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 1ccg_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 0.000 176.663 176.870 -0.344 0.000 1.165 4 L CA 0.000 54.696 54.840 -0.240 0.000 0.813 4 L CB 0.000 41.866 42.059 -0.322 0.000 0.961 5 V N 1.669 121.372 119.914 -0.351 0.000 2.513 5 V HA 0.279 nan 4.120 nan 0.000 0.299 5 V C -1.052 174.744 176.094 -0.497 0.000 1.035 5 V CA -1.153 60.942 62.300 -0.342 0.000 0.889 5 V CB 1.556 33.267 31.823 -0.186 0.000 0.988 5 V HN 0.055 8.082 8.190 -0.271 0.000 0.440 6 H N 5.514 124.372 119.070 -0.353 0.000 2.866 6 H HA 0.261 nan 4.556 nan 0.000 0.287 6 H C -1.303 173.664 175.328 -0.603 0.000 1.106 6 H CA -1.045 54.576 56.048 -0.712 0.000 1.396 6 H CB 0.819 29.759 29.762 -1.370 0.000 1.469 6 H HN 0.471 8.535 8.280 -0.361 0.000 0.500 7 V N 3.586 123.387 119.914 -0.189 0.000 2.498 7 V HA 0.205 nan 4.120 nan 0.000 0.279 7 V C -0.600 175.500 176.094 0.010 0.000 1.048 7 V CA -0.768 61.460 62.300 -0.120 0.000 0.967 7 V CB 0.322 32.114 31.823 -0.052 0.000 0.988 7 V HN 0.436 8.565 8.190 -0.102 0.000 0.473 8 A N 8.454 131.203 122.820 -0.117 0.000 2.451 8 A HA 0.061 nan 4.320 nan 0.000 0.266 8 A C -1.276 176.342 177.584 0.055 0.000 1.119 8 A CA 0.329 52.347 52.037 -0.031 0.000 0.786 8 A CB 0.315 19.157 19.000 -0.263 0.000 1.061 8 A HN 0.702 8.681 8.150 -0.284 0.000 0.503 9 S N 4.410 120.166 115.700 0.093 0.000 2.566 9 S HA 0.094 nan 4.470 nan 0.000 0.324 9 S C -0.494 174.172 174.600 0.110 0.000 1.081 9 S CA -0.773 57.482 58.200 0.091 0.000 1.105 9 S CB 0.937 64.192 63.200 0.093 0.000 0.981 9 S HN -0.066 8.309 8.310 0.109 0.000 0.464 10 V N 6.560 126.549 119.914 0.124 0.000 2.694 10 V HA -0.173 nan 4.120 nan 0.000 0.306 10 V C -0.159 176.061 176.094 0.210 0.000 1.054 10 V CA 0.509 62.922 62.300 0.190 0.000 1.161 10 V CB 0.363 32.302 31.823 0.192 0.000 0.916 10 V HN 0.269 8.522 8.190 0.105 0.000 0.490 11 E N 5.022 125.409 120.200 0.311 0.000 2.493 11 E HA -0.167 nan 4.350 nan 0.000 0.255 11 E C -0.229 176.465 176.600 0.157 0.000 0.999 11 E CA 0.590 57.157 56.400 0.278 0.000 0.934 11 E CB 0.372 30.351 29.700 0.464 0.000 0.940 11 E HN 0.236 8.853 8.360 0.429 0.000 0.473 12 K N 6.258 126.720 120.400 0.103 0.000 2.437 12 K HA -0.352 nan 4.320 nan 0.000 0.277 12 K C 0.402 176.990 176.600 -0.021 0.000 1.073 12 K CA 1.666 57.981 56.287 0.047 0.000 1.105 12 K CB -0.099 32.427 32.500 0.043 0.000 0.881 12 K HN 0.485 8.807 8.250 0.120 0.000 0.475 13 G N 3.578 112.367 108.800 -0.018 0.000 2.194 13 G HA2 -0.288 nan 3.960 nan 0.000 0.236 13 G HA3 -0.288 nan 3.960 nan 0.000 0.236 13 G C -0.260 174.569 174.900 -0.118 0.000 0.987 13 G CA -0.160 44.900 45.100 -0.066 0.000 0.635 13 G HN 0.245 8.550 8.290 0.025 0.000 0.520 14 R N 0.830 121.257 120.500 -0.121 0.000 2.404 14 R HA 0.378 nan 4.340 nan 0.000 0.291 14 R C -0.694 175.656 176.300 0.083 0.000 1.025 14 R CA -2.295 53.678 56.100 -0.211 0.000 0.991 14 R CB 0.471 30.454 30.300 -0.529 0.000 1.053 14 R HN -0.288 7.897 8.270 -0.046 0.056 0.479 15 S N 3.719 119.448 115.700 0.049 0.000 2.801 15 S HA 0.387 nan 4.470 nan 0.000 0.312 15 S C 0.290 175.037 174.600 0.245 0.000 1.112 15 S CA -1.341 56.996 58.200 0.228 0.000 0.943 15 S CB 1.847 65.124 63.200 0.128 0.000 1.269 15 S HN 0.138 8.685 8.310 -0.110 -0.303 0.558 16 Y N 2.045 122.315 120.300 -0.050 0.000 2.114 16 Y HA -0.442 nan 4.550 nan 0.000 0.282 16 Y C 1.096 176.938 175.900 -0.097 0.000 1.165 16 Y CA 3.884 61.724 58.100 -0.433 0.000 1.148 16 Y CB 0.050 38.271 38.460 -0.399 0.000 0.972 16 Y HN 0.433 8.887 8.280 0.290 0.000 0.504 17 E N -3.151 116.908 120.200 -0.235 0.000 2.153 17 E HA -0.389 nan 4.350 nan 0.000 0.194 17 E C 2.450 178.926 176.600 -0.206 0.000 0.988 17 E CA 3.346 59.585 56.400 -0.268 0.000 0.811 17 E CB -0.915 28.726 29.700 -0.099 0.000 0.746 17 E HN 0.242 8.599 8.360 -0.004 0.000 0.466 18 D N -0.116 120.171 120.400 -0.188 0.000 2.097 18 D HA -0.229 nan 4.640 nan 0.000 0.197 18 D C 2.380 178.598 176.300 -0.138 0.000 0.984 18 D CA 3.430 57.304 54.000 -0.209 0.000 0.826 18 D CB -0.136 40.325 40.800 -0.565 0.000 0.973 18 D HN -0.568 7.686 8.370 -0.166 0.016 0.460 19 F N -0.761 119.225 119.950 0.061 0.000 2.146 19 F HA -0.257 nan 4.527 nan 0.000 0.298 19 F C 2.008 177.569 175.800 -0.399 0.000 1.096 19 F CA 3.251 61.248 58.000 -0.004 0.000 1.275 19 F CB -0.363 38.833 39.000 0.326 0.000 1.008 19 F HN -0.886 7.391 8.300 -0.038 0.000 0.480 20 Q N -0.737 118.904 119.800 -0.264 0.000 2.181 20 Q HA -0.387 nan 4.340 nan 0.000 0.205 20 Q C 1.985 177.806 176.000 -0.298 0.000 0.980 20 Q CA 3.169 58.712 55.803 -0.434 0.000 0.862 20 Q CB -0.630 27.810 28.738 -0.497 0.000 0.905 20 Q HN 0.244 8.376 8.270 -0.229 0.000 0.429 21 K N -0.649 119.609 120.400 -0.237 0.000 2.097 21 K HA -0.291 nan 4.320 nan 0.000 0.205 21 K C 2.466 178.810 176.600 -0.427 0.000 1.050 21 K CA 3.381 59.560 56.287 -0.179 0.000 0.938 21 K CB -0.190 32.313 32.500 0.005 0.000 0.718 21 K HN -0.536 7.585 8.250 -0.215 0.000 0.442 22 V N 0.199 119.682 119.914 -0.718 0.000 2.427 22 V HA -0.332 nan 4.120 nan 0.000 0.248 22 V C 1.698 177.475 176.094 -0.529 0.000 1.051 22 V CA 4.229 65.944 62.300 -0.975 0.000 1.048 22 V CB -1.150 30.161 31.823 -0.853 0.000 0.666 22 V HN -0.606 7.166 8.190 -0.550 0.088 0.456 23 Y N 0.215 120.150 120.300 -0.609 0.000 2.070 23 Y HA -0.595 nan 4.550 nan 0.000 0.279 23 Y C 1.416 177.120 175.900 -0.327 0.000 1.134 23 Y CA 3.759 61.529 58.100 -0.551 0.000 1.113 23 Y CB -0.042 37.917 38.460 -0.834 0.000 0.981 23 Y HN 0.178 8.184 8.280 -0.455 0.000 0.487 24 N N -0.952 117.786 118.700 0.065 0.000 2.096 24 N HA -0.604 nan 4.740 nan 0.000 0.195 24 N C 2.107 177.584 175.510 -0.054 0.000 1.017 24 N CA 3.154 56.223 53.050 0.032 0.000 0.870 24 N CB -0.190 38.311 38.487 0.023 0.000 1.024 24 N HN -0.015 8.415 8.380 0.083 0.000 0.434 25 A N 0.108 122.879 122.820 -0.083 0.000 1.858 25 A HA -0.269 nan 4.320 nan 0.000 0.216 25 A C 2.023 179.541 177.584 -0.110 0.000 1.190 25 A CA 3.015 55.027 52.037 -0.041 0.000 0.617 25 A CB -0.576 18.473 19.000 0.081 0.000 0.827 25 A HN -0.104 7.970 8.150 -0.126 0.000 0.443 26 I N -1.335 119.130 120.570 -0.175 0.000 2.163 26 I HA -0.607 nan 4.170 nan 0.000 0.243 26 I C 1.922 177.983 176.117 -0.092 0.000 1.085 26 I CA 4.028 65.250 61.300 -0.129 0.000 1.347 26 I CB -0.238 37.642 38.000 -0.199 0.000 1.044 26 I HN -0.209 7.862 8.210 -0.231 0.000 0.408 27 A N -0.329 122.366 122.820 -0.210 0.000 1.933 27 A HA -0.258 nan 4.320 nan 0.000 0.218 27 A C 2.024 179.586 177.584 -0.038 0.000 1.175 27 A CA 3.304 55.248 52.037 -0.154 0.000 0.628 27 A CB -0.665 18.211 19.000 -0.206 0.000 0.814 27 A HN 0.273 8.240 8.150 -0.305 0.000 0.444 28 L N -2.088 119.115 121.223 -0.034 0.000 2.093 28 L HA -0.254 nan 4.340 nan 0.000 0.208 28 L C 2.044 178.907 176.870 -0.011 0.000 1.085 28 L CA 2.208 57.040 54.840 -0.012 0.000 0.755 28 L CB -1.149 40.899 42.059 -0.018 0.000 0.904 28 L HN -0.125 8.071 8.230 -0.057 0.000 0.435 29 K N -0.024 120.351 120.400 -0.042 0.000 2.288 29 K HA -0.212 nan 4.320 nan 0.000 0.201 29 K C 2.538 179.223 176.600 0.143 0.000 1.048 29 K CA 3.071 59.315 56.287 -0.072 0.000 0.956 29 K CB -0.230 32.053 32.500 -0.363 0.000 0.746 29 K HN -0.456 7.753 8.250 -0.069 0.000 0.461 30 L N -0.977 120.380 121.223 0.224 0.000 2.027 30 L HA -0.354 nan 4.340 nan 0.000 0.206 30 L C 1.740 178.693 176.870 0.137 0.000 1.074 30 L CA 2.951 57.921 54.840 0.215 0.000 0.745 30 L CB -0.333 41.776 42.059 0.083 0.000 0.898 30 L HN -0.111 8.118 8.230 0.157 0.095 0.433 31 R N -2.205 118.346 120.500 0.085 0.000 2.083 31 R HA -0.344 nan 4.340 nan 0.000 0.237 31 R C 2.155 178.498 176.300 0.072 0.000 1.137 31 R CA 2.742 58.883 56.100 0.069 0.000 0.951 31 R CB 0.100 30.429 30.300 0.048 0.000 0.851 31 R HN -0.439 7.871 8.270 0.067 0.000 0.434 32 E N -1.949 118.288 120.200 0.061 0.000 2.072 32 E HA -0.184 nan 4.350 nan 0.000 0.190 32 E C 2.095 178.740 176.600 0.074 0.000 0.982 32 E CA 2.344 58.775 56.400 0.051 0.000 0.803 32 E CB 0.189 29.898 29.700 0.015 0.000 0.755 32 E HN -0.390 8.000 8.360 0.050 0.000 0.453 33 D N 0.700 121.175 120.400 0.124 0.000 3.038 33 D HA 0.170 nan 4.640 nan 0.000 0.243 33 D C -0.158 176.251 176.300 0.182 0.000 1.245 33 D CA -0.541 53.568 54.000 0.182 0.000 0.871 33 D CB -1.740 39.231 40.800 0.285 0.000 1.089 33 D HN -0.264 8.192 8.370 0.143 0.000 0.464 34 D N -1.550 118.894 120.400 0.073 0.000 2.371 34 D HA -0.276 nan 4.640 nan 0.000 0.221 34 D C 0.166 176.311 176.300 -0.259 0.000 0.986 34 D CA 2.071 56.073 54.000 0.003 0.000 0.899 34 D CB -0.337 40.493 40.800 0.051 0.000 0.902 34 D HN -0.340 7.977 8.370 0.070 0.094 0.530 35 E N -2.445 117.513 120.200 -0.403 0.000 2.285 35 E HA -0.292 nan 4.350 nan 0.000 0.194 35 E C 0.306 176.577 176.600 -0.548 0.000 0.997 35 E CA 0.302 56.107 56.400 -0.991 0.000 0.845 35 E CB -0.955 28.414 29.700 -0.551 0.000 0.782 35 E HN 0.084 8.283 8.360 -0.177 0.055 0.491 36 Y N 3.877 123.977 120.300 -0.334 0.000 2.712 36 Y HA -0.353 nan 4.550 nan 0.000 0.333 36 Y C -1.202 174.538 175.900 -0.267 0.000 1.225 36 Y CA 1.917 59.825 58.100 -0.319 0.000 1.499 36 Y CB 0.411 38.499 38.460 -0.620 0.000 1.288 36 Y HN -0.973 7.249 8.280 -0.017 0.048 0.575 37 D N 6.762 126.604 120.400 -0.929 0.000 2.812 37 D HA -0.490 nan 4.640 nan 0.000 0.237 37 D C -1.135 175.037 176.300 -0.214 0.000 1.162 37 D CA 0.720 54.337 54.000 -0.639 0.000 0.740 37 D CB -0.879 39.494 40.800 -0.711 0.000 1.000 37 D HN 0.376 8.106 8.370 -1.067 0.000 0.416 38 N N -1.719 116.931 118.700 -0.084 0.000 2.714 38 N HA -0.399 nan 4.740 nan 0.000 0.252 38 N C -0.973 174.695 175.510 0.264 0.000 1.014 38 N CA 1.130 54.256 53.050 0.126 0.000 0.735 38 N CB -1.132 37.399 38.487 0.074 0.000 0.924 38 N HN 0.377 8.686 8.380 -0.118 0.000 0.540 39 Y N -9.556 110.731 120.300 -0.021 0.000 4.409 39 Y HA -0.461 nan 4.550 nan 0.000 0.228 39 Y C 0.138 176.052 175.900 0.023 0.000 1.108 39 Y CA 1.297 59.407 58.100 0.017 0.000 1.955 39 Y CB -2.462 36.012 38.460 0.023 0.000 1.615 39 Y HN -0.069 8.027 8.280 -0.152 0.093 0.665 40 I N -2.524 118.075 120.570 0.048 0.000 2.500 40 I HA -0.230 nan 4.170 nan 0.000 0.252 40 I C 0.607 176.755 176.117 0.052 0.000 1.142 40 I CA 1.750 63.081 61.300 0.053 0.000 1.451 40 I CB 0.632 38.653 38.000 0.035 0.000 1.093 40 I HN -0.582 7.462 8.210 0.001 0.167 0.430 41 G N -2.415 106.406 108.800 0.035 0.000 2.756 41 G HA2 -0.264 nan 3.960 nan 0.000 0.678 41 G HA3 -0.264 nan 3.960 nan 0.000 0.678 41 G C -0.714 174.236 174.900 0.083 0.000 1.349 41 G CA -0.642 44.504 45.100 0.076 0.000 0.847 41 G HN -0.372 7.908 8.290 -0.017 0.000 0.548 42 Y N -0.215 120.047 120.300 -0.063 0.000 2.546 42 Y HA -0.106 nan 4.550 nan 0.000 0.287 42 Y C 1.444 177.166 175.900 -0.297 0.000 1.158 42 Y CA 1.834 59.746 58.100 -0.313 0.000 1.307 42 Y CB -0.216 37.718 38.460 -0.878 0.000 1.036 42 Y HN 0.503 8.930 8.280 0.246 0.000 0.532 43 G N 0.151 108.919 108.800 -0.052 0.000 2.476 43 G HA2 -0.320 nan 3.960 nan 0.000 0.218 43 G HA3 -0.320 nan 3.960 nan 0.000 0.218 43 G C -1.274 173.620 174.900 -0.011 0.000 1.164 43 G CA 2.349 47.415 45.100 -0.057 0.000 0.768 43 G HN 0.643 8.870 8.290 -0.006 0.059 0.560 44 P HA -0.191 nan 4.420 nan 0.000 0.215 44 P C 0.779 178.124 177.300 0.075 0.000 1.157 44 P CA 2.737 65.878 63.100 0.068 0.000 0.863 44 P CB -0.563 31.199 31.700 0.104 0.000 0.787 45 V N -3.615 116.344 119.914 0.074 0.000 2.759 45 V HA -0.244 nan 4.120 nan 0.000 0.256 45 V C 1.504 177.600 176.094 0.004 0.000 1.080 45 V CA 2.706 65.041 62.300 0.059 0.000 1.101 45 V CB -0.663 31.209 31.823 0.081 0.000 0.698 45 V HN -0.138 8.103 8.190 0.085 0.000 0.477 46 L N -1.265 119.942 121.223 -0.027 0.000 2.162 46 L HA -0.172 nan 4.340 nan 0.000 0.205 46 L C 1.805 178.707 176.870 0.052 0.000 1.086 46 L CA 3.047 57.864 54.840 -0.037 0.000 0.778 46 L CB -0.407 41.581 42.059 -0.117 0.000 0.928 46 L HN -0.492 7.684 8.230 -0.041 0.029 0.446 47 V N -0.959 119.003 119.914 0.081 0.000 2.719 47 V HA -0.315 nan 4.120 nan 0.000 0.252 47 V C 1.187 177.437 176.094 0.259 0.000 1.065 47 V CA 3.241 65.652 62.300 0.186 0.000 1.086 47 V CB -0.673 31.204 31.823 0.089 0.000 0.700 47 V HN 0.131 8.270 8.190 0.045 0.078 0.467 48 R N 0.577 121.188 120.500 0.184 0.000 2.075 48 R HA -0.304 nan 4.340 nan 0.000 0.232 48 R C 1.777 178.132 176.300 0.092 0.000 1.126 48 R CA 3.461 59.704 56.100 0.239 0.000 0.963 48 R CB -0.045 30.317 30.300 0.104 0.000 0.858 48 R HN -0.101 8.243 8.270 0.123 0.000 0.435 49 L N -0.943 120.253 121.223 -0.046 0.000 2.012 49 L HA -0.320 nan 4.340 nan 0.000 0.210 49 L C 1.141 177.955 176.870 -0.093 0.000 1.073 49 L CA 3.115 57.834 54.840 -0.202 0.000 0.748 49 L CB -0.447 41.466 42.059 -0.244 0.000 0.891 49 L HN 0.019 8.120 8.230 -0.028 0.112 0.431 50 A N -1.422 121.451 122.820 0.089 0.000 1.933 50 A HA -0.294 nan 4.320 nan 0.000 0.218 50 A C 1.949 179.661 177.584 0.213 0.000 1.175 50 A CA 2.856 54.989 52.037 0.161 0.000 0.628 50 A CB -0.854 18.305 19.000 0.264 0.000 0.814 50 A HN -0.396 7.828 8.150 0.123 0.000 0.444 51 W N -1.126 120.310 121.300 0.226 0.000 2.409 51 W HA -0.407 nan 4.660 nan 0.000 0.299 51 W C 1.290 177.954 176.519 0.242 0.000 1.203 51 W CA 3.041 60.548 57.345 0.270 0.000 1.298 51 W CB -0.008 29.665 29.460 0.355 0.000 1.127 51 W HN -0.447 8.039 8.180 0.511 0.000 0.528 52 H N -0.887 117.786 119.070 -0.661 0.000 2.423 52 H HA -0.344 nan 4.556 nan 0.000 0.297 52 H C 2.298 177.386 175.328 -0.400 0.000 1.075 52 H CA 3.314 58.929 56.048 -0.721 0.000 1.342 52 H CB 0.819 30.279 29.762 -0.505 0.000 1.395 52 H HN -0.413 7.826 8.280 -0.069 0.000 0.530 53 I N -5.292 115.185 120.570 -0.156 0.000 2.617 53 I HA -0.186 nan 4.170 nan 0.000 0.256 53 I C 1.340 177.454 176.117 -0.004 0.000 1.167 53 I CA 2.383 63.648 61.300 -0.057 0.000 1.469 53 I CB -0.098 37.905 38.000 0.005 0.000 1.098 53 I HN -0.325 7.792 8.210 -0.155 0.000 0.436 54 S N 1.346 117.032 115.700 -0.023 0.000 2.425 54 S HA -0.117 nan 4.470 nan 0.000 0.225 54 S C 2.405 177.025 174.600 0.033 0.000 1.024 54 S CA 3.817 62.026 58.200 0.015 0.000 0.951 54 S CB -0.013 63.217 63.200 0.051 0.000 0.796 54 S HN -0.488 7.807 8.310 -0.026 0.000 0.498 55 G N 0.565 109.288 108.800 -0.128 0.000 2.920 55 G HA2 -0.027 nan 3.960 nan 0.000 0.208 55 G HA3 -0.027 nan 3.960 nan 0.000 0.208 55 G C -0.593 174.277 174.900 -0.050 0.000 1.159 55 G CA 1.529 46.547 45.100 -0.137 0.000 0.784 55 G HN 0.072 8.187 8.290 -0.291 0.000 0.535 56 T N -2.896 111.643 114.554 -0.025 0.000 3.148 56 T HA -0.052 nan 4.350 nan 0.000 0.253 56 T C 0.163 174.937 174.700 0.124 0.000 1.134 56 T CA -1.016 61.105 62.100 0.035 0.000 1.051 56 T CB -0.967 67.930 68.868 0.047 0.000 0.959 56 T HN -0.298 7.851 8.240 -0.049 0.062 0.525 57 W N 2.467 123.743 121.300 -0.040 0.000 2.210 57 W HA -0.196 nan 4.660 nan 0.000 0.330 57 W C -2.038 174.436 176.519 -0.075 0.000 1.334 57 W CA 0.605 57.930 57.345 -0.032 0.000 1.227 57 W CB 0.574 30.024 29.460 -0.017 0.000 1.178 57 W HN -0.785 7.484 8.180 0.269 0.073 0.560 58 D N 7.857 127.953 120.400 -0.507 0.000 2.440 58 D HA 0.292 nan 4.640 nan 0.000 0.239 58 D C 0.293 175.791 176.300 -1.337 0.000 1.084 58 D CA -1.659 51.897 54.000 -0.738 0.000 0.843 58 D CB 2.050 42.643 40.800 -0.345 0.000 1.097 58 D HN 0.321 8.503 8.370 -0.312 0.000 0.531 59 K N 6.041 125.438 120.400 -1.671 0.000 2.442 59 K HA -0.311 nan 4.320 nan 0.000 0.199 59 K C 0.927 177.061 176.600 -0.777 0.000 1.044 59 K CA 1.950 57.326 56.287 -1.519 0.000 0.941 59 K CB -0.246 31.609 32.500 -1.076 0.000 0.759 59 K HN 0.274 7.650 8.250 -1.457 0.000 0.472 60 H N -1.500 117.312 119.070 -0.429 0.000 2.465 60 H HA -0.019 nan 4.556 nan 0.000 0.289 60 H C 0.822 176.037 175.328 -0.189 0.000 1.022 60 H CA 1.416 57.317 56.048 -0.244 0.000 1.340 60 H CB 0.681 30.327 29.762 -0.193 0.000 1.437 60 H HN -0.180 7.889 8.280 -0.710 -0.215 0.539 61 D N -4.428 115.908 120.400 -0.106 0.000 2.527 61 D HA -0.057 nan 4.640 nan 0.000 0.224 61 D C 0.511 176.768 176.300 -0.072 0.000 1.217 61 D CA -0.761 53.197 54.000 -0.071 0.000 0.819 61 D CB 0.197 40.971 40.800 -0.043 0.000 1.061 61 D HN -0.592 7.654 8.370 -0.207 0.000 0.515 62 N N -1.994 116.635 118.700 -0.117 0.000 2.708 62 N HA -0.369 nan 4.740 nan 0.000 0.251 62 N C -0.656 174.981 175.510 0.211 0.000 1.123 62 N CA 0.834 53.934 53.050 0.084 0.000 0.739 62 N CB -0.731 37.804 38.487 0.079 0.000 1.113 62 N HN -0.090 8.136 8.380 -0.257 0.000 0.561 63 T N -5.610 108.995 114.554 0.085 0.000 2.849 63 T HA 0.350 nan 4.350 nan 0.000 0.284 63 T C -0.053 174.779 174.700 0.221 0.000 1.004 63 T CA -1.357 60.838 62.100 0.159 0.000 1.021 63 T CB 1.698 70.608 68.868 0.070 0.000 1.013 63 T HN -0.628 7.776 8.240 -0.041 -0.188 0.527 64 G N 3.373 112.305 108.800 0.220 0.000 2.645 64 G HA2 -0.500 nan 3.960 nan 0.000 0.246 64 G HA3 -0.500 nan 3.960 nan 0.000 0.246 64 G C -0.628 174.448 174.900 0.294 0.000 1.322 64 G CA -0.202 45.031 45.100 0.222 0.000 0.898 64 G HN 0.388 8.795 8.290 0.194 0.000 0.573 65 G N -1.046 107.898 108.800 0.240 0.000 2.710 65 G HA2 -0.300 nan 3.960 nan 0.000 0.668 65 G HA3 -0.300 nan 3.960 nan 0.000 0.668 65 G C 0.507 175.458 174.900 0.085 0.000 1.320 65 G CA -0.431 44.752 45.100 0.139 0.000 0.860 65 G HN -0.128 8.305 8.290 0.198 -0.024 0.538 66 S N 0.766 116.486 115.700 0.035 0.000 2.481 66 S HA -0.279 nan 4.470 nan 0.000 0.231 66 S C 1.434 176.086 174.600 0.086 0.000 0.996 66 S CA 2.510 60.755 58.200 0.075 0.000 0.942 66 S CB 0.330 63.563 63.200 0.054 0.000 0.768 66 S HN 0.513 8.803 8.310 -0.033 0.000 0.520 67 Y N 4.227 124.468 120.300 -0.098 0.000 2.069 67 Y HA -0.417 nan 4.550 nan 0.000 0.278 67 Y C 0.583 176.436 175.900 -0.079 0.000 1.175 67 Y CA 3.144 61.156 58.100 -0.147 0.000 1.134 67 Y CB -0.041 38.206 38.460 -0.355 0.000 0.965 67 Y HN 0.148 8.442 8.280 0.096 0.043 0.498 68 G N -6.601 102.214 108.800 0.025 0.000 3.042 68 G HA2 -0.060 nan 3.960 nan 0.000 0.212 68 G HA3 -0.060 nan 3.960 nan 0.000 0.212 68 G C -0.494 174.454 174.900 0.081 0.000 1.166 68 G CA -0.589 44.528 45.100 0.027 0.000 0.767 68 G HN -0.019 8.338 8.290 0.113 0.000 0.546 69 G N -0.395 108.471 108.800 0.109 0.000 2.321 69 G HA2 -0.481 nan 3.960 nan 0.000 0.287 69 G HA3 -0.481 nan 3.960 nan 0.000 0.287 69 G C 1.130 176.190 174.900 0.267 0.000 1.018 69 G CA 1.200 46.419 45.100 0.198 0.000 0.855 69 G HN -0.498 7.779 8.290 0.090 0.067 0.507 70 T N -2.916 111.822 114.554 0.306 0.000 3.051 70 T HA -0.310 nan 4.350 nan 0.000 0.269 70 T C 0.977 175.882 174.700 0.341 0.000 1.127 70 T CA 1.957 64.296 62.100 0.399 0.000 1.107 70 T CB -0.972 68.145 68.868 0.415 0.000 0.898 70 T HN 0.218 8.598 8.240 0.280 0.028 0.517 71 Y N 4.072 124.488 120.300 0.193 0.000 2.315 71 Y HA -0.378 nan 4.550 nan 0.000 0.288 71 Y C 0.031 175.960 175.900 0.049 0.000 1.154 71 Y CA 1.596 59.753 58.100 0.095 0.000 1.229 71 Y CB -0.605 37.810 38.460 -0.074 0.000 0.980 71 Y HN -0.525 7.990 8.280 0.475 0.050 0.540 72 R N -2.774 117.686 120.500 -0.067 0.000 2.159 72 R HA -0.319 nan 4.340 nan 0.000 0.237 72 R C 0.793 176.803 176.300 -0.483 0.000 1.131 72 R CA 1.683 57.577 56.100 -0.345 0.000 0.982 72 R CB -0.328 29.849 30.300 -0.205 0.000 0.868 72 R HN -0.809 7.564 8.270 0.209 0.022 0.453 73 F N -0.649 119.254 119.950 -0.079 0.000 2.429 73 F HA 0.096 nan 4.527 nan 0.000 0.348 73 F C 1.017 176.764 175.800 -0.087 0.000 1.109 73 F CA -0.738 57.217 58.000 -0.074 0.000 1.232 73 F CB 0.226 39.227 39.000 0.002 0.000 1.157 73 F HN -0.509 7.517 8.300 -0.201 0.154 0.564 74 K N 3.964 124.437 120.400 0.121 0.000 2.059 74 K HA -0.487 nan 4.320 nan 0.000 0.212 74 K C 1.943 178.609 176.600 0.110 0.000 1.050 74 K CA 4.186 60.517 56.287 0.072 0.000 0.927 74 K CB -0.713 31.820 32.500 0.055 0.000 0.714 74 K HN 0.768 9.118 8.250 0.166 0.000 0.447 75 K N -1.306 119.159 120.400 0.109 0.000 2.032 75 K HA -0.296 nan 4.320 nan 0.000 0.209 75 K C 1.611 178.274 176.600 0.104 0.000 1.048 75 K CA 3.170 59.511 56.287 0.089 0.000 0.927 75 K CB -0.261 32.281 32.500 0.070 0.000 0.712 75 K HN -0.072 8.248 8.250 0.118 0.000 0.441 76 E N -1.715 118.567 120.200 0.136 0.000 2.158 76 E HA -0.209 nan 4.350 nan 0.000 0.191 76 E C 2.434 179.104 176.600 0.117 0.000 0.982 76 E CA 1.987 58.477 56.400 0.150 0.000 0.823 76 E CB 0.134 29.961 29.700 0.212 0.000 0.766 76 E HN -0.404 8.056 8.360 0.166 0.000 0.468 77 F N 1.095 120.931 119.950 -0.190 0.000 2.186 77 F HA -0.276 nan 4.527 nan 0.000 0.299 77 F C 0.740 176.457 175.800 -0.138 0.000 1.090 77 F CA 3.308 61.059 58.000 -0.415 0.000 1.307 77 F CB 0.482 39.131 39.000 -0.586 0.000 1.019 77 F HN 0.038 8.406 8.300 0.113 0.000 0.489 78 N N -2.882 115.855 118.700 0.062 0.000 2.370 78 N HA -0.062 nan 4.740 nan 0.000 0.198 78 N C -1.016 174.511 175.510 0.028 0.000 1.156 78 N CA 0.275 53.346 53.050 0.035 0.000 0.839 78 N CB 0.389 38.926 38.487 0.085 0.000 0.989 78 N HN -0.435 8.028 8.380 0.139 0.000 0.468 79 D N 2.438 122.861 120.400 0.038 0.000 2.487 79 D HA 0.070 nan 4.640 nan 0.000 0.243 79 D C -0.187 176.140 176.300 0.044 0.000 1.154 79 D CA -1.489 52.542 54.000 0.051 0.000 0.876 79 D CB 0.646 41.489 40.800 0.072 0.000 1.161 79 D HN -0.676 7.534 8.370 0.043 0.186 0.478 80 P HA -0.232 nan 4.420 nan 0.000 0.216 80 P C 1.201 178.544 177.300 0.073 0.000 1.154 80 P CA 2.500 65.631 63.100 0.052 0.000 0.865 80 P CB 0.218 31.948 31.700 0.051 0.000 0.789 81 S N -3.149 112.602 115.700 0.086 0.000 2.500 81 S HA -0.270 nan 4.470 nan 0.000 0.239 81 S C 0.917 175.636 174.600 0.199 0.000 0.989 81 S CA 2.836 61.113 58.200 0.128 0.000 0.951 81 S CB -0.531 62.715 63.200 0.078 0.000 0.759 81 S HN -0.369 8.143 8.310 0.072 -0.159 0.523 82 N N 0.384 119.164 118.700 0.134 0.000 2.280 82 N HA 0.068 nan 4.740 nan 0.000 0.192 82 N C -1.426 174.082 175.510 -0.003 0.000 1.109 82 N CA -0.831 52.280 53.050 0.101 0.000 0.855 82 N CB 0.376 38.929 38.487 0.110 0.000 0.974 82 N HN -0.155 8.091 8.380 0.092 0.189 0.482 83 A N -0.693 122.138 122.820 0.018 0.000 2.580 83 A HA -0.268 nan 4.320 nan 0.000 0.244 83 A C 0.328 177.908 177.584 -0.007 0.000 1.045 83 A CA 1.907 53.942 52.037 -0.002 0.000 0.761 83 A CB -0.678 18.343 19.000 0.034 0.000 0.962 83 A HN -0.317 7.804 8.150 0.055 0.062 0.512 84 G N 3.324 112.106 108.800 -0.029 0.000 2.254 84 G HA2 -0.398 nan 3.960 nan 0.000 0.225 84 G HA3 -0.398 nan 3.960 nan 0.000 0.225 84 G C 1.141 176.031 174.900 -0.017 0.000 1.003 84 G CA 0.698 45.787 45.100 -0.018 0.000 0.622 84 G HN 0.432 8.924 8.290 -0.047 -0.230 0.507 85 L N 1.143 122.327 121.223 -0.065 0.000 2.478 85 L HA -0.284 nan 4.340 nan 0.000 0.223 85 L C 0.779 177.676 176.870 0.045 0.000 1.140 85 L CA 1.694 56.493 54.840 -0.069 0.000 0.842 85 L CB -0.572 41.364 42.059 -0.205 0.000 0.953 85 L HN -0.383 7.720 8.230 -0.088 0.074 0.452 86 Q N -1.109 118.695 119.800 0.007 0.000 2.226 86 Q HA -0.382 nan 4.340 nan 0.000 0.204 86 Q C 2.181 178.355 176.000 0.290 0.000 0.975 86 Q CA 3.583 59.477 55.803 0.153 0.000 0.866 86 Q CB -1.000 27.798 28.738 0.101 0.000 0.915 86 Q HN 0.470 8.637 8.270 -0.072 0.060 0.440 87 N N -0.140 118.680 118.700 0.200 0.000 2.188 87 N HA -0.222 nan 4.740 nan 0.000 0.184 87 N C 2.136 177.778 175.510 0.220 0.000 1.018 87 N CA 2.937 56.117 53.050 0.217 0.000 0.858 87 N CB -0.433 38.161 38.487 0.179 0.000 0.989 87 N HN -0.611 7.832 8.380 0.140 0.021 0.426 88 G N 0.019 108.920 108.800 0.169 0.000 2.408 88 G HA2 -0.235 nan 3.960 nan 0.000 0.217 88 G HA3 -0.235 nan 3.960 nan 0.000 0.217 88 G C 1.021 176.056 174.900 0.226 0.000 1.150 88 G CA 1.657 46.829 45.100 0.119 0.000 0.776 88 G HN -0.288 7.981 8.290 0.136 0.102 0.542 89 F N 2.892 122.942 119.950 0.166 0.000 2.075 89 F HA -0.312 nan 4.527 nan 0.000 0.297 89 F C 1.193 177.121 175.800 0.214 0.000 1.113 89 F CA 2.589 60.748 58.000 0.264 0.000 1.218 89 F CB 0.275 39.547 39.000 0.453 0.000 0.984 89 F HN -0.211 8.343 8.300 0.423 0.000 0.472 90 K N -2.569 117.962 120.400 0.217 0.000 2.152 90 K HA -0.423 nan 4.320 nan 0.000 0.206 90 K C 1.928 178.491 176.600 -0.061 0.000 1.048 90 K CA 2.809 59.116 56.287 0.033 0.000 0.933 90 K CB -0.226 32.354 32.500 0.134 0.000 0.721 90 K HN -0.142 8.360 8.250 0.420 0.000 0.447 91 F N -1.296 118.513 119.950 -0.234 0.000 2.134 91 F HA -0.270 nan 4.527 nan 0.000 0.299 91 F C 0.673 176.300 175.800 -0.289 0.000 1.097 91 F CA 2.758 60.509 58.000 -0.415 0.000 1.264 91 F CB 0.646 39.246 39.000 -0.666 0.000 1.001 91 F HN -0.659 7.711 8.300 0.115 0.000 0.479 92 L N -3.495 117.733 121.223 0.010 0.000 2.270 92 L HA -0.230 nan 4.340 nan 0.000 0.210 92 L C 1.596 178.359 176.870 -0.178 0.000 1.104 92 L CA 1.715 56.525 54.840 -0.050 0.000 0.804 92 L CB -0.108 42.018 42.059 0.112 0.000 0.937 92 L HN -0.500 7.702 8.230 0.104 0.090 0.450 93 E N 0.515 120.552 120.200 -0.272 0.000 2.086 93 E HA -0.297 nan 4.350 nan 0.000 0.200 93 E C -1.051 175.443 176.600 -0.177 0.000 1.012 93 E CA 5.613 61.846 56.400 -0.279 0.000 0.812 93 E CB -1.643 27.822 29.700 -0.392 0.000 0.743 93 E HN -0.114 8.059 8.360 -0.312 0.000 0.453 94 P HA -0.190 nan 4.420 nan 0.000 0.217 94 P C 1.468 178.680 177.300 -0.147 0.000 1.148 94 P CA 2.635 65.628 63.100 -0.178 0.000 0.828 94 P CB -0.503 31.066 31.700 -0.218 0.000 0.783 95 I N -2.168 118.316 120.570 -0.143 0.000 2.500 95 I HA -0.430 nan 4.170 nan 0.000 0.252 95 I C 1.487 177.637 176.117 0.054 0.000 1.142 95 I CA 3.520 64.796 61.300 -0.041 0.000 1.451 95 I CB -0.241 37.699 38.000 -0.099 0.000 1.093 95 I HN -0.387 7.579 8.210 -0.198 0.125 0.430 96 H N 1.175 120.167 119.070 -0.130 0.000 2.357 96 H HA -0.338 nan 4.556 nan 0.000 0.301 96 H C 1.641 176.879 175.328 -0.150 0.000 1.082 96 H CA 2.873 58.832 56.048 -0.148 0.000 1.342 96 H CB 0.421 30.081 29.762 -0.170 0.000 1.389 96 H HN -0.213 7.984 8.280 -0.014 0.075 0.511 97 K N -3.185 117.174 120.400 -0.069 0.000 2.152 97 K HA -0.224 nan 4.320 nan 0.000 0.206 97 K C 1.165 177.659 176.600 -0.175 0.000 1.048 97 K CA 1.658 57.861 56.287 -0.140 0.000 0.933 97 K CB -0.095 32.326 32.500 -0.133 0.000 0.721 97 K HN -0.427 7.789 8.250 -0.057 0.000 0.447 98 E N -1.520 118.554 120.200 -0.211 0.000 2.152 98 E HA -0.180 nan 4.350 nan 0.000 0.192 98 E C 0.109 176.299 176.600 -0.682 0.000 0.983 98 E CA 2.191 58.325 56.400 -0.444 0.000 0.818 98 E CB 1.018 30.399 29.700 -0.533 0.000 0.758 98 E HN -0.697 7.481 8.360 -0.146 0.095 0.467 99 F N -2.753 117.077 119.950 -0.201 0.000 2.449 99 F HA 0.467 nan 4.527 nan 0.000 0.344 99 F C -2.169 173.343 175.800 -0.479 0.000 1.180 99 F CA -2.979 54.773 58.000 -0.414 0.000 1.209 99 F CB -0.204 38.409 39.000 -0.645 0.000 1.440 99 F HN -0.438 7.847 8.300 -0.024 0.000 0.526 100 P HA -0.128 nan 4.420 nan 0.000 0.226 100 P C -0.361 176.893 177.300 -0.076 0.000 1.153 100 P CA 1.433 64.423 63.100 -0.184 0.000 0.777 100 P CB -0.256 31.377 31.700 -0.112 0.000 0.794 101 W N -5.621 115.706 121.300 0.045 0.000 2.519 101 W HA -0.103 nan 4.660 nan 0.000 0.266 101 W C -0.669 175.918 176.519 0.112 0.000 1.253 101 W CA -1.457 55.920 57.345 0.054 0.000 1.274 101 W CB -0.522 28.958 29.460 0.033 0.000 1.114 101 W HN -0.537 7.614 8.180 0.019 0.040 0.596 102 I N 2.354 122.734 120.570 -0.318 0.000 2.648 102 I HA -0.114 nan 4.170 nan 0.000 0.284 102 I C -0.036 176.150 176.117 0.115 0.000 1.153 102 I CA 0.025 61.245 61.300 -0.133 0.000 1.426 102 I CB 1.201 38.899 38.000 -0.503 0.000 1.381 102 I HN -0.788 6.948 8.210 -0.790 0.000 0.571 103 S N 7.747 123.527 115.700 0.133 0.000 2.584 103 S HA 0.030 nan 4.470 nan 0.000 0.270 103 S C 1.220 175.752 174.600 -0.113 0.000 1.346 103 S CA 0.688 58.917 58.200 0.048 0.000 1.018 103 S CB 0.959 64.162 63.200 0.004 0.000 0.899 103 S HN 0.088 8.840 8.310 0.224 -0.308 0.542 104 S N 4.483 120.074 115.700 -0.182 0.000 2.359 104 S HA -0.372 nan 4.470 nan 0.000 0.223 104 S C 1.954 176.151 174.600 -0.671 0.000 1.039 104 S CA 4.626 62.474 58.200 -0.586 0.000 1.042 104 S CB -0.309 62.620 63.200 -0.451 0.000 0.915 104 S HN 0.154 8.755 8.310 -0.064 -0.329 0.439 105 G N -0.453 108.194 108.800 -0.255 0.000 2.442 105 G HA2 -0.340 nan 3.960 nan 0.000 0.219 105 G HA3 -0.340 nan 3.960 nan 0.000 0.219 105 G C 0.924 175.842 174.900 0.030 0.000 1.141 105 G CA 1.993 47.065 45.100 -0.047 0.000 0.763 105 G HN -0.315 7.862 8.290 -0.188 0.000 0.554 106 D N 2.366 122.789 120.400 0.039 0.000 2.144 106 D HA -0.130 nan 4.640 nan 0.000 0.200 106 D C 2.145 178.562 176.300 0.195 0.000 0.978 106 D CA 2.922 57.098 54.000 0.293 0.000 0.833 106 D CB -0.226 40.821 40.800 0.411 0.000 0.961 106 D HN -0.668 7.687 8.370 -0.025 0.000 0.470 107 L N 0.648 121.800 121.223 -0.117 0.000 2.027 107 L HA -0.303 nan 4.340 nan 0.000 0.206 107 L C 1.545 178.401 176.870 -0.023 0.000 1.074 107 L CA 3.437 58.140 54.840 -0.228 0.000 0.745 107 L CB -0.217 41.501 42.059 -0.569 0.000 0.898 107 L HN -0.309 7.705 8.230 -0.240 0.072 0.433 108 F N -2.836 117.116 119.950 0.003 0.000 2.126 108 F HA -0.389 nan 4.527 nan 0.000 0.299 108 F C 2.336 178.167 175.800 0.052 0.000 1.096 108 F CA 1.724 59.747 58.000 0.038 0.000 1.255 108 F CB -1.263 37.777 39.000 0.067 0.000 0.997 108 F HN 0.268 8.338 8.300 -0.384 0.000 0.479 109 S N -0.724 115.153 115.700 0.295 0.000 2.414 109 S HA -0.259 nan 4.470 nan 0.000 0.227 109 S C 2.226 176.933 174.600 0.178 0.000 1.022 109 S CA 2.893 61.252 58.200 0.266 0.000 0.958 109 S CB 0.451 63.870 63.200 0.365 0.000 0.797 109 S HN -0.371 8.112 8.310 0.289 0.000 0.493 110 L N 2.529 123.764 121.223 0.020 0.000 2.217 110 L HA -0.093 nan 4.340 nan 0.000 0.211 110 L C 1.518 178.263 176.870 -0.209 0.000 1.107 110 L CA 1.778 56.389 54.840 -0.381 0.000 0.783 110 L CB -0.444 41.199 42.059 -0.694 0.000 0.919 110 L HN 0.048 8.352 8.230 0.124 0.000 0.442 111 G N -1.217 107.535 108.800 -0.080 0.000 2.476 111 G HA2 -0.476 nan 3.960 nan 0.000 0.218 111 G HA3 -0.476 nan 3.960 nan 0.000 0.218 111 G C 0.844 175.733 174.900 -0.018 0.000 1.164 111 G CA 2.765 47.835 45.100 -0.050 0.000 0.768 111 G HN 0.394 8.669 8.290 -0.026 0.000 0.560 112 G N 0.502 109.358 108.800 0.093 0.000 2.421 112 G HA2 -0.328 nan 3.960 nan 0.000 0.216 112 G HA3 -0.328 nan 3.960 nan 0.000 0.216 112 G C 1.103 176.145 174.900 0.237 0.000 1.171 112 G CA 1.871 47.106 45.100 0.225 0.000 0.775 112 G HN -0.689 7.669 8.290 0.113 0.000 0.543 113 V N 2.552 122.590 119.914 0.207 0.000 2.287 113 V HA -0.466 nan 4.120 nan 0.000 0.248 113 V C 2.333 178.474 176.094 0.079 0.000 1.053 113 V CA 4.335 66.752 62.300 0.195 0.000 1.027 113 V CB -0.701 31.216 31.823 0.157 0.000 0.646 113 V HN -0.479 7.801 8.190 0.150 0.000 0.447 114 T N 0.925 115.422 114.554 -0.096 0.000 2.708 114 T HA -0.334 nan 4.350 nan 0.000 0.266 114 T C 1.397 175.961 174.700 -0.227 0.000 1.037 114 T CA 4.897 66.773 62.100 -0.374 0.000 1.146 114 T CB -0.679 67.763 68.868 -0.709 0.000 0.865 114 T HN 0.038 8.198 8.240 -0.134 0.000 0.435 115 A N 1.082 123.814 122.820 -0.147 0.000 1.873 115 A HA -0.308 nan 4.320 nan 0.000 0.218 115 A C 1.687 179.213 177.584 -0.096 0.000 1.193 115 A CA 3.346 55.322 52.037 -0.103 0.000 0.629 115 A CB -0.908 18.051 19.000 -0.070 0.000 0.826 115 A HN 0.100 8.172 8.150 -0.130 0.000 0.447 116 V N -1.147 118.691 119.914 -0.128 0.000 2.261 116 V HA -0.557 nan 4.120 nan 0.000 0.246 116 V C 2.428 178.363 176.094 -0.266 0.000 1.047 116 V CA 4.689 66.811 62.300 -0.297 0.000 1.015 116 V CB -0.965 30.598 31.823 -0.434 0.000 0.642 116 V HN -0.240 7.903 8.190 -0.077 0.000 0.446 117 Q N -1.907 117.821 119.800 -0.120 0.000 2.084 117 Q HA -0.342 nan 4.340 nan 0.000 0.202 117 Q C 3.186 179.191 176.000 0.009 0.000 0.978 117 Q CA 3.233 59.016 55.803 -0.034 0.000 0.844 117 Q CB -0.226 28.602 28.738 0.149 0.000 0.898 117 Q HN -0.179 8.054 8.270 -0.061 0.000 0.426 118 E N -0.479 119.724 120.200 0.005 0.000 2.208 118 E HA -0.192 nan 4.350 nan 0.000 0.193 118 E C 1.395 178.004 176.600 0.014 0.000 0.988 118 E CA 1.803 58.211 56.400 0.014 0.000 0.828 118 E CB -0.190 29.490 29.700 -0.034 0.000 0.763 118 E HN -0.196 8.147 8.360 -0.028 0.000 0.478 119 M N -1.520 118.077 119.600 -0.006 0.000 2.729 119 M HA 0.074 nan 4.480 nan 0.000 0.229 119 M C -1.302 175.036 176.300 0.063 0.000 1.280 119 M CA 0.252 55.573 55.300 0.035 0.000 1.012 119 M CB -0.640 31.990 32.600 0.050 0.000 1.603 119 M HN -0.196 8.070 8.290 -0.041 0.000 0.452 120 Q N -5.515 114.312 119.800 0.044 0.000 2.489 120 Q HA -0.412 nan 4.340 nan 0.000 0.259 120 Q C -0.138 175.885 176.000 0.038 0.000 0.934 120 Q CA 1.011 56.861 55.803 0.078 0.000 1.131 120 Q CB -3.058 25.764 28.738 0.141 0.000 1.472 120 Q HN -0.165 8.012 8.270 0.028 0.109 0.560 121 G N 1.208 109.888 108.800 -0.200 0.000 2.535 121 G HA2 0.174 nan 3.960 nan 0.000 0.282 121 G HA3 0.174 nan 3.960 nan 0.000 0.282 121 G C -2.099 172.398 174.900 -0.672 0.000 1.350 121 G CA -1.167 43.513 45.100 -0.700 0.000 1.039 121 G HN -0.153 7.989 8.290 -0.189 0.035 0.509 122 P HA -0.013 nan 4.420 nan 0.000 0.272 122 P C -1.188 175.972 177.300 -0.233 0.000 1.240 122 P CA -0.607 62.227 63.100 -0.444 0.000 0.791 122 P CB 0.800 32.243 31.700 -0.429 0.000 0.978 123 K N -0.369 119.979 120.400 -0.086 0.000 2.416 123 K HA -0.049 nan 4.320 nan 0.000 0.283 123 K C -0.491 176.108 176.600 -0.003 0.000 1.037 123 K CA -0.413 55.862 56.287 -0.019 0.000 0.995 123 K CB -0.055 32.447 32.500 0.003 0.000 0.938 123 K HN 0.043 8.261 8.250 -0.053 0.000 0.475 124 I N 6.142 126.746 120.570 0.057 0.000 2.306 124 I HA 0.227 nan 4.170 nan 0.000 0.288 124 I C -1.595 174.590 176.117 0.113 0.000 1.036 124 I CA -4.908 56.455 61.300 0.105 0.000 1.221 124 I CB -1.270 36.859 38.000 0.215 0.000 1.385 124 I HN -0.227 8.282 8.210 0.085 -0.247 0.472 125 P HA -0.071 nan 4.420 nan 0.000 0.261 125 P C -2.154 175.199 177.300 0.089 0.000 1.183 125 P CA -0.004 63.104 63.100 0.013 0.000 0.761 125 P CB -0.014 31.647 31.700 -0.066 0.000 0.785 126 W N 7.034 128.264 121.300 -0.116 0.000 2.627 126 W HA 0.244 nan 4.660 nan 0.000 0.339 126 W C -2.496 173.890 176.519 -0.221 0.000 1.058 126 W CA -1.529 55.765 57.345 -0.085 0.000 1.223 126 W CB 3.609 33.144 29.460 0.125 0.000 1.389 126 W HN 0.714 8.998 8.180 0.173 0.000 0.541 127 R N 2.734 122.634 120.500 -1.000 0.000 2.562 127 R HA 0.543 nan 4.340 nan 0.000 0.298 127 R C -1.496 173.884 176.300 -1.533 0.000 0.961 127 R CA -1.678 53.747 56.100 -1.125 0.000 0.881 127 R CB 3.394 33.054 30.300 -1.065 0.000 1.159 127 R HN 0.265 7.859 8.270 -1.128 0.000 0.450 128 C N -2.319 116.260 119.300 -1.201 0.000 2.345 128 C HA 0.544 nan 4.460 nan 0.000 0.369 128 C C 0.645 175.485 174.990 -0.251 0.000 1.273 128 C CA -2.269 56.240 59.018 -0.848 0.000 2.310 128 C CB 1.049 28.430 27.740 -0.599 0.000 2.219 128 C HN 0.565 8.184 8.230 -1.017 0.000 0.587 129 G N -0.788 107.978 108.800 -0.057 0.000 2.227 129 G HA2 -0.238 nan 3.960 nan 0.000 0.168 129 G HA3 -0.238 nan 3.960 nan 0.000 0.168 129 G C -1.252 173.632 174.900 -0.028 0.000 1.006 129 G CA -0.281 44.839 45.100 0.032 0.000 0.684 129 G HN 0.325 9.003 8.290 0.000 -0.388 0.489 130 R N 0.170 120.604 120.500 -0.109 0.000 2.643 130 R HA -0.016 nan 4.340 nan 0.000 0.270 130 R C -1.345 174.688 176.300 -0.445 0.000 1.061 130 R CA 1.140 57.017 56.100 -0.372 0.000 1.107 130 R CB 0.950 31.111 30.300 -0.231 0.000 0.999 130 R HN -0.457 8.022 8.270 -0.076 -0.255 0.460 131 V N 1.943 121.323 119.914 -0.890 0.000 2.588 131 V HA 0.083 nan 4.120 nan 0.000 0.304 131 V C -1.170 174.708 176.094 -0.360 0.000 1.042 131 V CA -1.589 60.450 62.300 -0.436 0.000 0.877 131 V CB 2.560 34.243 31.823 -0.233 0.000 0.996 131 V HN -0.232 6.827 8.190 -1.886 0.000 0.425 132 D N 4.556 124.877 120.400 -0.131 0.000 2.425 132 D HA 0.007 nan 4.640 nan 0.000 0.247 132 D C -0.239 176.095 176.300 0.056 0.000 1.147 132 D CA 1.004 54.984 54.000 -0.033 0.000 0.879 132 D CB 0.456 41.262 40.800 0.010 0.000 1.179 132 D HN 0.005 8.325 8.370 -0.083 0.000 0.456 133 T N 0.221 114.856 114.554 0.136 0.000 2.940 133 T HA 0.533 nan 4.350 nan 0.000 0.288 133 T C -1.826 173.031 174.700 0.261 0.000 1.033 133 T CA -3.317 58.899 62.100 0.193 0.000 1.033 133 T CB 0.541 69.537 68.868 0.213 0.000 1.079 133 T HN -0.251 8.079 8.240 0.150 0.000 0.496 134 P HA 0.143 nan 4.420 nan 0.000 0.271 134 P C 0.806 177.966 177.300 -0.233 0.000 1.244 134 P CA -0.994 62.150 63.100 0.072 0.000 0.793 134 P CB 0.712 32.425 31.700 0.021 0.000 0.984 135 E N 0.823 120.590 120.200 -0.721 0.000 2.209 135 E HA -0.367 nan 4.350 nan 0.000 0.196 135 E C 1.409 177.665 176.600 -0.573 0.000 0.993 135 E CA 3.502 59.075 56.400 -1.378 0.000 0.819 135 E CB -0.166 28.888 29.700 -1.077 0.000 0.745 135 E HN 0.499 8.596 8.360 -0.439 0.000 0.477 136 D N -5.998 114.233 120.400 -0.283 0.000 2.363 136 D HA -0.125 nan 4.640 nan 0.000 0.226 136 D C 0.953 177.211 176.300 -0.070 0.000 1.020 136 D CA 1.189 55.104 54.000 -0.140 0.000 0.892 136 D CB -0.808 39.943 40.800 -0.083 0.000 0.900 136 D HN 0.088 8.281 8.370 -0.247 0.029 0.531 137 T N -3.630 110.896 114.554 -0.046 0.000 3.144 137 T HA 0.142 nan 4.350 nan 0.000 0.249 137 T C 0.354 175.097 174.700 0.072 0.000 1.089 137 T CA -0.568 61.559 62.100 0.046 0.000 0.989 137 T CB 0.400 69.336 68.868 0.113 0.000 0.992 137 T HN -0.431 7.608 8.240 -0.088 0.149 0.540 138 T N 7.511 122.081 114.554 0.026 0.000 2.784 138 T HA 0.213 nan 4.350 nan 0.000 0.291 138 T C -1.908 172.842 174.700 0.083 0.000 0.942 138 T CA -0.407 61.750 62.100 0.095 0.000 1.161 138 T CB -0.338 68.570 68.868 0.066 0.000 0.885 138 T HN -0.672 7.447 8.240 -0.071 0.078 0.534 139 P HA 0.031 nan 4.420 nan 0.000 0.268 139 P C -1.613 175.728 177.300 0.068 0.000 1.205 139 P CA -0.736 62.413 63.100 0.081 0.000 0.771 139 P CB 0.574 32.328 31.700 0.091 0.000 0.858 140 D N 1.642 122.072 120.400 0.050 0.000 2.400 140 D HA -0.150 nan 4.640 nan 0.000 0.238 140 D C 0.256 176.586 176.300 0.051 0.000 1.157 140 D CA 0.629 54.657 54.000 0.046 0.000 0.889 140 D CB 0.544 41.365 40.800 0.035 0.000 1.199 140 D HN 0.129 8.525 8.370 0.043 0.000 0.436 141 N N -0.395 118.336 118.700 0.051 0.000 2.479 141 N HA -0.216 nan 4.740 nan 0.000 0.257 141 N C 0.658 176.200 175.510 0.052 0.000 1.232 141 N CA 1.152 54.234 53.050 0.053 0.000 0.920 141 N CB 0.168 38.686 38.487 0.052 0.000 1.105 141 N HN 0.215 8.624 8.380 0.050 0.000 0.444 142 G N 1.193 110.027 108.800 0.056 0.000 2.183 142 G HA2 -0.253 nan 3.960 nan 0.000 0.168 142 G HA3 -0.253 nan 3.960 nan 0.000 0.168 142 G C 0.040 174.993 174.900 0.088 0.000 1.008 142 G CA -0.098 45.044 45.100 0.069 0.000 0.677 142 G HN 0.658 8.978 8.290 0.051 0.000 0.498 143 R N -1.416 119.130 120.500 0.077 0.000 2.334 143 R HA 0.119 nan 4.340 nan 0.000 0.216 143 R C -0.495 175.914 176.300 0.182 0.000 0.905 143 R CA -0.334 55.831 56.100 0.108 0.000 1.064 143 R CB 0.381 30.713 30.300 0.053 0.000 1.046 143 R HN 0.178 8.482 8.270 0.056 0.000 0.508 144 L N 0.373 121.642 121.223 0.078 0.000 2.399 144 L HA 0.281 nan 4.340 nan 0.000 0.265 144 L C -1.840 174.988 176.870 -0.070 0.000 1.089 144 L CA -2.778 52.052 54.840 -0.018 0.000 0.802 144 L CB 0.117 42.017 42.059 -0.264 0.000 1.180 144 L HN -0.395 7.808 8.230 0.047 0.055 0.454 145 P HA 0.055 nan 4.420 nan 0.000 0.278 145 P C -1.656 175.605 177.300 -0.064 0.000 1.238 145 P CA -0.724 62.074 63.100 -0.505 0.000 0.794 145 P CB 0.526 31.586 31.700 -1.066 0.000 0.955 146 D N 4.130 124.563 120.400 0.055 0.000 2.313 146 D HA 0.063 nan 4.640 nan 0.000 0.247 146 D C -0.213 176.046 176.300 -0.068 0.000 1.094 146 D CA -0.141 53.838 54.000 -0.035 0.000 0.925 146 D CB 0.783 41.496 40.800 -0.144 0.000 1.188 146 D HN -0.032 8.500 8.370 0.270 0.000 0.430 147 A N -0.511 122.302 122.820 -0.011 0.000 2.081 147 A HA 0.031 nan 4.320 nan 0.000 0.214 147 A C -0.372 177.194 177.584 -0.031 0.000 1.158 147 A CA 1.454 53.458 52.037 -0.055 0.000 0.724 147 A CB 0.499 19.364 19.000 -0.226 0.000 0.826 147 A HN 0.155 8.338 8.150 0.056 0.000 0.463 148 D N -4.102 116.309 120.400 0.019 0.000 2.870 148 D HA 0.004 nan 4.640 nan 0.000 0.241 148 D C -0.992 175.289 176.300 -0.032 0.000 1.234 148 D CA -0.418 53.615 54.000 0.056 0.000 0.844 148 D CB -1.894 38.962 40.800 0.093 0.000 1.051 148 D HN 0.164 8.547 8.370 0.021 0.000 0.469 149 K N -1.488 118.872 120.400 -0.067 0.000 2.250 149 K HA 0.279 nan 4.320 nan 0.000 0.261 149 K C -1.977 174.658 176.600 0.058 0.000 1.047 149 K CA -1.787 54.435 56.287 -0.108 0.000 0.884 149 K CB 2.764 34.946 32.500 -0.529 0.000 1.476 149 K HN -0.691 7.494 8.250 -0.020 0.053 0.445 150 D N -4.191 116.289 120.400 0.132 0.000 2.592 150 D HA 0.259 nan 4.640 nan 0.000 0.259 150 D C 0.194 176.648 176.300 0.256 0.000 1.144 150 D CA -1.378 52.733 54.000 0.185 0.000 1.080 150 D CB 1.816 42.712 40.800 0.160 0.000 1.225 150 D HN -0.115 8.333 8.370 0.130 0.000 0.619 151 A N -2.210 120.754 122.820 0.240 0.000 2.076 151 A HA -0.215 nan 4.320 nan 0.000 0.220 151 A C 1.755 179.513 177.584 0.291 0.000 1.160 151 A CA 2.987 55.218 52.037 0.322 0.000 0.653 151 A CB -0.205 18.959 19.000 0.273 0.000 0.801 151 A HN 0.291 8.556 8.150 0.192 0.000 0.455 152 G N -2.973 105.960 108.800 0.220 0.000 2.394 152 G HA2 -0.232 nan 3.960 nan 0.000 0.215 152 G HA3 -0.232 nan 3.960 nan 0.000 0.215 152 G C 0.354 175.396 174.900 0.236 0.000 1.165 152 G CA 1.308 46.516 45.100 0.180 0.000 0.784 152 G HN -0.548 8.006 8.290 0.198 -0.145 0.535 153 Y N 3.076 123.475 120.300 0.164 0.000 2.081 153 Y HA -0.508 nan 4.550 nan 0.000 0.280 153 Y C 1.676 177.732 175.900 0.260 0.000 1.163 153 Y CA 3.759 61.969 58.100 0.184 0.000 1.135 153 Y CB 0.080 38.633 38.460 0.154 0.000 0.970 153 Y HN -0.798 7.876 8.280 0.367 -0.173 0.498 154 V N -1.223 118.947 119.914 0.427 0.000 2.287 154 V HA -0.578 nan 4.120 nan 0.000 0.248 154 V C 2.058 178.438 176.094 0.478 0.000 1.053 154 V CA 4.466 67.034 62.300 0.447 0.000 1.027 154 V CB -1.094 31.000 31.823 0.451 0.000 0.646 154 V HN -0.205 8.298 8.190 0.522 0.000 0.447 155 R N -1.984 118.760 120.500 0.405 0.000 2.091 155 R HA -0.393 nan 4.340 nan 0.000 0.238 155 R C 2.212 178.647 176.300 0.225 0.000 1.136 155 R CA 3.570 59.868 56.100 0.329 0.000 0.959 155 R CB -0.298 30.109 30.300 0.178 0.000 0.856 155 R HN -0.248 8.251 8.270 0.383 0.000 0.437 156 T N 1.637 116.276 114.554 0.142 0.000 2.777 156 T HA -0.236 nan 4.350 nan 0.000 0.266 156 T C 1.912 176.597 174.700 -0.024 0.000 1.040 156 T CA 4.900 67.030 62.100 0.050 0.000 1.141 156 T CB -0.479 68.406 68.868 0.029 0.000 0.868 156 T HN -0.581 7.751 8.240 0.153 0.000 0.444 157 F N 2.832 122.667 119.950 -0.193 0.000 2.075 157 F HA -0.406 nan 4.527 nan 0.000 0.297 157 F C 1.440 177.130 175.800 -0.185 0.000 1.113 157 F CA 3.519 61.330 58.000 -0.316 0.000 1.218 157 F CB 0.330 38.994 39.000 -0.560 0.000 0.984 157 F HN 0.009 8.314 8.300 0.008 0.000 0.472 158 F N -2.116 117.895 119.950 0.102 0.000 2.451 158 F HA -0.278 nan 4.527 nan 0.000 0.299 158 F C 1.924 177.722 175.800 -0.004 0.000 1.101 158 F CA 3.373 61.425 58.000 0.086 0.000 1.436 158 F CB -0.403 38.724 39.000 0.212 0.000 1.074 158 F HN -0.024 8.561 8.300 0.475 0.000 0.553 159 Q N -0.841 119.027 119.800 0.113 0.000 2.224 159 Q HA -0.250 nan 4.340 nan 0.000 0.203 159 Q C 2.545 178.498 176.000 -0.079 0.000 0.970 159 Q CA 2.268 58.098 55.803 0.044 0.000 0.865 159 Q CB -0.665 28.093 28.738 0.034 0.000 0.922 159 Q HN -0.317 7.999 8.270 0.125 0.029 0.445 160 R N -0.108 120.264 120.500 -0.214 0.000 2.189 160 R HA -0.197 nan 4.340 nan 0.000 0.223 160 R C 0.571 176.686 176.300 -0.309 0.000 1.092 160 R CA 2.786 58.677 56.100 -0.348 0.000 0.989 160 R CB -0.039 30.001 30.300 -0.434 0.000 0.876 160 R HN -0.521 7.575 8.270 -0.265 0.015 0.457 161 L N -2.262 118.925 121.223 -0.060 0.000 2.818 161 L HA 0.131 nan 4.340 nan 0.000 0.243 161 L C -0.913 176.179 176.870 0.370 0.000 1.185 161 L CA -1.149 53.875 54.840 0.306 0.000 0.988 161 L CB -0.365 41.895 42.059 0.336 0.000 1.292 161 L HN -0.778 7.248 8.230 -0.081 0.155 0.519 162 N N -1.385 117.431 118.700 0.195 0.000 2.805 162 N HA -0.449 nan 4.740 nan 0.000 0.280 162 N C -1.026 174.589 175.510 0.176 0.000 0.982 162 N CA 1.253 54.401 53.050 0.163 0.000 0.846 162 N CB -1.732 36.836 38.487 0.135 0.000 0.932 162 N HN -0.356 7.901 8.380 0.051 0.154 0.583 163 M N -0.707 119.020 119.600 0.211 0.000 2.180 163 M HA 0.161 nan 4.480 nan 0.000 0.350 163 M C -0.503 175.880 176.300 0.139 0.000 1.125 163 M CA -1.703 53.704 55.300 0.177 0.000 1.031 163 M CB 0.057 32.802 32.600 0.241 0.000 1.623 163 M HN -0.011 8.411 8.290 0.244 0.015 0.451 164 N N 4.306 123.063 118.700 0.096 0.000 2.495 164 N HA 0.099 nan 4.740 nan 0.000 0.294 164 N C -0.002 175.571 175.510 0.105 0.000 1.276 164 N CA -1.092 52.016 53.050 0.095 0.000 0.973 164 N CB 0.669 39.199 38.487 0.071 0.000 1.143 164 N HN 0.415 9.145 8.380 0.081 -0.302 0.589 165 D N 0.025 120.505 120.400 0.134 0.000 2.104 165 D HA -0.303 nan 4.640 nan 0.000 0.194 165 D C 2.413 178.813 176.300 0.167 0.000 0.994 165 D CA 4.343 58.485 54.000 0.236 0.000 0.830 165 D CB -0.310 40.597 40.800 0.177 0.000 0.959 165 D HN 0.336 8.769 8.370 0.104 0.000 0.452 166 R N -0.443 120.121 120.500 0.107 0.000 2.091 166 R HA -0.373 nan 4.340 nan 0.000 0.238 166 R C 1.994 178.364 176.300 0.116 0.000 1.136 166 R CA 3.180 59.343 56.100 0.105 0.000 0.959 166 R CB -0.198 30.158 30.300 0.092 0.000 0.856 166 R HN 0.022 8.401 8.270 0.091 -0.055 0.437 167 E N -0.847 119.390 120.200 0.062 0.000 2.150 167 E HA -0.294 nan 4.350 nan 0.000 0.193 167 E C 2.766 179.313 176.600 -0.089 0.000 0.985 167 E CA 2.978 59.387 56.400 0.014 0.000 0.814 167 E CB -0.178 29.526 29.700 0.006 0.000 0.752 167 E HN -0.560 8.084 8.360 0.061 -0.247 0.466 168 V N 0.582 120.391 119.914 -0.174 0.000 2.358 168 V HA -0.277 nan 4.120 nan 0.000 0.246 168 V C 2.000 177.915 176.094 -0.299 0.000 1.047 168 V CA 4.541 66.566 62.300 -0.459 0.000 1.035 168 V CB -0.802 30.741 31.823 -0.468 0.000 0.658 168 V HN 0.031 8.172 8.190 -0.081 0.000 0.452 169 V N -0.799 119.052 119.914 -0.105 0.000 2.488 169 V HA -0.351 nan 4.120 nan 0.000 0.246 169 V C 1.727 178.004 176.094 0.305 0.000 1.046 169 V CA 4.161 66.488 62.300 0.045 0.000 1.053 169 V CB -1.411 30.458 31.823 0.077 0.000 0.679 169 V HN -0.245 7.917 8.190 -0.046 0.000 0.458 170 A N 0.116 123.159 122.820 0.372 0.000 1.877 170 A HA -0.248 nan 4.320 nan 0.000 0.216 170 A C 2.226 180.083 177.584 0.455 0.000 1.186 170 A CA 3.381 55.692 52.037 0.457 0.000 0.620 170 A CB -0.708 18.457 19.000 0.275 0.000 0.822 170 A HN 0.095 8.428 8.150 0.304 0.000 0.443 171 L N -1.649 119.650 121.223 0.128 0.000 2.083 171 L HA -0.252 nan 4.340 nan 0.000 0.209 171 L C 2.374 179.210 176.870 -0.056 0.000 1.083 171 L CA 2.562 57.416 54.840 0.023 0.000 0.752 171 L CB -0.374 41.574 42.059 -0.185 0.000 0.899 171 L HN -0.153 8.089 8.230 0.020 0.000 0.433 172 M N -0.502 118.970 119.600 -0.213 0.000 2.296 172 M HA -0.195 nan 4.480 nan 0.000 0.265 172 M C 2.111 177.832 176.300 -0.965 0.000 1.064 172 M CA 2.159 57.153 55.300 -0.511 0.000 1.109 172 M CB -0.579 31.788 32.600 -0.388 0.000 1.396 172 M HN -0.228 7.952 8.290 -0.155 0.017 0.430 173 G N -2.613 105.828 108.800 -0.598 0.000 2.625 173 G HA2 -0.243 nan 3.960 nan 0.000 0.214 173 G HA3 -0.243 nan 3.960 nan 0.000 0.214 173 G C 0.169 174.625 174.900 -0.741 0.000 1.132 173 G CA 1.007 45.568 45.100 -0.898 0.000 0.782 173 G HN -0.138 8.077 8.290 -0.070 0.033 0.538 174 A N 1.860 124.379 122.820 -0.502 0.000 2.131 174 A HA -0.206 nan 4.320 nan 0.000 0.220 174 A C 2.077 179.284 177.584 -0.628 0.000 1.158 174 A CA 2.169 53.934 52.037 -0.454 0.000 0.665 174 A CB -0.806 18.074 19.000 -0.200 0.000 0.795 174 A HN -0.369 7.580 8.150 -0.266 0.041 0.460 175 G N -2.271 105.903 108.800 -1.043 0.000 2.479 175 G HA2 -0.389 nan 3.960 nan 0.000 0.220 175 G HA3 -0.389 nan 3.960 nan 0.000 0.220 175 G C 0.325 174.921 174.900 -0.507 0.000 1.115 175 G CA 1.255 45.582 45.100 -1.287 0.000 0.757 175 G HN -0.340 7.149 8.290 -1.248 0.052 0.560 176 A N 0.484 123.040 122.820 -0.440 0.000 2.042 176 A HA -0.234 nan 4.320 nan 0.000 0.222 176 A C 0.305 177.822 177.584 -0.112 0.000 1.167 176 A CA 1.637 53.528 52.037 -0.243 0.000 0.649 176 A CB -0.098 18.669 19.000 -0.390 0.000 0.809 176 A HN -0.552 7.189 8.150 -0.639 0.025 0.457 177 L N -3.088 118.059 121.223 -0.126 0.000 2.307 177 L HA -0.083 nan 4.340 nan 0.000 0.282 177 L C 0.602 177.550 176.870 0.129 0.000 1.051 177 L CA -0.311 54.530 54.840 0.002 0.000 0.804 177 L CB 0.477 42.533 42.059 -0.005 0.000 1.197 177 L HN -0.588 7.332 8.230 -0.256 0.156 0.431 178 G N 4.094 112.984 108.800 0.150 0.000 2.593 178 G HA2 -0.360 nan 3.960 nan 0.000 0.237 178 G HA3 -0.360 nan 3.960 nan 0.000 0.237 178 G C -2.533 172.496 174.900 0.214 0.000 1.312 178 G CA 0.280 45.497 45.100 0.194 0.000 0.896 178 G HN 0.775 9.005 8.290 0.106 0.124 0.574 179 K N -2.794 117.676 120.400 0.117 0.000 2.615 179 K HA 0.520 nan 4.320 nan 0.000 0.291 179 K C -1.940 174.402 176.600 -0.431 0.000 1.017 179 K CA -1.625 54.503 56.287 -0.265 0.000 0.882 179 K CB 2.986 35.297 32.500 -0.315 0.000 1.522 179 K HN -0.240 8.122 8.250 0.187 0.000 0.412 180 T N -3.219 110.985 114.554 -0.585 0.000 2.899 180 T HA 0.437 nan 4.350 nan 0.000 0.284 180 T C -0.113 174.308 174.700 -0.465 0.000 1.004 180 T CA -1.473 60.423 62.100 -0.340 0.000 1.043 180 T CB 1.101 69.858 68.868 -0.186 0.000 1.013 180 T HN 0.465 8.171 8.240 -0.731 0.096 0.518 181 H N 0.824 119.908 119.070 0.023 0.000 2.744 181 H HA 0.396 nan 4.556 nan 0.000 0.339 181 H C -0.136 175.205 175.328 0.022 0.000 1.004 181 H CA -0.788 55.264 56.048 0.006 0.000 1.257 181 H CB 2.125 31.889 29.762 0.003 0.000 1.552 181 H HN 0.172 8.508 8.280 0.094 0.000 0.522 182 L N 5.681 126.954 121.223 0.083 0.000 2.081 182 L HA -0.403 nan 4.340 nan 0.000 0.212 182 L C 0.769 177.665 176.870 0.043 0.000 1.080 182 L CA 3.871 58.734 54.840 0.038 0.000 0.754 182 L CB 0.313 42.373 42.059 0.001 0.000 0.893 182 L HN 0.284 8.885 8.230 0.053 -0.339 0.433 183 K N -2.784 117.651 120.400 0.059 0.000 2.365 183 K HA -0.253 nan 4.320 nan 0.000 0.199 183 K C 0.817 177.449 176.600 0.053 0.000 1.045 183 K CA 2.299 58.610 56.287 0.040 0.000 0.962 183 K CB -0.417 32.101 32.500 0.029 0.000 0.759 183 K HN 0.181 8.476 8.250 0.075 0.000 0.469 184 N N -2.109 116.646 118.700 0.091 0.000 2.258 184 N HA -0.009 nan 4.740 nan 0.000 0.183 184 N C 1.003 176.583 175.510 0.116 0.000 1.029 184 N CA 2.137 55.245 53.050 0.097 0.000 0.857 184 N CB 0.846 39.410 38.487 0.129 0.000 1.008 184 N HN -0.474 7.844 8.380 0.129 0.139 0.433 185 S N -3.366 112.427 115.700 0.155 0.000 2.559 185 S HA 0.170 nan 4.470 nan 0.000 0.226 185 S C 0.850 175.519 174.600 0.114 0.000 1.000 185 S CA -0.210 58.109 58.200 0.199 0.000 0.948 185 S CB 2.233 65.630 63.200 0.329 0.000 0.870 185 S HN -0.437 7.977 8.310 0.174 0.000 0.497 186 G N 1.255 110.048 108.800 -0.012 0.000 2.153 186 G HA2 -0.336 nan 3.960 nan 0.000 0.252 186 G HA3 -0.336 nan 3.960 nan 0.000 0.252 186 G C -1.564 173.065 174.900 -0.452 0.000 0.994 186 G CA 0.902 45.872 45.100 -0.217 0.000 0.698 186 G HN -0.177 8.129 8.290 0.026 0.000 0.521 187 Y N -2.487 117.818 120.300 0.009 0.000 2.536 187 Y HA 0.251 nan 4.550 nan 0.000 0.347 187 Y C -1.732 174.130 175.900 -0.063 0.000 1.000 187 Y CA -1.891 56.197 58.100 -0.020 0.000 1.051 187 Y CB 2.883 41.340 38.460 -0.005 0.000 1.259 187 Y HN -0.892 7.408 8.280 0.125 0.055 0.468 188 E N 1.105 121.338 120.200 0.056 0.000 2.287 188 E HA 0.189 nan 4.350 nan 0.000 0.274 188 E C -1.394 175.146 176.600 -0.101 0.000 0.896 188 E CA -1.111 55.262 56.400 -0.045 0.000 0.788 188 E CB 3.053 32.733 29.700 -0.034 0.000 1.244 188 E HN 0.271 9.001 8.360 0.095 -0.314 0.408 189 G N 4.583 113.268 108.800 -0.191 0.000 2.362 189 G HA2 -0.144 nan 3.960 nan 0.000 0.656 189 G HA3 -0.144 nan 3.960 nan 0.000 0.656 189 G C -3.232 171.452 174.900 -0.360 0.000 1.376 189 G CA -0.624 44.358 45.100 -0.196 0.000 0.971 189 G HN -0.279 7.864 8.290 -0.245 0.000 0.636 190 P HA 0.480 nan 4.420 nan 0.000 0.278 190 P C -0.092 177.027 177.300 -0.303 0.000 1.258 190 P CA -1.123 61.811 63.100 -0.278 0.000 0.811 190 P CB 1.256 32.922 31.700 -0.057 0.000 1.063 191 W N -1.653 119.645 121.300 -0.004 0.000 2.863 191 W HA 0.015 nan 4.660 nan 0.000 0.258 191 W C -0.191 176.173 176.519 -0.258 0.000 1.298 191 W CA 0.987 58.331 57.345 -0.002 0.000 1.451 191 W CB 0.898 30.407 29.460 0.081 0.000 1.107 191 W HN 0.414 8.706 8.180 0.186 0.000 0.641 192 G N -5.417 103.239 108.800 -0.239 0.000 2.606 192 G HA2 0.227 nan 3.960 nan 0.000 0.300 192 G HA3 0.227 nan 3.960 nan 0.000 0.300 192 G C -2.017 172.610 174.900 -0.454 0.000 1.360 192 G CA 0.050 44.734 45.100 -0.693 0.000 0.783 192 G HN -0.909 7.297 8.290 -0.062 0.046 0.484 193 A N -1.291 121.354 122.820 -0.292 0.000 1.956 193 A HA 0.130 nan 4.320 nan 0.000 0.212 193 A C 0.820 178.414 177.584 0.018 0.000 1.188 193 A CA 1.489 53.536 52.037 0.016 0.000 0.675 193 A CB 1.140 20.220 19.000 0.134 0.000 0.845 193 A HN 0.160 8.429 8.150 -0.375 -0.344 0.455 194 A N -0.175 122.641 122.820 -0.006 0.000 3.168 194 A HA 0.201 nan 4.320 nan 0.000 0.260 194 A C -1.263 176.329 177.584 0.015 0.000 1.598 194 A CA -1.306 50.741 52.037 0.017 0.000 1.285 194 A CB -1.758 17.253 19.000 0.019 0.000 1.149 194 A HN -0.481 7.885 8.150 -0.038 -0.239 0.630 195 N N -0.424 118.292 118.700 0.027 0.000 2.471 195 N HA -0.164 nan 4.740 nan 0.000 0.205 195 N C -1.251 174.291 175.510 0.052 0.000 1.251 195 N CA 0.559 53.632 53.050 0.039 0.000 0.843 195 N CB -0.127 38.395 38.487 0.058 0.000 1.044 195 N HN -0.083 8.244 8.380 0.030 0.071 0.461 196 N N -3.638 115.094 118.700 0.053 0.000 2.475 196 N HA 0.130 nan 4.740 nan 0.000 0.272 196 N C -1.577 173.975 175.510 0.070 0.000 1.482 196 N CA -0.804 52.284 53.050 0.062 0.000 0.863 196 N CB -0.525 38.002 38.487 0.067 0.000 1.400 196 N HN 0.014 8.349 8.380 0.051 0.076 0.489 197 V N -0.569 119.387 119.914 0.069 0.000 2.709 197 V HA 0.380 nan 4.120 nan 0.000 0.308 197 V C -1.907 174.252 176.094 0.108 0.000 1.062 197 V CA -0.657 61.702 62.300 0.098 0.000 0.901 197 V CB 2.565 34.441 31.823 0.088 0.000 1.003 197 V HN -0.670 7.550 8.190 0.049 0.000 0.425 198 F N 8.113 128.069 119.950 0.009 0.000 2.390 198 F HA 0.202 nan 4.527 nan 0.000 0.361 198 F C -1.000 174.919 175.800 0.198 0.000 1.124 198 F CA 0.094 58.089 58.000 -0.008 0.000 1.149 198 F CB 0.750 39.636 39.000 -0.191 0.000 1.160 198 F HN 0.588 9.045 8.300 0.262 0.000 0.501 199 T N 2.360 116.901 114.554 -0.022 0.000 2.812 199 T HA 0.239 nan 4.350 nan 0.000 0.294 199 T C -1.129 173.609 174.700 0.063 0.000 1.159 199 T CA -2.297 59.891 62.100 0.147 0.000 1.008 199 T CB 2.889 71.789 68.868 0.053 0.000 1.289 199 T HN -0.298 7.764 8.240 -0.297 0.000 0.514 200 N N -2.148 116.605 118.700 0.089 0.000 2.471 200 N HA -0.101 nan 4.740 nan 0.000 0.205 200 N C 0.920 176.381 175.510 -0.083 0.000 1.251 200 N CA 0.159 53.180 53.050 -0.048 0.000 0.843 200 N CB -1.678 36.852 38.487 0.072 0.000 1.044 200 N HN 0.321 8.760 8.380 0.098 0.000 0.461 201 E N 1.036 121.164 120.200 -0.119 0.000 2.097 201 E HA -0.414 nan 4.350 nan 0.000 0.196 201 E C 0.982 177.498 176.600 -0.140 0.000 1.000 201 E CA 3.101 59.439 56.400 -0.103 0.000 0.804 201 E CB -0.297 29.339 29.700 -0.107 0.000 0.740 201 E HN -0.649 7.528 8.360 -0.116 0.114 0.454 202 F N -0.415 119.252 119.950 -0.472 0.000 2.154 202 F HA -0.404 nan 4.527 nan 0.000 0.301 202 F C 1.613 177.122 175.800 -0.484 0.000 1.087 202 F CA 3.393 61.064 58.000 -0.549 0.000 1.274 202 F CB -0.060 38.411 39.000 -0.882 0.000 1.009 202 F HN -0.081 8.053 8.300 -0.276 0.000 0.485 203 Y N -2.893 117.340 120.300 -0.112 0.000 2.206 203 Y HA -0.339 nan 4.550 nan 0.000 0.292 203 Y C 2.106 177.938 175.900 -0.114 0.000 1.123 203 Y CA 3.523 61.531 58.100 -0.153 0.000 1.142 203 Y CB -0.585 37.818 38.460 -0.096 0.000 1.006 203 Y HN -0.586 7.360 8.280 -0.515 0.025 0.518 204 L N -0.988 120.271 121.223 0.061 0.000 2.046 204 L HA -0.561 nan 4.340 nan 0.000 0.208 204 L C 2.098 179.000 176.870 0.053 0.000 1.077 204 L CA 3.234 58.102 54.840 0.047 0.000 0.747 204 L CB -0.641 41.438 42.059 0.034 0.000 0.896 204 L HN -0.643 7.623 8.230 0.061 0.000 0.432 205 N N -0.723 118.003 118.700 0.044 0.000 2.084 205 N HA -0.292 nan 4.740 nan 0.000 0.190 205 N C 2.419 178.144 175.510 0.358 0.000 1.030 205 N CA 2.893 56.053 53.050 0.183 0.000 0.849 205 N CB -0.567 38.041 38.487 0.201 0.000 1.012 205 N HN -0.063 8.309 8.380 -0.013 0.000 0.423 206 L N 0.166 121.442 121.223 0.089 0.000 2.042 206 L HA -0.277 nan 4.340 nan 0.000 0.210 206 L C 2.274 179.245 176.870 0.168 0.000 1.076 206 L CA 3.238 58.091 54.840 0.022 0.000 0.749 206 L CB -0.098 41.700 42.059 -0.434 0.000 0.893 206 L HN -0.200 7.929 8.230 -0.168 0.000 0.432 207 L N -2.439 118.834 121.223 0.084 0.000 2.179 207 L HA -0.304 nan 4.340 nan 0.000 0.208 207 L C 1.562 178.491 176.870 0.098 0.000 1.096 207 L CA 2.531 57.414 54.840 0.071 0.000 0.779 207 L CB -0.127 41.949 42.059 0.028 0.000 0.922 207 L HN 0.052 8.307 8.230 0.043 0.000 0.443 208 N N -4.039 114.721 118.700 0.100 0.000 2.254 208 N HA 0.014 nan 4.740 nan 0.000 0.190 208 N C -0.093 175.406 175.510 -0.019 0.000 1.107 208 N CA 0.354 53.430 53.050 0.043 0.000 0.869 208 N CB 1.127 39.632 38.487 0.031 0.000 0.983 208 N HN -0.106 8.347 8.380 0.122 0.000 0.487 209 E N -0.256 119.899 120.200 -0.075 0.000 2.283 209 E HA 0.082 nan 4.350 nan 0.000 0.267 209 E C -1.022 175.299 176.600 -0.464 0.000 1.045 209 E CA -0.713 55.440 56.400 -0.411 0.000 0.884 209 E CB 1.154 30.295 29.700 -0.933 0.000 1.106 209 E HN -0.774 7.639 8.360 0.089 0.000 0.408 210 D N 2.842 122.996 120.400 -0.410 0.000 2.468 210 D HA 0.059 nan 4.640 nan 0.000 0.218 210 D C -1.024 175.137 176.300 -0.232 0.000 1.155 210 D CA -1.420 52.464 54.000 -0.193 0.000 0.924 210 D CB -0.564 40.166 40.800 -0.117 0.000 1.029 210 D HN 0.179 8.305 8.370 -0.407 0.000 0.515 211 W N 2.220 123.613 121.300 0.156 0.000 2.238 211 W HA 0.063 nan 4.660 nan 0.000 0.321 211 W C -0.585 176.090 176.519 0.260 0.000 1.293 211 W CA -0.887 56.594 57.345 0.226 0.000 1.204 211 W CB 0.946 30.585 29.460 0.298 0.000 1.167 211 W HN -0.563 7.713 8.180 0.160 0.000 0.553 212 K N 3.058 123.675 120.400 0.361 0.000 2.413 212 K HA 0.312 nan 4.320 nan 0.000 0.257 212 K C -1.306 175.206 176.600 -0.146 0.000 0.946 212 K CA -1.767 54.596 56.287 0.126 0.000 0.823 212 K CB 3.002 35.521 32.500 0.031 0.000 1.109 212 K HN 0.851 9.187 8.250 0.332 0.114 0.427 213 L N 6.870 127.733 121.223 -0.601 0.000 2.477 213 L HA 0.076 nan 4.340 nan 0.000 0.272 213 L C -0.894 175.687 176.870 -0.481 0.000 1.157 213 L CA 0.947 55.177 54.840 -1.017 0.000 0.889 213 L CB 0.374 41.626 42.059 -1.344 0.000 1.158 213 L HN 0.457 8.401 8.230 -0.476 0.000 0.473 214 E N 6.527 126.505 120.200 -0.371 0.000 2.429 214 E HA 0.361 nan 4.350 nan 0.000 0.276 214 E C -2.066 174.431 176.600 -0.172 0.000 0.953 214 E CA -1.910 54.362 56.400 -0.212 0.000 0.787 214 E CB 4.042 33.662 29.700 -0.133 0.000 1.307 214 E HN 0.822 8.933 8.360 -0.415 0.000 0.458 215 K N 0.625 120.949 120.400 -0.125 0.000 2.144 215 K HA 0.318 nan 4.320 nan 0.000 0.270 215 K C -0.629 175.921 176.600 -0.083 0.000 1.005 215 K CA -0.029 56.198 56.287 -0.100 0.000 0.932 215 K CB 0.838 33.286 32.500 -0.087 0.000 1.021 215 K HN 0.139 8.319 8.250 -0.118 0.000 0.462 216 N N 3.916 122.565 118.700 -0.085 0.000 2.604 216 N HA 0.210 nan 4.740 nan 0.000 0.297 216 N C 0.663 176.125 175.510 -0.080 0.000 1.266 216 N CA -1.256 51.748 53.050 -0.076 0.000 0.961 216 N CB 0.739 39.179 38.487 -0.077 0.000 1.166 216 N HN 0.261 8.583 8.380 -0.097 0.000 0.601 217 D N -1.543 118.815 120.400 -0.069 0.000 2.309 217 D HA -0.221 nan 4.640 nan 0.000 0.212 217 D C 0.119 176.374 176.300 -0.075 0.000 0.968 217 D CA 3.060 57.023 54.000 -0.062 0.000 0.882 217 D CB -0.613 40.158 40.800 -0.049 0.000 0.918 217 D HN 0.549 8.882 8.370 -0.061 0.000 0.503 218 A N -2.422 120.334 122.820 -0.106 0.000 2.278 218 A HA -0.015 nan 4.320 nan 0.000 0.212 218 A C -0.348 177.162 177.584 -0.124 0.000 1.213 218 A CA -0.130 51.834 52.037 -0.121 0.000 0.840 218 A CB 0.342 19.237 19.000 -0.175 0.000 0.866 218 A HN -0.297 7.993 8.150 -0.123 -0.214 0.489 219 N N -5.120 113.514 118.700 -0.110 0.000 2.782 219 N HA -0.468 nan 4.740 nan 0.000 0.251 219 N C -1.481 173.960 175.510 -0.114 0.000 1.101 219 N CA 1.433 54.426 53.050 -0.095 0.000 0.764 219 N CB -1.341 37.103 38.487 -0.072 0.000 1.122 219 N HN 0.226 8.384 8.380 -0.101 0.162 0.561 220 N N -0.488 118.109 118.700 -0.171 0.000 2.472 220 N HA 0.210 nan 4.740 nan 0.000 0.289 220 N C -1.520 173.935 175.510 -0.092 0.000 1.156 220 N CA -0.402 52.542 53.050 -0.176 0.000 0.940 220 N CB 2.284 40.493 38.487 -0.463 0.000 1.200 220 N HN -0.479 8.018 8.380 -0.199 -0.237 0.511 221 E N -0.470 119.727 120.200 -0.004 0.000 2.266 221 E HA 0.368 nan 4.350 nan 0.000 0.277 221 E C -1.313 175.335 176.600 0.080 0.000 1.018 221 E CA -0.082 56.301 56.400 -0.028 0.000 0.840 221 E CB 1.213 30.863 29.700 -0.085 0.000 1.082 221 E HN 0.329 8.708 8.360 0.031 0.000 0.395 222 Q N -1.410 118.365 119.800 -0.041 0.000 2.482 222 Q HA 0.616 nan 4.340 nan 0.000 0.286 222 Q C -1.492 174.392 176.000 -0.193 0.000 1.007 222 Q CA -1.972 53.840 55.803 0.016 0.000 0.801 222 Q CB 3.653 32.497 28.738 0.177 0.000 1.455 222 Q HN 0.678 8.871 8.270 -0.129 0.000 0.398 223 W N 0.339 121.611 121.300 -0.046 0.000 2.358 223 W HA 0.068 nan 4.660 nan 0.000 0.307 223 W C -0.856 175.785 176.519 0.203 0.000 1.203 223 W CA 0.327 57.651 57.345 -0.034 0.000 1.279 223 W CB 0.494 29.768 29.460 -0.309 0.000 1.264 223 W HN 0.420 8.764 8.180 0.275 0.000 0.474 224 D N 5.599 126.206 120.400 0.345 0.000 2.192 224 D HA 0.699 nan 4.640 nan 0.000 0.246 224 D C -0.836 175.603 176.300 0.232 0.000 1.042 224 D CA -0.894 53.278 54.000 0.286 0.000 0.847 224 D CB 3.138 43.990 40.800 0.086 0.000 1.186 224 D HN 0.493 8.875 8.370 0.184 0.099 0.461 225 S N 2.264 117.986 115.700 0.036 0.000 2.681 225 S HA 0.637 nan 4.470 nan 0.000 0.299 225 S C 1.227 175.676 174.600 -0.252 0.000 1.113 225 S CA -1.532 56.489 58.200 -0.298 0.000 1.013 225 S CB 2.926 65.638 63.200 -0.814 0.000 1.076 225 S HN 0.465 8.851 8.310 0.126 0.000 0.534 226 K N 2.523 122.766 120.400 -0.262 0.000 2.152 226 K HA -0.226 nan 4.320 nan 0.000 0.206 226 K C 1.438 177.874 176.600 -0.273 0.000 1.048 226 K CA 2.591 58.749 56.287 -0.215 0.000 0.933 226 K CB -0.501 31.890 32.500 -0.183 0.000 0.721 226 K HN 0.730 8.814 8.250 -0.276 0.000 0.447 227 S N -3.796 111.654 115.700 -0.417 0.000 2.547 227 S HA -0.109 nan 4.470 nan 0.000 0.235 227 S C 0.728 174.939 174.600 -0.649 0.000 0.980 227 S CA 0.884 58.727 58.200 -0.595 0.000 0.941 227 S CB 0.411 63.031 63.200 -0.966 0.000 0.763 227 S HN -0.241 7.787 8.310 -0.441 0.016 0.532 228 G N -1.242 107.301 108.800 -0.428 0.000 2.176 228 G HA2 -0.306 nan 3.960 nan 0.000 0.232 228 G HA3 -0.306 nan 3.960 nan 0.000 0.232 228 G C -0.336 174.526 174.900 -0.064 0.000 0.986 228 G CA 0.165 45.128 45.100 -0.229 0.000 0.643 228 G HN -0.269 7.647 8.290 -0.337 0.171 0.522 229 Y N 0.155 120.454 120.300 -0.002 0.000 2.326 229 Y HA 0.524 nan 4.550 nan 0.000 0.324 229 Y C -0.977 175.052 175.900 0.215 0.000 1.291 229 Y CA -3.011 55.141 58.100 0.085 0.000 1.348 229 Y CB 0.945 39.504 38.460 0.166 0.000 1.294 229 Y HN -0.833 7.017 8.280 -0.580 0.082 0.525 230 M N -2.146 117.672 119.600 0.365 0.000 2.631 230 M HA 0.743 nan 4.480 nan 0.000 0.288 230 M C -1.665 174.673 176.300 0.062 0.000 1.260 230 M CA -1.401 54.055 55.300 0.261 0.000 0.842 230 M CB 4.336 36.950 32.600 0.024 0.000 1.743 230 M HN 0.540 8.964 8.290 0.223 0.000 0.461 231 M N -1.232 118.372 119.600 0.007 0.000 2.324 231 M HA 0.472 nan 4.480 nan 0.000 0.288 231 M C -1.637 174.733 176.300 0.115 0.000 1.097 231 M CA -1.233 54.048 55.300 -0.031 0.000 0.928 231 M CB 3.945 36.286 32.600 -0.433 0.000 1.648 231 M HN 0.741 9.110 8.290 0.131 0.000 0.460 232 L N 2.611 123.929 121.223 0.157 0.000 2.452 232 L HA 0.154 nan 4.340 nan 0.000 0.267 232 L C -0.825 176.147 176.870 0.170 0.000 1.188 232 L CA -1.212 53.661 54.840 0.056 0.000 0.821 232 L CB -1.088 40.949 42.059 -0.037 0.000 1.102 232 L HN 0.038 8.697 8.230 0.303 -0.248 0.470 233 P HA -0.312 nan 4.420 nan 0.000 0.216 233 P C 1.152 178.557 177.300 0.175 0.000 1.154 233 P CA 3.162 66.427 63.100 0.275 0.000 0.865 233 P CB -0.056 31.777 31.700 0.221 0.000 0.789 234 T N -6.870 107.749 114.554 0.108 0.000 2.915 234 T HA -0.247 nan 4.350 nan 0.000 0.269 234 T C 1.790 176.541 174.700 0.085 0.000 1.071 234 T CA 3.588 65.754 62.100 0.110 0.000 1.132 234 T CB -0.838 68.095 68.868 0.109 0.000 0.878 234 T HN -0.089 8.192 8.240 0.069 0.000 0.479 235 D N 2.119 122.571 120.400 0.087 0.000 2.137 235 D HA -0.137 nan 4.640 nan 0.000 0.202 235 D C 2.001 178.252 176.300 -0.082 0.000 0.970 235 D CA 2.957 57.001 54.000 0.073 0.000 0.837 235 D CB -0.246 40.655 40.800 0.168 0.000 0.981 235 D HN -0.424 7.875 8.370 0.104 0.133 0.475 236 Y N 2.000 122.134 120.300 -0.277 0.000 2.224 236 Y HA -0.431 nan 4.550 nan 0.000 0.289 236 Y C 1.711 177.422 175.900 -0.313 0.000 1.146 236 Y CA 3.355 61.145 58.100 -0.517 0.000 1.182 236 Y CB 0.167 38.073 38.460 -0.923 0.000 0.983 236 Y HN 0.042 8.354 8.280 0.054 0.000 0.524 237 S N 0.519 116.173 115.700 -0.076 0.000 2.409 237 S HA -0.501 nan 4.470 nan 0.000 0.237 237 S C 1.483 176.070 174.600 -0.021 0.000 1.060 237 S CA 4.189 62.381 58.200 -0.013 0.000 1.052 237 S CB -0.436 62.837 63.200 0.121 0.000 0.871 237 S HN 0.209 8.552 8.310 0.054 0.000 0.465 238 L N -2.742 118.432 121.223 -0.083 0.000 2.353 238 L HA -0.261 nan 4.340 nan 0.000 0.220 238 L C 0.616 177.442 176.870 -0.073 0.000 1.133 238 L CA 2.252 57.066 54.840 -0.044 0.000 0.798 238 L CB -0.156 41.830 42.059 -0.121 0.000 0.922 238 L HN -0.645 7.370 8.230 -0.124 0.140 0.445 239 I N -8.781 111.630 120.570 -0.265 0.000 3.941 239 I HA 0.012 nan 4.170 nan 0.000 0.321 239 I C 1.170 177.134 176.117 -0.255 0.000 1.284 239 I CA 0.924 62.055 61.300 -0.281 0.000 1.226 239 I CB 0.330 38.074 38.000 -0.425 0.000 1.045 239 I HN -0.304 7.642 8.210 -0.407 0.020 0.420 240 Q N 0.281 119.934 119.800 -0.245 0.000 2.245 240 Q HA -0.151 nan 4.340 nan 0.000 0.201 240 Q C 0.352 176.323 176.000 -0.048 0.000 0.955 240 Q CA 1.632 57.356 55.803 -0.132 0.000 0.870 240 Q CB 0.479 29.164 28.738 -0.088 0.000 0.945 240 Q HN -0.579 7.404 8.270 -0.288 0.114 0.461 241 D N -0.222 120.175 120.400 -0.005 0.000 2.277 241 D HA 0.327 nan 4.640 nan 0.000 0.249 241 D C -1.017 175.257 176.300 -0.044 0.000 1.134 241 D CA -2.696 51.290 54.000 -0.023 0.000 0.863 241 D CB 2.294 43.073 40.800 -0.035 0.000 1.143 241 D HN -0.538 7.848 8.370 0.026 0.000 0.458 242 P HA -0.137 nan 4.420 nan 0.000 0.217 242 P C 1.339 178.602 177.300 -0.062 0.000 1.150 242 P CA 2.103 65.169 63.100 -0.057 0.000 0.832 242 P CB 0.503 32.171 31.700 -0.053 0.000 0.787 243 K N -1.341 118.995 120.400 -0.107 0.000 2.031 243 K HA -0.208 nan 4.320 nan 0.000 0.205 243 K C 2.853 179.440 176.600 -0.020 0.000 1.049 243 K CA 2.986 59.210 56.287 -0.107 0.000 0.939 243 K CB -0.232 32.154 32.500 -0.189 0.000 0.717 243 K HN -0.610 7.684 8.250 -0.143 -0.130 0.438 244 Y N -1.106 119.165 120.300 -0.049 0.000 2.145 244 Y HA -0.278 nan 4.550 nan 0.000 0.286 244 Y C 2.236 178.084 175.900 -0.087 0.000 1.145 244 Y CA 1.059 59.124 58.100 -0.057 0.000 1.148 244 Y CB -0.497 37.941 38.460 -0.036 0.000 0.981 244 Y HN -0.676 7.774 8.280 -0.141 -0.255 0.507 245 L N -1.205 120.063 121.223 0.076 0.000 2.081 245 L HA -0.438 nan 4.340 nan 0.000 0.212 245 L C 1.561 178.398 176.870 -0.055 0.000 1.080 245 L CA 3.335 58.164 54.840 -0.018 0.000 0.754 245 L CB -0.380 41.652 42.059 -0.045 0.000 0.893 245 L HN 0.135 8.417 8.230 0.086 0.000 0.433 246 S N -0.631 115.036 115.700 -0.056 0.000 2.402 246 S HA -0.307 nan 4.470 nan 0.000 0.229 246 S C 2.351 176.859 174.600 -0.153 0.000 1.021 246 S CA 3.313 61.461 58.200 -0.088 0.000 0.974 246 S CB -0.506 62.650 63.200 -0.074 0.000 0.800 246 S HN -0.573 7.714 8.310 -0.037 0.000 0.484 247 I N 2.703 123.172 120.570 -0.168 0.000 2.202 247 I HA -0.396 nan 4.170 nan 0.000 0.242 247 I C 1.486 177.298 176.117 -0.508 0.000 1.091 247 I CA 3.413 64.499 61.300 -0.357 0.000 1.368 247 I CB -0.282 37.572 38.000 -0.244 0.000 1.058 247 I HN -0.876 7.282 8.210 -0.088 0.000 0.410 248 V N 0.454 120.206 119.914 -0.269 0.000 2.277 248 V HA -0.623 nan 4.120 nan 0.000 0.253 248 V C 1.961 177.923 176.094 -0.220 0.000 1.067 248 V CA 4.951 67.133 62.300 -0.197 0.000 1.047 248 V CB -1.169 30.639 31.823 -0.024 0.000 0.649 248 V HN 0.245 8.348 8.190 -0.144 0.000 0.447 249 K N -2.614 117.687 120.400 -0.166 0.000 2.147 249 K HA -0.385 nan 4.320 nan 0.000 0.205 249 K C 2.100 178.616 176.600 -0.139 0.000 1.049 249 K CA 3.508 59.725 56.287 -0.117 0.000 0.936 249 K CB -0.405 32.043 32.500 -0.087 0.000 0.722 249 K HN -0.252 7.909 8.250 -0.150 0.000 0.446 250 E N -0.100 119.962 120.200 -0.230 0.000 2.077 250 E HA -0.311 nan 4.350 nan 0.000 0.193 250 E C 2.611 179.138 176.600 -0.122 0.000 0.989 250 E CA 3.076 59.348 56.400 -0.213 0.000 0.800 250 E CB 0.019 29.517 29.700 -0.336 0.000 0.746 250 E HN -0.663 7.435 8.360 -0.280 0.094 0.452 251 Y N -2.710 117.428 120.300 -0.270 0.000 2.395 251 Y HA -0.163 nan 4.550 nan 0.000 0.293 251 Y C 1.571 177.325 175.900 -0.244 0.000 1.123 251 Y CA 0.283 58.164 58.100 -0.366 0.000 1.227 251 Y CB -0.483 37.374 38.460 -1.006 0.000 1.012 251 Y HN -0.481 7.468 8.280 -0.553 0.000 0.552 252 A N -1.652 121.149 122.820 -0.032 0.000 1.969 252 A HA -0.136 nan 4.320 nan 0.000 0.218 252 A C 1.025 178.624 177.584 0.025 0.000 1.169 252 A CA 2.050 54.114 52.037 0.046 0.000 0.635 252 A CB -0.007 19.020 19.000 0.046 0.000 0.810 252 A HN -0.282 7.796 8.150 -0.120 0.000 0.445 253 N N -3.650 115.054 118.700 0.008 0.000 2.280 253 N HA 0.011 nan 4.740 nan 0.000 0.192 253 N C -0.853 174.669 175.510 0.020 0.000 1.109 253 N CA 0.997 54.052 53.050 0.009 0.000 0.855 253 N CB 1.445 39.929 38.487 -0.005 0.000 0.974 253 N HN -0.535 7.837 8.380 -0.012 0.000 0.482 254 D N -0.072 120.356 120.400 0.047 0.000 2.411 254 D HA 0.294 nan 4.640 nan 0.000 0.239 254 D C -1.174 175.175 176.300 0.083 0.000 1.307 254 D CA -0.332 53.701 54.000 0.055 0.000 0.930 254 D CB 0.473 41.314 40.800 0.069 0.000 1.395 254 D HN -0.702 7.591 8.370 0.063 0.115 0.536 255 Q N 4.310 124.117 119.800 0.012 0.000 2.181 255 Q HA -0.414 nan 4.340 nan 0.000 0.205 255 Q C 1.036 176.937 176.000 -0.166 0.000 0.980 255 Q CA 3.639 59.411 55.803 -0.052 0.000 0.862 255 Q CB 0.137 28.740 28.738 -0.226 0.000 0.905 255 Q HN 0.528 8.791 8.270 -0.011 0.000 0.429 256 D N -1.820 118.503 120.400 -0.128 0.000 2.117 256 D HA -0.243 nan 4.640 nan 0.000 0.198 256 D C 1.902 178.236 176.300 0.057 0.000 0.982 256 D CA 3.392 57.354 54.000 -0.064 0.000 0.828 256 D CB -0.475 40.308 40.800 -0.028 0.000 0.967 256 D HN -0.156 8.225 8.370 -0.098 -0.070 0.464 257 K N 0.313 120.773 120.400 0.099 0.000 2.057 257 K HA -0.220 nan 4.320 nan 0.000 0.207 257 K C 1.874 178.565 176.600 0.152 0.000 1.049 257 K CA 2.071 58.455 56.287 0.162 0.000 0.931 257 K CB -0.401 32.232 32.500 0.221 0.000 0.714 257 K HN -0.848 7.663 8.250 0.088 -0.207 0.440 258 F N 1.232 121.129 119.950 -0.090 0.000 2.102 258 F HA -0.341 nan 4.527 nan 0.000 0.298 258 F C 1.676 177.523 175.800 0.079 0.000 1.105 258 F CA 2.653 60.397 58.000 -0.428 0.000 1.239 258 F CB -0.196 38.590 39.000 -0.356 0.000 0.991 258 F HN -0.373 8.062 8.300 0.226 0.000 0.474 259 F N -0.808 118.939 119.950 -0.340 0.000 2.102 259 F HA -0.440 nan 4.527 nan 0.000 0.298 259 F C 2.159 177.864 175.800 -0.158 0.000 1.105 259 F CA 1.987 59.805 58.000 -0.302 0.000 1.239 259 F CB -0.807 38.130 39.000 -0.105 0.000 0.991 259 F HN 0.324 8.751 8.300 0.211 0.000 0.474 260 K N -0.207 120.261 120.400 0.113 0.000 2.032 260 K HA -0.458 nan 4.320 nan 0.000 0.209 260 K C 2.072 178.693 176.600 0.036 0.000 1.048 260 K CA 3.800 60.126 56.287 0.066 0.000 0.927 260 K CB -0.197 32.350 32.500 0.079 0.000 0.712 260 K HN -0.188 8.153 8.250 0.152 0.000 0.441 261 D N -0.952 119.470 120.400 0.036 0.000 2.149 261 D HA -0.178 nan 4.640 nan 0.000 0.201 261 D C 2.339 178.641 176.300 0.005 0.000 0.972 261 D CA 3.038 57.068 54.000 0.050 0.000 0.835 261 D CB -0.394 40.498 40.800 0.153 0.000 0.966 261 D HN -0.220 8.174 8.370 0.040 0.000 0.476 262 F N 1.450 121.277 119.950 -0.205 0.000 2.134 262 F HA -0.384 nan 4.527 nan 0.000 0.299 262 F C 1.436 177.174 175.800 -0.104 0.000 1.097 262 F CA 3.303 61.179 58.000 -0.207 0.000 1.264 262 F CB 0.545 39.245 39.000 -0.501 0.000 1.001 262 F HN 0.263 8.508 8.300 -0.091 0.000 0.479 263 S N -0.489 115.192 115.700 -0.031 0.000 2.351 263 S HA -0.439 nan 4.470 nan 0.000 0.220 263 S C 2.298 176.864 174.600 -0.057 0.000 1.035 263 S CA 4.130 62.313 58.200 -0.028 0.000 1.031 263 S CB -0.309 62.885 63.200 -0.011 0.000 0.928 263 S HN -0.132 8.192 8.310 0.023 0.000 0.433 264 K N -0.025 120.346 120.400 -0.048 0.000 2.057 264 K HA -0.296 nan 4.320 nan 0.000 0.207 264 K C 2.253 178.815 176.600 -0.064 0.000 1.049 264 K CA 3.113 59.373 56.287 -0.045 0.000 0.931 264 K CB -0.072 32.416 32.500 -0.020 0.000 0.714 264 K HN -0.683 7.549 8.250 -0.031 0.000 0.440 265 A N -0.959 121.807 122.820 -0.091 0.000 1.968 265 A HA -0.132 nan 4.320 nan 0.000 0.217 265 A C 1.993 179.518 177.584 -0.100 0.000 1.169 265 A CA 2.814 54.796 52.037 -0.092 0.000 0.638 265 A CB -0.676 18.264 19.000 -0.100 0.000 0.812 265 A HN -0.044 8.049 8.150 -0.096 0.000 0.446 266 F N -0.146 119.556 119.950 -0.415 0.000 2.163 266 F HA -0.301 nan 4.527 nan 0.000 0.297 266 F C 1.298 177.013 175.800 -0.142 0.000 1.094 266 F CA 2.354 60.132 58.000 -0.370 0.000 1.290 266 F CB 0.483 39.063 39.000 -0.699 0.000 1.017 266 F HN 0.289 8.441 8.300 -0.246 0.000 0.483 267 E N 0.160 120.278 120.200 -0.137 0.000 2.049 267 E HA -0.576 nan 4.350 nan 0.000 0.198 267 E C 1.789 178.293 176.600 -0.161 0.000 1.007 267 E CA 3.691 59.999 56.400 -0.152 0.000 0.809 267 E CB -0.233 29.412 29.700 -0.093 0.000 0.749 267 E HN -0.404 7.931 8.360 -0.042 0.000 0.450 268 K N -0.895 119.436 120.400 -0.116 0.000 2.074 268 K HA -0.356 nan 4.320 nan 0.000 0.209 268 K C 2.370 178.903 176.600 -0.111 0.000 1.048 268 K CA 3.068 59.295 56.287 -0.098 0.000 0.926 268 K CB -0.098 32.370 32.500 -0.054 0.000 0.713 268 K HN -0.705 7.487 8.250 -0.096 0.000 0.444 269 L N -1.254 119.918 121.223 -0.085 0.000 2.042 269 L HA -0.307 nan 4.340 nan 0.000 0.210 269 L C 1.746 178.545 176.870 -0.118 0.000 1.076 269 L CA 2.956 57.775 54.840 -0.035 0.000 0.749 269 L CB -0.039 42.066 42.059 0.078 0.000 0.893 269 L HN -0.261 7.921 8.230 -0.079 0.000 0.432 270 L N -4.663 116.428 121.223 -0.220 0.000 2.313 270 L HA -0.295 nan 4.340 nan 0.000 0.214 270 L C 2.274 179.065 176.870 -0.131 0.000 1.119 270 L CA 2.506 57.233 54.840 -0.188 0.000 0.809 270 L CB -0.135 41.773 42.059 -0.253 0.000 0.933 270 L HN -0.175 7.800 8.230 -0.291 0.081 0.449 271 E N -1.766 118.349 120.200 -0.141 0.000 2.474 271 E HA -0.108 nan 4.350 nan 0.000 0.194 271 E C -0.022 176.448 176.600 -0.218 0.000 1.041 271 E CA 0.472 56.824 56.400 -0.080 0.000 0.874 271 E CB 0.217 29.911 29.700 -0.010 0.000 0.914 271 E HN 0.082 8.346 8.360 -0.161 0.000 0.498 272 N N 0.379 118.829 118.700 -0.417 0.000 2.412 272 N HA -0.223 nan 4.740 nan 0.000 0.258 272 N C 0.084 174.921 175.510 -1.122 0.000 1.236 272 N CA 1.737 54.236 53.050 -0.919 0.000 0.882 272 N CB -0.081 37.569 38.487 -1.395 0.000 1.066 272 N HN -0.591 7.590 8.380 -0.331 0.000 0.465 273 G N -0.790 107.411 108.800 -0.998 0.000 2.136 273 G HA2 -0.362 nan 3.960 nan 0.000 0.242 273 G HA3 -0.362 nan 3.960 nan 0.000 0.242 273 G C -1.649 173.157 174.900 -0.156 0.000 0.989 273 G CA 0.606 45.495 45.100 -0.352 0.000 0.682 273 G HN 0.416 8.178 8.290 -0.880 0.000 0.522 274 I N -0.656 119.750 120.570 -0.273 0.000 2.466 274 I HA 0.306 nan 4.170 nan 0.000 0.289 274 I C -1.362 174.464 176.117 -0.486 0.000 1.026 274 I CA -1.640 59.421 61.300 -0.398 0.000 1.078 274 I CB 1.766 39.494 38.000 -0.453 0.000 1.249 274 I HN -0.745 7.248 8.210 -0.298 0.038 0.429 275 T N 8.518 122.798 114.554 -0.456 0.000 2.806 275 T HA 0.349 nan 4.350 nan 0.000 0.290 275 T C -1.250 173.146 174.700 -0.507 0.000 0.966 275 T CA -0.438 61.453 62.100 -0.348 0.000 1.060 275 T CB 0.786 69.539 68.868 -0.192 0.000 0.927 275 T HN 0.691 8.684 8.240 -0.412 0.000 0.485 276 F N 5.510 125.416 119.950 -0.074 0.000 2.361 276 F HA 0.357 nan 4.527 nan 0.000 0.364 276 F C -1.456 174.305 175.800 -0.065 0.000 1.117 276 F CA -3.516 54.436 58.000 -0.080 0.000 1.071 276 F CB 0.381 39.309 39.000 -0.119 0.000 1.188 276 F HN 0.240 8.550 8.300 0.017 0.000 0.464 277 P HA 0.012 nan 4.420 nan 0.000 0.269 277 P C -0.086 177.238 177.300 0.040 0.000 1.217 277 P CA -0.766 62.357 63.100 0.038 0.000 0.783 277 P CB 0.872 32.587 31.700 0.025 0.000 0.898 278 K N 0.382 120.792 120.400 0.016 0.000 2.437 278 K HA -0.021 nan 4.320 nan 0.000 0.198 278 K C -0.446 176.151 176.600 -0.005 0.000 1.024 278 K CA 1.040 57.328 56.287 0.001 0.000 1.148 278 K CB -0.156 32.338 32.500 -0.009 0.000 0.860 278 K HN 0.338 8.594 8.250 0.011 0.000 0.515 279 D N -2.675 117.728 120.400 0.005 0.000 2.323 279 D HA -0.071 nan 4.640 nan 0.000 0.209 279 D C -0.094 176.208 176.300 0.002 0.000 0.973 279 D CA -0.217 53.786 54.000 0.005 0.000 0.874 279 D CB -0.837 39.970 40.800 0.012 0.000 0.930 279 D HN -0.315 8.012 8.370 0.011 0.049 0.521 280 A N 2.371 125.195 122.820 0.006 0.000 2.531 280 A HA -0.026 nan 4.320 nan 0.000 0.236 280 A C -1.372 176.167 177.584 -0.074 0.000 1.062 280 A CA -0.955 51.078 52.037 -0.007 0.000 0.760 280 A CB -0.387 18.636 19.000 0.039 0.000 0.995 280 A HN -0.573 7.426 8.150 0.017 0.162 0.501 281 P HA -0.100 nan 4.420 nan 0.000 0.264 281 P C -0.288 176.817 177.300 -0.325 0.000 1.183 281 P CA -0.092 62.896 63.100 -0.186 0.000 0.763 281 P CB 0.291 31.873 31.700 -0.197 0.000 0.807 282 S N 3.302 118.847 115.700 -0.259 0.000 2.550 282 S HA -0.076 nan 4.470 nan 0.000 0.285 282 S C -0.873 173.450 174.600 -0.462 0.000 1.326 282 S CA 0.185 58.208 58.200 -0.294 0.000 1.037 282 S CB -0.589 62.497 63.200 -0.191 0.000 0.838 282 S HN 0.121 8.332 8.310 -0.166 0.000 0.519 283 P HA 0.002 nan 4.420 nan 0.000 0.265 283 P C -1.256 175.863 177.300 -0.301 0.000 1.193 283 P CA -0.017 62.801 63.100 -0.470 0.000 0.765 283 P CB 0.441 31.922 31.700 -0.366 0.000 0.823 284 F N 3.610 123.409 119.950 -0.250 0.000 2.456 284 F HA 0.017 nan 4.527 nan 0.000 0.358 284 F C -0.158 175.363 175.800 -0.466 0.000 1.095 284 F CA -0.893 56.886 58.000 -0.368 0.000 1.216 284 F CB 0.672 39.433 39.000 -0.399 0.000 1.125 284 F HN 0.426 8.495 8.300 -0.384 0.000 0.549 285 I N 4.339 124.773 120.570 -0.226 0.000 2.337 285 I HA 0.049 nan 4.170 nan 0.000 0.285 285 I C -1.142 174.887 176.117 -0.147 0.000 1.041 285 I CA -1.351 59.845 61.300 -0.172 0.000 1.199 285 I CB -0.254 37.687 38.000 -0.098 0.000 1.370 285 I HN 0.340 8.416 8.210 -0.224 0.000 0.470 286 F N 6.616 126.596 119.950 0.050 0.000 2.484 286 F HA -0.124 nan 4.527 nan 0.000 0.360 286 F C 0.005 175.617 175.800 -0.313 0.000 1.101 286 F CA -0.349 57.540 58.000 -0.185 0.000 1.251 286 F CB 0.264 38.906 39.000 -0.596 0.000 1.132 286 F HN 0.173 8.368 8.300 -0.175 0.000 0.570 287 K N 4.541 124.918 120.400 -0.038 0.000 2.295 287 K HA 0.025 nan 4.320 nan 0.000 0.270 287 K C 0.036 176.522 176.600 -0.189 0.000 1.011 287 K CA 0.542 56.782 56.287 -0.078 0.000 0.953 287 K CB 0.489 32.988 32.500 -0.002 0.000 0.956 287 K HN -0.029 8.296 8.250 0.125 0.000 0.477 288 T N -2.868 111.681 114.554 -0.008 0.000 2.849 288 T HA 0.253 nan 4.350 nan 0.000 0.284 288 T C 1.526 176.303 174.700 0.129 0.000 1.004 288 T CA -1.395 60.788 62.100 0.139 0.000 1.021 288 T CB 1.566 70.517 68.868 0.138 0.000 1.013 288 T HN 0.146 8.747 8.240 0.017 -0.351 0.527 289 L N 1.272 122.597 121.223 0.171 0.000 2.034 289 L HA -0.485 nan 4.340 nan 0.000 0.217 289 L C 2.060 178.972 176.870 0.070 0.000 1.077 289 L CA 3.939 58.840 54.840 0.102 0.000 0.769 289 L CB -0.597 41.513 42.059 0.085 0.000 0.890 289 L HN -0.053 8.515 8.230 0.252 -0.187 0.435 290 E N -1.235 119.008 120.200 0.071 0.000 2.085 290 E HA -0.367 nan 4.350 nan 0.000 0.194 290 E C 2.676 179.306 176.600 0.049 0.000 0.994 290 E CA 2.997 59.431 56.400 0.057 0.000 0.801 290 E CB -0.485 29.250 29.700 0.059 0.000 0.743 290 E HN 0.277 8.687 8.360 0.084 0.000 0.453 291 E N -2.190 118.039 120.200 0.050 0.000 2.204 291 E HA -0.198 nan 4.350 nan 0.000 0.194 291 E C 1.753 178.374 176.600 0.035 0.000 0.989 291 E CA 1.992 58.415 56.400 0.039 0.000 0.824 291 E CB -0.212 29.509 29.700 0.035 0.000 0.756 291 E HN -0.536 7.766 8.360 0.058 0.093 0.477 292 Q N -2.931 116.891 119.800 0.036 0.000 2.425 292 Q HA 0.002 nan 4.340 nan 0.000 0.204 292 Q C 0.952 176.970 176.000 0.030 0.000 0.933 292 Q CA -0.004 55.818 55.803 0.031 0.000 0.939 292 Q CB 0.854 29.609 28.738 0.029 0.000 1.044 292 Q HN -0.492 7.675 8.270 0.043 0.128 0.513 293 G N -1.706 107.113 108.800 0.033 0.000 2.160 293 G HA2 -0.386 nan 3.960 nan 0.000 0.244 293 G HA3 -0.386 nan 3.960 nan 0.000 0.244 293 G C -1.042 173.875 174.900 0.029 0.000 1.022 293 G CA 0.507 45.624 45.100 0.029 0.000 0.741 293 G HN -0.332 7.812 8.290 0.036 0.168 0.508 294 L N 0.000 121.243 121.223 0.034 0.000 2.949 294 L HA 0.000 nan 4.340 nan 0.000 0.249 294 L CA 0.000 54.859 54.840 0.032 0.000 0.813 294 L CB 0.000 42.079 42.059 0.033 0.000 0.961 294 L HN 0.000 8.145 8.230 0.040 0.109 0.502