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 1cce_1_A DATA FIRST_RESID 4 DATA SEQUENCE LVHVASVEKG RSYEDFQKVY NAIALKLRED DEYDNYIGYG PVLVRLAWHI DATA SEQUENCE SGTWDKHDNT GGSYGGTYRF KKEFNDPSNA GLQNGFKFLE PIHKEFPWIS DATA SEQUENCE SGDLFSLGGV TAVQEMQGPK IPWRCGRVDT PEDTTPDNGR LPDADKDAGY DATA SEQUENCE VRTFFQRLNM NDREVVALMG AGALGKTHLK NSGYEGPWGA ANNVFTNEFY DATA SEQUENCE LNLLNEDWKL EKNDANNEQW DSKSGYMMLP TDYSLIQDPK YLSIVKEYAN DATA SEQUENCE DQDKFFKDFS KAFEKLLENG ITFPKDAPSP FIFKTLEEQG L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.660 176.870 -0.350 0.000 1.165 4 L CA 0.000 54.693 54.840 -0.245 0.000 0.813 4 L CB 0.000 41.852 42.059 -0.346 0.000 0.961 5 V N 1.480 121.179 119.914 -0.359 0.000 2.513 5 V HA 0.303 nan 4.120 nan 0.000 0.299 5 V C -1.070 174.742 176.094 -0.469 0.000 1.035 5 V CA -1.060 61.033 62.300 -0.345 0.000 0.889 5 V CB 1.684 33.398 31.823 -0.181 0.000 0.988 5 V HN 0.069 8.094 8.190 -0.275 0.000 0.440 6 H N 5.786 124.654 119.070 -0.337 0.000 2.792 6 H HA 0.293 nan 4.556 nan 0.000 0.298 6 H C -1.382 173.606 175.328 -0.566 0.000 1.042 6 H CA -1.099 54.557 56.048 -0.653 0.000 1.300 6 H CB 0.929 29.924 29.762 -1.278 0.000 1.431 6 H HN 0.474 8.537 8.280 -0.363 0.000 0.496 7 V N 4.097 123.908 119.914 -0.170 0.000 2.567 7 V HA 0.358 nan 4.120 nan 0.000 0.289 7 V C -0.791 175.320 176.094 0.030 0.000 1.049 7 V CA -0.970 61.266 62.300 -0.107 0.000 0.969 7 V CB 1.172 32.971 31.823 -0.040 0.000 0.995 7 V HN 0.624 8.767 8.190 -0.079 0.000 0.471 8 A N 6.584 129.365 122.820 -0.066 0.000 2.451 8 A HA 0.165 nan 4.320 nan 0.000 0.266 8 A C -1.368 176.272 177.584 0.095 0.000 1.119 8 A CA -0.015 52.042 52.037 0.032 0.000 0.786 8 A CB 0.076 19.036 19.000 -0.068 0.000 1.061 8 A HN 0.720 8.753 8.150 -0.196 0.000 0.503 9 S N 4.616 120.386 115.700 0.116 0.000 2.520 9 S HA 0.089 nan 4.470 nan 0.000 0.324 9 S C -0.692 173.974 174.600 0.110 0.000 1.069 9 S CA -1.325 56.935 58.200 0.100 0.000 1.121 9 S CB 0.824 64.084 63.200 0.099 0.000 0.971 9 S HN 0.052 8.381 8.310 0.133 0.061 0.463 10 V N 6.346 126.332 119.914 0.119 0.000 2.584 10 V HA -0.170 nan 4.120 nan 0.000 0.303 10 V C 0.261 176.473 176.094 0.197 0.000 1.035 10 V CA 0.503 62.907 62.300 0.173 0.000 1.172 10 V CB 0.192 32.119 31.823 0.173 0.000 0.896 10 V HN 0.241 8.492 8.190 0.102 0.000 0.486 11 E N 6.321 126.693 120.200 0.287 0.000 2.493 11 E HA -0.173 nan 4.350 nan 0.000 0.255 11 E C -0.281 176.404 176.600 0.141 0.000 0.999 11 E CA 0.530 57.085 56.400 0.258 0.000 0.934 11 E CB 0.280 30.237 29.700 0.428 0.000 0.940 11 E HN 0.253 8.842 8.360 0.381 0.000 0.473 12 K N 6.697 127.152 120.400 0.091 0.000 2.430 12 K HA -0.318 nan 4.320 nan 0.000 0.280 12 K C 0.528 177.110 176.600 -0.031 0.000 1.063 12 K CA 1.462 57.773 56.287 0.039 0.000 1.071 12 K CB -0.155 32.369 32.500 0.040 0.000 0.899 12 K HN 0.532 8.849 8.250 0.110 0.000 0.473 13 G N 4.061 112.844 108.800 -0.028 0.000 2.232 13 G HA2 -0.263 nan 3.960 nan 0.000 0.226 13 G HA3 -0.263 nan 3.960 nan 0.000 0.226 13 G C -0.112 174.712 174.900 -0.126 0.000 0.996 13 G CA -0.253 44.801 45.100 -0.077 0.000 0.626 13 G HN 0.257 8.556 8.290 0.015 0.000 0.509 14 R N 1.240 121.647 120.500 -0.156 0.000 2.441 14 R HA 0.217 nan 4.340 nan 0.000 0.284 14 R C -0.628 175.696 176.300 0.040 0.000 1.070 14 R CA -2.029 53.920 56.100 -0.252 0.000 1.047 14 R CB -0.009 29.956 30.300 -0.559 0.000 1.016 14 R HN -0.256 7.896 8.270 -0.092 0.063 0.477 15 S N 3.877 119.582 115.700 0.008 0.000 2.801 15 S HA 0.341 nan 4.470 nan 0.000 0.312 15 S C 0.293 175.015 174.600 0.204 0.000 1.112 15 S CA -1.386 56.931 58.200 0.195 0.000 0.943 15 S CB 1.835 65.100 63.200 0.108 0.000 1.269 15 S HN 0.084 8.624 8.310 -0.153 -0.323 0.558 16 Y N 2.084 122.329 120.300 -0.091 0.000 2.114 16 Y HA -0.430 nan 4.550 nan 0.000 0.282 16 Y C 1.129 176.977 175.900 -0.086 0.000 1.165 16 Y CA 3.913 61.749 58.100 -0.439 0.000 1.148 16 Y CB 0.093 38.288 38.460 -0.441 0.000 0.972 16 Y HN 0.428 8.840 8.280 0.220 0.000 0.504 17 E N -3.123 116.909 120.200 -0.279 0.000 2.153 17 E HA -0.378 nan 4.350 nan 0.000 0.194 17 E C 2.426 178.896 176.600 -0.216 0.000 0.988 17 E CA 3.196 59.420 56.400 -0.293 0.000 0.811 17 E CB -0.819 28.811 29.700 -0.117 0.000 0.746 17 E HN -0.026 8.309 8.360 -0.043 0.000 0.466 18 D N -0.235 120.043 120.400 -0.205 0.000 2.117 18 D HA -0.233 nan 4.640 nan 0.000 0.197 18 D C 2.380 178.592 176.300 -0.147 0.000 0.987 18 D CA 3.365 57.232 54.000 -0.222 0.000 0.829 18 D CB -0.115 40.344 40.800 -0.568 0.000 0.961 18 D HN -0.533 7.633 8.370 -0.189 0.091 0.460 19 F N -0.608 119.391 119.950 0.081 0.000 2.163 19 F HA -0.229 nan 4.527 nan 0.000 0.297 19 F C 1.953 177.530 175.800 -0.370 0.000 1.094 19 F CA 3.198 61.224 58.000 0.043 0.000 1.290 19 F CB -0.335 38.903 39.000 0.395 0.000 1.017 19 F HN -0.761 7.485 8.300 -0.090 0.000 0.483 20 Q N -0.777 118.879 119.800 -0.239 0.000 2.197 20 Q HA -0.415 nan 4.340 nan 0.000 0.207 20 Q C 2.033 177.870 176.000 -0.272 0.000 0.984 20 Q CA 3.312 58.872 55.803 -0.405 0.000 0.869 20 Q CB -0.642 27.832 28.738 -0.440 0.000 0.906 20 Q HN 0.007 8.170 8.270 -0.179 0.000 0.426 21 K N -1.057 119.215 120.400 -0.214 0.000 2.103 21 K HA -0.242 nan 4.320 nan 0.000 0.204 21 K C 2.263 178.602 176.600 -0.435 0.000 1.052 21 K CA 3.415 59.613 56.287 -0.149 0.000 0.945 21 K CB -0.290 32.257 32.500 0.079 0.000 0.722 21 K HN -0.581 7.541 8.250 -0.193 0.012 0.443 22 V N 0.577 120.053 119.914 -0.730 0.000 2.427 22 V HA -0.293 nan 4.120 nan 0.000 0.248 22 V C 1.745 177.509 176.094 -0.550 0.000 1.051 22 V CA 3.788 65.481 62.300 -1.012 0.000 1.048 22 V CB -1.115 30.190 31.823 -0.864 0.000 0.666 22 V HN -0.758 7.024 8.190 -0.530 0.089 0.456 23 Y N 0.115 120.046 120.300 -0.615 0.000 2.070 23 Y HA -0.605 nan 4.550 nan 0.000 0.279 23 Y C 1.404 177.106 175.900 -0.330 0.000 1.134 23 Y CA 3.925 61.700 58.100 -0.543 0.000 1.113 23 Y CB -0.017 37.979 38.460 -0.773 0.000 0.981 23 Y HN 0.273 8.284 8.280 -0.449 0.000 0.487 24 N N -1.021 117.716 118.700 0.061 0.000 2.069 24 N HA -0.615 nan 4.740 nan 0.000 0.196 24 N C 2.093 177.559 175.510 -0.073 0.000 1.024 24 N CA 3.178 56.240 53.050 0.019 0.000 0.869 24 N CB -0.177 38.324 38.487 0.024 0.000 1.035 24 N HN 0.078 8.515 8.380 0.095 0.000 0.434 25 A N -0.047 122.708 122.820 -0.108 0.000 1.877 25 A HA -0.264 nan 4.320 nan 0.000 0.216 25 A C 2.017 179.514 177.584 -0.144 0.000 1.186 25 A CA 3.006 54.998 52.037 -0.075 0.000 0.620 25 A CB -0.561 18.451 19.000 0.020 0.000 0.822 25 A HN -0.219 7.837 8.150 -0.156 0.000 0.443 26 I N -1.223 119.219 120.570 -0.213 0.000 2.163 26 I HA -0.612 nan 4.170 nan 0.000 0.243 26 I C 1.883 177.932 176.117 -0.114 0.000 1.085 26 I CA 4.162 65.368 61.300 -0.156 0.000 1.347 26 I CB -0.223 37.654 38.000 -0.206 0.000 1.044 26 I HN -0.189 7.857 8.210 -0.273 0.000 0.408 27 A N -0.515 122.159 122.820 -0.243 0.000 1.933 27 A HA -0.245 nan 4.320 nan 0.000 0.218 27 A C 2.069 179.611 177.584 -0.070 0.000 1.175 27 A CA 3.245 55.163 52.037 -0.198 0.000 0.628 27 A CB -0.641 18.188 19.000 -0.286 0.000 0.814 27 A HN 0.157 8.096 8.150 -0.351 0.000 0.444 28 L N -2.204 118.982 121.223 -0.061 0.000 2.179 28 L HA -0.203 nan 4.340 nan 0.000 0.208 28 L C 1.839 178.692 176.870 -0.028 0.000 1.096 28 L CA 1.997 56.819 54.840 -0.030 0.000 0.779 28 L CB -0.763 41.279 42.059 -0.029 0.000 0.922 28 L HN -0.045 8.134 8.230 -0.086 0.000 0.443 29 K N 0.169 120.531 120.400 -0.062 0.000 2.217 29 K HA -0.229 nan 4.320 nan 0.000 0.202 29 K C 2.491 179.163 176.600 0.120 0.000 1.051 29 K CA 3.172 59.402 56.287 -0.096 0.000 0.952 29 K CB -0.217 32.041 32.500 -0.404 0.000 0.736 29 K HN -0.431 7.766 8.250 -0.089 0.000 0.453 30 L N -1.212 120.141 121.223 0.217 0.000 2.017 30 L HA -0.360 nan 4.340 nan 0.000 0.208 30 L C 1.722 178.673 176.870 0.134 0.000 1.073 30 L CA 3.017 57.987 54.840 0.217 0.000 0.745 30 L CB -0.334 41.775 42.059 0.083 0.000 0.894 30 L HN -0.038 8.190 8.230 0.143 0.087 0.432 31 R N -2.442 118.104 120.500 0.077 0.000 2.105 31 R HA -0.310 nan 4.340 nan 0.000 0.239 31 R C 2.227 178.565 176.300 0.063 0.000 1.135 31 R CA 2.603 58.739 56.100 0.060 0.000 0.967 31 R CB 0.054 30.377 30.300 0.039 0.000 0.861 31 R HN -0.799 7.505 8.270 0.056 0.000 0.442 32 E N -1.692 118.543 120.200 0.058 0.000 2.072 32 E HA -0.164 nan 4.350 nan 0.000 0.190 32 E C 1.958 178.602 176.600 0.074 0.000 0.982 32 E CA 2.308 58.736 56.400 0.047 0.000 0.803 32 E CB 0.259 29.966 29.700 0.012 0.000 0.755 32 E HN -0.594 7.797 8.360 0.051 0.000 0.453 33 D N 0.510 120.994 120.400 0.139 0.000 3.060 33 D HA 0.216 nan 4.640 nan 0.000 0.245 33 D C -0.271 176.139 176.300 0.183 0.000 1.274 33 D CA -0.691 53.434 54.000 0.207 0.000 0.864 33 D CB -1.516 39.508 40.800 0.372 0.000 1.073 33 D HN -0.255 8.214 8.370 0.164 0.000 0.473 34 D N -1.745 118.689 120.400 0.056 0.000 2.371 34 D HA -0.244 nan 4.640 nan 0.000 0.221 34 D C 0.148 176.260 176.300 -0.313 0.000 0.986 34 D CA 2.001 55.982 54.000 -0.032 0.000 0.899 34 D CB -0.410 40.398 40.800 0.013 0.000 0.902 34 D HN -0.461 7.847 8.370 0.053 0.094 0.530 35 E N -2.124 117.797 120.200 -0.465 0.000 2.299 35 E HA -0.281 nan 4.350 nan 0.000 0.193 35 E C 0.343 176.639 176.600 -0.507 0.000 0.998 35 E CA 0.074 55.848 56.400 -1.043 0.000 0.851 35 E CB -0.963 28.348 29.700 -0.648 0.000 0.795 35 E HN 0.014 8.181 8.360 -0.225 0.058 0.492 36 Y N 4.243 124.347 120.300 -0.326 0.000 2.904 36 Y HA -0.392 nan 4.550 nan 0.000 0.336 36 Y C -1.091 174.655 175.900 -0.256 0.000 1.263 36 Y CA 2.035 59.944 58.100 -0.320 0.000 1.547 36 Y CB 0.309 38.364 38.460 -0.675 0.000 1.272 36 Y HN -0.846 7.384 8.280 -0.027 0.034 0.596 37 D N 6.410 126.282 120.400 -0.880 0.000 2.737 37 D HA -0.477 nan 4.640 nan 0.000 0.238 37 D C -0.836 175.357 176.300 -0.179 0.000 1.157 37 D CA 1.195 54.846 54.000 -0.582 0.000 0.694 37 D CB -0.949 39.458 40.800 -0.654 0.000 1.021 37 D HN 0.471 8.230 8.370 -1.019 0.000 0.420 38 N N -3.102 115.573 118.700 -0.040 0.000 2.727 38 N HA -0.427 nan 4.740 nan 0.000 0.249 38 N C -0.928 174.762 175.510 0.301 0.000 1.048 38 N CA 1.363 54.514 53.050 0.168 0.000 0.714 38 N CB -0.936 37.599 38.487 0.081 0.000 0.959 38 N HN 0.428 8.763 8.380 -0.076 0.000 0.544 39 Y N -9.862 110.422 120.300 -0.027 0.000 4.032 39 Y HA -0.437 nan 4.550 nan 0.000 0.230 39 Y C -0.077 175.833 175.900 0.017 0.000 1.202 39 Y CA 1.052 59.158 58.100 0.010 0.000 1.878 39 Y CB -2.606 35.865 38.460 0.018 0.000 1.586 39 Y HN -0.235 8.012 8.280 -0.009 0.027 0.673 40 I N -2.540 118.058 120.570 0.047 0.000 2.584 40 I HA -0.210 nan 4.170 nan 0.000 0.255 40 I C 0.584 176.729 176.117 0.047 0.000 1.145 40 I CA 1.614 62.943 61.300 0.049 0.000 1.462 40 I CB 0.671 38.692 38.000 0.035 0.000 1.102 40 I HN -0.611 7.442 8.210 -0.002 0.156 0.433 41 G N -2.248 106.569 108.800 0.029 0.000 2.760 41 G HA2 -0.284 nan 3.960 nan 0.000 0.246 41 G HA3 -0.284 nan 3.960 nan 0.000 0.246 41 G C -0.611 174.317 174.900 0.046 0.000 1.359 41 G CA -0.463 44.671 45.100 0.056 0.000 0.861 41 G HN -0.370 7.907 8.290 -0.022 0.000 0.541 42 Y N -0.124 120.127 120.300 -0.083 0.000 2.511 42 Y HA -0.081 nan 4.550 nan 0.000 0.279 42 Y C 1.418 177.136 175.900 -0.304 0.000 1.157 42 Y CA 1.507 59.394 58.100 -0.355 0.000 1.300 42 Y CB -0.226 37.689 38.460 -0.907 0.000 1.052 42 Y HN 0.437 8.841 8.280 0.206 0.000 0.529 43 G N 0.682 109.455 108.800 -0.045 0.000 2.553 43 G HA2 -0.358 nan 3.960 nan 0.000 0.218 43 G HA3 -0.358 nan 3.960 nan 0.000 0.218 43 G C -1.239 173.650 174.900 -0.019 0.000 1.195 43 G CA 2.551 47.622 45.100 -0.048 0.000 0.779 43 G HN 0.621 8.909 8.290 -0.004 0.000 0.577 44 P HA -0.230 nan 4.420 nan 0.000 0.215 44 P C 0.958 178.285 177.300 0.045 0.000 1.157 44 P CA 2.719 65.840 63.100 0.036 0.000 0.874 44 P CB -0.600 31.141 31.700 0.068 0.000 0.790 45 V N -3.550 116.394 119.914 0.050 0.000 2.594 45 V HA -0.277 nan 4.120 nan 0.000 0.253 45 V C 1.607 177.690 176.094 -0.020 0.000 1.069 45 V CA 2.822 65.142 62.300 0.034 0.000 1.082 45 V CB -0.573 31.281 31.823 0.051 0.000 0.680 45 V HN -0.181 8.045 8.190 0.059 0.000 0.469 46 L N -1.766 119.427 121.223 -0.049 0.000 2.179 46 L HA -0.204 nan 4.340 nan 0.000 0.208 46 L C 1.940 178.835 176.870 0.042 0.000 1.096 46 L CA 2.996 57.804 54.840 -0.054 0.000 0.779 46 L CB -0.529 41.453 42.059 -0.128 0.000 0.922 46 L HN -0.492 7.669 8.230 -0.063 0.032 0.443 47 V N -1.783 118.176 119.914 0.075 0.000 2.719 47 V HA -0.306 nan 4.120 nan 0.000 0.252 47 V C 1.298 177.547 176.094 0.259 0.000 1.065 47 V CA 3.104 65.515 62.300 0.185 0.000 1.086 47 V CB -0.755 31.127 31.823 0.098 0.000 0.700 47 V HN -0.116 8.095 8.190 0.035 0.000 0.467 48 R N 0.662 121.267 120.500 0.174 0.000 2.081 48 R HA -0.311 nan 4.340 nan 0.000 0.235 48 R C 1.850 178.194 176.300 0.072 0.000 1.131 48 R CA 3.453 59.687 56.100 0.224 0.000 0.960 48 R CB -0.039 30.303 30.300 0.070 0.000 0.856 48 R HN -0.333 7.998 8.270 0.102 0.000 0.436 49 L N -1.015 120.173 121.223 -0.059 0.000 2.046 49 L HA -0.273 nan 4.340 nan 0.000 0.208 49 L C 1.081 177.898 176.870 -0.088 0.000 1.077 49 L CA 3.105 57.817 54.840 -0.213 0.000 0.747 49 L CB -0.376 41.522 42.059 -0.270 0.000 0.896 49 L HN -0.030 8.072 8.230 -0.037 0.106 0.432 50 A N -1.218 121.659 122.820 0.093 0.000 1.972 50 A HA -0.279 nan 4.320 nan 0.000 0.219 50 A C 1.445 179.173 177.584 0.241 0.000 1.169 50 A CA 2.871 55.013 52.037 0.175 0.000 0.635 50 A CB -0.833 18.329 19.000 0.271 0.000 0.810 50 A HN -0.349 7.874 8.150 0.122 0.000 0.446 51 W N -1.665 119.781 121.300 0.242 0.000 2.443 51 W HA -0.344 nan 4.660 nan 0.000 0.296 51 W C 1.286 177.950 176.519 0.241 0.000 1.202 51 W CA 2.817 60.331 57.345 0.282 0.000 1.312 51 W CB 0.080 29.756 29.460 0.361 0.000 1.120 51 W HN -0.409 8.076 8.180 0.508 0.000 0.536 52 H N -0.760 117.937 119.070 -0.622 0.000 2.423 52 H HA -0.323 nan 4.556 nan 0.000 0.297 52 H C 2.060 177.162 175.328 -0.378 0.000 1.075 52 H CA 3.354 58.982 56.048 -0.700 0.000 1.342 52 H CB 0.809 30.275 29.762 -0.493 0.000 1.395 52 H HN -0.377 7.890 8.280 -0.021 0.000 0.530 53 I N -5.955 114.535 120.570 -0.133 0.000 2.617 53 I HA -0.175 nan 4.170 nan 0.000 0.256 53 I C 0.394 176.519 176.117 0.013 0.000 1.167 53 I CA 2.135 63.414 61.300 -0.035 0.000 1.469 53 I CB 0.061 38.081 38.000 0.033 0.000 1.098 53 I HN -0.413 7.723 8.210 -0.124 0.000 0.436 54 S N 0.029 115.727 115.700 -0.003 0.000 2.425 54 S HA -0.069 nan 4.470 nan 0.000 0.225 54 S C 2.273 176.905 174.600 0.053 0.000 1.024 54 S CA 3.375 61.596 58.200 0.035 0.000 0.951 54 S CB 0.087 63.328 63.200 0.068 0.000 0.796 54 S HN -0.751 7.529 8.310 -0.016 0.021 0.498 55 G N -0.259 108.481 108.800 -0.100 0.000 2.848 55 G HA2 0.055 nan 3.960 nan 0.000 0.208 55 G HA3 0.055 nan 3.960 nan 0.000 0.208 55 G C -0.446 174.423 174.900 -0.051 0.000 1.152 55 G CA 1.265 46.279 45.100 -0.142 0.000 0.789 55 G HN 0.006 8.150 8.290 -0.244 0.000 0.531 56 T N -3.306 111.246 114.554 -0.003 0.000 3.107 56 T HA -0.001 nan 4.350 nan 0.000 0.249 56 T C -0.048 174.727 174.700 0.126 0.000 1.096 56 T CA -1.366 60.763 62.100 0.048 0.000 1.012 56 T CB -0.545 68.358 68.868 0.059 0.000 0.977 56 T HN -0.569 7.597 8.240 -0.009 0.069 0.527 57 W N 2.967 124.248 121.300 -0.031 0.000 2.295 57 W HA -0.274 nan 4.660 nan 0.000 0.335 57 W C -1.994 174.485 176.519 -0.067 0.000 1.351 57 W CA 0.779 58.108 57.345 -0.026 0.000 1.273 57 W CB 0.325 29.776 29.460 -0.015 0.000 1.214 57 W HN -0.805 7.479 8.180 0.280 0.064 0.563 58 D N 8.038 128.127 120.400 -0.518 0.000 2.414 58 D HA 0.275 nan 4.640 nan 0.000 0.232 58 D C 0.266 175.798 176.300 -1.279 0.000 1.070 58 D CA -1.676 51.897 54.000 -0.713 0.000 0.839 58 D CB 2.248 42.852 40.800 -0.326 0.000 1.079 58 D HN 0.413 8.582 8.370 -0.335 0.000 0.521 59 K N 6.423 125.874 120.400 -1.582 0.000 2.360 59 K HA -0.293 nan 4.320 nan 0.000 0.201 59 K C 1.090 177.222 176.600 -0.780 0.000 1.046 59 K CA 1.977 57.352 56.287 -1.521 0.000 0.945 59 K CB -0.185 31.643 32.500 -1.120 0.000 0.750 59 K HN 0.030 7.486 8.250 -1.324 0.000 0.464 60 H N -1.096 117.722 119.070 -0.420 0.000 2.403 60 H HA -0.083 nan 4.556 nan 0.000 0.298 60 H C 0.987 176.202 175.328 -0.188 0.000 1.059 60 H CA 1.762 57.665 56.048 -0.242 0.000 1.363 60 H CB 0.521 30.170 29.762 -0.190 0.000 1.410 60 H HN -0.160 7.889 8.280 -0.781 -0.237 0.528 61 D N -5.476 114.861 120.400 -0.104 0.000 2.520 61 D HA -0.001 nan 4.640 nan 0.000 0.223 61 D C 0.060 176.314 176.300 -0.076 0.000 1.186 61 D CA -0.832 53.126 54.000 -0.070 0.000 0.821 61 D CB 0.363 41.138 40.800 -0.041 0.000 1.072 61 D HN -0.609 7.643 8.370 -0.198 0.000 0.518 62 N N -1.375 117.251 118.700 -0.123 0.000 2.708 62 N HA -0.388 nan 4.740 nan 0.000 0.251 62 N C -0.794 174.826 175.510 0.182 0.000 1.123 62 N CA 0.939 54.027 53.050 0.064 0.000 0.739 62 N CB -0.721 37.799 38.487 0.053 0.000 1.113 62 N HN -0.119 8.102 8.380 -0.264 0.000 0.561 63 T N -5.308 109.292 114.554 0.077 0.000 2.899 63 T HA 0.379 nan 4.350 nan 0.000 0.284 63 T C -0.325 174.498 174.700 0.204 0.000 1.004 63 T CA -1.353 60.839 62.100 0.152 0.000 1.043 63 T CB 1.662 70.573 68.868 0.072 0.000 1.013 63 T HN -0.508 7.939 8.240 -0.043 -0.233 0.518 64 G N 3.649 112.580 108.800 0.219 0.000 2.750 64 G HA2 -0.481 nan 3.960 nan 0.000 0.228 64 G HA3 -0.481 nan 3.960 nan 0.000 0.228 64 G C -0.773 174.311 174.900 0.308 0.000 1.367 64 G CA -0.289 44.948 45.100 0.228 0.000 0.871 64 G HN 0.368 8.777 8.290 0.198 0.000 0.560 65 G N -1.320 107.626 108.800 0.243 0.000 2.655 65 G HA2 -0.276 nan 3.960 nan 0.000 0.680 65 G HA3 -0.276 nan 3.960 nan 0.000 0.680 65 G C 0.215 175.174 174.900 0.099 0.000 1.302 65 G CA -0.468 44.723 45.100 0.151 0.000 0.872 65 G HN 0.001 8.411 8.290 0.199 0.000 0.540 66 S N 0.411 116.142 115.700 0.051 0.000 2.489 66 S HA -0.252 nan 4.470 nan 0.000 0.228 66 S C 1.518 176.176 174.600 0.096 0.000 0.995 66 S CA 1.993 60.247 58.200 0.090 0.000 0.934 66 S CB 0.295 63.538 63.200 0.072 0.000 0.771 66 S HN 0.464 8.766 8.310 -0.014 0.000 0.522 67 Y N 4.216 124.469 120.300 -0.079 0.000 2.040 67 Y HA -0.466 nan 4.550 nan 0.000 0.275 67 Y C 0.620 176.475 175.900 -0.076 0.000 1.171 67 Y CA 3.172 61.193 58.100 -0.131 0.000 1.123 67 Y CB -0.100 38.175 38.460 -0.309 0.000 0.963 67 Y HN 0.119 8.422 8.280 0.121 0.049 0.493 68 G N -6.648 102.175 108.800 0.039 0.000 2.920 68 G HA2 -0.144 nan 3.960 nan 0.000 0.208 68 G HA3 -0.144 nan 3.960 nan 0.000 0.208 68 G C -0.267 174.666 174.900 0.055 0.000 1.159 68 G CA -0.352 44.764 45.100 0.027 0.000 0.784 68 G HN -0.003 8.365 8.290 0.129 0.000 0.535 69 G N -0.633 108.219 108.800 0.087 0.000 2.296 69 G HA2 -0.475 nan 3.960 nan 0.000 0.282 69 G HA3 -0.475 nan 3.960 nan 0.000 0.282 69 G C 1.222 176.253 174.900 0.219 0.000 1.014 69 G CA 1.223 46.422 45.100 0.165 0.000 0.812 69 G HN -0.429 7.848 8.290 0.081 0.061 0.508 70 T N -2.991 111.716 114.554 0.255 0.000 3.098 70 T HA -0.282 nan 4.350 nan 0.000 0.266 70 T C 0.947 175.826 174.700 0.298 0.000 1.145 70 T CA 1.888 64.185 62.100 0.328 0.000 1.092 70 T CB -0.907 68.203 68.868 0.403 0.000 0.908 70 T HN 0.270 8.628 8.240 0.249 0.030 0.526 71 Y N 3.984 124.393 120.300 0.182 0.000 2.333 71 Y HA -0.309 nan 4.550 nan 0.000 0.290 71 Y C 0.569 176.512 175.900 0.071 0.000 1.144 71 Y CA 1.461 59.628 58.100 0.112 0.000 1.228 71 Y CB -0.410 38.035 38.460 -0.025 0.000 0.985 71 Y HN -0.591 7.909 8.280 0.456 0.054 0.542 72 R N -2.432 118.041 120.500 -0.044 0.000 2.159 72 R HA -0.298 nan 4.340 nan 0.000 0.237 72 R C 0.476 176.492 176.300 -0.472 0.000 1.131 72 R CA 1.945 57.852 56.100 -0.322 0.000 0.982 72 R CB -0.281 29.891 30.300 -0.214 0.000 0.868 72 R HN -0.662 7.712 8.270 0.207 0.020 0.453 73 F N -1.027 118.873 119.950 -0.083 0.000 2.418 73 F HA 0.098 nan 4.527 nan 0.000 0.341 73 F C 0.990 176.736 175.800 -0.090 0.000 1.120 73 F CA -0.836 57.115 58.000 -0.082 0.000 1.232 73 F CB 0.371 39.368 39.000 -0.004 0.000 1.175 73 F HN -0.625 7.384 8.300 -0.243 0.145 0.569 74 K N 3.252 123.737 120.400 0.142 0.000 2.034 74 K HA -0.478 nan 4.320 nan 0.000 0.214 74 K C 1.872 178.541 176.600 0.115 0.000 1.051 74 K CA 4.076 60.411 56.287 0.078 0.000 0.931 74 K CB -0.587 31.944 32.500 0.053 0.000 0.715 74 K HN 0.754 9.127 8.250 0.205 0.000 0.446 75 K N -1.187 119.276 120.400 0.106 0.000 2.044 75 K HA -0.319 nan 4.320 nan 0.000 0.210 75 K C 1.694 178.358 176.600 0.106 0.000 1.049 75 K CA 3.209 59.549 56.287 0.089 0.000 0.927 75 K CB -0.233 32.307 32.500 0.067 0.000 0.713 75 K HN -0.079 8.233 8.250 0.104 0.000 0.443 76 E N -1.983 118.302 120.200 0.141 0.000 2.158 76 E HA -0.205 nan 4.350 nan 0.000 0.191 76 E C 2.457 179.131 176.600 0.124 0.000 0.982 76 E CA 1.917 58.410 56.400 0.154 0.000 0.823 76 E CB 0.206 30.036 29.700 0.216 0.000 0.766 76 E HN -0.410 8.052 8.360 0.170 0.000 0.468 77 F N 1.224 121.080 119.950 -0.157 0.000 2.186 77 F HA -0.233 nan 4.527 nan 0.000 0.299 77 F C 0.659 176.384 175.800 -0.124 0.000 1.090 77 F CA 3.158 60.937 58.000 -0.369 0.000 1.307 77 F CB 0.580 39.257 39.000 -0.538 0.000 1.019 77 F HN -0.176 8.131 8.300 0.148 0.082 0.489 78 N N -2.560 116.178 118.700 0.063 0.000 2.313 78 N HA -0.020 nan 4.740 nan 0.000 0.207 78 N C -1.258 174.268 175.510 0.026 0.000 1.141 78 N CA 0.166 53.233 53.050 0.029 0.000 0.830 78 N CB 0.424 38.961 38.487 0.083 0.000 1.008 78 N HN -0.232 8.229 8.380 0.136 0.000 0.481 79 D N 2.198 122.619 120.400 0.035 0.000 2.417 79 D HA 0.136 nan 4.640 nan 0.000 0.250 79 D C -0.261 176.065 176.300 0.042 0.000 1.166 79 D CA -1.946 52.084 54.000 0.050 0.000 0.881 79 D CB 0.798 41.641 40.800 0.072 0.000 1.164 79 D HN -0.652 7.547 8.370 0.040 0.195 0.467 80 P HA -0.177 nan 4.420 nan 0.000 0.217 80 P C 1.125 178.470 177.300 0.074 0.000 1.148 80 P CA 2.180 65.311 63.100 0.051 0.000 0.828 80 P CB 0.222 31.952 31.700 0.051 0.000 0.783 81 S N -2.695 113.057 115.700 0.088 0.000 2.515 81 S HA -0.233 nan 4.470 nan 0.000 0.231 81 S C 0.766 175.489 174.600 0.205 0.000 0.987 81 S CA 2.806 61.086 58.200 0.134 0.000 0.936 81 S CB -0.519 62.731 63.200 0.084 0.000 0.766 81 S HN -0.405 8.153 8.310 0.074 -0.203 0.528 82 N N 0.027 118.804 118.700 0.129 0.000 2.280 82 N HA 0.086 nan 4.740 nan 0.000 0.192 82 N C -1.516 173.978 175.510 -0.027 0.000 1.109 82 N CA -0.644 52.450 53.050 0.073 0.000 0.855 82 N CB 0.598 39.136 38.487 0.085 0.000 0.974 82 N HN -0.073 8.178 8.380 0.090 0.183 0.482 83 A N -0.602 122.219 122.820 0.001 0.000 2.561 83 A HA -0.257 nan 4.320 nan 0.000 0.251 83 A C 0.348 177.921 177.584 -0.019 0.000 1.062 83 A CA 1.855 53.882 52.037 -0.016 0.000 0.761 83 A CB -0.754 18.261 19.000 0.025 0.000 0.986 83 A HN -0.593 7.419 8.150 0.041 0.163 0.510 84 G N 3.346 112.120 108.800 -0.043 0.000 2.232 84 G HA2 -0.387 nan 3.960 nan 0.000 0.226 84 G HA3 -0.387 nan 3.960 nan 0.000 0.226 84 G C 1.074 175.952 174.900 -0.038 0.000 0.996 84 G CA 0.649 45.728 45.100 -0.035 0.000 0.626 84 G HN 0.466 8.957 8.290 -0.061 -0.238 0.509 85 L N 0.896 122.067 121.223 -0.086 0.000 2.552 85 L HA -0.276 nan 4.340 nan 0.000 0.227 85 L C 0.676 177.559 176.870 0.022 0.000 1.146 85 L CA 1.542 56.328 54.840 -0.091 0.000 0.858 85 L CB -0.611 41.313 42.059 -0.225 0.000 0.969 85 L HN -0.022 8.072 8.230 -0.108 0.071 0.451 86 Q N -0.980 118.815 119.800 -0.008 0.000 2.226 86 Q HA -0.387 nan 4.340 nan 0.000 0.204 86 Q C 2.134 178.297 176.000 0.272 0.000 0.975 86 Q CA 3.616 59.497 55.803 0.130 0.000 0.866 86 Q CB -1.015 27.776 28.738 0.088 0.000 0.915 86 Q HN 0.447 8.601 8.270 -0.075 0.072 0.440 87 N N -0.222 118.589 118.700 0.185 0.000 2.188 87 N HA -0.249 nan 4.740 nan 0.000 0.184 87 N C 2.136 177.759 175.510 0.189 0.000 1.018 87 N CA 2.949 56.122 53.050 0.206 0.000 0.858 87 N CB -0.423 38.180 38.487 0.193 0.000 0.989 87 N HN -0.634 7.800 8.380 0.126 0.022 0.426 88 G N -0.069 108.811 108.800 0.133 0.000 2.402 88 G HA2 -0.244 nan 3.960 nan 0.000 0.216 88 G HA3 -0.244 nan 3.960 nan 0.000 0.216 88 G C 1.009 176.011 174.900 0.170 0.000 1.162 88 G CA 1.628 46.767 45.100 0.065 0.000 0.777 88 G HN -0.359 7.900 8.290 0.109 0.096 0.539 89 F N 2.995 123.023 119.950 0.129 0.000 2.046 89 F HA -0.373 nan 4.527 nan 0.000 0.297 89 F C 1.238 177.158 175.800 0.200 0.000 1.123 89 F CA 2.927 61.068 58.000 0.235 0.000 1.199 89 F CB 0.249 39.507 39.000 0.430 0.000 0.972 89 F HN -0.358 8.180 8.300 0.397 0.000 0.474 90 K N -2.625 117.896 120.400 0.203 0.000 2.160 90 K HA -0.448 nan 4.320 nan 0.000 0.206 90 K C 1.999 178.569 176.600 -0.051 0.000 1.047 90 K CA 2.929 59.240 56.287 0.041 0.000 0.930 90 K CB -0.269 32.318 32.500 0.145 0.000 0.720 90 K HN -0.198 8.310 8.250 0.430 0.000 0.450 91 F N -1.485 118.324 119.950 -0.235 0.000 2.102 91 F HA -0.281 nan 4.527 nan 0.000 0.298 91 F C 0.878 176.500 175.800 -0.297 0.000 1.105 91 F CA 2.788 60.540 58.000 -0.412 0.000 1.239 91 F CB 0.658 39.225 39.000 -0.722 0.000 0.991 91 F HN -0.785 7.564 8.300 0.105 0.014 0.474 92 L N -2.956 118.281 121.223 0.023 0.000 2.179 92 L HA -0.344 nan 4.340 nan 0.000 0.208 92 L C 1.730 178.498 176.870 -0.169 0.000 1.096 92 L CA 2.019 56.831 54.840 -0.046 0.000 0.779 92 L CB -0.234 41.885 42.059 0.099 0.000 0.922 92 L HN -0.530 7.683 8.230 0.106 0.080 0.443 93 E N 0.055 120.096 120.200 -0.265 0.000 2.108 93 E HA -0.332 nan 4.350 nan 0.000 0.203 93 E C -0.976 175.528 176.600 -0.161 0.000 1.022 93 E CA 5.627 61.868 56.400 -0.265 0.000 0.823 93 E CB -1.717 27.769 29.700 -0.358 0.000 0.744 93 E HN 0.116 8.287 8.360 -0.316 0.000 0.456 94 P HA -0.204 nan 4.420 nan 0.000 0.216 94 P C 1.593 178.817 177.300 -0.127 0.000 1.150 94 P CA 2.704 65.708 63.100 -0.160 0.000 0.843 94 P CB -0.496 31.083 31.700 -0.202 0.000 0.787 95 I N -2.295 118.196 120.570 -0.131 0.000 2.394 95 I HA -0.488 nan 4.170 nan 0.000 0.251 95 I C 1.641 177.798 176.117 0.068 0.000 1.136 95 I CA 3.518 64.799 61.300 -0.031 0.000 1.425 95 I CB -0.316 37.614 38.000 -0.117 0.000 1.079 95 I HN -0.555 7.537 8.210 -0.197 0.000 0.425 96 H N 0.952 119.945 119.070 -0.129 0.000 2.363 96 H HA -0.304 nan 4.556 nan 0.000 0.301 96 H C 1.609 176.854 175.328 -0.138 0.000 1.074 96 H CA 2.686 58.644 56.048 -0.150 0.000 1.354 96 H CB 0.416 30.074 29.762 -0.174 0.000 1.397 96 H HN -0.460 7.719 8.280 0.003 0.102 0.516 97 K N -3.026 117.331 120.400 -0.072 0.000 2.152 97 K HA -0.227 nan 4.320 nan 0.000 0.206 97 K C 1.200 177.710 176.600 -0.149 0.000 1.048 97 K CA 1.699 57.906 56.287 -0.134 0.000 0.933 97 K CB -0.087 32.341 32.500 -0.121 0.000 0.721 97 K HN -0.375 7.843 8.250 -0.052 0.000 0.447 98 E N -1.973 118.136 120.200 -0.152 0.000 2.216 98 E HA -0.162 nan 4.350 nan 0.000 0.192 98 E C 0.112 176.373 176.600 -0.565 0.000 0.988 98 E CA 1.962 58.168 56.400 -0.325 0.000 0.834 98 E CB 1.007 30.518 29.700 -0.315 0.000 0.772 98 E HN -0.663 7.534 8.360 -0.088 0.111 0.479 99 F N -2.573 117.257 119.950 -0.200 0.000 2.523 99 F HA 0.481 nan 4.527 nan 0.000 0.322 99 F C -2.528 172.954 175.800 -0.530 0.000 1.361 99 F CA -2.880 54.883 58.000 -0.395 0.000 1.151 99 F CB -0.198 38.439 39.000 -0.606 0.000 1.391 99 F HN -0.548 7.761 8.300 0.015 0.000 0.566 100 P HA -0.137 nan 4.420 nan 0.000 0.230 100 P C -0.662 176.607 177.300 -0.053 0.000 1.158 100 P CA 1.282 64.271 63.100 -0.184 0.000 0.769 100 P CB -0.335 31.291 31.700 -0.123 0.000 0.807 101 W N -5.617 115.714 121.300 0.051 0.000 2.584 101 W HA -0.064 nan 4.660 nan 0.000 0.264 101 W C -0.643 175.947 176.519 0.119 0.000 1.264 101 W CA -1.318 56.064 57.345 0.061 0.000 1.306 101 W CB -0.378 29.105 29.460 0.040 0.000 1.110 101 W HN -0.637 7.455 8.180 -0.043 0.062 0.606 102 I N 2.454 122.915 120.570 -0.182 0.000 2.575 102 I HA 0.004 nan 4.170 nan 0.000 0.285 102 I C -0.151 176.034 176.117 0.112 0.000 1.085 102 I CA -0.079 61.185 61.300 -0.060 0.000 1.403 102 I CB 1.452 39.141 38.000 -0.519 0.000 1.409 102 I HN -0.752 7.009 8.210 -0.688 0.036 0.557 103 S N 7.513 123.287 115.700 0.123 0.000 2.593 103 S HA 0.101 nan 4.470 nan 0.000 0.269 103 S C 1.210 175.713 174.600 -0.162 0.000 1.334 103 S CA 0.461 58.676 58.200 0.025 0.000 1.015 103 S CB 1.013 64.208 63.200 -0.008 0.000 0.912 103 S HN 0.134 8.885 8.310 0.218 -0.311 0.541 104 S N 4.422 119.980 115.700 -0.237 0.000 2.353 104 S HA -0.329 nan 4.470 nan 0.000 0.222 104 S C 2.047 176.240 174.600 -0.679 0.000 1.035 104 S CA 4.509 62.323 58.200 -0.644 0.000 1.025 104 S CB -0.357 62.559 63.200 -0.474 0.000 0.902 104 S HN 0.225 8.817 8.310 -0.103 -0.344 0.440 105 G N -0.064 108.581 108.800 -0.259 0.000 2.469 105 G HA2 -0.351 nan 3.960 nan 0.000 0.220 105 G HA3 -0.351 nan 3.960 nan 0.000 0.220 105 G C 0.879 175.788 174.900 0.015 0.000 1.136 105 G CA 2.084 47.152 45.100 -0.054 0.000 0.759 105 G HN -0.162 8.011 8.290 -0.194 0.000 0.562 106 D N 2.314 122.728 120.400 0.023 0.000 2.144 106 D HA -0.142 nan 4.640 nan 0.000 0.200 106 D C 2.096 178.472 176.300 0.127 0.000 0.978 106 D CA 3.059 57.220 54.000 0.269 0.000 0.833 106 D CB -0.223 40.803 40.800 0.376 0.000 0.961 106 D HN -0.687 7.656 8.370 -0.044 0.000 0.470 107 L N 0.468 121.578 121.223 -0.188 0.000 2.044 107 L HA -0.269 nan 4.340 nan 0.000 0.205 107 L C 1.421 178.245 176.870 -0.076 0.000 1.075 107 L CA 3.472 58.137 54.840 -0.291 0.000 0.747 107 L CB -0.148 41.532 42.059 -0.631 0.000 0.903 107 L HN -0.274 7.685 8.230 -0.317 0.081 0.435 108 F N -2.721 117.215 119.950 -0.025 0.000 2.161 108 F HA -0.354 nan 4.527 nan 0.000 0.300 108 F C 2.409 178.227 175.800 0.029 0.000 1.089 108 F CA 1.731 59.740 58.000 0.015 0.000 1.282 108 F CB -1.336 37.694 39.000 0.050 0.000 1.010 108 F HN 0.499 8.482 8.300 -0.527 0.000 0.485 109 S N -0.536 115.320 115.700 0.261 0.000 2.414 109 S HA -0.216 nan 4.470 nan 0.000 0.227 109 S C 2.175 176.844 174.600 0.116 0.000 1.022 109 S CA 3.364 61.699 58.200 0.226 0.000 0.958 109 S CB 0.310 63.705 63.200 0.325 0.000 0.797 109 S HN -0.410 8.052 8.310 0.252 0.000 0.493 110 L N 2.890 124.072 121.223 -0.068 0.000 2.156 110 L HA -0.119 nan 4.340 nan 0.000 0.208 110 L C 1.503 178.245 176.870 -0.215 0.000 1.095 110 L CA 2.054 56.636 54.840 -0.430 0.000 0.770 110 L CB -0.540 41.073 42.059 -0.744 0.000 0.914 110 L HN -0.075 8.168 8.230 0.022 0.000 0.439 111 G N -1.623 107.120 108.800 -0.096 0.000 2.513 111 G HA2 -0.494 nan 3.960 nan 0.000 0.219 111 G HA3 -0.494 nan 3.960 nan 0.000 0.219 111 G C 0.845 175.739 174.900 -0.010 0.000 1.160 111 G CA 2.774 47.844 45.100 -0.051 0.000 0.767 111 G HN 0.471 8.726 8.290 -0.057 0.000 0.571 112 G N 0.933 109.788 108.800 0.092 0.000 2.491 112 G HA2 -0.378 nan 3.960 nan 0.000 0.218 112 G HA3 -0.378 nan 3.960 nan 0.000 0.218 112 G C 1.104 176.160 174.900 0.261 0.000 1.180 112 G CA 2.042 47.282 45.100 0.234 0.000 0.774 112 G HN -0.681 7.671 8.290 0.104 0.000 0.562 113 V N 2.353 122.399 119.914 0.220 0.000 2.392 113 V HA -0.443 nan 4.120 nan 0.000 0.249 113 V C 2.415 178.578 176.094 0.115 0.000 1.059 113 V CA 4.158 66.590 62.300 0.220 0.000 1.051 113 V CB -0.688 31.235 31.823 0.168 0.000 0.658 113 V HN -0.292 7.986 8.190 0.145 0.000 0.455 114 T N 0.911 115.441 114.554 -0.041 0.000 2.737 114 T HA -0.284 nan 4.350 nan 0.000 0.265 114 T C 1.388 175.972 174.700 -0.194 0.000 1.038 114 T CA 4.838 66.776 62.100 -0.271 0.000 1.144 114 T CB -0.616 67.896 68.868 -0.594 0.000 0.866 114 T HN 0.213 8.403 8.240 -0.084 0.000 0.434 115 A N 1.214 123.961 122.820 -0.122 0.000 1.892 115 A HA -0.298 nan 4.320 nan 0.000 0.218 115 A C 1.671 179.209 177.584 -0.077 0.000 1.188 115 A CA 3.347 55.332 52.037 -0.087 0.000 0.631 115 A CB -0.884 18.082 19.000 -0.057 0.000 0.822 115 A HN 0.070 8.158 8.150 -0.103 0.000 0.447 116 V N -1.194 118.665 119.914 -0.092 0.000 2.295 116 V HA -0.555 nan 4.120 nan 0.000 0.246 116 V C 2.382 178.331 176.094 -0.242 0.000 1.049 116 V CA 4.730 66.879 62.300 -0.251 0.000 1.024 116 V CB -0.990 30.608 31.823 -0.374 0.000 0.648 116 V HN -0.278 7.891 8.190 -0.035 0.000 0.447 117 Q N -2.066 117.671 119.800 -0.104 0.000 2.119 117 Q HA -0.321 nan 4.340 nan 0.000 0.201 117 Q C 3.199 179.200 176.000 0.001 0.000 0.972 117 Q CA 3.143 58.924 55.803 -0.036 0.000 0.847 117 Q CB -0.246 28.574 28.738 0.136 0.000 0.903 117 Q HN -0.390 7.858 8.270 -0.036 0.000 0.433 118 E N -0.413 119.784 120.200 -0.005 0.000 2.274 118 E HA -0.179 nan 4.350 nan 0.000 0.194 118 E C 1.264 177.865 176.600 0.002 0.000 0.996 118 E CA 1.655 58.053 56.400 -0.003 0.000 0.840 118 E CB -0.229 29.435 29.700 -0.060 0.000 0.772 118 E HN -0.275 8.066 8.360 -0.032 0.000 0.491 119 M N -1.366 118.228 119.600 -0.011 0.000 2.729 119 M HA 0.092 nan 4.480 nan 0.000 0.229 119 M C -1.277 175.056 176.300 0.055 0.000 1.280 119 M CA 0.176 55.495 55.300 0.032 0.000 1.012 119 M CB -0.580 32.053 32.600 0.055 0.000 1.603 119 M HN -0.178 7.994 8.290 -0.044 0.092 0.452 120 Q N -5.259 114.560 119.800 0.032 0.000 2.452 120 Q HA -0.430 nan 4.340 nan 0.000 0.248 120 Q C -0.004 175.994 176.000 -0.003 0.000 0.874 120 Q CA 1.129 56.966 55.803 0.056 0.000 1.208 120 Q CB -2.986 25.826 28.738 0.124 0.000 1.569 120 Q HN -0.105 8.061 8.270 0.019 0.115 0.579 121 G N 2.042 110.696 108.800 -0.243 0.000 2.553 121 G HA2 0.085 nan 3.960 nan 0.000 0.278 121 G HA3 0.085 nan 3.960 nan 0.000 0.278 121 G C -2.156 172.260 174.900 -0.806 0.000 1.349 121 G CA -0.661 43.946 45.100 -0.822 0.000 1.037 121 G HN -0.253 7.857 8.290 -0.218 0.049 0.508 122 P HA 0.035 nan 4.420 nan 0.000 0.272 122 P C -1.282 175.856 177.300 -0.271 0.000 1.230 122 P CA -0.617 62.164 63.100 -0.531 0.000 0.788 122 P CB 1.113 32.509 31.700 -0.507 0.000 0.949 123 K N -0.610 119.726 120.400 -0.108 0.000 2.379 123 K HA 0.009 nan 4.320 nan 0.000 0.284 123 K C -0.253 176.342 176.600 -0.009 0.000 1.044 123 K CA -0.505 55.763 56.287 -0.031 0.000 0.974 123 K CB 0.002 32.499 32.500 -0.004 0.000 0.962 123 K HN 0.053 8.259 8.250 -0.074 0.000 0.474 124 I N 5.759 126.359 120.570 0.050 0.000 2.307 124 I HA 0.170 nan 4.170 nan 0.000 0.289 124 I C -1.804 174.372 176.117 0.099 0.000 1.021 124 I CA -4.766 56.593 61.300 0.098 0.000 1.224 124 I CB -1.536 36.592 38.000 0.214 0.000 1.376 124 I HN -0.347 8.138 8.210 0.078 -0.229 0.470 125 P HA -0.116 nan 4.420 nan 0.000 0.260 125 P C -2.152 175.187 177.300 0.064 0.000 1.185 125 P CA 0.177 63.276 63.100 -0.002 0.000 0.763 125 P CB -0.107 31.548 31.700 -0.076 0.000 0.776 126 W N 7.144 128.366 121.300 -0.129 0.000 2.627 126 W HA 0.260 nan 4.660 nan 0.000 0.339 126 W C -2.514 173.849 176.519 -0.260 0.000 1.058 126 W CA -1.529 55.754 57.345 -0.103 0.000 1.223 126 W CB 3.584 33.114 29.460 0.116 0.000 1.389 126 W HN 0.733 8.999 8.180 0.142 0.000 0.541 127 R N 2.822 122.667 120.500 -1.090 0.000 2.637 127 R HA 0.521 nan 4.340 nan 0.000 0.291 127 R C -1.618 173.698 176.300 -1.641 0.000 0.963 127 R CA -1.763 53.586 56.100 -1.252 0.000 0.901 127 R CB 3.358 32.962 30.300 -1.160 0.000 1.160 127 R HN 0.253 7.860 8.270 -1.105 0.000 0.457 128 C N -2.316 116.202 119.300 -1.303 0.000 2.347 128 C HA 0.532 nan 4.460 nan 0.000 0.366 128 C C 0.468 175.311 174.990 -0.246 0.000 1.241 128 C CA -2.557 55.964 59.018 -0.829 0.000 2.360 128 C CB 1.125 28.538 27.740 -0.546 0.000 2.290 128 C HN 0.525 8.065 8.230 -1.150 0.000 0.587 129 G N 0.328 109.102 108.800 -0.043 0.000 2.425 129 G HA2 -0.137 nan 3.960 nan 0.000 0.177 129 G HA3 -0.137 nan 3.960 nan 0.000 0.177 129 G C -0.879 174.010 174.900 -0.018 0.000 0.999 129 G CA -0.266 44.857 45.100 0.040 0.000 0.723 129 G HN 0.275 8.974 8.290 0.010 -0.403 0.491 130 R N 0.502 120.939 120.500 -0.106 0.000 2.590 130 R HA -0.072 nan 4.340 nan 0.000 0.274 130 R C -0.881 175.114 176.300 -0.507 0.000 1.061 130 R CA 0.931 56.785 56.100 -0.411 0.000 1.081 130 R CB 0.844 30.994 30.300 -0.250 0.000 0.984 130 R HN -0.543 7.926 8.270 -0.064 -0.237 0.448 131 V N 3.590 122.916 119.914 -0.979 0.000 2.604 131 V HA 0.062 nan 4.120 nan 0.000 0.305 131 V C -0.844 175.014 176.094 -0.393 0.000 1.043 131 V CA -1.449 60.574 62.300 -0.461 0.000 0.888 131 V CB 2.176 33.865 31.823 -0.224 0.000 0.995 131 V HN -0.123 6.750 8.190 -2.195 0.000 0.429 132 D N 4.794 125.104 120.400 -0.151 0.000 2.455 132 D HA 0.020 nan 4.640 nan 0.000 0.241 132 D C -0.318 176.004 176.300 0.037 0.000 1.138 132 D CA 1.233 55.199 54.000 -0.055 0.000 0.877 132 D CB 0.650 41.445 40.800 -0.009 0.000 1.187 132 D HN 0.003 8.314 8.370 -0.099 0.000 0.451 133 T N -0.287 114.340 114.554 0.121 0.000 2.930 133 T HA 0.546 nan 4.350 nan 0.000 0.290 133 T C -2.044 172.828 174.700 0.287 0.000 1.052 133 T CA -3.328 58.886 62.100 0.190 0.000 1.017 133 T CB 0.922 69.912 68.868 0.202 0.000 1.137 133 T HN -0.139 8.083 8.240 0.125 0.094 0.511 134 P HA 0.188 nan 4.420 nan 0.000 0.271 134 P C 0.773 177.989 177.300 -0.138 0.000 1.233 134 P CA -1.073 62.103 63.100 0.126 0.000 0.789 134 P CB 0.754 32.481 31.700 0.044 0.000 0.951 135 E N 1.228 121.045 120.200 -0.639 0.000 2.171 135 E HA -0.388 nan 4.350 nan 0.000 0.197 135 E C 1.584 177.871 176.600 -0.522 0.000 0.997 135 E CA 3.854 59.482 56.400 -1.287 0.000 0.810 135 E CB -0.210 28.855 29.700 -1.059 0.000 0.738 135 E HN 0.528 8.656 8.360 -0.385 0.000 0.467 136 D N -4.101 116.145 120.400 -0.256 0.000 2.378 136 D HA -0.151 nan 4.640 nan 0.000 0.227 136 D C 0.848 177.119 176.300 -0.049 0.000 1.012 136 D CA 1.352 55.279 54.000 -0.121 0.000 0.905 136 D CB -0.685 40.074 40.800 -0.069 0.000 0.895 136 D HN 0.197 8.406 8.370 -0.225 0.026 0.532 137 T N -5.261 109.279 114.554 -0.023 0.000 3.069 137 T HA 0.166 nan 4.350 nan 0.000 0.252 137 T C 0.173 174.931 174.700 0.096 0.000 1.053 137 T CA -0.233 61.906 62.100 0.065 0.000 0.964 137 T CB 0.328 69.271 68.868 0.126 0.000 1.005 137 T HN -0.203 7.822 8.240 -0.066 0.176 0.532 138 T N 7.656 122.248 114.554 0.063 0.000 2.793 138 T HA 0.168 nan 4.350 nan 0.000 0.289 138 T C -1.864 172.897 174.700 0.101 0.000 0.956 138 T CA -0.165 62.012 62.100 0.129 0.000 1.177 138 T CB -0.526 68.404 68.868 0.103 0.000 0.897 138 T HN -0.529 7.518 8.240 -0.036 0.172 0.533 139 P HA 0.036 nan 4.420 nan 0.000 0.268 139 P C -1.655 175.689 177.300 0.074 0.000 1.205 139 P CA -0.710 62.444 63.100 0.089 0.000 0.771 139 P CB 0.609 32.368 31.700 0.097 0.000 0.858 140 D N 1.527 121.960 120.400 0.055 0.000 2.378 140 D HA -0.127 nan 4.640 nan 0.000 0.238 140 D C 0.166 176.499 176.300 0.055 0.000 1.180 140 D CA 0.577 54.606 54.000 0.049 0.000 0.895 140 D CB 0.437 41.260 40.800 0.038 0.000 1.192 140 D HN 0.116 8.515 8.370 0.048 0.000 0.438 141 N N -0.668 118.065 118.700 0.054 0.000 2.416 141 N HA -0.214 nan 4.740 nan 0.000 0.246 141 N C 0.647 176.190 175.510 0.055 0.000 1.260 141 N CA 1.096 54.180 53.050 0.056 0.000 0.897 141 N CB 0.192 38.712 38.487 0.054 0.000 1.110 141 N HN 0.159 8.570 8.380 0.052 0.000 0.439 142 G N 0.790 109.625 108.800 0.059 0.000 2.143 142 G HA2 -0.277 nan 3.960 nan 0.000 0.175 142 G HA3 -0.277 nan 3.960 nan 0.000 0.175 142 G C -0.091 174.864 174.900 0.091 0.000 1.004 142 G CA -0.047 45.096 45.100 0.071 0.000 0.671 142 G HN 0.641 8.964 8.290 0.054 0.000 0.512 143 R N -2.135 118.414 120.500 0.083 0.000 2.365 143 R HA 0.137 nan 4.340 nan 0.000 0.223 143 R C -0.495 175.918 176.300 0.188 0.000 0.899 143 R CA -0.418 55.752 56.100 0.116 0.000 1.059 143 R CB 0.517 30.854 30.300 0.061 0.000 1.086 143 R HN 0.321 8.627 8.270 0.060 0.000 0.522 144 L N 0.606 121.870 121.223 0.068 0.000 2.399 144 L HA 0.203 nan 4.340 nan 0.000 0.266 144 L C -1.752 175.072 176.870 -0.077 0.000 1.114 144 L CA -2.530 52.283 54.840 -0.045 0.000 0.804 144 L CB -0.048 41.859 42.059 -0.255 0.000 1.146 144 L HN -0.405 7.847 8.230 0.037 0.000 0.451 145 P HA 0.069 nan 4.420 nan 0.000 0.279 145 P C -1.601 175.665 177.300 -0.058 0.000 1.239 145 P CA -0.680 62.150 63.100 -0.451 0.000 0.789 145 P CB 0.521 31.549 31.700 -1.119 0.000 0.933 146 D N 4.306 124.730 120.400 0.040 0.000 2.344 146 D HA 0.056 nan 4.640 nan 0.000 0.244 146 D C 0.443 176.697 176.300 -0.077 0.000 1.134 146 D CA -0.036 53.935 54.000 -0.048 0.000 0.930 146 D CB 0.852 41.559 40.800 -0.155 0.000 1.175 146 D HN -0.030 8.466 8.370 0.210 0.000 0.437 147 A N -0.703 122.108 122.820 -0.014 0.000 2.030 147 A HA -0.003 nan 4.320 nan 0.000 0.215 147 A C -0.370 177.203 177.584 -0.020 0.000 1.164 147 A CA 1.770 53.778 52.037 -0.047 0.000 0.697 147 A CB 0.353 19.230 19.000 -0.206 0.000 0.827 147 A HN 0.191 8.372 8.150 0.052 0.000 0.457 148 D N -3.917 116.498 120.400 0.026 0.000 2.856 148 D HA -0.042 nan 4.640 nan 0.000 0.242 148 D C -0.942 175.336 176.300 -0.037 0.000 1.226 148 D CA -0.214 53.816 54.000 0.049 0.000 0.855 148 D CB -1.964 38.881 40.800 0.074 0.000 1.065 148 D HN 0.206 8.594 8.370 0.030 0.000 0.462 149 K N -1.266 119.090 120.400 -0.073 0.000 2.283 149 K HA 0.291 nan 4.320 nan 0.000 0.257 149 K C -2.175 174.465 176.600 0.067 0.000 1.066 149 K CA -1.986 54.239 56.287 -0.104 0.000 0.891 149 K CB 2.815 35.000 32.500 -0.526 0.000 1.438 149 K HN -0.638 7.522 8.250 -0.032 0.071 0.464 150 D N -4.784 115.698 120.400 0.136 0.000 2.494 150 D HA 0.123 nan 4.640 nan 0.000 0.259 150 D C 0.403 176.860 176.300 0.262 0.000 1.109 150 D CA -1.479 52.635 54.000 0.190 0.000 1.040 150 D CB 2.189 43.088 40.800 0.166 0.000 1.175 150 D HN -0.232 8.215 8.370 0.129 0.000 0.584 151 A N -2.026 120.944 122.820 0.249 0.000 2.076 151 A HA -0.197 nan 4.320 nan 0.000 0.220 151 A C 1.710 179.475 177.584 0.302 0.000 1.160 151 A CA 2.903 55.142 52.037 0.337 0.000 0.653 151 A CB -0.230 18.956 19.000 0.311 0.000 0.801 151 A HN 0.505 8.777 8.150 0.202 0.000 0.455 152 G N -2.928 106.010 108.800 0.230 0.000 2.395 152 G HA2 -0.223 nan 3.960 nan 0.000 0.214 152 G HA3 -0.223 nan 3.960 nan 0.000 0.214 152 G C 0.299 175.342 174.900 0.239 0.000 1.177 152 G CA 1.345 46.558 45.100 0.188 0.000 0.794 152 G HN -0.557 8.001 8.290 0.213 -0.140 0.532 153 Y N 3.035 123.435 120.300 0.166 0.000 2.097 153 Y HA -0.491 nan 4.550 nan 0.000 0.282 153 Y C 1.649 177.705 175.900 0.260 0.000 1.152 153 Y CA 3.869 62.080 58.100 0.185 0.000 1.136 153 Y CB 0.141 38.692 38.460 0.153 0.000 0.975 153 Y HN -0.787 7.884 8.280 0.363 -0.173 0.498 154 V N -1.026 119.152 119.914 0.440 0.000 2.252 154 V HA -0.596 nan 4.120 nan 0.000 0.249 154 V C 1.894 178.270 176.094 0.470 0.000 1.056 154 V CA 4.592 67.165 62.300 0.455 0.000 1.022 154 V CB -1.070 31.021 31.823 0.445 0.000 0.641 154 V HN -0.064 8.427 8.190 0.502 0.000 0.445 155 R N -2.073 118.673 120.500 0.410 0.000 2.091 155 R HA -0.436 nan 4.340 nan 0.000 0.238 155 R C 2.166 178.596 176.300 0.216 0.000 1.136 155 R CA 3.702 59.997 56.100 0.324 0.000 0.959 155 R CB -0.332 30.076 30.300 0.180 0.000 0.856 155 R HN -0.283 8.229 8.270 0.404 0.000 0.437 156 T N 1.559 116.197 114.554 0.141 0.000 2.737 156 T HA -0.254 nan 4.350 nan 0.000 0.265 156 T C 1.900 176.589 174.700 -0.018 0.000 1.038 156 T CA 4.961 67.090 62.100 0.049 0.000 1.144 156 T CB -0.457 68.426 68.868 0.024 0.000 0.866 156 T HN -0.531 7.801 8.240 0.154 0.000 0.434 157 F N 2.837 122.669 119.950 -0.196 0.000 2.102 157 F HA -0.419 nan 4.527 nan 0.000 0.298 157 F C 1.476 177.188 175.800 -0.148 0.000 1.105 157 F CA 3.484 61.306 58.000 -0.298 0.000 1.239 157 F CB 0.344 39.027 39.000 -0.528 0.000 0.991 157 F HN 0.130 8.368 8.300 0.022 0.075 0.474 158 F N -2.161 117.842 119.950 0.087 0.000 2.604 158 F HA -0.248 nan 4.527 nan 0.000 0.298 158 F C 1.949 177.745 175.800 -0.007 0.000 1.131 158 F CA 3.195 61.236 58.000 0.069 0.000 1.457 158 F CB -0.438 38.694 39.000 0.219 0.000 1.095 158 F HN 0.312 8.892 8.300 0.467 0.000 0.574 159 Q N -0.736 119.133 119.800 0.114 0.000 2.224 159 Q HA -0.253 nan 4.340 nan 0.000 0.203 159 Q C 2.575 178.532 176.000 -0.071 0.000 0.970 159 Q CA 2.339 58.169 55.803 0.045 0.000 0.865 159 Q CB -0.656 28.103 28.738 0.035 0.000 0.922 159 Q HN -0.304 8.006 8.270 0.121 0.032 0.445 160 R N -0.156 120.223 120.500 -0.201 0.000 2.237 160 R HA -0.181 nan 4.340 nan 0.000 0.219 160 R C 0.496 176.625 176.300 -0.286 0.000 1.080 160 R CA 2.638 58.539 56.100 -0.331 0.000 0.995 160 R CB -0.004 30.043 30.300 -0.423 0.000 0.875 160 R HN -0.520 7.580 8.270 -0.251 0.020 0.462 161 L N -4.397 116.798 121.223 -0.048 0.000 2.910 161 L HA 0.096 nan 4.340 nan 0.000 0.252 161 L C -1.236 175.848 176.870 0.357 0.000 1.195 161 L CA -1.193 53.826 54.840 0.298 0.000 1.003 161 L CB -0.383 41.877 42.059 0.335 0.000 1.328 161 L HN -0.724 7.304 8.230 -0.060 0.167 0.540 162 N N -2.040 116.775 118.700 0.192 0.000 2.759 162 N HA -0.428 nan 4.740 nan 0.000 0.277 162 N C -0.867 174.743 175.510 0.167 0.000 0.982 162 N CA 1.005 54.150 53.050 0.159 0.000 0.833 162 N CB -1.428 37.140 38.487 0.135 0.000 0.927 162 N HN -0.416 7.830 8.380 0.060 0.170 0.573 163 M N -0.825 118.891 119.600 0.194 0.000 2.238 163 M HA 0.225 nan 4.480 nan 0.000 0.350 163 M C -0.511 175.868 176.300 0.131 0.000 1.138 163 M CA -1.802 53.594 55.300 0.160 0.000 1.040 163 M CB 0.476 33.187 32.600 0.186 0.000 1.639 163 M HN -0.177 8.249 8.290 0.226 0.000 0.451 164 N N 3.820 122.576 118.700 0.094 0.000 2.514 164 N HA 0.106 nan 4.740 nan 0.000 0.299 164 N C -0.044 175.531 175.510 0.108 0.000 1.292 164 N CA -1.063 52.043 53.050 0.094 0.000 0.963 164 N CB 0.695 39.223 38.487 0.069 0.000 1.124 164 N HN 0.399 9.128 8.380 0.080 -0.300 0.580 165 D N -0.445 120.032 120.400 0.128 0.000 2.117 165 D HA -0.242 nan 4.640 nan 0.000 0.198 165 D C 2.293 178.704 176.300 0.186 0.000 0.982 165 D CA 4.296 58.435 54.000 0.231 0.000 0.828 165 D CB -0.351 40.545 40.800 0.160 0.000 0.967 165 D HN 0.405 8.830 8.370 0.092 0.000 0.464 166 R N 0.228 120.797 120.500 0.114 0.000 2.081 166 R HA -0.341 nan 4.340 nan 0.000 0.235 166 R C 1.839 178.213 176.300 0.124 0.000 1.131 166 R CA 3.184 59.349 56.100 0.107 0.000 0.960 166 R CB -0.228 30.127 30.300 0.091 0.000 0.856 166 R HN -0.228 8.099 8.270 0.094 0.000 0.436 167 E N -0.568 119.675 120.200 0.073 0.000 2.110 167 E HA -0.331 nan 4.350 nan 0.000 0.193 167 E C 2.827 179.381 176.600 -0.077 0.000 0.988 167 E CA 3.068 59.482 56.400 0.024 0.000 0.804 167 E CB -0.182 29.528 29.700 0.016 0.000 0.745 167 E HN -0.605 8.032 8.360 0.070 -0.234 0.458 168 V N 0.393 120.215 119.914 -0.152 0.000 2.358 168 V HA -0.284 nan 4.120 nan 0.000 0.246 168 V C 2.034 177.958 176.094 -0.283 0.000 1.047 168 V CA 4.351 66.394 62.300 -0.430 0.000 1.035 168 V CB -0.719 30.868 31.823 -0.393 0.000 0.658 168 V HN -0.061 8.098 8.190 -0.052 0.000 0.452 169 V N -0.830 119.026 119.914 -0.096 0.000 2.358 169 V HA -0.391 nan 4.120 nan 0.000 0.246 169 V C 1.850 178.115 176.094 0.286 0.000 1.047 169 V CA 4.282 66.607 62.300 0.041 0.000 1.035 169 V CB -1.448 30.415 31.823 0.066 0.000 0.658 169 V HN -0.265 7.904 8.190 -0.034 0.000 0.452 170 A N -0.309 122.738 122.820 0.378 0.000 1.908 170 A HA -0.250 nan 4.320 nan 0.000 0.218 170 A C 2.313 180.189 177.584 0.487 0.000 1.181 170 A CA 3.276 55.617 52.037 0.506 0.000 0.627 170 A CB -0.644 18.563 19.000 0.345 0.000 0.818 170 A HN 0.083 8.415 8.150 0.304 0.000 0.445 171 L N -2.128 119.197 121.223 0.170 0.000 2.141 171 L HA -0.219 nan 4.340 nan 0.000 0.209 171 L C 2.246 179.101 176.870 -0.025 0.000 1.094 171 L CA 2.501 57.396 54.840 0.091 0.000 0.763 171 L CB -0.031 41.953 42.059 -0.126 0.000 0.908 171 L HN -0.325 7.934 8.230 0.049 0.000 0.437 172 M N -0.034 119.459 119.600 -0.178 0.000 2.319 172 M HA -0.200 nan 4.480 nan 0.000 0.265 172 M C 2.035 177.837 176.300 -0.830 0.000 1.068 172 M CA 2.187 57.222 55.300 -0.443 0.000 1.118 172 M CB -0.426 31.977 32.600 -0.328 0.000 1.395 172 M HN -0.317 7.785 8.290 -0.107 0.123 0.435 173 G N -1.995 106.500 108.800 -0.508 0.000 2.479 173 G HA2 -0.343 nan 3.960 nan 0.000 0.220 173 G HA3 -0.343 nan 3.960 nan 0.000 0.220 173 G C 0.083 174.537 174.900 -0.743 0.000 1.115 173 G CA 1.800 46.434 45.100 -0.777 0.000 0.757 173 G HN -0.225 8.029 8.290 -0.024 0.021 0.560 174 A N 1.074 123.602 122.820 -0.487 0.000 2.248 174 A HA -0.013 nan 4.320 nan 0.000 0.210 174 A C 1.681 178.879 177.584 -0.643 0.000 1.174 174 A CA 1.139 52.870 52.037 -0.510 0.000 0.750 174 A CB -0.948 17.925 19.000 -0.212 0.000 0.780 174 A HN -0.586 7.409 8.150 -0.218 0.024 0.478 175 G N -2.325 105.886 108.800 -0.982 0.000 2.572 175 G HA2 -0.144 nan 3.960 nan 0.000 0.216 175 G HA3 -0.144 nan 3.960 nan 0.000 0.216 175 G C 0.158 174.386 174.900 -1.119 0.000 1.133 175 G CA 0.048 44.331 45.100 -1.362 0.000 0.791 175 G HN -0.237 7.213 8.290 -1.121 0.167 0.538 176 A N 0.328 122.739 122.820 -0.683 0.000 2.093 176 A HA -0.213 nan 4.320 nan 0.000 0.222 176 A C 0.274 177.762 177.584 -0.161 0.000 1.162 176 A CA 1.522 53.388 52.037 -0.286 0.000 0.655 176 A CB -0.113 18.691 19.000 -0.327 0.000 0.805 176 A HN -0.451 7.212 8.150 -0.812 0.000 0.461 177 L N -2.955 118.113 121.223 -0.259 0.000 2.312 177 L HA -0.092 nan 4.340 nan 0.000 0.281 177 L C 0.238 177.116 176.870 0.013 0.000 1.070 177 L CA -0.351 54.420 54.840 -0.115 0.000 0.805 177 L CB 0.331 42.304 42.059 -0.143 0.000 1.174 177 L HN -0.922 6.979 8.230 -0.432 0.070 0.434 178 G N 3.012 111.874 108.800 0.104 0.000 2.584 178 G HA2 -0.275 nan 3.960 nan 0.000 0.229 178 G HA3 -0.275 nan 3.960 nan 0.000 0.229 178 G C -2.689 172.376 174.900 0.276 0.000 1.320 178 G CA 0.128 45.337 45.100 0.182 0.000 0.891 178 G HN 0.563 8.780 8.290 0.071 0.116 0.573 179 K N -2.347 118.192 120.400 0.232 0.000 2.579 179 K HA 0.544 nan 4.320 nan 0.000 0.284 179 K C -1.976 174.509 176.600 -0.192 0.000 0.990 179 K CA -1.832 54.448 56.287 -0.011 0.000 0.880 179 K CB 3.401 35.790 32.500 -0.184 0.000 1.488 179 K HN -0.385 8.005 8.250 0.233 0.000 0.425 180 T N -3.135 111.184 114.554 -0.392 0.000 2.913 180 T HA 0.408 nan 4.350 nan 0.000 0.287 180 T C -0.006 174.443 174.700 -0.418 0.000 1.008 180 T CA -1.353 60.593 62.100 -0.257 0.000 1.067 180 T CB 0.986 69.760 68.868 -0.157 0.000 0.996 180 T HN 0.645 8.454 8.240 -0.559 0.096 0.513 181 H N 1.937 121.044 119.070 0.061 0.000 2.589 181 H HA 0.391 nan 4.556 nan 0.000 0.335 181 H C -0.069 175.284 175.328 0.042 0.000 1.019 181 H CA -1.003 55.066 56.048 0.036 0.000 1.213 181 H CB 1.561 31.343 29.762 0.033 0.000 1.472 181 H HN 0.342 8.693 8.280 0.119 0.000 0.508 182 L N 5.955 127.235 121.223 0.095 0.000 2.079 182 L HA -0.404 nan 4.340 nan 0.000 0.210 182 L C 0.798 177.699 176.870 0.053 0.000 1.081 182 L CA 3.973 58.843 54.840 0.050 0.000 0.752 182 L CB 0.287 42.352 42.059 0.010 0.000 0.896 182 L HN 0.103 8.671 8.230 0.065 -0.299 0.433 183 K N -2.281 118.162 120.400 0.070 0.000 2.155 183 K HA -0.283 nan 4.320 nan 0.000 0.203 183 K C 0.993 177.631 176.600 0.062 0.000 1.052 183 K CA 2.608 58.926 56.287 0.051 0.000 0.948 183 K CB -0.414 32.112 32.500 0.042 0.000 0.728 183 K HN 0.231 8.513 8.250 0.090 0.022 0.448 184 N N -2.383 116.378 118.700 0.101 0.000 2.182 184 N HA -0.075 nan 4.740 nan 0.000 0.186 184 N C 1.240 176.823 175.510 0.121 0.000 1.036 184 N CA 2.255 55.365 53.050 0.101 0.000 0.850 184 N CB 0.493 39.057 38.487 0.130 0.000 1.010 184 N HN -0.462 7.911 8.380 0.146 0.095 0.432 185 S N -3.985 111.814 115.700 0.165 0.000 2.523 185 S HA 0.154 nan 4.470 nan 0.000 0.217 185 S C 1.011 175.686 174.600 0.125 0.000 0.996 185 S CA -0.039 58.284 58.200 0.205 0.000 0.921 185 S CB 1.908 65.311 63.200 0.338 0.000 0.829 185 S HN -0.372 8.052 8.310 0.189 0.000 0.495 186 G N 0.421 109.223 108.800 0.004 0.000 2.159 186 G HA2 -0.395 nan 3.960 nan 0.000 0.256 186 G HA3 -0.395 nan 3.960 nan 0.000 0.256 186 G C -1.854 172.786 174.900 -0.432 0.000 0.977 186 G CA 0.525 45.505 45.100 -0.201 0.000 0.652 186 G HN -0.152 8.066 8.290 0.039 0.095 0.531 187 Y N -1.840 118.468 120.300 0.012 0.000 2.562 187 Y HA 0.290 nan 4.550 nan 0.000 0.343 187 Y C -1.629 174.240 175.900 -0.052 0.000 1.025 187 Y CA -1.816 56.273 58.100 -0.018 0.000 1.082 187 Y CB 2.455 40.911 38.460 -0.006 0.000 1.264 187 Y HN -0.894 7.394 8.280 0.139 0.075 0.478 188 E N 0.666 120.902 120.200 0.060 0.000 2.291 188 E HA 0.179 nan 4.350 nan 0.000 0.276 188 E C -1.473 175.067 176.600 -0.100 0.000 0.896 188 E CA -0.984 55.393 56.400 -0.038 0.000 0.774 188 E CB 3.324 33.006 29.700 -0.030 0.000 1.227 188 E HN -0.066 8.580 8.360 0.092 -0.232 0.413 189 G N 4.160 112.853 108.800 -0.179 0.000 2.334 189 G HA2 -0.126 nan 3.960 nan 0.000 0.566 189 G HA3 -0.126 nan 3.960 nan 0.000 0.566 189 G C -3.391 171.315 174.900 -0.324 0.000 1.413 189 G CA -0.513 44.475 45.100 -0.188 0.000 0.993 189 G HN -0.302 7.859 8.290 -0.216 0.000 0.642 190 P HA 0.543 nan 4.420 nan 0.000 0.281 190 P C -0.074 177.077 177.300 -0.249 0.000 1.264 190 P CA -1.276 61.706 63.100 -0.196 0.000 0.824 190 P CB 1.461 33.154 31.700 -0.013 0.000 1.092 191 W N -1.149 120.143 121.300 -0.015 0.000 2.770 191 W HA 0.022 nan 4.660 nan 0.000 0.256 191 W C -0.372 175.991 176.519 -0.261 0.000 1.291 191 W CA 1.623 58.961 57.345 -0.011 0.000 1.396 191 W CB 0.970 30.444 29.460 0.023 0.000 1.114 191 W HN 0.380 8.839 8.180 0.465 0.000 0.637 192 G N -6.117 102.515 108.800 -0.280 0.000 2.489 192 G HA2 0.149 nan 3.960 nan 0.000 0.305 192 G HA3 0.149 nan 3.960 nan 0.000 0.305 192 G C -1.883 172.727 174.900 -0.483 0.000 1.311 192 G CA -0.286 44.291 45.100 -0.873 0.000 0.813 192 G HN -0.900 7.306 8.290 -0.066 0.045 0.480 193 A N -0.642 121.977 122.820 -0.335 0.000 1.840 193 A HA -0.010 nan 4.320 nan 0.000 0.214 193 A C 1.122 178.701 177.584 -0.008 0.000 1.198 193 A CA 2.253 54.281 52.037 -0.015 0.000 0.608 193 A CB 0.713 19.759 19.000 0.076 0.000 0.839 193 A HN 0.096 8.305 8.150 -0.448 -0.327 0.443 194 A N -0.741 122.064 122.820 -0.026 0.000 3.029 194 A HA 0.067 nan 4.320 nan 0.000 0.251 194 A C -0.676 176.905 177.584 -0.005 0.000 1.749 194 A CA -1.097 50.939 52.037 -0.001 0.000 1.386 194 A CB -2.034 16.968 19.000 0.003 0.000 1.043 194 A HN -0.452 7.870 8.150 -0.053 -0.204 0.638 195 N N -0.620 118.086 118.700 0.011 0.000 2.627 195 N HA -0.262 nan 4.740 nan 0.000 0.196 195 N C -1.061 174.467 175.510 0.029 0.000 1.268 195 N CA 1.238 54.303 53.050 0.025 0.000 0.904 195 N CB -0.124 38.398 38.487 0.059 0.000 1.016 195 N HN 0.198 8.519 8.380 0.018 0.070 0.448 196 N N -4.354 114.365 118.700 0.031 0.000 2.261 196 N HA 0.084 nan 4.740 nan 0.000 0.241 196 N C -1.625 173.916 175.510 0.052 0.000 1.374 196 N CA -0.547 52.528 53.050 0.041 0.000 0.802 196 N CB -0.405 38.113 38.487 0.052 0.000 1.339 196 N HN -0.010 8.313 8.380 0.032 0.076 0.498 197 V N -0.150 119.794 119.914 0.050 0.000 2.680 197 V HA 0.391 nan 4.120 nan 0.000 0.309 197 V C -1.764 174.383 176.094 0.089 0.000 1.052 197 V CA -0.577 61.773 62.300 0.083 0.000 0.908 197 V CB 2.368 34.240 31.823 0.082 0.000 1.001 197 V HN -0.713 7.495 8.190 0.030 0.000 0.431 198 F N 7.701 127.647 119.950 -0.007 0.000 2.424 198 F HA 0.167 nan 4.527 nan 0.000 0.356 198 F C -0.902 175.021 175.800 0.205 0.000 1.110 198 F CA 0.314 58.305 58.000 -0.015 0.000 1.161 198 F CB 0.872 39.749 39.000 -0.206 0.000 1.115 198 F HN 0.656 9.108 8.300 0.253 0.000 0.507 199 T N 2.095 116.687 114.554 0.062 0.000 2.787 199 T HA 0.209 nan 4.350 nan 0.000 0.297 199 T C -1.263 173.537 174.700 0.168 0.000 1.221 199 T CA -2.021 60.214 62.100 0.226 0.000 1.006 199 T CB 2.856 71.776 68.868 0.088 0.000 1.328 199 T HN -0.224 7.845 8.240 -0.285 0.000 0.509 200 N N -2.586 116.210 118.700 0.161 0.000 2.434 200 N HA -0.084 nan 4.740 nan 0.000 0.196 200 N C 1.049 176.532 175.510 -0.044 0.000 1.183 200 N CA 0.244 53.304 53.050 0.017 0.000 0.849 200 N CB -1.365 37.193 38.487 0.118 0.000 0.992 200 N HN 0.326 8.793 8.380 0.146 0.000 0.460 201 E N 1.104 121.259 120.200 -0.075 0.000 2.147 201 E HA -0.427 nan 4.350 nan 0.000 0.199 201 E C 0.950 177.472 176.600 -0.129 0.000 1.005 201 E CA 3.179 59.532 56.400 -0.078 0.000 0.810 201 E CB -0.416 29.234 29.700 -0.083 0.000 0.736 201 E HN -0.791 7.435 8.360 -0.054 0.101 0.460 202 F N -0.303 119.371 119.950 -0.460 0.000 2.120 202 F HA -0.410 nan 4.527 nan 0.000 0.300 202 F C 1.662 177.140 175.800 -0.536 0.000 1.095 202 F CA 3.448 61.112 58.000 -0.560 0.000 1.249 202 F CB -0.152 38.319 39.000 -0.881 0.000 0.995 202 F HN -0.089 8.055 8.300 -0.259 0.000 0.480 203 Y N -3.098 117.128 120.300 -0.123 0.000 2.184 203 Y HA -0.374 nan 4.550 nan 0.000 0.290 203 Y C 2.224 178.051 175.900 -0.121 0.000 1.129 203 Y CA 3.578 61.579 58.100 -0.165 0.000 1.144 203 Y CB -0.720 37.682 38.460 -0.096 0.000 0.995 203 Y HN -0.594 7.248 8.280 -0.704 0.016 0.513 204 L N -1.167 120.090 121.223 0.058 0.000 2.046 204 L HA -0.554 nan 4.340 nan 0.000 0.208 204 L C 2.100 179.003 176.870 0.055 0.000 1.077 204 L CA 3.156 58.024 54.840 0.047 0.000 0.747 204 L CB -0.564 41.521 42.059 0.043 0.000 0.896 204 L HN -0.687 7.584 8.230 0.068 0.000 0.432 205 N N -0.812 117.918 118.700 0.051 0.000 2.120 205 N HA -0.289 nan 4.740 nan 0.000 0.188 205 N C 2.490 178.232 175.510 0.388 0.000 1.024 205 N CA 2.983 56.156 53.050 0.205 0.000 0.852 205 N CB -0.502 38.126 38.487 0.235 0.000 1.003 205 N HN -0.097 8.276 8.380 -0.011 0.000 0.424 206 L N -0.138 121.143 121.223 0.098 0.000 2.046 206 L HA -0.229 nan 4.340 nan 0.000 0.208 206 L C 2.194 179.135 176.870 0.120 0.000 1.077 206 L CA 3.139 57.973 54.840 -0.010 0.000 0.747 206 L CB -0.020 41.761 42.059 -0.463 0.000 0.896 206 L HN -0.423 7.723 8.230 -0.139 0.000 0.432 207 L N -2.846 118.412 121.223 0.057 0.000 2.341 207 L HA -0.270 nan 4.340 nan 0.000 0.214 207 L C 1.386 178.309 176.870 0.089 0.000 1.115 207 L CA 2.313 57.185 54.840 0.053 0.000 0.820 207 L CB -0.100 41.969 42.059 0.018 0.000 0.944 207 L HN -0.293 7.949 8.230 0.020 0.000 0.452 208 N N -4.187 114.574 118.700 0.103 0.000 2.220 208 N HA 0.043 nan 4.740 nan 0.000 0.195 208 N C -0.242 175.260 175.510 -0.013 0.000 1.123 208 N CA 0.097 53.174 53.050 0.046 0.000 0.874 208 N CB 1.412 39.919 38.487 0.034 0.000 0.995 208 N HN -0.173 8.189 8.380 0.133 0.097 0.498 209 E N -0.290 119.879 120.200 -0.051 0.000 2.280 209 E HA 0.095 nan 4.350 nan 0.000 0.264 209 E C -1.020 175.334 176.600 -0.410 0.000 1.064 209 E CA -0.785 55.390 56.400 -0.375 0.000 0.900 209 E CB 1.227 30.406 29.700 -0.867 0.000 1.123 209 E HN -0.718 7.714 8.360 0.120 0.000 0.418 210 D N 2.688 122.842 120.400 -0.409 0.000 2.499 210 D HA 0.104 nan 4.640 nan 0.000 0.225 210 D C -1.063 175.106 176.300 -0.218 0.000 1.124 210 D CA -1.788 52.100 54.000 -0.187 0.000 0.938 210 D CB -0.717 40.011 40.800 -0.120 0.000 1.014 210 D HN 0.191 8.303 8.370 -0.429 0.000 0.517 211 W N 1.728 123.117 121.300 0.148 0.000 2.218 211 W HA 0.012 nan 4.660 nan 0.000 0.326 211 W C -0.509 176.170 176.519 0.268 0.000 1.276 211 W CA -0.506 56.975 57.345 0.227 0.000 1.210 211 W CB 0.920 30.568 29.460 0.313 0.000 1.143 211 W HN -0.578 7.683 8.180 0.135 0.000 0.563 212 K N 2.530 123.177 120.400 0.410 0.000 2.471 212 K HA 0.306 nan 4.320 nan 0.000 0.252 212 K C -1.715 174.814 176.600 -0.118 0.000 0.938 212 K CA -1.677 54.706 56.287 0.160 0.000 0.796 212 K CB 3.447 35.976 32.500 0.049 0.000 1.161 212 K HN 0.634 9.021 8.250 0.412 0.110 0.425 213 L N 5.688 126.567 121.223 -0.574 0.000 2.360 213 L HA 0.228 nan 4.340 nan 0.000 0.276 213 L C -0.828 175.755 176.870 -0.477 0.000 1.121 213 L CA 0.526 54.755 54.840 -1.019 0.000 0.845 213 L CB 0.516 41.767 42.059 -1.345 0.000 1.143 213 L HN 0.380 8.351 8.230 -0.431 0.000 0.452 214 E N 6.358 126.337 120.200 -0.367 0.000 2.383 214 E HA 0.327 nan 4.350 nan 0.000 0.275 214 E C -1.999 174.495 176.600 -0.176 0.000 0.918 214 E CA -1.750 54.523 56.400 -0.210 0.000 0.764 214 E CB 4.124 33.745 29.700 -0.132 0.000 1.252 214 E HN 0.701 8.812 8.360 -0.415 0.000 0.449 215 K N 0.888 121.209 120.400 -0.132 0.000 2.107 215 K HA 0.300 nan 4.320 nan 0.000 0.251 215 K C -0.569 175.977 176.600 -0.089 0.000 1.012 215 K CA 0.209 56.432 56.287 -0.107 0.000 0.920 215 K CB 0.759 33.203 32.500 -0.093 0.000 1.033 215 K HN 0.153 8.329 8.250 -0.123 0.000 0.478 216 N N 1.679 120.325 118.700 -0.090 0.000 2.813 216 N HA 0.231 nan 4.740 nan 0.000 0.320 216 N C 0.612 176.073 175.510 -0.082 0.000 1.315 216 N CA -1.211 51.790 53.050 -0.081 0.000 0.871 216 N CB 0.853 39.292 38.487 -0.081 0.000 1.241 216 N HN 0.226 8.543 8.380 -0.105 0.000 0.602 217 D N -1.591 118.766 120.400 -0.071 0.000 2.263 217 D HA -0.200 nan 4.640 nan 0.000 0.208 217 D C 0.057 176.313 176.300 -0.074 0.000 0.971 217 D CA 3.088 57.050 54.000 -0.063 0.000 0.867 217 D CB -0.501 40.270 40.800 -0.049 0.000 0.929 217 D HN 0.551 8.882 8.370 -0.065 0.000 0.492 218 A N -2.563 120.194 122.820 -0.105 0.000 2.307 218 A HA 0.016 nan 4.320 nan 0.000 0.218 218 A C -0.516 176.991 177.584 -0.128 0.000 1.228 218 A CA -0.143 51.824 52.037 -0.118 0.000 0.857 218 A CB 0.381 19.285 19.000 -0.159 0.000 0.897 218 A HN -0.436 7.829 8.150 -0.122 -0.188 0.495 219 N N -5.299 113.330 118.700 -0.118 0.000 2.850 219 N HA -0.458 nan 4.740 nan 0.000 0.249 219 N C -1.352 174.083 175.510 -0.125 0.000 1.060 219 N CA 1.391 54.379 53.050 -0.104 0.000 0.825 219 N CB -1.372 37.068 38.487 -0.078 0.000 1.132 219 N HN -0.004 8.155 8.380 -0.109 0.155 0.564 220 N N -0.179 118.406 118.700 -0.192 0.000 2.487 220 N HA 0.175 nan 4.740 nan 0.000 0.292 220 N C -1.446 173.992 175.510 -0.119 0.000 1.108 220 N CA -0.140 52.779 53.050 -0.219 0.000 0.956 220 N CB 1.903 40.030 38.487 -0.600 0.000 1.176 220 N HN -0.428 8.032 8.380 -0.218 -0.211 0.484 221 E N -0.060 120.126 120.200 -0.024 0.000 2.313 221 E HA 0.346 nan 4.350 nan 0.000 0.272 221 E C -1.349 175.297 176.600 0.076 0.000 1.038 221 E CA -0.042 56.336 56.400 -0.036 0.000 0.863 221 E CB 1.319 30.963 29.700 -0.093 0.000 1.060 221 E HN 0.368 8.732 8.360 0.007 0.000 0.402 222 Q N -2.167 117.600 119.800 -0.055 0.000 2.522 222 Q HA 0.540 nan 4.340 nan 0.000 0.285 222 Q C -1.686 174.215 176.000 -0.164 0.000 0.982 222 Q CA -1.657 54.151 55.803 0.009 0.000 0.805 222 Q CB 3.613 32.444 28.738 0.154 0.000 1.457 222 Q HN 0.602 8.779 8.270 -0.156 0.000 0.394 223 W N 0.435 121.715 121.300 -0.032 0.000 2.342 223 W HA 0.124 nan 4.660 nan 0.000 0.310 223 W C -0.794 175.865 176.519 0.234 0.000 1.128 223 W CA -0.066 57.279 57.345 0.001 0.000 1.322 223 W CB 0.492 29.818 29.460 -0.224 0.000 1.251 223 W HN 0.192 8.557 8.180 0.309 0.000 0.439 224 D N 5.412 126.018 120.400 0.342 0.000 2.193 224 D HA 0.631 nan 4.640 nan 0.000 0.244 224 D C -0.629 175.786 176.300 0.192 0.000 1.064 224 D CA -0.708 53.452 54.000 0.267 0.000 0.845 224 D CB 2.381 43.229 40.800 0.080 0.000 1.148 224 D HN 0.436 8.915 8.370 0.182 0.000 0.464 225 S N 2.441 118.121 115.700 -0.033 0.000 2.722 225 S HA 0.580 nan 4.470 nan 0.000 0.292 225 S C 1.321 175.741 174.600 -0.301 0.000 1.135 225 S CA -1.614 56.356 58.200 -0.383 0.000 1.003 225 S CB 2.304 64.934 63.200 -0.949 0.000 1.067 225 S HN 0.255 8.599 8.310 0.057 0.000 0.546 226 K N 2.331 122.547 120.400 -0.307 0.000 2.152 226 K HA -0.234 nan 4.320 nan 0.000 0.206 226 K C 1.306 177.738 176.600 -0.279 0.000 1.048 226 K CA 2.653 58.797 56.287 -0.240 0.000 0.933 226 K CB -0.350 32.028 32.500 -0.204 0.000 0.721 226 K HN 0.678 8.728 8.250 -0.334 0.000 0.447 227 S N -2.477 112.964 115.700 -0.432 0.000 2.474 227 S HA -0.086 nan 4.470 nan 0.000 0.235 227 S C 0.726 174.988 174.600 -0.563 0.000 0.997 227 S CA 0.830 58.685 58.200 -0.576 0.000 0.949 227 S CB 0.461 63.050 63.200 -1.019 0.000 0.766 227 S HN -0.306 7.676 8.310 -0.483 0.038 0.517 228 G N -1.972 106.578 108.800 -0.417 0.000 2.179 228 G HA2 -0.357 nan 3.960 nan 0.000 0.220 228 G HA3 -0.357 nan 3.960 nan 0.000 0.220 228 G C -0.592 174.281 174.900 -0.046 0.000 0.990 228 G CA -0.100 44.878 45.100 -0.204 0.000 0.646 228 G HN -0.377 7.518 8.290 -0.375 0.170 0.517 229 Y N -0.492 119.790 120.300 -0.030 0.000 2.298 229 Y HA 0.108 nan 4.550 nan 0.000 0.329 229 Y C -0.950 175.038 175.900 0.146 0.000 1.293 229 Y CA -2.432 55.696 58.100 0.047 0.000 1.388 229 Y CB 0.627 39.167 38.460 0.134 0.000 1.309 229 Y HN -0.916 6.951 8.280 -0.592 0.058 0.544 230 M N -1.813 117.962 119.600 0.292 0.000 2.593 230 M HA 0.713 nan 4.480 nan 0.000 0.290 230 M C -1.714 174.581 176.300 -0.009 0.000 1.244 230 M CA -1.406 54.016 55.300 0.203 0.000 0.857 230 M CB 4.193 36.778 32.600 -0.025 0.000 1.738 230 M HN 0.500 8.877 8.290 0.145 0.000 0.461 231 M N -1.392 118.214 119.600 0.011 0.000 2.530 231 M HA 0.582 nan 4.480 nan 0.000 0.307 231 M C -1.483 174.867 176.300 0.084 0.000 1.161 231 M CA -1.796 53.485 55.300 -0.032 0.000 0.903 231 M CB 4.101 36.518 32.600 -0.305 0.000 1.711 231 M HN 0.663 9.051 8.290 0.163 0.000 0.451 232 L N 0.901 122.202 121.223 0.131 0.000 2.439 232 L HA 0.326 nan 4.340 nan 0.000 0.261 232 L C -0.954 176.019 176.870 0.172 0.000 1.153 232 L CA -1.809 53.054 54.840 0.039 0.000 0.808 232 L CB -1.179 40.822 42.059 -0.096 0.000 1.126 232 L HN 0.103 8.796 8.230 0.274 -0.298 0.460 233 P HA -0.325 nan 4.420 nan 0.000 0.217 233 P C 1.468 178.882 177.300 0.191 0.000 1.158 233 P CA 3.210 66.487 63.100 0.295 0.000 0.887 233 P CB -0.079 31.761 31.700 0.232 0.000 0.792 234 T N -6.318 108.308 114.554 0.120 0.000 2.833 234 T HA -0.339 nan 4.350 nan 0.000 0.269 234 T C 1.731 176.490 174.700 0.098 0.000 1.054 234 T CA 3.707 65.878 62.100 0.118 0.000 1.135 234 T CB -0.882 68.052 68.868 0.110 0.000 0.869 234 T HN 0.035 8.323 8.240 0.081 0.000 0.466 235 D N 1.826 122.287 120.400 0.101 0.000 2.123 235 D HA -0.157 nan 4.640 nan 0.000 0.200 235 D C 2.038 178.287 176.300 -0.085 0.000 0.976 235 D CA 2.892 56.947 54.000 0.092 0.000 0.831 235 D CB -0.333 40.592 40.800 0.208 0.000 0.974 235 D HN -0.404 7.915 8.370 0.116 0.120 0.469 236 Y N 1.949 122.086 120.300 -0.272 0.000 2.207 236 Y HA -0.438 nan 4.550 nan 0.000 0.287 236 Y C 1.719 177.426 175.900 -0.322 0.000 1.156 236 Y CA 3.471 61.261 58.100 -0.516 0.000 1.182 236 Y CB 0.086 38.022 38.460 -0.875 0.000 0.979 236 Y HN -0.209 8.108 8.280 0.060 0.000 0.521 237 S N 0.030 115.677 115.700 -0.090 0.000 2.413 237 S HA -0.433 nan 4.470 nan 0.000 0.237 237 S C 1.442 176.030 174.600 -0.020 0.000 1.044 237 S CA 4.279 62.472 58.200 -0.012 0.000 1.024 237 S CB -0.684 62.587 63.200 0.118 0.000 0.829 237 S HN -0.137 8.195 8.310 0.036 0.000 0.475 238 L N -2.513 118.651 121.223 -0.098 0.000 2.362 238 L HA -0.242 nan 4.340 nan 0.000 0.219 238 L C 0.536 177.357 176.870 -0.082 0.000 1.134 238 L CA 2.212 57.017 54.840 -0.058 0.000 0.807 238 L CB -0.197 41.770 42.059 -0.153 0.000 0.927 238 L HN -0.735 7.375 8.230 -0.145 0.034 0.447 239 I N -8.978 111.423 120.570 -0.282 0.000 3.860 239 I HA 0.029 nan 4.170 nan 0.000 0.319 239 I C 0.996 176.971 176.117 -0.237 0.000 1.279 239 I CA 0.732 61.857 61.300 -0.291 0.000 1.220 239 I CB 0.324 38.047 38.000 -0.462 0.000 1.027 239 I HN -0.173 7.655 8.210 -0.432 0.123 0.428 240 Q N 0.198 119.878 119.800 -0.200 0.000 2.269 240 Q HA -0.145 nan 4.340 nan 0.000 0.201 240 Q C 0.054 176.041 176.000 -0.021 0.000 0.946 240 Q CA 1.450 57.199 55.803 -0.090 0.000 0.877 240 Q CB 0.610 29.326 28.738 -0.037 0.000 0.963 240 Q HN -0.596 7.369 8.270 -0.229 0.167 0.472 241 D N -0.678 119.733 120.400 0.019 0.000 2.198 241 D HA 0.370 nan 4.640 nan 0.000 0.245 241 D C -1.117 175.168 176.300 -0.024 0.000 1.079 241 D CA -3.114 50.885 54.000 -0.001 0.000 0.854 241 D CB 1.970 42.764 40.800 -0.010 0.000 1.148 241 D HN -0.635 7.764 8.370 0.048 0.000 0.456 242 P HA -0.067 nan 4.420 nan 0.000 0.222 242 P C 1.066 178.332 177.300 -0.057 0.000 1.153 242 P CA 1.811 64.882 63.100 -0.049 0.000 0.798 242 P CB 0.554 32.227 31.700 -0.045 0.000 0.796 243 K N -0.491 119.847 120.400 -0.104 0.000 2.031 243 K HA -0.203 nan 4.320 nan 0.000 0.205 243 K C 2.742 179.327 176.600 -0.025 0.000 1.049 243 K CA 3.009 59.232 56.287 -0.107 0.000 0.939 243 K CB -0.220 32.164 32.500 -0.194 0.000 0.717 243 K HN -0.620 7.701 8.250 -0.142 -0.157 0.438 244 Y N -1.193 119.081 120.300 -0.044 0.000 2.145 244 Y HA -0.283 nan 4.550 nan 0.000 0.286 244 Y C 2.221 178.072 175.900 -0.082 0.000 1.145 244 Y CA 1.250 59.319 58.100 -0.052 0.000 1.148 244 Y CB -0.482 37.959 38.460 -0.030 0.000 0.981 244 Y HN -0.665 7.779 8.280 -0.162 -0.261 0.507 245 L N -1.201 120.073 121.223 0.086 0.000 2.081 245 L HA -0.445 nan 4.340 nan 0.000 0.212 245 L C 1.536 178.378 176.870 -0.048 0.000 1.080 245 L CA 3.204 58.038 54.840 -0.010 0.000 0.754 245 L CB -0.491 41.547 42.059 -0.036 0.000 0.893 245 L HN 0.211 8.498 8.230 0.095 0.000 0.433 246 S N -0.541 115.129 115.700 -0.050 0.000 2.383 246 S HA -0.283 nan 4.470 nan 0.000 0.227 246 S C 2.069 176.583 174.600 -0.143 0.000 1.026 246 S CA 3.381 61.532 58.200 -0.081 0.000 0.981 246 S CB -0.646 62.512 63.200 -0.069 0.000 0.818 246 S HN -0.507 7.784 8.310 -0.032 0.000 0.472 247 I N 1.698 122.169 120.570 -0.164 0.000 2.286 247 I HA -0.374 nan 4.170 nan 0.000 0.245 247 I C 1.320 177.151 176.117 -0.476 0.000 1.104 247 I CA 3.649 64.737 61.300 -0.354 0.000 1.397 247 I CB -0.108 37.728 38.000 -0.273 0.000 1.072 247 I HN -0.716 7.429 8.210 -0.086 0.014 0.417 248 V N 0.544 120.311 119.914 -0.244 0.000 2.278 248 V HA -0.617 nan 4.120 nan 0.000 0.251 248 V C 1.863 177.851 176.094 -0.177 0.000 1.062 248 V CA 4.920 67.121 62.300 -0.164 0.000 1.038 248 V CB -1.225 30.592 31.823 -0.009 0.000 0.646 248 V HN 0.304 8.417 8.190 -0.128 0.000 0.447 249 K N -2.289 118.029 120.400 -0.137 0.000 2.103 249 K HA -0.444 nan 4.320 nan 0.000 0.207 249 K C 2.180 178.713 176.600 -0.111 0.000 1.048 249 K CA 3.593 59.823 56.287 -0.096 0.000 0.930 249 K CB -0.445 32.010 32.500 -0.076 0.000 0.716 249 K HN -0.198 7.978 8.250 -0.124 0.000 0.444 250 E N -1.925 118.158 120.200 -0.195 0.000 2.110 250 E HA -0.290 nan 4.350 nan 0.000 0.193 250 E C 2.447 179.026 176.600 -0.035 0.000 0.988 250 E CA 2.985 59.290 56.400 -0.158 0.000 0.804 250 E CB 0.054 29.585 29.700 -0.280 0.000 0.745 250 E HN -0.566 7.616 8.360 -0.262 0.021 0.458 251 Y N -2.503 117.665 120.300 -0.221 0.000 2.397 251 Y HA -0.122 nan 4.550 nan 0.000 0.292 251 Y C 1.373 177.157 175.900 -0.193 0.000 1.115 251 Y CA -0.330 57.591 58.100 -0.299 0.000 1.208 251 Y CB -0.348 37.618 38.460 -0.823 0.000 1.046 251 Y HN -0.728 7.313 8.280 -0.366 0.020 0.552 252 A N -1.531 121.300 122.820 0.019 0.000 2.019 252 A HA -0.149 nan 4.320 nan 0.000 0.219 252 A C 0.955 178.566 177.584 0.046 0.000 1.164 252 A CA 2.060 54.144 52.037 0.078 0.000 0.644 252 A CB -0.081 18.960 19.000 0.069 0.000 0.805 252 A HN -0.296 7.821 8.150 -0.055 0.000 0.449 253 N N -4.284 114.434 118.700 0.030 0.000 2.254 253 N HA 0.014 nan 4.740 nan 0.000 0.190 253 N C -0.829 174.701 175.510 0.033 0.000 1.107 253 N CA 0.480 53.544 53.050 0.023 0.000 0.869 253 N CB 1.590 40.082 38.487 0.008 0.000 0.983 253 N HN -0.580 7.683 8.380 0.017 0.127 0.487 254 D N -0.176 120.261 120.400 0.061 0.000 2.337 254 D HA 0.214 nan 4.640 nan 0.000 0.238 254 D C -0.848 175.499 176.300 0.077 0.000 1.331 254 D CA -0.304 53.733 54.000 0.061 0.000 0.967 254 D CB 1.075 41.925 40.800 0.082 0.000 1.382 254 D HN -0.566 7.724 8.370 0.083 0.130 0.549 255 Q N 4.568 124.366 119.800 -0.003 0.000 2.170 255 Q HA -0.356 nan 4.340 nan 0.000 0.203 255 Q C 1.065 176.935 176.000 -0.218 0.000 0.976 255 Q CA 3.492 59.244 55.803 -0.085 0.000 0.858 255 Q CB 0.230 28.825 28.738 -0.238 0.000 0.907 255 Q HN 0.527 8.785 8.270 -0.019 0.000 0.433 256 D N -1.664 118.648 120.400 -0.147 0.000 2.144 256 D HA -0.200 nan 4.640 nan 0.000 0.200 256 D C 1.829 178.149 176.300 0.033 0.000 0.978 256 D CA 3.364 57.316 54.000 -0.080 0.000 0.833 256 D CB -0.512 40.264 40.800 -0.039 0.000 0.961 256 D HN -0.331 8.064 8.370 -0.102 -0.086 0.470 257 K N 0.584 121.030 120.400 0.076 0.000 2.057 257 K HA -0.205 nan 4.320 nan 0.000 0.207 257 K C 1.868 178.507 176.600 0.065 0.000 1.049 257 K CA 2.029 58.398 56.287 0.137 0.000 0.931 257 K CB -0.378 32.262 32.500 0.233 0.000 0.714 257 K HN -0.891 7.611 8.250 0.073 -0.208 0.440 258 F N 1.479 121.291 119.950 -0.230 0.000 2.069 258 F HA -0.390 nan 4.527 nan 0.000 0.298 258 F C 1.733 177.546 175.800 0.022 0.000 1.113 258 F CA 2.578 60.236 58.000 -0.570 0.000 1.214 258 F CB -0.261 38.522 39.000 -0.362 0.000 0.978 258 F HN -0.219 8.167 8.300 0.142 0.000 0.474 259 F N -1.607 118.096 119.950 -0.411 0.000 2.134 259 F HA -0.431 nan 4.527 nan 0.000 0.299 259 F C 2.303 177.993 175.800 -0.182 0.000 1.097 259 F CA 1.641 59.428 58.000 -0.354 0.000 1.264 259 F CB -0.971 37.935 39.000 -0.156 0.000 1.001 259 F HN 0.302 8.682 8.300 0.134 0.000 0.479 260 K N -0.101 120.351 120.400 0.087 0.000 2.032 260 K HA -0.462 nan 4.320 nan 0.000 0.209 260 K C 1.996 178.611 176.600 0.024 0.000 1.048 260 K CA 3.806 60.122 56.287 0.050 0.000 0.927 260 K CB -0.191 32.347 32.500 0.063 0.000 0.712 260 K HN -0.113 8.209 8.250 0.119 0.000 0.441 261 D N -1.180 119.235 120.400 0.024 0.000 2.194 261 D HA -0.158 nan 4.640 nan 0.000 0.204 261 D C 2.390 178.696 176.300 0.010 0.000 0.964 261 D CA 2.900 56.927 54.000 0.045 0.000 0.846 261 D CB -0.392 40.495 40.800 0.145 0.000 0.962 261 D HN -0.411 7.967 8.370 0.014 0.000 0.490 262 F N 1.504 121.349 119.950 -0.174 0.000 2.102 262 F HA -0.394 nan 4.527 nan 0.000 0.298 262 F C 1.377 177.130 175.800 -0.078 0.000 1.105 262 F CA 3.431 61.331 58.000 -0.166 0.000 1.239 262 F CB 0.400 39.148 39.000 -0.420 0.000 0.991 262 F HN 0.228 8.491 8.300 -0.061 0.000 0.474 263 S N -0.668 114.998 115.700 -0.055 0.000 2.365 263 S HA -0.483 nan 4.470 nan 0.000 0.221 263 S C 1.970 176.522 174.600 -0.081 0.000 1.037 263 S CA 4.137 62.306 58.200 -0.052 0.000 1.060 263 S CB -0.185 63.001 63.200 -0.022 0.000 0.974 263 S HN -0.259 8.065 8.310 0.024 0.000 0.427 264 K N 0.295 120.658 120.400 -0.061 0.000 2.044 264 K HA -0.386 nan 4.320 nan 0.000 0.210 264 K C 2.328 178.884 176.600 -0.074 0.000 1.049 264 K CA 3.213 59.468 56.287 -0.054 0.000 0.927 264 K CB -0.069 32.417 32.500 -0.024 0.000 0.713 264 K HN -0.630 7.596 8.250 -0.040 0.000 0.443 265 A N -1.242 121.516 122.820 -0.103 0.000 1.929 265 A HA -0.135 nan 4.320 nan 0.000 0.216 265 A C 1.994 179.509 177.584 -0.114 0.000 1.176 265 A CA 2.798 54.772 52.037 -0.104 0.000 0.628 265 A CB -0.670 18.267 19.000 -0.105 0.000 0.816 265 A HN -0.248 7.836 8.150 -0.109 0.000 0.444 266 F N 0.023 119.692 119.950 -0.468 0.000 2.163 266 F HA -0.325 nan 4.527 nan 0.000 0.297 266 F C 1.292 176.996 175.800 -0.160 0.000 1.094 266 F CA 2.324 60.077 58.000 -0.413 0.000 1.290 266 F CB 0.422 38.956 39.000 -0.777 0.000 1.017 266 F HN 0.368 8.372 8.300 -0.322 0.103 0.483 267 E N -0.137 119.978 120.200 -0.142 0.000 2.049 267 E HA -0.573 nan 4.350 nan 0.000 0.198 267 E C 1.821 178.329 176.600 -0.154 0.000 1.007 267 E CA 3.614 59.921 56.400 -0.155 0.000 0.809 267 E CB -0.233 29.412 29.700 -0.093 0.000 0.749 267 E HN -0.228 8.096 8.360 -0.061 0.000 0.450 268 K N -0.850 119.482 120.400 -0.112 0.000 2.020 268 K HA -0.370 nan 4.320 nan 0.000 0.212 268 K C 2.402 178.940 176.600 -0.103 0.000 1.050 268 K CA 3.067 59.299 56.287 -0.091 0.000 0.929 268 K CB -0.075 32.394 32.500 -0.051 0.000 0.714 268 K HN -0.760 7.432 8.250 -0.097 0.000 0.443 269 L N -1.778 119.403 121.223 -0.070 0.000 2.043 269 L HA -0.295 nan 4.340 nan 0.000 0.212 269 L C 1.850 178.657 176.870 -0.105 0.000 1.075 269 L CA 2.948 57.777 54.840 -0.019 0.000 0.752 269 L CB -0.066 42.055 42.059 0.103 0.000 0.891 269 L HN -0.167 8.027 8.230 -0.060 0.000 0.432 270 L N -4.514 116.589 121.223 -0.200 0.000 2.313 270 L HA -0.188 nan 4.340 nan 0.000 0.214 270 L C 1.679 178.481 176.870 -0.114 0.000 1.119 270 L CA 2.335 57.076 54.840 -0.166 0.000 0.809 270 L CB 0.127 42.050 42.059 -0.227 0.000 0.933 270 L HN -0.395 7.591 8.230 -0.268 0.083 0.449 271 E N -2.228 117.898 120.200 -0.124 0.000 2.481 271 E HA -0.057 nan 4.350 nan 0.000 0.198 271 E C -0.152 176.309 176.600 -0.231 0.000 1.027 271 E CA -0.043 56.319 56.400 -0.065 0.000 0.900 271 E CB 0.210 29.943 29.700 0.055 0.000 0.993 271 E HN -0.165 8.109 8.360 -0.143 0.000 0.482 272 N N 0.852 119.296 118.700 -0.426 0.000 2.411 272 N HA -0.201 nan 4.740 nan 0.000 0.261 272 N C 0.143 174.970 175.510 -1.139 0.000 1.248 272 N CA 1.809 54.296 53.050 -0.938 0.000 0.885 272 N CB -0.272 37.413 38.487 -1.336 0.000 1.062 272 N HN -0.720 7.461 8.380 -0.332 0.000 0.471 273 G N -0.386 107.856 108.800 -0.928 0.000 2.157 273 G HA2 -0.381 nan 3.960 nan 0.000 0.239 273 G HA3 -0.381 nan 3.960 nan 0.000 0.239 273 G C -1.361 173.415 174.900 -0.207 0.000 0.982 273 G CA 0.134 45.020 45.100 -0.357 0.000 0.650 273 G HN 0.288 8.120 8.290 -0.763 0.000 0.527 274 I N 0.483 120.846 120.570 -0.346 0.000 2.389 274 I HA 0.266 nan 4.170 nan 0.000 0.288 274 I C -1.230 174.529 176.117 -0.597 0.000 0.999 274 I CA -1.459 59.537 61.300 -0.505 0.000 1.129 274 I CB 1.072 38.690 38.000 -0.638 0.000 1.288 274 I HN -0.722 7.218 8.210 -0.370 0.048 0.444 275 T N 9.011 123.273 114.554 -0.486 0.000 2.771 275 T HA 0.330 nan 4.350 nan 0.000 0.291 275 T C -1.192 173.255 174.700 -0.421 0.000 0.954 275 T CA -0.479 61.414 62.100 -0.344 0.000 1.045 275 T CB 0.449 69.205 68.868 -0.187 0.000 0.917 275 T HN 0.818 8.802 8.240 -0.426 0.000 0.484 276 F N 6.277 126.180 119.950 -0.077 0.000 2.385 276 F HA 0.340 nan 4.527 nan 0.000 0.360 276 F C -1.414 174.345 175.800 -0.068 0.000 1.122 276 F CA -3.498 54.452 58.000 -0.084 0.000 1.090 276 F CB 0.163 39.088 39.000 -0.126 0.000 1.150 276 F HN 0.220 8.503 8.300 -0.028 0.000 0.472 277 P HA 0.042 nan 4.420 nan 0.000 0.271 277 P C -0.179 177.142 177.300 0.035 0.000 1.233 277 P CA -0.834 62.291 63.100 0.041 0.000 0.789 277 P CB 0.886 32.604 31.700 0.029 0.000 0.951 278 K N -0.031 120.376 120.400 0.013 0.000 2.410 278 K HA 0.016 nan 4.320 nan 0.000 0.200 278 K C -0.498 176.097 176.600 -0.008 0.000 1.023 278 K CA 0.863 57.148 56.287 -0.004 0.000 1.149 278 K CB -0.119 32.374 32.500 -0.011 0.000 0.859 278 K HN 0.311 8.567 8.250 0.009 0.000 0.514 279 D N -2.571 117.830 120.400 0.002 0.000 2.347 279 D HA -0.051 nan 4.640 nan 0.000 0.213 279 D C -0.179 176.121 176.300 -0.001 0.000 0.985 279 D CA -0.339 53.663 54.000 0.003 0.000 0.879 279 D CB -0.829 39.978 40.800 0.011 0.000 0.919 279 D HN -0.279 8.041 8.370 0.009 0.056 0.526 280 A N 2.228 125.046 122.820 -0.003 0.000 2.531 280 A HA 0.015 nan 4.320 nan 0.000 0.236 280 A C -1.363 176.171 177.584 -0.083 0.000 1.062 280 A CA -1.062 50.962 52.037 -0.021 0.000 0.760 280 A CB -0.346 18.659 19.000 0.007 0.000 0.995 280 A HN -0.620 7.364 8.150 0.006 0.169 0.501 281 P HA -0.079 nan 4.420 nan 0.000 0.264 281 P C -0.415 176.682 177.300 -0.338 0.000 1.183 281 P CA -0.103 62.890 63.100 -0.177 0.000 0.763 281 P CB 0.343 31.948 31.700 -0.158 0.000 0.807 282 S N 3.762 119.309 115.700 -0.255 0.000 2.559 282 S HA -0.056 nan 4.470 nan 0.000 0.282 282 S C -0.959 173.361 174.600 -0.467 0.000 1.336 282 S CA -0.041 57.982 58.200 -0.294 0.000 1.037 282 S CB -0.580 62.513 63.200 -0.178 0.000 0.853 282 S HN 0.080 8.299 8.310 -0.152 0.000 0.523 283 P HA -0.032 nan 4.420 nan 0.000 0.264 283 P C -1.211 175.924 177.300 -0.274 0.000 1.193 283 P CA 0.031 62.851 63.100 -0.466 0.000 0.763 283 P CB 0.334 31.820 31.700 -0.357 0.000 0.810 284 F N 4.303 124.088 119.950 -0.275 0.000 2.427 284 F HA 0.029 nan 4.527 nan 0.000 0.352 284 F C -0.186 175.331 175.800 -0.472 0.000 1.100 284 F CA -1.276 56.491 58.000 -0.388 0.000 1.191 284 F CB 0.650 39.397 39.000 -0.422 0.000 1.128 284 F HN 0.465 8.513 8.300 -0.420 0.000 0.533 285 I N 4.548 124.968 120.570 -0.250 0.000 2.347 285 I HA 0.105 nan 4.170 nan 0.000 0.283 285 I C -0.962 175.064 176.117 -0.152 0.000 1.058 285 I CA -1.908 59.281 61.300 -0.185 0.000 1.202 285 I CB -0.759 37.172 38.000 -0.115 0.000 1.386 285 I HN 0.467 8.520 8.210 -0.261 0.000 0.475 286 F N 6.667 126.646 119.950 0.048 0.000 2.484 286 F HA -0.095 nan 4.527 nan 0.000 0.360 286 F C -0.101 175.525 175.800 -0.290 0.000 1.101 286 F CA -0.250 57.652 58.000 -0.162 0.000 1.251 286 F CB 0.076 38.734 39.000 -0.569 0.000 1.132 286 F HN 0.211 8.398 8.300 -0.189 0.000 0.570 287 K N 4.320 124.710 120.400 -0.017 0.000 2.295 287 K HA 0.063 nan 4.320 nan 0.000 0.270 287 K C 0.043 176.567 176.600 -0.127 0.000 1.011 287 K CA 0.428 56.685 56.287 -0.050 0.000 0.953 287 K CB 0.476 32.988 32.500 0.021 0.000 0.956 287 K HN 0.022 8.352 8.250 0.133 0.000 0.477 288 T N -3.118 111.462 114.554 0.042 0.000 2.882 288 T HA 0.244 nan 4.350 nan 0.000 0.287 288 T C 1.547 176.344 174.700 0.162 0.000 1.014 288 T CA -1.261 60.949 62.100 0.184 0.000 1.049 288 T CB 1.430 70.385 68.868 0.145 0.000 1.001 288 T HN 0.099 8.717 8.240 0.043 -0.352 0.525 289 L N 1.704 123.041 121.223 0.191 0.000 2.064 289 L HA -0.487 nan 4.340 nan 0.000 0.216 289 L C 1.995 178.911 176.870 0.077 0.000 1.077 289 L CA 3.984 58.891 54.840 0.112 0.000 0.766 289 L CB -0.603 41.505 42.059 0.082 0.000 0.890 289 L HN -0.043 8.562 8.230 0.257 -0.221 0.435 290 E N -1.342 118.903 120.200 0.075 0.000 2.077 290 E HA -0.347 nan 4.350 nan 0.000 0.193 290 E C 2.791 179.423 176.600 0.053 0.000 0.989 290 E CA 2.970 59.405 56.400 0.059 0.000 0.800 290 E CB -0.533 29.203 29.700 0.059 0.000 0.746 290 E HN 0.183 8.583 8.360 0.088 0.012 0.452 291 E N -0.885 119.350 120.200 0.058 0.000 2.150 291 E HA -0.237 nan 4.350 nan 0.000 0.193 291 E C 2.233 178.859 176.600 0.043 0.000 0.985 291 E CA 2.289 58.718 56.400 0.047 0.000 0.814 291 E CB -0.003 29.724 29.700 0.046 0.000 0.752 291 E HN -0.443 7.867 8.360 0.070 0.091 0.466 292 Q N -3.672 116.156 119.800 0.047 0.000 2.425 292 Q HA -0.022 nan 4.340 nan 0.000 0.204 292 Q C 0.681 176.703 176.000 0.036 0.000 0.933 292 Q CA 0.079 55.906 55.803 0.040 0.000 0.939 292 Q CB 0.748 29.510 28.738 0.041 0.000 1.044 292 Q HN -0.334 7.864 8.270 0.056 0.106 0.513 293 G N -1.388 107.434 108.800 0.037 0.000 2.176 293 G HA2 -0.380 nan 3.960 nan 0.000 0.252 293 G HA3 -0.380 nan 3.960 nan 0.000 0.252 293 G C -0.781 174.138 174.900 0.032 0.000 1.024 293 G CA 0.457 45.576 45.100 0.032 0.000 0.755 293 G HN -0.454 7.684 8.290 0.042 0.177 0.507 294 L N 0.000 121.245 121.223 0.037 0.000 2.949 294 L HA 0.000 nan 4.340 nan 0.000 0.249 294 L CA 0.000 54.860 54.840 0.033 0.000 0.813 294 L CB 0.000 42.081 42.059 0.036 0.000 0.961 294 L HN 0.000 8.156 8.230 0.043 0.100 0.502