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 2q9n_1_A DATA FIRST_RESID 2 DATA SEQUENCE PVSEKQLAEV VANTITPLMK AQSVPGMAVA VIYQGKPHYY TFGKADIAAN DATA SEQUENCE KPVTPQTLFE LGSISKTFTG VLGGDAIARG EISLDDAVTR YWPQLTGKQW DATA SEQUENCE QGIRMLDLAT YTAGGLPLQV PDEVTDNASL LRFYQNWQPQ WKPGTTRLYA DATA SEQUENCE NASIGLFGAL AVKPSGMPYE QAMTTRVLKP LKLDHTWINV PKAEEAHYAW DATA SEQUENCE GYRDGKAVRV SPGMLDAQAY GVKTNVQDMA NWVMANMAPE NVADASLKQG DATA SEQUENCE IALAQSRYWR IGSMYQGLGW EMLNWPVEAN TVVEGSDSKV ALAPLPVAEV DATA SEQUENCE NPPAPPVKAS WVHKTGSTGG FGSYVAFIPE KQIGIVMLAN TSYPNPARVE DATA SEQUENCE AAYHILEAL 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.385 177.300 0.142 0.000 1.155 2 P CA 0.000 63.173 63.100 0.122 0.000 0.800 2 P CB 0.000 31.736 31.700 0.061 0.000 0.726 3 V N 1.813 121.846 119.914 0.198 0.000 2.540 3 V HA 0.235 4.374 4.120 0.032 0.000 0.297 3 V C 1.230 177.384 176.094 0.100 0.000 1.024 3 V CA 0.206 62.543 62.300 0.061 0.000 1.105 3 V CB 0.502 32.232 31.823 -0.155 0.000 0.938 3 V HN 0.802 nan 8.190 nan 0.000 0.482 4 S N 3.891 119.619 115.700 0.047 0.000 2.608 4 S HA 0.173 4.662 4.470 0.032 0.000 0.261 4 S C 0.937 175.553 174.600 0.026 0.000 1.314 4 S CA -0.401 57.830 58.200 0.053 0.000 0.992 4 S CB 0.922 64.144 63.200 0.036 0.000 0.935 4 S HN 0.696 nan 8.310 nan 0.000 0.564 5 E N 0.585 120.811 120.200 0.042 0.000 2.204 5 E HA -0.080 4.289 4.350 0.032 0.000 0.194 5 E C 1.817 178.443 176.600 0.044 0.000 0.989 5 E CA 0.913 57.330 56.400 0.029 0.000 0.824 5 E CB -0.276 29.472 29.700 0.079 0.000 0.756 5 E HN 0.795 nan 8.360 nan 0.000 0.477 6 K N 0.669 121.093 120.400 0.041 0.000 1.984 6 K HA -0.146 4.193 4.320 0.032 0.000 0.209 6 K C 2.109 178.722 176.600 0.022 0.000 1.046 6 K CA 1.392 57.704 56.287 0.043 0.000 0.934 6 K CB 0.034 32.556 32.500 0.036 0.000 0.717 6 K HN 0.032 nan 8.250 nan 0.000 0.438 7 Q N 0.429 120.227 119.800 -0.002 0.000 2.096 7 Q HA -0.211 4.148 4.340 0.032 0.000 0.204 7 Q C 2.225 178.189 176.000 -0.061 0.000 0.982 7 Q CA 1.550 57.337 55.803 -0.025 0.000 0.850 7 Q CB -0.293 28.425 28.738 -0.033 0.000 0.901 7 Q HN 0.283 nan 8.270 nan 0.000 0.422 8 L N 0.863 122.029 121.223 -0.096 0.000 2.083 8 L HA -0.119 4.240 4.340 0.032 0.000 0.209 8 L C 2.224 179.005 176.870 -0.149 0.000 1.083 8 L CA 2.003 56.747 54.840 -0.161 0.000 0.752 8 L CB -0.766 41.157 42.059 -0.226 0.000 0.899 8 L HN 0.143 nan 8.230 nan 0.000 0.433 9 A N -0.735 122.071 122.820 -0.023 0.000 1.902 9 A HA -0.224 4.115 4.320 0.032 0.000 0.217 9 A C 2.147 179.703 177.584 -0.048 0.000 1.181 9 A CA 1.865 53.918 52.037 0.026 0.000 0.623 9 A CB -0.591 18.538 19.000 0.216 0.000 0.818 9 A HN 0.631 nan 8.150 nan 0.000 0.443 10 E N -0.410 119.782 120.200 -0.014 0.000 2.047 10 E HA -0.111 4.259 4.350 0.032 0.000 0.191 10 E C 2.004 178.592 176.600 -0.020 0.000 0.987 10 E CA 1.193 57.594 56.400 0.002 0.000 0.799 10 E CB -0.354 29.353 29.700 0.011 0.000 0.752 10 E HN 0.358 nan 8.360 nan 0.000 0.449 11 V N 1.266 121.150 119.914 -0.050 0.000 2.324 11 V HA -0.256 3.883 4.120 0.032 0.000 0.250 11 V C 2.350 178.414 176.094 -0.050 0.000 1.060 11 V CA 1.458 63.735 62.300 -0.039 0.000 1.042 11 V CB -0.371 31.400 31.823 -0.086 0.000 0.650 11 V HN 0.132 nan 8.190 nan 0.000 0.450 12 V N -0.248 119.569 119.914 -0.162 0.000 2.307 12 V HA -0.207 3.932 4.120 0.032 0.000 0.245 12 V C 2.636 178.696 176.094 -0.058 0.000 1.045 12 V CA 1.836 64.025 62.300 -0.186 0.000 1.024 12 V CB -1.007 30.464 31.823 -0.587 0.000 0.651 12 V HN 0.563 nan 8.190 nan 0.000 0.449 13 A N 0.946 123.768 122.820 0.004 0.000 1.849 13 A HA -0.273 4.066 4.320 0.032 0.000 0.217 13 A C 1.830 179.417 177.584 0.004 0.000 1.202 13 A CA 2.401 54.505 52.037 0.112 0.000 0.629 13 A CB -0.936 18.146 19.000 0.137 0.000 0.834 13 A HN 0.602 nan 8.150 nan 0.000 0.447 14 N N -0.531 118.172 118.700 0.005 0.000 2.609 14 N HA -0.017 4.743 4.740 0.032 0.000 0.190 14 N C 0.997 176.485 175.510 -0.037 0.000 1.157 14 N CA 1.355 54.399 53.050 -0.010 0.000 0.918 14 N CB -0.237 38.256 38.487 0.009 0.000 0.978 14 N HN 0.586 nan 8.380 nan 0.000 0.448 15 T N -0.372 114.155 114.554 -0.045 0.000 3.085 15 T HA 0.241 4.610 4.350 0.032 0.000 0.241 15 T C 1.674 176.309 174.700 -0.109 0.000 0.988 15 T CA -0.178 61.894 62.100 -0.047 0.000 1.117 15 T CB 0.490 69.400 68.868 0.070 0.000 0.978 15 T HN -0.022 nan 8.240 nan 0.000 0.454 16 I N 2.216 122.672 120.570 -0.190 0.000 2.286 16 I HA -0.069 4.120 4.170 0.032 0.000 0.245 16 I C 2.559 178.429 176.117 -0.412 0.000 1.104 16 I CA 1.461 62.556 61.300 -0.343 0.000 1.397 16 I CB -1.622 36.038 38.000 -0.566 0.000 1.072 16 I HN 0.244 nan 8.210 nan 0.000 0.417 17 T N 2.052 116.364 114.554 -0.403 0.000 2.652 17 T HA -0.099 4.270 4.350 0.032 0.000 0.267 17 T C -0.229 174.371 174.700 -0.166 0.000 1.039 17 T CA 1.683 63.626 62.100 -0.262 0.000 1.153 17 T CB -1.346 67.448 68.868 -0.122 0.000 0.863 17 T HN 0.193 nan 8.240 nan 0.000 0.428 18 P HA -0.031 nan 4.420 nan 0.000 0.218 18 P C 1.667 178.899 177.300 -0.113 0.000 1.148 18 P CA 0.635 63.675 63.100 -0.100 0.000 0.822 18 P CB -0.160 31.487 31.700 -0.089 0.000 0.784 19 L N -1.518 119.621 121.223 -0.140 0.000 2.141 19 L HA -0.093 4.267 4.340 0.032 0.000 0.209 19 L C 1.893 178.638 176.870 -0.209 0.000 1.094 19 L CA 1.907 56.656 54.840 -0.152 0.000 0.763 19 L CB -0.615 41.360 42.059 -0.139 0.000 0.908 19 L HN 0.061 nan 8.230 nan 0.000 0.437 20 M N -0.643 118.830 119.600 -0.212 0.000 2.288 20 M HA -0.176 4.323 4.480 0.032 0.000 0.266 20 M C 2.173 178.393 176.300 -0.134 0.000 1.072 20 M CA 1.155 56.338 55.300 -0.196 0.000 1.132 20 M CB -0.260 32.236 32.600 -0.173 0.000 1.386 20 M HN 0.161 nan 8.290 nan 0.000 0.432 21 K N 1.195 121.530 120.400 -0.108 0.000 1.973 21 K HA -0.126 4.213 4.320 0.032 0.000 0.212 21 K C 1.995 178.553 176.600 -0.069 0.000 1.047 21 K CA 1.670 57.913 56.287 -0.074 0.000 0.937 21 K CB -0.180 32.284 32.500 -0.060 0.000 0.721 21 K HN 0.237 nan 8.250 nan 0.000 0.440 22 A N 1.103 123.880 122.820 -0.072 0.000 1.986 22 A HA -0.169 4.170 4.320 0.032 0.000 0.220 22 A C 1.755 179.308 177.584 -0.052 0.000 1.171 22 A CA 1.498 53.502 52.037 -0.055 0.000 0.640 22 A CB -0.217 18.753 19.000 -0.049 0.000 0.811 22 A HN 0.477 nan 8.150 nan 0.000 0.451 23 Q N -0.395 119.352 119.800 -0.088 0.000 2.247 23 Q HA 0.107 4.466 4.340 0.032 0.000 0.211 23 Q C 0.343 176.299 176.000 -0.073 0.000 0.861 23 Q CA 0.689 56.444 55.803 -0.079 0.000 0.949 23 Q CB 0.014 28.657 28.738 -0.158 0.000 1.115 23 Q HN 0.915 nan 8.270 nan 0.000 0.507 24 S N -0.710 114.945 115.700 -0.075 0.000 3.405 24 S HA -0.130 4.359 4.470 0.032 0.000 0.373 24 S C 0.127 174.690 174.600 -0.062 0.000 0.939 24 S CA 0.134 58.297 58.200 -0.061 0.000 1.295 24 S CB -2.497 60.679 63.200 -0.039 0.000 0.919 24 S HN 0.151 nan 8.310 nan 0.000 0.535 25 V N 3.196 123.055 119.914 -0.091 0.000 2.383 25 V HA 0.314 4.453 4.120 0.032 0.000 0.275 25 V C -0.186 175.888 176.094 -0.034 0.000 1.036 25 V CA -1.332 60.928 62.300 -0.067 0.000 0.889 25 V CB 1.111 32.839 31.823 -0.158 0.000 0.985 25 V HN 0.451 nan 8.190 nan 0.000 0.459 26 P HA 0.059 nan 4.420 nan 0.000 0.217 26 P C 0.591 177.927 177.300 0.061 0.000 1.151 26 P CA 0.963 64.032 63.100 -0.050 0.000 0.828 26 P CB 0.581 32.151 31.700 -0.217 0.000 0.788 27 G N 0.025 108.916 108.800 0.152 0.000 2.706 27 G HA2 0.681 4.660 3.960 0.032 0.000 0.297 27 G HA3 0.681 4.660 3.960 0.032 0.000 0.297 27 G C -1.200 173.942 174.900 0.403 0.000 1.403 27 G CA -0.702 44.562 45.100 0.274 0.000 0.954 27 G HN 0.150 nan 8.290 nan 0.000 0.500 28 M N 0.449 120.305 119.600 0.427 0.000 2.471 28 M HA 0.820 5.319 4.480 0.032 0.000 0.284 28 M C -1.235 175.309 176.300 0.406 0.000 1.203 28 M CA -1.032 54.496 55.300 0.381 0.000 0.915 28 M CB 2.182 34.924 32.600 0.237 0.000 1.734 28 M HN 1.084 nan 8.290 nan 0.000 0.485 29 A N 2.160 125.100 122.820 0.199 0.000 2.355 29 A HA 0.905 5.244 4.320 0.032 0.000 0.317 29 A C -1.094 176.628 177.584 0.230 0.000 1.094 29 A CA -0.749 51.433 52.037 0.242 0.000 0.764 29 A CB 1.700 20.820 19.000 0.201 0.000 1.230 29 A HN 0.751 nan 8.150 nan 0.000 0.448 30 V N 0.387 120.525 119.914 0.374 0.000 2.823 30 V HA 0.932 5.071 4.120 0.032 0.000 0.312 30 V C 0.116 176.482 176.094 0.452 0.000 1.072 30 V CA -0.171 62.366 62.300 0.395 0.000 0.937 30 V CB 1.738 33.828 31.823 0.445 0.000 1.013 30 V HN 1.651 nan 8.190 nan 0.000 0.430 31 A N 2.011 125.041 122.820 0.350 0.000 2.540 31 A HA 0.762 5.101 4.320 0.032 0.000 0.297 31 A C -0.708 176.996 177.584 0.199 0.000 1.056 31 A CA -0.242 51.937 52.037 0.236 0.000 0.700 31 A CB 1.792 20.894 19.000 0.170 0.000 1.280 31 A HN 1.913 nan 8.150 nan 0.000 0.398 32 V N 1.144 121.158 119.914 0.167 0.000 5.738 32 V HA -0.156 3.983 4.120 0.032 0.000 0.352 32 V C -0.410 175.798 176.094 0.190 0.000 0.534 32 V CA 0.813 63.228 62.300 0.192 0.000 1.243 32 V CB -2.526 29.467 31.823 0.283 0.000 1.437 32 V HN 0.855 nan 8.190 nan 0.000 0.537 33 I N 3.808 124.451 120.570 0.121 0.000 2.307 33 I HA 0.739 4.928 4.170 0.032 0.000 0.289 33 I C -0.384 175.846 176.117 0.189 0.000 1.021 33 I CA -0.481 60.872 61.300 0.087 0.000 1.224 33 I CB 1.478 39.462 38.000 -0.027 0.000 1.376 33 I HN 0.542 nan 8.210 nan 0.000 0.470 34 Y N 5.684 126.033 120.300 0.083 0.000 2.399 34 Y HA 0.203 4.757 4.550 0.007 0.000 0.327 34 Y C -0.450 175.503 175.900 0.087 0.000 1.111 34 Y CA -0.997 57.137 58.100 0.056 0.000 1.047 34 Y CB 1.329 39.806 38.460 0.027 0.000 1.259 34 Y HN 0.645 nan 8.280 nan 0.000 0.434 35 Q N 4.826 124.365 119.800 -0.434 0.000 2.453 35 Q HA -0.237 4.122 4.340 0.032 0.000 0.330 35 Q C 1.086 176.973 176.000 -0.189 0.000 1.417 35 Q CA 1.317 56.874 55.803 -0.409 0.000 0.902 35 Q CB -1.566 26.795 28.738 -0.628 0.000 1.154 35 Q HN 1.583 nan 8.270 nan 0.000 0.395 36 G N -0.473 108.240 108.800 -0.144 0.000 2.302 36 G HA2 -0.371 3.608 3.960 0.032 0.000 0.263 36 G HA3 -0.371 3.608 3.960 0.032 0.000 0.263 36 G C 0.180 175.007 174.900 -0.122 0.000 0.995 36 G CA 1.088 46.116 45.100 -0.121 0.000 0.622 36 G HN 0.357 nan 8.290 nan 0.000 0.538 37 K N 1.123 121.445 120.400 -0.130 0.000 2.328 37 K HA 0.585 4.924 4.320 0.032 0.000 0.246 37 K C -2.575 173.810 176.600 -0.359 0.000 0.955 37 K CA -2.010 54.130 56.287 -0.244 0.000 0.817 37 K CB 3.107 35.414 32.500 -0.322 0.000 1.208 37 K HN 0.050 nan 8.250 nan 0.000 0.432 38 P HA 0.282 nan 4.420 nan 0.000 0.280 38 P C -1.327 175.454 177.300 -0.864 0.000 1.272 38 P CA -0.564 62.255 63.100 -0.469 0.000 0.819 38 P CB 1.001 32.437 31.700 -0.441 0.000 1.122 39 H N -0.991 117.773 119.070 -0.510 0.000 2.934 39 H HA 0.425 5.001 4.556 0.032 0.000 0.340 39 H C -0.814 174.084 175.328 -0.717 0.000 1.008 39 H CA -0.177 55.560 56.048 -0.518 0.000 1.317 39 H CB 0.706 30.374 29.762 -0.156 0.000 1.670 39 H HN 0.262 nan 8.280 nan 0.000 0.516 40 Y N 1.989 122.076 120.300 -0.355 0.000 2.334 40 Y HA 0.448 5.020 4.550 0.036 0.000 0.328 40 Y C -0.651 174.811 175.900 -0.729 0.000 1.130 40 Y CA -0.716 57.171 58.100 -0.355 0.000 1.163 40 Y CB 0.868 39.230 38.460 -0.162 0.000 1.207 40 Y HN 0.535 nan 8.280 nan 0.000 0.471 41 Y N 0.064 120.484 120.300 0.200 0.000 2.396 41 Y HA 0.538 5.106 4.550 0.030 0.000 0.332 41 Y C -0.333 175.502 175.900 -0.109 0.000 1.034 41 Y CA -1.324 56.764 58.100 -0.021 0.000 1.057 41 Y CB 2.134 40.634 38.460 0.066 0.000 1.220 41 Y HN 0.563 nan 8.280 nan 0.000 0.440 42 T N -0.006 114.396 114.554 -0.253 0.000 2.841 42 T HA 0.859 5.229 4.350 0.032 0.000 0.283 42 T C -1.116 173.330 174.700 -0.424 0.000 1.000 42 T CA -0.791 61.225 62.100 -0.139 0.000 0.977 42 T CB 1.223 70.098 68.868 0.011 0.000 0.979 42 T HN 0.290 nan 8.240 nan 0.000 0.446 43 F N 0.490 120.548 119.950 0.180 0.000 2.588 43 F HA 0.734 5.279 4.527 0.030 0.000 0.310 43 F C 1.125 177.005 175.800 0.134 0.000 1.082 43 F CA -0.048 58.035 58.000 0.139 0.000 0.929 43 F CB 1.868 40.938 39.000 0.118 0.000 1.254 43 F HN 1.196 nan 8.300 nan 0.000 0.455 44 G N 2.215 111.187 108.800 0.286 0.000 2.575 44 G HA2 -0.185 3.794 3.960 0.032 0.000 0.267 44 G HA3 -0.185 3.794 3.960 0.032 0.000 0.267 44 G C -1.035 173.958 174.900 0.154 0.000 1.264 44 G CA -0.464 44.746 45.100 0.184 0.000 0.935 44 G HN 0.628 nan 8.290 nan 0.000 0.568 45 K N -0.156 120.317 120.400 0.121 0.000 2.203 45 K HA 0.795 5.134 4.320 0.032 0.000 0.251 45 K C 1.090 177.782 176.600 0.153 0.000 0.944 45 K CA 0.184 56.537 56.287 0.110 0.000 0.829 45 K CB 1.740 34.266 32.500 0.044 0.000 1.125 45 K HN 0.968 nan 8.250 nan 0.000 0.430 46 A N 0.933 123.846 122.820 0.155 0.000 2.044 46 A HA 0.062 4.401 4.320 0.032 0.000 0.213 46 A C -0.137 177.600 177.584 0.256 0.000 1.169 46 A CA 0.925 53.052 52.037 0.150 0.000 0.724 46 A CB 0.137 19.192 19.000 0.091 0.000 0.840 46 A HN 0.601 nan 8.150 nan 0.000 0.463 47 D N -1.349 119.204 120.400 0.256 0.000 2.478 47 D HA 0.402 5.061 4.640 0.032 0.000 0.240 47 D C 0.388 176.805 176.300 0.194 0.000 1.364 47 D CA -0.475 53.733 54.000 0.347 0.000 0.987 47 D CB 0.619 41.603 40.800 0.307 0.000 1.328 47 D HN 0.030 nan 8.370 nan 0.000 0.584 48 I N 2.540 123.182 120.570 0.121 0.000 2.179 48 I HA -0.168 4.022 4.170 0.032 0.000 0.242 48 I C 2.552 178.677 176.117 0.013 0.000 1.088 48 I CA 1.422 62.694 61.300 -0.047 0.000 1.357 48 I CB -0.099 37.739 38.000 -0.269 0.000 1.051 48 I HN 0.532 nan 8.210 nan 0.000 0.409 49 A N 0.469 123.320 122.820 0.051 0.000 1.948 49 A HA -0.203 4.136 4.320 0.032 0.000 0.220 49 A C 2.266 179.863 177.584 0.022 0.000 1.177 49 A CA 2.259 54.306 52.037 0.015 0.000 0.636 49 A CB -0.815 18.173 19.000 -0.020 0.000 0.815 49 A HN 0.468 nan 8.150 nan 0.000 0.449 50 A N -1.872 120.979 122.820 0.053 0.000 2.348 50 A HA 0.353 4.692 4.320 0.032 0.000 0.224 50 A C 0.823 178.435 177.584 0.046 0.000 1.227 50 A CA 0.639 52.705 52.037 0.049 0.000 0.885 50 A CB -0.337 18.705 19.000 0.071 0.000 0.933 50 A HN 0.611 nan 8.150 nan 0.000 0.506 51 N N 0.322 119.049 118.700 0.044 0.000 2.714 51 N HA -0.160 4.599 4.740 0.032 0.000 0.252 51 N C -0.887 174.651 175.510 0.047 0.000 1.014 51 N CA 1.183 54.255 53.050 0.037 0.000 0.735 51 N CB -1.497 37.003 38.487 0.022 0.000 0.924 51 N HN 0.680 nan 8.380 nan 0.000 0.540 52 K N 0.958 121.397 120.400 0.065 0.000 2.253 52 K HA 0.410 4.749 4.320 0.032 0.000 0.277 52 K C -2.174 174.474 176.600 0.080 0.000 1.053 52 K CA -1.599 54.728 56.287 0.066 0.000 0.892 52 K CB 1.360 33.903 32.500 0.072 0.000 1.102 52 K HN 0.171 nan 8.250 nan 0.000 0.469 53 P HA 0.013 nan 4.420 nan 0.000 0.274 53 P C -0.183 177.186 177.300 0.115 0.000 1.237 53 P CA -0.493 62.661 63.100 0.090 0.000 0.793 53 P CB 0.717 32.460 31.700 0.072 0.000 0.977 54 V N 2.030 122.037 119.914 0.155 0.000 2.572 54 V HA 0.197 4.336 4.120 0.032 0.000 0.291 54 V C 1.229 177.420 176.094 0.163 0.000 1.039 54 V CA 0.677 63.102 62.300 0.208 0.000 1.055 54 V CB 0.243 32.267 31.823 0.334 0.000 0.969 54 V HN 0.870 nan 8.190 nan 0.000 0.482 55 T N 3.395 118.044 114.554 0.158 0.000 2.926 55 T HA 0.514 4.883 4.350 0.032 0.000 0.289 55 T C -2.223 172.529 174.700 0.087 0.000 1.054 55 T CA -2.086 60.073 62.100 0.098 0.000 1.015 55 T CB 2.228 71.145 68.868 0.082 0.000 1.167 55 T HN 0.377 nan 8.240 nan 0.000 0.526 56 P HA 0.073 nan 4.420 nan 0.000 0.242 56 P C 0.779 178.009 177.300 -0.117 0.000 1.197 56 P CA 0.712 63.735 63.100 -0.129 0.000 0.765 56 P CB 0.043 31.548 31.700 -0.325 0.000 0.936 57 Q N -1.414 118.358 119.800 -0.047 0.000 2.384 57 Q HA 0.079 4.438 4.340 0.032 0.000 0.207 57 Q C 0.278 176.288 176.000 0.017 0.000 0.904 57 Q CA 0.211 55.951 55.803 -0.105 0.000 0.933 57 Q CB -0.187 28.479 28.738 -0.120 0.000 1.077 57 Q HN 0.117 nan 8.270 nan 0.000 0.522 58 T N 2.269 116.909 114.554 0.145 0.000 2.871 58 T HA 0.078 4.448 4.350 0.032 0.000 0.296 58 T C 0.110 174.918 174.700 0.180 0.000 0.998 58 T CA 0.332 62.533 62.100 0.168 0.000 1.162 58 T CB 0.319 69.296 68.868 0.183 0.000 0.947 58 T HN 0.140 nan 8.240 nan 0.000 0.536 59 L N 3.810 125.086 121.223 0.088 0.000 2.326 59 L HA 0.513 4.872 4.340 0.032 0.000 0.278 59 L C -0.356 176.489 176.870 -0.042 0.000 1.092 59 L CA -0.427 54.449 54.840 0.061 0.000 0.810 59 L CB 0.441 42.462 42.059 -0.063 0.000 1.153 59 L HN 0.547 nan 8.230 nan 0.000 0.439 60 F N 0.566 120.515 119.950 -0.001 0.000 2.577 60 F HA 0.355 4.902 4.527 0.034 0.000 0.318 60 F C 0.275 175.808 175.800 -0.446 0.000 1.065 60 F CA -0.794 57.152 58.000 -0.090 0.000 0.929 60 F CB 1.756 40.854 39.000 0.164 0.000 1.237 60 F HN 0.383 nan 8.300 nan 0.000 0.468 61 E N 2.448 122.095 120.200 -0.922 0.000 2.259 61 E HA 0.213 4.582 4.350 0.032 0.000 0.281 61 E C 0.488 177.005 176.600 -0.138 0.000 1.037 61 E CA -0.078 55.990 56.400 -0.553 0.000 0.854 61 E CB 0.976 30.282 29.700 -0.657 0.000 1.051 61 E HN 0.614 nan 8.360 nan 0.000 0.409 62 L N 2.756 123.963 121.223 -0.027 0.000 2.270 62 L HA 0.069 4.428 4.340 0.032 0.000 0.210 62 L C 1.419 178.363 176.870 0.123 0.000 1.104 62 L CA 0.718 55.605 54.840 0.078 0.000 0.804 62 L CB -0.645 41.451 42.059 0.061 0.000 0.937 62 L HN 0.930 nan 8.230 nan 0.000 0.450 63 G N 0.034 108.908 108.800 0.123 0.000 2.531 63 G HA2 -0.371 3.608 3.960 0.032 0.000 0.274 63 G HA3 -0.371 3.608 3.960 0.032 0.000 0.274 63 G C 0.782 175.801 174.900 0.199 0.000 1.159 63 G CA 0.261 45.471 45.100 0.184 0.000 0.969 63 G HN 0.162 nan 8.290 nan 0.000 0.554 64 S N 0.617 116.430 115.700 0.187 0.000 2.507 64 S HA 0.073 4.562 4.470 0.032 0.000 0.235 64 S C 2.293 176.978 174.600 0.142 0.000 0.988 64 S CA 1.274 59.589 58.200 0.192 0.000 0.944 64 S CB -0.249 63.054 63.200 0.171 0.000 0.762 64 S HN 0.472 nan 8.310 nan 0.000 0.526 65 I N 1.326 121.969 120.570 0.121 0.000 2.850 65 I HA -0.115 4.075 4.170 0.032 0.000 0.266 65 I C 1.936 178.131 176.117 0.129 0.000 1.257 65 I CA 0.507 61.859 61.300 0.087 0.000 1.465 65 I CB -0.410 37.664 38.000 0.125 0.000 1.091 65 I HN 0.192 nan 8.210 nan 0.000 0.467 66 S N 0.931 116.722 115.700 0.152 0.000 2.419 66 S HA -0.162 4.327 4.470 0.032 0.000 0.233 66 S C 1.880 176.608 174.600 0.215 0.000 1.016 66 S CA 1.150 59.455 58.200 0.176 0.000 0.974 66 S CB -0.149 63.091 63.200 0.068 0.000 0.786 66 S HN 0.449 nan 8.310 nan 0.000 0.492 67 K N 0.971 121.464 120.400 0.154 0.000 2.211 67 K HA -0.111 4.229 4.320 0.032 0.000 0.204 67 K C 2.430 179.061 176.600 0.051 0.000 1.047 67 K CA 1.632 58.005 56.287 0.143 0.000 0.935 67 K CB -0.456 32.148 32.500 0.173 0.000 0.728 67 K HN 0.605 nan 8.250 nan 0.000 0.452 68 T N -1.257 113.228 114.554 -0.114 0.000 2.821 68 T HA -0.107 4.262 4.350 0.032 0.000 0.267 68 T C 1.748 176.489 174.700 0.067 0.000 1.046 68 T CA 0.889 62.754 62.100 -0.391 0.000 1.139 68 T CB -0.404 67.845 68.868 -1.032 0.000 0.871 68 T HN 0.046 nan 8.240 nan 0.000 0.454 69 F N 2.221 122.231 119.950 0.099 0.000 2.146 69 F HA 0.035 4.582 4.527 0.033 0.000 0.298 69 F C 3.011 178.890 175.800 0.132 0.000 1.096 69 F CA 1.348 59.373 58.000 0.042 0.000 1.275 69 F CB -1.055 37.765 39.000 -0.301 0.000 1.008 69 F HN 0.136 nan 8.300 nan 0.000 0.480 70 T N -0.575 114.186 114.554 0.344 0.000 2.759 70 T HA -0.149 4.220 4.350 0.032 0.000 0.269 70 T C 2.345 177.260 174.700 0.358 0.000 1.042 70 T CA 1.345 63.660 62.100 0.357 0.000 1.140 70 T CB -1.026 68.048 68.868 0.343 0.000 0.864 70 T HN 0.451 nan 8.240 nan 0.000 0.455 71 G N 0.985 109.953 108.800 0.280 0.000 2.404 71 G HA2 -0.151 3.828 3.960 0.032 0.000 0.215 71 G HA3 -0.151 3.828 3.960 0.032 0.000 0.215 71 G C 1.691 176.763 174.900 0.286 0.000 1.174 71 G CA 0.727 45.980 45.100 0.255 0.000 0.780 71 G HN 0.435 nan 8.290 nan 0.000 0.537 72 V N 0.708 120.802 119.914 0.300 0.000 2.427 72 V HA -0.085 4.054 4.120 0.032 0.000 0.248 72 V C 2.655 178.882 176.094 0.222 0.000 1.051 72 V CA 1.476 63.945 62.300 0.281 0.000 1.048 72 V CB -0.258 31.782 31.823 0.362 0.000 0.666 72 V HN 0.350 nan 8.190 nan 0.000 0.456 73 L N 1.397 122.745 121.223 0.208 0.000 2.083 73 L HA -0.001 4.358 4.340 0.032 0.000 0.209 73 L C 2.245 179.160 176.870 0.076 0.000 1.083 73 L CA 2.397 57.294 54.840 0.094 0.000 0.752 73 L CB -1.242 40.817 42.059 0.000 0.000 0.899 73 L HN 0.244 nan 8.230 nan 0.000 0.433 74 G N -1.055 107.847 108.800 0.170 0.000 2.402 74 G HA2 -0.156 3.823 3.960 0.032 0.000 0.216 74 G HA3 -0.156 3.823 3.960 0.032 0.000 0.216 74 G C 1.509 176.532 174.900 0.205 0.000 1.162 74 G CA 0.455 45.669 45.100 0.190 0.000 0.777 74 G HN 0.573 nan 8.290 nan 0.000 0.539 75 G N 0.488 109.417 108.800 0.216 0.000 2.432 75 G HA2 -0.186 3.793 3.960 0.032 0.000 0.219 75 G HA3 -0.186 3.793 3.960 0.032 0.000 0.219 75 G C 1.405 176.368 174.900 0.106 0.000 1.135 75 G CA 1.310 46.509 45.100 0.165 0.000 0.767 75 G HN 0.496 nan 8.290 nan 0.000 0.550 76 D N 0.550 121.002 120.400 0.087 0.000 2.117 76 D HA 0.037 4.696 4.640 0.032 0.000 0.198 76 D C 2.682 178.996 176.300 0.022 0.000 0.982 76 D CA 1.367 55.396 54.000 0.048 0.000 0.828 76 D CB -0.231 40.593 40.800 0.039 0.000 0.967 76 D HN 0.221 nan 8.370 nan 0.000 0.464 77 A N 0.064 122.887 122.820 0.005 0.000 1.933 77 A HA -0.104 4.235 4.320 0.032 0.000 0.218 77 A C 2.326 179.909 177.584 -0.001 0.000 1.175 77 A CA 1.058 53.077 52.037 -0.029 0.000 0.628 77 A CB -0.750 18.195 19.000 -0.091 0.000 0.814 77 A HN 0.387 nan 8.150 nan 0.000 0.444 78 I N -0.275 120.317 120.570 0.037 0.000 2.179 78 I HA -0.268 3.921 4.170 0.032 0.000 0.242 78 I C 2.987 179.133 176.117 0.048 0.000 1.088 78 I CA 1.055 62.390 61.300 0.059 0.000 1.357 78 I CB -0.442 37.617 38.000 0.098 0.000 1.051 78 I HN 0.344 nan 8.210 nan 0.000 0.409 79 A N 1.004 123.851 122.820 0.045 0.000 1.940 79 A HA -0.222 4.117 4.320 0.032 0.000 0.219 79 A C 2.323 179.920 177.584 0.022 0.000 1.176 79 A CA 1.684 53.741 52.037 0.033 0.000 0.631 79 A CB -0.618 18.400 19.000 0.030 0.000 0.814 79 A HN 0.379 nan 8.150 nan 0.000 0.446 80 R N -1.754 118.754 120.500 0.014 0.000 2.276 80 R HA 0.188 4.547 4.340 0.032 0.000 0.203 80 R C 1.425 177.732 176.300 0.011 0.000 1.017 80 R CA 0.583 56.687 56.100 0.007 0.000 1.010 80 R CB -0.139 30.158 30.300 -0.005 0.000 0.900 80 R HN 0.729 nan 8.270 nan 0.000 0.469 81 G N 1.046 109.858 108.800 0.020 0.000 2.176 81 G HA2 -0.320 3.659 3.960 0.032 0.000 0.253 81 G HA3 -0.320 3.659 3.960 0.032 0.000 0.253 81 G C 0.570 175.489 174.900 0.030 0.000 0.979 81 G CA 0.463 45.580 45.100 0.030 0.000 0.641 81 G HN 0.453 nan 8.290 nan 0.000 0.530 82 E N -0.996 119.209 120.200 0.008 0.000 2.274 82 E HA 0.284 4.653 4.350 0.032 0.000 0.194 82 E C 0.797 177.394 176.600 -0.005 0.000 0.996 82 E CA 0.798 57.195 56.400 -0.004 0.000 0.840 82 E CB 0.431 30.102 29.700 -0.049 0.000 0.772 82 E HN 0.572 nan 8.360 nan 0.000 0.491 83 I N -1.031 119.538 120.570 -0.003 0.000 3.006 83 I HA 0.187 4.376 4.170 0.032 0.000 0.306 83 I C -1.455 174.721 176.117 0.099 0.000 1.250 83 I CA -0.669 60.638 61.300 0.012 0.000 0.996 83 I CB 2.614 40.511 38.000 -0.172 0.000 1.261 83 I HN -0.237 nan 8.210 nan 0.000 0.442 84 S N 4.453 120.258 115.700 0.175 0.000 2.571 84 S HA 0.405 4.895 4.470 0.032 0.000 0.284 84 S C 0.452 175.164 174.600 0.187 0.000 1.128 84 S CA -0.538 57.757 58.200 0.158 0.000 0.970 84 S CB 0.972 64.255 63.200 0.138 0.000 1.039 84 S HN 0.516 nan 8.310 nan 0.000 0.485 85 L N 3.254 124.570 121.223 0.156 0.000 2.129 85 L HA -0.051 4.308 4.340 0.032 0.000 0.212 85 L C 1.809 178.764 176.870 0.142 0.000 1.087 85 L CA 1.849 56.772 54.840 0.138 0.000 0.757 85 L CB -0.844 41.257 42.059 0.070 0.000 0.896 85 L HN 0.738 nan 8.230 nan 0.000 0.434 86 D N -0.724 119.754 120.400 0.130 0.000 2.317 86 D HA -0.057 4.602 4.640 0.032 0.000 0.211 86 D C 0.364 176.740 176.300 0.127 0.000 0.966 86 D CA 0.286 54.356 54.000 0.117 0.000 0.876 86 D CB -0.024 40.831 40.800 0.092 0.000 0.927 86 D HN 0.364 nan 8.370 nan 0.000 0.519 87 D N 0.949 121.442 120.400 0.156 0.000 2.399 87 D HA 0.216 4.875 4.640 0.032 0.000 0.241 87 D C 0.393 176.771 176.300 0.131 0.000 1.133 87 D CA 0.072 54.149 54.000 0.129 0.000 0.890 87 D CB 0.920 41.820 40.800 0.166 0.000 1.201 87 D HN -0.043 nan 8.370 nan 0.000 0.432 88 A N 1.825 124.684 122.820 0.066 0.000 2.477 88 A HA 0.118 4.457 4.320 0.032 0.000 0.246 88 A C 1.544 179.181 177.584 0.087 0.000 1.078 88 A CA -0.549 51.544 52.037 0.093 0.000 0.770 88 A CB 0.429 19.465 19.000 0.059 0.000 1.011 88 A HN 0.452 nan 8.150 nan 0.000 0.494 89 V N 2.679 122.704 119.914 0.185 0.000 2.453 89 V HA -0.223 3.916 4.120 0.032 0.000 0.252 89 V C 2.681 178.828 176.094 0.088 0.000 1.068 89 V CA 2.650 65.068 62.300 0.196 0.000 1.070 89 V CB -0.981 30.990 31.823 0.247 0.000 0.664 89 V HN 1.040 nan 8.190 nan 0.000 0.461 90 T N -1.036 113.546 114.554 0.046 0.000 2.897 90 T HA -0.213 4.156 4.350 0.032 0.000 0.271 90 T C 2.049 176.705 174.700 -0.074 0.000 1.084 90 T CA 1.292 63.385 62.100 -0.013 0.000 1.123 90 T CB -0.314 68.565 68.868 0.018 0.000 0.865 90 T HN 0.403 nan 8.240 nan 0.000 0.496 91 R N -0.723 119.649 120.500 -0.213 0.000 2.189 91 R HA -0.056 4.303 4.340 0.032 0.000 0.223 91 R C 0.737 176.693 176.300 -0.573 0.000 1.092 91 R CA 1.202 57.032 56.100 -0.451 0.000 0.989 91 R CB 0.003 29.897 30.300 -0.677 0.000 0.876 91 R HN 0.493 nan 8.270 nan 0.000 0.457 92 Y N -3.122 117.213 120.300 0.059 0.000 2.557 92 Y HA 0.180 4.749 4.550 0.032 0.000 0.247 92 Y C -0.252 175.705 175.900 0.095 0.000 1.164 92 Y CA -0.637 57.485 58.100 0.035 0.000 1.218 92 Y CB 0.625 39.074 38.460 -0.019 0.000 1.210 92 Y HN 0.064 nan 8.280 nan 0.000 0.529 93 W N 2.067 123.347 121.300 -0.033 0.000 1.982 93 W HA 0.402 5.081 4.660 0.032 0.000 0.299 93 W C -2.659 173.798 176.519 -0.103 0.000 1.011 93 W CA -3.297 54.000 57.345 -0.080 0.000 1.324 93 W CB 1.038 30.404 29.460 -0.156 0.000 1.372 93 W HN -0.110 nan 8.180 nan 0.000 0.323 94 P HA -0.211 nan 4.420 nan 0.000 0.218 94 P C 1.471 178.725 177.300 -0.077 0.000 1.149 94 P CA 1.904 65.008 63.100 0.008 0.000 0.817 94 P CB 0.517 32.238 31.700 0.035 0.000 0.785 95 Q N -0.673 119.069 119.800 -0.097 0.000 2.181 95 Q HA -0.072 4.287 4.340 0.032 0.000 0.205 95 Q C 1.071 176.817 176.000 -0.423 0.000 0.980 95 Q CA 0.702 56.373 55.803 -0.219 0.000 0.862 95 Q CB -0.955 27.686 28.738 -0.162 0.000 0.905 95 Q HN 0.261 nan 8.270 nan 0.000 0.429 96 L N 2.448 123.258 121.223 -0.689 0.000 2.449 96 L HA -0.017 4.342 4.340 0.032 0.000 0.266 96 L C 0.670 177.357 176.870 -0.305 0.000 1.321 96 L CA 0.420 54.845 54.840 -0.692 0.000 1.194 96 L CB -0.408 41.087 42.059 -0.940 0.000 1.384 96 L HN 0.435 nan 8.230 nan 0.000 0.438 97 T N -2.375 112.072 114.554 -0.179 0.000 3.067 97 T HA 0.014 4.383 4.350 0.032 0.000 0.257 97 T C 1.150 175.864 174.700 0.023 0.000 1.105 97 T CA 0.188 62.253 62.100 -0.058 0.000 1.104 97 T CB -0.020 68.817 68.868 -0.052 0.000 0.925 97 T HN 0.498 nan 8.240 nan 0.000 0.498 98 G N 1.880 110.721 108.800 0.068 0.000 2.224 98 G HA2 0.140 4.119 3.960 0.032 0.000 0.239 98 G HA3 0.140 4.119 3.960 0.032 0.000 0.239 98 G C 0.788 175.785 174.900 0.162 0.000 1.240 98 G CA -0.585 44.593 45.100 0.130 0.000 0.896 98 G HN 0.165 nan 8.290 nan 0.000 0.496 99 K N 1.593 122.042 120.400 0.081 0.000 2.442 99 K HA -0.118 4.221 4.320 0.032 0.000 0.198 99 K C 2.504 179.133 176.600 0.049 0.000 1.044 99 K CA 0.991 57.316 56.287 0.063 0.000 0.948 99 K CB 0.072 32.586 32.500 0.023 0.000 0.762 99 K HN 0.849 nan 8.250 nan 0.000 0.472 100 Q N -0.691 119.116 119.800 0.012 0.000 2.369 100 Q HA -0.151 4.208 4.340 0.032 0.000 0.206 100 Q C 1.199 177.116 176.000 -0.137 0.000 0.963 100 Q CA 1.018 56.746 55.803 -0.125 0.000 0.894 100 Q CB -0.350 28.216 28.738 -0.286 0.000 0.965 100 Q HN 0.371 nan 8.270 nan 0.000 0.475 101 W N 2.011 123.352 121.300 0.069 0.000 2.658 101 W HA 0.084 4.763 4.660 0.031 0.000 0.263 101 W C 2.406 178.978 176.519 0.088 0.000 1.274 101 W CA 0.457 57.872 57.345 0.116 0.000 1.343 101 W CB -0.027 29.490 29.460 0.095 0.000 1.106 101 W HN 0.260 nan 8.180 nan 0.000 0.615 102 Q N 0.435 120.372 119.800 0.227 0.000 2.032 102 Q HA -0.275 4.085 4.340 0.032 0.000 0.217 102 Q C 1.882 177.967 176.000 0.142 0.000 1.058 102 Q CA 2.593 58.487 55.803 0.151 0.000 0.911 102 Q CB -1.208 27.584 28.738 0.091 0.000 1.045 102 Q HN 0.299 nan 8.270 nan 0.000 0.429 103 G N 0.462 109.331 108.800 0.116 0.000 3.279 103 G HA2 0.259 4.238 3.960 0.032 0.000 0.230 103 G HA3 0.259 4.238 3.960 0.032 0.000 0.230 103 G C 0.298 175.288 174.900 0.150 0.000 1.230 103 G CA -0.329 44.841 45.100 0.117 0.000 0.891 103 G HN 0.280 nan 8.290 nan 0.000 0.518 104 I N 0.770 121.459 120.570 0.198 0.000 2.331 104 I HA 0.371 4.560 4.170 0.032 0.000 0.292 104 I C 0.329 176.605 176.117 0.264 0.000 0.998 104 I CA -0.653 60.793 61.300 0.244 0.000 1.267 104 I CB 1.312 39.498 38.000 0.311 0.000 1.386 104 I HN 0.021 nan 8.210 nan 0.000 0.476 105 R N 4.544 125.187 120.500 0.238 0.000 2.782 105 R HA 0.451 4.810 4.340 0.032 0.000 0.258 105 R C 0.820 177.266 176.300 0.244 0.000 1.055 105 R CA -0.989 55.245 56.100 0.224 0.000 1.065 105 R CB 1.092 31.507 30.300 0.192 0.000 1.172 105 R HN 0.498 nan 8.270 nan 0.000 0.510 106 M N 1.051 120.805 119.600 0.258 0.000 2.213 106 M HA -0.134 4.365 4.480 0.032 0.000 0.263 106 M C 1.921 178.335 176.300 0.190 0.000 1.062 106 M CA 1.424 56.914 55.300 0.317 0.000 1.105 106 M CB -0.690 32.137 32.600 0.379 0.000 1.385 106 M HN 0.585 nan 8.290 nan 0.000 0.417 107 L N 0.476 121.764 121.223 0.109 0.000 2.017 107 L HA -0.235 4.124 4.340 0.032 0.000 0.208 107 L C 1.684 178.575 176.870 0.035 0.000 1.073 107 L CA 2.067 56.895 54.840 -0.020 0.000 0.745 107 L CB -0.926 41.154 42.059 0.035 0.000 0.894 107 L HN 0.260 nan 8.230 nan 0.000 0.432 108 D N 0.119 120.615 120.400 0.159 0.000 2.123 108 D HA -0.236 4.423 4.640 0.032 0.000 0.196 108 D C 2.392 178.724 176.300 0.054 0.000 0.992 108 D CA 1.273 55.364 54.000 0.151 0.000 0.833 108 D CB -0.113 40.795 40.800 0.179 0.000 0.954 108 D HN 0.394 nan 8.370 nan 0.000 0.455 109 L N 0.795 122.070 121.223 0.088 0.000 2.017 109 L HA -0.143 4.216 4.340 0.032 0.000 0.208 109 L C 2.636 179.444 176.870 -0.104 0.000 1.073 109 L CA 1.167 56.057 54.840 0.083 0.000 0.745 109 L CB -0.559 41.632 42.059 0.220 0.000 0.894 109 L HN -0.016 nan 8.230 nan 0.000 0.432 110 A N -0.287 122.317 122.820 -0.361 0.000 2.067 110 A HA -0.139 4.200 4.320 0.032 0.000 0.219 110 A C 1.939 179.114 177.584 -0.681 0.000 1.158 110 A CA 1.903 53.428 52.037 -0.853 0.000 0.661 110 A CB -0.609 17.348 19.000 -1.738 0.000 0.801 110 A HN 0.537 nan 8.150 nan 0.000 0.452 111 T N -6.368 107.902 114.554 -0.473 0.000 3.182 111 T HA 0.339 4.708 4.350 0.032 0.000 0.277 111 T C 0.155 174.645 174.700 -0.351 0.000 1.013 111 T CA 0.047 61.894 62.100 -0.421 0.000 0.900 111 T CB -0.589 68.321 68.868 0.069 0.000 1.098 111 T HN 0.592 nan 8.240 nan 0.000 0.543 112 Y N -0.633 119.654 120.300 -0.022 0.000 4.177 112 Y HA -0.220 4.349 4.550 0.031 0.000 0.227 112 Y C 1.271 177.094 175.900 -0.128 0.000 1.154 112 Y CA 0.462 58.535 58.100 -0.044 0.000 1.887 112 Y CB -3.111 35.347 38.460 -0.003 0.000 1.594 112 Y HN 0.393 nan 8.280 nan 0.000 0.668 113 T N -1.514 112.998 114.554 -0.070 0.000 3.129 113 T HA 0.503 4.872 4.350 0.032 0.000 0.267 113 T C 1.591 176.253 174.700 -0.063 0.000 1.018 113 T CA 0.548 62.509 62.100 -0.232 0.000 0.903 113 T CB 0.015 68.532 68.868 -0.585 0.000 1.067 113 T HN 0.542 nan 8.240 nan 0.000 0.549 114 A N 0.588 123.436 122.820 0.046 0.000 2.168 114 A HA 0.493 4.832 4.320 0.032 0.000 0.215 114 A C 1.702 179.438 177.584 0.253 0.000 1.152 114 A CA 0.828 52.939 52.037 0.122 0.000 0.716 114 A CB -0.380 18.662 19.000 0.071 0.000 0.794 114 A HN 0.768 nan 8.150 nan 0.000 0.465 115 G N -2.852 106.116 108.800 0.278 0.000 2.189 115 G HA2 0.387 4.366 3.960 0.032 0.000 0.113 115 G HA3 0.387 4.366 3.960 0.032 0.000 0.113 115 G C 0.971 176.316 174.900 0.741 0.000 1.038 115 G CA 0.277 45.651 45.100 0.456 0.000 0.704 115 G HN 2.026 nan 8.290 nan 0.000 0.490 116 G N -0.919 108.263 108.800 0.638 0.000 2.288 116 G HA2 -0.068 3.911 3.960 0.032 0.000 0.205 116 G HA3 -0.068 3.911 3.960 0.032 0.000 0.205 116 G C 0.269 175.511 174.900 0.569 0.000 1.071 116 G CA 0.023 45.551 45.100 0.714 0.000 0.788 116 G HN 1.254 nan 8.290 nan 0.000 0.491 117 L N 1.874 123.222 121.223 0.209 0.000 2.410 117 L HA 0.343 4.702 4.340 0.032 0.000 0.273 117 L C -0.832 176.080 176.870 0.071 0.000 1.152 117 L CA -1.724 53.030 54.840 -0.142 0.000 0.855 117 L CB 0.678 42.568 42.059 -0.282 0.000 1.129 117 L HN 0.115 nan 8.230 nan 0.000 0.463 118 P HA -0.077 nan 4.420 nan 0.000 0.269 118 P C 0.640 177.954 177.300 0.023 0.000 1.215 118 P CA -0.469 62.703 63.100 0.119 0.000 0.780 118 P CB 0.990 32.801 31.700 0.185 0.000 0.898 119 L N 0.761 121.959 121.223 -0.042 0.000 2.089 119 L HA -0.180 4.179 4.340 0.032 0.000 0.213 119 L C 0.924 177.722 176.870 -0.121 0.000 1.079 119 L CA 1.997 56.739 54.840 -0.164 0.000 0.758 119 L CB -0.577 41.410 42.059 -0.120 0.000 0.891 119 L HN 0.413 nan 8.230 nan 0.000 0.433 120 Q N -1.266 118.500 119.800 -0.057 0.000 2.451 120 Q HA 0.397 4.756 4.340 0.032 0.000 0.281 120 Q C -1.050 174.882 176.000 -0.114 0.000 1.099 120 Q CA -0.949 54.811 55.803 -0.072 0.000 0.806 120 Q CB 2.236 30.918 28.738 -0.093 0.000 1.419 120 Q HN -0.172 nan 8.270 nan 0.000 0.427 121 V N 3.992 123.804 119.914 -0.170 0.000 2.432 121 V HA 0.185 4.324 4.120 0.032 0.000 0.271 121 V C -1.798 174.036 176.094 -0.434 0.000 1.046 121 V CA -1.156 60.875 62.300 -0.448 0.000 0.945 121 V CB 0.851 32.529 31.823 -0.241 0.000 0.992 121 V HN 0.610 nan 8.190 nan 0.000 0.471 122 P HA 0.089 nan 4.420 nan 0.000 0.268 122 P C 0.001 177.166 177.300 -0.224 0.000 1.208 122 P CA -0.105 62.795 63.100 -0.332 0.000 0.777 122 P CB 0.903 32.421 31.700 -0.304 0.000 0.875 123 D N 0.172 120.497 120.400 -0.125 0.000 2.264 123 D HA -0.174 4.485 4.640 0.032 0.000 0.208 123 D C 1.704 177.968 176.300 -0.060 0.000 0.966 123 D CA 0.919 54.874 54.000 -0.075 0.000 0.864 123 D CB -0.161 40.612 40.800 -0.045 0.000 0.933 123 D HN 0.610 nan 8.370 nan 0.000 0.499 124 E N 1.153 121.314 120.200 -0.065 0.000 2.418 124 E HA -0.109 4.260 4.350 0.032 0.000 0.197 124 E C 0.182 176.761 176.600 -0.036 0.000 1.026 124 E CA 0.434 56.813 56.400 -0.035 0.000 0.862 124 E CB 0.153 29.842 29.700 -0.017 0.000 0.799 124 E HN 0.077 nan 8.360 nan 0.000 0.518 125 V N 3.316 123.183 119.914 -0.078 0.000 2.326 125 V HA 0.018 4.157 4.120 0.032 0.000 0.249 125 V C 1.312 177.387 176.094 -0.031 0.000 1.114 125 V CA 0.859 63.121 62.300 -0.064 0.000 1.028 125 V CB 0.428 32.154 31.823 -0.162 0.000 1.170 125 V HN 0.411 nan 8.190 nan 0.000 0.494 126 T N -0.590 113.962 114.554 -0.002 0.000 2.971 126 T HA 0.184 4.553 4.350 0.032 0.000 0.252 126 T C 0.318 175.026 174.700 0.014 0.000 1.022 126 T CA 0.265 62.367 62.100 0.003 0.000 0.980 126 T CB 0.350 69.221 68.868 0.005 0.000 1.044 126 T HN 0.640 nan 8.240 nan 0.000 0.501 127 D N 0.228 120.646 120.400 0.031 0.000 2.781 127 D HA 0.299 4.958 4.640 0.032 0.000 0.295 127 D C 0.687 177.031 176.300 0.072 0.000 1.143 127 D CA -0.931 53.093 54.000 0.040 0.000 1.076 127 D CB 0.307 41.129 40.800 0.038 0.000 1.444 127 D HN -0.040 nan 8.370 nan 0.000 0.567 128 N N -0.776 117.970 118.700 0.077 0.000 2.142 128 N HA -0.113 4.646 4.740 0.032 0.000 0.186 128 N C 1.714 177.332 175.510 0.180 0.000 1.023 128 N CA 1.988 55.112 53.050 0.124 0.000 0.852 128 N CB -0.218 38.327 38.487 0.097 0.000 0.998 128 N HN 0.461 nan 8.380 nan 0.000 0.424 129 A N -0.210 122.688 122.820 0.130 0.000 1.933 129 A HA -0.124 4.215 4.320 0.032 0.000 0.218 129 A C 2.248 179.914 177.584 0.135 0.000 1.175 129 A CA 1.973 54.085 52.037 0.125 0.000 0.628 129 A CB -0.898 18.153 19.000 0.084 0.000 0.814 129 A HN 0.536 nan 8.150 nan 0.000 0.444 130 S N -0.886 114.889 115.700 0.124 0.000 2.470 130 S HA 0.006 4.495 4.470 0.032 0.000 0.225 130 S C 1.737 176.447 174.600 0.183 0.000 1.006 130 S CA 0.982 59.257 58.200 0.123 0.000 0.934 130 S CB -0.383 62.862 63.200 0.074 0.000 0.778 130 S HN 0.321 nan 8.310 nan 0.000 0.517 131 L N 1.452 122.814 121.223 0.232 0.000 2.027 131 L HA 0.193 4.552 4.340 0.032 0.000 0.206 131 L C 2.301 179.486 176.870 0.525 0.000 1.074 131 L CA 1.399 56.457 54.840 0.363 0.000 0.745 131 L CB -0.680 41.613 42.059 0.389 0.000 0.898 131 L HN 0.371 nan 8.230 nan 0.000 0.433 132 L N -0.911 120.588 121.223 0.460 0.000 1.970 132 L HA -0.261 4.098 4.340 0.032 0.000 0.212 132 L C 2.864 179.804 176.870 0.118 0.000 1.071 132 L CA 1.437 56.413 54.840 0.225 0.000 0.751 132 L CB -0.385 41.765 42.059 0.151 0.000 0.889 132 L HN 0.296 nan 8.230 nan 0.000 0.432 133 R N -0.704 119.880 120.500 0.140 0.000 2.096 133 R HA -0.251 4.108 4.340 0.032 0.000 0.240 133 R C 2.166 178.559 176.300 0.155 0.000 1.139 133 R CA 2.035 58.206 56.100 0.117 0.000 0.952 133 R CB -0.984 29.383 30.300 0.112 0.000 0.854 133 R HN 0.357 nan 8.270 nan 0.000 0.436 134 F N 0.792 120.766 119.950 0.039 0.000 2.043 134 F HA -0.298 4.248 4.527 0.032 0.000 0.297 134 F C 1.957 177.791 175.800 0.056 0.000 1.121 134 F CA 1.577 59.563 58.000 -0.023 0.000 1.199 134 F CB -0.940 37.949 39.000 -0.185 0.000 0.968 134 F HN -0.038 nan 8.300 nan 0.000 0.478 135 Y N 0.528 120.754 120.300 -0.123 0.000 2.242 135 Y HA -0.179 4.390 4.550 0.032 0.000 0.291 135 Y C 2.683 178.713 175.900 0.215 0.000 1.137 135 Y CA 1.606 59.674 58.100 -0.054 0.000 1.181 135 Y CB -1.048 37.427 38.460 0.025 0.000 0.989 135 Y HN 0.184 nan 8.280 nan 0.000 0.527 136 Q N -0.120 119.799 119.800 0.198 0.000 2.226 136 Q HA -0.206 4.153 4.340 0.032 0.000 0.204 136 Q C 1.675 177.776 176.000 0.168 0.000 0.975 136 Q CA 1.565 57.464 55.803 0.159 0.000 0.866 136 Q CB -0.445 28.304 28.738 0.017 0.000 0.915 136 Q HN 0.572 nan 8.270 nan 0.000 0.440 137 N N -0.805 117.968 118.700 0.122 0.000 2.392 137 N HA -0.087 4.672 4.740 0.032 0.000 0.177 137 N C -0.120 175.437 175.510 0.077 0.000 1.066 137 N CA -0.200 52.898 53.050 0.080 0.000 0.895 137 N CB 0.079 38.610 38.487 0.074 0.000 0.988 137 N HN 0.120 nan 8.380 nan 0.000 0.457 138 W N 2.482 123.715 121.300 -0.112 0.000 2.347 138 W HA 0.131 4.810 4.660 0.032 0.000 0.333 138 W C -0.869 175.571 176.519 -0.132 0.000 1.383 138 W CA 0.043 57.293 57.345 -0.158 0.000 1.283 138 W CB 0.302 29.629 29.460 -0.221 0.000 1.253 138 W HN 0.109 nan 8.180 nan 0.000 0.563 139 Q N 8.053 127.389 119.800 -0.772 0.000 2.394 139 Q HA 0.288 4.647 4.340 0.032 0.000 0.259 139 Q C -2.014 173.271 176.000 -1.191 0.000 1.021 139 Q CA -2.002 53.290 55.803 -0.852 0.000 0.805 139 Q CB 1.147 29.633 28.738 -0.421 0.000 1.226 139 Q HN 0.255 nan 8.270 nan 0.000 0.476 140 P HA -0.144 nan 4.420 nan 0.000 0.264 140 P C -0.114 176.872 177.300 -0.524 0.000 1.183 140 P CA 0.281 62.746 63.100 -1.059 0.000 0.763 140 P CB 0.748 31.939 31.700 -0.848 0.000 0.807 141 Q N 2.204 121.778 119.800 -0.377 0.000 2.302 141 Q HA 0.022 4.381 4.340 0.032 0.000 0.202 141 Q C -0.283 175.333 176.000 -0.641 0.000 0.936 141 Q CA 0.707 56.121 55.803 -0.648 0.000 0.886 141 Q CB 0.311 28.393 28.738 -1.094 0.000 0.986 141 Q HN 0.514 nan 8.270 nan 0.000 0.487 142 W N 1.049 122.306 121.300 -0.072 0.000 2.902 142 W HA 0.431 5.111 4.660 0.033 0.000 0.346 142 W C -0.363 176.123 176.519 -0.056 0.000 1.139 142 W CA -0.988 56.327 57.345 -0.051 0.000 1.139 142 W CB 0.865 30.312 29.460 -0.021 0.000 1.439 142 W HN -0.197 nan 8.180 nan 0.000 0.558 143 K N 1.213 121.743 120.400 0.216 0.000 2.276 143 K HA 0.148 4.487 4.320 0.032 0.000 0.259 143 K C -2.152 174.522 176.600 0.123 0.000 1.001 143 K CA -1.148 55.208 56.287 0.115 0.000 0.927 143 K CB -0.324 32.232 32.500 0.093 0.000 0.969 143 K HN -0.122 nan 8.250 nan 0.000 0.490 144 P HA -0.028 nan 4.420 nan 0.000 0.269 144 P C 0.194 177.551 177.300 0.095 0.000 1.209 144 P CA 0.456 63.619 63.100 0.105 0.000 0.776 144 P CB 0.504 32.278 31.700 0.124 0.000 0.876 145 G N 1.666 110.488 108.800 0.037 0.000 2.225 145 G HA2 -0.280 3.700 3.960 0.032 0.000 0.267 145 G HA3 -0.280 3.700 3.960 0.032 0.000 0.267 145 G C 0.660 175.512 174.900 -0.081 0.000 1.024 145 G CA 0.839 45.941 45.100 0.004 0.000 0.784 145 G HN 0.672 nan 8.290 nan 0.000 0.507 146 T N -4.661 109.807 114.554 -0.144 0.000 2.964 146 T HA 0.437 4.806 4.350 0.032 0.000 0.250 146 T C 0.682 175.210 174.700 -0.287 0.000 0.982 146 T CA 1.203 63.225 62.100 -0.129 0.000 0.959 146 T CB 0.963 69.817 68.868 -0.024 0.000 1.141 146 T HN 0.615 nan 8.240 nan 0.000 0.494 147 T N 1.875 116.178 114.554 -0.418 0.000 2.921 147 T HA 0.536 4.906 4.350 0.032 0.000 0.297 147 T C -1.095 173.309 174.700 -0.493 0.000 1.013 147 T CA -0.732 61.014 62.100 -0.589 0.000 0.990 147 T CB 2.704 70.856 68.868 -1.194 0.000 1.023 147 T HN 0.210 nan 8.240 nan 0.000 0.447 148 R N 2.684 122.947 120.500 -0.396 0.000 2.202 148 R HA 0.561 4.920 4.340 0.032 0.000 0.334 148 R C -1.322 174.866 176.300 -0.186 0.000 1.036 148 R CA -0.712 55.241 56.100 -0.245 0.000 0.878 148 R CB 0.247 30.457 30.300 -0.151 0.000 1.067 148 R HN 0.439 nan 8.270 nan 0.000 0.457 149 L N 6.604 127.769 121.223 -0.098 0.000 2.442 149 L HA 0.220 4.579 4.340 0.032 0.000 0.261 149 L C -1.351 175.470 176.870 -0.081 0.000 1.000 149 L CA -0.735 54.066 54.840 -0.066 0.000 0.882 149 L CB 0.900 42.944 42.059 -0.024 0.000 1.207 149 L HN 0.611 nan 8.230 nan 0.000 0.443 150 Y N 4.988 125.115 120.300 -0.289 0.000 2.852 150 Y HA 0.357 4.926 4.550 0.033 0.000 0.343 150 Y C -0.102 175.551 175.900 -0.411 0.000 1.280 150 Y CA 0.813 58.500 58.100 -0.688 0.000 1.604 150 Y CB 0.221 38.362 38.460 -0.531 0.000 1.216 150 Y HN 0.817 nan 8.280 nan 0.000 0.541 151 A N 5.883 128.046 122.820 -1.095 0.000 2.547 151 A HA 0.302 4.642 4.320 0.032 0.000 0.297 151 A C -0.216 177.222 177.584 -0.244 0.000 1.056 151 A CA -0.919 50.757 52.037 -0.603 0.000 0.688 151 A CB 1.058 19.962 19.000 -0.160 0.000 1.282 151 A HN 0.841 nan 8.150 nan 0.000 0.400 152 N N 1.131 119.718 118.700 -0.188 0.000 2.354 152 N HA -0.089 4.670 4.740 0.032 0.000 0.179 152 N C 1.707 177.305 175.510 0.146 0.000 1.021 152 N CA 1.265 54.351 53.050 0.061 0.000 0.887 152 N CB 0.124 38.665 38.487 0.091 0.000 0.974 152 N HN 0.773 nan 8.380 nan 0.000 0.437 153 A N 0.208 123.110 122.820 0.136 0.000 2.119 153 A HA -0.017 4.322 4.320 0.032 0.000 0.217 153 A C 2.432 180.209 177.584 0.323 0.000 1.153 153 A CA 1.115 53.318 52.037 0.277 0.000 0.692 153 A CB -0.230 18.954 19.000 0.307 0.000 0.799 153 A HN 0.233 nan 8.150 nan 0.000 0.458 154 S N -0.608 115.229 115.700 0.228 0.000 2.324 154 S HA 0.010 4.499 4.470 0.032 0.000 0.210 154 S C 1.878 176.595 174.600 0.196 0.000 1.027 154 S CA 0.880 59.203 58.200 0.205 0.000 0.945 154 S CB -0.374 62.962 63.200 0.227 0.000 0.908 154 S HN 0.510 nan 8.310 nan 0.000 0.496 155 I N 1.372 122.072 120.570 0.215 0.000 2.454 155 I HA -0.012 4.177 4.170 0.032 0.000 0.254 155 I C 2.070 178.315 176.117 0.213 0.000 1.156 155 I CA 1.336 62.751 61.300 0.192 0.000 1.433 155 I CB -0.559 37.555 38.000 0.190 0.000 1.082 155 I HN 0.455 nan 8.210 nan 0.000 0.432 156 G N 0.787 109.691 108.800 0.172 0.000 2.421 156 G HA2 -0.237 3.742 3.960 0.032 0.000 0.216 156 G HA3 -0.237 3.742 3.960 0.032 0.000 0.216 156 G C 1.652 176.569 174.900 0.028 0.000 1.171 156 G CA 0.726 45.873 45.100 0.079 0.000 0.775 156 G HN 0.402 nan 8.290 nan 0.000 0.543 157 L N -0.574 120.700 121.223 0.085 0.000 2.046 157 L HA 0.001 4.360 4.340 0.032 0.000 0.208 157 L C 2.613 179.465 176.870 -0.030 0.000 1.077 157 L CA 1.452 56.275 54.840 -0.028 0.000 0.747 157 L CB -0.345 41.642 42.059 -0.120 0.000 0.896 157 L HN 0.317 nan 8.230 nan 0.000 0.432 158 F N 0.612 120.533 119.950 -0.048 0.000 2.091 158 F HA -0.202 4.344 4.527 0.032 0.000 0.299 158 F C 2.099 177.874 175.800 -0.042 0.000 1.103 158 F CA 1.850 59.828 58.000 -0.038 0.000 1.228 158 F CB -0.743 38.243 39.000 -0.024 0.000 0.984 158 F HN 0.027 nan 8.300 nan 0.000 0.477 159 G N -0.446 108.248 108.800 -0.177 0.000 2.408 159 G HA2 -0.164 3.816 3.960 0.032 0.000 0.217 159 G HA3 -0.164 3.816 3.960 0.032 0.000 0.217 159 G C 1.766 176.551 174.900 -0.192 0.000 1.150 159 G CA 0.701 45.682 45.100 -0.198 0.000 0.776 159 G HN 0.647 nan 8.290 nan 0.000 0.542 160 A N -0.121 122.549 122.820 -0.250 0.000 2.014 160 A HA 0.233 4.572 4.320 0.032 0.000 0.218 160 A C 2.202 179.623 177.584 -0.271 0.000 1.163 160 A CA 0.997 52.887 52.037 -0.245 0.000 0.652 160 A CB -0.173 18.655 19.000 -0.287 0.000 0.808 160 A HN 0.297 nan 8.150 nan 0.000 0.449 161 L N -1.099 119.935 121.223 -0.316 0.000 2.307 161 L HA 0.202 4.561 4.340 0.032 0.000 0.211 161 L C 2.742 179.346 176.870 -0.444 0.000 1.099 161 L CA 1.266 55.916 54.840 -0.316 0.000 0.816 161 L CB -0.849 41.091 42.059 -0.199 0.000 0.952 161 L HN 0.353 nan 8.230 nan 0.000 0.455 162 A N -0.412 122.077 122.820 -0.551 0.000 1.972 162 A HA -0.128 4.211 4.320 0.032 0.000 0.219 162 A C 2.058 179.406 177.584 -0.392 0.000 1.169 162 A CA 1.822 53.494 52.037 -0.609 0.000 0.635 162 A CB -0.713 17.778 19.000 -0.850 0.000 0.810 162 A HN 0.299 nan 8.150 nan 0.000 0.446 163 V N -3.440 116.308 119.914 -0.277 0.000 3.649 163 V HA 0.127 4.267 4.120 0.032 0.000 0.275 163 V C 1.626 177.620 176.094 -0.167 0.000 1.281 163 V CA 1.142 63.331 62.300 -0.185 0.000 1.143 163 V CB -0.438 31.320 31.823 -0.107 0.000 0.892 163 V HN 0.406 nan 8.190 nan 0.000 0.441 164 K N 1.155 121.433 120.400 -0.203 0.000 2.026 164 K HA -0.040 4.299 4.320 0.032 0.000 0.208 164 K C -0.042 176.502 176.600 -0.094 0.000 1.048 164 K CA 2.074 58.276 56.287 -0.140 0.000 0.929 164 K CB -1.304 31.121 32.500 -0.126 0.000 0.713 164 K HN 0.455 nan 8.250 nan 0.000 0.439 165 P HA -0.184 nan 4.420 nan 0.000 0.218 165 P C 1.369 178.640 177.300 -0.048 0.000 1.148 165 P CA 1.537 64.609 63.100 -0.047 0.000 0.822 165 P CB 0.011 31.671 31.700 -0.068 0.000 0.784 166 S N -1.343 114.311 115.700 -0.077 0.000 2.423 166 S HA -0.004 4.485 4.470 0.032 0.000 0.231 166 S C 1.892 176.462 174.600 -0.051 0.000 1.014 166 S CA 1.231 59.393 58.200 -0.063 0.000 0.965 166 S CB -1.527 61.624 63.200 -0.080 0.000 0.785 166 S HN 0.296 nan 8.310 nan 0.000 0.495 167 G N 0.577 109.345 108.800 -0.053 0.000 2.184 167 G HA2 -0.286 3.693 3.960 0.032 0.000 0.264 167 G HA3 -0.286 3.693 3.960 0.032 0.000 0.264 167 G C 0.018 174.890 174.900 -0.046 0.000 0.975 167 G CA 0.610 45.684 45.100 -0.042 0.000 0.642 167 G HN 0.565 nan 8.290 nan 0.000 0.536 168 M N 0.948 120.514 119.600 -0.057 0.000 2.318 168 M HA 0.421 4.920 4.480 0.032 0.000 0.347 168 M C -2.211 174.055 176.300 -0.057 0.000 1.175 168 M CA -1.874 53.392 55.300 -0.058 0.000 1.075 168 M CB 1.416 33.974 32.600 -0.070 0.000 1.614 168 M HN -0.110 nan 8.290 nan 0.000 0.456 169 P HA 0.031 nan 4.420 nan 0.000 0.274 169 P C -0.193 177.103 177.300 -0.007 0.000 1.231 169 P CA -0.142 62.944 63.100 -0.023 0.000 0.790 169 P CB 0.433 32.120 31.700 -0.021 0.000 0.951 170 Y N 2.186 122.420 120.300 -0.111 0.000 2.062 170 Y HA -0.326 4.243 4.550 0.032 0.000 0.276 170 Y C 2.280 178.119 175.900 -0.102 0.000 1.189 170 Y CA 2.223 60.254 58.100 -0.115 0.000 1.130 170 Y CB -0.211 38.174 38.460 -0.125 0.000 0.959 170 Y HN 0.474 nan 8.280 nan 0.000 0.499 171 E N -0.461 119.762 120.200 0.038 0.000 2.077 171 E HA -0.317 4.052 4.350 0.032 0.000 0.193 171 E C 2.292 178.817 176.600 -0.125 0.000 0.989 171 E CA 1.523 57.891 56.400 -0.052 0.000 0.800 171 E CB -0.205 29.495 29.700 0.001 0.000 0.746 171 E HN 0.664 nan 8.360 nan 0.000 0.452 172 Q N -0.539 119.204 119.800 -0.095 0.000 2.123 172 Q HA -0.095 4.264 4.340 0.032 0.000 0.199 172 Q C 1.995 177.919 176.000 -0.127 0.000 0.966 172 Q CA 1.120 56.867 55.803 -0.094 0.000 0.845 172 Q CB -0.035 28.664 28.738 -0.065 0.000 0.907 172 Q HN 0.321 nan 8.270 nan 0.000 0.439 173 A N 0.328 123.050 122.820 -0.164 0.000 1.930 173 A HA -0.203 4.136 4.320 0.032 0.000 0.217 173 A C 1.953 179.406 177.584 -0.218 0.000 1.175 173 A CA 1.499 53.428 52.037 -0.179 0.000 0.627 173 A CB -0.466 18.417 19.000 -0.195 0.000 0.815 173 A HN 0.480 nan 8.150 nan 0.000 0.443 174 M N -0.161 119.243 119.600 -0.326 0.000 2.132 174 M HA -0.078 4.421 4.480 0.032 0.000 0.263 174 M C 1.921 178.100 176.300 -0.202 0.000 1.065 174 M CA 2.415 57.527 55.300 -0.314 0.000 1.122 174 M CB -0.665 31.647 32.600 -0.480 0.000 1.365 174 M HN 0.316 nan 8.290 nan 0.000 0.411 175 T N -0.536 113.906 114.554 -0.185 0.000 2.821 175 T HA -0.087 4.282 4.350 0.032 0.000 0.267 175 T C 1.747 176.379 174.700 -0.113 0.000 1.046 175 T CA 1.897 63.906 62.100 -0.151 0.000 1.139 175 T CB -0.485 68.307 68.868 -0.126 0.000 0.871 175 T HN 0.439 nan 8.240 nan 0.000 0.454 176 T N 1.511 116.005 114.554 -0.100 0.000 2.770 176 T HA 0.026 4.395 4.350 0.032 0.000 0.263 176 T C 2.093 176.758 174.700 -0.059 0.000 1.039 176 T CA 0.839 62.894 62.100 -0.074 0.000 1.142 176 T CB -0.023 68.803 68.868 -0.070 0.000 0.868 176 T HN 0.316 nan 8.240 nan 0.000 0.435 177 R N -0.208 120.255 120.500 -0.063 0.000 2.254 177 R HA 0.248 4.607 4.340 0.032 0.000 0.195 177 R C 1.616 177.914 176.300 -0.002 0.000 0.957 177 R CA 0.351 56.430 56.100 -0.036 0.000 1.024 177 R CB 0.356 30.630 30.300 -0.044 0.000 0.952 177 R HN 0.237 nan 8.270 nan 0.000 0.484 178 V N -0.121 119.791 119.914 -0.004 0.000 3.054 178 V HA 0.010 4.149 4.120 0.032 0.000 0.227 178 V C 1.902 178.036 176.094 0.067 0.000 1.252 178 V CA 0.218 62.562 62.300 0.074 0.000 1.279 178 V CB -0.147 31.749 31.823 0.122 0.000 1.118 178 V HN 0.062 nan 8.190 nan 0.000 0.504 179 L N 0.233 121.443 121.223 -0.023 0.000 1.976 179 L HA -0.170 4.189 4.340 0.032 0.000 0.209 179 L C 2.541 179.366 176.870 -0.075 0.000 1.071 179 L CA 1.966 56.760 54.840 -0.076 0.000 0.746 179 L CB -0.712 41.222 42.059 -0.208 0.000 0.890 179 L HN 0.301 nan 8.230 nan 0.000 0.432 180 K N -0.246 120.101 120.400 -0.087 0.000 2.057 180 K HA -0.146 4.193 4.320 0.032 0.000 0.207 180 K C -0.332 176.242 176.600 -0.043 0.000 1.049 180 K CA 1.363 57.603 56.287 -0.079 0.000 0.931 180 K CB -0.957 31.495 32.500 -0.079 0.000 0.714 180 K HN 0.283 nan 8.250 nan 0.000 0.440 181 P HA -0.066 nan 4.420 nan 0.000 0.229 181 P C 0.606 177.909 177.300 0.005 0.000 1.160 181 P CA 0.979 64.075 63.100 -0.007 0.000 0.777 181 P CB 0.228 31.929 31.700 0.002 0.000 0.814 182 L N -1.259 119.979 121.223 0.025 0.000 2.667 182 L HA 0.213 4.572 4.340 0.032 0.000 0.232 182 L C 0.325 177.209 176.870 0.024 0.000 1.138 182 L CA 0.011 54.879 54.840 0.047 0.000 0.921 182 L CB -0.390 41.747 42.059 0.131 0.000 1.180 182 L HN -0.126 nan 8.230 nan 0.000 0.487 183 K N 0.730 121.122 120.400 -0.013 0.000 3.071 183 K HA -0.175 4.164 4.320 0.032 0.000 0.265 183 K C -0.239 176.330 176.600 -0.052 0.000 1.060 183 K CA 0.431 56.697 56.287 -0.036 0.000 0.767 183 K CB -1.709 30.780 32.500 -0.018 0.000 1.241 183 K HN 0.312 nan 8.250 nan 0.000 0.486 184 L N 1.313 122.488 121.223 -0.079 0.000 2.449 184 L HA 0.131 4.491 4.340 0.032 0.000 0.255 184 L C 0.696 177.377 176.870 -0.314 0.000 1.167 184 L CA -0.337 54.425 54.840 -0.130 0.000 1.090 184 L CB 0.347 42.358 42.059 -0.080 0.000 1.385 184 L HN 0.119 nan 8.230 nan 0.000 0.411 185 D N -0.265 119.927 120.400 -0.346 0.000 2.328 185 D HA 0.026 4.685 4.640 0.032 0.000 0.221 185 D C 0.686 176.310 176.300 -1.126 0.000 1.072 185 D CA 0.518 54.147 54.000 -0.619 0.000 0.850 185 D CB 0.481 41.007 40.800 -0.455 0.000 0.922 185 D HN 0.493 nan 8.370 nan 0.000 0.516 186 H N 0.045 118.725 119.070 -0.650 0.000 2.676 186 H HA 0.249 4.824 4.556 0.032 0.000 0.238 186 H C -0.338 174.511 175.328 -0.798 0.000 1.276 186 H CA -0.028 55.625 56.048 -0.658 0.000 0.983 186 H CB 0.576 30.212 29.762 -0.211 0.000 2.000 186 H HN -0.162 nan 8.280 nan 0.000 0.584 187 T N 0.961 114.795 114.554 -1.200 0.000 2.881 187 T HA 0.395 4.764 4.350 0.032 0.000 0.290 187 T C -1.029 173.054 174.700 -1.028 0.000 1.000 187 T CA -0.581 61.026 62.100 -0.822 0.000 0.978 187 T CB 1.422 69.936 68.868 -0.590 0.000 0.997 187 T HN 0.253 nan 8.240 nan 0.000 0.443 188 W N 1.711 122.835 121.300 -0.293 0.000 3.217 188 W HA 0.570 5.249 4.660 0.033 0.000 0.323 188 W C 0.392 176.743 176.519 -0.279 0.000 1.216 188 W CA -0.915 56.269 57.345 -0.269 0.000 1.194 188 W CB 0.613 29.936 29.460 -0.228 0.000 1.397 188 W HN 0.439 nan 8.180 nan 0.000 0.537 189 I N 1.310 121.891 120.570 0.018 0.000 2.584 189 I HA -0.024 4.165 4.170 0.032 0.000 0.255 189 I C -0.140 175.949 176.117 -0.046 0.000 1.145 189 I CA 0.833 62.101 61.300 -0.054 0.000 1.462 189 I CB -0.138 37.835 38.000 -0.045 0.000 1.102 189 I HN 0.401 nan 8.210 nan 0.000 0.433 190 N N 0.096 118.785 118.700 -0.018 0.000 2.461 190 N HA 0.240 4.999 4.740 0.032 0.000 0.284 190 N C -0.819 174.571 175.510 -0.200 0.000 1.049 190 N CA -0.229 52.767 53.050 -0.090 0.000 0.889 190 N CB 2.924 41.364 38.487 -0.077 0.000 1.365 190 N HN -0.162 nan 8.380 nan 0.000 0.499 191 V N 4.081 123.805 119.914 -0.317 0.000 2.529 191 V HA 0.270 4.409 4.120 0.032 0.000 0.292 191 V C -1.912 173.860 176.094 -0.536 0.000 1.028 191 V CA -0.975 60.962 62.300 -0.605 0.000 1.074 191 V CB 0.245 31.765 31.823 -0.506 0.000 0.958 191 V HN 0.597 nan 8.190 nan 0.000 0.481 192 P HA 0.200 nan 4.420 nan 0.000 0.278 192 P C 0.368 177.473 177.300 -0.324 0.000 1.238 192 P CA -0.515 62.297 63.100 -0.480 0.000 0.794 192 P CB 1.010 32.377 31.700 -0.555 0.000 0.955 193 K N 2.387 122.670 120.400 -0.194 0.000 2.107 193 K HA -0.240 4.099 4.320 0.032 0.000 0.211 193 K C 1.679 178.216 176.600 -0.105 0.000 1.049 193 K CA 2.057 58.271 56.287 -0.123 0.000 0.927 193 K CB -0.624 31.826 32.500 -0.083 0.000 0.714 193 K HN 0.521 nan 8.250 nan 0.000 0.452 194 A N 0.426 123.179 122.820 -0.111 0.000 2.239 194 A HA -0.074 4.265 4.320 0.032 0.000 0.209 194 A C 1.101 178.669 177.584 -0.027 0.000 1.171 194 A CA 1.055 53.057 52.037 -0.059 0.000 0.768 194 A CB -0.079 18.899 19.000 -0.036 0.000 0.790 194 A HN 0.374 nan 8.150 nan 0.000 0.478 195 E N -0.844 119.305 120.200 -0.086 0.000 2.514 195 E HA 0.012 4.381 4.350 0.032 0.000 0.215 195 E C 1.031 177.646 176.600 0.025 0.000 0.946 195 E CA 0.128 56.543 56.400 0.026 0.000 1.038 195 E CB -0.081 29.541 29.700 -0.129 0.000 1.069 195 E HN 0.734 nan 8.360 nan 0.000 0.503 196 E N 1.876 122.051 120.200 -0.040 0.000 2.169 196 E HA -0.236 4.133 4.350 0.032 0.000 0.202 196 E C 2.004 178.620 176.600 0.028 0.000 1.016 196 E CA 1.606 58.013 56.400 0.013 0.000 0.817 196 E CB -0.167 29.520 29.700 -0.021 0.000 0.736 196 E HN 0.226 nan 8.360 nan 0.000 0.462 197 A N 0.490 123.294 122.820 -0.027 0.000 1.978 197 A HA -0.225 4.114 4.320 0.032 0.000 0.220 197 A C 1.552 179.078 177.584 -0.096 0.000 1.170 197 A CA 1.758 53.741 52.037 -0.089 0.000 0.636 197 A CB -0.669 18.224 19.000 -0.179 0.000 0.810 197 A HN 0.323 nan 8.150 nan 0.000 0.448 198 H N -3.554 115.536 119.070 0.032 0.000 2.535 198 H HA 0.073 4.648 4.556 0.032 0.000 0.273 198 H C 0.156 175.525 175.328 0.068 0.000 0.983 198 H CA 0.422 56.494 56.048 0.041 0.000 1.238 198 H CB 0.011 29.796 29.762 0.039 0.000 1.412 198 H HN 0.462 nan 8.280 nan 0.000 0.562 199 Y N 2.450 122.746 120.300 -0.006 0.000 2.605 199 Y HA 0.251 4.820 4.550 0.032 0.000 0.336 199 Y C 0.349 176.153 175.900 -0.159 0.000 1.111 199 Y CA -1.487 56.543 58.100 -0.118 0.000 1.422 199 Y CB -0.796 37.535 38.460 -0.215 0.000 1.193 199 Y HN 0.130 nan 8.280 nan 0.000 0.526 200 A N 6.152 129.108 122.820 0.227 0.000 2.332 200 A HA 0.299 4.638 4.320 0.032 0.000 0.258 200 A C -0.880 176.708 177.584 0.007 0.000 1.087 200 A CA -0.479 51.607 52.037 0.080 0.000 0.802 200 A CB 0.309 19.278 19.000 -0.053 0.000 1.042 200 A HN 0.894 nan 8.150 nan 0.000 0.489 201 W N 0.077 121.351 121.300 -0.044 0.000 2.496 201 W HA 0.510 5.189 4.660 0.032 0.000 0.327 201 W C 0.817 177.019 176.519 -0.528 0.000 1.086 201 W CA 0.065 57.252 57.345 -0.264 0.000 1.222 201 W CB 1.613 30.849 29.460 -0.373 0.000 1.304 201 W HN 0.967 nan 8.180 nan 0.000 0.547 202 G N 1.392 110.059 108.800 -0.220 0.000 2.572 202 G HA2 0.367 4.346 3.960 0.032 0.000 0.261 202 G HA3 0.367 4.346 3.960 0.032 0.000 0.261 202 G C -2.078 172.433 174.900 -0.648 0.000 1.197 202 G CA -0.265 44.461 45.100 -0.623 0.000 0.870 202 G HN 0.443 nan 8.290 nan 0.000 0.548 203 Y N -0.320 119.901 120.300 -0.132 0.000 2.373 203 Y HA 0.419 4.987 4.550 0.031 0.000 0.327 203 Y C 0.570 176.465 175.900 -0.009 0.000 1.036 203 Y CA -0.752 57.321 58.100 -0.046 0.000 1.265 203 Y CB 1.662 40.094 38.460 -0.048 0.000 1.108 203 Y HN 0.609 nan 8.280 nan 0.000 0.471 204 R N 1.396 121.963 120.500 0.112 0.000 2.553 204 R HA 0.271 4.630 4.340 0.032 0.000 0.263 204 R C -0.181 176.181 176.300 0.103 0.000 1.066 204 R CA -0.563 55.592 56.100 0.093 0.000 1.135 204 R CB 0.552 30.888 30.300 0.060 0.000 1.148 204 R HN 0.615 nan 8.270 nan 0.000 0.558 205 D N 2.162 122.607 120.400 0.075 0.000 5.960 205 D HA -0.163 4.496 4.640 0.032 0.000 0.238 205 D C 0.667 177.000 176.300 0.055 0.000 1.276 205 D CA 1.518 55.552 54.000 0.057 0.000 1.478 205 D CB -0.664 40.160 40.800 0.040 0.000 1.452 205 D HN 0.882 nan 8.370 nan 0.000 0.809 206 G N 0.846 109.694 108.800 0.079 0.000 2.205 206 G HA2 -0.349 3.630 3.960 0.032 0.000 0.261 206 G HA3 -0.349 3.630 3.960 0.032 0.000 0.261 206 G C 0.461 175.432 174.900 0.120 0.000 0.980 206 G CA 0.312 45.455 45.100 0.072 0.000 0.632 206 G HN 0.469 nan 8.290 nan 0.000 0.533 207 K N 1.015 121.480 120.400 0.109 0.000 2.185 207 K HA 0.698 5.037 4.320 0.032 0.000 0.269 207 K C 0.511 177.098 176.600 -0.022 0.000 0.987 207 K CA 0.098 56.410 56.287 0.041 0.000 0.865 207 K CB 1.286 33.785 32.500 -0.002 0.000 1.090 207 K HN 0.483 nan 8.250 nan 0.000 0.450 208 A N 3.102 125.804 122.820 -0.196 0.000 2.409 208 A HA 0.438 4.777 4.320 0.032 0.000 0.267 208 A C -0.285 177.093 177.584 -0.344 0.000 1.127 208 A CA -0.359 51.330 52.037 -0.580 0.000 0.795 208 A CB -0.132 18.382 19.000 -0.810 0.000 1.061 208 A HN 0.525 nan 8.150 nan 0.000 0.502 209 V N 0.413 120.275 119.914 -0.085 0.000 3.181 209 V HA 0.897 5.037 4.120 0.032 0.000 0.308 209 V C -0.461 175.869 176.094 0.392 0.000 1.214 209 V CA -1.186 61.229 62.300 0.192 0.000 1.053 209 V CB 1.878 33.759 31.823 0.097 0.000 1.069 209 V HN 0.967 nan 8.190 nan 0.000 0.441 210 R N -0.192 120.497 120.500 0.315 0.000 2.643 210 R HA 0.652 5.011 4.340 0.032 0.000 0.269 210 R C -1.210 175.192 176.300 0.171 0.000 1.037 210 R CA -0.663 55.551 56.100 0.191 0.000 0.894 210 R CB 2.475 32.702 30.300 -0.122 0.000 1.238 210 R HN 0.855 nan 8.270 nan 0.000 0.459 211 V N 2.088 122.110 119.914 0.181 0.000 2.928 211 V HA 0.080 4.219 4.120 0.032 0.000 0.307 211 V C -0.015 176.160 176.094 0.135 0.000 1.105 211 V CA 0.867 63.268 62.300 0.169 0.000 1.223 211 V CB 1.338 33.275 31.823 0.190 0.000 0.930 211 V HN 0.845 nan 8.190 nan 0.000 0.499 212 S N 6.381 122.164 115.700 0.139 0.000 2.621 212 S HA 0.752 5.241 4.470 0.032 0.000 0.302 212 S C -2.706 171.971 174.600 0.128 0.000 1.093 212 S CA -1.313 56.953 58.200 0.109 0.000 1.017 212 S CB 1.732 64.983 63.200 0.085 0.000 1.077 212 S HN 0.745 nan 8.310 nan 0.000 0.517 213 P HA 0.548 nan 4.420 nan 0.000 0.281 213 P C -0.405 176.936 177.300 0.068 0.000 1.252 213 P CA -0.085 63.048 63.100 0.055 0.000 0.778 213 P CB 1.032 32.744 31.700 0.020 0.000 0.895 214 G N 1.725 110.571 108.800 0.076 0.000 2.690 214 G HA2 0.520 4.499 3.960 0.032 0.000 0.291 214 G HA3 0.520 4.499 3.960 0.032 0.000 0.291 214 G C -1.134 173.781 174.900 0.026 0.000 1.403 214 G CA -0.653 44.499 45.100 0.086 0.000 0.864 214 G HN 0.296 nan 8.290 nan 0.000 0.480 215 M N 0.336 119.943 119.600 0.012 0.000 2.252 215 M HA 0.243 4.742 4.480 0.032 0.000 0.329 215 M C 0.885 177.166 176.300 -0.031 0.000 1.101 215 M CA -0.473 54.814 55.300 -0.021 0.000 1.117 215 M CB -0.419 32.172 32.600 -0.015 0.000 1.563 215 M HN 0.615 nan 8.290 nan 0.000 0.445 216 L N 2.324 123.493 121.223 -0.091 0.000 3.839 216 L HA -0.311 4.048 4.340 0.032 0.000 0.416 216 L C 1.267 177.990 176.870 -0.245 0.000 1.195 216 L CA 1.320 56.075 54.840 -0.141 0.000 0.946 216 L CB -2.201 39.848 42.059 -0.017 0.000 1.891 216 L HN 0.892 nan 8.230 nan 0.000 0.963 217 D N -0.376 119.795 120.400 -0.382 0.000 2.162 217 D HA -0.066 4.593 4.640 0.032 0.000 0.205 217 D C 1.927 177.804 176.300 -0.705 0.000 0.964 217 D CA 0.963 54.428 54.000 -0.892 0.000 0.847 217 D CB 0.074 40.355 40.800 -0.864 0.000 0.988 217 D HN 0.435 nan 8.370 nan 0.000 0.480 218 A N 0.724 123.283 122.820 -0.436 0.000 1.986 218 A HA -0.257 4.083 4.320 0.032 0.000 0.220 218 A C 2.240 179.643 177.584 -0.301 0.000 1.171 218 A CA 1.950 53.814 52.037 -0.289 0.000 0.640 218 A CB -0.619 18.280 19.000 -0.169 0.000 0.811 218 A HN 0.241 nan 8.150 nan 0.000 0.451 219 Q N -1.084 118.401 119.800 -0.524 0.000 2.137 219 Q HA 0.247 4.606 4.340 0.032 0.000 0.198 219 Q C 2.163 178.107 176.000 -0.094 0.000 0.960 219 Q CA 1.657 57.207 55.803 -0.421 0.000 0.847 219 Q CB -0.269 28.163 28.738 -0.510 0.000 0.915 219 Q HN 0.651 nan 8.270 nan 0.000 0.448 220 A N -0.786 121.969 122.820 -0.109 0.000 1.993 220 A HA 0.087 4.426 4.320 0.032 0.000 0.207 220 A C 0.878 178.594 177.584 0.221 0.000 1.224 220 A CA 0.628 52.738 52.037 0.122 0.000 0.749 220 A CB 0.045 19.215 19.000 0.283 0.000 0.884 220 A HN 0.514 nan 8.150 nan 0.000 0.467 221 Y N -4.175 116.146 120.300 0.035 0.000 2.858 221 Y HA 0.484 5.053 4.550 0.031 0.000 0.270 221 Y C 1.266 177.169 175.900 0.005 0.000 1.063 221 Y CA -0.161 57.962 58.100 0.039 0.000 1.263 221 Y CB -0.322 38.170 38.460 0.053 0.000 1.378 221 Y HN 0.018 nan 8.280 nan 0.000 0.578 222 G N 0.959 109.615 108.800 -0.240 0.000 2.880 222 G HA2 0.196 4.175 3.960 0.032 0.000 0.209 222 G HA3 0.196 4.175 3.960 0.032 0.000 0.209 222 G C 0.089 174.906 174.900 -0.138 0.000 1.157 222 G CA 0.225 45.209 45.100 -0.194 0.000 0.779 222 G HN 0.117 nan 8.290 nan 0.000 0.539 223 V N 0.779 120.605 119.914 -0.148 0.000 2.614 223 V HA 0.360 4.499 4.120 0.032 0.000 0.291 223 V C -0.230 175.743 176.094 -0.202 0.000 1.049 223 V CA -0.177 61.987 62.300 -0.227 0.000 1.038 223 V CB 1.167 32.750 31.823 -0.400 0.000 0.980 223 V HN 0.205 nan 8.190 nan 0.000 0.481 224 K N 2.808 123.083 120.400 -0.209 0.000 2.316 224 K HA 0.831 5.170 4.320 0.032 0.000 0.251 224 K C -0.215 176.309 176.600 -0.126 0.000 0.934 224 K CA -0.580 55.596 56.287 -0.184 0.000 0.802 224 K CB 2.288 34.608 32.500 -0.301 0.000 1.171 224 K HN 0.929 nan 8.250 nan 0.000 0.426 225 T N -1.855 112.669 114.554 -0.050 0.000 2.711 225 T HA 0.500 4.869 4.350 0.032 0.000 0.302 225 T C -1.073 173.699 174.700 0.121 0.000 1.373 225 T CA -1.152 60.940 62.100 -0.013 0.000 1.000 225 T CB 0.865 69.704 68.868 -0.048 0.000 1.483 225 T HN 0.592 nan 8.240 nan 0.000 0.499 226 N N -0.801 117.961 118.700 0.103 0.000 2.563 226 N HA 0.502 5.261 4.740 0.032 0.000 0.288 226 N C 0.954 176.539 175.510 0.124 0.000 1.246 226 N CA -0.742 52.405 53.050 0.161 0.000 0.946 226 N CB 0.597 39.114 38.487 0.050 0.000 1.213 226 N HN 0.404 nan 8.380 nan 0.000 0.578 227 V N -0.250 119.726 119.914 0.104 0.000 2.626 227 V HA -0.183 3.956 4.120 0.032 0.000 0.252 227 V C 1.924 178.092 176.094 0.122 0.000 1.067 227 V CA 1.819 64.182 62.300 0.106 0.000 1.081 227 V CB -0.809 31.087 31.823 0.122 0.000 0.686 227 V HN 0.635 nan 8.190 nan 0.000 0.468 228 Q N -0.660 119.096 119.800 -0.074 0.000 2.020 228 Q HA -0.192 4.167 4.340 0.032 0.000 0.198 228 Q C 2.055 178.125 176.000 0.116 0.000 0.974 228 Q CA 2.014 57.802 55.803 -0.024 0.000 0.829 228 Q CB -0.217 28.399 28.738 -0.202 0.000 0.894 228 Q HN 0.556 nan 8.270 nan 0.000 0.433 229 D N 0.232 120.672 120.400 0.067 0.000 2.104 229 D HA -0.170 4.489 4.640 0.032 0.000 0.194 229 D C 1.701 178.110 176.300 0.182 0.000 0.994 229 D CA 1.122 55.176 54.000 0.090 0.000 0.830 229 D CB -0.079 40.729 40.800 0.013 0.000 0.959 229 D HN 0.069 nan 8.370 nan 0.000 0.452 230 M N 0.512 120.228 119.600 0.193 0.000 2.159 230 M HA -0.050 4.449 4.480 0.032 0.000 0.263 230 M C 1.845 178.316 176.300 0.285 0.000 1.063 230 M CA 1.187 56.653 55.300 0.277 0.000 1.110 230 M CB -0.455 32.283 32.600 0.229 0.000 1.374 230 M HN 0.013 nan 8.290 nan 0.000 0.411 231 A N -0.392 122.571 122.820 0.239 0.000 1.969 231 A HA -0.148 4.191 4.320 0.032 0.000 0.218 231 A C 2.053 179.700 177.584 0.105 0.000 1.169 231 A CA 1.857 54.000 52.037 0.177 0.000 0.635 231 A CB -0.932 18.205 19.000 0.228 0.000 0.810 231 A HN 0.695 nan 8.150 nan 0.000 0.445 232 N N -1.388 117.397 118.700 0.142 0.000 2.354 232 N HA -0.117 4.642 4.740 0.032 0.000 0.179 232 N C 1.613 177.191 175.510 0.113 0.000 1.021 232 N CA 0.877 53.980 53.050 0.089 0.000 0.887 232 N CB -0.186 38.356 38.487 0.092 0.000 0.974 232 N HN 0.855 nan 8.380 nan 0.000 0.437 233 W N 2.078 123.372 121.300 -0.010 0.000 2.402 233 W HA -0.085 4.595 4.660 0.035 0.000 0.286 233 W C 1.114 177.558 176.519 -0.125 0.000 1.221 233 W CA 0.708 58.029 57.345 -0.039 0.000 1.257 233 W CB 0.165 29.644 29.460 0.031 0.000 1.120 233 W HN -0.190 nan 8.180 nan 0.000 0.551 234 V N 1.331 121.180 119.914 -0.109 0.000 2.591 234 V HA -0.289 3.850 4.120 0.032 0.000 0.249 234 V C 2.283 178.017 176.094 -0.600 0.000 1.053 234 V CA 1.799 63.837 62.300 -0.438 0.000 1.068 234 V CB -0.672 31.030 31.823 -0.202 0.000 0.689 234 V HN 0.128 nan 8.190 nan 0.000 0.462 235 M N -0.013 119.384 119.600 -0.339 0.000 2.175 235 M HA -0.097 4.402 4.480 0.032 0.000 0.264 235 M C 2.177 178.263 176.300 -0.357 0.000 1.063 235 M CA 1.911 57.024 55.300 -0.312 0.000 1.119 235 M CB -0.239 32.256 32.600 -0.174 0.000 1.377 235 M HN 0.368 nan 8.290 nan 0.000 0.415 236 A N 0.442 123.060 122.820 -0.336 0.000 1.855 236 A HA -0.172 4.167 4.320 0.032 0.000 0.215 236 A C 1.834 179.135 177.584 -0.473 0.000 1.191 236 A CA 1.885 53.726 52.037 -0.326 0.000 0.613 236 A CB -1.030 17.827 19.000 -0.239 0.000 0.829 236 A HN 0.602 nan 8.150 nan 0.000 0.442 237 N N -0.877 117.385 118.700 -0.730 0.000 2.289 237 N HA -0.131 4.629 4.740 0.032 0.000 0.184 237 N C 1.756 176.765 175.510 -0.834 0.000 1.016 237 N CA 1.571 54.131 53.050 -0.817 0.000 0.872 237 N CB -0.206 37.639 38.487 -1.070 0.000 0.973 237 N HN 0.649 nan 8.380 nan 0.000 0.433 238 M N 0.309 119.321 119.600 -0.980 0.000 2.288 238 M HA 0.036 4.536 4.480 0.032 0.000 0.266 238 M C 0.153 176.237 176.300 -0.361 0.000 1.072 238 M CA 0.954 55.815 55.300 -0.733 0.000 1.132 238 M CB 0.390 32.550 32.600 -0.733 0.000 1.386 238 M HN -0.050 nan 8.290 nan 0.000 0.432 239 A N 0.811 123.433 122.820 -0.329 0.000 3.216 239 A HA 0.422 4.761 4.320 0.032 0.000 0.321 239 A C -2.162 175.307 177.584 -0.192 0.000 1.042 239 A CA -1.019 50.888 52.037 -0.218 0.000 0.838 239 A CB -0.040 18.849 19.000 -0.185 0.000 1.136 239 A HN 0.282 nan 8.150 nan 0.000 0.483 240 P HA -0.169 nan 4.420 nan 0.000 0.225 240 P C 0.662 177.898 177.300 -0.107 0.000 1.148 240 P CA 1.202 64.213 63.100 -0.149 0.000 0.779 240 P CB 0.383 31.999 31.700 -0.139 0.000 0.780 241 E N 1.039 121.179 120.200 -0.100 0.000 2.118 241 E HA -0.190 4.179 4.350 0.032 0.000 0.195 241 E C 1.425 177.981 176.600 -0.073 0.000 0.992 241 E CA 1.365 57.718 56.400 -0.078 0.000 0.804 241 E CB -1.409 28.247 29.700 -0.074 0.000 0.741 241 E HN 0.497 nan 8.360 nan 0.000 0.458 242 N N 0.156 118.805 118.700 -0.085 0.000 2.515 242 N HA 0.022 4.781 4.740 0.032 0.000 0.191 242 N C -0.836 174.632 175.510 -0.069 0.000 1.182 242 N CA -0.164 52.840 53.050 -0.077 0.000 0.879 242 N CB 0.463 38.897 38.487 -0.087 0.000 0.984 242 N HN -0.071 nan 8.380 nan 0.000 0.453 243 V N 1.267 121.139 119.914 -0.070 0.000 2.348 243 V HA 0.264 4.403 4.120 0.032 0.000 0.270 243 V C 1.026 177.095 176.094 -0.041 0.000 1.037 243 V CA -0.391 61.875 62.300 -0.056 0.000 0.872 243 V CB 0.829 32.614 31.823 -0.063 0.000 1.002 243 V HN 0.195 nan 8.190 nan 0.000 0.464 244 A N 3.632 126.432 122.820 -0.033 0.000 1.858 244 A HA -0.124 4.215 4.320 0.032 0.000 0.216 244 A C 1.321 178.892 177.584 -0.022 0.000 1.190 244 A CA 1.042 53.063 52.037 -0.027 0.000 0.617 244 A CB -0.290 18.696 19.000 -0.024 0.000 0.827 244 A HN 0.797 nan 8.150 nan 0.000 0.443 245 D N 0.174 120.564 120.400 -0.017 0.000 2.451 245 D HA 0.239 4.898 4.640 0.032 0.000 0.254 245 D C 1.313 177.605 176.300 -0.012 0.000 1.204 245 D CA 0.484 54.477 54.000 -0.012 0.000 0.896 245 D CB 1.013 41.809 40.800 -0.007 0.000 1.136 245 D HN 0.244 nan 8.370 nan 0.000 0.499 246 A N 3.607 126.421 122.820 -0.011 0.000 1.877 246 A HA -0.205 4.134 4.320 0.032 0.000 0.216 246 A C 2.282 179.863 177.584 -0.004 0.000 1.186 246 A CA 1.995 54.026 52.037 -0.010 0.000 0.620 246 A CB -0.562 18.432 19.000 -0.009 0.000 0.822 246 A HN 0.692 nan 8.150 nan 0.000 0.443 247 S N -0.480 115.220 115.700 0.000 0.000 2.383 247 S HA -0.102 4.387 4.470 0.032 0.000 0.227 247 S C 1.827 176.436 174.600 0.015 0.000 1.026 247 S CA 1.351 59.555 58.200 0.008 0.000 0.981 247 S CB -0.578 62.626 63.200 0.006 0.000 0.818 247 S HN 0.389 nan 8.310 nan 0.000 0.472 248 L N 1.981 123.212 121.223 0.013 0.000 2.141 248 L HA 0.146 4.505 4.340 0.032 0.000 0.209 248 L C 2.461 179.336 176.870 0.008 0.000 1.094 248 L CA 1.737 56.591 54.840 0.023 0.000 0.763 248 L CB -0.779 41.295 42.059 0.026 0.000 0.908 248 L HN 0.352 nan 8.230 nan 0.000 0.437 249 K N -0.952 119.444 120.400 -0.008 0.000 2.057 249 K HA -0.225 4.114 4.320 0.032 0.000 0.207 249 K C 2.091 178.680 176.600 -0.017 0.000 1.049 249 K CA 1.840 58.111 56.287 -0.025 0.000 0.931 249 K CB -0.086 32.397 32.500 -0.029 0.000 0.714 249 K HN 0.485 nan 8.250 nan 0.000 0.440 250 Q N -0.828 118.972 119.800 0.000 0.000 2.172 250 Q HA -0.045 4.314 4.340 0.032 0.000 0.200 250 Q C 2.035 178.057 176.000 0.037 0.000 0.964 250 Q CA 1.159 56.970 55.803 0.013 0.000 0.855 250 Q CB 0.024 28.772 28.738 0.017 0.000 0.918 250 Q HN 0.523 nan 8.270 nan 0.000 0.444 251 G N 0.776 109.604 108.800 0.047 0.000 2.422 251 G HA2 -0.220 3.759 3.960 0.032 0.000 0.218 251 G HA3 -0.220 3.759 3.960 0.032 0.000 0.218 251 G C 1.371 176.326 174.900 0.091 0.000 1.146 251 G CA 0.451 45.600 45.100 0.082 0.000 0.769 251 G HN 0.226 nan 8.290 nan 0.000 0.547 252 I N 1.096 121.691 120.570 0.041 0.000 2.252 252 I HA -0.122 4.067 4.170 0.032 0.000 0.245 252 I C 3.255 179.378 176.117 0.011 0.000 1.102 252 I CA 0.884 62.186 61.300 0.004 0.000 1.385 252 I CB -0.115 37.829 38.000 -0.093 0.000 1.064 252 I HN 0.247 nan 8.210 nan 0.000 0.414 253 A N 0.784 123.604 122.820 -0.001 0.000 1.902 253 A HA -0.159 4.180 4.320 0.032 0.000 0.217 253 A C 2.264 179.873 177.584 0.041 0.000 1.181 253 A CA 1.331 53.365 52.037 -0.006 0.000 0.623 253 A CB -0.804 18.184 19.000 -0.019 0.000 0.818 253 A HN 0.381 nan 8.150 nan 0.000 0.443 254 L N -0.892 120.385 121.223 0.089 0.000 2.083 254 L HA -0.179 4.180 4.340 0.032 0.000 0.209 254 L C 3.007 180.035 176.870 0.262 0.000 1.083 254 L CA 0.988 55.929 54.840 0.167 0.000 0.752 254 L CB -0.449 41.717 42.059 0.179 0.000 0.899 254 L HN 0.442 nan 8.230 nan 0.000 0.433 255 A N -0.877 122.087 122.820 0.241 0.000 2.014 255 A HA -0.156 4.183 4.320 0.032 0.000 0.218 255 A C 2.062 179.866 177.584 0.365 0.000 1.163 255 A CA 1.024 53.260 52.037 0.331 0.000 0.652 255 A CB -0.211 19.021 19.000 0.387 0.000 0.808 255 A HN 0.480 nan 8.150 nan 0.000 0.449 256 Q N 0.188 120.109 119.800 0.202 0.000 2.360 256 Q HA 0.156 4.515 4.340 0.032 0.000 0.202 256 Q C -0.118 175.903 176.000 0.036 0.000 0.915 256 Q CA -0.140 55.714 55.803 0.085 0.000 0.943 256 Q CB 0.266 28.971 28.738 -0.054 0.000 1.064 256 Q HN 0.486 nan 8.270 nan 0.000 0.511 257 S N 1.039 116.764 115.700 0.042 0.000 2.580 257 S HA 0.274 4.764 4.470 0.032 0.000 0.274 257 S C 0.047 174.480 174.600 -0.278 0.000 1.329 257 S CA -0.373 57.718 58.200 -0.181 0.000 1.036 257 S CB 0.672 63.687 63.200 -0.308 0.000 0.919 257 S HN 0.174 nan 8.310 nan 0.000 0.515 258 R N 1.494 121.781 120.500 -0.356 0.000 2.196 258 R HA 0.266 4.625 4.340 0.032 0.000 0.340 258 R C -0.419 175.661 176.300 -0.366 0.000 1.043 258 R CA -0.013 55.966 56.100 -0.202 0.000 0.883 258 R CB 0.234 30.430 30.300 -0.172 0.000 1.078 258 R HN 0.671 nan 8.270 nan 0.000 0.462 259 Y N 0.473 120.775 120.300 0.002 0.000 2.507 259 Y HA 0.217 4.786 4.550 0.032 0.000 0.263 259 Y C -0.143 175.448 175.900 -0.515 0.000 1.093 259 Y CA -0.056 57.869 58.100 -0.291 0.000 1.285 259 Y CB 0.590 38.869 38.460 -0.302 0.000 1.115 259 Y HN 0.453 nan 8.280 nan 0.000 0.533 260 W N -0.272 121.185 121.300 0.261 0.000 3.372 260 W HA 0.505 5.184 4.660 0.031 0.000 0.315 260 W C -0.694 175.908 176.519 0.139 0.000 1.223 260 W CA -1.292 56.159 57.345 0.178 0.000 1.202 260 W CB 0.960 30.501 29.460 0.135 0.000 1.367 260 W HN -0.496 nan 8.180 nan 0.000 0.531 261 R N 2.415 123.073 120.500 0.263 0.000 2.294 261 R HA 0.701 5.060 4.340 0.032 0.000 0.319 261 R C -1.291 174.976 176.300 -0.055 0.000 0.984 261 R CA -0.565 55.462 56.100 -0.122 0.000 0.861 261 R CB 0.595 30.804 30.300 -0.151 0.000 1.104 261 R HN 0.592 nan 8.270 nan 0.000 0.451 262 I N 5.557 126.046 120.570 -0.134 0.000 2.537 262 I HA 0.300 4.489 4.170 0.032 0.000 0.276 262 I C 0.854 176.909 176.117 -0.103 0.000 1.063 262 I CA 0.002 61.262 61.300 -0.067 0.000 1.144 262 I CB 1.599 39.590 38.000 -0.015 0.000 1.252 262 I HN 1.015 nan 8.210 nan 0.000 0.480 263 G N 3.978 112.719 108.800 -0.098 0.000 2.602 263 G HA2 -0.342 3.638 3.960 0.032 0.000 0.310 263 G HA3 -0.342 3.638 3.960 0.032 0.000 0.310 263 G C 0.982 175.807 174.900 -0.126 0.000 1.183 263 G CA 0.614 45.663 45.100 -0.085 0.000 0.979 263 G HN 0.438 nan 8.290 nan 0.000 0.545 264 S N 1.164 116.811 115.700 -0.090 0.000 2.575 264 S HA 0.336 4.825 4.470 0.032 0.000 0.215 264 S C 0.964 175.515 174.600 -0.082 0.000 0.966 264 S CA 1.310 59.465 58.200 -0.075 0.000 0.911 264 S CB -0.273 62.907 63.200 -0.032 0.000 0.780 264 S HN 0.756 nan 8.310 nan 0.000 0.514 265 M N -0.617 118.912 119.600 -0.119 0.000 2.598 265 M HA 0.661 5.160 4.480 0.032 0.000 0.317 265 M C -1.610 174.578 176.300 -0.187 0.000 1.201 265 M CA -0.607 54.674 55.300 -0.033 0.000 0.971 265 M CB 1.067 33.723 32.600 0.093 0.000 1.657 265 M HN -0.100 nan 8.290 nan 0.000 0.470 266 Y N 0.594 120.991 120.300 0.160 0.000 2.376 266 Y HA 0.478 5.047 4.550 0.032 0.000 0.340 266 Y C -0.724 175.315 175.900 0.231 0.000 0.965 266 Y CA -0.455 57.749 58.100 0.175 0.000 1.078 266 Y CB 2.128 40.659 38.460 0.118 0.000 1.193 266 Y HN 0.702 nan 8.280 nan 0.000 0.452 267 Q N 2.215 122.277 119.800 0.436 0.000 2.331 267 Q HA 0.587 4.946 4.340 0.032 0.000 0.257 267 Q C -0.049 176.233 176.000 0.471 0.000 0.957 267 Q CA -0.259 55.803 55.803 0.430 0.000 0.923 267 Q CB 1.093 30.094 28.738 0.439 0.000 1.212 267 Q HN 0.882 nan 8.270 nan 0.000 0.443 268 G N 2.203 111.252 108.800 0.414 0.000 2.641 268 G HA2 0.413 4.392 3.960 0.032 0.000 0.239 268 G HA3 0.413 4.392 3.960 0.032 0.000 0.239 268 G C -1.118 173.960 174.900 0.296 0.000 1.402 268 G CA -0.675 44.698 45.100 0.455 0.000 1.046 268 G HN 0.508 nan 8.290 nan 0.000 0.565 269 L N 1.239 122.615 121.223 0.255 0.000 2.302 269 L HA 0.471 4.830 4.340 0.032 0.000 0.285 269 L C 1.373 178.298 176.870 0.091 0.000 1.090 269 L CA 1.164 56.023 54.840 0.031 0.000 0.866 269 L CB 0.026 42.105 42.059 0.034 0.000 1.244 269 L HN 1.117 nan 8.230 nan 0.000 0.435 270 G N 2.088 110.905 108.800 0.028 0.000 3.329 270 G HA2 -0.318 3.661 3.960 0.032 0.000 0.220 270 G HA3 -0.318 3.661 3.960 0.032 0.000 0.220 270 G C 0.263 175.180 174.900 0.027 0.000 1.358 270 G CA 0.057 45.156 45.100 -0.002 0.000 0.856 270 G HN 0.438 nan 8.290 nan 0.000 0.551 271 W N 2.126 123.532 121.300 0.175 0.000 2.126 271 W HA 0.623 5.305 4.660 0.037 0.000 0.346 271 W C 0.803 177.441 176.519 0.198 0.000 1.279 271 W CA -0.249 57.194 57.345 0.165 0.000 1.259 271 W CB 0.474 30.002 29.460 0.114 0.000 1.133 271 W HN 0.260 nan 8.180 nan 0.000 0.592 272 E N 1.237 121.755 120.200 0.530 0.000 2.288 272 E HA 0.571 4.940 4.350 0.032 0.000 0.268 272 E C -1.003 175.843 176.600 0.410 0.000 0.885 272 E CA -1.173 55.502 56.400 0.458 0.000 0.767 272 E CB 2.049 32.032 29.700 0.471 0.000 1.220 272 E HN 0.183 nan 8.360 nan 0.000 0.427 273 M N 1.759 121.553 119.600 0.324 0.000 2.550 273 M HA 0.469 4.968 4.480 0.032 0.000 0.292 273 M C -1.552 174.915 176.300 0.278 0.000 1.221 273 M CA -0.357 55.070 55.300 0.211 0.000 0.873 273 M CB 1.862 34.538 32.600 0.126 0.000 1.727 273 M HN 0.303 nan 8.290 nan 0.000 0.459 274 L N 1.342 122.704 121.223 0.231 0.000 2.388 274 L HA 0.598 4.957 4.340 0.032 0.000 0.264 274 L C -0.450 176.565 176.870 0.242 0.000 0.998 274 L CA -0.748 54.243 54.840 0.252 0.000 0.817 274 L CB 1.842 43.988 42.059 0.146 0.000 1.338 274 L HN 0.575 nan 8.230 nan 0.000 0.414 275 N N 0.925 119.756 118.700 0.218 0.000 2.441 275 N HA 0.025 4.784 4.740 0.032 0.000 0.251 275 N C -1.142 174.475 175.510 0.179 0.000 1.242 275 N CA -0.046 53.099 53.050 0.157 0.000 0.898 275 N CB 0.865 39.417 38.487 0.108 0.000 1.100 275 N HN 0.533 nan 8.380 nan 0.000 0.443 276 W N 3.196 124.531 121.300 0.059 0.000 2.573 276 W HA 0.394 5.062 4.660 0.014 0.000 0.326 276 W C -2.427 174.118 176.519 0.044 0.000 1.049 276 W CA -1.761 55.629 57.345 0.074 0.000 1.220 276 W CB 1.053 30.564 29.460 0.086 0.000 1.373 276 W HN 0.405 nan 8.180 nan 0.000 0.507 277 P HA 0.223 nan 4.420 nan 0.000 0.275 277 P C -1.145 175.679 177.300 -0.793 0.000 1.228 277 P CA -0.212 61.987 63.100 -1.503 0.000 0.786 277 P CB 1.746 32.912 31.700 -0.889 0.000 0.927 278 V N 1.857 121.252 119.914 -0.865 0.000 2.841 278 V HA 0.282 4.421 4.120 0.032 0.000 0.310 278 V C -0.538 175.373 176.094 -0.306 0.000 1.090 278 V CA -0.824 61.249 62.300 -0.377 0.000 0.930 278 V CB 2.193 33.907 31.823 -0.182 0.000 1.014 278 V HN 0.414 nan 8.190 nan 0.000 0.425 279 E N 2.830 122.886 120.200 -0.239 0.000 2.374 279 E HA 0.387 4.756 4.350 0.032 0.000 0.260 279 E C 1.007 177.335 176.600 -0.453 0.000 1.101 279 E CA 0.467 56.720 56.400 -0.245 0.000 0.907 279 E CB 1.743 31.320 29.700 -0.204 0.000 1.014 279 E HN 0.830 nan 8.360 nan 0.000 0.427 280 A N 3.198 125.502 122.820 -0.859 0.000 1.933 280 A HA -0.250 4.089 4.320 0.032 0.000 0.218 280 A C 1.599 178.866 177.584 -0.528 0.000 1.175 280 A CA 1.921 53.248 52.037 -1.184 0.000 0.628 280 A CB -0.665 17.548 19.000 -1.312 0.000 0.814 280 A HN 0.694 nan 8.150 nan 0.000 0.444 281 N N 0.407 118.895 118.700 -0.353 0.000 2.149 281 N HA -0.181 4.579 4.740 0.032 0.000 0.188 281 N C 1.528 176.933 175.510 -0.175 0.000 1.019 281 N CA 2.598 55.519 53.050 -0.215 0.000 0.857 281 N CB -1.551 36.842 38.487 -0.157 0.000 0.997 281 N HN 0.457 nan 8.380 nan 0.000 0.426 282 T N -1.595 112.848 114.554 -0.185 0.000 2.985 282 T HA 0.090 4.459 4.350 0.032 0.000 0.266 282 T C 1.725 176.356 174.700 -0.116 0.000 1.076 282 T CA 0.805 62.826 62.100 -0.130 0.000 1.135 282 T CB -0.431 68.370 68.868 -0.112 0.000 0.890 282 T HN 0.031 nan 8.240 nan 0.000 0.480 283 V N 1.150 120.957 119.914 -0.178 0.000 2.446 283 V HA -0.004 4.135 4.120 0.032 0.000 0.244 283 V C 2.877 178.944 176.094 -0.044 0.000 1.039 283 V CA 1.150 63.381 62.300 -0.115 0.000 1.045 283 V CB -0.320 31.331 31.823 -0.287 0.000 0.681 283 V HN 0.391 nan 8.190 nan 0.000 0.459 284 V N 0.191 120.036 119.914 -0.115 0.000 2.343 284 V HA -0.249 3.890 4.120 0.032 0.000 0.247 284 V C 2.357 178.416 176.094 -0.057 0.000 1.051 284 V CA 2.070 64.320 62.300 -0.084 0.000 1.036 284 V CB -0.650 31.104 31.823 -0.116 0.000 0.654 284 V HN 0.561 nan 8.190 nan 0.000 0.451 285 E N 0.480 120.642 120.200 -0.064 0.000 2.216 285 E HA -0.027 4.342 4.350 0.032 0.000 0.192 285 E C 2.233 178.818 176.600 -0.025 0.000 0.988 285 E CA 0.898 57.271 56.400 -0.045 0.000 0.834 285 E CB -0.418 29.251 29.700 -0.052 0.000 0.772 285 E HN 0.605 nan 8.360 nan 0.000 0.479 286 G N 0.129 108.923 108.800 -0.010 0.000 2.598 286 G HA2 -0.209 3.770 3.960 0.032 0.000 0.215 286 G HA3 -0.209 3.770 3.960 0.032 0.000 0.215 286 G C 1.498 176.411 174.900 0.021 0.000 1.131 286 G CA 0.702 45.811 45.100 0.016 0.000 0.785 286 G HN 0.268 nan 8.290 nan 0.000 0.539 287 S N -0.263 115.445 115.700 0.012 0.000 2.489 287 S HA 0.004 4.493 4.470 0.032 0.000 0.228 287 S C 0.811 175.390 174.600 -0.034 0.000 0.995 287 S CA 0.042 58.236 58.200 -0.010 0.000 0.934 287 S CB -0.231 62.956 63.200 -0.022 0.000 0.771 287 S HN 0.417 nan 8.310 nan 0.000 0.522 288 D N 0.491 120.874 120.400 -0.027 0.000 2.414 288 D HA 0.228 4.887 4.640 0.032 0.000 0.242 288 D C 1.158 177.445 176.300 -0.021 0.000 1.129 288 D CA 0.266 54.252 54.000 -0.025 0.000 0.885 288 D CB 1.100 41.889 40.800 -0.020 0.000 1.198 288 D HN 0.050 nan 8.370 nan 0.000 0.437 289 S N 2.254 117.944 115.700 -0.017 0.000 2.372 289 S HA -0.196 4.293 4.470 0.032 0.000 0.227 289 S C 1.726 176.328 174.600 0.003 0.000 1.044 289 S CA 0.938 59.134 58.200 -0.006 0.000 1.050 289 S CB -0.121 63.081 63.200 0.003 0.000 0.901 289 S HN 0.500 nan 8.310 nan 0.000 0.447 290 K N 0.609 121.011 120.400 0.003 0.000 2.160 290 K HA -0.062 4.277 4.320 0.032 0.000 0.206 290 K C 2.025 178.628 176.600 0.005 0.000 1.047 290 K CA 0.985 57.276 56.287 0.007 0.000 0.930 290 K CB -0.575 31.928 32.500 0.004 0.000 0.720 290 K HN 0.321 nan 8.250 nan 0.000 0.450 291 V N 0.622 120.534 119.914 -0.003 0.000 2.374 291 V HA -0.056 4.083 4.120 0.032 0.000 0.241 291 V C 2.330 178.420 176.094 -0.008 0.000 1.034 291 V CA 1.515 63.811 62.300 -0.006 0.000 1.037 291 V CB -0.558 31.260 31.823 -0.008 0.000 0.682 291 V HN 0.216 nan 8.190 nan 0.000 0.463 292 A N -0.467 122.341 122.820 -0.019 0.000 2.070 292 A HA -0.060 4.279 4.320 0.032 0.000 0.220 292 A C 2.089 179.673 177.584 0.001 0.000 1.159 292 A CA 1.517 53.527 52.037 -0.045 0.000 0.656 292 A CB -0.390 18.552 19.000 -0.098 0.000 0.800 292 A HN 0.526 nan 8.150 nan 0.000 0.453 293 L N -1.442 119.802 121.223 0.035 0.000 2.556 293 L HA 0.254 4.613 4.340 0.032 0.000 0.226 293 L C 1.343 178.248 176.870 0.059 0.000 1.089 293 L CA 0.007 54.896 54.840 0.083 0.000 0.864 293 L CB -0.148 41.956 42.059 0.075 0.000 1.067 293 L HN 0.341 nan 8.230 nan 0.000 0.477 294 A N 1.702 124.541 122.820 0.033 0.000 2.407 294 A HA 0.371 4.710 4.320 0.032 0.000 0.248 294 A C -2.239 175.340 177.584 -0.009 0.000 1.082 294 A CA -0.834 51.217 52.037 0.024 0.000 0.785 294 A CB -0.416 18.593 19.000 0.014 0.000 1.020 294 A HN -0.070 nan 8.150 nan 0.000 0.489 295 P HA 0.415 nan 4.420 nan 0.000 0.292 295 P C -1.093 176.091 177.300 -0.194 0.000 1.326 295 P CA 0.106 63.105 63.100 -0.167 0.000 0.787 295 P CB 0.701 32.281 31.700 -0.202 0.000 0.903 296 L N 6.119 127.222 121.223 -0.201 0.000 2.334 296 L HA 0.526 4.885 4.340 0.032 0.000 0.273 296 L C -2.045 174.696 176.870 -0.215 0.000 1.013 296 L CA -2.794 51.952 54.840 -0.158 0.000 0.816 296 L CB 2.323 44.328 42.059 -0.091 0.000 1.278 296 L HN 0.175 nan 8.230 nan 0.000 0.431 297 P HA 0.098 nan 4.420 nan 0.000 0.271 297 P C -0.672 176.558 177.300 -0.115 0.000 1.216 297 P CA -0.119 62.886 63.100 -0.159 0.000 0.776 297 P CB 1.377 33.025 31.700 -0.087 0.000 0.881 298 V N -0.031 119.809 119.914 -0.122 0.000 3.193 298 V HA 0.944 5.083 4.120 0.032 0.000 0.320 298 V C -0.409 175.751 176.094 0.110 0.000 1.112 298 V CA -1.345 60.935 62.300 -0.034 0.000 1.026 298 V CB 1.305 33.014 31.823 -0.191 0.000 1.128 298 V HN 0.683 nan 8.190 nan 0.000 0.452 299 A N 0.944 123.911 122.820 0.244 0.000 2.357 299 A HA 0.595 4.934 4.320 0.032 0.000 0.295 299 A C -0.339 177.476 177.584 0.386 0.000 1.121 299 A CA -0.534 51.653 52.037 0.251 0.000 0.742 299 A CB 0.863 19.945 19.000 0.136 0.000 1.181 299 A HN 0.989 nan 8.150 nan 0.000 0.454 300 E N 1.952 122.360 120.200 0.347 0.000 2.344 300 E HA 0.320 4.689 4.350 0.032 0.000 0.270 300 E C -0.791 175.781 176.600 -0.045 0.000 1.021 300 E CA -0.128 56.302 56.400 0.050 0.000 0.887 300 E CB 0.686 30.357 29.700 -0.049 0.000 0.997 300 E HN 0.391 nan 8.360 nan 0.000 0.429 301 V N 6.578 126.395 119.914 -0.162 0.000 2.221 301 V HA 0.130 4.269 4.120 0.032 0.000 0.258 301 V C 0.087 176.076 176.094 -0.174 0.000 1.179 301 V CA -0.362 61.877 62.300 -0.101 0.000 1.022 301 V CB -0.298 31.480 31.823 -0.074 0.000 1.228 301 V HN 0.575 nan 8.190 nan 0.000 0.487 302 N N 4.347 122.974 118.700 -0.123 0.000 2.443 302 N HA 0.483 5.242 4.740 0.032 0.000 0.269 302 N C -2.475 172.997 175.510 -0.063 0.000 0.985 302 N CA -1.198 51.788 53.050 -0.106 0.000 0.921 302 N CB 2.223 40.656 38.487 -0.091 0.000 1.195 302 N HN 0.320 nan 8.380 nan 0.000 0.492 303 P HA 0.302 nan 4.420 nan 0.000 0.272 303 P C -2.640 174.580 177.300 -0.132 0.000 1.230 303 P CA -0.808 62.243 63.100 -0.080 0.000 0.788 303 P CB 0.209 31.874 31.700 -0.058 0.000 0.949 304 P HA 0.074 nan 4.420 nan 0.000 0.264 304 P C -0.801 176.326 177.300 -0.288 0.000 1.193 304 P CA 0.369 63.267 63.100 -0.337 0.000 0.763 304 P CB 0.262 31.704 31.700 -0.430 0.000 0.810 305 A N 6.519 129.158 122.820 -0.302 0.000 2.366 305 A HA 0.442 4.781 4.320 0.032 0.000 0.272 305 A C -2.014 175.426 177.584 -0.241 0.000 1.135 305 A CA -1.387 50.511 52.037 -0.230 0.000 0.804 305 A CB -0.500 18.365 19.000 -0.224 0.000 1.064 305 A HN 0.380 nan 8.150 nan 0.000 0.499 306 P HA 0.235 nan 4.420 nan 0.000 0.274 306 P C -2.684 174.535 177.300 -0.134 0.000 1.237 306 P CA -1.453 61.564 63.100 -0.138 0.000 0.793 306 P CB -0.542 31.099 31.700 -0.098 0.000 0.977 307 P HA -0.116 nan 4.420 nan 0.000 0.259 307 P C -0.211 177.026 177.300 -0.105 0.000 1.155 307 P CA 0.602 63.640 63.100 -0.103 0.000 0.759 307 P CB -0.087 31.562 31.700 -0.085 0.000 0.753 308 V N 3.566 123.411 119.914 -0.115 0.000 2.328 308 V HA 0.248 4.388 4.120 0.032 0.000 0.278 308 V C 1.077 177.126 176.094 -0.076 0.000 1.021 308 V CA -0.597 61.644 62.300 -0.099 0.000 0.838 308 V CB 1.275 33.025 31.823 -0.122 0.000 0.999 308 V HN 0.227 nan 8.190 nan 0.000 0.447 309 K N 5.520 125.884 120.400 -0.060 0.000 2.034 309 K HA -0.066 4.273 4.320 0.032 0.000 0.214 309 K C 1.493 178.073 176.600 -0.032 0.000 1.051 309 K CA 2.088 58.343 56.287 -0.053 0.000 0.931 309 K CB -1.091 31.382 32.500 -0.046 0.000 0.715 309 K HN 1.069 nan 8.250 nan 0.000 0.446 310 A N 1.574 124.405 122.820 0.017 0.000 3.052 310 A HA 0.259 4.598 4.320 0.032 0.000 0.266 310 A C -0.424 177.252 177.584 0.154 0.000 1.855 310 A CA 0.060 52.167 52.037 0.117 0.000 1.473 310 A CB -0.482 18.615 19.000 0.161 0.000 1.038 310 A HN 0.095 nan 8.150 nan 0.000 0.619 311 S N 0.789 116.538 115.700 0.082 0.000 2.548 311 S HA 0.510 4.999 4.470 0.032 0.000 0.286 311 S C -0.945 173.693 174.600 0.064 0.000 1.098 311 S CA -0.537 57.711 58.200 0.080 0.000 0.930 311 S CB 1.124 64.288 63.200 -0.060 0.000 1.070 311 S HN 0.701 nan 8.310 nan 0.000 0.480 312 W N 5.262 126.556 121.300 -0.011 0.000 2.317 312 W HA 0.545 5.218 4.660 0.022 0.000 0.327 312 W C -1.155 175.179 176.519 -0.308 0.000 1.036 312 W CA -0.669 56.619 57.345 -0.094 0.000 1.419 312 W CB 0.522 30.059 29.460 0.128 0.000 1.253 312 W HN 0.442 nan 8.180 nan 0.000 0.392 313 V N 8.474 127.909 119.914 -0.799 0.000 2.394 313 V HA 0.547 4.686 4.120 0.032 0.000 0.282 313 V C -0.570 175.045 176.094 -0.798 0.000 1.031 313 V CA -0.084 61.719 62.300 -0.828 0.000 0.881 313 V CB 1.082 32.242 31.823 -1.105 0.000 0.982 313 V HN 0.720 nan 8.190 nan 0.000 0.451 314 H N 3.650 122.597 119.070 -0.205 0.000 2.966 314 H HA 0.875 5.451 4.556 0.034 0.000 0.330 314 H C -1.371 174.141 175.328 0.306 0.000 1.292 314 H CA -1.393 54.651 56.048 -0.008 0.000 1.127 314 H CB 2.290 32.116 29.762 0.106 0.000 1.863 314 H HN 0.602 nan 8.280 nan 0.000 0.543 315 K N 0.711 121.200 120.400 0.149 0.000 2.580 315 K HA 0.260 4.599 4.320 0.032 0.000 0.258 315 K C -1.733 174.898 176.600 0.052 0.000 0.936 315 K CA -0.288 56.027 56.287 0.046 0.000 0.852 315 K CB 2.695 35.193 32.500 -0.005 0.000 1.329 315 K HN 0.774 nan 8.250 nan 0.000 0.430 316 T N 1.299 115.919 114.554 0.111 0.000 2.925 316 T HA 0.878 5.247 4.350 0.032 0.000 0.285 316 T C -0.695 174.071 174.700 0.109 0.000 1.021 316 T CA -0.140 62.097 62.100 0.227 0.000 1.042 316 T CB 1.068 70.045 68.868 0.181 0.000 1.037 316 T HN 0.684 nan 8.240 nan 0.000 0.481 317 G N 1.520 110.399 108.800 0.132 0.000 2.746 317 G HA2 0.600 4.579 3.960 0.032 0.000 0.297 317 G HA3 0.600 4.579 3.960 0.032 0.000 0.297 317 G C -1.491 173.493 174.900 0.140 0.000 1.426 317 G CA -0.513 44.661 45.100 0.123 0.000 0.989 317 G HN 0.803 nan 8.290 nan 0.000 0.520 318 S N -0.806 114.978 115.700 0.139 0.000 2.607 318 S HA 0.907 5.396 4.470 0.032 0.000 0.273 318 S C -0.186 174.515 174.600 0.168 0.000 1.148 318 S CA -0.472 57.826 58.200 0.164 0.000 0.833 318 S CB 2.163 65.433 63.200 0.116 0.000 1.130 318 S HN 1.360 nan 8.310 nan 0.000 0.470 319 T N -2.286 112.397 114.554 0.216 0.000 2.804 319 T HA 0.653 5.022 4.350 0.032 0.000 0.290 319 T C 1.289 176.110 174.700 0.202 0.000 1.099 319 T CA -0.226 61.993 62.100 0.200 0.000 1.011 319 T CB 0.836 69.864 68.868 0.267 0.000 1.291 319 T HN 0.636 nan 8.240 nan 0.000 0.523 320 G N -0.237 108.663 108.800 0.167 0.000 2.469 320 G HA2 0.096 4.075 3.960 0.032 0.000 0.220 320 G HA3 0.096 4.075 3.960 0.032 0.000 0.220 320 G C 1.177 176.175 174.900 0.165 0.000 1.136 320 G CA 0.823 46.006 45.100 0.139 0.000 0.759 320 G HN 1.208 nan 8.290 nan 0.000 0.562 321 G N -1.490 107.456 108.800 0.244 0.000 3.062 321 G HA2 0.455 4.434 3.960 0.032 0.000 0.228 321 G HA3 0.455 4.434 3.960 0.032 0.000 0.228 321 G C -0.172 174.769 174.900 0.068 0.000 1.094 321 G CA -0.439 44.742 45.100 0.137 0.000 0.782 321 G HN 0.207 nan 8.290 nan 0.000 0.541 322 F N -0.192 119.886 119.950 0.213 0.000 2.579 322 F HA 0.741 5.287 4.527 0.031 0.000 0.324 322 F C 0.434 176.380 175.800 0.244 0.000 1.058 322 F CA -1.177 56.990 58.000 0.278 0.000 0.944 322 F CB 2.378 41.567 39.000 0.315 0.000 1.245 322 F HN 0.001 nan 8.300 nan 0.000 0.477 323 G N 0.500 109.595 108.800 0.493 0.000 2.739 323 G HA2 0.571 4.550 3.960 0.032 0.000 0.291 323 G HA3 0.571 4.550 3.960 0.032 0.000 0.291 323 G C -1.676 173.416 174.900 0.320 0.000 1.478 323 G CA -0.572 44.711 45.100 0.305 0.000 1.062 323 G HN 0.564 nan 8.290 nan 0.000 0.532 324 S N 0.129 115.973 115.700 0.240 0.000 2.569 324 S HA 0.785 5.274 4.470 0.032 0.000 0.280 324 S C -1.800 172.971 174.600 0.284 0.000 1.111 324 S CA -0.594 57.754 58.200 0.247 0.000 0.887 324 S CB 2.044 65.376 63.200 0.220 0.000 1.095 324 S HN 0.691 nan 8.310 nan 0.000 0.476 325 Y N 1.272 121.657 120.300 0.143 0.000 2.519 325 Y HA 0.603 5.171 4.550 0.030 0.000 0.336 325 Y C -1.528 174.497 175.900 0.209 0.000 1.089 325 Y CA -0.848 57.347 58.100 0.158 0.000 1.025 325 Y CB 1.276 39.827 38.460 0.151 0.000 1.318 325 Y HN 0.609 nan 8.280 nan 0.000 0.452 326 V N 1.594 121.252 119.914 -0.426 0.000 2.808 326 V HA 1.061 5.200 4.120 0.032 0.000 0.308 326 V C -1.222 174.605 176.094 -0.445 0.000 1.099 326 V CA -0.435 61.742 62.300 -0.206 0.000 0.920 326 V CB 1.116 33.048 31.823 0.181 0.000 1.014 326 V HN 1.371 nan 8.190 nan 0.000 0.425 327 A N 4.331 126.971 122.820 -0.300 0.000 2.520 327 A HA 1.040 5.379 4.320 0.032 0.000 0.298 327 A C -1.167 176.173 177.584 -0.407 0.000 1.051 327 A CA -0.548 51.185 52.037 -0.507 0.000 0.690 327 A CB 1.828 20.429 19.000 -0.665 0.000 1.281 327 A HN 2.183 nan 8.150 nan 0.000 0.402 328 F N -0.572 118.942 119.950 -0.728 0.000 2.631 328 F HA 0.830 5.373 4.527 0.027 0.000 0.308 328 F C -1.322 174.109 175.800 -0.615 0.000 1.097 328 F CA -1.241 56.397 58.000 -0.603 0.000 0.952 328 F CB 1.348 40.066 39.000 -0.471 0.000 1.307 328 F HN 0.296 nan 8.300 nan 0.000 0.450 329 I N 3.009 123.387 120.570 -0.321 0.000 2.464 329 I HA 0.317 4.506 4.170 0.032 0.000 0.277 329 I C -2.115 173.886 176.117 -0.193 0.000 1.040 329 I CA -1.866 59.215 61.300 -0.365 0.000 1.153 329 I CB 1.634 39.277 38.000 -0.595 0.000 1.274 329 I HN 0.394 nan 8.210 nan 0.000 0.469 330 P HA -0.258 nan 4.420 nan 0.000 0.216 330 P C 1.520 178.758 177.300 -0.104 0.000 1.157 330 P CA 1.337 64.394 63.100 -0.070 0.000 0.880 330 P CB 0.252 31.921 31.700 -0.052 0.000 0.791 331 E N 0.389 120.526 120.200 -0.106 0.000 2.130 331 E HA -0.245 4.124 4.350 0.032 0.000 0.196 331 E C 1.028 177.567 176.600 -0.102 0.000 0.998 331 E CA 1.447 57.797 56.400 -0.084 0.000 0.806 331 E CB -0.234 29.440 29.700 -0.043 0.000 0.738 331 E HN 0.232 nan 8.360 nan 0.000 0.459 332 K N -0.157 120.149 120.400 -0.157 0.000 2.373 332 K HA 0.081 4.420 4.320 0.032 0.000 0.202 332 K C -0.220 176.309 176.600 -0.118 0.000 1.025 332 K CA -0.131 56.072 56.287 -0.141 0.000 1.115 332 K CB 0.765 33.145 32.500 -0.201 0.000 0.858 332 K HN -0.012 nan 8.250 nan 0.000 0.525 333 Q N 0.818 120.544 119.800 -0.123 0.000 2.423 333 Q HA -0.190 4.169 4.340 0.032 0.000 0.332 333 Q C -0.511 175.437 176.000 -0.086 0.000 1.355 333 Q CA 1.153 56.886 55.803 -0.115 0.000 0.947 333 Q CB -1.960 26.708 28.738 -0.116 0.000 1.189 333 Q HN 0.632 nan 8.270 nan 0.000 0.418 334 I N -3.871 116.640 120.570 -0.098 0.000 2.769 334 I HA 0.972 5.161 4.170 0.032 0.000 0.298 334 I C 0.308 176.365 176.117 -0.100 0.000 1.128 334 I CA -0.787 60.479 61.300 -0.056 0.000 1.031 334 I CB 2.774 40.741 38.000 -0.054 0.000 1.235 334 I HN 0.063 nan 8.210 nan 0.000 0.423 335 G N 3.799 112.561 108.800 -0.064 0.000 2.660 335 G HA2 0.706 4.685 3.960 0.032 0.000 0.290 335 G HA3 0.706 4.685 3.960 0.032 0.000 0.290 335 G C -2.204 172.685 174.900 -0.019 0.000 1.432 335 G CA -0.759 44.302 45.100 -0.065 0.000 0.807 335 G HN 0.898 nan 8.290 nan 0.000 0.485 336 I N -0.149 120.421 120.570 -0.000 0.000 2.752 336 I HA 0.704 4.894 4.170 0.032 0.000 0.295 336 I C -1.411 174.770 176.117 0.108 0.000 1.219 336 I CA -0.911 60.434 61.300 0.076 0.000 1.030 336 I CB 2.322 40.389 38.000 0.113 0.000 1.259 336 I HN 0.400 nan 8.210 nan 0.000 0.423 337 V N 7.796 127.805 119.914 0.158 0.000 2.487 337 V HA 0.535 4.674 4.120 0.032 0.000 0.298 337 V C -0.441 175.777 176.094 0.207 0.000 1.028 337 V CA -0.359 62.048 62.300 0.178 0.000 0.860 337 V CB 1.796 33.732 31.823 0.188 0.000 0.991 337 V HN 0.677 nan 8.190 nan 0.000 0.427 338 M N 6.509 126.240 119.600 0.218 0.000 2.067 338 M HA 0.536 5.035 4.480 0.032 0.000 0.286 338 M C -1.344 175.051 176.300 0.160 0.000 0.922 338 M CA -0.074 55.363 55.300 0.230 0.000 0.937 338 M CB 1.601 34.399 32.600 0.329 0.000 1.550 338 M HN 0.369 nan 8.290 nan 0.000 0.433 339 L N 2.872 124.080 121.223 -0.025 0.000 2.296 339 L HA 0.955 5.314 4.340 0.032 0.000 0.286 339 L C -0.216 176.502 176.870 -0.253 0.000 1.023 339 L CA -0.683 53.983 54.840 -0.288 0.000 0.812 339 L CB 1.596 43.108 42.059 -0.911 0.000 1.223 339 L HN 0.731 nan 8.230 nan 0.000 0.421 340 A N 2.219 125.162 122.820 0.206 0.000 2.475 340 A HA 0.554 4.893 4.320 0.032 0.000 0.301 340 A C -0.439 177.539 177.584 0.656 0.000 1.059 340 A CA -0.766 51.547 52.037 0.459 0.000 0.710 340 A CB 1.305 20.567 19.000 0.436 0.000 1.288 340 A HN 0.747 nan 8.150 nan 0.000 0.408 341 N N 0.783 119.788 118.700 0.508 0.000 2.994 341 N HA 0.279 5.038 4.740 0.032 0.000 0.306 341 N C -0.849 174.648 175.510 -0.022 0.000 1.348 341 N CA -0.083 52.939 53.050 -0.047 0.000 1.109 341 N CB 0.515 38.836 38.487 -0.278 0.000 1.415 341 N HN 0.281 nan 8.380 nan 0.000 0.529 342 T N -0.739 113.912 114.554 0.161 0.000 3.435 342 T HA 0.143 4.512 4.350 0.032 0.000 0.344 342 T C -1.218 173.680 174.700 0.329 0.000 1.211 342 T CA -0.729 61.489 62.100 0.198 0.000 1.104 342 T CB 1.206 70.180 68.868 0.176 0.000 1.196 342 T HN 0.138 nan 8.240 nan 0.000 0.471 343 S N 4.023 119.877 115.700 0.257 0.000 3.072 343 S HA 0.359 4.849 4.470 0.032 0.000 0.306 343 S C 0.184 174.916 174.600 0.220 0.000 1.207 343 S CA -0.731 57.605 58.200 0.226 0.000 1.008 343 S CB -0.911 62.388 63.200 0.164 0.000 1.390 343 S HN 0.538 nan 8.310 nan 0.000 0.523 344 Y N 3.042 123.395 120.300 0.088 0.000 2.344 344 Y HA 0.717 5.285 4.550 0.031 0.000 0.330 344 Y C -2.239 173.689 175.900 0.046 0.000 1.330 344 Y CA -2.901 55.234 58.100 0.059 0.000 1.479 344 Y CB -0.518 37.971 38.460 0.050 0.000 1.428 344 Y HN 0.276 nan 8.280 nan 0.000 0.544 345 P HA 0.053 nan 4.420 nan 0.000 0.276 345 P C -0.369 176.832 177.300 -0.165 0.000 1.235 345 P CA -0.125 62.952 63.100 -0.038 0.000 0.772 345 P CB 1.050 32.765 31.700 0.025 0.000 0.871 346 N N 3.876 122.468 118.700 -0.180 0.000 2.091 346 N HA -0.152 4.607 4.740 0.032 0.000 0.193 346 N C -0.918 174.482 175.510 -0.185 0.000 1.021 346 N CA 1.760 54.681 53.050 -0.215 0.000 0.862 346 N CB -2.090 36.311 38.487 -0.143 0.000 1.018 346 N HN 0.462 nan 8.380 nan 0.000 0.429 347 P HA -0.056 nan 4.420 nan 0.000 0.218 347 P C 1.057 178.323 177.300 -0.057 0.000 1.148 347 P CA 1.453 64.507 63.100 -0.077 0.000 0.822 347 P CB -0.052 31.620 31.700 -0.046 0.000 0.784 348 A N -0.345 122.466 122.820 -0.016 0.000 1.968 348 A HA -0.164 4.175 4.320 0.032 0.000 0.217 348 A C 2.162 179.807 177.584 0.102 0.000 1.169 348 A CA 1.146 53.231 52.037 0.079 0.000 0.638 348 A CB -0.789 18.337 19.000 0.211 0.000 0.812 348 A HN 0.108 nan 8.150 nan 0.000 0.446 349 R N -0.487 119.984 120.500 -0.049 0.000 2.066 349 R HA -0.079 4.281 4.340 0.032 0.000 0.232 349 R C 2.177 178.336 176.300 -0.235 0.000 1.131 349 R CA 1.480 57.512 56.100 -0.113 0.000 0.955 349 R CB -0.866 29.203 30.300 -0.386 0.000 0.851 349 R HN 0.505 nan 8.270 nan 0.000 0.432 350 V N 0.996 120.670 119.914 -0.400 0.000 2.515 350 V HA -0.201 3.938 4.120 0.032 0.000 0.250 350 V C 2.078 178.240 176.094 0.114 0.000 1.058 350 V CA 2.280 64.448 62.300 -0.221 0.000 1.064 350 V CB -0.115 31.635 31.823 -0.123 0.000 0.675 350 V HN 0.246 nan 8.190 nan 0.000 0.461 351 E N 1.395 121.630 120.200 0.059 0.000 2.051 351 E HA -0.096 4.274 4.350 0.032 0.000 0.192 351 E C 2.117 178.851 176.600 0.222 0.000 0.991 351 E CA 2.128 58.591 56.400 0.106 0.000 0.799 351 E CB -0.754 28.966 29.700 0.034 0.000 0.748 351 E HN 0.703 nan 8.360 nan 0.000 0.449 352 A N 0.763 123.697 122.820 0.189 0.000 1.898 352 A HA 0.004 4.343 4.320 0.032 0.000 0.216 352 A C 2.446 180.214 177.584 0.307 0.000 1.181 352 A CA 2.046 54.215 52.037 0.219 0.000 0.620 352 A CB -1.031 18.070 19.000 0.167 0.000 0.819 352 A HN 0.405 nan 8.150 nan 0.000 0.442 353 A N -1.544 121.490 122.820 0.357 0.000 1.873 353 A HA -0.100 4.240 4.320 0.032 0.000 0.215 353 A C 2.153 180.049 177.584 0.520 0.000 1.186 353 A CA 1.618 53.932 52.037 0.463 0.000 0.616 353 A CB -0.886 18.537 19.000 0.705 0.000 0.823 353 A HN 0.682 nan 8.150 nan 0.000 0.442 354 Y N -0.078 120.504 120.300 0.469 0.000 2.207 354 Y HA -0.293 4.281 4.550 0.039 0.000 0.287 354 Y C 2.367 178.428 175.900 0.269 0.000 1.156 354 Y CA 2.419 60.764 58.100 0.408 0.000 1.182 354 Y CB -0.568 37.967 38.460 0.124 0.000 0.979 354 Y HN 0.615 nan 8.280 nan 0.000 0.521 355 H N -0.147 119.147 119.070 0.373 0.000 2.353 355 H HA -0.148 4.432 4.556 0.039 0.000 0.300 355 H C 2.086 177.487 175.328 0.122 0.000 1.090 355 H CA 2.342 58.532 56.048 0.236 0.000 1.327 355 H CB -0.462 29.399 29.762 0.165 0.000 1.383 355 H HN 0.491 nan 8.280 nan 0.000 0.508 356 I N -0.947 119.656 120.570 0.055 0.000 2.286 356 I HA -0.109 4.080 4.170 0.032 0.000 0.245 356 I C 1.812 177.870 176.117 -0.099 0.000 1.104 356 I CA 1.310 62.583 61.300 -0.045 0.000 1.397 356 I CB -0.437 37.585 38.000 0.036 0.000 1.072 356 I HN 0.231 nan 8.210 nan 0.000 0.417 357 L N 0.708 121.912 121.223 -0.031 0.000 2.083 357 L HA -0.153 4.206 4.340 0.032 0.000 0.209 357 L C 2.717 179.507 176.870 -0.134 0.000 1.083 357 L CA 1.886 56.678 54.840 -0.080 0.000 0.752 357 L CB -0.874 41.166 42.059 -0.032 0.000 0.899 357 L HN 0.446 nan 8.230 nan 0.000 0.433 358 E N 0.600 120.705 120.200 -0.158 0.000 2.209 358 E HA -0.235 4.134 4.350 0.032 0.000 0.196 358 E C 2.053 178.586 176.600 -0.113 0.000 0.993 358 E CA 1.043 57.368 56.400 -0.126 0.000 0.819 358 E CB 0.075 29.718 29.700 -0.094 0.000 0.745 358 E HN 0.481 nan 8.360 nan 0.000 0.477 359 A N 0.365 123.075 122.820 -0.183 0.000 2.119 359 A HA 0.104 4.443 4.320 0.032 0.000 0.216 359 A C 1.037 178.526 177.584 -0.157 0.000 1.152 359 A CA 0.291 52.225 52.037 -0.172 0.000 0.708 359 A CB -0.028 18.842 19.000 -0.217 0.000 0.805 359 A HN 0.154 nan 8.150 nan 0.000 0.460 360 L N 0.000 121.123 121.223 -0.166 0.000 2.949 360 L HA 0.000 4.359 4.340 0.032 0.000 0.249 360 L CA 0.000 54.735 54.840 -0.175 0.000 0.813 360 L CB 0.000 41.894 42.059 -0.275 0.000 0.961 360 L HN 0.000 nan 8.230 nan 0.000 0.502