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 2yqj_1_B DATA FIRST_RESID 3 DATA SEQUENCE VKSQQQIIDS FKQANQDQLF QYYDSLTIDQ QQEFIDQLST IEEPAKLIST DATA SEQUENCE VEQAXXXXXX XXXXRNFTQL PNEQTASTLD LSKDILQNWT ELGLKAIGNG DATA SEQUENCE EVAVLLMAGG QGTRLGSSAP KGCFNIELPS QKSLFQIQAE KILKIEQLAQ DATA SEQUENCE QYLKSTKKPI INWYIMTSGP TRNATESFFI ENNYFGLNSH QVIFFNQGTL DATA SEQUENCE PCFNLQGNKI LLELKNSICQ SPDGNGGLYK ALKDNGILDD LNSKGIKHIH DATA SEQUENCE MYCVDNCLVK VADPIFIGFA IAKKFDLATK VVRKRDANES VGLIVLDQDN DATA SEQUENCE QKPCVIEYSE ISQELANKKD PQDSSKLFLR AANIVNHYYS VEFLNKMIPK DATA SEQUENCE WISSQKYLPF HIAKKKIPSL NLXXXEFYKP TEPNGIKLEQ FIFDVFPSVE DATA SEQUENCE LNKFGCLEVD RLDEFSPLKN ADGAKNDTPT TCRNHYLERS SKWVIQNGGV DATA SEQUENCE IDNQGLVEVD SKTSYGGEGL EFVNGKHFKN GDII 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.107 176.094 0.022 0.000 1.182 3 V CA 0.000 62.314 62.300 0.024 0.000 1.235 3 V CB 0.000 31.838 31.823 0.025 0.000 1.184 4 K N 0.909 121.325 120.400 0.026 0.000 2.185 4 K HA 0.776 5.095 4.320 -0.001 0.000 0.240 4 K C 0.105 176.720 176.600 0.025 0.000 0.983 4 K CA -0.465 55.836 56.287 0.023 0.000 0.873 4 K CB 1.903 34.418 32.500 0.025 0.000 1.118 4 K HN 0.916 nan 8.250 nan 0.000 0.441 5 S N -0.246 115.465 115.700 0.018 0.000 2.655 5 S HA -0.032 4.438 4.470 -0.001 0.000 0.265 5 S C 1.242 175.854 174.600 0.020 0.000 1.240 5 S CA -0.494 57.718 58.200 0.019 0.000 0.986 5 S CB 1.291 64.498 63.200 0.011 0.000 0.985 5 S HN 0.822 nan 8.310 nan 0.000 0.562 6 Q N 0.052 119.869 119.800 0.027 0.000 2.045 6 Q HA -0.306 4.033 4.340 -0.001 0.000 0.206 6 Q C 2.089 178.075 176.000 -0.024 0.000 0.991 6 Q CA 2.178 57.999 55.803 0.030 0.000 0.851 6 Q CB -0.415 28.364 28.738 0.067 0.000 0.911 6 Q HN 0.810 nan 8.270 nan 0.000 0.418 7 Q N 0.264 120.044 119.800 -0.032 0.000 2.119 7 Q HA -0.160 4.180 4.340 -0.001 0.000 0.201 7 Q C 1.939 177.896 176.000 -0.070 0.000 0.972 7 Q CA 2.092 57.849 55.803 -0.075 0.000 0.847 7 Q CB -0.028 28.678 28.738 -0.053 0.000 0.903 7 Q HN 0.551 nan 8.270 nan 0.000 0.433 8 Q N -0.532 119.249 119.800 -0.032 0.000 2.124 8 Q HA -0.101 4.238 4.340 -0.001 0.000 0.202 8 Q C 2.054 178.054 176.000 0.000 0.000 0.977 8 Q CA 1.428 57.219 55.803 -0.019 0.000 0.850 8 Q CB -0.076 28.659 28.738 -0.005 0.000 0.901 8 Q HN 0.458 nan 8.270 nan 0.000 0.429 9 I N 0.329 120.913 120.570 0.024 0.000 2.252 9 I HA -0.251 3.918 4.170 -0.001 0.000 0.245 9 I C 2.164 178.374 176.117 0.155 0.000 1.102 9 I CA 0.975 62.342 61.300 0.112 0.000 1.385 9 I CB -0.210 37.856 38.000 0.109 0.000 1.064 9 I HN 0.186 nan 8.210 nan 0.000 0.414 10 I N 0.821 121.354 120.570 -0.062 0.000 2.179 10 I HA -0.313 3.856 4.170 -0.001 0.000 0.242 10 I C 2.130 178.128 176.117 -0.199 0.000 1.088 10 I CA 1.455 62.552 61.300 -0.339 0.000 1.357 10 I CB -0.500 37.076 38.000 -0.706 0.000 1.051 10 I HN 0.239 nan 8.210 nan 0.000 0.409 11 D N 0.234 120.551 120.400 -0.138 0.000 2.123 11 D HA -0.194 4.445 4.640 -0.001 0.000 0.196 11 D C 2.273 178.559 176.300 -0.023 0.000 0.992 11 D CA 1.659 55.608 54.000 -0.085 0.000 0.833 11 D CB -0.363 40.394 40.800 -0.072 0.000 0.954 11 D HN 0.222 nan 8.370 nan 0.000 0.455 12 S N -0.375 115.321 115.700 -0.007 0.000 2.365 12 S HA -0.199 4.270 4.470 -0.001 0.000 0.225 12 S C 1.964 176.502 174.600 -0.103 0.000 1.039 12 S CA 1.050 59.211 58.200 -0.065 0.000 1.033 12 S CB -0.485 62.661 63.200 -0.090 0.000 0.887 12 S HN 0.151 nan 8.310 nan 0.000 0.447 13 F N 1.465 121.446 119.950 0.051 0.000 2.259 13 F HA 0.168 4.694 4.527 -0.001 0.000 0.298 13 F C 2.484 178.364 175.800 0.134 0.000 1.088 13 F CA 1.023 59.094 58.000 0.118 0.000 1.358 13 F CB -0.143 38.992 39.000 0.226 0.000 1.040 13 F HN 0.177 nan 8.300 nan 0.000 0.505 14 K N -0.042 120.507 120.400 0.248 0.000 2.103 14 K HA -0.152 4.167 4.320 -0.001 0.000 0.204 14 K C 1.887 178.533 176.600 0.077 0.000 1.052 14 K CA 1.177 57.556 56.287 0.153 0.000 0.945 14 K CB -0.292 32.230 32.500 0.036 0.000 0.722 14 K HN 0.358 nan 8.250 nan 0.000 0.443 15 Q N -0.119 119.700 119.800 0.031 0.000 2.364 15 Q HA -0.046 4.293 4.340 -0.001 0.000 0.207 15 Q C 1.267 177.271 176.000 0.006 0.000 0.970 15 Q CA 0.924 56.730 55.803 0.005 0.000 0.888 15 Q CB 0.113 28.838 28.738 -0.021 0.000 0.951 15 Q HN 0.228 nan 8.270 nan 0.000 0.469 16 A N 0.749 123.576 122.820 0.011 0.000 2.462 16 A HA 0.122 4.441 4.320 -0.001 0.000 0.261 16 A C -0.191 177.434 177.584 0.068 0.000 1.323 16 A CA -0.256 51.788 52.037 0.012 0.000 0.913 16 A CB -0.490 18.479 19.000 -0.052 0.000 1.028 16 A HN 0.535 nan 8.150 nan 0.000 0.511 17 N N -0.496 118.251 118.700 0.079 0.000 2.747 17 N HA -0.147 4.592 4.740 -0.001 0.000 0.249 17 N C -0.417 175.168 175.510 0.125 0.000 1.107 17 N CA 0.516 53.621 53.050 0.092 0.000 0.707 17 N CB -0.450 38.082 38.487 0.074 0.000 1.054 17 N HN 0.487 nan 8.380 nan 0.000 0.555 18 Q N 0.084 119.991 119.800 0.178 0.000 2.341 18 Q HA 0.106 4.446 4.340 -0.001 0.000 0.325 18 Q C 0.080 176.197 176.000 0.194 0.000 0.920 18 Q CA 0.175 56.090 55.803 0.185 0.000 1.065 18 Q CB 0.278 29.177 28.738 0.268 0.000 1.218 18 Q HN 0.427 nan 8.270 nan 0.000 0.434 19 D N 1.057 121.573 120.400 0.193 0.000 2.182 19 D HA -0.235 4.405 4.640 -0.001 0.000 0.201 19 D C 1.883 178.280 176.300 0.161 0.000 0.986 19 D CA 1.107 55.246 54.000 0.232 0.000 0.847 19 D CB 0.210 41.094 40.800 0.141 0.000 0.942 19 D HN 0.271 nan 8.370 nan 0.000 0.467 20 Q N 1.243 121.088 119.800 0.076 0.000 2.364 20 Q HA -0.155 4.185 4.340 -0.001 0.000 0.209 20 Q C 1.855 177.848 176.000 -0.011 0.000 0.977 20 Q CA 0.992 56.812 55.803 0.029 0.000 0.885 20 Q CB -0.610 28.147 28.738 0.031 0.000 0.941 20 Q HN 0.412 nan 8.270 nan 0.000 0.464 21 L N -0.678 120.468 121.223 -0.129 0.000 2.275 21 L HA 0.013 4.353 4.340 -0.001 0.000 0.215 21 L C 1.085 177.725 176.870 -0.383 0.000 1.119 21 L CA 0.730 55.381 54.840 -0.315 0.000 0.790 21 L CB -0.281 41.367 42.059 -0.686 0.000 0.919 21 L HN 0.065 nan 8.230 nan 0.000 0.443 22 F N -1.259 118.784 119.950 0.155 0.000 2.647 22 F HA 0.131 4.658 4.527 -0.001 0.000 0.300 22 F C 2.142 178.009 175.800 0.110 0.000 1.106 22 F CA -0.220 57.886 58.000 0.177 0.000 1.313 22 F CB -0.124 38.880 39.000 0.006 0.000 1.007 22 F HN -0.004 nan 8.300 nan 0.000 0.536 23 Q N 0.224 120.064 119.800 0.065 0.000 2.096 23 Q HA -0.222 4.118 4.340 -0.001 0.000 0.204 23 Q C 0.938 176.750 176.000 -0.314 0.000 0.982 23 Q CA 2.111 57.779 55.803 -0.225 0.000 0.850 23 Q CB -0.092 28.310 28.738 -0.561 0.000 0.901 23 Q HN 0.585 nan 8.270 nan 0.000 0.422 24 Y N -2.072 118.298 120.300 0.117 0.000 2.458 24 Y HA 0.039 4.588 4.550 -0.001 0.000 0.256 24 Y C 1.287 177.257 175.900 0.116 0.000 1.159 24 Y CA -0.337 57.808 58.100 0.075 0.000 1.261 24 Y CB -0.189 38.266 38.460 -0.008 0.000 1.119 24 Y HN 0.185 nan 8.280 nan 0.000 0.524 25 Y N 1.984 122.416 120.300 0.221 0.000 2.069 25 Y HA -0.345 4.205 4.550 -0.001 0.000 0.278 25 Y C 1.745 177.738 175.900 0.156 0.000 1.175 25 Y CA 2.103 60.349 58.100 0.243 0.000 1.134 25 Y CB -0.202 38.489 38.460 0.385 0.000 0.965 25 Y HN 0.140 nan 8.280 nan 0.000 0.498 26 D N -1.067 119.463 120.400 0.218 0.000 2.310 26 D HA -0.119 4.521 4.640 -0.001 0.000 0.212 26 D C 2.124 178.437 176.300 0.022 0.000 0.965 26 D CA 1.362 55.420 54.000 0.096 0.000 0.879 26 D CB -0.366 40.507 40.800 0.123 0.000 0.921 26 D HN 0.499 nan 8.370 nan 0.000 0.510 27 S N -0.441 115.282 115.700 0.038 0.000 2.593 27 S HA 0.078 4.548 4.470 -0.001 0.000 0.217 27 S C 0.978 175.560 174.600 -0.029 0.000 0.966 27 S CA -0.337 57.876 58.200 0.020 0.000 0.914 27 S CB -0.075 63.165 63.200 0.068 0.000 0.776 27 S HN 0.071 nan 8.310 nan 0.000 0.523 28 L N 2.889 124.061 121.223 -0.085 0.000 2.418 28 L HA 0.342 4.682 4.340 -0.001 0.000 0.265 28 L C 1.082 177.876 176.870 -0.125 0.000 1.143 28 L CA -0.630 54.132 54.840 -0.131 0.000 0.809 28 L CB 0.672 42.600 42.059 -0.218 0.000 1.124 28 L HN 0.242 nan 8.230 nan 0.000 0.456 29 T N -1.880 112.614 114.554 -0.100 0.000 2.813 29 T HA 0.232 4.582 4.350 -0.001 0.000 0.297 29 T C 1.330 175.978 174.700 -0.087 0.000 1.036 29 T CA -0.549 61.505 62.100 -0.076 0.000 1.044 29 T CB 0.867 69.701 68.868 -0.057 0.000 0.993 29 T HN 0.434 nan 8.240 nan 0.000 0.535 30 I N 0.414 120.948 120.570 -0.060 0.000 2.264 30 I HA -0.157 4.012 4.170 -0.001 0.000 0.248 30 I C 2.451 178.551 176.117 -0.028 0.000 1.111 30 I CA 1.866 63.138 61.300 -0.047 0.000 1.382 30 I CB -0.479 37.510 38.000 -0.018 0.000 1.060 30 I HN 0.819 nan 8.210 nan 0.000 0.418 31 D N 0.349 120.735 120.400 -0.024 0.000 2.178 31 D HA -0.213 4.427 4.640 -0.001 0.000 0.201 31 D C 2.239 178.535 176.300 -0.007 0.000 0.980 31 D CA 1.299 55.294 54.000 -0.009 0.000 0.842 31 D CB 0.126 40.919 40.800 -0.013 0.000 0.948 31 D HN 0.344 nan 8.370 nan 0.000 0.472 32 Q N -0.548 119.230 119.800 -0.036 0.000 2.123 32 Q HA -0.137 4.203 4.340 -0.001 0.000 0.199 32 Q C 2.318 178.322 176.000 0.007 0.000 0.966 32 Q CA 0.944 56.723 55.803 -0.041 0.000 0.845 32 Q CB -0.013 28.669 28.738 -0.094 0.000 0.907 32 Q HN 0.467 nan 8.270 nan 0.000 0.439 33 Q N 0.598 120.369 119.800 -0.049 0.000 2.050 33 Q HA -0.221 4.118 4.340 -0.001 0.000 0.202 33 Q C 2.103 178.236 176.000 0.222 0.000 0.980 33 Q CA 1.351 57.158 55.803 0.008 0.000 0.840 33 Q CB -0.123 28.453 28.738 -0.269 0.000 0.898 33 Q HN 0.430 nan 8.270 nan 0.000 0.424 34 Q N 0.535 120.410 119.800 0.125 0.000 2.096 34 Q HA -0.231 4.108 4.340 -0.001 0.000 0.204 34 Q C 1.968 178.046 176.000 0.129 0.000 0.982 34 Q CA 1.354 57.230 55.803 0.122 0.000 0.850 34 Q CB -0.054 28.727 28.738 0.072 0.000 0.901 34 Q HN 0.254 nan 8.270 nan 0.000 0.422 35 E N 0.380 120.651 120.200 0.119 0.000 2.077 35 E HA -0.137 4.212 4.350 -0.001 0.000 0.193 35 E C 1.406 178.123 176.600 0.195 0.000 0.989 35 E CA 0.946 57.414 56.400 0.115 0.000 0.800 35 E CB -0.248 29.496 29.700 0.074 0.000 0.746 35 E HN 0.379 nan 8.360 nan 0.000 0.452 36 F N 0.027 120.003 119.950 0.043 0.000 2.134 36 F HA -0.220 4.306 4.527 -0.001 0.000 0.299 36 F C 1.652 177.488 175.800 0.060 0.000 1.097 36 F CA 0.528 58.558 58.000 0.050 0.000 1.264 36 F CB 0.122 39.193 39.000 0.120 0.000 1.001 36 F HN 0.064 nan 8.300 nan 0.000 0.479 37 I N 0.530 121.187 120.570 0.146 0.000 2.252 37 I HA -0.268 3.901 4.170 -0.001 0.000 0.245 37 I C 1.881 178.004 176.117 0.009 0.000 1.102 37 I CA 1.366 62.675 61.300 0.015 0.000 1.385 37 I CB -1.458 36.606 38.000 0.108 0.000 1.064 37 I HN 0.148 nan 8.210 nan 0.000 0.414 38 D N 0.380 120.814 120.400 0.057 0.000 2.144 38 D HA -0.229 4.410 4.640 -0.001 0.000 0.199 38 D C 2.137 178.457 176.300 0.035 0.000 0.984 38 D CA 1.040 55.069 54.000 0.048 0.000 0.834 38 D CB -0.202 40.631 40.800 0.056 0.000 0.955 38 D HN 0.466 nan 8.370 nan 0.000 0.465 39 Q N 0.264 120.085 119.800 0.035 0.000 2.046 39 Q HA -0.103 4.237 4.340 -0.001 0.000 0.200 39 Q C 2.264 178.244 176.000 -0.035 0.000 0.975 39 Q CA 0.902 56.719 55.803 0.023 0.000 0.836 39 Q CB -0.136 28.647 28.738 0.076 0.000 0.896 39 Q HN 0.269 nan 8.270 nan 0.000 0.428 40 L N 1.086 122.211 121.223 -0.163 0.000 2.191 40 L HA -0.120 4.220 4.340 -0.001 0.000 0.212 40 L C 2.610 179.515 176.870 0.060 0.000 1.103 40 L CA 1.164 55.854 54.840 -0.250 0.000 0.769 40 L CB -0.472 41.170 42.059 -0.696 0.000 0.908 40 L HN 0.351 nan 8.230 nan 0.000 0.438 41 S N -1.458 114.275 115.700 0.055 0.000 2.515 41 S HA -0.111 4.359 4.470 -0.001 0.000 0.231 41 S C 1.865 176.524 174.600 0.098 0.000 0.987 41 S CA 0.933 59.197 58.200 0.105 0.000 0.936 41 S CB -0.625 62.617 63.200 0.070 0.000 0.766 41 S HN 0.554 nan 8.310 nan 0.000 0.528 42 T N -0.441 114.163 114.554 0.084 0.000 3.113 42 T HA 0.329 4.678 4.350 -0.001 0.000 0.256 42 T C 0.592 175.350 174.700 0.098 0.000 1.131 42 T CA -0.136 62.011 62.100 0.077 0.000 1.074 42 T CB -0.679 68.225 68.868 0.061 0.000 0.944 42 T HN 0.452 nan 8.240 nan 0.000 0.516 43 I N 2.690 123.346 120.570 0.143 0.000 2.281 43 I HA 0.367 4.537 4.170 -0.001 0.000 0.293 43 I C 0.863 177.052 176.117 0.119 0.000 1.085 43 I CA -0.482 60.916 61.300 0.164 0.000 1.257 43 I CB 0.064 38.232 38.000 0.280 0.000 1.430 43 I HN 0.333 nan 8.210 nan 0.000 0.489 44 E N 4.888 125.142 120.200 0.090 0.000 2.417 44 E HA 0.330 4.680 4.350 -0.001 0.000 0.261 44 E C 0.821 177.443 176.600 0.037 0.000 1.000 44 E CA 0.241 56.677 56.400 0.060 0.000 0.919 44 E CB -0.085 29.655 29.700 0.067 0.000 0.955 44 E HN 0.814 nan 8.360 nan 0.000 0.455 45 E N 2.905 123.103 120.200 -0.004 0.000 2.235 45 E HA -0.151 4.198 4.350 -0.001 0.000 0.176 45 E C -0.982 175.584 176.600 -0.057 0.000 1.687 45 E CA 0.569 56.944 56.400 -0.041 0.000 0.617 45 E CB -1.916 27.774 29.700 -0.016 0.000 1.030 45 E HN 0.615 nan 8.360 nan 0.000 0.307 46 P HA -0.143 nan 4.420 nan 0.000 0.216 46 P C 1.754 178.993 177.300 -0.102 0.000 1.153 46 P CA 1.639 64.623 63.100 -0.194 0.000 0.848 46 P CB -0.074 31.207 31.700 -0.699 0.000 0.787 47 A N 0.989 123.730 122.820 -0.132 0.000 1.892 47 A HA -0.238 4.082 4.320 -0.001 0.000 0.218 47 A C 2.598 180.171 177.584 -0.018 0.000 1.188 47 A CA 3.366 55.365 52.037 -0.064 0.000 0.631 47 A CB -1.758 17.201 19.000 -0.069 0.000 0.822 47 A HN 0.294 nan 8.150 nan 0.000 0.447 48 K N -0.656 119.732 120.400 -0.019 0.000 2.097 48 K HA 0.026 4.346 4.320 -0.001 0.000 0.206 48 K C 1.990 178.603 176.600 0.020 0.000 1.049 48 K CA 1.742 58.023 56.287 -0.009 0.000 0.933 48 K CB -1.135 31.357 32.500 -0.012 0.000 0.717 48 K HN 0.579 nan 8.250 nan 0.000 0.442 49 L N 0.522 121.790 121.223 0.074 0.000 2.056 49 L HA 0.072 4.412 4.340 -0.001 0.000 0.207 49 L C 2.826 179.805 176.870 0.182 0.000 1.078 49 L CA 2.157 57.105 54.840 0.180 0.000 0.749 49 L CB -0.483 41.722 42.059 0.244 0.000 0.901 49 L HN 0.395 nan 8.230 nan 0.000 0.433 50 I N -1.296 119.372 120.570 0.163 0.000 2.394 50 I HA -0.090 4.080 4.170 -0.001 0.000 0.251 50 I C 2.708 178.850 176.117 0.042 0.000 1.136 50 I CA 2.140 63.541 61.300 0.168 0.000 1.425 50 I CB -1.965 36.146 38.000 0.184 0.000 1.079 50 I HN 0.600 nan 8.210 nan 0.000 0.425 51 S N -0.001 115.708 115.700 0.016 0.000 2.345 51 S HA -0.185 4.284 4.470 -0.001 0.000 0.219 51 S C 2.190 176.751 174.600 -0.065 0.000 1.031 51 S CA 2.026 60.211 58.200 -0.025 0.000 0.984 51 S CB -1.128 62.054 63.200 -0.031 0.000 0.874 51 S HN 0.596 nan 8.310 nan 0.000 0.451 52 T N 1.765 116.269 114.554 -0.083 0.000 2.665 52 T HA -0.114 4.236 4.350 -0.001 0.000 0.268 52 T C 1.966 176.579 174.700 -0.144 0.000 1.035 52 T CA 1.721 63.712 62.100 -0.182 0.000 1.151 52 T CB -0.525 68.148 68.868 -0.326 0.000 0.862 52 T HN 0.259 nan 8.240 nan 0.000 0.438 53 V N 1.599 121.474 119.914 -0.064 0.000 2.515 53 V HA -0.117 4.003 4.120 -0.001 0.000 0.250 53 V C 3.039 179.032 176.094 -0.168 0.000 1.058 53 V CA 2.175 64.388 62.300 -0.145 0.000 1.064 53 V CB -1.398 30.104 31.823 -0.536 0.000 0.675 53 V HN 0.722 nan 8.190 nan 0.000 0.461 54 E N 0.096 120.224 120.200 -0.120 0.000 2.070 54 E HA -0.343 4.007 4.350 -0.001 0.000 0.197 54 E C 2.228 178.780 176.600 -0.080 0.000 1.004 54 E CA 2.662 59.013 56.400 -0.081 0.000 0.805 54 E CB -1.103 28.569 29.700 -0.047 0.000 0.744 54 E HN 0.763 nan 8.360 nan 0.000 0.451 55 Q N 0.256 120.001 119.800 -0.092 0.000 1.858 55 Q HA 0.263 4.602 4.340 -0.001 0.000 0.240 55 Q C 2.280 178.227 176.000 -0.088 0.000 1.014 55 Q CA 2.168 57.915 55.803 -0.093 0.000 0.884 55 Q CB -1.374 27.290 28.738 -0.124 0.000 0.957 55 Q HN 1.424 nan 8.270 nan 0.000 0.419 68 N N 2.943 121.288 118.700 -0.593 0.000 2.518 68 N HA 0.509 5.248 4.740 -0.001 0.000 0.254 68 N C -1.051 174.250 175.510 -0.349 0.000 0.979 68 N CA -0.201 52.631 53.050 -0.363 0.000 0.930 68 N CB 0.968 39.358 38.487 -0.161 0.000 1.152 68 N HN 0.271 nan 8.380 nan 0.000 0.505 69 F N -0.038 119.967 119.950 0.091 0.000 2.523 69 F HA 0.715 5.241 4.527 -0.001 0.000 0.329 69 F C 1.122 177.033 175.800 0.185 0.000 1.061 69 F CA -0.762 57.295 58.000 0.095 0.000 0.967 69 F CB 2.248 41.289 39.000 0.068 0.000 1.218 69 F HN 0.185 nan 8.300 nan 0.000 0.480 70 T N -0.386 114.368 114.554 0.334 0.000 2.618 70 T HA 0.323 4.673 4.350 -0.001 0.000 0.293 70 T C -1.581 173.106 174.700 -0.020 0.000 1.093 70 T CA -0.657 61.607 62.100 0.273 0.000 1.061 70 T CB 1.479 70.509 68.868 0.269 0.000 1.498 70 T HN 0.589 nan 8.240 nan 0.000 0.494 71 Q N 1.180 120.933 119.800 -0.079 0.000 2.230 71 Q HA 0.545 4.885 4.340 -0.001 0.000 0.253 71 Q C -0.441 175.539 176.000 -0.032 0.000 0.919 71 Q CA -0.653 55.063 55.803 -0.144 0.000 0.908 71 Q CB 1.521 30.147 28.738 -0.187 0.000 1.245 71 Q HN 0.507 nan 8.270 nan 0.000 0.437 72 L N 4.404 125.608 121.223 -0.032 0.000 2.540 72 L HA 0.058 4.398 4.340 -0.001 0.000 0.276 72 L C -1.723 175.168 176.870 0.035 0.000 1.212 72 L CA -1.299 53.548 54.840 0.012 0.000 0.893 72 L CB -0.175 41.909 42.059 0.042 0.000 1.138 72 L HN 0.356 nan 8.230 nan 0.000 0.491 73 P HA -0.045 nan 4.420 nan 0.000 0.265 73 P C 0.102 177.444 177.300 0.070 0.000 1.193 73 P CA -0.014 63.121 63.100 0.057 0.000 0.765 73 P CB 0.565 32.300 31.700 0.058 0.000 0.823 74 N N 3.084 121.825 118.700 0.067 0.000 2.182 74 N HA -0.287 4.452 4.740 -0.001 0.000 0.192 74 N C 1.873 177.445 175.510 0.103 0.000 1.007 74 N CA 2.357 55.452 53.050 0.076 0.000 0.873 74 N CB -0.383 38.143 38.487 0.066 0.000 0.998 74 N HN 0.586 nan 8.380 nan 0.000 0.436 75 E N -0.228 120.033 120.200 0.101 0.000 2.267 75 E HA -0.155 4.194 4.350 -0.001 0.000 0.197 75 E C 1.652 178.354 176.600 0.169 0.000 0.998 75 E CA 1.357 57.832 56.400 0.124 0.000 0.830 75 E CB -0.569 29.192 29.700 0.103 0.000 0.751 75 E HN 0.509 nan 8.360 nan 0.000 0.491 76 Q N -0.185 119.704 119.800 0.149 0.000 2.356 76 Q HA 0.110 4.450 4.340 -0.001 0.000 0.205 76 Q C 0.984 177.083 176.000 0.164 0.000 0.901 76 Q CA 0.944 56.830 55.803 0.139 0.000 0.938 76 Q CB 0.528 29.339 28.738 0.121 0.000 1.081 76 Q HN 0.673 nan 8.270 nan 0.000 0.517 77 T N -1.792 112.868 114.554 0.177 0.000 2.945 77 T HA 0.850 5.200 4.350 -0.001 0.000 0.286 77 T C -0.313 174.512 174.700 0.207 0.000 1.025 77 T CA -0.546 61.653 62.100 0.165 0.000 1.039 77 T CB 2.317 71.241 68.868 0.093 0.000 1.068 77 T HN 0.103 nan 8.240 nan 0.000 0.497 78 A N 0.741 123.641 122.820 0.133 0.000 2.612 78 A HA 0.801 5.121 4.320 -0.001 0.000 0.293 78 A C -0.613 176.964 177.584 -0.011 0.000 1.075 78 A CA -0.781 51.327 52.037 0.119 0.000 0.680 78 A CB 1.501 20.652 19.000 0.252 0.000 1.279 78 A HN 1.345 nan 8.150 nan 0.000 0.411 79 S N -0.332 115.368 115.700 -0.001 0.000 2.677 79 S HA 0.484 4.954 4.470 -0.001 0.000 0.283 79 S C 0.849 175.423 174.600 -0.043 0.000 1.159 79 S CA 0.431 58.606 58.200 -0.042 0.000 1.001 79 S CB 1.115 64.296 63.200 -0.031 0.000 1.032 79 S HN 1.817 nan 8.310 nan 0.000 0.487 80 T N 3.111 117.633 114.554 -0.055 0.000 2.977 80 T HA 0.004 4.353 4.350 -0.001 0.000 0.271 80 T C 1.586 176.255 174.700 -0.051 0.000 1.105 80 T CA 0.906 62.977 62.100 -0.049 0.000 1.116 80 T CB -0.519 68.326 68.868 -0.038 0.000 0.878 80 T HN 0.602 nan 8.240 nan 0.000 0.509 81 L N 0.255 121.450 121.223 -0.047 0.000 2.395 81 L HA 0.147 4.487 4.340 -0.001 0.000 0.218 81 L C 1.806 178.651 176.870 -0.041 0.000 1.130 81 L CA 0.764 55.580 54.840 -0.040 0.000 0.826 81 L CB -0.134 41.904 42.059 -0.036 0.000 0.941 81 L HN 0.169 nan 8.230 nan 0.000 0.451 82 D N -1.026 119.346 120.400 -0.045 0.000 2.455 82 D HA 0.196 4.835 4.640 -0.001 0.000 0.228 82 D C 0.785 177.044 176.300 -0.069 0.000 1.070 82 D CA 0.078 54.051 54.000 -0.045 0.000 0.881 82 D CB 0.400 41.183 40.800 -0.028 0.000 1.087 82 D HN 0.063 nan 8.370 nan 0.000 0.498 83 L N 1.954 123.118 121.223 -0.099 0.000 2.483 83 L HA 0.096 4.435 4.340 -0.001 0.000 0.276 83 L C 1.113 177.884 176.870 -0.164 0.000 1.213 83 L CA -0.284 54.455 54.840 -0.168 0.000 0.843 83 L CB 0.399 42.283 42.059 -0.292 0.000 1.107 83 L HN -0.020 nan 8.230 nan 0.000 0.487 84 S N 1.303 116.898 115.700 -0.175 0.000 2.584 84 S HA 0.035 4.504 4.470 -0.001 0.000 0.270 84 S C 1.156 175.657 174.600 -0.165 0.000 1.346 84 S CA -0.715 57.399 58.200 -0.144 0.000 1.018 84 S CB 1.451 64.574 63.200 -0.128 0.000 0.899 84 S HN 0.468 nan 8.310 nan 0.000 0.542 85 K N 1.267 121.594 120.400 -0.122 0.000 2.103 85 K HA -0.110 4.209 4.320 -0.001 0.000 0.207 85 K C 1.579 178.098 176.600 -0.136 0.000 1.048 85 K CA 1.864 58.082 56.287 -0.115 0.000 0.930 85 K CB -1.172 31.280 32.500 -0.081 0.000 0.716 85 K HN 0.764 nan 8.250 nan 0.000 0.444 86 D N 0.225 120.546 120.400 -0.133 0.000 2.097 86 D HA -0.006 4.633 4.640 -0.001 0.000 0.195 86 D C 1.880 178.058 176.300 -0.203 0.000 0.989 86 D CA 1.163 55.084 54.000 -0.133 0.000 0.827 86 D CB -0.281 40.457 40.800 -0.104 0.000 0.966 86 D HN 0.251 nan 8.370 nan 0.000 0.456 87 I N 0.524 120.919 120.570 -0.291 0.000 2.208 87 I HA -0.246 3.924 4.170 -0.001 0.000 0.245 87 I C 2.351 178.056 176.117 -0.687 0.000 1.097 87 I CA 0.717 61.704 61.300 -0.521 0.000 1.363 87 I CB -0.138 37.490 38.000 -0.621 0.000 1.051 87 I HN 0.004 nan 8.210 nan 0.000 0.413 88 L N -0.058 120.878 121.223 -0.479 0.000 2.046 88 L HA -0.259 4.081 4.340 -0.001 0.000 0.208 88 L C 2.665 179.445 176.870 -0.150 0.000 1.077 88 L CA 1.459 56.117 54.840 -0.304 0.000 0.747 88 L CB -0.668 41.284 42.059 -0.179 0.000 0.896 88 L HN 0.367 nan 8.230 nan 0.000 0.432 89 Q N 0.413 120.124 119.800 -0.148 0.000 2.119 89 Q HA -0.240 4.100 4.340 -0.001 0.000 0.201 89 Q C 2.093 178.046 176.000 -0.077 0.000 0.972 89 Q CA 1.707 57.452 55.803 -0.097 0.000 0.847 89 Q CB -0.095 28.592 28.738 -0.085 0.000 0.903 89 Q HN 0.503 nan 8.270 nan 0.000 0.433 90 N N -0.607 118.035 118.700 -0.096 0.000 2.120 90 N HA -0.169 4.570 4.740 -0.001 0.000 0.188 90 N C 1.343 176.929 175.510 0.126 0.000 1.024 90 N CA 1.276 54.316 53.050 -0.016 0.000 0.852 90 N CB -0.153 38.314 38.487 -0.034 0.000 1.003 90 N HN 0.355 nan 8.380 nan 0.000 0.424 91 W N 1.497 122.755 121.300 -0.069 0.000 2.363 91 W HA -0.004 4.655 4.660 -0.001 0.000 0.296 91 W C 2.509 178.961 176.519 -0.112 0.000 1.212 91 W CA 0.839 58.141 57.345 -0.071 0.000 1.260 91 W CB -1.340 28.107 29.460 -0.023 0.000 1.131 91 W HN 0.070 nan 8.180 nan 0.000 0.530 92 T N 0.284 114.900 114.554 0.104 0.000 2.788 92 T HA -0.197 4.153 4.350 -0.001 0.000 0.268 92 T C 1.499 176.081 174.700 -0.196 0.000 1.044 92 T CA 1.883 63.953 62.100 -0.050 0.000 1.139 92 T CB -0.175 68.643 68.868 -0.084 0.000 0.867 92 T HN 0.253 nan 8.240 nan 0.000 0.454 93 E N 0.653 120.711 120.200 -0.236 0.000 2.072 93 E HA 0.017 4.367 4.350 -0.001 0.000 0.190 93 E C 2.231 178.666 176.600 -0.275 0.000 0.982 93 E CA 0.660 56.769 56.400 -0.485 0.000 0.803 93 E CB -0.235 29.266 29.700 -0.331 0.000 0.755 93 E HN 0.399 nan 8.360 nan 0.000 0.453 94 L N 0.448 121.614 121.223 -0.096 0.000 2.083 94 L HA -0.122 4.218 4.340 -0.001 0.000 0.209 94 L C 2.543 179.349 176.870 -0.107 0.000 1.083 94 L CA 1.198 56.001 54.840 -0.061 0.000 0.752 94 L CB -0.645 41.387 42.059 -0.045 0.000 0.899 94 L HN 0.246 nan 8.230 nan 0.000 0.433 95 G N 0.092 108.817 108.800 -0.124 0.000 2.421 95 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.216 95 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.216 95 G C 1.605 176.436 174.900 -0.116 0.000 1.171 95 G CA 0.464 45.486 45.100 -0.129 0.000 0.775 95 G HN 0.226 nan 8.290 nan 0.000 0.543 96 L N 0.244 121.360 121.223 -0.178 0.000 2.131 96 L HA -0.019 4.320 4.340 -0.001 0.000 0.210 96 L C 2.771 179.642 176.870 0.001 0.000 1.092 96 L CA 1.411 56.166 54.840 -0.142 0.000 0.759 96 L CB -0.267 41.621 42.059 -0.284 0.000 0.903 96 L HN 0.261 nan 8.230 nan 0.000 0.435 97 K N 0.592 121.007 120.400 0.026 0.000 2.057 97 K HA -0.157 4.162 4.320 -0.001 0.000 0.206 97 K C 2.172 178.827 176.600 0.092 0.000 1.050 97 K CA 1.260 57.636 56.287 0.149 0.000 0.935 97 K CB -0.067 32.540 32.500 0.177 0.000 0.715 97 K HN 0.225 nan 8.250 nan 0.000 0.439 98 A N 1.346 124.196 122.820 0.051 0.000 1.902 98 A HA -0.118 4.201 4.320 -0.001 0.000 0.217 98 A C 2.093 179.739 177.584 0.103 0.000 1.181 98 A CA 1.482 53.572 52.037 0.089 0.000 0.623 98 A CB -0.578 18.443 19.000 0.035 0.000 0.818 98 A HN 0.353 nan 8.150 nan 0.000 0.443 99 I N -0.304 120.306 120.570 0.066 0.000 2.142 99 I HA -0.214 3.955 4.170 -0.001 0.000 0.240 99 I C 2.723 178.881 176.117 0.069 0.000 1.078 99 I CA 1.254 62.593 61.300 0.066 0.000 1.343 99 I CB -0.688 37.327 38.000 0.025 0.000 1.046 99 I HN 0.395 nan 8.210 nan 0.000 0.405 100 G N 0.826 109.669 108.800 0.073 0.000 2.450 100 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.220 100 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.220 100 G C 1.204 176.145 174.900 0.069 0.000 1.130 100 G CA 0.663 45.808 45.100 0.075 0.000 0.760 100 G HN 0.327 nan 8.290 nan 0.000 0.557 101 N N 0.784 119.530 118.700 0.077 0.000 2.313 101 N HA 0.144 4.883 4.740 -0.001 0.000 0.207 101 N C 1.475 177.028 175.510 0.072 0.000 1.141 101 N CA 0.646 53.737 53.050 0.069 0.000 0.830 101 N CB 0.169 38.700 38.487 0.073 0.000 1.008 101 N HN 0.343 nan 8.380 nan 0.000 0.481 102 G N 1.211 110.057 108.800 0.077 0.000 2.283 102 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.280 102 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.280 102 G C 0.536 175.493 174.900 0.096 0.000 1.029 102 G CA 0.372 45.520 45.100 0.080 0.000 0.840 102 G HN 0.474 nan 8.290 nan 0.000 0.505 103 E N -1.417 118.859 120.200 0.127 0.000 2.481 103 E HA 0.277 4.627 4.350 -0.001 0.000 0.198 103 E C 0.653 177.381 176.600 0.213 0.000 1.027 103 E CA -0.033 56.455 56.400 0.147 0.000 0.900 103 E CB 1.002 30.814 29.700 0.186 0.000 0.993 103 E HN 0.372 nan 8.360 nan 0.000 0.482 104 V N 1.291 121.332 119.914 0.211 0.000 2.483 104 V HA 0.680 4.799 4.120 -0.001 0.000 0.295 104 V C -0.172 176.054 176.094 0.219 0.000 1.035 104 V CA -0.739 61.704 62.300 0.238 0.000 0.896 104 V CB 1.496 33.439 31.823 0.201 0.000 0.986 104 V HN 0.126 nan 8.190 nan 0.000 0.447 105 A N 3.979 126.957 122.820 0.262 0.000 2.498 105 A HA 0.909 5.229 4.320 -0.001 0.000 0.298 105 A C -1.217 176.588 177.584 0.368 0.000 1.075 105 A CA -0.577 51.649 52.037 0.315 0.000 0.714 105 A CB 2.068 21.298 19.000 0.383 0.000 1.299 105 A HN 0.600 nan 8.150 nan 0.000 0.407 106 V N 1.646 121.812 119.914 0.420 0.000 2.513 106 V HA 0.509 4.629 4.120 -0.001 0.000 0.299 106 V C -0.508 175.938 176.094 0.587 0.000 1.035 106 V CA -0.398 62.189 62.300 0.478 0.000 0.889 106 V CB 1.559 33.627 31.823 0.407 0.000 0.988 106 V HN 0.743 nan 8.190 nan 0.000 0.440 107 L N 5.021 126.535 121.223 0.486 0.000 2.316 107 L HA 0.537 4.877 4.340 -0.001 0.000 0.280 107 L C -0.939 176.080 176.870 0.248 0.000 1.006 107 L CA -0.611 54.465 54.840 0.395 0.000 0.836 107 L CB 1.590 43.810 42.059 0.268 0.000 1.221 107 L HN 0.527 nan 8.230 nan 0.000 0.418 108 L N 5.120 126.460 121.223 0.194 0.000 2.289 108 L HA 0.515 4.854 4.340 -0.001 0.000 0.285 108 L C -0.507 176.310 176.870 -0.088 0.000 1.049 108 L CA 0.066 54.830 54.840 -0.127 0.000 0.804 108 L CB 1.376 43.474 42.059 0.065 0.000 1.195 108 L HN 0.532 nan 8.230 nan 0.000 0.428 109 M N 5.988 125.493 119.600 -0.159 0.000 2.063 109 M HA 0.503 4.982 4.480 -0.001 0.000 0.348 109 M C 0.140 176.406 176.300 -0.057 0.000 1.180 109 M CA -0.147 55.103 55.300 -0.082 0.000 1.059 109 M CB 1.413 33.980 32.600 -0.054 0.000 1.544 109 M HN 0.799 nan 8.290 nan 0.000 0.447 110 A N 2.438 125.243 122.820 -0.026 0.000 2.663 110 A HA 0.531 4.850 4.320 -0.001 0.000 0.273 110 A C 1.066 178.660 177.584 0.018 0.000 0.932 110 A CA -0.386 51.677 52.037 0.044 0.000 1.055 110 A CB -0.168 18.956 19.000 0.207 0.000 1.206 110 A HN 0.948 nan 8.150 nan 0.000 0.485 111 G N -0.286 108.495 108.800 -0.032 0.000 2.986 111 G HA2 0.389 4.349 3.960 -0.001 0.000 0.213 111 G HA3 0.389 4.349 3.960 -0.001 0.000 0.213 111 G C 0.793 175.681 174.900 -0.019 0.000 1.156 111 G CA 0.573 45.648 45.100 -0.041 0.000 0.763 111 G HN 0.769 nan 8.290 nan 0.000 0.547 112 G N -1.225 107.569 108.800 -0.011 0.000 2.544 112 G HA2 0.415 4.375 3.960 -0.001 0.000 0.242 112 G HA3 0.415 4.375 3.960 -0.001 0.000 0.242 112 G C 0.760 175.657 174.900 -0.004 0.000 1.247 112 G CA 0.630 45.727 45.100 -0.005 0.000 0.840 112 G HN 0.457 nan 8.290 nan 0.000 0.578 113 Q N 0.398 120.198 119.800 -0.001 0.000 2.398 113 Q HA 0.388 4.727 4.340 -0.001 0.000 0.204 113 Q C 1.785 177.780 176.000 -0.008 0.000 0.932 113 Q CA 1.183 56.985 55.803 -0.002 0.000 0.916 113 Q CB -0.452 28.287 28.738 0.002 0.000 1.024 113 Q HN 2.542 nan 8.270 nan 0.000 0.504 114 G N -0.605 108.187 108.800 -0.014 0.000 2.354 114 G HA2 0.004 3.964 3.960 -0.001 0.000 0.278 114 G HA3 0.004 3.964 3.960 -0.001 0.000 0.278 114 G C 0.834 175.719 174.900 -0.026 0.000 0.953 114 G CA 0.767 45.849 45.100 -0.029 0.000 1.346 114 G HN 1.312 nan 8.290 nan 0.000 0.467 115 T N 0.045 114.589 114.554 -0.017 0.000 3.035 115 T HA 0.158 4.507 4.350 -0.001 0.000 0.259 115 T C 2.199 176.884 174.700 -0.024 0.000 1.078 115 T CA 1.496 63.587 62.100 -0.015 0.000 1.132 115 T CB -0.081 68.784 68.868 -0.005 0.000 0.900 115 T HN 0.533 nan 8.240 nan 0.000 0.480 116 R N -0.241 120.240 120.500 -0.032 0.000 2.189 116 R HA 0.121 4.461 4.340 -0.001 0.000 0.223 116 R C 1.999 178.258 176.300 -0.070 0.000 1.092 116 R CA 0.573 56.647 56.100 -0.045 0.000 0.989 116 R CB -0.249 30.022 30.300 -0.048 0.000 0.876 116 R HN 0.398 nan 8.270 nan 0.000 0.457 117 L N -1.189 119.983 121.223 -0.086 0.000 2.051 117 L HA 0.142 4.482 4.340 -0.001 0.000 0.202 117 L C 1.422 178.253 176.870 -0.064 0.000 1.097 117 L CA 2.572 57.336 54.840 -0.126 0.000 0.762 117 L CB -0.296 41.655 42.059 -0.180 0.000 0.913 117 L HN 0.303 nan 8.230 nan 0.000 0.447 118 G N -2.730 106.056 108.800 -0.025 0.000 2.485 118 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.181 118 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.181 118 G C 0.538 175.464 174.900 0.044 0.000 0.999 118 G CA 0.213 45.320 45.100 0.011 0.000 0.721 118 G HN 0.799 nan 8.290 nan 0.000 0.486 119 S N 0.311 116.058 115.700 0.078 0.000 2.568 119 S HA 0.725 5.194 4.470 -0.001 0.000 0.282 119 S C 1.453 176.077 174.600 0.040 0.000 1.338 119 S CA 1.074 59.332 58.200 0.096 0.000 1.045 119 S CB 0.617 63.922 63.200 0.175 0.000 0.873 119 S HN 1.649 nan 8.310 nan 0.000 0.516 120 S N 0.204 115.919 115.700 0.024 0.000 2.548 120 S HA 0.628 5.097 4.470 -0.001 0.000 0.215 120 S C 0.884 175.486 174.600 0.004 0.000 0.976 120 S CA 0.694 58.900 58.200 0.010 0.000 0.908 120 S CB -0.153 63.049 63.200 0.004 0.000 0.781 120 S HN 1.409 nan 8.310 nan 0.000 0.519 121 A N 1.127 123.948 122.820 0.002 0.000 2.288 121 A HA 0.778 5.097 4.320 -0.001 0.000 0.328 121 A C -2.879 174.700 177.584 -0.008 0.000 1.123 121 A CA -1.796 50.232 52.037 -0.015 0.000 0.861 121 A CB 0.050 19.019 19.000 -0.051 0.000 1.272 121 A HN 0.133 nan 8.150 nan 0.000 0.490 122 P HA 0.075 nan 4.420 nan 0.000 0.265 122 P C 0.538 177.809 177.300 -0.050 0.000 1.193 122 P CA 0.071 63.183 63.100 0.020 0.000 0.765 122 P CB 0.586 32.369 31.700 0.139 0.000 0.823 123 K N 2.821 123.181 120.400 -0.067 0.000 2.113 123 K HA -0.176 4.143 4.320 -0.001 0.000 0.208 123 K C 2.020 178.464 176.600 -0.261 0.000 1.047 123 K CA 1.994 58.215 56.287 -0.109 0.000 0.928 123 K CB -0.827 31.601 32.500 -0.120 0.000 0.716 123 K HN 0.667 nan 8.250 nan 0.000 0.446 124 G N 0.074 108.521 108.800 -0.587 0.000 2.479 124 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.220 124 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.220 124 G C 1.352 175.702 174.900 -0.916 0.000 1.115 124 G CA 0.964 45.180 45.100 -1.474 0.000 0.757 124 G HN 0.436 nan 8.290 nan 0.000 0.560 125 C N -0.575 118.439 119.300 -0.476 0.000 2.539 125 C HA 0.342 4.801 4.460 -0.001 0.000 0.268 125 C C 1.153 175.984 174.990 -0.265 0.000 1.395 125 C CA -1.422 57.272 59.018 -0.539 0.000 1.757 125 C CB -1.457 25.849 27.740 -0.724 0.000 1.851 125 C HN 0.339 nan 8.230 nan 0.000 0.545 126 F N 2.969 122.764 119.950 -0.259 0.000 2.607 126 F HA 0.118 4.645 4.527 -0.001 0.000 0.374 126 F C 0.538 176.264 175.800 -0.123 0.000 1.104 126 F CA 0.517 58.418 58.000 -0.166 0.000 1.296 126 F CB 0.274 39.180 39.000 -0.157 0.000 1.085 126 F HN 0.157 nan 8.300 nan 0.000 0.584 127 N N 6.769 125.176 118.700 -0.489 0.000 2.511 127 N HA 0.136 4.876 4.740 -0.001 0.000 0.249 127 N C 0.394 175.863 175.510 -0.068 0.000 0.971 127 N CA -0.625 52.298 53.050 -0.212 0.000 0.938 127 N CB 0.380 38.722 38.487 -0.242 0.000 1.131 127 N HN 0.639 nan 8.380 nan 0.000 0.505 128 I N -0.574 120.064 120.570 0.114 0.000 3.605 128 I HA 0.163 4.332 4.170 -0.001 0.000 0.301 128 I C -0.434 175.686 176.117 0.004 0.000 1.267 128 I CA 0.262 61.640 61.300 0.129 0.000 1.236 128 I CB -0.349 37.669 38.000 0.028 0.000 1.010 128 I HN 0.367 nan 8.210 nan 0.000 0.491 129 E N 0.886 121.061 120.200 -0.042 0.000 2.442 129 E HA -0.169 4.181 4.350 -0.001 0.000 0.256 129 E C -0.183 176.374 176.600 -0.071 0.000 1.095 129 E CA 0.426 56.793 56.400 -0.055 0.000 0.747 129 E CB -2.151 27.529 29.700 -0.033 0.000 1.310 129 E HN 0.634 nan 8.360 nan 0.000 0.396 130 L N -0.330 120.826 121.223 -0.113 0.000 2.472 130 L HA 0.076 4.416 4.340 -0.001 0.000 0.260 130 L C -0.732 176.093 176.870 -0.074 0.000 1.209 130 L CA -1.525 53.235 54.840 -0.132 0.000 0.817 130 L CB -0.064 41.841 42.059 -0.257 0.000 1.106 130 L HN -0.168 nan 8.230 nan 0.000 0.479 131 P HA -0.198 nan 4.420 nan 0.000 0.217 131 P C 1.361 178.653 177.300 -0.014 0.000 1.151 131 P CA 1.511 64.602 63.100 -0.016 0.000 0.849 131 P CB 0.140 31.842 31.700 0.003 0.000 0.787 132 S N -2.312 113.375 115.700 -0.022 0.000 2.562 132 S HA -0.053 4.417 4.470 -0.001 0.000 0.221 132 S C 0.860 175.451 174.600 -0.015 0.000 0.975 132 S CA 0.151 58.346 58.200 -0.007 0.000 0.918 132 S CB -0.775 62.427 63.200 0.003 0.000 0.772 132 S HN 0.064 nan 8.310 nan 0.000 0.531 133 Q N 0.014 119.791 119.800 -0.039 0.000 2.481 133 Q HA -0.158 4.182 4.340 -0.001 0.000 0.272 133 Q C -0.834 175.153 176.000 -0.021 0.000 1.157 133 Q CA 1.073 56.854 55.803 -0.037 0.000 0.935 133 Q CB -2.110 26.616 28.738 -0.020 0.000 1.338 133 Q HN 0.733 nan 8.270 nan 0.000 0.494 134 K N 1.044 121.421 120.400 -0.038 0.000 2.205 134 K HA 0.370 4.690 4.320 -0.001 0.000 0.279 134 K C 0.756 177.342 176.600 -0.022 0.000 1.027 134 K CA 0.102 56.382 56.287 -0.012 0.000 0.932 134 K CB 0.819 33.303 32.500 -0.026 0.000 1.032 134 K HN 0.272 nan 8.250 nan 0.000 0.466 135 S N 2.189 117.916 115.700 0.046 0.000 2.608 135 S HA 0.122 4.591 4.470 -0.001 0.000 0.261 135 S C 1.441 176.038 174.600 -0.005 0.000 1.314 135 S CA -0.695 57.532 58.200 0.045 0.000 0.992 135 S CB 0.440 63.753 63.200 0.189 0.000 0.935 135 S HN 0.550 nan 8.310 nan 0.000 0.564 136 L N -0.416 120.784 121.223 -0.038 0.000 2.042 136 L HA -0.108 4.231 4.340 -0.001 0.000 0.210 136 L C 2.349 179.255 176.870 0.061 0.000 1.076 136 L CA 1.508 56.330 54.840 -0.031 0.000 0.749 136 L CB -0.745 41.247 42.059 -0.111 0.000 0.893 136 L HN 0.575 nan 8.230 nan 0.000 0.432 137 F N 0.445 120.443 119.950 0.080 0.000 2.095 137 F HA -0.302 4.225 4.527 -0.001 0.000 0.298 137 F C 2.856 178.532 175.800 -0.207 0.000 1.104 137 F CA 1.887 59.950 58.000 0.104 0.000 1.232 137 F CB -0.893 38.131 39.000 0.041 0.000 0.987 137 F HN 0.167 nan 8.300 nan 0.000 0.475 138 Q N 0.498 120.030 119.800 -0.446 0.000 2.084 138 Q HA -0.175 4.164 4.340 -0.001 0.000 0.202 138 Q C 2.252 178.133 176.000 -0.199 0.000 0.978 138 Q CA 1.832 57.137 55.803 -0.830 0.000 0.844 138 Q CB -0.314 28.035 28.738 -0.648 0.000 0.898 138 Q HN 0.456 nan 8.270 nan 0.000 0.426 139 I N 0.605 121.145 120.570 -0.050 0.000 2.118 139 I HA -0.367 3.802 4.170 -0.001 0.000 0.241 139 I C 2.509 178.671 176.117 0.075 0.000 1.070 139 I CA 1.798 63.126 61.300 0.048 0.000 1.327 139 I CB -0.351 37.697 38.000 0.080 0.000 1.034 139 I HN 0.383 nan 8.210 nan 0.000 0.405 140 Q N 0.339 120.224 119.800 0.141 0.000 2.124 140 Q HA -0.164 4.176 4.340 -0.001 0.000 0.202 140 Q C 2.406 178.359 176.000 -0.079 0.000 0.977 140 Q CA 1.649 57.527 55.803 0.125 0.000 0.850 140 Q CB -0.272 28.731 28.738 0.443 0.000 0.901 140 Q HN 0.593 nan 8.270 nan 0.000 0.429 141 A N 1.114 123.957 122.820 0.038 0.000 1.933 141 A HA -0.226 4.094 4.320 -0.001 0.000 0.218 141 A C 1.753 179.357 177.584 0.035 0.000 1.175 141 A CA 1.479 53.533 52.037 0.028 0.000 0.628 141 A CB -0.277 18.933 19.000 0.349 0.000 0.814 141 A HN 0.330 nan 8.150 nan 0.000 0.444 142 E N -0.500 119.732 120.200 0.054 0.000 2.158 142 E HA -0.094 4.255 4.350 -0.001 0.000 0.191 142 E C 1.842 178.488 176.600 0.076 0.000 0.982 142 E CA 0.565 57.015 56.400 0.083 0.000 0.823 142 E CB -0.020 29.736 29.700 0.094 0.000 0.766 142 E HN 0.310 nan 8.360 nan 0.000 0.468 143 K N 0.860 121.286 120.400 0.044 0.000 2.057 143 K HA -0.116 4.204 4.320 -0.001 0.000 0.207 143 K C 2.100 178.785 176.600 0.141 0.000 1.049 143 K CA 0.955 57.293 56.287 0.085 0.000 0.931 143 K CB -0.298 32.192 32.500 -0.017 0.000 0.714 143 K HN 0.207 nan 8.250 nan 0.000 0.440 144 I N 0.648 121.206 120.570 -0.020 0.000 2.226 144 I HA -0.285 3.885 4.170 -0.001 0.000 0.245 144 I C 2.295 178.420 176.117 0.013 0.000 1.100 144 I CA 0.596 61.861 61.300 -0.058 0.000 1.374 144 I CB -0.198 37.639 38.000 -0.272 0.000 1.057 144 I HN 0.013 nan 8.210 nan 0.000 0.413 145 L N 1.011 122.257 121.223 0.038 0.000 2.012 145 L HA -0.244 4.095 4.340 -0.001 0.000 0.210 145 L C 2.445 179.355 176.870 0.067 0.000 1.073 145 L CA 1.905 56.784 54.840 0.065 0.000 0.748 145 L CB -0.684 41.430 42.059 0.092 0.000 0.891 145 L HN 0.096 nan 8.230 nan 0.000 0.431 146 K N -0.340 120.119 120.400 0.099 0.000 2.026 146 K HA -0.174 4.146 4.320 -0.001 0.000 0.208 146 K C 2.003 178.628 176.600 0.041 0.000 1.048 146 K CA 1.689 58.040 56.287 0.106 0.000 0.929 146 K CB -0.719 31.898 32.500 0.196 0.000 0.713 146 K HN 0.206 nan 8.250 nan 0.000 0.439 147 I N 1.611 122.189 120.570 0.012 0.000 2.361 147 I HA -0.200 3.969 4.170 -0.001 0.000 0.251 147 I C 1.594 177.660 176.117 -0.085 0.000 1.133 147 I CA 1.500 62.694 61.300 -0.176 0.000 1.413 147 I CB -0.184 37.657 38.000 -0.264 0.000 1.073 147 I HN 0.312 nan 8.210 nan 0.000 0.424 148 E N -0.477 119.711 120.200 -0.020 0.000 2.106 148 E HA -0.261 4.089 4.350 -0.001 0.000 0.192 148 E C 2.144 178.746 176.600 0.005 0.000 0.984 148 E CA 1.207 57.608 56.400 0.001 0.000 0.806 148 E CB -0.108 29.604 29.700 0.020 0.000 0.750 148 E HN 0.630 nan 8.360 nan 0.000 0.458 149 Q N 0.333 120.136 119.800 0.006 0.000 2.083 149 Q HA -0.076 4.264 4.340 -0.001 0.000 0.198 149 Q C 2.343 178.344 176.000 0.003 0.000 0.969 149 Q CA 0.827 56.637 55.803 0.011 0.000 0.838 149 Q CB 0.013 28.762 28.738 0.018 0.000 0.900 149 Q HN 0.270 nan 8.270 nan 0.000 0.436 150 L N 0.265 121.473 121.223 -0.024 0.000 2.042 150 L HA -0.228 4.111 4.340 -0.001 0.000 0.210 150 L C 2.519 179.389 176.870 -0.000 0.000 1.076 150 L CA 1.078 55.896 54.840 -0.036 0.000 0.749 150 L CB -0.673 41.316 42.059 -0.117 0.000 0.893 150 L HN 0.255 nan 8.230 nan 0.000 0.432 151 A N -0.562 122.250 122.820 -0.014 0.000 1.883 151 A HA -0.298 4.021 4.320 -0.001 0.000 0.217 151 A C 2.268 179.904 177.584 0.086 0.000 1.186 151 A CA 1.947 54.008 52.037 0.041 0.000 0.624 151 A CB -0.635 18.375 19.000 0.017 0.000 0.822 151 A HN 0.508 nan 8.150 nan 0.000 0.444 152 Q N -0.864 118.965 119.800 0.048 0.000 2.170 152 Q HA -0.251 4.088 4.340 -0.001 0.000 0.203 152 Q C 2.276 178.297 176.000 0.036 0.000 0.976 152 Q CA 1.738 57.564 55.803 0.039 0.000 0.858 152 Q CB -0.148 28.604 28.738 0.024 0.000 0.907 152 Q HN 0.832 nan 8.270 nan 0.000 0.433 153 Q N -0.690 119.137 119.800 0.045 0.000 2.046 153 Q HA -0.221 4.118 4.340 -0.001 0.000 0.200 153 Q C 1.923 177.958 176.000 0.057 0.000 0.975 153 Q CA 1.502 57.329 55.803 0.039 0.000 0.836 153 Q CB -0.271 28.490 28.738 0.039 0.000 0.896 153 Q HN 0.520 nan 8.270 nan 0.000 0.428 154 Y N 0.909 121.194 120.300 -0.024 0.000 2.128 154 Y HA -0.197 4.352 4.550 -0.001 0.000 0.284 154 Y C 1.621 177.512 175.900 -0.015 0.000 1.154 154 Y CA 1.685 59.772 58.100 -0.022 0.000 1.149 154 Y CB -0.190 38.253 38.460 -0.028 0.000 0.976 154 Y HN 0.117 nan 8.280 nan 0.000 0.505 155 L N 0.277 121.430 121.223 -0.117 0.000 2.558 155 L HA 0.011 4.351 4.340 -0.001 0.000 0.225 155 L C 0.726 177.521 176.870 -0.125 0.000 1.128 155 L CA 0.539 55.264 54.840 -0.193 0.000 0.868 155 L CB -0.347 41.695 42.059 -0.028 0.000 1.006 155 L HN 0.122 nan 8.230 nan 0.000 0.454 156 K N 0.242 120.593 120.400 -0.081 0.000 3.071 156 K HA -0.139 4.180 4.320 -0.001 0.000 0.265 156 K C 0.124 176.704 176.600 -0.034 0.000 1.060 156 K CA 0.046 56.301 56.287 -0.054 0.000 0.767 156 K CB -1.705 30.753 32.500 -0.071 0.000 1.241 156 K HN 0.207 nan 8.250 nan 0.000 0.486 157 S N 0.039 115.728 115.700 -0.018 0.000 2.585 157 S HA 0.075 4.545 4.470 -0.001 0.000 0.273 157 S C 1.879 176.477 174.600 -0.003 0.000 1.339 157 S CA 0.006 58.202 58.200 -0.007 0.000 1.028 157 S CB 1.323 64.528 63.200 0.007 0.000 0.906 157 S HN 0.445 nan 8.310 nan 0.000 0.528 158 T N -0.699 113.854 114.554 -0.002 0.000 2.896 158 T HA 0.037 4.386 4.350 -0.001 0.000 0.263 158 T C 0.690 175.392 174.700 0.004 0.000 1.050 158 T CA 0.566 62.666 62.100 -0.001 0.000 1.140 158 T CB -0.047 68.821 68.868 -0.001 0.000 0.877 158 T HN 0.364 nan 8.240 nan 0.000 0.457 159 K N 1.772 122.176 120.400 0.007 0.000 2.316 159 K HA 0.443 4.762 4.320 -0.001 0.000 0.251 159 K C -0.653 175.955 176.600 0.015 0.000 0.934 159 K CA -1.217 55.076 56.287 0.010 0.000 0.802 159 K CB 1.480 33.986 32.500 0.010 0.000 1.171 159 K HN 0.696 nan 8.250 nan 0.000 0.426 160 K N 3.805 124.215 120.400 0.017 0.000 2.326 160 K HA 0.327 4.647 4.320 -0.001 0.000 0.275 160 K C -1.996 174.619 176.600 0.025 0.000 1.018 160 K CA -1.177 55.123 56.287 0.021 0.000 0.962 160 K CB 0.589 33.102 32.500 0.022 0.000 0.953 160 K HN 0.394 nan 8.250 nan 0.000 0.475 161 P HA 0.078 nan 4.420 nan 0.000 0.272 161 P C -0.527 176.795 177.300 0.036 0.000 1.223 161 P CA -0.315 62.806 63.100 0.036 0.000 0.784 161 P CB 0.514 32.240 31.700 0.043 0.000 0.923 162 I N 3.385 123.978 120.570 0.040 0.000 2.371 162 I HA 0.299 4.469 4.170 -0.001 0.000 0.282 162 I C 0.722 176.869 176.117 0.050 0.000 1.031 162 I CA -0.952 60.372 61.300 0.040 0.000 1.180 162 I CB 0.261 38.280 38.000 0.032 0.000 1.336 162 I HN 0.262 nan 8.210 nan 0.000 0.467 163 I N 6.265 126.867 120.570 0.054 0.000 2.421 163 I HA 0.066 4.236 4.170 -0.001 0.000 0.291 163 I C 0.791 176.952 176.117 0.075 0.000 1.089 163 I CA -0.190 61.153 61.300 0.073 0.000 1.354 163 I CB 0.063 38.102 38.000 0.065 0.000 1.413 163 I HN 0.422 nan 8.210 nan 0.000 0.513 164 N N 6.012 124.751 118.700 0.065 0.000 2.483 164 N HA -0.039 4.701 4.740 -0.001 0.000 0.264 164 N C -0.892 174.634 175.510 0.027 0.000 1.197 164 N CA 0.144 53.158 53.050 -0.060 0.000 0.927 164 N CB 0.975 39.366 38.487 -0.160 0.000 1.065 164 N HN 0.515 nan 8.380 nan 0.000 0.461 165 W N 5.189 126.329 121.300 -0.266 0.000 2.338 165 W HA 0.313 4.973 4.660 -0.001 0.000 0.315 165 W C -1.352 175.009 176.519 -0.264 0.000 1.005 165 W CA -1.313 55.966 57.345 -0.109 0.000 1.380 165 W CB -0.321 29.136 29.460 -0.006 0.000 1.235 165 W HN 0.369 nan 8.180 nan 0.000 0.409 166 Y N 6.367 126.791 120.300 0.207 0.000 2.365 166 Y HA 0.377 4.926 4.550 -0.001 0.000 0.340 166 Y C 0.560 176.492 175.900 0.054 0.000 1.016 166 Y CA -0.321 57.819 58.100 0.067 0.000 1.196 166 Y CB 0.674 39.173 38.460 0.065 0.000 1.167 166 Y HN 0.070 nan 8.280 nan 0.000 0.509 167 I N 5.271 125.826 120.570 -0.025 0.000 2.354 167 I HA 0.262 4.432 4.170 -0.001 0.000 0.286 167 I C -0.318 175.754 176.117 -0.074 0.000 1.007 167 I CA -0.598 60.609 61.300 -0.155 0.000 1.167 167 I CB 1.201 38.877 38.000 -0.540 0.000 1.320 167 I HN 0.573 nan 8.210 nan 0.000 0.458 168 M N 7.872 127.345 119.600 -0.211 0.000 2.108 168 M HA 0.273 4.753 4.480 -0.001 0.000 0.347 168 M C -0.010 176.076 176.300 -0.356 0.000 1.326 168 M CA 0.037 54.884 55.300 -0.755 0.000 1.126 168 M CB 0.435 32.582 32.600 -0.756 0.000 1.606 168 M HN 0.721 nan 8.290 nan 0.000 0.462 169 T N 1.599 115.969 114.554 -0.305 0.000 2.922 169 T HA 0.794 5.143 4.350 -0.001 0.000 0.281 169 T C -0.017 174.594 174.700 -0.149 0.000 1.005 169 T CA -0.726 61.297 62.100 -0.130 0.000 0.982 169 T CB 1.542 70.376 68.868 -0.056 0.000 1.158 169 T HN 0.705 nan 8.240 nan 0.000 0.566 170 S N -1.156 114.496 115.700 -0.080 0.000 2.677 170 S HA 0.667 5.136 4.470 -0.001 0.000 0.304 170 S C 1.571 176.145 174.600 -0.043 0.000 1.108 170 S CA -0.410 57.751 58.200 -0.064 0.000 0.944 170 S CB 1.004 64.178 63.200 -0.043 0.000 1.127 170 S HN 1.100 nan 8.310 nan 0.000 0.511 171 G N 1.642 110.424 108.800 -0.030 0.000 2.574 171 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.220 171 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.220 171 G C -0.495 174.393 174.900 -0.021 0.000 1.173 171 G CA 1.250 46.337 45.100 -0.020 0.000 0.772 171 G HN 0.723 nan 8.290 nan 0.000 0.585 172 P HA -0.021 nan 4.420 nan 0.000 0.230 172 P C 1.472 178.765 177.300 -0.011 0.000 1.158 172 P CA 1.977 65.070 63.100 -0.012 0.000 0.769 172 P CB -0.037 31.660 31.700 -0.006 0.000 0.807 173 T N -4.705 109.840 114.554 -0.014 0.000 2.969 173 T HA 0.165 4.515 4.350 -0.001 0.000 0.250 173 T C 1.950 176.633 174.700 -0.028 0.000 1.021 173 T CA -0.168 61.931 62.100 -0.002 0.000 1.003 173 T CB -0.167 68.715 68.868 0.024 0.000 1.040 173 T HN -0.150 nan 8.240 nan 0.000 0.492 174 R N 3.084 123.550 120.500 -0.057 0.000 2.097 174 R HA -0.095 4.245 4.340 -0.001 0.000 0.236 174 R C 2.651 178.860 176.300 -0.152 0.000 1.135 174 R CA 2.796 58.828 56.100 -0.112 0.000 0.934 174 R CB -1.592 28.657 30.300 -0.087 0.000 0.846 174 R HN 0.629 nan 8.270 nan 0.000 0.431 175 N N -0.222 118.421 118.700 -0.096 0.000 2.043 175 N HA -0.166 4.573 4.740 -0.001 0.000 0.193 175 N C 2.061 177.522 175.510 -0.081 0.000 1.037 175 N CA 2.422 55.418 53.050 -0.089 0.000 0.851 175 N CB -1.099 37.357 38.487 -0.051 0.000 1.027 175 N HN 0.547 nan 8.380 nan 0.000 0.422 176 A N -0.434 122.360 122.820 -0.043 0.000 1.972 176 A HA -0.012 4.308 4.320 -0.001 0.000 0.219 176 A C 2.529 180.128 177.584 0.026 0.000 1.169 176 A CA 2.407 54.443 52.037 -0.002 0.000 0.635 176 A CB -0.928 18.077 19.000 0.007 0.000 0.810 176 A HN 0.528 nan 8.150 nan 0.000 0.446 177 T N -0.708 113.834 114.554 -0.020 0.000 2.770 177 T HA -0.104 4.245 4.350 -0.001 0.000 0.263 177 T C 1.873 176.504 174.700 -0.115 0.000 1.039 177 T CA 1.424 63.530 62.100 0.009 0.000 1.142 177 T CB -0.183 68.666 68.868 -0.032 0.000 0.868 177 T HN 0.712 nan 8.240 nan 0.000 0.435 178 E N 0.881 120.786 120.200 -0.492 0.000 2.110 178 E HA -0.122 4.228 4.350 -0.001 0.000 0.193 178 E C 2.276 178.753 176.600 -0.205 0.000 0.988 178 E CA 1.190 57.163 56.400 -0.712 0.000 0.804 178 E CB -0.054 29.162 29.700 -0.807 0.000 0.745 178 E HN 0.311 nan 8.360 nan 0.000 0.458 179 S N 0.149 115.789 115.700 -0.100 0.000 2.356 179 S HA -0.156 4.314 4.470 -0.001 0.000 0.223 179 S C 1.510 176.117 174.600 0.011 0.000 1.032 179 S CA 1.087 59.264 58.200 -0.037 0.000 1.005 179 S CB -0.485 62.711 63.200 -0.007 0.000 0.867 179 S HN 0.375 nan 8.310 nan 0.000 0.449 180 F N 1.566 121.482 119.950 -0.057 0.000 2.091 180 F HA -0.149 4.377 4.527 -0.001 0.000 0.299 180 F C 1.748 177.448 175.800 -0.166 0.000 1.103 180 F CA 1.284 59.255 58.000 -0.050 0.000 1.228 180 F CB -0.502 38.530 39.000 0.053 0.000 0.984 180 F HN 0.130 nan 8.300 nan 0.000 0.477 181 F N 0.150 120.012 119.950 -0.147 0.000 2.186 181 F HA -0.160 4.366 4.527 -0.001 0.000 0.299 181 F C 2.336 177.637 175.800 -0.833 0.000 1.090 181 F CA 1.463 59.212 58.000 -0.419 0.000 1.307 181 F CB -0.651 38.274 39.000 -0.126 0.000 1.019 181 F HN -0.068 nan 8.300 nan 0.000 0.489 182 I N -0.723 119.574 120.570 -0.455 0.000 2.353 182 I HA -0.188 3.981 4.170 -0.001 0.000 0.248 182 I C 2.389 178.291 176.117 -0.358 0.000 1.119 182 I CA 1.029 62.043 61.300 -0.477 0.000 1.417 182 I CB -0.429 37.449 38.000 -0.203 0.000 1.078 182 I HN 0.106 nan 8.210 nan 0.000 0.421 183 E N 1.040 121.047 120.200 -0.322 0.000 2.268 183 E HA -0.151 4.198 4.350 -0.001 0.000 0.195 183 E C 0.995 177.358 176.600 -0.396 0.000 0.995 183 E CA 0.796 57.026 56.400 -0.284 0.000 0.836 183 E CB 0.035 29.603 29.700 -0.221 0.000 0.763 183 E HN 0.486 nan 8.360 nan 0.000 0.491 184 N N 0.874 119.192 118.700 -0.637 0.000 2.214 184 N HA -0.025 4.714 4.740 -0.001 0.000 0.214 184 N C -0.169 174.943 175.510 -0.663 0.000 1.132 184 N CA -0.022 52.566 53.050 -0.771 0.000 0.856 184 N CB 0.109 37.773 38.487 -1.373 0.000 1.020 184 N HN 0.245 nan 8.380 nan 0.000 0.509 185 N N 0.867 119.292 118.700 -0.458 0.000 2.735 185 N HA -0.280 4.459 4.740 -0.001 0.000 0.248 185 N C -0.909 174.569 175.510 -0.054 0.000 1.083 185 N CA 0.210 53.142 53.050 -0.196 0.000 0.703 185 N CB -1.060 37.373 38.487 -0.090 0.000 1.005 185 N HN 0.275 nan 8.380 nan 0.000 0.550 186 Y N -2.408 117.769 120.300 -0.205 0.000 4.324 186 Y HA -0.326 4.223 4.550 -0.001 0.000 0.224 186 Y C 0.697 176.707 175.900 0.184 0.000 1.113 186 Y CA 1.477 59.631 58.100 0.090 0.000 1.887 186 Y CB -2.737 35.858 38.460 0.226 0.000 1.602 186 Y HN 0.416 nan 8.280 nan 0.000 0.654 187 F N -1.522 118.522 119.950 0.156 0.000 3.079 187 F HA -0.196 4.331 4.527 -0.001 0.000 0.274 187 F C 1.548 177.442 175.800 0.157 0.000 0.940 187 F CA 1.700 59.772 58.000 0.120 0.000 0.932 187 F CB -1.465 37.616 39.000 0.135 0.000 0.891 187 F HN 0.582 nan 8.300 nan 0.000 0.722 188 G N -1.348 107.596 108.800 0.239 0.000 2.217 188 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.246 188 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.246 188 G C 0.351 175.367 174.900 0.193 0.000 0.990 188 G CA 0.028 45.241 45.100 0.189 0.000 0.627 188 G HN 0.499 nan 8.290 nan 0.000 0.522 189 L N 0.681 122.071 121.223 0.279 0.000 2.475 189 L HA 0.529 4.869 4.340 -0.001 0.000 0.253 189 L C 1.314 178.259 176.870 0.124 0.000 1.198 189 L CA -0.009 54.968 54.840 0.229 0.000 0.814 189 L CB 0.145 42.419 42.059 0.358 0.000 1.134 189 L HN 0.446 nan 8.230 nan 0.000 0.478 190 N N -0.833 117.885 118.700 0.030 0.000 2.488 190 N HA 0.197 4.937 4.740 -0.001 0.000 0.274 190 N C 1.007 176.368 175.510 -0.248 0.000 1.111 190 N CA 0.067 53.061 53.050 -0.093 0.000 0.974 190 N CB 0.952 39.385 38.487 -0.089 0.000 1.089 190 N HN 0.760 nan 8.380 nan 0.000 0.465 191 S N 0.028 115.459 115.700 -0.449 0.000 2.402 191 S HA -0.259 4.211 4.470 -0.001 0.000 0.233 191 S C 1.165 175.517 174.600 -0.414 0.000 1.030 191 S CA 1.820 59.480 58.200 -0.900 0.000 1.003 191 S CB -0.761 62.084 63.200 -0.593 0.000 0.813 191 S HN 0.837 nan 8.310 nan 0.000 0.477 192 H N 1.639 120.541 119.070 -0.281 0.000 2.546 192 H HA 0.050 4.606 4.556 -0.001 0.000 0.277 192 H C 2.333 177.549 175.328 -0.185 0.000 1.004 192 H CA 0.955 56.891 56.048 -0.188 0.000 1.231 192 H CB 0.001 29.697 29.762 -0.109 0.000 1.382 192 H HN 0.786 nan 8.280 nan 0.000 0.580 193 Q N 0.766 120.525 119.800 -0.067 0.000 2.392 193 Q HA 0.079 4.418 4.340 -0.001 0.000 0.203 193 Q C -0.112 175.819 176.000 -0.116 0.000 0.917 193 Q CA 0.159 55.918 55.803 -0.073 0.000 0.939 193 Q CB 0.659 29.400 28.738 0.005 0.000 1.063 193 Q HN 0.082 nan 8.270 nan 0.000 0.516 194 V N 2.718 122.517 119.914 -0.191 0.000 2.318 194 V HA 0.362 4.482 4.120 -0.001 0.000 0.271 194 V C -0.332 175.396 176.094 -0.610 0.000 1.030 194 V CA -0.416 61.665 62.300 -0.365 0.000 0.844 194 V CB 0.817 32.472 31.823 -0.281 0.000 1.015 194 V HN 0.249 nan 8.190 nan 0.000 0.460 195 I N 5.582 125.772 120.570 -0.632 0.000 2.354 195 I HA 0.443 4.613 4.170 -0.001 0.000 0.286 195 I C -0.475 175.419 176.117 -0.373 0.000 1.007 195 I CA -0.214 60.819 61.300 -0.444 0.000 1.167 195 I CB 1.139 38.959 38.000 -0.300 0.000 1.320 195 I HN 0.380 nan 8.210 nan 0.000 0.458 196 F N 7.031 126.986 119.950 0.007 0.000 2.384 196 F HA 0.547 5.074 4.527 -0.001 0.000 0.338 196 F C 0.028 175.965 175.800 0.228 0.000 1.103 196 F CA -0.524 57.500 58.000 0.040 0.000 1.157 196 F CB 0.922 39.881 39.000 -0.068 0.000 1.167 196 F HN 0.311 nan 8.300 nan 0.000 0.529 197 F N -0.068 119.972 119.950 0.149 0.000 2.635 197 F HA 0.467 4.994 4.527 -0.001 0.000 0.314 197 F C -1.690 174.154 175.800 0.073 0.000 1.119 197 F CA -1.253 56.804 58.000 0.095 0.000 1.000 197 F CB 0.873 39.917 39.000 0.074 0.000 1.278 197 F HN 0.402 nan 8.300 nan 0.000 0.446 198 N N 3.424 122.110 118.700 -0.024 0.000 2.479 198 N HA 0.292 5.031 4.740 -0.001 0.000 0.285 198 N C -1.008 174.440 175.510 -0.104 0.000 1.075 198 N CA -0.944 52.035 53.050 -0.118 0.000 0.967 198 N CB 1.395 39.870 38.487 -0.020 0.000 1.137 198 N HN 0.775 nan 8.380 nan 0.000 0.472 199 Q N 0.752 120.457 119.800 -0.158 0.000 2.256 199 Q HA 0.493 4.833 4.340 -0.001 0.000 0.232 199 Q C 0.337 176.328 176.000 -0.014 0.000 0.965 199 Q CA -1.082 54.678 55.803 -0.071 0.000 0.908 199 Q CB 0.809 29.487 28.738 -0.100 0.000 1.209 199 Q HN 0.516 nan 8.270 nan 0.000 0.489 200 G N 0.070 108.882 108.800 0.020 0.000 2.535 200 G HA2 0.491 4.451 3.960 -0.001 0.000 0.282 200 G HA3 0.491 4.451 3.960 -0.001 0.000 0.282 200 G C -0.495 174.413 174.900 0.013 0.000 1.350 200 G CA 0.067 45.183 45.100 0.028 0.000 1.039 200 G HN 0.857 nan 8.290 nan 0.000 0.509 201 T N -3.131 111.434 114.554 0.017 0.000 2.831 201 T HA 0.742 5.092 4.350 -0.001 0.000 0.287 201 T C -0.729 173.972 174.700 0.003 0.000 1.070 201 T CA -0.864 61.239 62.100 0.004 0.000 1.010 201 T CB 1.648 70.521 68.868 0.008 0.000 1.264 201 T HN 0.395 nan 8.240 nan 0.000 0.532 202 L N 0.677 121.892 121.223 -0.014 0.000 2.445 202 L HA 0.547 4.887 4.340 -0.001 0.000 0.262 202 L C -2.748 174.134 176.870 0.021 0.000 0.974 202 L CA -2.625 52.208 54.840 -0.012 0.000 0.822 202 L CB 2.945 44.923 42.059 -0.135 0.000 1.339 202 L HN 0.499 nan 8.230 nan 0.000 0.409 203 P HA 0.066 nan 4.420 nan 0.000 0.269 203 P C -0.964 176.317 177.300 -0.030 0.000 1.215 203 P CA -0.424 62.636 63.100 -0.065 0.000 0.780 203 P CB 0.443 32.007 31.700 -0.226 0.000 0.898 204 C N 2.585 121.832 119.300 -0.089 0.000 2.463 204 C HA 0.534 4.994 4.460 -0.001 0.000 0.380 204 C C 0.229 175.156 174.990 -0.105 0.000 1.264 204 C CA 0.017 59.053 59.018 0.030 0.000 2.161 204 C CB -1.051 26.698 27.740 0.015 0.000 2.515 204 C HN 0.435 nan 8.230 nan 0.000 0.565 205 F N 1.650 121.610 119.950 0.017 0.000 2.639 205 F HA 0.451 4.978 4.527 -0.001 0.000 0.339 205 F C 0.633 176.451 175.800 0.031 0.000 1.071 205 F CA -0.855 57.164 58.000 0.031 0.000 0.994 205 F CB 0.745 39.765 39.000 0.033 0.000 1.341 205 F HN 0.579 nan 8.300 nan 0.000 0.498 206 N N 0.470 119.317 118.700 0.244 0.000 2.347 206 N HA 0.107 4.847 4.740 -0.001 0.000 0.253 206 N C 0.705 176.298 175.510 0.138 0.000 1.274 206 N CA -0.322 52.818 53.050 0.150 0.000 0.941 206 N CB 0.171 38.731 38.487 0.122 0.000 1.200 206 N HN 0.662 nan 8.380 nan 0.000 0.514 207 L N -1.276 120.002 121.223 0.093 0.000 2.081 207 L HA -0.204 4.136 4.340 -0.001 0.000 0.212 207 L C 2.442 179.347 176.870 0.059 0.000 1.080 207 L CA 1.571 56.452 54.840 0.068 0.000 0.754 207 L CB -0.439 41.651 42.059 0.052 0.000 0.893 207 L HN 0.702 nan 8.230 nan 0.000 0.433 208 Q N 0.234 120.074 119.800 0.066 0.000 2.451 208 Q HA -0.012 4.328 4.340 -0.001 0.000 0.206 208 Q C 1.222 177.251 176.000 0.047 0.000 0.947 208 Q CA 0.579 56.412 55.803 0.050 0.000 0.937 208 Q CB 0.228 28.997 28.738 0.052 0.000 1.025 208 Q HN 0.492 nan 8.270 nan 0.000 0.511 209 G N 1.816 110.666 108.800 0.082 0.000 2.249 209 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.273 209 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.273 209 G C 0.239 175.188 174.900 0.082 0.000 1.036 209 G CA 0.644 45.770 45.100 0.044 0.000 0.824 209 G HN 0.658 nan 8.290 nan 0.000 0.504 210 N N -1.547 117.270 118.700 0.195 0.000 2.210 210 N HA 0.167 4.907 4.740 -0.001 0.000 0.203 210 N C 0.332 176.011 175.510 0.281 0.000 1.175 210 N CA 0.168 53.337 53.050 0.199 0.000 0.894 210 N CB 0.593 39.147 38.487 0.112 0.000 1.041 210 N HN 0.224 nan 8.380 nan 0.000 0.506 211 K N 1.109 121.687 120.400 0.295 0.000 2.376 211 K HA 0.489 4.808 4.320 -0.001 0.000 0.257 211 K C -0.564 176.064 176.600 0.047 0.000 0.939 211 K CA -0.459 55.933 56.287 0.174 0.000 0.809 211 K CB 2.244 34.809 32.500 0.108 0.000 1.121 211 K HN 0.041 nan 8.250 nan 0.000 0.425 212 I N 4.212 124.680 120.570 -0.171 0.000 2.648 212 I HA 0.058 4.228 4.170 -0.001 0.000 0.284 212 I C 0.094 176.097 176.117 -0.190 0.000 1.153 212 I CA -0.199 60.819 61.300 -0.470 0.000 1.426 212 I CB 0.391 38.148 38.000 -0.406 0.000 1.381 212 I HN 0.296 nan 8.210 nan 0.000 0.571 213 L N 6.847 127.972 121.223 -0.163 0.000 2.350 213 L HA 0.375 4.714 4.340 -0.001 0.000 0.275 213 L C -0.216 176.640 176.870 -0.024 0.000 1.099 213 L CA -0.558 54.257 54.840 -0.043 0.000 0.808 213 L CB 0.796 42.854 42.059 -0.002 0.000 1.149 213 L HN 0.418 nan 8.230 nan 0.000 0.442 214 L N 2.515 123.750 121.223 0.020 0.000 2.326 214 L HA 0.173 4.513 4.340 -0.001 0.000 0.278 214 L C 1.126 178.025 176.870 0.048 0.000 1.092 214 L CA 0.140 54.995 54.840 0.024 0.000 0.810 214 L CB 1.562 43.641 42.059 0.033 0.000 1.153 214 L HN 0.720 nan 8.230 nan 0.000 0.439 215 E N 2.852 123.075 120.200 0.038 0.000 2.057 215 E HA 0.149 4.499 4.350 -0.001 0.000 0.190 215 E C 0.030 176.692 176.600 0.102 0.000 0.969 215 E CA 0.529 56.994 56.400 0.107 0.000 0.812 215 E CB 0.494 30.235 29.700 0.068 0.000 0.777 215 E HN 0.459 nan 8.360 nan 0.000 0.455 216 L N -0.182 121.006 121.223 -0.058 0.000 2.256 216 L HA 0.343 4.683 4.340 -0.001 0.000 0.261 216 L C 0.889 177.600 176.870 -0.265 0.000 1.022 216 L CA -0.801 53.941 54.840 -0.165 0.000 0.828 216 L CB 1.271 43.198 42.059 -0.220 0.000 1.374 216 L HN -0.155 nan 8.230 nan 0.000 0.436 217 K N 0.834 121.027 120.400 -0.345 0.000 2.281 217 K HA -0.121 4.198 4.320 -0.001 0.000 0.203 217 K C 0.611 176.921 176.600 -0.484 0.000 1.046 217 K CA 1.296 57.337 56.287 -0.411 0.000 0.938 217 K CB -0.104 32.130 32.500 -0.443 0.000 0.737 217 K HN 0.560 nan 8.250 nan 0.000 0.458 218 N N -0.593 117.740 118.700 -0.611 0.000 2.433 218 N HA 0.021 4.761 4.740 -0.001 0.000 0.270 218 N C -1.223 173.659 175.510 -1.048 0.000 1.354 218 N CA -0.196 52.213 53.050 -1.069 0.000 0.889 218 N CB 1.146 39.335 38.487 -0.497 0.000 1.285 218 N HN -0.173 nan 8.380 nan 0.000 0.503 219 S N 0.759 116.020 115.700 -0.732 0.000 2.562 219 S HA 0.484 4.953 4.470 -0.001 0.000 0.274 219 S C -0.584 174.025 174.600 0.014 0.000 1.160 219 S CA -0.924 57.186 58.200 -0.151 0.000 0.933 219 S CB 0.563 63.702 63.200 -0.102 0.000 1.100 219 S HN 0.329 nan 8.310 nan 0.000 0.468 220 I N 1.634 122.305 120.570 0.169 0.000 2.612 220 I HA 0.610 4.780 4.170 -0.001 0.000 0.295 220 I C 0.503 176.631 176.117 0.017 0.000 1.011 220 I CA -0.818 60.518 61.300 0.061 0.000 1.326 220 I CB 0.955 38.952 38.000 -0.005 0.000 1.427 220 I HN 0.616 nan 8.210 nan 0.000 0.537 221 C N 5.028 124.325 119.300 -0.006 0.000 2.585 221 C HA 0.387 4.846 4.460 -0.001 0.000 0.406 221 C C 0.123 175.102 174.990 -0.018 0.000 1.312 221 C CA 0.126 59.145 59.018 0.002 0.000 1.924 221 C CB -0.316 27.429 27.740 0.008 0.000 2.578 221 C HN 0.917 nan 8.230 nan 0.000 0.580 222 Q N 2.689 122.489 119.800 -0.001 0.000 2.544 222 Q HA 0.739 5.079 4.340 -0.001 0.000 0.291 222 Q C -0.970 175.033 176.000 0.005 0.000 1.068 222 Q CA -0.535 55.267 55.803 -0.001 0.000 0.785 222 Q CB 2.502 31.242 28.738 0.004 0.000 1.481 222 Q HN 0.878 nan 8.270 nan 0.000 0.430 223 S N -0.982 114.720 115.700 0.003 0.000 2.552 223 S HA 0.556 5.026 4.470 -0.001 0.000 0.272 223 S C -3.067 171.530 174.600 -0.006 0.000 1.150 223 S CA -1.427 56.774 58.200 0.002 0.000 0.849 223 S CB 1.408 64.612 63.200 0.007 0.000 1.113 223 S HN 0.241 nan 8.310 nan 0.000 0.458 224 P HA 0.064 nan 4.420 nan 0.000 0.263 224 P C -0.033 177.257 177.300 -0.015 0.000 1.175 224 P CA 0.352 63.445 63.100 -0.011 0.000 0.761 224 P CB 0.181 31.874 31.700 -0.012 0.000 0.794 225 D N 2.383 122.771 120.400 -0.019 0.000 2.395 225 D HA 0.183 4.822 4.640 -0.001 0.000 0.250 225 D C 0.781 177.075 176.300 -0.010 0.000 1.203 225 D CA -0.088 53.890 54.000 -0.035 0.000 0.872 225 D CB -0.961 39.823 40.800 -0.027 0.000 0.941 225 D HN 0.542 nan 8.370 nan 0.000 0.504 226 G N 1.348 110.156 108.800 0.014 0.000 2.716 226 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.686 226 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.686 226 G C 0.511 175.432 174.900 0.035 0.000 1.337 226 G CA -0.281 44.854 45.100 0.058 0.000 0.829 226 G HN 0.352 nan 8.290 nan 0.000 0.599 227 N N 0.016 118.733 118.700 0.029 0.000 2.519 227 N HA 0.047 4.787 4.740 -0.001 0.000 0.186 227 N C 2.103 177.586 175.510 -0.044 0.000 1.062 227 N CA 2.260 55.298 53.050 -0.018 0.000 0.910 227 N CB -0.302 38.174 38.487 -0.018 0.000 0.958 227 N HN 1.258 nan 8.380 nan 0.000 0.445 228 G N -0.137 108.671 108.800 0.014 0.000 2.484 228 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.218 228 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.218 228 G C 1.408 176.347 174.900 0.065 0.000 1.130 228 G CA 0.410 45.538 45.100 0.048 0.000 0.784 228 G HN 0.482 nan 8.290 nan 0.000 0.543 229 G N 0.640 109.466 108.800 0.044 0.000 2.625 229 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.214 229 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.214 229 G C 1.573 176.489 174.900 0.026 0.000 1.132 229 G CA 0.468 45.607 45.100 0.066 0.000 0.782 229 G HN 0.450 nan 8.290 nan 0.000 0.538 230 L N -0.802 120.359 121.223 -0.103 0.000 2.081 230 L HA -0.166 4.173 4.340 -0.001 0.000 0.212 230 L C 2.546 179.357 176.870 -0.099 0.000 1.080 230 L CA 1.525 56.284 54.840 -0.135 0.000 0.754 230 L CB -0.211 41.678 42.059 -0.283 0.000 0.893 230 L HN 0.386 nan 8.230 nan 0.000 0.433 231 Y N -0.015 120.358 120.300 0.122 0.000 2.181 231 Y HA -0.297 4.252 4.550 -0.001 0.000 0.288 231 Y C 2.746 178.713 175.900 0.112 0.000 1.146 231 Y CA 1.845 60.023 58.100 0.130 0.000 1.164 231 Y CB -0.376 38.211 38.460 0.211 0.000 0.982 231 Y HN 0.163 nan 8.280 nan 0.000 0.515 232 K N 0.655 121.207 120.400 0.254 0.000 2.097 232 K HA -0.117 4.202 4.320 -0.001 0.000 0.205 232 K C 2.267 178.956 176.600 0.149 0.000 1.050 232 K CA 0.989 57.383 56.287 0.179 0.000 0.938 232 K CB -0.281 32.318 32.500 0.165 0.000 0.718 232 K HN 0.253 nan 8.250 nan 0.000 0.442 233 A N 1.068 123.993 122.820 0.175 0.000 1.972 233 A HA -0.120 4.200 4.320 -0.001 0.000 0.219 233 A C 1.959 179.691 177.584 0.247 0.000 1.169 233 A CA 0.989 53.177 52.037 0.253 0.000 0.635 233 A CB -0.422 18.767 19.000 0.314 0.000 0.810 233 A HN 0.285 nan 8.150 nan 0.000 0.446 234 L N -0.369 120.935 121.223 0.136 0.000 2.027 234 L HA -0.100 4.239 4.340 -0.001 0.000 0.206 234 L C 2.365 179.179 176.870 -0.094 0.000 1.074 234 L CA 2.389 57.169 54.840 -0.101 0.000 0.745 234 L CB -0.727 41.279 42.059 -0.088 0.000 0.898 234 L HN 0.415 nan 8.230 nan 0.000 0.433 235 K N -0.103 120.292 120.400 -0.008 0.000 1.985 235 K HA -0.158 4.161 4.320 -0.001 0.000 0.210 235 K C 1.729 178.325 176.600 -0.006 0.000 1.047 235 K CA 1.821 58.099 56.287 -0.015 0.000 0.932 235 K CB -0.389 32.120 32.500 0.015 0.000 0.716 235 K HN 0.234 nan 8.250 nan 0.000 0.439 236 D N 0.260 120.680 120.400 0.034 0.000 2.178 236 D HA -0.118 4.522 4.640 -0.001 0.000 0.201 236 D C 0.747 177.073 176.300 0.044 0.000 0.980 236 D CA 0.938 54.964 54.000 0.044 0.000 0.842 236 D CB -0.229 40.613 40.800 0.071 0.000 0.948 236 D HN 0.304 nan 8.370 nan 0.000 0.472 237 N N 0.065 118.795 118.700 0.049 0.000 2.322 237 N HA 0.103 4.842 4.740 -0.001 0.000 0.216 237 N C 0.981 176.475 175.510 -0.027 0.000 1.144 237 N CA 0.453 53.535 53.050 0.054 0.000 0.830 237 N CB 1.022 39.610 38.487 0.168 0.000 1.034 237 N HN 0.146 nan 8.380 nan 0.000 0.484 238 G N 1.394 110.165 108.800 -0.048 0.000 2.180 238 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.263 238 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.263 238 G C 1.062 175.883 174.900 -0.132 0.000 0.989 238 G CA 0.138 45.197 45.100 -0.069 0.000 0.692 238 G HN 0.307 nan 8.290 nan 0.000 0.526 239 I N -0.323 120.100 120.570 -0.246 0.000 2.202 239 I HA -0.062 4.107 4.170 -0.001 0.000 0.242 239 I C 2.719 178.619 176.117 -0.361 0.000 1.091 239 I CA 1.553 62.607 61.300 -0.409 0.000 1.368 239 I CB -1.273 36.249 38.000 -0.796 0.000 1.058 239 I HN 0.318 nan 8.210 nan 0.000 0.410 240 L N 1.418 122.474 121.223 -0.278 0.000 2.129 240 L HA -0.228 4.111 4.340 -0.001 0.000 0.212 240 L C 1.913 178.691 176.870 -0.153 0.000 1.087 240 L CA 1.964 56.679 54.840 -0.209 0.000 0.757 240 L CB -0.843 41.129 42.059 -0.145 0.000 0.896 240 L HN 0.182 nan 8.230 nan 0.000 0.434 241 D N -0.790 119.536 120.400 -0.122 0.000 2.144 241 D HA -0.177 4.463 4.640 -0.001 0.000 0.200 241 D C 1.830 178.090 176.300 -0.066 0.000 0.978 241 D CA 1.322 55.274 54.000 -0.080 0.000 0.833 241 D CB -0.198 40.566 40.800 -0.059 0.000 0.961 241 D HN 0.444 nan 8.370 nan 0.000 0.470 242 D N -0.434 119.922 120.400 -0.074 0.000 2.144 242 D HA -0.117 4.522 4.640 -0.001 0.000 0.199 242 D C 1.898 178.195 176.300 -0.005 0.000 0.984 242 D CA 0.408 54.400 54.000 -0.013 0.000 0.834 242 D CB 0.033 40.866 40.800 0.054 0.000 0.955 242 D HN -0.067 nan 8.370 nan 0.000 0.465 243 L N 0.965 122.134 121.223 -0.090 0.000 1.989 243 L HA -0.147 4.193 4.340 -0.001 0.000 0.211 243 L C 2.021 178.871 176.870 -0.034 0.000 1.071 243 L CA 1.533 56.330 54.840 -0.071 0.000 0.749 243 L CB -1.319 40.647 42.059 -0.155 0.000 0.890 243 L HN 0.200 nan 8.230 nan 0.000 0.431 244 N N -0.967 117.702 118.700 -0.051 0.000 2.142 244 N HA -0.113 4.626 4.740 -0.001 0.000 0.186 244 N C 1.887 177.385 175.510 -0.019 0.000 1.023 244 N CA 1.363 54.390 53.050 -0.038 0.000 0.852 244 N CB -0.177 38.281 38.487 -0.047 0.000 0.998 244 N HN 0.250 nan 8.380 nan 0.000 0.424 245 S N 1.222 116.914 115.700 -0.014 0.000 2.370 245 S HA -0.071 4.399 4.470 -0.001 0.000 0.226 245 S C 1.638 176.244 174.600 0.010 0.000 1.033 245 S CA 1.196 59.395 58.200 -0.003 0.000 1.011 245 S CB -0.061 63.139 63.200 0.000 0.000 0.852 245 S HN 0.381 nan 8.310 nan 0.000 0.457 246 K N 0.326 120.740 120.400 0.024 0.000 2.487 246 K HA 0.178 4.498 4.320 -0.001 0.000 0.192 246 K C 1.071 177.690 176.600 0.032 0.000 1.027 246 K CA 0.410 56.719 56.287 0.038 0.000 1.054 246 K CB 0.027 32.568 32.500 0.069 0.000 0.824 246 K HN 0.415 nan 8.250 nan 0.000 0.510 247 G N 2.145 110.954 108.800 0.015 0.000 2.221 247 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.265 247 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.265 247 G C -0.003 174.902 174.900 0.008 0.000 1.041 247 G CA -0.174 44.930 45.100 0.006 0.000 0.807 247 G HN 0.250 nan 8.290 nan 0.000 0.502 248 I N -0.322 120.256 120.570 0.015 0.000 2.496 248 I HA 0.229 4.399 4.170 -0.001 0.000 0.285 248 I C 1.460 177.549 176.117 -0.047 0.000 1.080 248 I CA 0.007 61.320 61.300 0.023 0.000 1.404 248 I CB 1.161 39.203 38.000 0.071 0.000 1.403 248 I HN 0.112 nan 8.210 nan 0.000 0.539 249 K N 4.445 124.767 120.400 -0.129 0.000 2.335 249 K HA 0.199 4.519 4.320 -0.001 0.000 0.195 249 K C -0.103 176.222 176.600 -0.457 0.000 1.058 249 K CA 0.311 56.384 56.287 -0.357 0.000 0.988 249 K CB 0.386 32.527 32.500 -0.599 0.000 0.880 249 K HN 0.542 nan 8.250 nan 0.000 0.513 250 H N 0.492 119.620 119.070 0.096 0.000 2.600 250 H HA 0.342 4.898 4.556 -0.001 0.000 0.357 250 H C -0.809 174.572 175.328 0.088 0.000 1.106 250 H CA -1.234 54.871 56.048 0.095 0.000 1.193 250 H CB 1.854 31.771 29.762 0.259 0.000 1.594 250 H HN -0.010 nan 8.280 nan 0.000 0.526 251 I N -1.068 119.573 120.570 0.118 0.000 2.647 251 I HA 0.327 4.496 4.170 -0.001 0.000 0.295 251 I C -0.730 175.582 176.117 0.324 0.000 1.078 251 I CA -0.566 60.867 61.300 0.220 0.000 1.048 251 I CB 2.430 40.522 38.000 0.153 0.000 1.239 251 I HN 0.622 nan 8.210 nan 0.000 0.421 252 H N 6.727 125.993 119.070 0.328 0.000 2.551 252 H HA 0.602 5.157 4.556 -0.001 0.000 0.321 252 H C -1.479 174.159 175.328 0.518 0.000 1.028 252 H CA -1.029 55.281 56.048 0.436 0.000 1.215 252 H CB 1.174 31.190 29.762 0.424 0.000 1.414 252 H HN 0.675 nan 8.280 nan 0.000 0.480 253 M N 6.116 126.019 119.600 0.504 0.000 2.268 253 M HA 0.237 4.716 4.480 -0.001 0.000 0.344 253 M C -1.336 175.118 176.300 0.256 0.000 1.106 253 M CA -0.838 54.678 55.300 0.360 0.000 1.010 253 M CB 1.449 34.349 32.600 0.500 0.000 1.649 253 M HN 0.599 nan 8.290 nan 0.000 0.443 254 Y N 0.609 120.909 120.300 0.001 0.000 2.655 254 Y HA 0.694 5.244 4.550 -0.001 0.000 0.336 254 Y C -1.160 174.794 175.900 0.090 0.000 1.154 254 Y CA -1.595 56.508 58.100 0.005 0.000 1.055 254 Y CB 0.800 39.220 38.460 -0.067 0.000 1.295 254 Y HN 0.701 nan 8.280 nan 0.000 0.465 255 C N 2.261 121.589 119.300 0.046 0.000 2.388 255 C HA 0.381 4.841 4.460 -0.001 0.000 0.362 255 C C 1.709 176.729 174.990 0.049 0.000 1.266 255 C CA 0.012 59.037 59.018 0.011 0.000 2.028 255 C CB 0.618 28.424 27.740 0.109 0.000 2.440 255 C HN 0.959 nan 8.230 nan 0.000 0.547 256 V N 4.409 124.308 119.914 -0.025 0.000 2.626 256 V HA -0.103 4.016 4.120 -0.001 0.000 0.252 256 V C 1.930 178.047 176.094 0.038 0.000 1.067 256 V CA 2.804 65.122 62.300 0.030 0.000 1.081 256 V CB -0.480 31.319 31.823 -0.040 0.000 0.686 256 V HN 1.054 nan 8.190 nan 0.000 0.468 257 D N -0.514 119.897 120.400 0.018 0.000 2.363 257 D HA -0.075 4.565 4.640 -0.001 0.000 0.220 257 D C 0.915 177.208 176.300 -0.011 0.000 0.994 257 D CA 0.167 54.151 54.000 -0.026 0.000 0.890 257 D CB -0.699 40.065 40.800 -0.060 0.000 0.906 257 D HN 0.482 nan 8.370 nan 0.000 0.530 258 N N 0.650 119.396 118.700 0.077 0.000 2.439 258 N HA 0.001 4.740 4.740 -0.001 0.000 0.243 258 N C 1.047 176.606 175.510 0.081 0.000 1.088 258 N CA -0.450 52.636 53.050 0.060 0.000 0.940 258 N CB 0.628 39.229 38.487 0.189 0.000 1.180 258 N HN 0.321 nan 8.380 nan 0.000 0.505 259 C N 2.742 122.066 119.300 0.041 0.000 2.449 259 C HA 0.116 4.576 4.460 -0.001 0.000 0.283 259 C C 1.572 176.668 174.990 0.176 0.000 1.453 259 C CA -0.095 58.995 59.018 0.119 0.000 1.779 259 C CB -1.383 26.425 27.740 0.113 0.000 1.779 259 C HN 0.717 nan 8.230 nan 0.000 0.546 260 L N 0.502 121.766 121.223 0.070 0.000 2.693 260 L HA 0.265 4.604 4.340 -0.001 0.000 0.235 260 L C 1.159 178.019 176.870 -0.016 0.000 1.127 260 L CA -0.176 54.653 54.840 -0.018 0.000 0.914 260 L CB -0.181 41.836 42.059 -0.069 0.000 1.193 260 L HN 0.178 nan 8.230 nan 0.000 0.502 261 V N 2.298 122.232 119.914 0.035 0.000 2.557 261 V HA -0.083 4.037 4.120 -0.001 0.000 0.301 261 V C 0.624 176.668 176.094 -0.083 0.000 1.026 261 V CA 0.207 62.512 62.300 0.008 0.000 1.137 261 V CB 0.380 32.229 31.823 0.044 0.000 0.917 261 V HN 0.279 nan 8.190 nan 0.000 0.484 262 K N 6.314 126.681 120.400 -0.054 0.000 2.171 262 K HA 0.271 4.590 4.320 -0.001 0.000 0.274 262 K C -0.475 176.178 176.600 0.088 0.000 1.110 262 K CA -0.359 55.898 56.287 -0.049 0.000 0.952 262 K CB 0.727 33.257 32.500 0.049 0.000 1.309 262 K HN 0.624 nan 8.250 nan 0.000 0.414 263 V N 2.303 122.218 119.914 0.002 0.000 2.585 263 V HA 0.002 4.121 4.120 -0.001 0.000 0.296 263 V C 1.062 177.310 176.094 0.257 0.000 1.035 263 V CA 0.544 62.846 62.300 0.003 0.000 1.084 263 V CB 0.585 32.282 31.823 -0.210 0.000 0.953 263 V HN 0.976 nan 8.190 nan 0.000 0.483 264 A N 3.884 126.987 122.820 0.472 0.000 2.826 264 A HA -0.195 4.124 4.320 -0.001 0.000 0.274 264 A C 0.651 178.313 177.584 0.130 0.000 1.443 264 A CA 0.821 53.038 52.037 0.300 0.000 0.833 264 A CB -1.944 17.166 19.000 0.183 0.000 1.023 264 A HN 1.111 nan 8.150 nan 0.000 0.600 265 D N 0.066 120.531 120.400 0.109 0.000 2.661 265 D HA 0.081 4.721 4.640 -0.001 0.000 0.244 265 D C 0.058 176.385 176.300 0.046 0.000 1.196 265 D CA -0.425 53.646 54.000 0.119 0.000 0.881 265 D CB 0.667 41.525 40.800 0.096 0.000 1.141 265 D HN 0.392 nan 8.370 nan 0.000 0.530 266 P HA -0.164 nan 4.420 nan 0.000 0.218 266 P C 1.833 179.136 177.300 0.004 0.000 1.148 266 P CA 0.882 63.947 63.100 -0.058 0.000 0.822 266 P CB 0.265 31.881 31.700 -0.139 0.000 0.784 267 I N -1.659 118.954 120.570 0.073 0.000 2.252 267 I HA -0.220 3.949 4.170 -0.001 0.000 0.245 267 I C 2.488 178.717 176.117 0.187 0.000 1.102 267 I CA 1.164 62.569 61.300 0.174 0.000 1.385 267 I CB -0.669 37.439 38.000 0.181 0.000 1.064 267 I HN -0.157 nan 8.210 nan 0.000 0.414 268 F N 1.670 121.590 119.950 -0.049 0.000 2.146 268 F HA -0.139 4.387 4.527 -0.001 0.000 0.298 268 F C 2.216 177.948 175.800 -0.114 0.000 1.096 268 F CA 1.419 59.375 58.000 -0.073 0.000 1.275 268 F CB -0.420 38.508 39.000 -0.120 0.000 1.008 268 F HN -0.087 nan 8.300 nan 0.000 0.480 269 I N -0.272 120.222 120.570 -0.127 0.000 2.252 269 I HA -0.174 3.996 4.170 -0.001 0.000 0.245 269 I C 2.769 178.627 176.117 -0.432 0.000 1.102 269 I CA 1.357 62.460 61.300 -0.329 0.000 1.385 269 I CB -1.281 36.614 38.000 -0.174 0.000 1.064 269 I HN 0.202 nan 8.210 nan 0.000 0.414 270 G N 0.817 109.452 108.800 -0.275 0.000 2.440 270 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.218 270 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.218 270 G C 1.607 176.102 174.900 -0.675 0.000 1.154 270 G CA 0.681 45.592 45.100 -0.315 0.000 0.767 270 G HN 0.324 nan 8.290 nan 0.000 0.552 271 F N 2.687 122.030 119.950 -1.013 0.000 2.043 271 F HA -0.118 4.409 4.527 -0.001 0.000 0.297 271 F C 2.755 177.958 175.800 -0.994 0.000 1.121 271 F CA 1.664 58.789 58.000 -1.458 0.000 1.199 271 F CB -0.725 37.741 39.000 -0.891 0.000 0.968 271 F HN 0.236 nan 8.300 nan 0.000 0.478 272 A N 0.548 122.774 122.820 -0.990 0.000 1.902 272 A HA -0.131 4.188 4.320 -0.001 0.000 0.217 272 A C 2.400 179.466 177.584 -0.863 0.000 1.181 272 A CA 1.938 53.311 52.037 -1.107 0.000 0.623 272 A CB -1.243 16.719 19.000 -1.730 0.000 0.818 272 A HN 0.541 nan 8.150 nan 0.000 0.443 273 I N -0.351 119.803 120.570 -0.693 0.000 2.202 273 I HA -0.261 3.909 4.170 -0.001 0.000 0.242 273 I C 2.969 178.834 176.117 -0.419 0.000 1.091 273 I CA 1.039 62.075 61.300 -0.440 0.000 1.368 273 I CB -0.313 37.472 38.000 -0.358 0.000 1.058 273 I HN 0.352 nan 8.210 nan 0.000 0.410 274 A N 0.433 122.955 122.820 -0.496 0.000 1.933 274 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 274 A C 2.053 179.357 177.584 -0.466 0.000 1.175 274 A CA 1.508 53.320 52.037 -0.375 0.000 0.628 274 A CB -0.205 18.606 19.000 -0.314 0.000 0.814 274 A HN 0.259 nan 8.150 nan 0.000 0.444 275 K N -1.029 118.878 120.400 -0.823 0.000 2.358 275 K HA 0.090 4.410 4.320 -0.001 0.000 0.197 275 K C -0.040 175.970 176.600 -0.984 0.000 1.025 275 K CA 0.339 55.993 56.287 -1.055 0.000 1.104 275 K CB 0.434 31.739 32.500 -1.991 0.000 0.855 275 K HN 0.245 nan 8.250 nan 0.000 0.531 276 K N 0.651 120.646 120.400 -0.676 0.000 3.035 276 K HA -0.160 4.160 4.320 -0.001 0.000 0.262 276 K C 0.057 176.470 176.600 -0.313 0.000 1.024 276 K CA 0.694 56.747 56.287 -0.389 0.000 0.748 276 K CB -2.973 29.384 32.500 -0.239 0.000 1.247 276 K HN 0.339 nan 8.250 nan 0.000 0.482 277 F N 0.292 120.023 119.950 -0.364 0.000 2.459 277 F HA 0.167 4.694 4.527 -0.001 0.000 0.346 277 F C 1.897 177.588 175.800 -0.182 0.000 1.128 277 F CA -0.594 57.200 58.000 -0.345 0.000 1.268 277 F CB 0.663 39.333 39.000 -0.550 0.000 1.161 277 F HN 0.003 nan 8.300 nan 0.000 0.583 278 D N 1.106 121.504 120.400 -0.003 0.000 2.271 278 D HA 0.092 4.732 4.640 -0.001 0.000 0.206 278 D C -0.322 175.868 176.300 -0.185 0.000 0.967 278 D CA 0.929 54.822 54.000 -0.179 0.000 0.867 278 D CB 0.461 40.847 40.800 -0.690 0.000 0.960 278 D HN 0.142 nan 8.370 nan 0.000 0.509 279 L N -0.364 120.729 121.223 -0.217 0.000 2.513 279 L HA 0.637 4.977 4.340 -0.001 0.000 0.261 279 L C -1.920 174.644 176.870 -0.510 0.000 0.945 279 L CA -0.600 54.079 54.840 -0.269 0.000 0.848 279 L CB 1.903 43.743 42.059 -0.364 0.000 1.334 279 L HN -0.121 nan 8.230 nan 0.000 0.407 280 A N 2.265 124.850 122.820 -0.391 0.000 2.569 280 A HA 0.942 5.261 4.320 -0.001 0.000 0.290 280 A C -0.972 176.575 177.584 -0.061 0.000 1.136 280 A CA -0.218 51.522 52.037 -0.496 0.000 0.710 280 A CB 2.057 20.906 19.000 -0.252 0.000 1.303 280 A HN 0.759 nan 8.150 nan 0.000 0.413 281 T N -0.123 114.502 114.554 0.118 0.000 2.885 281 T HA 0.483 4.833 4.350 -0.001 0.000 0.322 281 T C -1.459 173.348 174.700 0.179 0.000 1.387 281 T CA -0.558 61.778 62.100 0.393 0.000 1.041 281 T CB 1.098 70.181 68.868 0.358 0.000 1.287 281 T HN 0.633 nan 8.240 nan 0.000 0.491 282 K N 1.815 122.204 120.400 -0.018 0.000 2.110 282 K HA 0.768 5.087 4.320 -0.001 0.000 0.263 282 K C -0.479 176.041 176.600 -0.134 0.000 0.975 282 K CA -0.796 55.356 56.287 -0.224 0.000 0.895 282 K CB 1.742 33.977 32.500 -0.442 0.000 1.060 282 K HN 0.513 nan 8.250 nan 0.000 0.448 283 V N -1.489 118.329 119.914 -0.159 0.000 3.159 283 V HA 0.756 4.876 4.120 -0.001 0.000 0.308 283 V C -0.735 175.253 176.094 -0.176 0.000 1.190 283 V CA -0.988 61.214 62.300 -0.163 0.000 1.037 283 V CB 1.732 33.494 31.823 -0.102 0.000 1.060 283 V HN 0.569 nan 8.190 nan 0.000 0.437 284 V N -1.385 118.415 119.914 -0.190 0.000 3.078 284 V HA 0.793 4.913 4.120 -0.001 0.000 0.311 284 V C 0.135 176.163 176.094 -0.110 0.000 1.138 284 V CA -0.692 61.524 62.300 -0.140 0.000 1.007 284 V CB 1.636 33.379 31.823 -0.134 0.000 1.045 284 V HN 1.365 nan 8.190 nan 0.000 0.432 285 R N 1.906 122.362 120.500 -0.073 0.000 2.538 285 R HA 0.158 4.497 4.340 -0.001 0.000 0.282 285 R C 0.258 176.530 176.300 -0.048 0.000 1.009 285 R CA 0.276 56.343 56.100 -0.055 0.000 1.063 285 R CB -0.324 29.953 30.300 -0.038 0.000 0.945 285 R HN 1.052 nan 8.270 nan 0.000 0.414 286 K N 3.294 123.666 120.400 -0.047 0.000 2.448 286 K HA -0.030 4.290 4.320 -0.001 0.000 0.278 286 K C 1.520 178.114 176.600 -0.010 0.000 1.009 286 K CA 0.298 56.565 56.287 -0.033 0.000 0.995 286 K CB 0.399 32.879 32.500 -0.033 0.000 0.917 286 K HN 0.686 nan 8.250 nan 0.000 0.481 287 R N 2.008 122.512 120.500 0.006 0.000 2.088 287 R HA -0.165 4.175 4.340 -0.001 0.000 0.232 287 R C -0.280 176.025 176.300 0.008 0.000 1.136 287 R CA 2.550 58.658 56.100 0.014 0.000 0.926 287 R CB 0.095 30.412 30.300 0.029 0.000 0.837 287 R HN 0.913 nan 8.270 nan 0.000 0.429 288 D N -3.951 116.453 120.400 0.007 0.000 2.622 288 D HA 0.258 4.898 4.640 -0.001 0.000 0.255 288 D C -0.179 176.128 176.300 0.011 0.000 1.246 288 D CA -0.074 53.931 54.000 0.009 0.000 0.795 288 D CB 0.803 41.608 40.800 0.008 0.000 1.369 288 D HN 0.054 nan 8.370 nan 0.000 0.425 289 A N 0.330 123.161 122.820 0.018 0.000 2.093 289 A HA -0.175 4.144 4.320 -0.001 0.000 0.222 289 A C 1.897 179.498 177.584 0.027 0.000 1.162 289 A CA 2.581 54.634 52.037 0.027 0.000 0.655 289 A CB -1.680 17.339 19.000 0.033 0.000 0.805 289 A HN 0.811 nan 8.150 nan 0.000 0.461 290 N N -0.518 118.192 118.700 0.017 0.000 2.299 290 N HA 0.129 4.868 4.740 -0.001 0.000 0.187 290 N C 0.673 176.177 175.510 -0.010 0.000 1.099 290 N CA 0.542 53.600 53.050 0.013 0.000 0.867 290 N CB -0.227 38.265 38.487 0.008 0.000 0.974 290 N HN 0.760 nan 8.380 nan 0.000 0.477 291 E N 0.692 120.882 120.200 -0.016 0.000 2.452 291 E HA 0.066 4.415 4.350 -0.001 0.000 0.261 291 E C -0.541 175.999 176.600 -0.101 0.000 0.987 291 E CA -0.105 56.268 56.400 -0.045 0.000 0.926 291 E CB 0.289 29.981 29.700 -0.014 0.000 0.934 291 E HN 0.369 nan 8.360 nan 0.000 0.452 292 S N 3.796 119.346 115.700 -0.251 0.000 4.120 292 S HA 0.167 4.637 4.470 -0.001 0.000 0.215 292 S C -0.528 173.744 174.600 -0.546 0.000 1.347 292 S CA -0.533 57.254 58.200 -0.690 0.000 0.889 292 S CB -0.650 61.937 63.200 -1.021 0.000 1.585 292 S HN 0.398 nan 8.310 nan 0.000 0.447 293 V N -0.642 119.215 119.914 -0.094 0.000 2.888 293 V HA 0.930 5.049 4.120 -0.001 0.000 0.309 293 V C 0.412 176.580 176.094 0.123 0.000 1.114 293 V CA -1.105 61.227 62.300 0.054 0.000 0.940 293 V CB 1.132 32.937 31.823 -0.030 0.000 1.021 293 V HN 0.458 nan 8.190 nan 0.000 0.426 294 G N 2.476 111.313 108.800 0.062 0.000 2.606 294 G HA2 0.558 4.518 3.960 -0.001 0.000 0.252 294 G HA3 0.558 4.518 3.960 -0.001 0.000 0.252 294 G C -0.757 174.040 174.900 -0.171 0.000 1.206 294 G CA -0.650 44.374 45.100 -0.126 0.000 0.861 294 G HN 0.848 nan 8.290 nan 0.000 0.561 295 L N 0.562 121.644 121.223 -0.235 0.000 2.362 295 L HA 0.420 4.759 4.340 -0.001 0.000 0.275 295 L C -0.056 176.652 176.870 -0.270 0.000 0.998 295 L CA -0.724 53.986 54.840 -0.216 0.000 0.820 295 L CB 2.131 44.075 42.059 -0.191 0.000 1.270 295 L HN 0.323 nan 8.230 nan 0.000 0.415 296 I N 4.276 124.732 120.570 -0.190 0.000 2.371 296 I HA 0.408 4.577 4.170 -0.001 0.000 0.290 296 I C 0.045 176.066 176.117 -0.161 0.000 1.028 296 I CA -0.328 60.888 61.300 -0.141 0.000 1.345 296 I CB 1.312 39.313 38.000 0.001 0.000 1.407 296 I HN 0.378 nan 8.210 nan 0.000 0.501 297 V N 4.462 124.261 119.914 -0.192 0.000 3.112 297 V HA 0.570 4.690 4.120 -0.001 0.000 0.310 297 V C -1.293 174.741 176.094 -0.100 0.000 1.364 297 V CA -1.043 61.157 62.300 -0.166 0.000 1.058 297 V CB 2.111 33.789 31.823 -0.243 0.000 1.079 297 V HN 0.501 nan 8.190 nan 0.000 0.463 298 L N 1.785 123.000 121.223 -0.013 0.000 2.295 298 L HA 0.700 5.039 4.340 -0.001 0.000 0.285 298 L C -0.478 176.493 176.870 0.168 0.000 1.035 298 L CA 0.203 55.062 54.840 0.032 0.000 0.806 298 L CB 1.211 43.291 42.059 0.035 0.000 1.214 298 L HN 0.937 nan 8.230 nan 0.000 0.426 299 D N 3.389 123.892 120.400 0.171 0.000 2.393 299 D HA 0.112 4.751 4.640 -0.001 0.000 0.232 299 D C 0.725 177.091 176.300 0.110 0.000 1.192 299 D CA 0.140 54.288 54.000 0.246 0.000 0.882 299 D CB 1.043 41.971 40.800 0.212 0.000 1.038 299 D HN 0.659 nan 8.370 nan 0.000 0.499 300 Q N 2.103 121.955 119.800 0.088 0.000 2.248 300 Q HA -0.162 4.177 4.340 -0.001 0.000 0.208 300 Q C 0.747 176.757 176.000 0.017 0.000 0.984 300 Q CA 1.133 56.964 55.803 0.046 0.000 0.875 300 Q CB 0.307 29.068 28.738 0.039 0.000 0.910 300 Q HN 0.579 nan 8.270 nan 0.000 0.433 301 D N 0.515 120.911 120.400 -0.006 0.000 2.117 301 D HA -0.140 4.500 4.640 -0.001 0.000 0.197 301 D C 1.239 177.544 176.300 0.007 0.000 0.987 301 D CA 1.527 55.519 54.000 -0.013 0.000 0.829 301 D CB -0.225 40.553 40.800 -0.037 0.000 0.961 301 D HN 0.620 nan 8.370 nan 0.000 0.460 302 N N -0.807 117.907 118.700 0.024 0.000 2.171 302 N HA -0.043 4.697 4.740 -0.001 0.000 0.212 302 N C -0.334 175.197 175.510 0.034 0.000 1.184 302 N CA -0.143 52.925 53.050 0.030 0.000 0.888 302 N CB 0.627 39.137 38.487 0.038 0.000 1.038 302 N HN -0.287 nan 8.380 nan 0.000 0.517 303 Q N 0.274 120.096 119.800 0.035 0.000 2.478 303 Q HA -0.116 4.224 4.340 -0.001 0.000 0.286 303 Q C -1.049 174.962 176.000 0.018 0.000 1.299 303 Q CA 1.139 56.960 55.803 0.030 0.000 0.826 303 Q CB -1.141 27.614 28.738 0.029 0.000 1.199 303 Q HN 0.520 nan 8.270 nan 0.000 0.451 304 K N 0.430 120.839 120.400 0.015 0.000 2.375 304 K HA 0.599 4.919 4.320 -0.001 0.000 0.249 304 K C -2.360 174.192 176.600 -0.080 0.000 0.942 304 K CA -1.974 54.302 56.287 -0.020 0.000 0.806 304 K CB 2.055 34.571 32.500 0.026 0.000 1.227 304 K HN -0.114 nan 8.250 nan 0.000 0.430 305 P HA 0.308 nan 4.420 nan 0.000 0.277 305 P C -0.292 176.880 177.300 -0.214 0.000 1.240 305 P CA -0.377 62.491 63.100 -0.387 0.000 0.798 305 P CB 0.820 31.870 31.700 -1.083 0.000 0.979 306 C N -0.467 118.749 119.300 -0.140 0.000 3.295 306 C HA 0.677 5.137 4.460 -0.001 0.000 0.341 306 C C -1.178 173.710 174.990 -0.169 0.000 1.418 306 C CA -0.705 58.287 59.018 -0.044 0.000 1.240 306 C CB 0.987 28.736 27.740 0.015 0.000 1.562 306 C HN 0.341 nan 8.230 nan 0.000 0.457 307 V N 1.635 121.377 119.914 -0.287 0.000 2.540 307 V HA 0.554 4.673 4.120 -0.001 0.000 0.302 307 V C -0.283 175.503 176.094 -0.514 0.000 1.035 307 V CA -0.263 61.687 62.300 -0.584 0.000 0.873 307 V CB 1.569 32.606 31.823 -1.310 0.000 0.992 307 V HN 0.757 nan 8.190 nan 0.000 0.428 308 I N 3.004 123.285 120.570 -0.482 0.000 2.312 308 I HA 0.416 4.586 4.170 -0.001 0.000 0.290 308 I C 0.236 176.215 176.117 -0.230 0.000 1.008 308 I CA -0.508 60.606 61.300 -0.310 0.000 1.226 308 I CB 1.332 39.095 38.000 -0.396 0.000 1.371 308 I HN 0.555 nan 8.210 nan 0.000 0.468 309 E N 4.597 124.739 120.200 -0.097 0.000 2.398 309 E HA -0.047 4.303 4.350 -0.001 0.000 0.263 309 E C 0.510 177.033 176.600 -0.128 0.000 1.046 309 E CA 0.129 56.447 56.400 -0.136 0.000 0.908 309 E CB 0.480 30.124 29.700 -0.093 0.000 0.963 309 E HN 0.477 nan 8.360 nan 0.000 0.431 310 Y N 1.268 121.553 120.300 -0.025 0.000 2.333 310 Y HA -0.095 4.455 4.550 -0.001 0.000 0.290 310 Y C 1.591 177.513 175.900 0.038 0.000 1.144 310 Y CA 1.091 59.189 58.100 -0.004 0.000 1.228 310 Y CB -0.675 37.778 38.460 -0.012 0.000 0.985 310 Y HN 0.335 nan 8.280 nan 0.000 0.542 311 S N -0.683 114.742 115.700 -0.457 0.000 2.593 311 S HA 0.080 4.549 4.470 -0.001 0.000 0.217 311 S C 0.943 175.532 174.600 -0.019 0.000 0.966 311 S CA 0.393 58.481 58.200 -0.186 0.000 0.914 311 S CB -0.199 62.802 63.200 -0.333 0.000 0.776 311 S HN 0.707 nan 8.310 nan 0.000 0.523 312 E N 0.146 120.351 120.200 0.008 0.000 2.641 312 E HA 0.378 4.727 4.350 -0.001 0.000 0.224 312 E C -0.087 176.572 176.600 0.099 0.000 0.951 312 E CA -0.267 56.182 56.400 0.082 0.000 1.102 312 E CB 0.670 30.455 29.700 0.142 0.000 1.091 312 E HN 0.490 nan 8.360 nan 0.000 0.507 313 I N 1.695 122.316 120.570 0.084 0.000 2.519 313 I HA 0.202 4.371 4.170 -0.001 0.000 0.287 313 I C 0.362 176.543 176.117 0.107 0.000 1.047 313 I CA -0.063 61.301 61.300 0.107 0.000 1.381 313 I CB 0.865 38.910 38.000 0.076 0.000 1.417 313 I HN 0.043 nan 8.210 nan 0.000 0.540 314 S N 4.345 120.116 115.700 0.119 0.000 2.572 314 S HA 0.291 4.761 4.470 -0.001 0.000 0.279 314 S C 1.034 175.687 174.600 0.088 0.000 1.341 314 S CA 0.330 58.587 58.200 0.095 0.000 1.043 314 S CB 0.951 64.207 63.200 0.092 0.000 0.887 314 S HN 0.820 nan 8.310 nan 0.000 0.516 315 Q N 0.472 120.315 119.800 0.072 0.000 2.224 315 Q HA 0.072 4.411 4.340 -0.001 0.000 0.203 315 Q C 2.116 178.154 176.000 0.064 0.000 0.970 315 Q CA 2.293 58.135 55.803 0.065 0.000 0.865 315 Q CB -1.726 27.044 28.738 0.053 0.000 0.922 315 Q HN 1.167 nan 8.270 nan 0.000 0.445 316 E N 0.772 121.010 120.200 0.063 0.000 2.047 316 E HA 0.010 4.360 4.350 -0.001 0.000 0.191 316 E C 2.131 178.779 176.600 0.081 0.000 0.987 316 E CA 1.142 57.578 56.400 0.060 0.000 0.799 316 E CB -0.582 29.147 29.700 0.048 0.000 0.752 316 E HN 0.698 nan 8.360 nan 0.000 0.449 317 L N -0.099 121.187 121.223 0.106 0.000 2.046 317 L HA -0.073 4.267 4.340 -0.001 0.000 0.208 317 L C 3.143 180.096 176.870 0.139 0.000 1.077 317 L CA 1.185 56.115 54.840 0.150 0.000 0.747 317 L CB -0.395 41.785 42.059 0.202 0.000 0.896 317 L HN 0.454 nan 8.230 nan 0.000 0.432 318 A N -0.201 122.683 122.820 0.107 0.000 1.972 318 A HA -0.179 4.141 4.320 -0.001 0.000 0.219 318 A C 1.950 179.581 177.584 0.079 0.000 1.169 318 A CA 1.656 53.744 52.037 0.085 0.000 0.635 318 A CB -0.431 18.613 19.000 0.075 0.000 0.810 318 A HN 0.471 nan 8.150 nan 0.000 0.446 319 N N -0.569 118.177 118.700 0.076 0.000 2.353 319 N HA -0.002 4.737 4.740 -0.001 0.000 0.185 319 N C 0.429 175.982 175.510 0.072 0.000 1.098 319 N CA 0.093 53.182 53.050 0.064 0.000 0.872 319 N CB 0.069 38.586 38.487 0.050 0.000 0.970 319 N HN 0.514 nan 8.380 nan 0.000 0.467 320 K N 2.138 122.594 120.400 0.093 0.000 2.511 320 K HA -0.035 4.285 4.320 -0.001 0.000 0.280 320 K C -0.238 176.432 176.600 0.118 0.000 1.008 320 K CA 0.338 56.680 56.287 0.093 0.000 1.050 320 K CB 0.560 33.132 32.500 0.120 0.000 0.889 320 K HN -0.242 nan 8.250 nan 0.000 0.484 321 K N 3.111 123.555 120.400 0.075 0.000 2.087 321 K HA 0.065 4.385 4.320 -0.001 0.000 0.255 321 K C -0.710 175.955 176.600 0.108 0.000 0.988 321 K CA -0.649 55.689 56.287 0.085 0.000 0.915 321 K CB 1.040 33.568 32.500 0.046 0.000 1.043 321 K HN 0.811 nan 8.250 nan 0.000 0.457 322 D N 1.067 121.557 120.400 0.149 0.000 2.383 322 D HA 0.155 4.795 4.640 -0.001 0.000 0.252 322 D C -1.653 174.692 176.300 0.076 0.000 1.166 322 D CA -1.680 52.441 54.000 0.202 0.000 0.879 322 D CB 1.184 42.112 40.800 0.213 0.000 1.164 322 D HN 0.099 nan 8.370 nan 0.000 0.462 323 P HA -0.176 nan 4.420 nan 0.000 0.215 323 P C 1.059 178.367 177.300 0.013 0.000 1.157 323 P CA 0.866 63.943 63.100 -0.039 0.000 0.874 323 P CB 0.211 31.843 31.700 -0.112 0.000 0.790 324 Q N -1.570 118.261 119.800 0.051 0.000 2.488 324 Q HA -0.022 4.317 4.340 -0.001 0.000 0.211 324 Q C 0.456 176.484 176.000 0.047 0.000 0.967 324 Q CA 0.782 56.615 55.803 0.050 0.000 0.926 324 Q CB -0.718 28.059 28.738 0.066 0.000 0.992 324 Q HN 0.329 nan 8.270 nan 0.000 0.506 325 D N -2.042 118.391 120.400 0.054 0.000 2.318 325 D HA 0.274 4.913 4.640 -0.001 0.000 0.233 325 D C 0.421 176.748 176.300 0.045 0.000 1.348 325 D CA 0.598 54.625 54.000 0.045 0.000 0.983 325 D CB 0.712 41.541 40.800 0.048 0.000 1.416 325 D HN 0.136 nan 8.370 nan 0.000 0.558 326 S N 1.162 116.881 115.700 0.030 0.000 2.493 326 S HA -0.164 4.305 4.470 -0.001 0.000 0.243 326 S C 1.616 176.233 174.600 0.029 0.000 0.991 326 S CA 1.940 60.156 58.200 0.026 0.000 0.957 326 S CB -0.129 63.080 63.200 0.016 0.000 0.756 326 S HN 0.423 nan 8.310 nan 0.000 0.521 327 S N -0.515 115.203 115.700 0.030 0.000 2.492 327 S HA 0.241 4.711 4.470 -0.001 0.000 0.218 327 S C 0.536 175.154 174.600 0.031 0.000 1.016 327 S CA -0.307 57.909 58.200 0.026 0.000 0.916 327 S CB 0.180 63.392 63.200 0.020 0.000 0.791 327 S HN 0.516 nan 8.310 nan 0.000 0.513 328 K N 1.181 121.606 120.400 0.042 0.000 2.123 328 K HA 0.534 4.854 4.320 -0.001 0.000 0.259 328 K C -0.795 175.847 176.600 0.069 0.000 0.960 328 K CA -0.634 55.680 56.287 0.045 0.000 0.872 328 K CB 1.445 33.971 32.500 0.044 0.000 1.079 328 K HN 0.159 nan 8.250 nan 0.000 0.440 329 L N 2.795 124.055 121.223 0.062 0.000 2.426 329 L HA 0.077 4.416 4.340 -0.001 0.000 0.271 329 L C 1.326 178.275 176.870 0.132 0.000 1.169 329 L CA -0.196 54.699 54.840 0.090 0.000 0.836 329 L CB 0.122 42.216 42.059 0.058 0.000 1.112 329 L HN 0.677 nan 8.230 nan 0.000 0.465 330 F N 3.402 123.362 119.950 0.017 0.000 2.126 330 F HA -0.075 4.452 4.527 -0.001 0.000 0.299 330 F C 0.914 176.725 175.800 0.018 0.000 1.096 330 F CA 1.141 59.154 58.000 0.021 0.000 1.255 330 F CB 0.098 39.117 39.000 0.032 0.000 0.997 330 F HN 0.198 nan 8.300 nan 0.000 0.479 331 L N 2.458 123.619 121.223 -0.103 0.000 2.297 331 L HA 0.340 4.679 4.340 -0.001 0.000 0.277 331 L C 0.535 177.337 176.870 -0.114 0.000 1.040 331 L CA -0.262 54.449 54.840 -0.215 0.000 0.867 331 L CB 0.768 42.755 42.059 -0.119 0.000 1.244 331 L HN 0.144 nan 8.230 nan 0.000 0.433 332 R N 1.553 121.975 120.500 -0.130 0.000 2.600 332 R HA 0.440 4.779 4.340 -0.001 0.000 0.392 332 R C 0.036 176.280 176.300 -0.094 0.000 1.032 332 R CA -0.330 55.720 56.100 -0.084 0.000 1.139 332 R CB 0.629 30.897 30.300 -0.054 0.000 1.400 332 R HN 0.396 nan 8.270 nan 0.000 0.566 333 A N 1.626 124.377 122.820 -0.115 0.000 2.774 333 A HA 0.654 4.973 4.320 -0.001 0.000 0.326 333 A C 0.284 177.797 177.584 -0.118 0.000 1.478 333 A CA -0.504 51.469 52.037 -0.105 0.000 1.099 333 A CB 0.055 19.000 19.000 -0.092 0.000 1.148 333 A HN 0.473 nan 8.150 nan 0.000 0.519 334 A N 2.787 125.529 122.820 -0.130 0.000 2.409 334 A HA 0.423 4.742 4.320 -0.001 0.000 0.262 334 A C 0.461 177.924 177.584 -0.202 0.000 1.113 334 A CA -0.451 51.491 52.037 -0.158 0.000 0.790 334 A CB -0.175 18.727 19.000 -0.164 0.000 1.046 334 A HN 0.840 nan 8.150 nan 0.000 0.496 335 N N 1.876 120.473 118.700 -0.172 0.000 2.452 335 N HA 0.202 4.942 4.740 -0.001 0.000 0.266 335 N C 0.227 175.599 175.510 -0.229 0.000 1.175 335 N CA -0.121 52.853 53.050 -0.125 0.000 0.945 335 N CB 0.246 38.688 38.487 -0.074 0.000 1.063 335 N HN 0.581 nan 8.380 nan 0.000 0.472 336 I N 0.695 121.101 120.570 -0.273 0.000 3.856 336 I HA 0.284 4.453 4.170 -0.001 0.000 0.333 336 I C -0.334 175.723 176.117 -0.100 0.000 1.525 336 I CA -0.773 60.273 61.300 -0.424 0.000 1.173 336 I CB 0.040 37.611 38.000 -0.716 0.000 1.175 336 I HN 0.169 nan 8.210 nan 0.000 0.424 337 V N 1.083 120.983 119.914 -0.023 0.000 5.830 337 V HA -0.300 3.820 4.120 -0.001 0.000 0.274 337 V C -0.317 175.626 176.094 -0.252 0.000 0.632 337 V CA 1.068 63.312 62.300 -0.094 0.000 0.594 337 V CB -2.420 29.455 31.823 0.086 0.000 0.249 337 V HN 0.891 nan 8.190 nan 0.000 0.697 338 N N 1.815 120.277 118.700 -0.396 0.000 2.577 338 N HA 0.407 5.146 4.740 -0.001 0.000 0.275 338 N C -0.815 174.770 175.510 0.124 0.000 1.091 338 N CA -0.489 52.538 53.050 -0.039 0.000 0.843 338 N CB 1.411 39.894 38.487 -0.006 0.000 1.295 338 N HN 0.591 nan 8.380 nan 0.000 0.530 339 H N 1.158 120.635 119.070 0.678 0.000 2.679 339 H HA 0.261 4.816 4.556 -0.001 0.000 0.367 339 H C -1.073 174.660 175.328 0.674 0.000 1.162 339 H CA -0.357 56.068 56.048 0.627 0.000 1.181 339 H CB 1.938 31.972 29.762 0.454 0.000 1.693 339 H HN 0.488 nan 8.280 nan 0.000 0.538 340 Y N 2.195 122.662 120.300 0.279 0.000 2.364 340 Y HA 0.442 4.991 4.550 -0.001 0.000 0.340 340 Y C -1.807 174.080 175.900 -0.022 0.000 0.975 340 Y CA -0.739 57.357 58.100 -0.007 0.000 1.089 340 Y CB 0.838 38.912 38.460 -0.643 0.000 1.192 340 Y HN 0.431 nan 8.280 nan 0.000 0.454 341 Y N 2.621 122.487 120.300 -0.723 0.000 2.492 341 Y HA 0.441 4.991 4.550 -0.001 0.000 0.346 341 Y C -0.285 175.232 175.900 -0.638 0.000 0.997 341 Y CA -1.376 56.498 58.100 -0.376 0.000 1.025 341 Y CB 2.001 40.544 38.460 0.138 0.000 1.263 341 Y HN 0.619 nan 8.280 nan 0.000 0.454 342 S N 0.347 116.030 115.700 -0.029 0.000 2.525 342 S HA 0.325 4.795 4.470 -0.001 0.000 0.278 342 S C 0.623 175.294 174.600 0.118 0.000 1.234 342 S CA -0.654 57.582 58.200 0.060 0.000 1.058 342 S CB 1.272 64.601 63.200 0.215 0.000 0.983 342 S HN 0.525 nan 8.310 nan 0.000 0.495 343 V N 2.961 122.883 119.914 0.014 0.000 2.392 343 V HA -0.179 3.940 4.120 -0.001 0.000 0.249 343 V C 2.750 178.845 176.094 0.000 0.000 1.059 343 V CA 2.366 64.661 62.300 -0.007 0.000 1.051 343 V CB -1.096 30.695 31.823 -0.053 0.000 0.658 343 V HN 1.070 nan 8.190 nan 0.000 0.455 344 E N -0.358 119.855 120.200 0.023 0.000 2.085 344 E HA -0.278 4.072 4.350 -0.001 0.000 0.194 344 E C 2.124 178.757 176.600 0.056 0.000 0.994 344 E CA 1.676 58.090 56.400 0.023 0.000 0.801 344 E CB -0.196 29.527 29.700 0.038 0.000 0.743 344 E HN 0.562 nan 8.360 nan 0.000 0.453 345 F N 1.305 121.245 119.950 -0.018 0.000 2.134 345 F HA -0.135 4.391 4.527 -0.001 0.000 0.299 345 F C 1.906 177.644 175.800 -0.103 0.000 1.097 345 F CA 1.208 59.198 58.000 -0.017 0.000 1.264 345 F CB -0.242 38.813 39.000 0.092 0.000 1.001 345 F HN 0.008 nan 8.300 nan 0.000 0.479 346 L N -0.039 121.104 121.223 -0.132 0.000 2.141 346 L HA -0.225 4.115 4.340 -0.001 0.000 0.209 346 L C 2.273 178.933 176.870 -0.351 0.000 1.094 346 L CA 0.945 55.612 54.840 -0.289 0.000 0.763 346 L CB -0.777 41.238 42.059 -0.073 0.000 0.908 346 L HN 0.149 nan 8.230 nan 0.000 0.437 347 N N 0.227 118.790 118.700 -0.229 0.000 2.084 347 N HA -0.162 4.577 4.740 -0.001 0.000 0.190 347 N C 1.988 177.337 175.510 -0.268 0.000 1.030 347 N CA 1.841 54.769 53.050 -0.204 0.000 0.849 347 N CB -0.164 38.247 38.487 -0.127 0.000 1.012 347 N HN 0.322 nan 8.380 nan 0.000 0.423 348 K N -0.558 119.659 120.400 -0.305 0.000 2.365 348 K HA 0.194 4.513 4.320 -0.001 0.000 0.197 348 K C 1.775 178.056 176.600 -0.532 0.000 1.042 348 K CA 0.525 56.618 56.287 -0.324 0.000 0.987 348 K CB -0.185 32.187 32.500 -0.213 0.000 0.779 348 K HN 0.143 nan 8.250 nan 0.000 0.484 349 M N -0.170 118.899 119.600 -0.885 0.000 2.615 349 M HA 0.425 4.905 4.480 -0.001 0.000 0.262 349 M C 2.208 177.584 176.300 -1.539 0.000 1.198 349 M CA 0.502 54.944 55.300 -1.430 0.000 1.165 349 M CB -0.635 30.573 32.600 -2.319 0.000 1.310 349 M HN 0.114 nan 8.290 nan 0.000 0.494 350 I N 1.224 121.158 120.570 -1.060 0.000 2.208 350 I HA -0.241 3.928 4.170 -0.001 0.000 0.245 350 I C -0.577 175.358 176.117 -0.303 0.000 1.097 350 I CA 1.779 62.776 61.300 -0.506 0.000 1.363 350 I CB -1.656 36.236 38.000 -0.179 0.000 1.051 350 I HN 0.137 nan 8.210 nan 0.000 0.413 351 P HA -0.224 nan 4.420 nan 0.000 0.216 351 P C 1.159 178.366 177.300 -0.155 0.000 1.153 351 P CA 1.715 64.711 63.100 -0.173 0.000 0.858 351 P CB -0.141 31.455 31.700 -0.172 0.000 0.789 352 K N -2.380 117.851 120.400 -0.282 0.000 2.305 352 K HA -0.058 4.262 4.320 -0.001 0.000 0.199 352 K C 1.714 178.230 176.600 -0.139 0.000 1.047 352 K CA 0.770 56.938 56.287 -0.199 0.000 0.976 352 K CB -0.754 31.587 32.500 -0.265 0.000 0.765 352 K HN 0.121 nan 8.250 nan 0.000 0.474 353 W N 2.582 123.668 121.300 -0.357 0.000 2.453 353 W HA 0.076 4.735 4.660 -0.001 0.000 0.289 353 W C 2.091 178.585 176.519 -0.041 0.000 1.215 353 W CA 0.228 57.377 57.345 -0.326 0.000 1.297 353 W CB -0.385 28.799 29.460 -0.461 0.000 1.113 353 W HN 0.121 nan 8.180 nan 0.000 0.551 354 I N -0.809 119.881 120.570 0.199 0.000 2.716 354 I HA 0.016 4.186 4.170 -0.001 0.000 0.259 354 I C 1.296 177.497 176.117 0.140 0.000 1.172 354 I CA 1.200 62.609 61.300 0.181 0.000 1.478 354 I CB -0.898 37.196 38.000 0.157 0.000 1.104 354 I HN -0.150 nan 8.210 nan 0.000 0.439 355 S N 0.641 116.410 115.700 0.114 0.000 2.849 355 S HA 0.439 4.909 4.470 -0.001 0.000 0.244 355 S C 0.255 174.921 174.600 0.109 0.000 1.297 355 S CA -0.248 58.005 58.200 0.089 0.000 1.241 355 S CB -0.546 62.686 63.200 0.054 0.000 0.958 355 S HN 0.512 nan 8.310 nan 0.000 0.489 356 S N 0.203 115.983 115.700 0.134 0.000 2.604 356 S HA 0.259 4.729 4.470 -0.001 0.000 0.296 356 S C -0.255 174.382 174.600 0.062 0.000 1.097 356 S CA -0.486 57.777 58.200 0.104 0.000 0.883 356 S CB 1.268 64.579 63.200 0.185 0.000 1.081 356 S HN 0.239 nan 8.310 nan 0.000 0.448 357 Q N 2.864 122.624 119.800 -0.068 0.000 2.432 357 Q HA 0.220 4.559 4.340 -0.001 0.000 0.205 357 Q C 2.085 177.992 176.000 -0.155 0.000 0.945 357 Q CA 1.975 57.678 55.803 -0.166 0.000 0.924 357 Q CB -0.216 28.352 28.738 -0.283 0.000 1.016 357 Q HN 0.820 nan 8.270 nan 0.000 0.503 358 K N -0.386 119.907 120.400 -0.178 0.000 2.057 358 K HA -0.174 4.146 4.320 -0.001 0.000 0.207 358 K C 1.667 178.097 176.600 -0.283 0.000 1.049 358 K CA 1.911 58.015 56.287 -0.305 0.000 0.931 358 K CB -1.071 31.122 32.500 -0.512 0.000 0.714 358 K HN 0.549 nan 8.250 nan 0.000 0.440 359 Y N -0.977 119.325 120.300 0.004 0.000 2.397 359 Y HA 0.352 4.901 4.550 -0.001 0.000 0.292 359 Y C 1.305 177.167 175.900 -0.062 0.000 1.115 359 Y CA 0.146 58.237 58.100 -0.015 0.000 1.208 359 Y CB 0.510 38.991 38.460 0.034 0.000 1.046 359 Y HN -0.005 nan 8.280 nan 0.000 0.552 360 L N 2.672 123.969 121.223 0.122 0.000 2.732 360 L HA 0.319 4.659 4.340 -0.001 0.000 0.246 360 L C -2.534 174.355 176.870 0.031 0.000 1.407 360 L CA -1.830 53.063 54.840 0.089 0.000 0.861 360 L CB 0.747 42.898 42.059 0.154 0.000 1.161 360 L HN -0.140 nan 8.230 nan 0.000 0.510 361 P HA -0.055 nan 4.420 nan 0.000 0.268 361 P C -0.269 176.938 177.300 -0.155 0.000 1.208 361 P CA 0.265 63.233 63.100 -0.221 0.000 0.777 361 P CB 0.586 32.120 31.700 -0.276 0.000 0.875 362 F N 1.203 120.966 119.950 -0.312 0.000 2.443 362 F HA 0.159 4.686 4.527 -0.001 0.000 0.353 362 F C 1.617 177.109 175.800 -0.513 0.000 1.101 362 F CA -0.393 57.424 58.000 -0.305 0.000 1.226 362 F CB 0.466 39.341 39.000 -0.208 0.000 1.140 362 F HN 0.262 nan 8.300 nan 0.000 0.557 363 H N 3.765 122.723 119.070 -0.186 0.000 2.489 363 H HA 0.330 4.885 4.556 -0.001 0.000 0.343 363 H C -0.624 174.604 175.328 -0.166 0.000 1.086 363 H CA -0.765 55.097 56.048 -0.309 0.000 1.198 363 H CB 2.219 31.489 29.762 -0.820 0.000 1.490 363 H HN 0.338 nan 8.280 nan 0.000 0.504 364 I N 2.214 122.782 120.570 -0.004 0.000 2.365 364 I HA 0.273 4.442 4.170 -0.001 0.000 0.291 364 I C 0.318 176.459 176.117 0.040 0.000 1.004 364 I CA -0.081 61.222 61.300 0.004 0.000 1.311 364 I CB 1.207 39.202 38.000 -0.010 0.000 1.401 364 I HN 0.603 nan 8.210 nan 0.000 0.491 365 A N 6.683 129.527 122.820 0.041 0.000 2.375 365 A HA 0.550 4.869 4.320 -0.001 0.000 0.291 365 A C -0.231 177.381 177.584 0.047 0.000 1.160 365 A CA -0.855 51.216 52.037 0.057 0.000 0.747 365 A CB 0.360 19.403 19.000 0.072 0.000 1.170 365 A HN 0.630 nan 8.150 nan 0.000 0.458 366 K N 1.410 121.836 120.400 0.044 0.000 2.436 366 K HA 0.338 4.658 4.320 -0.001 0.000 0.275 366 K C -0.293 176.325 176.600 0.031 0.000 0.999 366 K CA 0.463 56.772 56.287 0.036 0.000 0.980 366 K CB 0.448 32.968 32.500 0.033 0.000 0.919 366 K HN 0.559 nan 8.250 nan 0.000 0.484 367 K N 1.211 121.624 120.400 0.021 0.000 2.555 367 K HA 0.263 4.582 4.320 -0.001 0.000 0.279 367 K C -1.578 175.011 176.600 -0.018 0.000 0.986 367 K CA -0.746 55.545 56.287 0.006 0.000 0.880 367 K CB 1.558 34.064 32.500 0.010 0.000 1.474 367 K HN 0.228 nan 8.250 nan 0.000 0.433 368 K N 2.018 122.394 120.400 -0.040 0.000 2.268 368 K HA 0.446 4.766 4.320 -0.001 0.000 0.276 368 K C -0.568 175.969 176.600 -0.106 0.000 1.080 368 K CA -0.153 56.083 56.287 -0.086 0.000 0.910 368 K CB 0.467 32.912 32.500 -0.092 0.000 1.163 368 K HN 0.368 nan 8.250 nan 0.000 0.465 369 I N 5.152 125.643 120.570 -0.132 0.000 2.355 369 I HA 0.232 4.401 4.170 -0.001 0.000 0.288 369 I C -2.327 173.663 176.117 -0.210 0.000 0.999 369 I CA -2.736 58.493 61.300 -0.118 0.000 1.163 369 I CB 1.579 39.550 38.000 -0.049 0.000 1.316 369 I HN 0.221 nan 8.210 nan 0.000 0.454 370 P HA 0.117 nan 4.420 nan 0.000 0.270 370 P C -0.465 176.742 177.300 -0.155 0.000 1.242 370 P CA 0.293 63.201 63.100 -0.319 0.000 0.768 370 P CB 0.687 32.311 31.700 -0.126 0.000 0.820 371 S N 2.618 118.162 115.700 -0.259 0.000 2.761 371 S HA 0.391 4.861 4.470 -0.001 0.000 0.290 371 S C -0.972 173.742 174.600 0.188 0.000 1.222 371 S CA -0.976 57.294 58.200 0.116 0.000 0.954 371 S CB 0.323 63.588 63.200 0.110 0.000 1.281 371 S HN 0.119 nan 8.310 nan 0.000 0.527 372 L N 2.027 123.381 121.223 0.219 0.000 2.371 372 L HA 0.521 4.860 4.340 -0.001 0.000 0.272 372 L C 1.006 177.876 176.870 0.000 0.000 1.124 372 L CA -0.096 54.814 54.840 0.116 0.000 0.816 372 L CB 0.086 42.171 42.059 0.044 0.000 1.129 372 L HN 0.980 nan 8.230 nan 0.000 0.448 373 N N 4.013 122.533 118.700 -0.301 0.000 2.497 373 N HA 0.376 5.115 4.740 -0.001 0.000 0.271 373 N C 0.115 175.526 175.510 -0.165 0.000 1.142 373 N CA -0.494 52.229 53.050 -0.544 0.000 0.965 373 N CB 0.232 38.283 38.487 -0.726 0.000 1.077 373 N HN 0.510 nan 8.380 nan 0.000 0.462 379 F N 2.444 122.342 119.950 -0.086 0.000 2.628 379 F HA 0.509 5.036 4.527 -0.001 0.000 0.346 379 F C 0.594 176.501 175.800 0.178 0.000 1.188 379 F CA 1.862 59.883 58.000 0.035 0.000 1.376 379 F CB 0.252 39.252 39.000 0.001 0.000 1.104 379 F HN 0.801 nan 8.300 nan 0.000 0.616 380 Y N -0.416 119.280 120.300 -1.005 0.000 2.932 380 Y HA 0.536 5.086 4.550 -0.001 0.000 0.384 380 Y C -1.674 173.793 175.900 -0.721 0.000 1.193 380 Y CA -1.445 56.266 58.100 -0.649 0.000 1.161 380 Y CB 0.167 38.458 38.460 -0.281 0.000 1.500 380 Y HN 0.579 nan 8.280 nan 0.000 0.463 381 K N 2.089 122.162 120.400 -0.544 0.000 2.559 381 K HA 0.582 4.901 4.320 -0.001 0.000 0.249 381 K C -3.153 173.129 176.600 -0.530 0.000 0.958 381 K CA -1.844 54.121 56.287 -0.537 0.000 0.901 381 K CB 0.556 32.901 32.500 -0.259 0.000 1.124 381 K HN 0.582 nan 8.250 nan 0.000 0.437 382 P HA 0.023 nan 4.420 nan 0.000 0.265 382 P C 0.498 177.674 177.300 -0.207 0.000 1.193 382 P CA 0.370 63.200 63.100 -0.449 0.000 0.765 382 P CB 1.038 32.482 31.700 -0.428 0.000 0.823 383 T N -1.725 112.761 114.554 -0.114 0.000 3.086 383 T HA 0.171 4.520 4.350 -0.001 0.000 0.250 383 T C 0.281 174.955 174.700 -0.044 0.000 1.074 383 T CA -0.167 61.894 62.100 -0.064 0.000 0.988 383 T CB 0.036 68.885 68.868 -0.033 0.000 0.988 383 T HN 0.398 nan 8.240 nan 0.000 0.530 384 E N 0.612 120.783 120.200 -0.047 0.000 2.392 384 E HA 0.449 4.799 4.350 -0.001 0.000 0.279 384 E C -3.241 173.340 176.600 -0.031 0.000 0.964 384 E CA -1.942 54.442 56.400 -0.026 0.000 0.777 384 E CB 1.537 31.233 29.700 -0.006 0.000 1.249 384 E HN 0.139 nan 8.360 nan 0.000 0.449 385 P HA -0.006 nan 4.420 nan 0.000 0.259 385 P C 0.116 177.414 177.300 -0.003 0.000 1.163 385 P CA 0.725 63.819 63.100 -0.010 0.000 0.760 385 P CB 0.223 31.927 31.700 0.007 0.000 0.762 386 N N 2.060 120.754 118.700 -0.011 0.000 2.184 386 N HA 0.224 4.964 4.740 -0.001 0.000 0.234 386 N C 0.155 175.684 175.510 0.032 0.000 1.282 386 N CA -0.168 52.889 53.050 0.012 0.000 0.877 386 N CB 0.766 39.246 38.487 -0.011 0.000 1.184 386 N HN 0.430 nan 8.380 nan 0.000 0.510 387 G N 0.497 109.316 108.800 0.032 0.000 2.495 387 G HA2 0.503 4.462 3.960 -0.001 0.000 0.294 387 G HA3 0.503 4.462 3.960 -0.001 0.000 0.294 387 G C -1.886 173.052 174.900 0.063 0.000 1.397 387 G CA -0.851 44.285 45.100 0.060 0.000 0.790 387 G HN 0.329 nan 8.290 nan 0.000 0.486 388 I N -2.233 118.396 120.570 0.098 0.000 2.582 388 I HA 0.743 4.913 4.170 -0.001 0.000 0.292 388 I C -0.816 175.365 176.117 0.106 0.000 1.066 388 I CA -1.107 60.244 61.300 0.084 0.000 1.053 388 I CB 2.458 40.498 38.000 0.066 0.000 1.241 388 I HN 0.261 nan 8.210 nan 0.000 0.421 389 K N 6.016 126.455 120.400 0.065 0.000 2.156 389 K HA 0.673 4.992 4.320 -0.001 0.000 0.254 389 K C -1.155 175.452 176.600 0.012 0.000 0.950 389 K CA -0.780 55.539 56.287 0.053 0.000 0.849 389 K CB 2.642 35.164 32.500 0.037 0.000 1.100 389 K HN 0.565 nan 8.250 nan 0.000 0.434 390 L N 2.159 123.359 121.223 -0.038 0.000 2.322 390 L HA 0.416 4.755 4.340 -0.001 0.000 0.279 390 L C -0.167 176.610 176.870 -0.155 0.000 1.036 390 L CA -0.458 54.286 54.840 -0.159 0.000 0.807 390 L CB 1.266 43.098 42.059 -0.379 0.000 1.226 390 L HN 0.558 nan 8.230 nan 0.000 0.433 391 E N 2.369 122.489 120.200 -0.133 0.000 2.308 391 E HA 0.341 4.691 4.350 -0.001 0.000 0.275 391 E C -1.556 174.989 176.600 -0.092 0.000 0.890 391 E CA -0.811 55.550 56.400 -0.064 0.000 0.754 391 E CB 2.655 32.401 29.700 0.077 0.000 1.207 391 E HN 0.505 nan 8.360 nan 0.000 0.426 392 Q N 1.628 121.431 119.800 0.005 0.000 2.230 392 Q HA 0.440 4.779 4.340 -0.001 0.000 0.253 392 Q C -0.937 175.132 176.000 0.116 0.000 0.919 392 Q CA -0.662 55.181 55.803 0.067 0.000 0.908 392 Q CB 1.350 30.175 28.738 0.145 0.000 1.245 392 Q HN 0.300 nan 8.270 nan 0.000 0.437 393 F N 1.474 121.340 119.950 -0.139 0.000 2.420 393 F HA 0.241 4.767 4.527 -0.001 0.000 0.342 393 F C 1.126 176.607 175.800 -0.531 0.000 1.113 393 F CA -1.701 55.967 58.000 -0.554 0.000 1.059 393 F CB 0.638 38.972 39.000 -1.110 0.000 1.128 393 F HN 0.601 nan 8.300 nan 0.000 0.475 394 I N 3.243 123.643 120.570 -0.283 0.000 2.248 394 I HA -0.322 3.847 4.170 -0.001 0.000 0.248 394 I C 1.953 177.968 176.117 -0.170 0.000 1.107 394 I CA 1.903 63.142 61.300 -0.102 0.000 1.373 394 I CB -0.289 37.719 38.000 0.014 0.000 1.055 394 I HN 0.528 nan 8.210 nan 0.000 0.418 395 F N -1.008 118.739 119.950 -0.339 0.000 2.780 395 F HA 0.180 4.706 4.527 -0.001 0.000 0.299 395 F C 1.684 177.050 175.800 -0.724 0.000 1.146 395 F CA -0.099 57.222 58.000 -1.131 0.000 1.428 395 F CB -1.552 36.701 39.000 -1.245 0.000 1.115 395 F HN -0.006 nan 8.300 nan 0.000 0.583 396 D N 1.464 121.778 120.400 -0.144 0.000 2.309 396 D HA -0.116 4.524 4.640 -0.001 0.000 0.212 396 D C 2.470 178.765 176.300 -0.008 0.000 0.968 396 D CA 1.566 55.601 54.000 0.058 0.000 0.882 396 D CB -0.050 40.808 40.800 0.096 0.000 0.918 396 D HN 0.455 nan 8.370 nan 0.000 0.503 397 V N -2.312 117.487 119.914 -0.192 0.000 3.461 397 V HA -0.047 4.073 4.120 -0.001 0.000 0.267 397 V C 1.964 178.119 176.094 0.102 0.000 1.186 397 V CA 0.355 62.429 62.300 -0.378 0.000 1.154 397 V CB -0.821 30.077 31.823 -1.541 0.000 0.802 397 V HN -0.150 nan 8.190 nan 0.000 0.474 398 F N 2.177 122.132 119.950 0.009 0.000 2.091 398 F HA 0.042 4.568 4.527 -0.001 0.000 0.299 398 F C 0.288 176.127 175.800 0.066 0.000 1.103 398 F CA 1.127 59.170 58.000 0.072 0.000 1.228 398 F CB -2.618 36.394 39.000 0.020 0.000 0.984 398 F HN 0.325 nan 8.300 nan 0.000 0.477 399 P HA -0.095 nan 4.420 nan 0.000 0.234 399 P C 1.224 178.668 177.300 0.241 0.000 1.162 399 P CA 1.548 64.753 63.100 0.175 0.000 0.759 399 P CB -0.415 31.375 31.700 0.150 0.000 0.813 400 S N -2.090 113.831 115.700 0.368 0.000 2.575 400 S HA 0.082 4.552 4.470 -0.001 0.000 0.215 400 S C 0.756 175.613 174.600 0.429 0.000 0.966 400 S CA -0.375 58.096 58.200 0.451 0.000 0.911 400 S CB -0.725 62.850 63.200 0.625 0.000 0.780 400 S HN -0.021 nan 8.310 nan 0.000 0.514 401 V N 1.937 122.076 119.914 0.375 0.000 2.785 401 V HA 0.326 4.445 4.120 -0.001 0.000 0.300 401 V C -0.179 176.000 176.094 0.140 0.000 1.062 401 V CA -0.804 61.662 62.300 0.278 0.000 1.029 401 V CB 1.428 33.331 31.823 0.133 0.000 1.024 401 V HN 0.492 nan 8.190 nan 0.000 0.477 402 E N 3.538 123.795 120.200 0.096 0.000 2.290 402 E HA 0.069 4.419 4.350 -0.001 0.000 0.277 402 E C 0.638 177.265 176.600 0.045 0.000 1.035 402 E CA -0.280 56.162 56.400 0.071 0.000 0.873 402 E CB 1.306 31.047 29.700 0.067 0.000 1.029 402 E HN 0.626 nan 8.360 nan 0.000 0.419 403 L N 5.018 126.260 121.223 0.033 0.000 2.034 403 L HA -0.305 4.035 4.340 -0.001 0.000 0.217 403 L C 1.750 178.655 176.870 0.059 0.000 1.077 403 L CA 2.138 56.989 54.840 0.019 0.000 0.769 403 L CB -0.486 41.581 42.059 0.015 0.000 0.890 403 L HN 0.679 nan 8.230 nan 0.000 0.435 404 N N -1.476 117.266 118.700 0.069 0.000 2.521 404 N HA -0.142 4.597 4.740 -0.001 0.000 0.188 404 N C 1.163 176.759 175.510 0.143 0.000 1.146 404 N CA 0.565 53.676 53.050 0.101 0.000 0.893 404 N CB -0.064 38.472 38.487 0.082 0.000 0.975 404 N HN 0.265 nan 8.380 nan 0.000 0.451 405 K N -0.335 120.121 120.400 0.093 0.000 2.387 405 K HA 0.297 4.616 4.320 -0.001 0.000 0.203 405 K C -1.220 175.353 176.600 -0.046 0.000 1.030 405 K CA -0.404 55.942 56.287 0.097 0.000 1.099 405 K CB -0.086 32.408 32.500 -0.010 0.000 0.863 405 K HN 0.186 nan 8.250 nan 0.000 0.529 406 F N -0.267 119.450 119.950 -0.388 0.000 2.458 406 F HA 0.662 5.189 4.527 -0.001 0.000 0.336 406 F C 0.216 175.286 175.800 -1.217 0.000 1.114 406 F CA -0.821 56.781 58.000 -0.665 0.000 0.987 406 F CB 1.485 40.249 39.000 -0.392 0.000 1.130 406 F HN -0.016 nan 8.300 nan 0.000 0.458 407 G N 3.355 110.860 108.800 -2.159 0.000 2.482 407 G HA2 0.500 4.460 3.960 -0.001 0.000 0.317 407 G HA3 0.500 4.460 3.960 -0.001 0.000 0.317 407 G C -2.094 172.290 174.900 -0.860 0.000 1.241 407 G CA -0.716 43.367 45.100 -1.695 0.000 0.967 407 G HN 0.882 nan 8.290 nan 0.000 0.482 408 C N 4.037 123.233 119.300 -0.172 0.000 2.455 408 C HA 0.631 5.091 4.460 -0.001 0.000 0.321 408 C C -0.517 174.480 174.990 0.012 0.000 1.102 408 C CA -0.911 58.081 59.018 -0.043 0.000 1.413 408 C CB -0.494 27.300 27.740 0.090 0.000 1.952 408 C HN 0.708 nan 8.230 nan 0.000 0.428 409 L N 5.506 126.666 121.223 -0.105 0.000 2.265 409 L HA 0.499 4.839 4.340 -0.001 0.000 0.288 409 L C 0.297 177.040 176.870 -0.211 0.000 1.058 409 L CA 0.599 55.229 54.840 -0.351 0.000 0.809 409 L CB 0.853 42.540 42.059 -0.621 0.000 1.179 409 L HN 0.801 nan 8.230 nan 0.000 0.429 410 E N 4.905 125.011 120.200 -0.157 0.000 2.283 410 E HA 0.562 4.911 4.350 -0.001 0.000 0.278 410 E C -1.122 175.401 176.600 -0.128 0.000 1.027 410 E CA -0.735 55.592 56.400 -0.122 0.000 0.843 410 E CB 1.254 30.907 29.700 -0.079 0.000 1.062 410 E HN 0.536 nan 8.360 nan 0.000 0.401 411 V N 0.747 120.585 119.914 -0.127 0.000 3.126 411 V HA 0.427 4.546 4.120 -0.001 0.000 0.314 411 V C -0.462 175.586 176.094 -0.075 0.000 1.138 411 V CA -1.208 61.029 62.300 -0.105 0.000 1.034 411 V CB 1.740 33.486 31.823 -0.128 0.000 1.075 411 V HN 0.716 nan 8.190 nan 0.000 0.442 412 D N 0.886 121.254 120.400 -0.053 0.000 2.338 412 D HA 0.213 4.852 4.640 -0.001 0.000 0.255 412 D C 1.186 177.463 176.300 -0.039 0.000 1.237 412 D CA 0.135 54.109 54.000 -0.042 0.000 0.883 412 D CB 1.121 41.903 40.800 -0.030 0.000 1.087 412 D HN 0.720 nan 8.370 nan 0.000 0.485 413 R N 3.849 124.327 120.500 -0.035 0.000 2.117 413 R HA -0.146 4.194 4.340 -0.001 0.000 0.243 413 R C 1.586 177.839 176.300 -0.077 0.000 1.143 413 R CA 1.165 57.262 56.100 -0.006 0.000 0.968 413 R CB -0.071 30.235 30.300 0.009 0.000 0.863 413 R HN 0.557 nan 8.270 nan 0.000 0.444 414 L N 0.092 121.240 121.223 -0.124 0.000 2.362 414 L HA -0.112 4.228 4.340 -0.001 0.000 0.219 414 L C 1.376 178.145 176.870 -0.168 0.000 1.134 414 L CA 0.838 55.564 54.840 -0.191 0.000 0.807 414 L CB -0.247 41.716 42.059 -0.160 0.000 0.927 414 L HN 0.214 nan 8.230 nan 0.000 0.447 415 D N -0.497 119.846 120.400 -0.095 0.000 2.392 415 D HA -0.000 4.639 4.640 -0.001 0.000 0.206 415 D C 1.274 177.548 176.300 -0.044 0.000 1.046 415 D CA 0.625 54.588 54.000 -0.061 0.000 0.865 415 D CB 0.673 41.495 40.800 0.037 0.000 0.969 415 D HN 0.444 nan 8.370 nan 0.000 0.509 416 E N -0.802 119.384 120.200 -0.022 0.000 2.702 416 E HA 0.103 4.452 4.350 -0.001 0.000 0.225 416 E C -0.501 176.179 176.600 0.133 0.000 0.942 416 E CA -0.246 56.166 56.400 0.020 0.000 1.210 416 E CB 1.593 31.292 29.700 -0.001 0.000 1.143 416 E HN -0.038 nan 8.360 nan 0.000 0.544 417 F N 1.434 121.330 119.950 -0.091 0.000 2.730 417 F HA 0.409 4.936 4.527 -0.001 0.000 0.335 417 F C -1.404 174.360 175.800 -0.060 0.000 1.212 417 F CA -0.684 57.278 58.000 -0.062 0.000 1.016 417 F CB 2.122 41.084 39.000 -0.064 0.000 1.290 417 F HN -0.235 nan 8.300 nan 0.000 0.495 418 S N 8.257 123.655 115.700 -0.502 0.000 2.385 418 S HA 0.413 4.882 4.470 -0.001 0.000 0.191 418 S C -3.086 171.251 174.600 -0.439 0.000 1.196 418 S CA -1.036 56.917 58.200 -0.412 0.000 1.178 418 S CB 0.780 63.977 63.200 -0.005 0.000 1.258 418 S HN 0.421 nan 8.310 nan 0.000 0.430 419 P HA 0.210 nan 4.420 nan 0.000 0.276 419 P C -0.546 176.601 177.300 -0.256 0.000 1.230 419 P CA -0.643 62.213 63.100 -0.406 0.000 0.776 419 P CB 0.787 32.235 31.700 -0.420 0.000 0.888 420 L N 4.479 125.581 121.223 -0.201 0.000 2.302 420 L HA 0.206 4.545 4.340 -0.001 0.000 0.285 420 L C 0.920 177.661 176.870 -0.215 0.000 1.090 420 L CA 0.551 55.250 54.840 -0.234 0.000 0.866 420 L CB -0.176 41.719 42.059 -0.273 0.000 1.244 420 L HN 0.212 nan 8.230 nan 0.000 0.435 421 K N 2.247 122.530 120.400 -0.195 0.000 2.367 421 K HA 0.340 4.659 4.320 -0.001 0.000 0.198 421 K C -0.046 176.461 176.600 -0.155 0.000 1.132 421 K CA 0.301 56.496 56.287 -0.153 0.000 0.941 421 K CB 0.383 32.809 32.500 -0.124 0.000 1.052 421 K HN 0.512 nan 8.250 nan 0.000 0.507 422 N N 0.509 119.109 118.700 -0.167 0.000 2.328 422 N HA 0.368 5.107 4.740 -0.001 0.000 0.299 422 N C -0.804 174.604 175.510 -0.171 0.000 1.179 422 N CA -0.418 52.545 53.050 -0.144 0.000 0.793 422 N CB 1.890 40.312 38.487 -0.108 0.000 1.366 422 N HN -0.024 nan 8.380 nan 0.000 0.493 423 A N 0.365 123.106 122.820 -0.132 0.000 2.406 423 A HA 0.121 4.441 4.320 -0.001 0.000 0.243 423 A C 0.068 177.599 177.584 -0.089 0.000 1.082 423 A CA -0.130 51.840 52.037 -0.112 0.000 0.786 423 A CB -0.029 18.936 19.000 -0.058 0.000 1.029 423 A HN 0.565 nan 8.150 nan 0.000 0.495 424 D N -0.269 120.091 120.400 -0.066 0.000 2.478 424 D HA 0.346 4.985 4.640 -0.001 0.000 0.234 424 D C 1.323 177.596 176.300 -0.045 0.000 1.154 424 D CA 2.175 56.142 54.000 -0.054 0.000 0.874 424 D CB 0.709 41.493 40.800 -0.027 0.000 1.198 424 D HN 1.080 nan 8.370 nan 0.000 0.455 425 G N 0.232 109.004 108.800 -0.046 0.000 2.278 425 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.210 425 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.210 425 G C 0.414 175.289 174.900 -0.042 0.000 1.000 425 G CA 0.308 45.385 45.100 -0.038 0.000 0.635 425 G HN 0.846 nan 8.290 nan 0.000 0.495 426 A N 0.415 123.203 122.820 -0.054 0.000 2.304 426 A HA 0.745 5.064 4.320 -0.001 0.000 0.271 426 A C 1.311 178.861 177.584 -0.057 0.000 1.091 426 A CA 1.103 53.107 52.037 -0.055 0.000 0.812 426 A CB 0.726 19.685 19.000 -0.068 0.000 1.056 426 A HN 0.518 nan 8.150 nan 0.000 0.489 427 K N 0.290 120.660 120.400 -0.050 0.000 2.025 427 K HA -0.097 4.222 4.320 -0.001 0.000 0.207 427 K C 0.108 176.674 176.600 -0.057 0.000 1.049 427 K CA 1.648 57.907 56.287 -0.047 0.000 0.933 427 K CB -0.142 32.337 32.500 -0.036 0.000 0.714 427 K HN 0.806 nan 8.250 nan 0.000 0.438 428 N N -0.014 118.647 118.700 -0.064 0.000 2.380 428 N HA 0.132 4.871 4.740 -0.001 0.000 0.290 428 N C -1.674 173.776 175.510 -0.100 0.000 1.236 428 N CA -0.566 52.440 53.050 -0.073 0.000 0.780 428 N CB 1.617 40.073 38.487 -0.052 0.000 1.438 428 N HN 0.058 nan 8.380 nan 0.000 0.491 429 D N -0.018 120.312 120.400 -0.117 0.000 2.812 429 D HA -0.146 4.493 4.640 -0.001 0.000 0.237 429 D C -0.600 175.598 176.300 -0.171 0.000 1.162 429 D CA 0.955 54.862 54.000 -0.155 0.000 0.740 429 D CB -1.614 39.092 40.800 -0.155 0.000 1.000 429 D HN 0.601 nan 8.370 nan 0.000 0.416 430 T N -4.531 109.917 114.554 -0.176 0.000 2.910 430 T HA 0.589 4.939 4.350 -0.001 0.000 0.287 430 T C -2.129 172.451 174.700 -0.200 0.000 1.050 430 T CA -1.833 60.155 62.100 -0.186 0.000 1.011 430 T CB 2.775 71.558 68.868 -0.142 0.000 1.195 430 T HN -0.338 nan 8.240 nan 0.000 0.540 431 P HA -0.063 nan 4.420 nan 0.000 0.216 431 P C 1.563 178.806 177.300 -0.094 0.000 1.150 431 P CA 1.269 64.285 63.100 -0.140 0.000 0.837 431 P CB -0.243 31.450 31.700 -0.011 0.000 0.786 432 T N -0.893 113.602 114.554 -0.098 0.000 2.708 432 T HA -0.149 4.200 4.350 -0.001 0.000 0.266 432 T C 1.847 176.444 174.700 -0.172 0.000 1.037 432 T CA 2.342 64.379 62.100 -0.105 0.000 1.146 432 T CB -1.292 67.521 68.868 -0.091 0.000 0.865 432 T HN 0.336 nan 8.240 nan 0.000 0.435 433 T N 0.026 114.445 114.554 -0.226 0.000 2.821 433 T HA -0.113 4.236 4.350 -0.001 0.000 0.267 433 T C 2.266 176.697 174.700 -0.448 0.000 1.046 433 T CA 1.170 63.028 62.100 -0.404 0.000 1.139 433 T CB -1.251 67.388 68.868 -0.383 0.000 0.871 433 T HN 0.407 nan 8.240 nan 0.000 0.454 434 C N 1.191 120.351 119.300 -0.233 0.000 2.413 434 C HA 0.031 4.490 4.460 -0.001 0.000 0.276 434 C C 3.029 177.985 174.990 -0.057 0.000 1.236 434 C CA 0.867 59.817 59.018 -0.114 0.000 1.735 434 C CB -1.178 26.502 27.740 -0.099 0.000 2.031 434 C HN 0.611 nan 8.230 nan 0.000 0.474 435 R N 1.142 121.589 120.500 -0.088 0.000 2.080 435 R HA -0.141 4.198 4.340 -0.001 0.000 0.236 435 R C 2.006 178.290 176.300 -0.027 0.000 1.137 435 R CA 1.972 58.038 56.100 -0.056 0.000 0.943 435 R CB -0.386 29.873 30.300 -0.067 0.000 0.846 435 R HN 0.537 nan 8.270 nan 0.000 0.431 436 N N 0.142 118.781 118.700 -0.101 0.000 2.069 436 N HA -0.174 4.566 4.740 -0.001 0.000 0.191 436 N C 1.681 177.183 175.510 -0.013 0.000 1.031 436 N CA 1.623 54.621 53.050 -0.088 0.000 0.852 436 N CB -0.749 37.646 38.487 -0.154 0.000 1.018 436 N HN 0.526 nan 8.380 nan 0.000 0.423 437 H N -1.289 117.750 119.070 -0.051 0.000 2.352 437 H HA -0.139 4.416 4.556 -0.001 0.000 0.299 437 H C 1.735 177.002 175.328 -0.102 0.000 1.097 437 H CA 1.237 57.234 56.048 -0.085 0.000 1.311 437 H CB -0.102 29.603 29.762 -0.094 0.000 1.377 437 H HN 0.248 nan 8.280 nan 0.000 0.504 438 Y N 1.332 121.608 120.300 -0.040 0.000 2.114 438 Y HA -0.246 4.303 4.550 -0.001 0.000 0.284 438 Y C 2.300 178.094 175.900 -0.177 0.000 1.143 438 Y CA 1.404 59.430 58.100 -0.124 0.000 1.135 438 Y CB -0.223 38.181 38.460 -0.093 0.000 0.980 438 Y HN 0.051 nan 8.280 nan 0.000 0.499 439 L N -0.340 120.952 121.223 0.114 0.000 2.093 439 L HA -0.206 4.134 4.340 -0.001 0.000 0.208 439 L C 2.272 179.080 176.870 -0.104 0.000 1.085 439 L CA 1.612 56.459 54.840 0.012 0.000 0.755 439 L CB -0.575 41.496 42.059 0.020 0.000 0.904 439 L HN 0.268 nan 8.230 nan 0.000 0.435 440 E N -0.088 120.054 120.200 -0.097 0.000 2.077 440 E HA -0.244 4.105 4.350 -0.001 0.000 0.193 440 E C 2.301 178.747 176.600 -0.256 0.000 0.989 440 E CA 1.017 57.341 56.400 -0.126 0.000 0.800 440 E CB -0.046 29.618 29.700 -0.061 0.000 0.746 440 E HN 0.275 nan 8.360 nan 0.000 0.452 441 R N 0.392 120.663 120.500 -0.381 0.000 2.073 441 R HA -0.134 4.205 4.340 -0.001 0.000 0.234 441 R C 2.371 178.074 176.300 -0.995 0.000 1.134 441 R CA 1.675 57.356 56.100 -0.699 0.000 0.952 441 R CB -0.181 29.625 30.300 -0.823 0.000 0.850 441 R HN 0.014 nan 8.270 nan 0.000 0.433 442 S N 0.127 115.366 115.700 -0.768 0.000 2.353 442 S HA -0.133 4.336 4.470 -0.001 0.000 0.222 442 S C 1.951 176.387 174.600 -0.273 0.000 1.035 442 S CA 1.790 59.672 58.200 -0.530 0.000 1.025 442 S CB -0.157 62.886 63.200 -0.261 0.000 0.902 442 S HN 0.426 nan 8.310 nan 0.000 0.440 443 S N 1.031 116.602 115.700 -0.215 0.000 2.382 443 S HA -0.094 4.375 4.470 -0.001 0.000 0.228 443 S C 1.869 176.413 174.600 -0.094 0.000 1.027 443 S CA 1.023 59.148 58.200 -0.125 0.000 0.991 443 S CB -0.265 62.881 63.200 -0.091 0.000 0.823 443 S HN 0.458 nan 8.310 nan 0.000 0.469 444 K N 0.076 120.388 120.400 -0.146 0.000 2.032 444 K HA -0.172 4.148 4.320 -0.001 0.000 0.209 444 K C 1.792 178.430 176.600 0.064 0.000 1.048 444 K CA 1.455 57.698 56.287 -0.072 0.000 0.927 444 K CB -0.239 32.184 32.500 -0.128 0.000 0.712 444 K HN 0.367 nan 8.250 nan 0.000 0.441 445 W N 1.083 122.331 121.300 -0.086 0.000 2.335 445 W HA -0.157 4.503 4.660 -0.001 0.000 0.311 445 W C 2.262 178.723 176.519 -0.097 0.000 1.213 445 W CA 0.513 57.806 57.345 -0.087 0.000 1.274 445 W CB -1.158 28.244 29.460 -0.097 0.000 1.148 445 W HN -0.076 nan 8.180 nan 0.000 0.498 446 V N 0.626 120.612 119.914 0.119 0.000 2.295 446 V HA -0.306 3.813 4.120 -0.001 0.000 0.246 446 V C 2.168 178.267 176.094 0.009 0.000 1.049 446 V CA 1.849 64.144 62.300 -0.008 0.000 1.024 446 V CB -0.947 30.799 31.823 -0.128 0.000 0.648 446 V HN 0.059 nan 8.190 nan 0.000 0.447 447 I N -0.356 120.224 120.570 0.017 0.000 2.226 447 I HA -0.267 3.902 4.170 -0.001 0.000 0.245 447 I C 2.758 178.883 176.117 0.014 0.000 1.100 447 I CA 1.324 62.630 61.300 0.011 0.000 1.374 447 I CB -0.646 37.356 38.000 0.003 0.000 1.057 447 I HN 0.269 nan 8.210 nan 0.000 0.413 448 Q N 0.080 119.901 119.800 0.034 0.000 2.297 448 Q HA -0.130 4.210 4.340 -0.001 0.000 0.208 448 Q C 1.548 177.554 176.000 0.009 0.000 0.981 448 Q CA 1.014 56.835 55.803 0.030 0.000 0.876 448 Q CB -0.748 28.027 28.738 0.062 0.000 0.921 448 Q HN 0.613 nan 8.270 nan 0.000 0.446 449 N N -1.439 117.262 118.700 0.002 0.000 2.235 449 N HA 0.185 4.924 4.740 -0.001 0.000 0.209 449 N C 0.974 176.468 175.510 -0.027 0.000 1.122 449 N CA 0.713 53.750 53.050 -0.023 0.000 0.845 449 N CB 1.340 39.797 38.487 -0.049 0.000 1.004 449 N HN 0.515 nan 8.380 nan 0.000 0.499 450 G N 0.222 109.012 108.800 -0.017 0.000 2.213 450 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.236 450 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.236 450 G C 0.517 175.402 174.900 -0.025 0.000 0.991 450 G CA -0.142 44.946 45.100 -0.022 0.000 0.629 450 G HN 0.499 nan 8.290 nan 0.000 0.517 451 G N -0.597 108.207 108.800 0.006 0.000 2.554 451 G HA2 0.541 4.500 3.960 -0.001 0.000 0.238 451 G HA3 0.541 4.500 3.960 -0.001 0.000 0.238 451 G C -0.224 174.684 174.900 0.014 0.000 1.259 451 G CA 0.530 45.677 45.100 0.078 0.000 0.843 451 G HN 1.067 nan 8.290 nan 0.000 0.582 452 V N 2.391 122.277 119.914 -0.048 0.000 2.487 452 V HA 0.392 4.512 4.120 -0.001 0.000 0.298 452 V C -0.091 175.997 176.094 -0.010 0.000 1.028 452 V CA -0.480 61.729 62.300 -0.152 0.000 0.860 452 V CB 1.555 33.053 31.823 -0.542 0.000 0.991 452 V HN 0.591 nan 8.190 nan 0.000 0.427 453 I N 3.861 124.459 120.570 0.046 0.000 2.389 453 I HA 0.394 4.563 4.170 -0.001 0.000 0.288 453 I C -0.442 175.716 176.117 0.069 0.000 0.999 453 I CA -0.694 60.670 61.300 0.105 0.000 1.129 453 I CB 1.673 39.729 38.000 0.092 0.000 1.288 453 I HN 0.494 nan 8.210 nan 0.000 0.444 454 D N 5.344 125.799 120.400 0.092 0.000 2.414 454 D HA 0.038 4.678 4.640 -0.001 0.000 0.242 454 D C 0.332 176.664 176.300 0.054 0.000 1.129 454 D CA 0.400 54.446 54.000 0.077 0.000 0.885 454 D CB 0.389 41.243 40.800 0.090 0.000 1.198 454 D HN 0.495 nan 8.370 nan 0.000 0.437 455 N N 1.873 120.598 118.700 0.041 0.000 2.727 455 N HA -0.225 4.515 4.740 -0.001 0.000 0.249 455 N C -0.564 174.960 175.510 0.022 0.000 1.048 455 N CA 0.452 53.519 53.050 0.028 0.000 0.714 455 N CB -0.594 37.908 38.487 0.026 0.000 0.959 455 N HN 0.359 nan 8.380 nan 0.000 0.544 456 Q N -3.981 115.832 119.800 0.020 0.000 2.461 456 Q HA -0.201 4.139 4.340 -0.001 0.000 0.273 456 Q C 0.887 176.895 176.000 0.012 0.000 1.163 456 Q CA 1.457 57.267 55.803 0.012 0.000 0.929 456 Q CB -2.034 26.707 28.738 0.005 0.000 1.334 456 Q HN 0.727 nan 8.270 nan 0.000 0.499 457 G N -0.097 108.717 108.800 0.024 0.000 2.683 457 G HA2 0.483 4.443 3.960 -0.001 0.000 0.260 457 G HA3 0.483 4.443 3.960 -0.001 0.000 0.260 457 G C -0.039 174.869 174.900 0.013 0.000 1.238 457 G CA -0.561 44.554 45.100 0.024 0.000 0.934 457 G HN 0.151 nan 8.290 nan 0.000 0.534 458 L N -0.356 120.872 121.223 0.009 0.000 2.408 458 L HA 0.538 4.878 4.340 -0.001 0.000 0.268 458 L C 0.042 176.907 176.870 -0.008 0.000 0.986 458 L CA -1.073 53.762 54.840 -0.009 0.000 0.820 458 L CB 2.206 44.256 42.059 -0.016 0.000 1.303 458 L HN 0.521 nan 8.230 nan 0.000 0.411 459 V N -0.685 119.209 119.914 -0.034 0.000 3.103 459 V HA 0.661 4.780 4.120 -0.001 0.000 0.318 459 V C -0.710 175.363 176.094 -0.035 0.000 1.114 459 V CA -0.715 61.558 62.300 -0.046 0.000 1.020 459 V CB 2.021 33.765 31.823 -0.132 0.000 1.085 459 V HN 0.870 nan 8.190 nan 0.000 0.446 460 E N 0.612 120.806 120.200 -0.009 0.000 2.187 460 E HA 0.636 4.986 4.350 -0.001 0.000 0.268 460 E C -1.808 174.820 176.600 0.047 0.000 0.896 460 E CA -0.759 55.676 56.400 0.058 0.000 0.766 460 E CB 2.317 32.071 29.700 0.089 0.000 1.142 460 E HN 0.658 nan 8.360 nan 0.000 0.408 461 V N 4.144 124.111 119.914 0.088 0.000 2.394 461 V HA 0.118 4.238 4.120 -0.001 0.000 0.282 461 V C -0.057 176.141 176.094 0.174 0.000 1.031 461 V CA -0.686 61.688 62.300 0.124 0.000 0.881 461 V CB 1.440 33.391 31.823 0.214 0.000 0.982 461 V HN 0.743 nan 8.190 nan 0.000 0.451 462 D N 3.326 123.817 120.400 0.150 0.000 2.345 462 D HA 0.108 4.747 4.640 -0.001 0.000 0.247 462 D C 1.211 177.603 176.300 0.152 0.000 1.108 462 D CA 0.279 54.368 54.000 0.147 0.000 0.894 462 D CB 1.918 42.788 40.800 0.116 0.000 1.203 462 D HN 0.404 nan 8.370 nan 0.000 0.430 463 S N 2.517 118.306 115.700 0.148 0.000 2.419 463 S HA -0.168 4.302 4.470 -0.001 0.000 0.233 463 S C 1.615 176.288 174.600 0.123 0.000 1.016 463 S CA 0.947 59.227 58.200 0.133 0.000 0.974 463 S CB -0.121 63.149 63.200 0.117 0.000 0.786 463 S HN 0.583 nan 8.310 nan 0.000 0.492 464 K N 0.359 120.824 120.400 0.109 0.000 2.152 464 K HA -0.108 4.212 4.320 -0.001 0.000 0.206 464 K C 1.745 178.393 176.600 0.080 0.000 1.048 464 K CA 1.657 57.997 56.287 0.088 0.000 0.933 464 K CB -0.155 32.392 32.500 0.078 0.000 0.721 464 K HN 0.303 nan 8.250 nan 0.000 0.447 465 T N -0.858 113.756 114.554 0.100 0.000 2.814 465 T HA -0.003 4.347 4.350 -0.001 0.000 0.254 465 T C 0.608 175.377 174.700 0.115 0.000 1.037 465 T CA 0.730 62.899 62.100 0.114 0.000 1.143 465 T CB 0.153 69.126 68.868 0.174 0.000 0.866 465 T HN 0.091 nan 8.240 nan 0.000 0.431 466 S N -0.881 114.886 115.700 0.112 0.000 2.575 466 S HA 0.446 4.916 4.470 -0.001 0.000 0.278 466 S C -0.207 174.421 174.600 0.047 0.000 1.139 466 S CA -0.859 57.366 58.200 0.041 0.000 0.954 466 S CB 1.197 64.367 63.200 -0.050 0.000 1.054 466 S HN 0.345 nan 8.310 nan 0.000 0.483 467 Y N 4.311 124.549 120.300 -0.103 0.000 2.130 467 Y HA 0.312 4.862 4.550 -0.001 0.000 0.287 467 Y C 1.548 177.366 175.900 -0.136 0.000 1.124 467 Y CA 2.065 60.123 58.100 -0.069 0.000 1.118 467 Y CB -0.035 38.383 38.460 -0.071 0.000 0.994 467 Y HN 0.707 nan 8.280 nan 0.000 0.497 468 G N -1.862 106.798 108.800 -0.233 0.000 4.683 468 G HA2 0.419 4.379 3.960 -0.001 0.000 0.273 468 G HA3 0.419 4.379 3.960 -0.001 0.000 0.273 468 G C 0.563 174.592 174.900 -1.453 0.000 1.065 468 G CA 0.013 44.747 45.100 -0.610 0.000 0.837 468 G HN 0.898 nan 8.290 nan 0.000 0.526 469 G N 0.365 108.040 108.800 -1.876 0.000 2.195 469 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.224 469 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.224 469 G C 0.382 174.895 174.900 -0.645 0.000 0.990 469 G CA 0.230 44.319 45.100 -1.685 0.000 0.639 469 G HN 0.855 nan 8.290 nan 0.000 0.514 470 E N 1.108 121.058 120.200 -0.416 0.000 2.345 470 E HA 0.489 4.839 4.350 -0.001 0.000 0.259 470 E C 1.149 177.695 176.600 -0.090 0.000 1.117 470 E CA 0.280 56.564 56.400 -0.193 0.000 0.913 470 E CB 0.623 30.245 29.700 -0.129 0.000 1.057 470 E HN 1.669 nan 8.360 nan 0.000 0.432 471 G N 1.432 110.223 108.800 -0.015 0.000 2.225 471 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.267 471 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.267 471 G C 0.428 175.459 174.900 0.218 0.000 1.024 471 G CA 0.652 45.801 45.100 0.081 0.000 0.784 471 G HN 0.452 nan 8.290 nan 0.000 0.507 472 L N -0.876 120.413 121.223 0.110 0.000 2.728 472 L HA 0.247 4.587 4.340 -0.001 0.000 0.238 472 L C 2.058 178.872 176.870 -0.093 0.000 1.143 472 L CA 0.229 55.084 54.840 0.025 0.000 0.937 472 L CB 0.228 42.242 42.059 -0.075 0.000 1.225 472 L HN 0.175 nan 8.230 nan 0.000 0.507 473 E N 0.711 120.941 120.200 0.050 0.000 2.160 473 E HA -0.254 4.096 4.350 -0.001 0.000 0.195 473 E C 1.774 178.398 176.600 0.039 0.000 0.991 473 E CA 1.460 57.878 56.400 0.029 0.000 0.810 473 E CB -0.328 29.410 29.700 0.063 0.000 0.742 473 E HN 0.611 nan 8.360 nan 0.000 0.466 474 F N 0.019 119.997 119.950 0.046 0.000 2.449 474 F HA -0.111 4.416 4.527 -0.001 0.000 0.299 474 F C 1.777 177.636 175.800 0.098 0.000 1.092 474 F CA 0.745 58.782 58.000 0.062 0.000 1.446 474 F CB -0.741 38.296 39.000 0.061 0.000 1.084 474 F HN 0.005 nan 8.300 nan 0.000 0.567 475 V N -0.969 118.592 119.914 -0.589 0.000 3.623 475 V HA 0.072 4.192 4.120 -0.001 0.000 0.271 475 V C 0.805 176.857 176.094 -0.070 0.000 1.248 475 V CA 0.060 62.172 62.300 -0.314 0.000 1.156 475 V CB -1.715 29.931 31.823 -0.295 0.000 0.870 475 V HN 0.483 nan 8.190 nan 0.000 0.453 476 N N 1.330 119.994 118.700 -0.060 0.000 2.359 476 N HA 0.181 4.920 4.740 -0.001 0.000 0.261 476 N C 1.347 176.847 175.510 -0.016 0.000 1.267 476 N CA 0.968 54.004 53.050 -0.024 0.000 0.864 476 N CB 0.170 38.654 38.487 -0.005 0.000 1.063 476 N HN 0.710 nan 8.380 nan 0.000 0.474 477 G N 2.343 111.123 108.800 -0.033 0.000 2.196 477 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.268 477 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.268 477 G C 0.195 175.072 174.900 -0.037 0.000 0.975 477 G CA 0.736 45.818 45.100 -0.031 0.000 0.648 477 G HN 0.680 nan 8.290 nan 0.000 0.538 478 K N 0.295 120.641 120.400 -0.089 0.000 2.118 478 K HA 0.544 4.864 4.320 -0.001 0.000 0.267 478 K C -0.232 176.130 176.600 -0.397 0.000 0.991 478 K CA -0.789 55.386 56.287 -0.186 0.000 0.916 478 K CB 0.394 32.737 32.500 -0.262 0.000 1.041 478 K HN 0.314 nan 8.250 nan 0.000 0.455 479 H N 1.857 120.631 119.070 -0.494 0.000 2.463 479 H HA 0.367 4.922 4.556 -0.001 0.000 0.332 479 H C -1.060 173.856 175.328 -0.687 0.000 1.127 479 H CA -0.046 55.757 56.048 -0.409 0.000 1.238 479 H CB 0.642 30.286 29.762 -0.197 0.000 1.478 479 H HN 0.326 nan 8.280 nan 0.000 0.499 480 F N 0.524 120.521 119.950 0.080 0.000 2.593 480 F HA 0.413 4.939 4.527 -0.001 0.000 0.320 480 F C 0.105 175.937 175.800 0.054 0.000 1.060 480 F CA -1.036 56.997 58.000 0.056 0.000 0.940 480 F CB 1.675 40.687 39.000 0.021 0.000 1.268 480 F HN 0.292 nan 8.300 nan 0.000 0.475 481 K N 1.458 122.013 120.400 0.260 0.000 2.292 481 K HA 0.349 4.669 4.320 -0.001 0.000 0.257 481 K C -0.602 176.071 176.600 0.122 0.000 0.940 481 K CA -0.833 55.543 56.287 0.149 0.000 0.811 481 K CB 1.178 33.742 32.500 0.108 0.000 1.120 481 K HN 0.659 nan 8.250 nan 0.000 0.428 482 N N 2.655 121.405 118.700 0.083 0.000 2.132 482 N HA -0.111 4.628 4.740 -0.001 0.000 0.280 482 N C 0.720 176.259 175.510 0.049 0.000 1.318 482 N CA 2.382 55.464 53.050 0.054 0.000 0.822 482 N CB 0.084 38.593 38.487 0.037 0.000 1.058 482 N HN 0.866 nan 8.380 nan 0.000 0.489 483 G N 1.969 110.792 108.800 0.038 0.000 2.176 483 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.232 483 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.232 483 G C -0.310 174.616 174.900 0.045 0.000 0.986 483 G CA 0.072 45.192 45.100 0.033 0.000 0.643 483 G HN 0.678 nan 8.290 nan 0.000 0.522 484 D N 0.236 120.675 120.400 0.065 0.000 2.362 484 D HA 0.525 5.164 4.640 -0.001 0.000 0.242 484 D C 0.825 177.148 176.300 0.038 0.000 1.132 484 D CA 0.332 54.384 54.000 0.086 0.000 0.907 484 D CB 0.887 41.791 40.800 0.174 0.000 1.195 484 D HN 0.331 nan 8.370 nan 0.000 0.429 485 I N 2.253 122.855 120.570 0.054 0.000 2.389 485 I HA 0.343 4.513 4.170 -0.001 0.000 0.288 485 I C 0.119 176.267 176.117 0.052 0.000 0.999 485 I CA -0.534 60.792 61.300 0.043 0.000 1.129 485 I CB 1.128 39.163 38.000 0.058 0.000 1.288 485 I HN 0.089 nan 8.210 nan 0.000 0.444 486 I N 0.000 120.580 120.570 0.017 0.000 2.984 486 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 486 I CA 0.000 61.330 61.300 0.049 0.000 1.566 486 I CB 0.000 37.910 38.000 -0.150 0.000 1.214 486 I HN 0.000 nan 8.210 nan 0.000 0.494