HA -0.147 4.450 4.550 0.078 0.000 0.286 330 Y C 1.980 177.968 175.900 0.146 0.000 1.145 330 Y CA 1.587 59.792 58.100 0.177 0.000 1.148 330 Y CB -0.308 38.267 38.460 0.192 0.000 0.981 330 Y HN 0.272 nan 8.280 nan 0.000 0.507 331 I N -0.682 119.897 120.570 0.016 0.000 2.315 331 I HA -0.301 3.922 4.170 0.087 0.000 0.248 331 I C 2.417 178.469 176.117 -0.108 0.000 1.117 331 I CA 1.658 62.863 61.300 -0.158 0.000 1.404 331 I CB -0.621 37.323 38.000 -0.093 0.000 1.071 331 I HN 0.295 nan 8.210 nan 0.000 0.419 332 H N 0.605 119.634 119.070 -0.069 0.000 2.319 332 H HA -0.328 4.280 4.556 0.086 0.000 0.297 332 H C 2.377 177.689 175.328 -0.028 0.000 1.097 332 H CA 2.565 58.600 56.048 -0.022 0.000 1.285 332 H CB -0.266 29.544 29.762 0.081 0.000 1.368 332 H HN 0.428 nan 8.280 nan 0.000 0.495 333 H N -0.137 118.895 119.070 -0.064 0.000 2.319 333 H HA -0.104 4.503 4.556 0.085 0.000 0.299 333 H C 2.260 177.448 175.328 -0.233 0.000 1.092 333 H CA 2.176 58.145 56.048 -0.131 0.000 1.302 333 H CB -0.465 29.295 29.762 -0.003 0.000 1.373 333 H HN 0.423 nan 8.280 nan 0.000 0.497 334 L N -0.180 120.715 121.223 -0.547 0.000 2.017 334 L HA -0.164 4.228 4.340 0.087 0.000 0.208 334 L C 2.386 179.002 176.870 -0.422 0.000 1.073 334 L CA 0.910 55.395 54.840 -0.591 0.000 0.745 334 L CB -0.362 41.360 42.059 -0.561 0.000 0.894 334 L HN 0.375 nan 8.230 nan 0.000 0.432 335 I N -0.482 119.887 120.570 -0.335 0.000 2.252 335 I HA -0.203 4.020 4.170 0.087 0.000 0.245 335 I C 2.719 178.680 176.117 -0.259 0.000 1.102 335 I CA 1.277 62.424 61.300 -0.255 0.000 1.385 335 I CB -1.072 36.806 38.000 -0.204 0.000 1.064 335 I HN 0.311 nan 8.210 nan 0.000 0.414 336 R N 0.904 121.210 120.500 -0.323 0.000 2.105 336 R HA -0.095 4.297 4.340 0.087 0.000 0.239 336 R C 2.034 178.193 176.300 -0.234 0.000 1.135 336 R CA 1.493 57.424 56.100 -0.281 0.000 0.967 336 R CB -0.394 29.698 30.300 -0.347 0.000 0.861 336 R HN 0.342 nan 8.270 nan 0.000 0.442 337 A N -0.084 122.546 122.820 -0.317 0.000 2.208 337 A HA 0.188 4.560 4.320 0.087 0.000 0.209 337 A C 1.313 178.778 177.584 -0.198 0.000 1.161 337 A CA 0.810 52.686 52.037 -0.267 0.000 0.782 337 A CB -0.070 18.679 19.000 -0.418 0.000 0.816 337 A HN 0.434 nan 8.150 nan 0.000 0.477 338 G N -0.160 108.524 108.800 -0.192 0.000 2.221 338 G HA2 -0.218 3.794 3.960 0.087 0.000 0.265 338 G HA3 -0.218 3.794 3.960 0.087 0.000 0.265 338 G C -0.227 174.587 174.900 -0.144 0.000 1.041 338 G CA 0.314 45.326 45.100 -0.146 0.000 0.807 338 G HN 0.506 nan 8.290 nan 0.000 0.502 339 E N -0.668 119.418 120.200 -0.189 0.000 2.313 339 E HA 0.337 4.740 4.350 0.087 0.000 0.276 339 E C 1.820 178.330 176.600 -0.149 0.000 1.031 339 E CA -0.630 55.670 56.400 -0.166 0.000 0.857 339 E CB 0.785 30.359 29.700 -0.210 0.000 1.040 339 E HN 0.295 nan 8.360 nan 0.000 0.408 340 I N 2.167 122.671 120.570 -0.109 0.000 2.264 340 I HA -0.307 3.916 4.170 0.087 0.000 0.248 340 I C 2.230 178.278 176.117 -0.116 0.000 1.111 340 I CA 0.741 61.984 61.300 -0.095 0.000 1.382 340 I CB -0.182 37.778 38.000 -0.066 0.000 1.060 340 I HN 0.415 nan 8.210 nan 0.000 0.418 341 L N 1.194 122.336 121.223 -0.136 0.000 2.127 341 L HA -0.107 4.285 4.340 0.087 0.000 0.211 341 L C 2.286 179.018 176.870 -0.229 0.000 1.089 341 L CA 2.039 56.774 54.840 -0.174 0.000 0.757 341 L CB -1.107 40.843 42.059 -0.181 0.000 0.899 341 L HN 0.186 nan 8.230 nan 0.000 0.434 342 G N -1.062 107.593 108.800 -0.242 0.000 2.421 342 G HA2 -0.267 3.745 3.960 0.087 0.000 0.216 342 G HA3 -0.267 3.745 3.960 0.087 0.000 0.216 342 G C 1.601 176.399 174.900 -0.170 0.000 1.171 342 G CA 0.786 45.738 45.100 -0.246 0.000 0.775 342 G HN 0.614 nan 8.290 nan 0.000 0.543 343 A N 0.490 123.229 122.820 -0.135 0.000 1.898 343 A HA 0.064 4.437 4.320 0.087 0.000 0.216 343 A C 2.472 180.011 177.584 -0.075 0.000 1.181 343 A CA 1.777 53.758 52.037 -0.093 0.000 0.620 343 A CB -0.358 18.596 19.000 -0.077 0.000 0.819 343 A HN 0.384 nan 8.150 nan 0.000 0.442 344 M N -0.538 119.011 119.600 -0.086 0.000 2.065 344 M HA -0.164 4.368 4.480 0.087 0.000 0.259 344 M C 2.119 178.385 176.300 -0.057 0.000 1.069 344 M CA 1.683 56.944 55.300 -0.067 0.000 1.110 344 M CB -0.547 32.004 32.600 -0.081 0.000 1.328 344 M HN 0.370 nan 8.290 nan 0.000 0.405 345 L N -0.867 120.289 121.223 -0.111 0.000 2.072 345 L HA -0.173 4.220 4.340 0.087 0.000 0.205 345 L C 2.682 179.557 176.870 0.008 0.000 1.079 345 L CA 0.709 55.500 54.840 -0.081 0.000 0.752 345 L CB -0.567 41.363 42.059 -0.215 0.000 0.906 345 L HN 0.387 nan 8.230 nan 0.000 0.436 346 M N -0.617 118.966 119.600 -0.027 0.000 2.117 346 M HA -0.146 4.387 4.480 0.087 0.000 0.262 346 M C 2.318 178.662 176.300 0.073 0.000 1.065 346 M CA 1.809 57.120 55.300 0.018 0.000 1.114 346 M CB -1.309 31.268 32.600 -0.038 0.000 1.361 346 M HN 0.233 nan 8.290 nan 0.000 0.408 347 T N -0.155 114.418 114.554 0.032 0.000 2.857 347 T HA -0.147 4.255 4.350 0.087 0.000 0.266 347 T C 1.756 176.491 174.700 0.058 0.000 1.048 347 T CA 1.432 63.553 62.100 0.035 0.000 1.139 347 T CB -0.148 68.722 68.868 0.003 0.000 0.874 347 T HN 0.470 nan 8.240 nan 0.000 0.455 348 E N 0.329 120.574 120.200 0.076 0.000 2.051 348 E HA -0.252 4.150 4.350 0.087 0.000 0.192 348 E C 2.083 178.764 176.600 0.134 0.000 0.991 348 E CA 1.348 57.809 56.400 0.103 0.000 0.799 348 E CB -0.118 29.655 29.700 0.122 0.000 0.748 348 E HN 0.680 nan 8.360 nan 0.000 0.449 349 H N 0.476 119.607 119.070 0.101 0.000 2.321 349 H HA -0.071 4.534 4.556 0.082 0.000 0.300 349 H C 1.880 177.306 175.328 0.163 0.000 1.087 349 H CA 2.313 58.439 56.048 0.129 0.000 1.319 349 H CB -0.110 29.708 29.762 0.093 0.000 1.379 349 H HN 0.123 nan 8.280 nan 0.000 0.501 350 N N 0.317 119.015 118.700 -0.003 0.000 2.120 350 N HA -0.112 4.680 4.740 0.087 0.000 0.188 350 N C 1.880 177.403 175.510 0.022 0.000 1.024 350 N CA 1.226 54.301 53.050 0.040 0.000 0.852 350 N CB -0.119 38.484 38.487 0.194 0.000 1.003 350 N HN 0.383 nan 8.380 nan 0.000 0.424 351 I N 1.066 121.636 120.570 0.000 0.000 2.315 351 I HA -0.097 4.125 4.170 0.087 0.000 0.248 351 I C 2.183 178.338 176.117 0.062 0.000 1.117 351 I CA 0.510 61.817 61.300 0.012 0.000 1.404 351 I CB -1.348 36.674 38.000 0.037 0.000 1.071 351 I HN -0.002 nan 8.210 nan 0.000 0.419 352 A N 0.629 123.476 122.820 0.045 0.000 1.902 352 A HA -0.263 4.109 4.320 0.087 0.000 0.217 352 A C 2.307 179.906 177.584 0.025 0.000 1.181 352 A CA 1.339 53.411 52.037 0.058 0.000 0.623 352 A CB -1.063 17.987 19.000 0.084 0.000 0.818 352 A HN 0.377 nan 8.150 nan 0.000 0.443 353 F N -0.770 119.054 119.950 -0.210 0.000 2.069 353 F HA -0.227 4.349 4.527 0.083 0.000 0.298 353 F C 2.140 177.824 175.800 -0.192 0.000 1.113 353 F CA 1.992 59.837 58.000 -0.258 0.000 1.214 353 F CB -0.428 38.328 39.000 -0.405 0.000 0.978 353 F HN 0.293 nan 8.300 nan 0.000 0.474 354 Y N 0.819 120.985 120.300 -0.224 0.000 2.165 354 Y HA -0.270 4.333 4.550 0.087 0.000 0.286 354 Y C 2.632 178.363 175.900 -0.283 0.000 1.155 354 Y CA 1.868 59.721 58.100 -0.412 0.000 1.164 354 Y CB -0.819 37.227 38.460 -0.690 0.000 0.978 354 Y HN 0.159 nan 8.280 nan 0.000 0.513 355 Q N -0.023 119.789 119.800 0.020 0.000 2.119 355 Q HA -0.199 4.193 4.340 0.087 0.000 0.201 355 Q C 2.145 178.142 176.000 -0.006 0.000 0.972 355 Q CA 1.378 57.213 55.803 0.052 0.000 0.847 355 Q CB -0.460 28.340 28.738 0.104 0.000 0.903 355 Q HN 0.628 nan 8.270 nan 0.000 0.433 356 Q N 0.191 119.968 119.800 -0.039 0.000 2.124 356 Q HA -0.142 4.250 4.340 0.087 0.000 0.202 356 Q C 2.136 178.129 176.000 -0.011 0.000 0.977 356 Q CA 0.900 56.711 55.803 0.013 0.000 0.850 356 Q CB -0.160 28.634 28.738 0.092 0.000 0.901 356 Q HN 0.195 nan 8.270 nan 0.000 0.429 357 L N 0.183 121.296 121.223 -0.183 0.000 2.012 357 L HA -0.216 4.177 4.340 0.087 0.000 0.210 357 L C 2.018 178.797 176.870 -0.152 0.000 1.073 357 L CA 1.745 56.502 54.840 -0.138 0.000 0.748 357 L CB -0.351 41.421 42.059 -0.478 0.000 0.891 357 L HN 0.226 nan 8.230 nan 0.000 0.431 358 M N -1.020 118.494 119.600 -0.143 0.000 2.159 358 M HA -0.196 4.336 4.480 0.087 0.000 0.263 358 M C 2.334 178.575 176.300 -0.098 0.000 1.063 358 M CA 1.597 56.845 55.300 -0.087 0.000 1.110 358 M CB -1.487 31.124 32.600 0.018 0.000 1.374 358 M HN 0.414 nan 8.290 nan 0.000 0.411 359 Q N 0.917 120.670 119.800 -0.077 0.000 2.079 359 Q HA -0.098 4.294 4.340 0.087 0.000 0.200 359 Q C 1.869 177.768 176.000 -0.169 0.000 0.974 359 Q CA 1.747 57.500 55.803 -0.083 0.000 0.840 359 Q CB -0.058 28.661 28.738 -0.032 0.000 0.898 359 Q HN 0.483 nan 8.270 nan 0.000 0.430 360 K N -0.342 119.917 120.400 -0.235 0.000 2.097 360 K HA -0.067 4.305 4.320 0.087 0.000 0.205 360 K C 2.054 178.251 176.600 -0.672 0.000 1.050 360 K CA 1.336 57.343 56.287 -0.466 0.000 0.938 360 K CB -0.125 32.023 32.500 -0.586 0.000 0.718 360 K HN 0.263 nan 8.250 nan 0.000 0.442 361 I N 0.879 121.136 120.570 -0.522 0.000 2.202 361 I HA -0.270 3.952 4.170 0.087 0.000 0.242 361 I C 2.424 178.320 176.117 -0.368 0.000 1.091 361 I CA 1.219 62.259 61.300 -0.433 0.000 1.368 361 I CB -0.201 37.640 38.000 -0.265 0.000 1.058 361 I HN 0.137 nan 8.210 nan 0.000 0.410 362 R N 0.632 120.979 120.500 -0.255 0.000 2.083 362 R HA -0.191 4.202 4.340 0.087 0.000 0.237 362 R C 1.893 178.093 176.300 -0.168 0.000 1.137 362 R CA 1.795 57.784 56.100 -0.185 0.000 0.951 362 R CB -0.456 29.776 30.300 -0.112 0.000 0.851 362 R HN 0.374 nan 8.270 nan 0.000 0.434 363 D N -0.035 120.262 120.400 -0.171 0.000 2.144 363 D HA -0.105 4.587 4.640 0.087 0.000 0.200 363 D C 2.072 178.303 176.300 -0.115 0.000 0.978 363 D CA 1.667 55.590 54.000 -0.128 0.000 0.833 363 D CB -0.176 40.550 40.800 -0.124 0.000 0.961 363 D HN 0.221 nan 8.370 nan 0.000 0.470 364 S N 0.331 115.938 115.700 -0.155 0.000 2.371 364 S HA -0.084 4.438 4.470 0.087 0.000 0.224 364 S C 2.250 176.861 174.600 0.019 0.000 1.029 364 S CA 0.448 58.621 58.200 -0.044 0.000 0.978 364 S CB -0.604 62.586 63.200 -0.018 0.000 0.833 364 S HN 0.219 nan 8.310 nan 0.000 0.466 365 I N 2.114 122.638 120.570 -0.077 0.000 2.226 365 I HA -0.143 4.079 4.170 0.087 0.000 0.245 365 I C 2.652 178.746 176.117 -0.038 0.000 1.100 365 I CA 1.319 62.581 61.300 -0.065 0.000 1.374 365 I CB -0.589 37.279 38.000 -0.219 0.000 1.057 365 I HN 0.298 nan 8.210 nan 0.000 0.413 366 S N 0.109 115.772 115.700 -0.062 0.000 2.419 366 S HA -0.168 4.355 4.470 0.087 0.000 0.233 366 S C 1.554 176.140 174.600 -0.024 0.000 1.016 366 S CA 1.199 59.371 58.200 -0.047 0.000 0.974 366 S CB -0.284 62.882 63.200 -0.056 0.000 0.786 366 S HN 0.502 nan 8.310 nan 0.000 0.492 367 E N -0.033 120.160 120.200 -0.013 0.000 2.476 367 E HA 0.270 4.672 4.350 0.087 0.000 0.196 367 E C 0.919 177.533 176.600 0.024 0.000 1.029 367 E CA 0.044 56.446 56.400 0.002 0.000 0.896 367 E CB 0.344 30.043 29.700 -0.001 0.000 1.012 367 E HN 0.451 nan 8.360 nan 0.000 0.475 368 G N 3.051 111.873 108.800 0.037 0.000 2.249 368 G HA2 -0.345 3.667 3.960 0.087 0.000 0.273 368 G HA3 -0.345 3.667 3.960 0.087 0.000 0.273 368 G C 0.529 175.477 174.900 0.081 0.000 1.036 368 G CA 0.819 45.954 45.100 0.058 0.000 0.824 368 G HN 0.430 nan 8.290 nan 0.000 0.504 369 R N -1.705 118.861 120.500 0.111 0.000 2.615 369 R HA 0.443 4.835 4.340 0.087 0.000 0.448 369 R C 1.238 177.663 176.300 0.208 0.000 1.009 369 R CA -0.210 55.964 56.100 0.123 0.000 1.111 369 R CB -0.211 30.144 30.300 0.092 0.000 1.461 369 R HN 0.236 nan 8.270 nan 0.000 0.587 370 F N 2.319 122.311 119.950 0.070 0.000 2.186 370 F HA -0.084 4.495 4.527 0.087 0.000 0.299 370 F C 2.337 178.230 175.800 0.156 0.000 1.090 370 F CA 1.655 59.728 58.000 0.122 0.000 1.307 370 F CB -0.001 39.040 39.000 0.068 0.000 1.019 370 F HN 0.194 nan 8.300 nan 0.000 0.489 371 S N -0.330 115.325 115.700 -0.076 0.000 2.382 371 S HA -0.268 4.254 4.470 0.087 0.000 0.228 371 S C 2.091 176.615 174.600 -0.127 0.000 1.027 371 S CA 1.397 59.474 58.200 -0.206 0.000 0.991 371 S CB -0.673 62.480 63.200 -0.078 0.000 0.823 371 S HN 0.521 nan 8.310 nan 0.000 0.469 372 Q N 0.584 120.374 119.800 -0.018 0.000 2.050 372 Q HA -0.048 4.344 4.340 0.087 0.000 0.202 372 Q C 1.779 177.792 176.000 0.021 0.000 0.980 372 Q CA 2.015 57.824 55.803 0.009 0.000 0.840 372 Q CB -0.996 27.771 28.738 0.048 0.000 0.898 372 Q HN 0.675 nan 8.270 nan 0.000 0.424 373 F N 0.317 120.244 119.950 -0.037 0.000 2.091 373 F HA -0.210 4.369 4.527 0.087 0.000 0.299 373 F C 1.890 177.686 175.800 -0.006 0.000 1.103 373 F CA 1.856 59.857 58.000 0.003 0.000 1.228 373 F CB -0.774 38.275 39.000 0.081 0.000 0.984 373 F HN 0.131 nan 8.300 nan 0.000 0.477 374 A N 0.132 122.770 122.820 -0.304 0.000 1.883 374 A HA -0.222 4.151 4.320 0.087 0.000 0.217 374 A C 2.267 179.756 177.584 -0.158 0.000 1.186 374 A CA 2.804 54.647 52.037 -0.323 0.000 0.624 374 A CB -1.679 17.043 19.000 -0.462 0.000 0.822 374 A HN 0.564 nan 8.150 nan 0.000 0.444 375 Q N -0.278 119.442 119.800 -0.134 0.000 2.050 375 Q HA -0.262 4.131 4.340 0.087 0.000 0.202 375 Q C 1.760 177.724 176.000 -0.060 0.000 0.980 375 Q CA 2.054 57.820 55.803 -0.063 0.000 0.840 375 Q CB -1.029 27.679 28.738 -0.050 0.000 0.898 375 Q HN 0.739 nan 8.270 nan 0.000 0.424 376 D N -0.654 119.684 120.400 -0.103 0.000 2.117 376 D HA -0.081 4.611 4.640 0.087 0.000 0.197 376 D C 1.604 177.829 176.300 -0.125 0.000 0.987 376 D CA 1.295 55.237 54.000 -0.097 0.000 0.829 376 D CB -0.538 40.210 40.800 -0.087 0.000 0.961 376 D HN 0.575 nan 8.370 nan 0.000 0.460 377 F N 1.939 121.653 119.950 -0.395 0.000 2.095 377 F HA -0.182 4.397 4.527 0.086 0.000 0.298 377 F C 2.312 178.089 175.800 -0.039 0.000 1.104 377 F CA 1.566 59.375 58.000 -0.317 0.000 1.232 377 F CB -0.045 38.569 39.000 -0.643 0.000 0.987 377 F HN -0.212 nan 8.300 nan 0.000 0.475 378 R N 0.217 120.662 120.500 -0.092 0.000 2.075 378 R HA -0.093 4.299 4.340 0.087 0.000 0.232 378 R C 2.532 178.907 176.300 0.125 0.000 1.126 378 R CA 1.156 57.306 56.100 0.082 0.000 0.963 378 R CB -0.902 29.556 30.300 0.263 0.000 0.858 378 R HN 0.436 nan 8.270 nan 0.000 0.435 379 A N 1.176 124.021 122.820 0.041 0.000 1.917 379 A HA -0.239 4.134 4.320 0.087 0.000 0.219 379 A C 2.132 179.726 177.584 0.015 0.000 1.182 379 A CA 1.714 53.778 52.037 0.044 0.000 0.633 379 A CB -0.465 18.541 19.000 0.011 0.000 0.819 379 A HN 0.268 nan 8.150 nan 0.000 0.448 380 R N -2.672 117.797 120.500 -0.052 0.000 2.100 380 R HA -0.070 4.323 4.340 0.087 0.000 0.220 380 R C 2.055 178.290 176.300 -0.109 0.000 1.091 380 R CA 1.237 57.307 56.100 -0.050 0.000 0.986 380 R CB -0.416 29.871 30.300 -0.021 0.000 0.888 380 R HN 0.558 nan 8.270 nan 0.000 0.444 381 Y N -0.180 119.856 120.300 -0.440 0.000 2.293 381 Y HA -0.126 4.476 4.550 0.086 0.000 0.291 381 Y C 0.703 176.208 175.900 -0.659 0.000 1.137 381 Y CA 1.581 59.280 58.100 -0.668 0.000 1.202 381 Y CB 0.146 37.845 38.460 -1.268 0.000 0.990 381 Y HN 0.023 nan 8.280 nan 0.000 0.537 382 F N -0.295 119.629 119.950 -0.043 0.000 2.641 382 F HA 0.423 5.003 4.527 0.089 0.000 0.302 382 F C 1.324 177.092 175.800 -0.052 0.000 1.098 382 F CA -0.174 57.801 58.000 -0.041 0.000 1.318 382 F CB -0.893 38.115 39.000 0.014 0.000 1.035 382 F HN -0.008 nan 8.300 nan 0.000 0.551 383 A N 0.000 122.846 122.820 0.044 0.000 2.254 383 A HA 0.000 4.372 4.320 0.087 0.000 0.244 383 A CA 0.000 52.051 52.037 0.023 0.000 0.836 383 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 383 A HN 0.000 nan 8.150 nan 0.000 0.486