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 2ban_1_B DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWY 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 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.328 177.300 0.047 0.000 1.155 1 P CA 0.000 63.135 63.100 0.058 0.000 0.800 1 P CB 0.000 31.736 31.700 0.060 0.000 0.726 2 I N -0.387 120.208 120.570 0.042 0.000 3.439 2 I HA 0.157 4.327 4.170 -0.000 0.000 0.321 2 I C -0.126 176.012 176.117 0.035 0.000 1.435 2 I CA 0.187 61.508 61.300 0.035 0.000 0.914 2 I CB 0.949 38.965 38.000 0.027 0.000 1.807 2 I HN 0.247 nan 8.210 nan 0.000 0.681 3 S N 2.912 118.637 115.700 0.042 0.000 2.406 3 S HA 0.503 4.973 4.470 -0.000 0.000 0.224 3 S C -2.431 172.199 174.600 0.051 0.000 1.426 3 S CA -1.107 57.118 58.200 0.041 0.000 1.179 3 S CB 0.228 63.450 63.200 0.036 0.000 1.042 3 S HN -0.041 nan 8.310 nan 0.000 0.479 4 P HA 0.154 nan 4.420 nan 0.000 0.258 4 P C -0.681 176.653 177.300 0.056 0.000 1.187 4 P CA 0.330 63.462 63.100 0.054 0.000 0.767 4 P CB 0.143 31.871 31.700 0.046 0.000 0.770 5 I N 1.715 122.326 120.570 0.070 0.000 2.707 5 I HA 0.214 4.384 4.170 -0.000 0.000 0.309 5 I C 0.803 176.964 176.117 0.073 0.000 1.001 5 I CA -1.208 60.135 61.300 0.071 0.000 1.129 5 I CB 1.463 39.515 38.000 0.087 0.000 1.308 5 I HN 0.224 nan 8.210 nan 0.000 0.466 6 E N 3.568 123.807 120.200 0.065 0.000 2.491 6 E HA -0.029 4.321 4.350 -0.000 0.000 0.250 6 E C -0.305 176.343 176.600 0.080 0.000 1.061 6 E CA -0.059 56.379 56.400 0.064 0.000 0.942 6 E CB 0.183 29.914 29.700 0.053 0.000 0.957 6 E HN 0.538 nan 8.360 nan 0.000 0.480 7 T N 1.606 116.212 114.554 0.086 0.000 2.851 7 T HA 0.250 4.600 4.350 -0.000 0.000 0.298 7 T C 0.075 174.838 174.700 0.105 0.000 0.977 7 T CA -0.909 61.253 62.100 0.104 0.000 1.126 7 T CB 0.887 69.818 68.868 0.106 0.000 0.916 7 T HN 0.189 nan 8.240 nan 0.000 0.529 8 V N 7.225 127.215 119.914 0.127 0.000 2.370 8 V HA 0.230 4.350 4.120 -0.000 0.000 0.257 8 V C -1.888 174.309 176.094 0.171 0.000 1.064 8 V CA -1.645 60.741 62.300 0.144 0.000 0.975 8 V CB 0.029 31.962 31.823 0.184 0.000 1.067 8 V HN 0.842 nan 8.190 nan 0.000 0.485 9 P HA -0.009 nan 4.420 nan 0.000 0.256 9 P C -0.515 176.904 177.300 0.198 0.000 1.173 9 P CA 0.552 63.732 63.100 0.133 0.000 0.768 9 P CB 0.232 31.992 31.700 0.100 0.000 0.758 10 V N 5.139 125.104 119.914 0.085 0.000 2.435 10 V HA 0.523 4.643 4.120 -0.000 0.000 0.290 10 V C 0.230 176.299 176.094 -0.041 0.000 1.030 10 V CA -0.529 61.739 62.300 -0.053 0.000 0.881 10 V CB 1.722 32.986 31.823 -0.930 0.000 0.983 10 V HN 0.466 nan 8.190 nan 0.000 0.445 11 K N 5.518 125.975 120.400 0.094 0.000 2.482 11 K HA 0.601 4.920 4.320 -0.000 0.000 0.251 11 K C -0.762 175.870 176.600 0.052 0.000 0.936 11 K CA -0.664 55.674 56.287 0.086 0.000 0.791 11 K CB 1.875 34.435 32.500 0.100 0.000 1.213 11 K HN 0.486 nan 8.250 nan 0.000 0.428 12 L N 1.021 122.219 121.223 -0.042 0.000 2.348 12 L HA 0.160 4.500 4.340 -0.000 0.000 0.200 12 L C 1.526 178.306 176.870 -0.150 0.000 1.154 12 L CA 0.124 54.902 54.840 -0.104 0.000 0.856 12 L CB -0.526 41.405 42.059 -0.213 0.000 1.297 12 L HN 0.913 nan 8.230 nan 0.000 0.550 13 K N -0.039 120.200 120.400 -0.269 0.000 2.202 13 K HA 0.247 4.567 4.320 -0.000 0.000 0.238 13 K C -2.308 174.037 176.600 -0.426 0.000 1.070 13 K CA -1.008 54.872 56.287 -0.678 0.000 0.859 13 K CB -1.610 30.557 32.500 -0.555 0.000 1.140 13 K HN 0.443 nan 8.250 nan 0.000 0.515 14 P HA 0.244 nan 4.420 nan 0.000 0.271 14 P C 0.523 177.758 177.300 -0.108 0.000 1.220 14 P CA 1.065 64.045 63.100 -0.200 0.000 0.768 14 P CB 0.868 32.481 31.700 -0.145 0.000 0.848 15 G N 2.031 110.794 108.800 -0.061 0.000 2.416 15 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.301 15 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.301 15 G C 0.021 174.910 174.900 -0.019 0.000 0.985 15 G CA 0.163 45.249 45.100 -0.023 0.000 0.934 15 G HN 0.459 nan 8.290 nan 0.000 0.513 16 M N -0.135 119.440 119.600 -0.042 0.000 2.423 16 M HA 0.652 5.132 4.480 -0.000 0.000 0.335 16 M C -0.330 175.963 176.300 -0.012 0.000 1.177 16 M CA -1.086 54.194 55.300 -0.033 0.000 1.038 16 M CB 1.671 34.225 32.600 -0.076 0.000 1.641 16 M HN 0.146 nan 8.290 nan 0.000 0.455 17 D N 1.789 122.201 120.400 0.020 0.000 2.342 17 D HA 0.622 5.262 4.640 -0.000 0.000 0.243 17 D C 0.015 176.330 176.300 0.025 0.000 1.019 17 D CA -0.096 53.949 54.000 0.074 0.000 0.864 17 D CB 1.502 42.396 40.800 0.156 0.000 1.315 17 D HN 0.792 nan 8.370 nan 0.000 0.468 18 G N 2.228 111.012 108.800 -0.028 0.000 2.902 18 G HA2 0.128 4.088 3.960 -0.000 0.000 0.240 18 G HA3 0.128 4.088 3.960 -0.000 0.000 0.240 18 G C -2.111 172.806 174.900 0.028 0.000 1.244 18 G CA -0.737 44.248 45.100 -0.191 0.000 0.862 18 G HN 0.486 nan 8.290 nan 0.000 0.603 19 P HA 0.296 nan 4.420 nan 0.000 0.278 19 P C -0.969 176.455 177.300 0.207 0.000 1.238 19 P CA -0.235 62.938 63.100 0.122 0.000 0.794 19 P CB 1.183 32.942 31.700 0.099 0.000 0.955 20 K N 1.454 121.934 120.400 0.134 0.000 2.992 20 K HA 0.355 4.675 4.320 -0.000 0.000 0.178 20 K C -0.932 175.679 176.600 0.018 0.000 1.122 20 K CA -0.427 55.911 56.287 0.085 0.000 0.926 20 K CB 1.139 33.682 32.500 0.071 0.000 1.121 20 K HN 0.179 nan 8.250 nan 0.000 0.610 21 V N 1.876 121.790 119.914 -0.000 0.000 2.547 21 V HA 0.288 4.408 4.120 -0.000 0.000 0.299 21 V C 0.143 176.143 176.094 -0.158 0.000 1.040 21 V CA -1.075 61.191 62.300 -0.056 0.000 0.913 21 V CB 1.518 33.337 31.823 -0.007 0.000 0.992 21 V HN 0.527 nan 8.190 nan 0.000 0.449 22 K N 3.394 123.625 120.400 -0.281 0.000 2.447 22 K HA 0.132 4.452 4.320 -0.000 0.000 0.281 22 K C -0.136 176.105 176.600 -0.599 0.000 1.031 22 K CA -0.200 55.821 56.287 -0.442 0.000 1.019 22 K CB 0.726 32.864 32.500 -0.604 0.000 0.918 22 K HN 0.569 nan 8.250 nan 0.000 0.476 23 Q N 5.092 124.651 119.800 -0.402 0.000 2.472 23 Q HA 0.067 4.407 4.340 -0.000 0.000 0.227 23 Q C -1.060 174.770 176.000 -0.283 0.000 1.156 23 Q CA -0.317 55.295 55.803 -0.317 0.000 0.924 23 Q CB 0.019 28.650 28.738 -0.179 0.000 1.354 23 Q HN 0.571 nan 8.270 nan 0.000 0.525 24 W N 4.942 126.215 121.300 -0.044 0.000 2.317 24 W HA -0.016 4.644 4.660 -0.000 0.000 0.350 24 W C -1.519 174.974 176.519 -0.044 0.000 1.258 24 W CA -0.650 56.701 57.345 0.010 0.000 1.336 24 W CB -0.572 28.973 29.460 0.142 0.000 1.201 24 W HN 0.454 nan 8.180 nan 0.000 0.599 25 P HA 0.285 nan 4.420 nan 0.000 0.275 25 P C -0.827 176.495 177.300 0.038 0.000 1.228 25 P CA 0.050 63.194 63.100 0.072 0.000 0.786 25 P CB 1.093 32.824 31.700 0.053 0.000 0.927 26 L N 0.840 122.046 121.223 -0.029 0.000 2.309 26 L HA 0.456 4.796 4.340 -0.000 0.000 0.261 26 L C 0.738 177.546 176.870 -0.104 0.000 1.021 26 L CA -0.911 53.883 54.840 -0.077 0.000 0.823 26 L CB 1.852 43.850 42.059 -0.101 0.000 1.366 26 L HN 0.249 nan 8.230 nan 0.000 0.423 27 T N -0.852 113.621 114.554 -0.135 0.000 2.856 27 T HA -0.029 4.320 4.350 -0.000 0.000 0.306 27 T C 1.039 175.663 174.700 -0.127 0.000 1.062 27 T CA -0.217 61.809 62.100 -0.124 0.000 1.083 27 T CB 1.241 70.033 68.868 -0.126 0.000 0.984 27 T HN 0.751 nan 8.240 nan 0.000 0.542 28 E N 0.874 121.015 120.200 -0.097 0.000 2.110 28 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 28 E C 2.012 178.536 176.600 -0.128 0.000 0.988 28 E CA 1.373 57.716 56.400 -0.094 0.000 0.804 28 E CB 0.015 29.678 29.700 -0.062 0.000 0.745 28 E HN 0.809 nan 8.360 nan 0.000 0.458 29 E N 0.680 120.804 120.200 -0.126 0.000 2.049 29 E HA -0.276 4.074 4.350 -0.000 0.000 0.198 29 E C 1.913 178.286 176.600 -0.379 0.000 1.007 29 E CA 1.811 58.115 56.400 -0.159 0.000 0.809 29 E CB 0.030 29.691 29.700 -0.064 0.000 0.749 29 E HN 0.193 nan 8.360 nan 0.000 0.450 30 K N -0.053 120.062 120.400 -0.475 0.000 2.148 30 K HA -0.094 4.226 4.320 -0.000 0.000 0.204 30 K C 2.250 178.589 176.600 -0.435 0.000 1.050 30 K CA 1.207 57.085 56.287 -0.683 0.000 0.942 30 K CB -0.123 32.062 32.500 -0.525 0.000 0.724 30 K HN 0.250 nan 8.250 nan 0.000 0.446 31 I N 1.742 122.149 120.570 -0.271 0.000 2.226 31 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 31 I C 2.118 178.132 176.117 -0.172 0.000 1.100 31 I CA 1.402 62.592 61.300 -0.182 0.000 1.374 31 I CB -0.172 37.753 38.000 -0.124 0.000 1.057 31 I HN 0.101 nan 8.210 nan 0.000 0.413 32 K N 0.896 121.187 120.400 -0.183 0.000 2.097 32 K HA -0.143 4.176 4.320 -0.000 0.000 0.206 32 K C 2.274 178.778 176.600 -0.160 0.000 1.049 32 K CA 1.468 57.675 56.287 -0.135 0.000 0.933 32 K CB -0.339 32.098 32.500 -0.104 0.000 0.717 32 K HN 0.328 nan 8.250 nan 0.000 0.442 33 A N 2.090 124.723 122.820 -0.312 0.000 1.841 33 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 33 A C 2.252 179.721 177.584 -0.192 0.000 1.199 33 A CA 1.387 53.210 52.037 -0.357 0.000 0.621 33 A CB -0.923 17.492 19.000 -0.974 0.000 0.835 33 A HN 0.155 nan 8.150 nan 0.000 0.445 34 L N -0.334 120.762 121.223 -0.211 0.000 2.013 34 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 34 L C 2.568 179.418 176.870 -0.033 0.000 1.073 34 L CA 1.501 56.278 54.840 -0.104 0.000 0.753 34 L CB -0.781 41.216 42.059 -0.104 0.000 0.890 34 L HN 0.283 nan 8.230 nan 0.000 0.432 35 V N -0.328 119.568 119.914 -0.030 0.000 2.287 35 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 35 V C 2.433 178.539 176.094 0.021 0.000 1.053 35 V CA 1.988 64.304 62.300 0.026 0.000 1.027 35 V CB -0.582 31.242 31.823 0.002 0.000 0.646 35 V HN 0.466 nan 8.190 nan 0.000 0.447 36 E N -0.071 120.125 120.200 -0.008 0.000 2.023 36 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 36 E C 2.217 178.822 176.600 0.009 0.000 1.003 36 E CA 1.891 58.295 56.400 0.006 0.000 0.809 36 E CB -0.281 29.427 29.700 0.012 0.000 0.755 36 E HN 0.555 nan 8.360 nan 0.000 0.449 37 I N 0.949 121.522 120.570 0.004 0.000 2.087 37 I HA -0.397 3.773 4.170 -0.000 0.000 0.240 37 I C 2.693 178.789 176.117 -0.035 0.000 1.054 37 I CA 1.172 62.476 61.300 0.006 0.000 1.311 37 I CB -0.588 37.417 38.000 0.009 0.000 1.024 37 I HN 0.281 nan 8.210 nan 0.000 0.402 38 C N 0.378 119.637 119.300 -0.068 0.000 2.429 38 C HA -0.149 4.311 4.460 -0.000 0.000 0.277 38 C C 3.001 177.884 174.990 -0.178 0.000 1.262 38 C CA 1.515 60.409 59.018 -0.206 0.000 1.733 38 C CB -1.309 26.288 27.740 -0.238 0.000 2.010 38 C HN 0.550 nan 8.230 nan 0.000 0.483 39 T N 0.491 115.030 114.554 -0.025 0.000 2.803 39 T HA -0.201 4.149 4.350 -0.000 0.000 0.269 39 T C 1.670 176.362 174.700 -0.014 0.000 1.052 39 T CA 1.896 64.007 62.100 0.020 0.000 1.136 39 T CB -0.232 68.661 68.868 0.041 0.000 0.864 39 T HN 0.584 nan 8.240 nan 0.000 0.467 40 E N 1.289 121.473 120.200 -0.026 0.000 2.033 40 E HA 0.063 4.413 4.350 -0.000 0.000 0.189 40 E C 2.141 178.715 176.600 -0.044 0.000 0.979 40 E CA 0.984 57.373 56.400 -0.018 0.000 0.802 40 E CB -0.381 29.321 29.700 0.003 0.000 0.763 40 E HN 0.464 nan 8.360 nan 0.000 0.449 41 M N 0.334 119.882 119.600 -0.085 0.000 2.149 41 M HA -0.170 4.310 4.480 -0.000 0.000 0.261 41 M C 2.302 178.518 176.300 -0.141 0.000 1.064 41 M CA 1.889 57.111 55.300 -0.129 0.000 1.102 41 M CB -0.370 32.115 32.600 -0.191 0.000 1.369 41 M HN 0.177 nan 8.290 nan 0.000 0.408 42 E N 0.961 121.067 120.200 -0.157 0.000 2.204 42 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 42 E C 1.706 178.282 176.600 -0.041 0.000 0.990 42 E CA 1.109 57.448 56.400 -0.102 0.000 0.821 42 E CB 0.184 29.860 29.700 -0.039 0.000 0.750 42 E HN 0.504 nan 8.360 nan 0.000 0.477 43 K N 0.134 120.514 120.400 -0.033 0.000 2.137 43 K HA -0.031 4.289 4.320 -0.000 0.000 0.202 43 K C 1.534 178.127 176.600 -0.012 0.000 1.052 43 K CA 0.971 57.251 56.287 -0.012 0.000 0.961 43 K CB 0.138 32.636 32.500 -0.003 0.000 0.741 43 K HN 0.108 nan 8.250 nan 0.000 0.452 44 E N 0.151 120.339 120.200 -0.021 0.000 2.485 44 E HA 0.013 4.363 4.350 -0.000 0.000 0.194 44 E C 0.713 177.301 176.600 -0.020 0.000 1.098 44 E CA 0.248 56.642 56.400 -0.010 0.000 0.878 44 E CB 0.162 29.860 29.700 -0.004 0.000 0.939 44 E HN 0.477 nan 8.360 nan 0.000 0.503 45 G N 1.853 110.636 108.800 -0.028 0.000 2.189 45 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.267 45 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.267 45 G C 0.969 175.846 174.900 -0.039 0.000 0.975 45 G CA 0.968 46.055 45.100 -0.023 0.000 0.644 45 G HN 0.323 nan 8.290 nan 0.000 0.537 46 K N -0.181 120.167 120.400 -0.087 0.000 2.103 46 K HA 0.093 4.413 4.320 -0.000 0.000 0.207 46 K C 1.572 178.131 176.600 -0.069 0.000 1.048 46 K CA 1.579 57.790 56.287 -0.128 0.000 0.930 46 K CB -0.091 32.215 32.500 -0.324 0.000 0.716 46 K HN 0.842 nan 8.250 nan 0.000 0.444 47 I N -3.870 116.619 120.570 -0.135 0.000 3.145 47 I HA 0.433 4.603 4.170 -0.000 0.000 0.313 47 I C -0.744 175.314 176.117 -0.097 0.000 1.122 47 I CA -0.992 60.205 61.300 -0.171 0.000 0.987 47 I CB 2.523 40.297 38.000 -0.378 0.000 1.236 47 I HN -0.292 nan 8.210 nan 0.000 0.453 48 S N 0.780 116.463 115.700 -0.029 0.000 2.697 48 S HA 0.539 5.009 4.470 -0.000 0.000 0.289 48 S C -0.981 173.709 174.600 0.150 0.000 1.149 48 S CA -0.963 57.271 58.200 0.057 0.000 0.850 48 S CB 2.132 65.336 63.200 0.007 0.000 1.151 48 S HN 0.533 nan 8.310 nan 0.000 0.491 49 K N 0.979 121.416 120.400 0.061 0.000 2.098 49 K HA 0.643 4.963 4.320 -0.000 0.000 0.258 49 K C -0.583 175.937 176.600 -0.134 0.000 0.973 49 K CA -0.397 55.822 56.287 -0.114 0.000 0.898 49 K CB 0.801 33.184 32.500 -0.195 0.000 1.057 49 K HN 0.452 nan 8.250 nan 0.000 0.447 50 I N -1.163 119.289 120.570 -0.196 0.000 3.436 50 I HA 0.562 4.732 4.170 -0.000 0.000 0.296 50 I C 0.625 176.644 176.117 -0.164 0.000 1.143 50 I CA -1.128 60.074 61.300 -0.164 0.000 1.009 50 I CB 1.476 39.371 38.000 -0.175 0.000 1.301 50 I HN 0.601 nan 8.210 nan 0.000 0.503 51 G N 0.004 108.718 108.800 -0.143 0.000 2.938 51 G HA2 0.546 4.506 3.960 -0.000 0.000 0.258 51 G HA3 0.546 4.506 3.960 -0.000 0.000 0.258 51 G C -2.168 172.646 174.900 -0.143 0.000 1.356 51 G CA -0.959 44.062 45.100 -0.133 0.000 1.052 51 G HN 0.482 nan 8.290 nan 0.000 0.550 52 P HA 0.012 nan 4.420 nan 0.000 0.236 52 P C 1.127 178.337 177.300 -0.150 0.000 1.177 52 P CA 0.634 63.652 63.100 -0.137 0.000 0.773 52 P CB 0.298 31.928 31.700 -0.116 0.000 0.878 53 E N -0.186 119.930 120.200 -0.139 0.000 2.515 53 E HA -0.101 4.249 4.350 -0.000 0.000 0.201 53 E C 0.111 176.592 176.600 -0.198 0.000 1.071 53 E CA 0.368 56.679 56.400 -0.148 0.000 0.880 53 E CB -0.668 28.963 29.700 -0.115 0.000 0.828 53 E HN 0.110 nan 8.360 nan 0.000 0.540 54 N N 1.903 120.474 118.700 -0.214 0.000 2.621 54 N HA 0.134 4.874 4.740 -0.000 0.000 0.237 54 N C -1.875 173.439 175.510 -0.327 0.000 0.997 54 N CA -1.787 51.104 53.050 -0.264 0.000 0.918 54 N CB 1.667 40.042 38.487 -0.186 0.000 1.122 54 N HN -0.046 nan 8.380 nan 0.000 0.510 55 P HA 0.045 nan 4.420 nan 0.000 0.245 55 P C -0.204 176.829 177.300 -0.444 0.000 1.203 55 P CA 0.271 63.078 63.100 -0.489 0.000 0.792 55 P CB 0.283 31.645 31.700 -0.564 0.000 0.997 56 Y N 1.277 121.507 120.300 -0.117 0.000 2.299 56 Y HA 0.439 4.989 4.550 -0.000 0.000 0.335 56 Y C 1.035 176.889 175.900 -0.077 0.000 1.287 56 Y CA -0.216 57.834 58.100 -0.082 0.000 1.424 56 Y CB 0.057 38.459 38.460 -0.096 0.000 1.326 56 Y HN -0.062 nan 8.280 nan 0.000 0.567 57 N N -1.075 117.711 118.700 0.145 0.000 2.827 57 N HA 0.343 5.083 4.740 -0.000 0.000 0.248 57 N C -2.011 173.535 175.510 0.060 0.000 1.074 57 N CA -0.427 52.656 53.050 0.055 0.000 1.042 57 N CB 1.283 39.758 38.487 -0.020 0.000 1.684 57 N HN 0.562 nan 8.380 nan 0.000 0.542 58 T N 2.845 117.432 114.554 0.055 0.000 2.861 58 T HA 0.587 4.937 4.350 -0.000 0.000 0.287 58 T C -2.736 171.938 174.700 -0.043 0.000 1.003 58 T CA -1.097 61.004 62.100 0.003 0.000 0.977 58 T CB 1.943 70.780 68.868 -0.051 0.000 0.996 58 T HN 0.279 nan 8.240 nan 0.000 0.448 59 P HA 0.332 nan 4.420 nan 0.000 0.270 59 P C -0.914 176.220 177.300 -0.277 0.000 1.223 59 P CA -0.500 62.513 63.100 -0.145 0.000 0.785 59 P CB 0.462 32.171 31.700 0.015 0.000 0.923 60 V N -1.735 117.876 119.914 -0.505 0.000 2.888 60 V HA 0.727 4.847 4.120 -0.000 0.000 0.309 60 V C -1.294 174.346 176.094 -0.756 0.000 1.114 60 V CA -0.843 61.170 62.300 -0.478 0.000 0.940 60 V CB 1.681 33.318 31.823 -0.310 0.000 1.021 60 V HN 0.269 nan 8.190 nan 0.000 0.426 61 F N 1.387 121.331 119.950 -0.010 0.000 2.588 61 F HA 0.934 5.461 4.527 -0.000 0.000 0.314 61 F C 0.412 176.164 175.800 -0.080 0.000 1.069 61 F CA -0.575 57.385 58.000 -0.067 0.000 0.931 61 F CB 2.333 41.257 39.000 -0.127 0.000 1.260 61 F HN 0.894 nan 8.300 nan 0.000 0.465 62 A N 2.998 125.862 122.820 0.073 0.000 2.304 62 A HA 0.913 5.233 4.320 -0.000 0.000 0.323 62 A C -0.756 176.942 177.584 0.190 0.000 1.195 62 A CA -0.550 51.514 52.037 0.046 0.000 0.826 62 A CB 0.605 19.464 19.000 -0.236 0.000 1.184 62 A HN 0.824 nan 8.150 nan 0.000 0.496 63 I N -1.461 119.297 120.570 0.313 0.000 3.102 63 I HA 0.607 4.777 4.170 -0.000 0.000 0.310 63 I C -1.136 175.112 176.117 0.218 0.000 1.246 63 I CA -1.155 60.299 61.300 0.257 0.000 0.979 63 I CB 2.373 40.433 38.000 0.100 0.000 1.267 63 I HN 0.441 nan 8.210 nan 0.000 0.451 64 K N 2.903 123.298 120.400 -0.009 0.000 2.235 64 K HA 0.418 4.738 4.320 -0.000 0.000 0.266 64 K C -0.160 176.387 176.600 -0.089 0.000 0.980 64 K CA -0.749 55.447 56.287 -0.151 0.000 0.849 64 K CB 2.628 34.900 32.500 -0.380 0.000 1.098 64 K HN 0.559 nan 8.250 nan 0.000 0.445 65 K N 1.770 122.129 120.400 -0.068 0.000 2.021 65 K HA -0.049 4.271 4.320 -0.000 0.000 0.205 65 K C 0.414 176.958 176.600 -0.094 0.000 1.047 65 K CA 1.241 57.481 56.287 -0.078 0.000 0.943 65 K CB 0.235 32.693 32.500 -0.071 0.000 0.725 65 K HN 0.297 nan 8.250 nan 0.000 0.439 66 K N 1.238 121.585 120.400 -0.089 0.000 2.965 66 K HA 0.026 4.346 4.320 -0.000 0.000 0.216 66 K C -0.669 175.882 176.600 -0.082 0.000 1.164 66 K CA 0.506 56.748 56.287 -0.077 0.000 1.153 66 K CB 0.622 33.081 32.500 -0.068 0.000 1.045 66 K HN 0.265 nan 8.250 nan 0.000 0.460 67 D N -1.298 119.040 120.400 -0.103 0.000 2.979 67 D HA -0.252 4.388 4.640 -0.000 0.000 0.208 67 D C -0.448 175.759 176.300 -0.155 0.000 1.122 67 D CA 1.542 55.466 54.000 -0.128 0.000 0.992 67 D CB -1.341 39.411 40.800 -0.081 0.000 1.117 67 D HN 0.127 nan 8.370 nan 0.000 0.397 68 S N -0.285 115.338 115.700 -0.129 0.000 2.536 68 S HA 0.084 4.554 4.470 -0.000 0.000 0.290 68 S C 2.002 176.497 174.600 -0.174 0.000 1.302 68 S CA 0.758 58.887 58.200 -0.119 0.000 1.037 68 S CB 0.812 63.958 63.200 -0.091 0.000 0.804 68 S HN 0.635 nan 8.310 nan 0.000 0.506 69 T N 1.527 115.998 114.554 -0.138 0.000 2.624 69 T HA -0.233 4.117 4.350 -0.000 0.000 0.266 69 T C 0.578 175.125 174.700 -0.254 0.000 1.050 69 T CA 1.361 63.366 62.100 -0.159 0.000 1.163 69 T CB -0.366 68.452 68.868 -0.084 0.000 0.861 69 T HN 0.550 nan 8.240 nan 0.000 0.443 70 K N 0.101 120.391 120.400 -0.184 0.000 2.132 70 K HA 0.439 4.759 4.320 -0.000 0.000 0.241 70 K C -0.412 176.056 176.600 -0.220 0.000 1.000 70 K CA -0.956 55.219 56.287 -0.187 0.000 0.911 70 K CB 0.774 33.297 32.500 0.038 0.000 1.093 70 K HN 0.351 nan 8.250 nan 0.000 0.460 71 W N 0.722 122.014 121.300 -0.013 0.000 2.030 71 W HA 0.289 4.949 4.660 -0.000 0.000 0.360 71 W C 0.501 177.016 176.519 -0.006 0.000 1.370 71 W CA -0.421 56.915 57.345 -0.015 0.000 1.433 71 W CB 0.303 29.752 29.460 -0.017 0.000 1.204 71 W HN 0.091 nan 8.180 nan 0.000 0.649 72 R N 0.854 121.524 120.500 0.282 0.000 2.673 72 R HA 0.256 4.595 4.340 -0.000 0.000 0.281 72 R C -1.000 175.395 176.300 0.160 0.000 0.991 72 R CA -1.402 54.798 56.100 0.166 0.000 0.896 72 R CB 2.064 32.425 30.300 0.103 0.000 1.201 72 R HN 0.491 nan 8.270 nan 0.000 0.457 73 K N 2.300 122.772 120.400 0.120 0.000 2.234 73 K HA 0.279 4.599 4.320 -0.000 0.000 0.282 73 K C -0.806 175.864 176.600 0.117 0.000 1.039 73 K CA -0.470 55.864 56.287 0.079 0.000 0.928 73 K CB 0.676 33.182 32.500 0.010 0.000 1.039 73 K HN 0.319 nan 8.250 nan 0.000 0.470 74 L N 6.033 127.340 121.223 0.140 0.000 2.353 74 L HA 0.301 4.641 4.340 -0.000 0.000 0.270 74 L C -1.488 175.520 176.870 0.230 0.000 1.003 74 L CA -0.550 54.421 54.840 0.219 0.000 0.862 74 L CB 1.465 43.692 42.059 0.279 0.000 1.221 74 L HN 0.381 nan 8.230 nan 0.000 0.430 75 V N 3.740 123.735 119.914 0.134 0.000 2.432 75 V HA 0.160 4.280 4.120 -0.000 0.000 0.271 75 V C 0.199 176.311 176.094 0.029 0.000 1.046 75 V CA -0.403 61.861 62.300 -0.060 0.000 0.945 75 V CB 1.174 32.811 31.823 -0.311 0.000 0.992 75 V HN 0.725 nan 8.190 nan 0.000 0.471 76 D N 4.196 124.662 120.400 0.110 0.000 2.608 76 D HA 0.142 4.782 4.640 -0.000 0.000 0.224 76 D C 0.509 176.879 176.300 0.118 0.000 1.123 76 D CA -0.169 53.973 54.000 0.236 0.000 1.030 76 D CB -0.235 40.858 40.800 0.489 0.000 1.093 76 D HN 0.416 nan 8.370 nan 0.000 0.497 77 F N 0.984 121.075 119.950 0.236 0.000 2.733 77 F HA 0.170 4.697 4.527 -0.000 0.000 0.301 77 F C 2.104 178.012 175.800 0.180 0.000 1.240 77 F CA 0.034 58.157 58.000 0.204 0.000 1.432 77 F CB -0.193 38.960 39.000 0.255 0.000 1.089 77 F HN 0.253 nan 8.300 nan 0.000 0.533 78 R N -0.049 120.620 120.500 0.281 0.000 2.200 78 R HA -0.218 4.122 4.340 -0.000 0.000 0.234 78 R C 2.018 178.412 176.300 0.156 0.000 1.127 78 R CA 1.398 57.603 56.100 0.174 0.000 0.989 78 R CB -0.007 30.320 30.300 0.046 0.000 0.869 78 R HN 0.250 nan 8.270 nan 0.000 0.459 79 E N 0.228 120.535 120.200 0.177 0.000 2.079 79 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 79 E C 1.562 178.257 176.600 0.157 0.000 0.961 79 E CA 0.352 56.837 56.400 0.141 0.000 0.823 79 E CB -0.214 29.557 29.700 0.118 0.000 0.789 79 E HN 0.117 nan 8.360 nan 0.000 0.459 80 L N 1.113 122.464 121.223 0.213 0.000 2.349 80 L HA -0.084 4.256 4.340 -0.000 0.000 0.220 80 L C 1.258 178.234 176.870 0.178 0.000 1.130 80 L CA 1.541 56.465 54.840 0.140 0.000 0.791 80 L CB -0.673 41.474 42.059 0.147 0.000 0.918 80 L HN 0.079 nan 8.230 nan 0.000 0.444 81 N N 0.550 119.404 118.700 0.257 0.000 2.092 81 N HA -0.143 4.597 4.740 -0.000 0.000 0.189 81 N C 1.662 177.290 175.510 0.196 0.000 1.040 81 N CA 1.759 54.967 53.050 0.263 0.000 0.845 81 N CB -0.261 38.373 38.487 0.245 0.000 1.017 81 N HN 0.421 nan 8.380 nan 0.000 0.426 82 K N 0.803 121.296 120.400 0.156 0.000 2.218 82 K HA -0.066 4.254 4.320 -0.000 0.000 0.205 82 K C 1.758 178.469 176.600 0.185 0.000 1.046 82 K CA 0.988 57.361 56.287 0.144 0.000 0.933 82 K CB -0.074 32.489 32.500 0.106 0.000 0.728 82 K HN 0.204 nan 8.250 nan 0.000 0.454 83 R N 0.259 120.846 120.500 0.144 0.000 2.307 83 R HA -0.017 4.323 4.340 -0.000 0.000 0.199 83 R C 1.563 177.934 176.300 0.118 0.000 1.000 83 R CA 1.415 57.574 56.100 0.098 0.000 1.023 83 R CB 0.113 30.417 30.300 0.006 0.000 0.908 83 R HN 0.421 nan 8.270 nan 0.000 0.473 84 T N -3.871 110.806 114.554 0.205 0.000 3.464 84 T HA -0.090 4.260 4.350 -0.000 0.000 0.222 84 T C 1.612 176.538 174.700 0.377 0.000 0.982 84 T CA -0.462 61.773 62.100 0.224 0.000 1.132 84 T CB -0.391 68.509 68.868 0.053 0.000 1.226 84 T HN -0.148 nan 8.240 nan 0.000 0.346 85 Q N 1.479 121.416 119.800 0.229 0.000 2.340 85 Q HA -0.297 4.043 4.340 -0.000 0.000 0.215 85 Q C 1.007 177.146 176.000 0.232 0.000 0.998 85 Q CA 2.247 58.170 55.803 0.200 0.000 0.921 85 Q CB -0.869 27.903 28.738 0.058 0.000 0.926 85 Q HN 0.512 nan 8.270 nan 0.000 0.426 86 D N -1.241 119.288 120.400 0.216 0.000 2.378 86 D HA -0.059 4.581 4.640 -0.000 0.000 0.227 86 D C -0.108 175.959 176.300 -0.387 0.000 1.012 86 D CA 0.482 54.442 54.000 -0.066 0.000 0.905 86 D CB -0.085 40.639 40.800 -0.127 0.000 0.895 86 D HN 0.254 nan 8.370 nan 0.000 0.532 87 F N -2.279 117.802 119.950 0.218 0.000 2.815 87 F HA 0.275 4.802 4.527 -0.000 0.000 0.323 87 F C -0.062 175.765 175.800 0.045 0.000 1.151 87 F CA -0.567 57.514 58.000 0.135 0.000 1.191 87 F CB 0.138 39.239 39.000 0.168 0.000 1.069 87 F HN -0.081 nan 8.300 nan 0.000 0.514 88 W N -0.027 121.293 121.300 0.033 0.000 1.419 88 W HA 0.314 4.974 4.660 -0.000 0.000 0.230 88 W C 1.224 177.682 176.519 -0.102 0.000 0.820 88 W CA -0.697 56.619 57.345 -0.049 0.000 1.448 88 W CB 0.057 29.466 29.460 -0.086 0.000 0.919 88 W HN 0.047 nan 8.180 nan 0.000 0.431 89 E N -0.763 119.459 120.200 0.036 0.000 2.571 89 E HA 0.133 4.483 4.350 -0.000 0.000 0.222 89 E C 0.606 177.161 176.600 -0.074 0.000 0.904 89 E CA 0.452 56.831 56.400 -0.035 0.000 1.157 89 E CB 0.859 30.519 29.700 -0.065 0.000 1.158 89 E HN 0.025 nan 8.360 nan 0.000 0.540 90 V N 0.279 120.135 119.914 -0.097 0.000 3.671 90 V HA -0.029 4.091 4.120 -0.000 0.000 0.202 90 V C 1.929 177.932 176.094 -0.152 0.000 1.188 90 V CA 0.176 62.406 62.300 -0.116 0.000 1.325 90 V CB -0.022 31.725 31.823 -0.127 0.000 1.470 90 V HN 0.089 nan 8.190 nan 0.000 0.520 91 Q N 0.304 119.966 119.800 -0.231 0.000 2.124 91 Q HA -0.223 4.117 4.340 -0.000 0.000 0.215 91 Q C 1.395 177.187 176.000 -0.346 0.000 1.015 91 Q CA 2.147 57.720 55.803 -0.383 0.000 0.890 91 Q CB -0.195 28.057 28.738 -0.809 0.000 0.966 91 Q HN 0.558 nan 8.270 nan 0.000 0.412 92 L N -0.479 120.557 121.223 -0.312 0.000 3.289 92 L HA 0.329 4.669 4.340 -0.000 0.000 0.291 92 L C 0.571 177.390 176.870 -0.084 0.000 1.279 92 L CA -0.440 54.289 54.840 -0.184 0.000 1.025 92 L CB 0.712 42.665 42.059 -0.177 0.000 1.413 92 L HN 0.030 nan 8.230 nan 0.000 0.593 93 G N 1.262 110.017 108.800 -0.075 0.000 2.241 93 G HA2 0.017 3.977 3.960 -0.000 0.000 0.235 93 G HA3 0.017 3.977 3.960 -0.000 0.000 0.235 93 G C -0.153 174.744 174.900 -0.005 0.000 1.127 93 G CA 0.122 45.200 45.100 -0.036 0.000 0.867 93 G HN 0.271 nan 8.290 nan 0.000 0.473 94 I N 5.220 125.803 120.570 0.021 0.000 2.337 94 I HA 0.185 4.355 4.170 -0.000 0.000 0.285 94 I C -1.496 174.703 176.117 0.138 0.000 1.041 94 I CA -1.730 59.618 61.300 0.079 0.000 1.199 94 I CB 1.529 39.580 38.000 0.084 0.000 1.370 94 I HN 0.415 nan 8.210 nan 0.000 0.470 95 P HA -0.104 nan 4.420 nan 0.000 0.261 95 P C -0.773 176.527 177.300 -0.000 0.000 1.173 95 P CA 0.291 63.427 63.100 0.060 0.000 0.760 95 P CB 0.474 32.189 31.700 0.025 0.000 0.783 96 H N 4.809 123.780 119.070 -0.165 0.000 2.641 96 H HA 0.307 4.862 4.556 -0.000 0.000 0.295 96 H C -1.766 173.377 175.328 -0.309 0.000 1.070 96 H CA -1.985 53.809 56.048 -0.423 0.000 1.257 96 H CB 0.362 29.951 29.762 -0.289 0.000 1.393 96 H HN 0.248 nan 8.280 nan 0.000 0.464 97 P HA 0.063 nan 4.420 nan 0.000 0.264 97 P C 0.322 177.242 177.300 -0.632 0.000 1.236 97 P CA -0.106 62.679 63.100 -0.524 0.000 0.811 97 P CB 0.876 32.361 31.700 -0.358 0.000 0.840 98 A N 3.493 126.090 122.820 -0.371 0.000 2.259 98 A HA 0.045 4.365 4.320 -0.000 0.000 0.212 98 A C 1.940 179.426 177.584 -0.164 0.000 1.178 98 A CA 1.342 53.243 52.037 -0.227 0.000 0.734 98 A CB -0.743 18.216 19.000 -0.068 0.000 0.774 98 A HN 0.605 nan 8.150 nan 0.000 0.481 99 G N -1.102 107.597 108.800 -0.169 0.000 2.762 99 G HA2 0.167 4.127 3.960 -0.000 0.000 0.209 99 G HA3 0.167 4.127 3.960 -0.000 0.000 0.209 99 G C 1.196 176.042 174.900 -0.089 0.000 1.134 99 G CA 0.570 45.608 45.100 -0.102 0.000 0.781 99 G HN 0.436 nan 8.290 nan 0.000 0.528 100 L N 2.135 123.290 121.223 -0.113 0.000 2.137 100 L HA -0.123 4.217 4.340 -0.000 0.000 0.213 100 L C 2.690 179.548 176.870 -0.019 0.000 1.085 100 L CA 2.540 57.355 54.840 -0.042 0.000 0.760 100 L CB -0.464 41.578 42.059 -0.027 0.000 0.893 100 L HN 0.440 nan 8.230 nan 0.000 0.434 101 K N -1.030 119.346 120.400 -0.040 0.000 2.283 101 K HA -0.158 4.161 4.320 -0.000 0.000 0.202 101 K C 1.829 178.389 176.600 -0.067 0.000 1.048 101 K CA 1.453 57.729 56.287 -0.019 0.000 0.948 101 K CB -0.319 32.162 32.500 -0.031 0.000 0.742 101 K HN 0.336 nan 8.250 nan 0.000 0.458 102 K N 0.945 121.304 120.400 -0.068 0.000 2.186 102 K HA 0.058 4.378 4.320 -0.000 0.000 0.202 102 K C 0.411 176.961 176.600 -0.084 0.000 1.052 102 K CA 0.223 56.466 56.287 -0.074 0.000 0.965 102 K CB 0.127 32.595 32.500 -0.054 0.000 0.746 102 K HN -0.011 nan 8.250 nan 0.000 0.457 103 K N 1.453 121.811 120.400 -0.069 0.000 2.393 103 K HA -0.117 4.203 4.320 -0.000 0.000 0.264 103 K C 0.911 177.449 176.600 -0.102 0.000 0.979 103 K CA 0.724 56.971 56.287 -0.066 0.000 0.893 103 K CB 0.257 32.734 32.500 -0.039 0.000 0.967 103 K HN -0.016 nan 8.250 nan 0.000 0.521 104 K N -0.060 120.283 120.400 -0.095 0.000 2.211 104 K HA 0.042 4.362 4.320 -0.000 0.000 0.201 104 K C -0.091 176.470 176.600 -0.066 0.000 1.052 104 K CA 0.560 56.786 56.287 -0.102 0.000 0.973 104 K CB 0.449 32.892 32.500 -0.094 0.000 0.766 104 K HN 0.364 nan 8.250 nan 0.000 0.466 105 S N 0.049 115.665 115.700 -0.139 0.000 2.603 105 S HA 0.315 4.785 4.470 -0.000 0.000 0.274 105 S C -1.344 173.100 174.600 -0.260 0.000 1.168 105 S CA -0.858 57.224 58.200 -0.198 0.000 0.963 105 S CB 2.312 65.296 63.200 -0.360 0.000 1.078 105 S HN -0.150 nan 8.310 nan 0.000 0.477 106 V N 3.124 122.960 119.914 -0.130 0.000 2.325 106 V HA 0.400 4.520 4.120 -0.000 0.000 0.280 106 V C 0.205 176.352 176.094 0.088 0.000 1.016 106 V CA -0.535 61.788 62.300 0.039 0.000 0.818 106 V CB 1.122 33.024 31.823 0.131 0.000 1.019 106 V HN 0.867 nan 8.190 nan 0.000 0.434 107 T N 4.073 118.743 114.554 0.193 0.000 2.910 107 T HA 0.476 4.826 4.350 -0.000 0.000 0.293 107 T C -0.034 174.692 174.700 0.043 0.000 1.015 107 T CA -0.128 62.073 62.100 0.168 0.000 1.094 107 T CB 1.615 70.623 68.868 0.233 0.000 0.968 107 T HN 0.344 nan 8.240 nan 0.000 0.521 108 V N 5.113 125.005 119.914 -0.036 0.000 2.378 108 V HA 0.506 4.626 4.120 -0.000 0.000 0.288 108 V C -0.670 175.280 176.094 -0.241 0.000 1.016 108 V CA -0.888 61.223 62.300 -0.315 0.000 0.840 108 V CB 0.750 32.276 31.823 -0.496 0.000 0.994 108 V HN 0.693 nan 8.190 nan 0.000 0.431 109 L N 1.698 122.791 121.223 -0.217 0.000 2.386 109 L HA 0.795 5.135 4.340 -0.000 0.000 0.271 109 L C -0.449 176.335 176.870 -0.143 0.000 0.993 109 L CA -0.637 54.110 54.840 -0.155 0.000 0.819 109 L CB 1.323 43.323 42.059 -0.098 0.000 1.294 109 L HN 0.393 nan 8.230 nan 0.000 0.414 110 D N 1.109 121.420 120.400 -0.148 0.000 2.419 110 D HA 0.382 5.022 4.640 -0.000 0.000 0.236 110 D C 0.796 177.007 176.300 -0.148 0.000 1.165 110 D CA 1.010 54.925 54.000 -0.141 0.000 0.882 110 D CB 1.191 41.898 40.800 -0.154 0.000 1.201 110 D HN 0.653 nan 8.370 nan 0.000 0.443 111 V N -0.502 119.295 119.914 -0.196 0.000 3.623 111 V HA 0.323 4.443 4.120 -0.000 0.000 0.283 111 V C 1.784 177.534 176.094 -0.573 0.000 1.643 111 V CA 0.246 62.378 62.300 -0.280 0.000 1.121 111 V CB -0.125 31.595 31.823 -0.170 0.000 0.933 111 V HN 0.572 nan 8.190 nan 0.000 0.420 112 G N 0.605 109.078 108.800 -0.544 0.000 2.550 112 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.222 112 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.222 112 G C 1.048 175.370 174.900 -0.964 0.000 1.113 112 G CA 1.578 46.208 45.100 -0.784 0.000 0.748 112 G HN 0.532 nan 8.290 nan 0.000 0.585 113 D N 0.479 120.458 120.400 -0.702 0.000 2.384 113 D HA 0.058 4.698 4.640 -0.000 0.000 0.222 113 D C 2.572 178.533 176.300 -0.565 0.000 0.976 113 D CA 0.739 54.343 54.000 -0.662 0.000 0.915 113 D CB 0.068 40.642 40.800 -0.377 0.000 0.896 113 D HN 0.369 nan 8.370 nan 0.000 0.523 114 A N 0.077 122.462 122.820 -0.724 0.000 1.854 114 A HA -0.156 4.164 4.320 -0.000 0.000 0.214 114 A C 1.886 179.128 177.584 -0.570 0.000 1.192 114 A CA 0.776 52.428 52.037 -0.643 0.000 0.611 114 A CB -1.104 17.343 19.000 -0.921 0.000 0.832 114 A HN 0.335 nan 8.150 nan 0.000 0.442 115 Y N -1.244 118.673 120.300 -0.639 0.000 2.133 115 Y HA -0.306 4.244 4.550 -0.000 0.000 0.279 115 Y C 1.854 177.792 175.900 0.064 0.000 1.209 115 Y CA 0.683 58.582 58.100 -0.335 0.000 1.152 115 Y CB -0.676 37.660 38.460 -0.207 0.000 0.961 115 Y HN 0.291 nan 8.280 nan 0.000 0.512 116 F N 0.773 120.742 119.950 0.032 0.000 2.668 116 F HA -0.159 4.368 4.527 -0.000 0.000 0.293 116 F C 1.959 177.796 175.800 0.062 0.000 1.258 116 F CA 0.846 58.881 58.000 0.058 0.000 1.480 116 F CB -1.342 37.679 39.000 0.036 0.000 1.122 116 F HN 0.133 nan 8.300 nan 0.000 0.611 117 S N -2.701 113.146 115.700 0.245 0.000 2.549 117 S HA 0.187 4.657 4.470 -0.000 0.000 0.225 117 S C 0.241 174.953 174.600 0.187 0.000 1.039 117 S CA -0.198 58.113 58.200 0.186 0.000 0.942 117 S CB -0.077 63.222 63.200 0.165 0.000 0.881 117 S HN -0.127 nan 8.310 nan 0.000 0.503 118 V N 5.243 125.288 119.914 0.218 0.000 2.368 118 V HA 0.440 4.560 4.120 -0.000 0.000 0.266 118 V C -2.291 173.912 176.094 0.181 0.000 1.045 118 V CA -2.181 60.245 62.300 0.210 0.000 0.899 118 V CB 0.592 32.570 31.823 0.258 0.000 1.006 118 V HN 0.294 nan 8.190 nan 0.000 0.470 119 P HA 0.104 nan 4.420 nan 0.000 0.269 119 P C -0.629 176.764 177.300 0.154 0.000 1.215 119 P CA -0.325 62.858 63.100 0.138 0.000 0.780 119 P CB 1.346 33.112 31.700 0.111 0.000 0.898 120 L N 2.396 123.717 121.223 0.163 0.000 2.325 120 L HA 0.307 4.647 4.340 -0.000 0.000 0.279 120 L C 0.241 177.215 176.870 0.173 0.000 1.054 120 L CA -0.456 54.497 54.840 0.189 0.000 0.804 120 L CB 0.372 42.561 42.059 0.217 0.000 1.200 120 L HN 0.278 nan 8.230 nan 0.000 0.436 121 D N 2.568 123.074 120.400 0.175 0.000 2.536 121 D HA -0.117 4.523 4.640 -0.000 0.000 0.260 121 D C 1.226 177.636 176.300 0.184 0.000 1.270 121 D CA 0.548 54.645 54.000 0.161 0.000 0.934 121 D CB 0.668 41.551 40.800 0.138 0.000 1.129 121 D HN 0.648 nan 8.370 nan 0.000 0.533 122 E N 3.296 123.576 120.200 0.134 0.000 2.149 122 E HA -0.311 4.039 4.350 -0.000 0.000 0.215 122 E C 0.612 177.279 176.600 0.112 0.000 1.055 122 E CA 2.282 58.746 56.400 0.107 0.000 0.870 122 E CB -0.119 29.627 29.700 0.078 0.000 0.764 122 E HN 0.640 nan 8.360 nan 0.000 0.463 123 D N -1.312 119.170 120.400 0.136 0.000 2.352 123 D HA -0.050 4.590 4.640 -0.000 0.000 0.232 123 D C 0.948 177.388 176.300 0.233 0.000 1.055 123 D CA 0.279 54.361 54.000 0.137 0.000 0.891 123 D CB -0.137 40.742 40.800 0.131 0.000 0.897 123 D HN 0.272 nan 8.370 nan 0.000 0.529 124 F N 1.202 121.200 119.950 0.080 0.000 2.637 124 F HA 0.183 4.710 4.527 -0.000 0.000 0.284 124 F C 2.027 177.886 175.800 0.099 0.000 1.105 124 F CA -0.080 58.014 58.000 0.157 0.000 1.356 124 F CB 0.275 39.287 39.000 0.021 0.000 1.096 124 F HN -0.304 nan 8.300 nan 0.000 0.616 125 R N 1.334 121.862 120.500 0.047 0.000 2.136 125 R HA -0.295 4.045 4.340 -0.000 0.000 0.242 125 R C 2.209 178.403 176.300 -0.177 0.000 1.131 125 R CA 2.329 58.403 56.100 -0.044 0.000 0.937 125 R CB -1.013 29.305 30.300 0.029 0.000 0.863 125 R HN 0.328 nan 8.270 nan 0.000 0.435 126 K N 0.224 120.495 120.400 -0.215 0.000 2.464 126 K HA -0.249 4.071 4.320 -0.000 0.000 0.200 126 K C 0.949 177.318 176.600 -0.384 0.000 1.044 126 K CA 1.987 58.104 56.287 -0.284 0.000 0.932 126 K CB -0.250 32.052 32.500 -0.331 0.000 0.753 126 K HN 0.371 nan 8.250 nan 0.000 0.492 127 Y N 0.869 120.920 120.300 -0.414 0.000 2.507 127 Y HA 0.033 4.583 4.550 -0.000 0.000 0.263 127 Y C 2.302 178.015 175.900 -0.312 0.000 1.093 127 Y CA 0.968 58.738 58.100 -0.549 0.000 1.285 127 Y CB 0.352 38.181 38.460 -1.052 0.000 1.115 127 Y HN 0.288 nan 8.280 nan 0.000 0.533 128 T N -1.570 112.933 114.554 -0.085 0.000 3.252 128 T HA 0.390 4.740 4.350 -0.000 0.000 0.250 128 T C 0.798 175.712 174.700 0.358 0.000 1.123 128 T CA 0.024 62.283 62.100 0.265 0.000 1.006 128 T CB -0.710 68.362 68.868 0.341 0.000 0.992 128 T HN 0.180 nan 8.240 nan 0.000 0.547 129 A N 1.683 124.572 122.820 0.115 0.000 2.477 129 A HA 0.575 4.895 4.320 -0.000 0.000 0.246 129 A C -0.032 177.556 177.584 0.007 0.000 1.078 129 A CA -0.655 51.351 52.037 -0.051 0.000 0.770 129 A CB -0.346 18.597 19.000 -0.095 0.000 1.011 129 A HN 0.694 nan 8.150 nan 0.000 0.494 130 F N -0.494 119.440 119.950 -0.025 0.000 2.664 130 F HA 0.880 5.407 4.527 -0.000 0.000 0.329 130 F C -0.219 175.543 175.800 -0.063 0.000 1.090 130 F CA -0.990 56.974 58.000 -0.059 0.000 0.978 130 F CB 1.365 40.318 39.000 -0.079 0.000 1.378 130 F HN 0.325 nan 8.300 nan 0.000 0.495 131 T N 1.896 116.508 114.554 0.098 0.000 2.928 131 T HA 0.532 4.882 4.350 -0.000 0.000 0.296 131 T C -0.627 174.114 174.700 0.069 0.000 1.000 131 T CA -0.398 61.694 62.100 -0.013 0.000 0.989 131 T CB 1.378 70.195 68.868 -0.085 0.000 1.005 131 T HN 0.580 nan 8.240 nan 0.000 0.442 132 I N 5.523 126.133 120.570 0.066 0.000 2.337 132 I HA 0.253 4.423 4.170 -0.000 0.000 0.291 132 I C -1.753 174.343 176.117 -0.035 0.000 1.046 132 I CA -2.249 59.077 61.300 0.044 0.000 1.324 132 I CB 0.792 38.840 38.000 0.081 0.000 1.409 132 I HN 0.314 nan 8.210 nan 0.000 0.494 133 P HA 0.051 nan 4.420 nan 0.000 0.271 133 P C -0.580 176.680 177.300 -0.066 0.000 1.238 133 P CA -0.212 62.848 63.100 -0.067 0.000 0.794 133 P CB 0.692 32.352 31.700 -0.067 0.000 0.959 134 S N 0.131 115.792 115.700 -0.065 0.000 2.503 134 S HA 0.472 4.942 4.470 -0.000 0.000 0.301 134 S C 0.386 174.954 174.600 -0.054 0.000 1.087 134 S CA -0.693 57.471 58.200 -0.061 0.000 1.042 134 S CB 0.489 63.652 63.200 -0.061 0.000 1.043 134 S HN 0.252 nan 8.310 nan 0.000 0.489 135 I N 2.669 123.208 120.570 -0.052 0.000 2.696 135 I HA 0.119 4.289 4.170 -0.000 0.000 0.284 135 I C 1.248 177.341 176.117 -0.040 0.000 1.129 135 I CA -0.008 61.265 61.300 -0.046 0.000 1.410 135 I CB -0.039 37.934 38.000 -0.045 0.000 1.399 135 I HN 0.802 nan 8.210 nan 0.000 0.579 136 N N 3.979 122.658 118.700 -0.035 0.000 2.678 136 N HA -0.298 4.442 4.740 -0.000 0.000 0.250 136 N C 0.032 175.521 175.510 -0.034 0.000 1.136 136 N CA 1.271 54.303 53.050 -0.030 0.000 0.757 136 N CB -0.896 37.575 38.487 -0.027 0.000 1.135 136 N HN 0.822 nan 8.380 nan 0.000 0.565 137 N N -1.330 117.346 118.700 -0.040 0.000 2.725 137 N HA -0.213 4.527 4.740 -0.000 0.000 0.249 137 N C 0.418 175.901 175.510 -0.046 0.000 1.103 137 N CA 1.391 54.414 53.050 -0.046 0.000 0.707 137 N CB -1.157 37.303 38.487 -0.045 0.000 1.043 137 N HN 0.727 nan 8.380 nan 0.000 0.553 138 E N -0.143 120.030 120.200 -0.044 0.000 1.998 138 E HA -0.109 4.241 4.350 -0.000 0.000 0.196 138 E C 1.224 177.795 176.600 -0.049 0.000 1.003 138 E CA 1.748 58.123 56.400 -0.042 0.000 0.829 138 E CB -0.131 29.546 29.700 -0.039 0.000 0.777 138 E HN 0.649 nan 8.360 nan 0.000 0.460 139 T N 0.237 114.758 114.554 -0.054 0.000 2.770 139 T HA 0.250 4.600 4.350 -0.000 0.000 0.281 139 T C -2.287 172.370 174.700 -0.071 0.000 0.981 139 T CA -1.589 60.475 62.100 -0.061 0.000 0.955 139 T CB 0.701 69.531 68.868 -0.064 0.000 1.060 139 T HN -0.081 nan 8.240 nan 0.000 0.531 140 P HA 0.323 nan 4.420 nan 0.000 0.282 140 P C 0.505 177.741 177.300 -0.108 0.000 1.249 140 P CA -0.298 62.745 63.100 -0.095 0.000 0.806 140 P CB 0.543 32.182 31.700 -0.102 0.000 0.984 141 G N 2.891 111.623 108.800 -0.113 0.000 2.720 141 G HA2 0.173 4.133 3.960 -0.000 0.000 0.237 141 G HA3 0.173 4.133 3.960 -0.000 0.000 0.237 141 G C 0.314 175.118 174.900 -0.161 0.000 1.239 141 G CA -0.569 44.459 45.100 -0.120 0.000 0.847 141 G HN 0.461 nan 8.290 nan 0.000 0.593 142 I N 0.742 121.207 120.570 -0.176 0.000 2.472 142 I HA 0.332 4.502 4.170 -0.000 0.000 0.290 142 I C 0.152 176.033 176.117 -0.394 0.000 1.016 142 I CA -0.428 60.695 61.300 -0.295 0.000 1.348 142 I CB 1.204 39.035 38.000 -0.280 0.000 1.417 142 I HN 0.241 nan 8.210 nan 0.000 0.521 143 R N 5.771 125.948 120.500 -0.538 0.000 2.439 143 R HA 0.529 4.869 4.340 -0.000 0.000 0.310 143 R C -1.520 174.382 176.300 -0.664 0.000 0.955 143 R CA -0.741 55.050 56.100 -0.514 0.000 0.853 143 R CB 1.809 31.901 30.300 -0.347 0.000 1.171 143 R HN 0.453 nan 8.270 nan 0.000 0.449 144 Y N 0.504 120.392 120.300 -0.687 0.000 2.570 144 Y HA 0.380 4.930 4.550 -0.000 0.000 0.345 144 Y C 0.280 175.641 175.900 -0.899 0.000 1.014 144 Y CA -0.781 56.838 58.100 -0.800 0.000 1.063 144 Y CB 2.178 40.049 38.460 -0.981 0.000 1.272 144 Y HN 0.377 nan 8.280 nan 0.000 0.477 145 Q N 1.371 120.965 119.800 -0.344 0.000 2.359 145 Q HA 0.398 4.738 4.340 -0.000 0.000 0.274 145 Q C -1.955 173.972 176.000 -0.121 0.000 1.074 145 Q CA -0.828 54.848 55.803 -0.212 0.000 0.810 145 Q CB 1.833 30.494 28.738 -0.128 0.000 1.342 145 Q HN 0.730 nan 8.270 nan 0.000 0.427 146 Y N 2.070 122.426 120.300 0.092 0.000 2.379 146 Y HA 0.140 4.690 4.550 -0.000 0.000 0.337 146 Y C 1.000 176.930 175.900 0.048 0.000 1.238 146 Y CA 0.521 58.681 58.100 0.100 0.000 1.405 146 Y CB 0.813 39.367 38.460 0.156 0.000 1.310 146 Y HN 0.693 nan 8.280 nan 0.000 0.569 147 N N 0.373 119.224 118.700 0.252 0.000 2.166 147 N HA 0.105 4.845 4.740 -0.000 0.000 0.213 147 N C -0.760 174.847 175.510 0.161 0.000 1.222 147 N CA 0.393 53.535 53.050 0.154 0.000 0.900 147 N CB 1.010 39.548 38.487 0.085 0.000 1.055 147 N HN 0.351 nan 8.380 nan 0.000 0.515 148 V N -1.895 118.136 119.914 0.195 0.000 3.141 148 V HA 0.571 4.691 4.120 -0.000 0.000 0.312 148 V C -0.086 176.118 176.094 0.183 0.000 1.157 148 V CA -1.205 61.200 62.300 0.176 0.000 1.041 148 V CB 1.618 33.530 31.823 0.149 0.000 1.071 148 V HN -0.169 nan 8.190 nan 0.000 0.441 149 L N 2.971 124.322 121.223 0.212 0.000 2.584 149 L HA 0.305 4.645 4.340 -0.000 0.000 0.272 149 L C -2.184 174.778 176.870 0.152 0.000 1.195 149 L CA -0.375 54.587 54.840 0.202 0.000 0.920 149 L CB -0.135 42.004 42.059 0.133 0.000 1.173 149 L HN 0.543 nan 8.230 nan 0.000 0.489 150 P HA 0.101 nan 4.420 nan 0.000 0.275 150 P C -0.053 177.309 177.300 0.104 0.000 1.228 150 P CA -0.400 62.523 63.100 -0.294 0.000 0.786 150 P CB 0.796 32.132 31.700 -0.606 0.000 0.927 151 Q N 1.810 121.769 119.800 0.265 0.000 1.941 151 Q HA -0.104 4.236 4.340 -0.000 0.000 0.201 151 Q C 2.320 178.529 176.000 0.349 0.000 0.982 151 Q CA 1.864 57.865 55.803 0.330 0.000 0.839 151 Q CB -1.004 27.893 28.738 0.265 0.000 0.904 151 Q HN 0.683 nan 8.270 nan 0.000 0.427 152 G N 0.255 109.354 108.800 0.498 0.000 2.549 152 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.222 152 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.222 152 G C -0.128 175.086 174.900 0.523 0.000 1.100 152 G CA 0.026 45.490 45.100 0.606 0.000 0.739 152 G HN 0.304 nan 8.290 nan 0.000 0.577 153 W N 2.147 123.420 121.300 -0.046 0.000 2.546 153 W HA 0.418 5.078 4.660 -0.000 0.000 0.323 153 W C 0.608 177.003 176.519 -0.208 0.000 1.272 153 W CA -1.628 55.497 57.345 -0.367 0.000 1.404 153 W CB 0.192 29.191 29.460 -0.768 0.000 1.411 153 W HN -0.104 nan 8.180 nan 0.000 0.480 154 K N 4.144 124.344 120.400 -0.333 0.000 3.414 154 K HA 0.050 4.370 4.320 -0.000 0.000 0.297 154 K C 1.177 177.220 176.600 -0.929 0.000 0.885 154 K CA 0.580 56.592 56.287 -0.458 0.000 1.051 154 K CB -0.439 31.939 32.500 -0.202 0.000 1.158 154 K HN 0.712 nan 8.250 nan 0.000 0.365 155 G N -1.164 106.618 108.800 -1.698 0.000 3.430 155 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.222 155 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.222 155 G C 0.984 175.041 174.900 -1.405 0.000 1.102 155 G CA -0.273 43.635 45.100 -1.987 0.000 0.927 155 G HN 0.200 nan 8.290 nan 0.000 0.597 156 S N 1.903 116.942 115.700 -1.101 0.000 2.356 156 S HA 0.044 4.514 4.470 -0.000 0.000 0.219 156 S C -0.030 174.121 174.600 -0.748 0.000 1.036 156 S CA 1.130 58.850 58.200 -0.800 0.000 0.965 156 S CB -0.613 62.008 63.200 -0.965 0.000 0.864 156 S HN 0.316 nan 8.310 nan 0.000 0.471 157 P HA -0.077 nan 4.420 nan 0.000 0.218 157 P C 1.195 178.435 177.300 -0.100 0.000 1.148 157 P CA 1.558 64.497 63.100 -0.269 0.000 0.822 157 P CB -0.079 31.533 31.700 -0.146 0.000 0.784 158 A N -0.503 122.203 122.820 -0.190 0.000 1.968 158 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 158 A C 2.365 179.953 177.584 0.006 0.000 1.169 158 A CA 0.911 52.908 52.037 -0.066 0.000 0.638 158 A CB -1.203 17.778 19.000 -0.031 0.000 0.812 158 A HN 0.129 nan 8.150 nan 0.000 0.446 159 I N -2.458 118.105 120.570 -0.011 0.000 2.339 159 I HA -0.086 4.084 4.170 -0.000 0.000 0.245 159 I C 2.226 178.421 176.117 0.130 0.000 1.096 159 I CA 0.904 62.253 61.300 0.082 0.000 1.408 159 I CB -0.276 37.778 38.000 0.089 0.000 1.092 159 I HN 0.354 nan 8.210 nan 0.000 0.423 160 F N 1.900 121.832 119.950 -0.030 0.000 2.216 160 F HA -0.257 4.270 4.527 -0.000 0.000 0.300 160 F C 2.584 178.428 175.800 0.073 0.000 1.085 160 F CA 1.575 59.613 58.000 0.063 0.000 1.326 160 F CB -0.499 38.601 39.000 0.168 0.000 1.027 160 F HN 0.095 nan 8.300 nan 0.000 0.497 161 Q N -0.025 119.861 119.800 0.144 0.000 2.188 161 Q HA -0.348 3.992 4.340 -0.000 0.000 0.217 161 Q C 2.122 178.105 176.000 -0.028 0.000 1.018 161 Q CA 2.866 58.708 55.803 0.065 0.000 0.910 161 Q CB -0.337 28.428 28.738 0.045 0.000 0.979 161 Q HN 0.497 nan 8.270 nan 0.000 0.413 162 S N 0.200 115.865 115.700 -0.058 0.000 2.361 162 S HA -0.147 4.323 4.470 -0.000 0.000 0.214 162 S C 1.932 176.430 174.600 -0.171 0.000 1.034 162 S CA 1.299 59.451 58.200 -0.079 0.000 1.025 162 S CB -0.624 62.543 63.200 -0.054 0.000 0.996 162 S HN 0.453 nan 8.310 nan 0.000 0.422 163 S N 1.218 116.723 115.700 -0.326 0.000 2.461 163 S HA -0.187 4.283 4.470 -0.000 0.000 0.249 163 S C 1.698 176.013 174.600 -0.474 0.000 1.012 163 S CA 1.622 59.537 58.200 -0.476 0.000 0.982 163 S CB -0.379 62.320 63.200 -0.836 0.000 0.764 163 S HN 0.363 nan 8.310 nan 0.000 0.506 164 M N 1.792 121.139 119.600 -0.421 0.000 2.240 164 M HA -0.025 4.455 4.480 -0.000 0.000 0.257 164 M C 2.291 178.589 176.300 -0.003 0.000 1.107 164 M CA 1.881 57.096 55.300 -0.141 0.000 1.169 164 M CB -1.108 31.512 32.600 0.032 0.000 1.307 164 M HN 0.305 nan 8.290 nan 0.000 0.447 165 T N -1.322 113.238 114.554 0.009 0.000 2.969 165 T HA -0.184 4.166 4.350 -0.000 0.000 0.271 165 T C 1.733 176.462 174.700 0.048 0.000 1.127 165 T CA 1.656 63.782 62.100 0.043 0.000 1.102 165 T CB -0.576 68.315 68.868 0.039 0.000 0.855 165 T HN 0.504 nan 8.240 nan 0.000 0.536 166 K N 1.040 121.469 120.400 0.048 0.000 2.056 166 K HA 0.128 4.447 4.320 -0.000 0.000 0.205 166 K C 2.281 178.972 176.600 0.152 0.000 1.035 166 K CA 0.701 57.048 56.287 0.101 0.000 0.955 166 K CB -0.268 32.312 32.500 0.134 0.000 0.769 166 K HN 0.348 nan 8.250 nan 0.000 0.447 167 I N 1.967 122.689 120.570 0.254 0.000 2.185 167 I HA -0.339 3.831 4.170 -0.000 0.000 0.246 167 I C 2.336 178.567 176.117 0.190 0.000 1.088 167 I CA 1.367 62.876 61.300 0.348 0.000 1.347 167 I CB -0.244 37.938 38.000 0.302 0.000 1.041 167 I HN 0.272 nan 8.210 nan 0.000 0.415 168 L N 0.184 121.496 121.223 0.147 0.000 2.291 168 L HA -0.148 4.192 4.340 -0.000 0.000 0.214 168 L C 2.648 179.609 176.870 0.152 0.000 1.120 168 L CA 0.764 55.697 54.840 0.155 0.000 0.799 168 L CB -0.583 41.535 42.059 0.099 0.000 0.925 168 L HN 0.365 nan 8.230 nan 0.000 0.446 169 E N 1.516 121.766 120.200 0.084 0.000 2.097 169 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 169 E C -0.909 175.688 176.600 -0.005 0.000 1.000 169 E CA 1.379 57.802 56.400 0.039 0.000 0.804 169 E CB -0.846 28.863 29.700 0.014 0.000 0.740 169 E HN 0.325 nan 8.360 nan 0.000 0.454 170 P HA -0.018 nan 4.420 nan 0.000 0.258 170 P C 0.406 177.586 177.300 -0.200 0.000 1.403 170 P CA 0.422 63.416 63.100 -0.176 0.000 0.826 170 P CB -0.450 31.057 31.700 -0.322 0.000 1.414 171 F N 0.775 120.567 119.950 -0.263 0.000 2.658 171 F HA 0.295 4.822 4.527 -0.000 0.000 0.293 171 F C 1.768 177.492 175.800 -0.127 0.000 0.986 171 F CA 0.274 58.107 58.000 -0.279 0.000 1.182 171 F CB 0.318 39.146 39.000 -0.287 0.000 0.965 171 F HN -0.337 nan 8.300 nan 0.000 0.659 172 K N 0.997 121.525 120.400 0.212 0.000 2.366 172 K HA -0.086 4.234 4.320 -0.000 0.000 0.198 172 K C 1.897 178.490 176.600 -0.011 0.000 1.044 172 K CA 0.578 56.945 56.287 0.133 0.000 0.973 172 K CB -0.001 32.584 32.500 0.142 0.000 0.767 172 K HN 0.261 nan 8.250 nan 0.000 0.475 173 K N 1.942 122.311 120.400 -0.051 0.000 1.978 173 K HA -0.219 4.101 4.320 -0.000 0.000 0.214 173 K C 1.792 178.319 176.600 -0.121 0.000 1.049 173 K CA 1.596 57.835 56.287 -0.081 0.000 0.939 173 K CB 0.086 32.525 32.500 -0.101 0.000 0.721 173 K HN 0.144 nan 8.250 nan 0.000 0.441 174 Q N 0.662 120.342 119.800 -0.201 0.000 1.742 174 Q HA -0.040 4.299 4.340 -0.000 0.000 0.336 174 Q C 0.340 176.204 176.000 -0.227 0.000 0.966 174 Q CA 0.671 56.334 55.803 -0.233 0.000 0.893 174 Q CB -0.335 28.203 28.738 -0.334 0.000 0.927 174 Q HN 0.345 nan 8.270 nan 0.000 0.417 175 N N 3.062 121.549 118.700 -0.355 0.000 2.396 175 N HA -0.039 4.701 4.740 -0.000 0.000 0.287 175 N C -1.868 173.577 175.510 -0.108 0.000 1.316 175 N CA -0.069 52.835 53.050 -0.242 0.000 0.972 175 N CB 0.750 39.028 38.487 -0.348 0.000 1.341 175 N HN 0.335 nan 8.380 nan 0.000 0.487 176 P HA 0.039 nan 4.420 nan 0.000 0.218 176 P C 0.372 177.679 177.300 0.013 0.000 1.147 176 P CA 0.640 63.731 63.100 -0.016 0.000 0.863 176 P CB 0.528 32.212 31.700 -0.028 0.000 0.812 177 D N 0.661 121.065 120.400 0.006 0.000 2.182 177 D HA -0.065 4.575 4.640 -0.000 0.000 0.201 177 D C 0.940 177.268 176.300 0.047 0.000 0.986 177 D CA 0.772 54.783 54.000 0.019 0.000 0.847 177 D CB -0.767 40.039 40.800 0.010 0.000 0.942 177 D HN 0.249 nan 8.370 nan 0.000 0.467 178 I N 1.635 122.252 120.570 0.078 0.000 2.587 178 I HA -0.016 4.154 4.170 -0.000 0.000 0.284 178 I C 0.342 176.536 176.117 0.129 0.000 1.134 178 I CA -0.468 60.910 61.300 0.130 0.000 1.410 178 I CB 0.455 38.580 38.000 0.208 0.000 1.392 178 I HN -0.182 nan 8.210 nan 0.000 0.545 179 V N 6.179 126.161 119.914 0.114 0.000 2.567 179 V HA 0.581 4.700 4.120 -0.000 0.000 0.289 179 V C -0.179 176.006 176.094 0.152 0.000 1.049 179 V CA -0.574 61.788 62.300 0.104 0.000 0.969 179 V CB 1.541 33.399 31.823 0.059 0.000 0.995 179 V HN 0.489 nan 8.190 nan 0.000 0.471 180 I N 5.046 125.713 120.570 0.162 0.000 2.447 180 I HA 0.441 4.611 4.170 -0.000 0.000 0.287 180 I C -1.298 174.992 176.117 0.288 0.000 1.023 180 I CA -0.586 60.840 61.300 0.210 0.000 1.083 180 I CB 1.842 39.941 38.000 0.165 0.000 1.245 180 I HN 0.730 nan 8.210 nan 0.000 0.434 181 Y N 6.019 126.427 120.300 0.181 0.000 2.393 181 Y HA 0.426 4.976 4.550 -0.000 0.000 0.341 181 Y C -0.619 175.440 175.900 0.265 0.000 0.988 181 Y CA -1.292 56.913 58.100 0.175 0.000 1.078 181 Y CB 1.832 40.366 38.460 0.124 0.000 1.203 181 Y HN 0.594 nan 8.280 nan 0.000 0.453 182 Q N 6.157 125.999 119.800 0.069 0.000 2.333 182 Q HA 0.330 4.670 4.340 -0.000 0.000 0.268 182 Q C -2.299 173.469 176.000 -0.386 0.000 1.007 182 Q CA -0.768 55.009 55.803 -0.043 0.000 0.810 182 Q CB 1.240 30.052 28.738 0.123 0.000 1.264 182 Q HN 0.814 nan 8.270 nan 0.000 0.452 183 Y N 7.157 127.240 120.300 -0.361 0.000 2.526 183 Y HA 0.311 4.861 4.550 -0.000 0.000 0.328 183 Y C 0.085 175.991 175.900 0.010 0.000 0.995 183 Y CA -0.467 57.441 58.100 -0.320 0.000 1.304 183 Y CB 0.477 38.651 38.460 -0.477 0.000 1.096 183 Y HN 1.011 nan 8.280 nan 0.000 0.499 184 M N 1.102 120.725 119.600 0.039 0.000 7.319 184 M HA -0.425 4.055 4.480 -0.000 0.000 0.299 184 M C 0.270 176.767 176.300 0.328 0.000 0.480 184 M CA 2.013 57.424 55.300 0.185 0.000 1.311 184 M CB -0.986 31.846 32.600 0.387 0.000 0.421 184 M HN 0.529 nan 8.290 nan 0.000 0.612 185 D N 0.910 121.530 120.400 0.368 0.000 2.317 185 D HA 0.083 4.723 4.640 -0.000 0.000 0.211 185 D C -0.021 176.363 176.300 0.140 0.000 0.966 185 D CA 0.973 55.126 54.000 0.255 0.000 0.876 185 D CB -0.098 40.812 40.800 0.184 0.000 0.927 185 D HN 0.329 nan 8.370 nan 0.000 0.519 186 D N 0.105 120.650 120.400 0.242 0.000 2.268 186 D HA 0.320 4.960 4.640 -0.000 0.000 0.249 186 D C -0.404 176.028 176.300 0.220 0.000 1.008 186 D CA -0.599 53.498 54.000 0.163 0.000 0.939 186 D CB 2.214 43.118 40.800 0.174 0.000 1.170 186 D HN -0.134 nan 8.370 nan 0.000 0.468 187 L N 1.479 122.748 121.223 0.077 0.000 2.341 187 L HA 0.306 4.646 4.340 -0.000 0.000 0.278 187 L C -1.539 175.382 176.870 0.084 0.000 1.005 187 L CA -0.716 54.212 54.840 0.147 0.000 0.818 187 L CB 1.001 43.095 42.059 0.058 0.000 1.259 187 L HN 0.228 nan 8.230 nan 0.000 0.418 188 Y N 4.510 124.877 120.300 0.112 0.000 2.587 188 Y HA 0.458 5.008 4.550 -0.000 0.000 0.328 188 Y C -0.087 175.912 175.900 0.167 0.000 0.980 188 Y CA -0.933 57.261 58.100 0.157 0.000 1.272 188 Y CB 1.264 39.855 38.460 0.218 0.000 1.094 188 Y HN 0.206 nan 8.280 nan 0.000 0.503 189 V N 3.204 123.245 119.914 0.211 0.000 2.385 189 V HA 0.670 4.789 4.120 -0.000 0.000 0.269 189 V C 0.623 176.862 176.094 0.241 0.000 1.043 189 V CA -0.617 61.805 62.300 0.204 0.000 0.906 189 V CB 0.901 32.812 31.823 0.146 0.000 0.995 189 V HN 0.860 nan 8.190 nan 0.000 0.467 190 G N 3.244 112.170 108.800 0.210 0.000 2.461 190 G HA2 0.711 4.671 3.960 -0.000 0.000 0.323 190 G HA3 0.711 4.671 3.960 -0.000 0.000 0.323 190 G C -0.378 174.601 174.900 0.132 0.000 1.229 190 G CA -0.067 45.123 45.100 0.149 0.000 0.941 190 G HN 0.914 nan 8.290 nan 0.000 0.477 191 S N -0.082 115.656 115.700 0.063 0.000 2.806 191 S HA 0.626 5.096 4.470 -0.000 0.000 0.306 191 S C -0.667 173.922 174.600 -0.018 0.000 1.167 191 S CA -0.720 57.526 58.200 0.077 0.000 0.847 191 S CB 2.508 65.865 63.200 0.261 0.000 1.216 191 S HN 0.324 nan 8.310 nan 0.000 0.532 192 D N 0.020 120.425 120.400 0.009 0.000 2.520 192 D HA 0.320 4.959 4.640 -0.000 0.000 0.223 192 D C 0.478 176.776 176.300 -0.004 0.000 1.186 192 D CA -0.009 53.979 54.000 -0.019 0.000 0.821 192 D CB 0.321 41.112 40.800 -0.015 0.000 1.072 192 D HN 0.448 nan 8.370 nan 0.000 0.518 193 L N 1.071 122.316 121.223 0.038 0.000 2.435 193 L HA 0.057 4.397 4.340 -0.000 0.000 0.258 193 L C 1.132 178.026 176.870 0.039 0.000 1.257 193 L CA 0.180 55.052 54.840 0.055 0.000 0.823 193 L CB 0.147 42.273 42.059 0.112 0.000 1.111 193 L HN -0.047 nan 8.230 nan 0.000 0.543 194 E N 0.738 120.961 120.200 0.039 0.000 2.316 194 E HA 0.081 4.430 4.350 -0.000 0.000 0.275 194 E C 0.989 177.626 176.600 0.062 0.000 1.029 194 E CA -0.302 56.112 56.400 0.024 0.000 0.871 194 E CB 0.988 30.697 29.700 0.015 0.000 1.022 194 E HN 0.512 nan 8.360 nan 0.000 0.418 195 I N 4.313 124.910 120.570 0.045 0.000 2.889 195 I HA -0.457 3.713 4.170 -0.000 0.000 0.209 195 I C 2.176 178.377 176.117 0.139 0.000 0.878 195 I CA 2.237 63.595 61.300 0.096 0.000 1.175 195 I CB -1.053 36.979 38.000 0.053 0.000 0.900 195 I HN 0.787 nan 8.210 nan 0.000 0.357 196 G N -0.847 108.004 108.800 0.084 0.000 2.469 196 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.219 196 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.219 196 G C 1.721 176.663 174.900 0.070 0.000 1.150 196 G CA 1.735 46.877 45.100 0.070 0.000 0.763 196 G HN 0.591 nan 8.290 nan 0.000 0.561 197 Q N 0.216 120.060 119.800 0.072 0.000 2.050 197 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 197 Q C 2.260 178.314 176.000 0.089 0.000 0.980 197 Q CA 2.131 57.972 55.803 0.064 0.000 0.840 197 Q CB -1.004 27.768 28.738 0.056 0.000 0.898 197 Q HN 0.839 nan 8.270 nan 0.000 0.424 198 H N 0.116 119.211 119.070 0.043 0.000 2.253 198 H HA -0.086 4.469 4.556 -0.000 0.000 0.296 198 H C 2.358 177.727 175.328 0.069 0.000 1.067 198 H CA 3.990 60.074 56.048 0.059 0.000 1.245 198 H CB -0.463 29.337 29.762 0.064 0.000 1.364 198 H HN 0.569 nan 8.280 nan 0.000 0.494 199 R N -0.282 120.203 120.500 -0.024 0.000 2.174 199 R HA -0.189 4.151 4.340 -0.000 0.000 0.253 199 R C 2.485 178.744 176.300 -0.069 0.000 1.165 199 R CA 2.342 58.404 56.100 -0.064 0.000 0.984 199 R CB -2.072 28.277 30.300 0.081 0.000 0.873 199 R HN 0.693 nan 8.270 nan 0.000 0.456 200 T N -0.132 114.405 114.554 -0.030 0.000 2.894 200 T HA -0.031 4.319 4.350 -0.000 0.000 0.258 200 T C 1.984 176.678 174.700 -0.010 0.000 1.043 200 T CA 1.131 63.228 62.100 -0.005 0.000 1.141 200 T CB -0.133 68.743 68.868 0.013 0.000 0.873 200 T HN 0.442 nan 8.240 nan 0.000 0.449 201 K N 1.420 121.804 120.400 -0.027 0.000 2.152 201 K HA -0.022 4.298 4.320 -0.000 0.000 0.206 201 K C 1.949 178.579 176.600 0.049 0.000 1.048 201 K CA 0.980 57.282 56.287 0.025 0.000 0.933 201 K CB -0.739 31.782 32.500 0.036 0.000 0.721 201 K HN 0.206 nan 8.250 nan 0.000 0.447 202 I N 0.750 121.252 120.570 -0.113 0.000 2.113 202 I HA -0.199 3.971 4.170 -0.000 0.000 0.238 202 I C 2.153 178.259 176.117 -0.018 0.000 1.070 202 I CA 1.407 62.645 61.300 -0.102 0.000 1.332 202 I CB -1.221 36.658 38.000 -0.201 0.000 1.044 202 I HN 0.290 nan 8.210 nan 0.000 0.402 203 E N 1.189 121.383 120.200 -0.009 0.000 2.209 203 E HA -0.272 4.078 4.350 -0.000 0.000 0.196 203 E C 2.076 178.714 176.600 0.064 0.000 0.993 203 E CA 1.452 57.866 56.400 0.023 0.000 0.819 203 E CB -0.207 29.509 29.700 0.026 0.000 0.745 203 E HN 0.466 nan 8.360 nan 0.000 0.477 204 E N -0.946 119.314 120.200 0.100 0.000 2.150 204 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 204 E C 1.790 178.565 176.600 0.292 0.000 0.985 204 E CA 0.895 57.403 56.400 0.179 0.000 0.814 204 E CB -0.054 29.753 29.700 0.179 0.000 0.752 204 E HN 0.319 nan 8.360 nan 0.000 0.466 205 L N 0.853 122.193 121.223 0.195 0.000 2.102 205 L HA -0.015 4.325 4.340 -0.000 0.000 0.202 205 L C 2.096 178.947 176.870 -0.031 0.000 1.076 205 L CA 1.290 56.077 54.840 -0.089 0.000 0.761 205 L CB -0.492 41.316 42.059 -0.418 0.000 0.921 205 L HN -0.048 nan 8.230 nan 0.000 0.444 206 R N 0.057 120.547 120.500 -0.017 0.000 2.162 206 R HA -0.284 4.056 4.340 -0.000 0.000 0.245 206 R C 2.227 178.541 176.300 0.022 0.000 1.129 206 R CA 2.451 58.545 56.100 -0.011 0.000 0.940 206 R CB -1.111 29.189 30.300 -0.001 0.000 0.875 206 R HN 0.562 nan 8.270 nan 0.000 0.437 207 Q N -1.188 118.651 119.800 0.066 0.000 2.291 207 Q HA -0.154 4.186 4.340 -0.000 0.000 0.205 207 Q C 1.944 178.028 176.000 0.140 0.000 0.970 207 Q CA 1.284 57.140 55.803 0.089 0.000 0.876 207 Q CB -0.166 28.629 28.738 0.095 0.000 0.935 207 Q HN 0.439 nan 8.270 nan 0.000 0.455 208 H N 0.498 119.614 119.070 0.077 0.000 2.256 208 H HA -0.114 4.442 4.556 -0.000 0.000 0.299 208 H C 1.624 177.027 175.328 0.124 0.000 1.071 208 H CA 1.836 57.951 56.048 0.112 0.000 1.280 208 H CB -0.424 29.407 29.762 0.114 0.000 1.370 208 H HN 0.136 nan 8.280 nan 0.000 0.490 209 L N -0.499 120.638 121.223 -0.143 0.000 1.941 209 L HA -0.257 4.083 4.340 -0.000 0.000 0.224 209 L C 2.682 179.523 176.870 -0.049 0.000 1.081 209 L CA 1.655 56.411 54.840 -0.140 0.000 0.784 209 L CB -0.972 41.042 42.059 -0.075 0.000 0.894 209 L HN 0.333 nan 8.230 nan 0.000 0.436 210 L N 0.327 121.541 121.223 -0.015 0.000 2.011 210 L HA -0.322 4.018 4.340 -0.000 0.000 0.225 210 L C 2.861 179.746 176.870 0.025 0.000 1.084 210 L CA 2.635 57.477 54.840 0.004 0.000 0.791 210 L CB -0.666 41.402 42.059 0.014 0.000 0.898 210 L HN 0.342 nan 8.230 nan 0.000 0.440 211 R N -2.094 118.442 120.500 0.061 0.000 2.066 211 R HA -0.209 4.130 4.340 -0.000 0.000 0.232 211 R C 2.213 178.582 176.300 0.115 0.000 1.131 211 R CA 1.676 57.833 56.100 0.095 0.000 0.955 211 R CB -1.145 29.242 30.300 0.145 0.000 0.851 211 R HN 0.495 nan 8.270 nan 0.000 0.432 212 W N 0.999 122.243 121.300 -0.093 0.000 2.376 212 W HA 0.140 4.800 4.660 -0.000 0.000 0.324 212 W C 1.999 178.474 176.519 -0.072 0.000 1.191 212 W CA 2.247 59.534 57.345 -0.098 0.000 1.282 212 W CB -0.803 28.524 29.460 -0.221 0.000 1.185 212 W HN 0.266 nan 8.180 nan 0.000 0.458 213 G N -0.152 108.665 108.800 0.028 0.000 3.383 213 G HA2 0.144 4.104 3.960 -0.000 0.000 0.251 213 G HA3 0.144 4.104 3.960 -0.000 0.000 0.251 213 G C 0.783 175.672 174.900 -0.019 0.000 1.203 213 G CA 0.232 45.306 45.100 -0.044 0.000 0.852 213 G HN 0.359 nan 8.290 nan 0.000 0.531 214 L N 0.216 121.420 121.223 -0.032 0.000 4.839 214 L HA -0.241 4.099 4.340 -0.000 0.000 0.445 214 L C 1.645 178.508 176.870 -0.011 0.000 1.101 214 L CA 1.639 56.468 54.840 -0.018 0.000 0.952 214 L CB -2.216 39.831 42.059 -0.021 0.000 1.871 214 L HN 0.480 nan 8.230 nan 0.000 0.893 215 T N -2.558 111.996 114.554 -0.000 0.000 2.856 215 T HA 0.317 4.667 4.350 -0.000 0.000 0.329 215 T C 0.535 175.206 174.700 -0.049 0.000 1.094 215 T CA 0.370 62.455 62.100 -0.026 0.000 1.112 215 T CB 0.589 69.460 68.868 0.006 0.000 1.009 215 T HN 0.406 nan 8.240 nan 0.000 0.550 216 T N 3.571 118.074 114.554 -0.084 0.000 3.209 216 T HA 0.421 4.771 4.350 -0.000 0.000 0.366 216 T C -2.481 172.167 174.700 -0.085 0.000 1.293 216 T CA -0.818 61.240 62.100 -0.071 0.000 1.417 216 T CB 0.935 69.766 68.868 -0.060 0.000 1.013 216 T HN 0.502 nan 8.240 nan 0.000 0.572 217 P HA 0.428 nan 4.420 nan 0.000 0.291 217 P C -0.725 176.535 177.300 -0.067 0.000 1.287 217 P CA -0.342 62.709 63.100 -0.082 0.000 0.767 217 P CB 0.518 32.175 31.700 -0.071 0.000 1.290 218 D N -2.192 118.169 120.400 -0.066 0.000 2.601 218 D HA 0.272 4.912 4.640 -0.000 0.000 0.230 218 D C -0.979 175.296 176.300 -0.042 0.000 1.106 218 D CA -0.879 53.089 54.000 -0.053 0.000 0.873 218 D CB 0.990 41.752 40.800 -0.064 0.000 1.515 218 D HN 0.204 nan 8.370 nan 0.000 0.468 219 K N 0.229 120.613 120.400 -0.027 0.000 2.285 219 K HA 0.498 4.817 4.320 -0.000 0.000 0.286 219 K C 0.931 177.510 176.600 -0.034 0.000 1.072 219 K CA -0.861 55.420 56.287 -0.011 0.000 0.913 219 K CB 1.133 33.644 32.500 0.018 0.000 1.067 219 K HN 0.442 nan 8.250 nan 0.000 0.479 220 K N 3.658 124.005 120.400 -0.089 0.000 1.974 220 K HA -0.189 4.131 4.320 -0.000 0.000 0.232 220 K C 0.578 177.054 176.600 -0.206 0.000 1.027 220 K CA 2.303 58.446 56.287 -0.240 0.000 1.049 220 K CB -1.537 30.650 32.500 -0.522 0.000 0.732 220 K HN 0.934 nan 8.250 nan 0.000 0.452 221 H N -2.341 116.733 119.070 0.005 0.000 2.495 221 H HA 0.563 5.119 4.556 -0.000 0.000 0.350 221 H C 0.646 175.974 175.328 -0.001 0.000 1.202 221 H CA -0.113 55.936 56.048 0.002 0.000 1.322 221 H CB 0.630 30.394 29.762 0.003 0.000 1.544 221 H HN 0.590 nan 8.280 nan 0.000 0.565 222 Q N 0.471 120.354 119.800 0.139 0.000 2.963 222 Q HA 0.503 4.843 4.340 -0.000 0.000 0.262 222 Q C 0.829 176.861 176.000 0.053 0.000 1.318 222 Q CA -0.482 55.367 55.803 0.075 0.000 1.089 222 Q CB -1.101 27.662 28.738 0.041 0.000 1.424 222 Q HN 1.074 nan 8.270 nan 0.000 0.560 223 K N -1.511 118.919 120.400 0.051 0.000 3.077 223 K HA 0.128 4.448 4.320 -0.000 0.000 0.264 223 K C 0.023 176.607 176.600 -0.027 0.000 1.008 223 K CA 2.202 58.488 56.287 -0.001 0.000 0.740 223 K CB -2.659 29.844 32.500 0.005 0.000 1.273 223 K HN 2.404 nan 8.250 nan 0.000 0.477 224 E N 0.094 120.270 120.200 -0.040 0.000 2.343 224 E HA 0.624 4.974 4.350 -0.000 0.000 0.286 224 E C -3.148 173.416 176.600 -0.060 0.000 0.915 224 E CA -0.744 55.632 56.400 -0.040 0.000 0.784 224 E CB 1.578 31.276 29.700 -0.003 0.000 1.251 224 E HN 0.427 nan 8.360 nan 0.000 0.407 225 P HA 0.356 nan 4.420 nan 0.000 0.227 225 P C -2.103 175.185 177.300 -0.019 0.000 1.815 225 P CA -1.171 61.890 63.100 -0.065 0.000 1.134 225 P CB 0.889 32.537 31.700 -0.086 0.000 1.795 226 P HA 0.124 nan 4.420 nan 0.000 0.245 226 P C 0.660 177.966 177.300 0.009 0.000 1.212 226 P CA 0.423 63.527 63.100 0.007 0.000 0.774 226 P CB -0.473 31.235 31.700 0.014 0.000 0.999 227 F N -1.137 118.821 119.950 0.013 0.000 3.028 227 F HA -0.137 4.390 4.527 -0.000 0.000 0.306 227 F C 0.010 175.820 175.800 0.018 0.000 0.896 227 F CA 0.185 58.193 58.000 0.013 0.000 1.184 227 F CB -2.692 36.312 39.000 0.005 0.000 1.213 227 F HN 0.083 nan 8.300 nan 0.000 0.629 228 L N -1.983 119.258 121.223 0.030 0.000 2.512 228 L HA 0.472 4.812 4.340 -0.000 0.000 0.291 228 L C -0.021 176.876 176.870 0.045 0.000 1.360 228 L CA 0.288 55.144 54.840 0.027 0.000 0.655 228 L CB -0.360 41.709 42.059 0.016 0.000 0.968 228 L HN 1.233 nan 8.230 nan 0.000 0.517 229 W N 0.542 121.886 121.300 0.074 0.000 2.992 229 W HA 0.905 5.565 4.660 -0.000 0.000 0.342 229 W C -0.423 176.149 176.519 0.088 0.000 1.176 229 W CA 0.081 57.502 57.345 0.126 0.000 1.118 229 W CB 1.556 31.207 29.460 0.318 0.000 1.457 229 W HN 0.101 nan 8.180 nan 0.000 0.573 230 M N -0.143 119.452 119.600 -0.009 0.000 3.693 230 M HA 0.902 5.382 4.480 -0.000 0.000 0.313 230 M C 0.482 176.631 176.300 -0.252 0.000 1.498 230 M CA 0.318 55.572 55.300 -0.077 0.000 0.845 230 M CB 1.157 33.714 32.600 -0.072 0.000 1.920 230 M HN 2.330 nan 8.290 nan 0.000 0.471 231 G N -2.199 106.516 108.800 -0.141 0.000 3.912 231 G HA2 0.475 4.435 3.960 -0.000 0.000 0.203 231 G HA3 0.475 4.435 3.960 -0.000 0.000 0.203 231 G C -0.322 174.599 174.900 0.036 0.000 1.112 231 G CA 0.942 45.973 45.100 -0.115 0.000 0.871 231 G HN 2.181 nan 8.290 nan 0.000 0.549 232 Y N 1.229 121.484 120.300 -0.075 0.000 3.016 232 Y HA -0.195 4.355 4.550 -0.000 0.000 0.152 232 Y C -0.202 175.665 175.900 -0.056 0.000 1.832 232 Y CA 0.288 58.351 58.100 -0.062 0.000 0.998 232 Y CB -1.251 37.159 38.460 -0.084 0.000 1.507 232 Y HN 0.374 nan 8.280 nan 0.000 0.378 233 E N 2.975 123.077 120.200 -0.163 0.000 2.166 233 E HA 0.661 5.011 4.350 -0.000 0.000 0.275 233 E C -0.589 175.778 176.600 -0.388 0.000 0.941 233 E CA -0.904 55.382 56.400 -0.190 0.000 0.784 233 E CB 1.667 31.265 29.700 -0.170 0.000 1.115 233 E HN 0.274 nan 8.360 nan 0.000 0.399 234 L N 3.006 124.027 121.223 -0.338 0.000 2.334 234 L HA 0.390 4.730 4.340 -0.000 0.000 0.276 234 L C -0.356 176.173 176.870 -0.568 0.000 1.014 234 L CA -0.862 53.810 54.840 -0.280 0.000 0.815 234 L CB 1.283 43.408 42.059 0.110 0.000 1.268 234 L HN 0.534 nan 8.230 nan 0.000 0.428 235 H N 3.069 121.938 119.070 -0.336 0.000 2.418 235 H HA 0.173 4.729 4.556 -0.000 0.000 0.238 235 H C -1.909 172.840 175.328 -0.965 0.000 1.403 235 H CA -1.896 53.877 56.048 -0.459 0.000 1.419 235 H CB 0.710 30.307 29.762 -0.276 0.000 1.463 235 H HN 0.400 nan 8.280 nan 0.000 0.515 236 P HA -0.202 nan 4.420 nan 0.000 0.217 236 P C 0.908 177.663 177.300 -0.907 0.000 1.148 236 P CA 1.407 63.675 63.100 -1.386 0.000 0.828 236 P CB 0.352 31.764 31.700 -0.480 0.000 0.783 237 D N 1.137 121.254 120.400 -0.471 0.000 2.309 237 D HA -0.193 4.447 4.640 -0.000 0.000 0.212 237 D C 1.836 177.999 176.300 -0.228 0.000 0.968 237 D CA 1.073 54.915 54.000 -0.263 0.000 0.882 237 D CB -0.754 39.944 40.800 -0.171 0.000 0.918 237 D HN 0.335 nan 8.370 nan 0.000 0.503 238 K N -0.151 120.057 120.400 -0.320 0.000 2.418 238 K HA 0.016 4.336 4.320 -0.000 0.000 0.195 238 K C -0.339 176.296 176.600 0.058 0.000 1.035 238 K CA -0.125 56.085 56.287 -0.128 0.000 1.003 238 K CB -0.208 32.242 32.500 -0.083 0.000 0.793 238 K HN 0.364 nan 8.250 nan 0.000 0.494 239 W N 0.988 122.311 121.300 0.038 0.000 2.478 239 W HA 0.691 5.351 4.660 -0.000 0.000 0.318 239 W C -1.283 175.252 176.519 0.025 0.000 1.062 239 W CA -0.774 56.594 57.345 0.039 0.000 1.210 239 W CB 0.921 30.416 29.460 0.059 0.000 1.325 239 W HN -0.171 nan 8.180 nan 0.000 0.496 240 T N 2.005 116.722 114.554 0.271 0.000 3.253 240 T HA 0.406 4.756 4.350 -0.000 0.000 0.398 240 T C -1.719 173.054 174.700 0.122 0.000 1.770 240 T CA -0.671 61.527 62.100 0.164 0.000 1.100 240 T CB 0.892 69.833 68.868 0.121 0.000 1.663 240 T HN 0.948 nan 8.240 nan 0.000 0.482 241 V N 1.530 121.502 119.914 0.097 0.000 3.285 241 V HA 0.813 4.933 4.120 -0.000 0.000 0.293 241 V C -1.865 174.274 176.094 0.076 0.000 1.563 241 V CA -0.611 61.737 62.300 0.079 0.000 1.058 241 V CB 2.460 34.329 31.823 0.077 0.000 1.142 241 V HN 0.896 nan 8.190 nan 0.000 0.470 242 Q N 2.224 122.062 119.800 0.063 0.000 3.048 242 Q HA 0.473 4.813 4.340 -0.000 0.000 0.337 242 Q C -2.061 173.967 176.000 0.047 0.000 0.845 242 Q CA -1.049 54.790 55.803 0.061 0.000 0.942 242 Q CB 1.284 30.044 28.738 0.038 0.000 1.454 242 Q HN 0.592 nan 8.270 nan 0.000 0.392 243 P HA -0.083 nan 4.420 nan 0.000 0.231 243 P C -0.183 177.122 177.300 0.009 0.000 1.158 243 P CA 0.661 63.792 63.100 0.052 0.000 0.763 243 P CB 0.156 31.912 31.700 0.094 0.000 0.805 244 I N 1.016 121.590 120.570 0.006 0.000 2.278 244 I HA 0.178 4.348 4.170 -0.000 0.000 0.296 244 I C 0.258 176.347 176.117 -0.047 0.000 1.121 244 I CA -0.420 60.852 61.300 -0.046 0.000 1.267 244 I CB 0.901 38.879 38.000 -0.037 0.000 1.447 244 I HN -0.237 nan 8.210 nan 0.000 0.509 245 V N 7.749 127.617 119.914 -0.076 0.000 2.760 245 V HA 0.483 4.603 4.120 -0.000 0.000 0.309 245 V C -0.380 175.686 176.094 -0.046 0.000 1.077 245 V CA -0.655 61.614 62.300 -0.051 0.000 0.910 245 V CB 2.224 34.027 31.823 -0.034 0.000 1.008 245 V HN 0.512 nan 8.190 nan 0.000 0.424 246 L N 8.155 129.375 121.223 -0.005 0.000 2.426 246 L HA 0.426 4.766 4.340 -0.000 0.000 0.271 246 L C -1.921 175.001 176.870 0.086 0.000 1.169 246 L CA -1.449 53.421 54.840 0.051 0.000 0.836 246 L CB 0.840 42.939 42.059 0.067 0.000 1.112 246 L HN 0.531 nan 8.230 nan 0.000 0.465 247 P HA 0.100 nan 4.420 nan 0.000 0.276 247 P C -0.878 176.499 177.300 0.129 0.000 1.243 247 P CA -0.288 62.863 63.100 0.084 0.000 0.768 247 P CB 0.961 32.687 31.700 0.043 0.000 0.856 248 E N 3.353 123.592 120.200 0.064 0.000 2.229 248 E HA 0.239 4.589 4.350 -0.000 0.000 0.283 248 E C 0.026 176.584 176.600 -0.071 0.000 1.030 248 E CA -0.502 55.951 56.400 0.088 0.000 0.836 248 E CB 0.631 30.371 29.700 0.067 0.000 1.068 248 E HN 0.425 nan 8.360 nan 0.000 0.401 249 K N 1.811 122.118 120.400 -0.154 0.000 2.522 249 K HA 0.275 4.595 4.320 -0.000 0.000 0.275 249 K C -0.671 175.790 176.600 -0.233 0.000 1.006 249 K CA -0.636 55.435 56.287 -0.361 0.000 0.890 249 K CB 1.220 33.248 32.500 -0.787 0.000 1.475 249 K HN 0.258 nan 8.250 nan 0.000 0.441 250 D N 0.148 120.420 120.400 -0.213 0.000 2.202 250 D HA -0.067 4.573 4.640 -0.000 0.000 0.214 250 D C 0.258 176.527 176.300 -0.052 0.000 0.967 250 D CA 0.659 54.614 54.000 -0.075 0.000 0.871 250 D CB -0.036 40.729 40.800 -0.057 0.000 1.020 250 D HN 0.500 nan 8.370 nan 0.000 0.474 251 S N -0.909 114.696 115.700 -0.159 0.000 2.478 251 S HA 0.565 5.035 4.470 -0.000 0.000 0.312 251 S C -1.228 173.278 174.600 -0.156 0.000 1.094 251 S CA -1.061 57.107 58.200 -0.054 0.000 1.081 251 S CB 0.694 63.880 63.200 -0.024 0.000 1.007 251 S HN 0.233 nan 8.310 nan 0.000 0.475 252 W N 1.714 123.018 121.300 0.007 0.000 2.578 252 W HA 0.668 5.328 4.660 -0.000 0.000 0.346 252 W C 0.687 177.211 176.519 0.008 0.000 1.075 252 W CA -0.477 56.873 57.345 0.008 0.000 1.233 252 W CB 1.620 31.085 29.460 0.008 0.000 1.358 252 W HN 0.856 nan 8.180 nan 0.000 0.574 253 T N -3.038 111.666 114.554 0.251 0.000 2.883 253 T HA 0.427 4.777 4.350 -0.000 0.000 0.284 253 T C 0.581 175.367 174.700 0.143 0.000 1.041 253 T CA -0.750 61.439 62.100 0.148 0.000 1.007 253 T CB 0.966 69.887 68.868 0.088 0.000 1.220 253 T HN 0.165 nan 8.240 nan 0.000 0.552 254 V N 1.613 121.582 119.914 0.092 0.000 2.261 254 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 254 V C 2.866 179.007 176.094 0.080 0.000 1.047 254 V CA 2.287 64.630 62.300 0.072 0.000 1.015 254 V CB -1.091 30.761 31.823 0.050 0.000 0.642 254 V HN 1.027 nan 8.190 nan 0.000 0.446 255 N N -0.267 118.478 118.700 0.075 0.000 2.443 255 N HA -0.205 4.535 4.740 -0.000 0.000 0.184 255 N C 1.433 177.004 175.510 0.102 0.000 1.037 255 N CA 1.408 54.501 53.050 0.073 0.000 0.896 255 N CB -0.071 38.449 38.487 0.055 0.000 0.959 255 N HN 0.544 nan 8.380 nan 0.000 0.442 256 D N 0.887 121.374 120.400 0.144 0.000 2.149 256 D HA -0.063 4.577 4.640 -0.000 0.000 0.206 256 D C 1.958 178.438 176.300 0.301 0.000 0.967 256 D CA 0.388 54.523 54.000 0.225 0.000 0.848 256 D CB 0.168 41.126 40.800 0.263 0.000 0.998 256 D HN 0.363 nan 8.370 nan 0.000 0.474 257 I N 0.782 121.496 120.570 0.240 0.000 2.315 257 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 257 I C 2.243 178.401 176.117 0.069 0.000 1.117 257 I CA 1.016 62.377 61.300 0.100 0.000 1.404 257 I CB 0.056 38.056 38.000 -0.000 0.000 1.071 257 I HN -0.053 nan 8.210 nan 0.000 0.419 258 Q N 1.107 120.953 119.800 0.077 0.000 1.967 258 Q HA -0.294 4.046 4.340 -0.000 0.000 0.210 258 Q C 2.138 178.181 176.000 0.072 0.000 1.005 258 Q CA 2.457 58.297 55.803 0.061 0.000 0.862 258 Q CB -0.245 28.528 28.738 0.058 0.000 0.939 258 Q HN 0.520 nan 8.270 nan 0.000 0.417 259 K N 0.231 120.685 120.400 0.090 0.000 2.362 259 K HA -0.185 4.135 4.320 -0.000 0.000 0.202 259 K C 1.967 178.631 176.600 0.107 0.000 1.045 259 K CA 0.721 57.066 56.287 0.095 0.000 0.936 259 K CB -0.135 32.427 32.500 0.103 0.000 0.747 259 K HN 0.116 nan 8.250 nan 0.000 0.467 260 L N 0.362 121.653 121.223 0.114 0.000 2.049 260 L HA -0.086 4.254 4.340 -0.000 0.000 0.203 260 L C 1.939 178.840 176.870 0.053 0.000 1.074 260 L CA 1.274 56.174 54.840 0.099 0.000 0.749 260 L CB -0.215 41.897 42.059 0.088 0.000 0.907 260 L HN -0.166 nan 8.230 nan 0.000 0.439 261 V N 0.548 120.479 119.914 0.028 0.000 2.688 261 V HA -0.188 3.932 4.120 -0.000 0.000 0.256 261 V C 2.457 178.586 176.094 0.058 0.000 1.084 261 V CA 1.457 63.770 62.300 0.021 0.000 1.103 261 V CB -1.786 30.042 31.823 0.009 0.000 0.688 261 V HN 0.636 nan 8.190 nan 0.000 0.480 262 G N 0.512 109.356 108.800 0.074 0.000 2.637 262 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.215 262 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.215 262 G C 1.534 176.521 174.900 0.144 0.000 1.289 262 G CA 0.991 46.150 45.100 0.098 0.000 0.816 262 G HN 0.437 nan 8.290 nan 0.000 0.580 263 K N 0.161 120.641 120.400 0.133 0.000 2.015 263 K HA -0.054 4.266 4.320 -0.000 0.000 0.216 263 K C 2.529 179.261 176.600 0.221 0.000 1.052 263 K CA 1.242 57.638 56.287 0.181 0.000 0.937 263 K CB -0.671 31.898 32.500 0.114 0.000 0.719 263 K HN 0.235 nan 8.250 nan 0.000 0.446 264 L N 1.341 122.640 121.223 0.127 0.000 2.051 264 L HA -0.320 4.020 4.340 -0.000 0.000 0.214 264 L C 2.500 179.423 176.870 0.088 0.000 1.076 264 L CA 1.298 56.189 54.840 0.085 0.000 0.758 264 L CB -0.526 41.550 42.059 0.029 0.000 0.890 264 L HN 0.433 nan 8.230 nan 0.000 0.433 265 N N -0.640 118.123 118.700 0.104 0.000 2.142 265 N HA -0.243 4.497 4.740 -0.000 0.000 0.186 265 N C 1.790 177.368 175.510 0.112 0.000 1.023 265 N CA 1.397 54.497 53.050 0.084 0.000 0.852 265 N CB -0.197 38.343 38.487 0.088 0.000 0.998 265 N HN 0.400 nan 8.380 nan 0.000 0.424 266 W N 2.035 123.349 121.300 0.024 0.000 2.354 266 W HA -0.037 4.623 4.660 -0.000 0.000 0.315 266 W C 2.476 179.014 176.519 0.031 0.000 1.206 266 W CA 2.538 59.908 57.345 0.042 0.000 1.290 266 W CB -0.741 28.760 29.460 0.068 0.000 1.152 266 W HN 0.162 nan 8.180 nan 0.000 0.489 267 A N 0.514 123.422 122.820 0.147 0.000 2.009 267 A HA -0.380 3.940 4.320 -0.000 0.000 0.222 267 A C 2.129 179.617 177.584 -0.161 0.000 1.175 267 A CA 3.304 55.333 52.037 -0.014 0.000 0.651 267 A CB -1.740 17.350 19.000 0.151 0.000 0.815 267 A HN 0.522 nan 8.150 nan 0.000 0.459 268 S N -0.337 115.287 115.700 -0.127 0.000 2.400 268 S HA -0.373 4.097 4.470 -0.000 0.000 0.234 268 S C 1.884 176.317 174.600 -0.278 0.000 1.049 268 S CA 1.849 59.963 58.200 -0.143 0.000 1.039 268 S CB -0.764 62.366 63.200 -0.117 0.000 0.856 268 S HN 0.740 nan 8.310 nan 0.000 0.465 269 Q N 0.598 120.102 119.800 -0.493 0.000 2.124 269 Q HA -0.052 4.288 4.340 -0.000 0.000 0.202 269 Q C 2.764 178.380 176.000 -0.639 0.000 0.977 269 Q CA 2.063 57.424 55.803 -0.737 0.000 0.850 269 Q CB -0.774 27.252 28.738 -1.187 0.000 0.901 269 Q HN 0.893 nan 8.270 nan 0.000 0.429 270 I N -1.204 119.087 120.570 -0.465 0.000 2.494 270 I HA -0.018 4.152 4.170 -0.000 0.000 0.250 270 I C 0.680 176.539 176.117 -0.430 0.000 1.112 270 I CA 0.887 61.963 61.300 -0.373 0.000 1.438 270 I CB -0.430 37.273 38.000 -0.495 0.000 1.111 270 I HN -0.012 nan 8.210 nan 0.000 0.431 271 Y N 0.908 121.116 120.300 -0.153 0.000 2.341 271 Y HA 0.492 5.042 4.550 -0.000 0.000 0.340 271 Y C -1.289 174.545 175.900 -0.109 0.000 0.997 271 Y CA -2.969 55.064 58.100 -0.112 0.000 1.149 271 Y CB 0.730 39.127 38.460 -0.104 0.000 1.171 271 Y HN 0.064 nan 8.280 nan 0.000 0.494 272 P HA -0.172 nan 4.420 nan 0.000 0.203 272 P C 0.432 177.739 177.300 0.012 0.000 1.087 272 P CA 1.639 64.754 63.100 0.025 0.000 0.952 272 P CB 0.102 31.833 31.700 0.053 0.000 0.758 273 G N -0.036 108.775 108.800 0.018 0.000 2.530 273 G HA2 0.472 4.432 3.960 -0.000 0.000 0.313 273 G HA3 0.472 4.432 3.960 -0.000 0.000 0.313 273 G C -0.564 174.324 174.900 -0.019 0.000 0.971 273 G CA -0.027 45.070 45.100 -0.005 0.000 1.237 273 G HN 0.173 nan 8.290 nan 0.000 0.446 274 I N 2.165 122.722 120.570 -0.022 0.000 2.563 274 I HA 0.235 4.405 4.170 -0.000 0.000 0.281 274 I C -0.433 175.666 176.117 -0.031 0.000 1.110 274 I CA -0.621 60.661 61.300 -0.030 0.000 1.073 274 I CB 1.988 39.977 38.000 -0.019 0.000 1.215 274 I HN 0.303 nan 8.210 nan 0.000 0.460 275 K N 5.341 125.721 120.400 -0.034 0.000 2.182 275 K HA 0.525 4.845 4.320 -0.000 0.000 0.262 275 K C -0.492 176.087 176.600 -0.035 0.000 0.957 275 K CA -0.272 55.996 56.287 -0.032 0.000 0.842 275 K CB 2.579 35.062 32.500 -0.030 0.000 1.099 275 K HN 0.380 nan 8.250 nan 0.000 0.438 276 V N 4.559 124.454 119.914 -0.032 0.000 3.398 276 V HA 0.090 4.210 4.120 -0.000 0.000 0.298 276 V C 0.912 176.984 176.094 -0.036 0.000 1.496 276 V CA 0.044 62.322 62.300 -0.037 0.000 1.044 276 V CB -0.024 31.782 31.823 -0.029 0.000 0.880 276 V HN 0.761 nan 8.190 nan 0.000 0.443 277 R N 0.613 121.095 120.500 -0.029 0.000 2.276 277 R HA -0.112 4.228 4.340 -0.000 0.000 0.243 277 R C 1.917 178.200 176.300 -0.028 0.000 1.161 277 R CA 1.525 57.610 56.100 -0.025 0.000 1.007 277 R CB -0.440 29.848 30.300 -0.021 0.000 0.867 277 R HN 0.506 nan 8.270 nan 0.000 0.472 278 Q N -0.984 118.794 119.800 -0.036 0.000 2.349 278 Q HA 0.120 4.460 4.340 -0.000 0.000 0.209 278 Q C 1.863 177.834 176.000 -0.049 0.000 0.920 278 Q CA 0.372 56.152 55.803 -0.038 0.000 0.901 278 Q CB -0.089 28.626 28.738 -0.038 0.000 1.021 278 Q HN 0.250 nan 8.270 nan 0.000 0.519 279 L N 1.433 122.618 121.223 -0.064 0.000 2.156 279 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 279 L C 2.237 179.063 176.870 -0.073 0.000 1.095 279 L CA 1.806 56.592 54.840 -0.090 0.000 0.770 279 L CB -0.438 41.550 42.059 -0.117 0.000 0.914 279 L HN 0.161 nan 8.230 nan 0.000 0.439 280 S N -1.716 113.954 115.700 -0.051 0.000 2.414 280 S HA -0.134 4.336 4.470 -0.000 0.000 0.227 280 S C 1.950 176.536 174.600 -0.024 0.000 1.022 280 S CA 0.511 58.691 58.200 -0.033 0.000 0.958 280 S CB -0.494 62.694 63.200 -0.020 0.000 0.797 280 S HN 0.432 nan 8.310 nan 0.000 0.493 281 K N 0.619 121.003 120.400 -0.026 0.000 2.211 281 K HA 0.017 4.337 4.320 -0.000 0.000 0.204 281 K C 1.663 178.252 176.600 -0.018 0.000 1.047 281 K CA 0.991 57.266 56.287 -0.019 0.000 0.935 281 K CB -0.458 32.030 32.500 -0.020 0.000 0.728 281 K HN 0.288 nan 8.250 nan 0.000 0.452 282 L N 0.882 122.089 121.223 -0.026 0.000 2.633 282 L HA -0.073 4.267 4.340 -0.000 0.000 0.235 282 L C 1.277 178.139 176.870 -0.012 0.000 1.163 282 L CA 1.296 56.121 54.840 -0.024 0.000 0.859 282 L CB 0.034 42.068 42.059 -0.042 0.000 0.973 282 L HN 0.112 nan 8.230 nan 0.000 0.451 283 L N -2.540 118.677 121.223 -0.009 0.000 2.672 283 L HA 0.181 4.521 4.340 -0.000 0.000 0.236 283 L C 2.084 178.957 176.870 0.004 0.000 1.092 283 L CA -0.120 54.721 54.840 0.001 0.000 0.887 283 L CB -0.205 41.855 42.059 0.002 0.000 1.168 283 L HN -0.049 nan 8.230 nan 0.000 0.502 284 R N 1.177 121.677 120.500 0.001 0.000 2.388 284 R HA -0.092 4.248 4.340 -0.000 0.000 0.233 284 R C 0.971 177.274 176.300 0.005 0.000 1.156 284 R CA 0.792 56.894 56.100 0.003 0.000 1.036 284 R CB -0.383 29.917 30.300 -0.000 0.000 0.847 284 R HN 0.330 nan 8.270 nan 0.000 0.483 285 G N -0.829 107.975 108.800 0.006 0.000 2.437 285 G HA2 0.196 4.156 3.960 -0.000 0.000 0.319 285 G HA3 0.196 4.156 3.960 -0.000 0.000 0.319 285 G C 0.045 174.952 174.900 0.011 0.000 1.158 285 G CA -0.584 44.520 45.100 0.008 0.000 0.899 285 G HN 0.164 nan 8.290 nan 0.000 0.502 286 T N -0.914 113.646 114.554 0.011 0.000 3.607 286 T HA 0.324 4.674 4.350 -0.000 0.000 0.225 286 T C 0.378 175.086 174.700 0.013 0.000 0.904 286 T CA -0.461 61.646 62.100 0.012 0.000 0.962 286 T CB -0.440 68.434 68.868 0.011 0.000 1.221 286 T HN 0.309 nan 8.240 nan 0.000 0.641 287 K N 1.442 121.851 120.400 0.015 0.000 2.202 287 K HA 0.643 4.963 4.320 -0.000 0.000 0.264 287 K C 0.885 177.496 176.600 0.019 0.000 1.010 287 K CA -0.476 55.822 56.287 0.017 0.000 0.940 287 K CB 0.478 32.989 32.500 0.019 0.000 0.983 287 K HN 0.452 nan 8.250 nan 0.000 0.475 288 A N 1.774 124.606 122.820 0.019 0.000 2.433 288 A HA 0.036 4.356 4.320 -0.000 0.000 0.250 288 A C 0.860 178.458 177.584 0.025 0.000 1.113 288 A CA 0.216 52.264 52.037 0.020 0.000 0.794 288 A CB -0.089 18.922 19.000 0.018 0.000 1.067 288 A HN 0.772 nan 8.150 nan 0.000 0.510 289 L N -0.834 120.404 121.223 0.025 0.000 2.298 289 L HA -0.025 4.315 4.340 -0.000 0.000 0.209 289 L C 2.253 179.143 176.870 0.034 0.000 1.084 289 L CA 1.314 56.173 54.840 0.031 0.000 0.816 289 L CB -0.410 41.666 42.059 0.029 0.000 0.967 289 L HN 0.857 nan 8.230 nan 0.000 0.460 290 T N -1.617 112.954 114.554 0.027 0.000 3.043 290 T HA -0.099 4.251 4.350 -0.000 0.000 0.263 290 T C 0.787 175.505 174.700 0.030 0.000 1.094 290 T CA -0.029 62.086 62.100 0.026 0.000 1.127 290 T CB -0.146 68.733 68.868 0.018 0.000 0.905 290 T HN 0.240 nan 8.240 nan 0.000 0.490 291 E N 2.383 122.601 120.200 0.030 0.000 2.585 291 E HA 0.060 4.410 4.350 -0.000 0.000 0.252 291 E C -0.620 176.006 176.600 0.043 0.000 0.981 291 E CA -0.302 56.116 56.400 0.031 0.000 0.943 291 E CB 0.337 30.054 29.700 0.028 0.000 0.923 291 E HN 0.058 nan 8.360 nan 0.000 0.486 292 V N 6.697 126.637 119.914 0.043 0.000 2.732 292 V HA 0.331 4.451 4.120 -0.000 0.000 0.297 292 V C 0.568 176.700 176.094 0.063 0.000 1.060 292 V CA -0.109 62.227 62.300 0.060 0.000 1.038 292 V CB 0.728 32.581 31.823 0.051 0.000 1.003 292 V HN 0.653 nan 8.190 nan 0.000 0.481 293 I N 2.456 123.078 120.570 0.086 0.000 2.913 293 I HA 0.782 4.952 4.170 -0.000 0.000 0.302 293 I C -2.960 173.215 176.117 0.096 0.000 1.246 293 I CA -2.086 59.257 61.300 0.071 0.000 1.010 293 I CB 2.949 40.979 38.000 0.050 0.000 1.259 293 I HN 0.460 nan 8.210 nan 0.000 0.434 294 P HA 0.435 nan 4.420 nan 0.000 0.285 294 P C -1.092 176.221 177.300 0.022 0.000 1.280 294 P CA -0.690 62.457 63.100 0.077 0.000 0.862 294 P CB 1.796 33.533 31.700 0.061 0.000 1.153 295 L N 0.940 122.160 121.223 -0.006 0.000 2.360 295 L HA 0.172 4.512 4.340 -0.000 0.000 0.276 295 L C 1.490 178.330 176.870 -0.049 0.000 1.121 295 L CA -0.123 54.669 54.840 -0.079 0.000 0.845 295 L CB -0.085 41.883 42.059 -0.151 0.000 1.143 295 L HN 0.412 nan 8.230 nan 0.000 0.452 296 T N 1.609 116.129 114.554 -0.057 0.000 2.718 296 T HA -0.054 4.296 4.350 -0.000 0.000 0.377 296 T C 1.031 175.707 174.700 -0.040 0.000 1.072 296 T CA -0.233 61.843 62.100 -0.040 0.000 1.065 296 T CB 0.690 69.533 68.868 -0.042 0.000 1.194 296 T HN 0.598 nan 8.240 nan 0.000 0.517 297 E N 0.453 120.633 120.200 -0.033 0.000 2.052 297 E HA -0.007 4.343 4.350 -0.000 0.000 0.192 297 E C 2.395 178.973 176.600 -0.036 0.000 0.958 297 E CA 0.614 56.996 56.400 -0.029 0.000 0.835 297 E CB -0.466 29.221 29.700 -0.020 0.000 0.811 297 E HN 0.678 nan 8.360 nan 0.000 0.462 298 E N 1.074 121.254 120.200 -0.033 0.000 2.267 298 E HA -0.160 4.189 4.350 -0.000 0.000 0.197 298 E C 1.757 178.328 176.600 -0.048 0.000 0.998 298 E CA 1.153 57.532 56.400 -0.036 0.000 0.830 298 E CB -0.230 29.452 29.700 -0.030 0.000 0.751 298 E HN 0.147 nan 8.360 nan 0.000 0.491 299 A N 2.046 124.831 122.820 -0.058 0.000 1.855 299 A HA -0.125 4.195 4.320 -0.000 0.000 0.213 299 A C 2.119 179.644 177.584 -0.097 0.000 1.195 299 A CA 0.933 52.921 52.037 -0.081 0.000 0.610 299 A CB -0.262 18.683 19.000 -0.092 0.000 0.837 299 A HN 0.025 nan 8.150 nan 0.000 0.444 300 E N -0.488 119.661 120.200 -0.086 0.000 2.401 300 E HA -0.125 4.224 4.350 -0.000 0.000 0.199 300 E C 1.307 177.870 176.600 -0.062 0.000 1.023 300 E CA 0.517 56.868 56.400 -0.081 0.000 0.859 300 E CB -0.050 29.618 29.700 -0.054 0.000 0.780 300 E HN 0.414 nan 8.360 nan 0.000 0.523 301 L N 0.436 121.626 121.223 -0.056 0.000 2.592 301 L HA 0.057 4.397 4.340 -0.000 0.000 0.227 301 L C 1.617 178.455 176.870 -0.053 0.000 1.127 301 L CA 0.899 55.711 54.840 -0.045 0.000 0.884 301 L CB 0.213 42.250 42.059 -0.037 0.000 1.065 301 L HN -0.145 nan 8.230 nan 0.000 0.457 302 E N -0.963 119.196 120.200 -0.068 0.000 2.110 302 E HA -0.015 4.335 4.350 -0.000 0.000 0.193 302 E C 1.909 178.459 176.600 -0.083 0.000 0.950 302 E CA 0.681 57.037 56.400 -0.073 0.000 0.840 302 E CB -0.366 29.287 29.700 -0.079 0.000 0.809 302 E HN 0.319 nan 8.360 nan 0.000 0.465 303 L N 1.431 122.588 121.223 -0.110 0.000 2.013 303 L HA -0.152 4.187 4.340 -0.000 0.000 0.212 303 L C 2.157 178.987 176.870 -0.067 0.000 1.073 303 L CA 2.511 57.283 54.840 -0.114 0.000 0.753 303 L CB -0.814 41.140 42.059 -0.176 0.000 0.890 303 L HN 0.073 nan 8.230 nan 0.000 0.432 304 A N -0.817 121.970 122.820 -0.055 0.000 1.858 304 A HA -0.277 4.043 4.320 -0.000 0.000 0.216 304 A C 2.367 179.926 177.584 -0.042 0.000 1.190 304 A CA 1.933 53.949 52.037 -0.035 0.000 0.617 304 A CB -0.857 18.125 19.000 -0.029 0.000 0.827 304 A HN 0.662 nan 8.150 nan 0.000 0.443 305 E N -0.178 119.992 120.200 -0.049 0.000 2.028 305 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 305 E C 1.897 178.456 176.600 -0.069 0.000 0.988 305 E CA 1.291 57.659 56.400 -0.053 0.000 0.799 305 E CB -0.295 29.376 29.700 -0.050 0.000 0.755 305 E HN 0.751 nan 8.360 nan 0.000 0.447 306 N N -0.028 118.627 118.700 -0.075 0.000 2.244 306 N HA -0.102 4.638 4.740 -0.000 0.000 0.183 306 N C 1.972 177.418 175.510 -0.107 0.000 1.016 306 N CA 0.243 53.237 53.050 -0.094 0.000 0.866 306 N CB 0.028 38.467 38.487 -0.081 0.000 0.980 306 N HN 0.088 nan 8.380 nan 0.000 0.430 307 R N 0.904 121.357 120.500 -0.078 0.000 2.159 307 R HA -0.148 4.192 4.340 -0.000 0.000 0.237 307 R C 1.563 177.808 176.300 -0.090 0.000 1.131 307 R CA 1.058 57.117 56.100 -0.068 0.000 0.982 307 R CB -0.085 30.196 30.300 -0.032 0.000 0.868 307 R HN 0.258 nan 8.270 nan 0.000 0.453 308 E N 0.543 120.689 120.200 -0.091 0.000 2.250 308 E HA 0.021 4.371 4.350 -0.000 0.000 0.192 308 E C 1.516 178.032 176.600 -0.139 0.000 0.986 308 E CA 0.476 56.819 56.400 -0.094 0.000 0.849 308 E CB 0.109 29.769 29.700 -0.067 0.000 0.797 308 E HN 0.280 nan 8.360 nan 0.000 0.482 309 I N 0.252 120.716 120.570 -0.177 0.000 3.564 309 I HA -0.048 4.122 4.170 -0.000 0.000 0.294 309 I C 0.560 176.397 176.117 -0.466 0.000 1.289 309 I CA 0.073 61.223 61.300 -0.249 0.000 1.325 309 I CB 0.199 38.075 38.000 -0.207 0.000 1.039 309 I HN 0.042 nan 8.210 nan 0.000 0.474 310 L N 0.576 121.567 121.223 -0.388 0.000 2.928 310 L HA 0.198 4.538 4.340 -0.000 0.000 0.246 310 L C 1.296 178.013 176.870 -0.255 0.000 1.239 310 L CA 0.813 55.381 54.840 -0.454 0.000 1.035 310 L CB -0.548 41.348 42.059 -0.272 0.000 1.360 310 L HN 0.070 nan 8.230 nan 0.000 0.529 311 K N -1.154 119.121 120.400 -0.208 0.000 2.544 311 K HA 0.213 4.533 4.320 -0.000 0.000 0.213 311 K C -0.093 176.457 176.600 -0.083 0.000 1.392 311 K CA -0.008 56.216 56.287 -0.104 0.000 0.980 311 K CB 1.356 33.811 32.500 -0.075 0.000 1.177 311 K HN -0.050 nan 8.250 nan 0.000 0.570 312 E N 2.169 122.294 120.200 -0.125 0.000 2.103 312 E HA 0.210 4.560 4.350 -0.000 0.000 0.254 312 E C -2.628 173.941 176.600 -0.052 0.000 0.940 312 E CA -2.045 54.300 56.400 -0.091 0.000 0.771 312 E CB 0.869 30.504 29.700 -0.108 0.000 1.153 312 E HN -0.021 nan 8.360 nan 0.000 0.428 313 P HA -0.140 nan 4.420 nan 0.000 0.269 313 P C -0.079 177.264 177.300 0.073 0.000 1.200 313 P CA -0.019 63.165 63.100 0.140 0.000 0.779 313 P CB 0.473 32.218 31.700 0.074 0.000 0.841 314 V N 1.806 121.789 119.914 0.115 0.000 3.803 314 V HA -0.140 3.980 4.120 -0.000 0.000 0.300 314 V C 1.577 177.664 176.094 -0.011 0.000 1.111 314 V CA 0.809 63.132 62.300 0.037 0.000 1.189 314 V CB -0.220 31.598 31.823 -0.009 0.000 1.118 314 V HN 0.669 nan 8.190 nan 0.000 0.486 315 H N 1.065 120.171 119.070 0.060 0.000 2.329 315 H HA 0.187 4.743 4.556 -0.000 0.000 0.285 315 H C 2.068 177.459 175.328 0.105 0.000 1.062 315 H CA 1.091 57.182 56.048 0.072 0.000 1.511 315 H CB -0.699 29.117 29.762 0.090 0.000 1.471 315 H HN 0.754 nan 8.280 nan 0.000 0.613 316 G N 1.365 110.336 108.800 0.286 0.000 2.601 316 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.214 316 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.214 316 G C 0.269 175.343 174.900 0.290 0.000 1.132 316 G CA 0.345 45.615 45.100 0.284 0.000 0.761 316 G HN 0.131 nan 8.290 nan 0.000 0.550 317 V N 1.243 121.235 119.914 0.130 0.000 2.324 317 V HA 0.186 4.306 4.120 -0.000 0.000 0.244 317 V C -0.420 175.603 176.094 -0.118 0.000 1.144 317 V CA -0.094 62.230 62.300 0.040 0.000 1.158 317 V CB -1.326 30.502 31.823 0.009 0.000 1.254 317 V HN 0.243 nan 8.190 nan 0.000 0.492 318 Y N 1.898 122.278 120.300 0.133 0.000 2.524 318 Y HA 0.452 5.002 4.550 -0.000 0.000 0.344 318 Y C -0.147 175.865 175.900 0.185 0.000 1.012 318 Y CA -1.370 56.828 58.100 0.162 0.000 1.068 318 Y CB 1.638 40.166 38.460 0.114 0.000 1.249 318 Y HN 0.477 nan 8.280 nan 0.000 0.468 319 Y N 2.917 123.384 120.300 0.278 0.000 2.539 319 Y HA 0.151 4.701 4.550 -0.000 0.000 0.352 319 Y C -0.127 175.846 175.900 0.120 0.000 1.004 319 Y CA -0.808 57.403 58.100 0.184 0.000 1.278 319 Y CB 0.021 38.671 38.460 0.318 0.000 1.136 319 Y HN 0.485 nan 8.280 nan 0.000 0.528 320 D N 9.372 129.503 120.400 -0.447 0.000 2.374 320 D HA 0.119 4.759 4.640 -0.000 0.000 0.240 320 D C -1.854 173.957 176.300 -0.815 0.000 1.229 320 D CA -1.992 51.741 54.000 -0.444 0.000 0.895 320 D CB 1.354 42.013 40.800 -0.234 0.000 1.046 320 D HN 0.414 nan 8.370 nan 0.000 0.498 321 P HA -0.070 nan 4.420 nan 0.000 0.242 321 P C 0.835 177.984 177.300 -0.253 0.000 1.197 321 P CA 0.360 63.133 63.100 -0.544 0.000 0.765 321 P CB 0.274 31.888 31.700 -0.145 0.000 0.936 322 S N -1.375 114.183 115.700 -0.237 0.000 2.441 322 S HA 0.090 4.560 4.470 -0.000 0.000 0.224 322 S C 1.050 175.565 174.600 -0.141 0.000 1.043 322 S CA 0.031 58.143 58.200 -0.146 0.000 0.948 322 S CB -0.368 62.762 63.200 -0.116 0.000 0.810 322 S HN 0.095 nan 8.310 nan 0.000 0.504 323 K N 1.952 122.245 120.400 -0.179 0.000 2.098 323 K HA 0.412 4.732 4.320 -0.000 0.000 0.244 323 K C -1.095 175.413 176.600 -0.153 0.000 1.014 323 K CA -0.497 55.704 56.287 -0.143 0.000 0.917 323 K CB 0.311 32.728 32.500 -0.137 0.000 1.072 323 K HN 0.393 nan 8.250 nan 0.000 0.477 324 D N -0.101 120.230 120.400 -0.116 0.000 2.340 324 D HA 0.326 4.966 4.640 -0.000 0.000 0.243 324 D C -0.552 175.661 176.300 -0.145 0.000 0.988 324 D CA -0.742 53.189 54.000 -0.115 0.000 0.959 324 D CB 0.610 41.354 40.800 -0.094 0.000 1.226 324 D HN 0.182 nan 8.370 nan 0.000 0.509 325 L N 0.252 121.356 121.223 -0.198 0.000 2.380 325 L HA 0.354 4.694 4.340 -0.000 0.000 0.273 325 L C -0.075 176.614 176.870 -0.301 0.000 1.138 325 L CA -0.364 54.300 54.840 -0.293 0.000 0.832 325 L CB 0.277 42.078 42.059 -0.430 0.000 1.124 325 L HN 0.243 nan 8.230 nan 0.000 0.454 326 I N 2.685 123.069 120.570 -0.310 0.000 2.404 326 I HA 0.543 4.713 4.170 -0.000 0.000 0.293 326 I C -0.099 175.624 176.117 -0.658 0.000 0.992 326 I CA -0.445 60.622 61.300 -0.388 0.000 1.149 326 I CB 1.909 39.809 38.000 -0.166 0.000 1.315 326 I HN 0.644 nan 8.210 nan 0.000 0.446 327 A N 6.035 128.438 122.820 -0.695 0.000 2.319 327 A HA 0.588 4.907 4.320 -0.000 0.000 0.310 327 A C -0.649 176.670 177.584 -0.442 0.000 1.152 327 A CA -0.526 51.100 52.037 -0.685 0.000 0.783 327 A CB 0.749 19.106 19.000 -1.072 0.000 1.184 327 A HN 0.731 nan 8.150 nan 0.000 0.474 328 E N 2.098 122.054 120.200 -0.406 0.000 2.151 328 E HA 0.543 4.893 4.350 -0.000 0.000 0.275 328 E C -1.032 175.500 176.600 -0.114 0.000 0.936 328 E CA -0.273 55.983 56.400 -0.241 0.000 0.777 328 E CB 1.813 31.341 29.700 -0.286 0.000 1.108 328 E HN 0.652 nan 8.360 nan 0.000 0.401 329 I N 2.994 123.553 120.570 -0.019 0.000 2.603 329 I HA 0.234 4.404 4.170 -0.000 0.000 0.300 329 I C -0.379 175.800 176.117 0.103 0.000 1.017 329 I CA -0.871 60.474 61.300 0.074 0.000 1.098 329 I CB 1.631 39.672 38.000 0.070 0.000 1.279 329 I HN 0.353 nan 8.210 nan 0.000 0.437 330 Q N 4.831 124.737 119.800 0.177 0.000 2.305 330 Q HA 0.357 4.697 4.340 -0.000 0.000 0.271 330 Q C -1.116 174.988 176.000 0.174 0.000 1.046 330 Q CA -1.054 54.836 55.803 0.144 0.000 0.798 330 Q CB 2.380 31.134 28.738 0.028 0.000 1.286 330 Q HN 0.505 nan 8.270 nan 0.000 0.435 331 K N 1.639 122.060 120.400 0.035 0.000 2.436 331 K HA -0.073 4.247 4.320 -0.000 0.000 0.282 331 K C 0.374 176.733 176.600 -0.402 0.000 1.044 331 K CA 0.390 56.360 56.287 -0.528 0.000 1.028 331 K CB 0.672 32.878 32.500 -0.490 0.000 0.919 331 K HN 0.551 nan 8.250 nan 0.000 0.474 332 Q N 2.867 122.356 119.800 -0.518 0.000 2.394 332 Q HA 0.217 4.557 4.340 -0.000 0.000 0.218 332 Q C -0.320 175.501 176.000 -0.298 0.000 0.907 332 Q CA 1.128 56.764 55.803 -0.278 0.000 0.919 332 Q CB 0.837 29.505 28.738 -0.118 0.000 1.051 332 Q HN 0.926 nan 8.270 nan 0.000 0.538 333 G N 0.546 109.109 108.800 -0.396 0.000 2.764 333 G HA2 0.055 4.015 3.960 -0.000 0.000 0.678 333 G HA3 0.055 4.015 3.960 -0.000 0.000 0.678 333 G C -1.396 173.388 174.900 -0.194 0.000 1.341 333 G CA -0.473 44.463 45.100 -0.273 0.000 0.836 333 G HN 0.166 nan 8.290 nan 0.000 0.632 334 Q N -0.876 118.837 119.800 -0.145 0.000 2.453 334 Q HA -0.150 4.190 4.340 -0.000 0.000 0.330 334 Q C 1.442 177.417 176.000 -0.041 0.000 1.417 334 Q CA 2.239 57.996 55.803 -0.076 0.000 0.902 334 Q CB -2.018 26.684 28.738 -0.060 0.000 1.154 334 Q HN 2.998 nan 8.270 nan 0.000 0.395 335 G N -0.227 108.557 108.800 -0.027 0.000 2.203 335 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.263 335 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.263 335 G C -0.047 174.959 174.900 0.177 0.000 1.012 335 G CA 0.874 46.053 45.100 0.132 0.000 0.749 335 G HN 0.475 nan 8.290 nan 0.000 0.512 336 Q N -1.386 118.381 119.800 -0.054 0.000 2.337 336 Q HA 0.629 4.969 4.340 -0.000 0.000 0.266 336 Q C -1.105 174.831 176.000 -0.107 0.000 1.023 336 Q CA -0.837 54.999 55.803 0.056 0.000 0.829 336 Q CB 1.320 30.067 28.738 0.016 0.000 1.306 336 Q HN 0.349 nan 8.270 nan 0.000 0.449 337 W N 1.395 122.803 121.300 0.181 0.000 3.042 337 W HA 0.315 4.975 4.660 -0.000 0.000 0.337 337 W C -0.274 176.358 176.519 0.190 0.000 1.086 337 W CA -0.623 56.822 57.345 0.166 0.000 1.236 337 W CB 1.455 31.015 29.460 0.167 0.000 1.381 337 W HN 0.474 nan 8.180 nan 0.000 0.472 338 T N -0.202 114.547 114.554 0.325 0.000 2.927 338 T HA 0.828 5.178 4.350 -0.000 0.000 0.281 338 T C -0.963 173.861 174.700 0.206 0.000 0.998 338 T CA -0.533 61.685 62.100 0.197 0.000 1.019 338 T CB 1.642 70.580 68.868 0.116 0.000 1.061 338 T HN 0.528 nan 8.240 nan 0.000 0.518 339 Y N -1.385 118.896 120.300 -0.033 0.000 2.558 339 Y HA 0.696 5.246 4.550 -0.000 0.000 0.333 339 Y C -1.670 174.119 175.900 -0.184 0.000 1.125 339 Y CA -1.439 56.587 58.100 -0.123 0.000 1.039 339 Y CB 1.244 39.692 38.460 -0.020 0.000 1.331 339 Y HN 0.584 nan 8.280 nan 0.000 0.456 340 Q N 3.244 123.011 119.800 -0.056 0.000 2.394 340 Q HA 0.680 5.020 4.340 -0.000 0.000 0.273 340 Q C -1.301 174.603 176.000 -0.159 0.000 1.089 340 Q CA -0.720 55.018 55.803 -0.108 0.000 0.812 340 Q CB 3.158 31.727 28.738 -0.280 0.000 1.353 340 Q HN 0.786 nan 8.270 nan 0.000 0.438 341 I N 3.224 123.744 120.570 -0.084 0.000 2.555 341 I HA 0.282 4.452 4.170 -0.000 0.000 0.275 341 I C -1.077 174.938 176.117 -0.169 0.000 1.082 341 I CA -0.885 60.281 61.300 -0.223 0.000 1.167 341 I CB -0.003 37.945 38.000 -0.087 0.000 1.312 341 I HN 0.593 nan 8.210 nan 0.000 0.493 342 Y N 3.017 123.252 120.300 -0.109 0.000 2.496 342 Y HA 0.569 5.119 4.550 -0.000 0.000 0.325 342 Y C 0.691 176.508 175.900 -0.137 0.000 1.271 342 Y CA -1.327 56.721 58.100 -0.087 0.000 1.368 342 Y CB 0.502 38.929 38.460 -0.054 0.000 1.415 342 Y HN 0.310 nan 8.280 nan 0.000 0.527 343 Q N -1.112 118.837 119.800 0.248 0.000 2.210 343 Q HA 0.290 4.630 4.340 -0.000 0.000 0.252 343 Q C -0.951 175.068 176.000 0.031 0.000 0.811 343 Q CA 0.166 56.022 55.803 0.089 0.000 0.953 343 Q CB 1.230 29.952 28.738 -0.026 0.000 1.136 343 Q HN 0.721 nan 8.270 nan 0.000 0.491 344 E N 1.061 121.239 120.200 -0.038 0.000 2.381 344 E HA 0.203 4.553 4.350 -0.000 0.000 0.286 344 E C -2.817 173.636 176.600 -0.245 0.000 0.960 344 E CA -1.804 54.515 56.400 -0.136 0.000 0.793 344 E CB 2.166 31.836 29.700 -0.049 0.000 1.225 344 E HN -0.067 nan 8.360 nan 0.000 0.420 345 P HA -0.149 nan 4.420 nan 0.000 0.258 345 P C -0.099 177.309 177.300 0.180 0.000 1.136 345 P CA 0.803 63.773 63.100 -0.216 0.000 0.761 345 P CB -0.177 31.617 31.700 0.157 0.000 0.724 346 F N 0.385 120.257 119.950 -0.129 0.000 2.973 346 F HA -0.214 4.313 4.527 -0.000 0.000 0.299 346 F C 0.860 176.639 175.800 -0.035 0.000 0.737 346 F CA 1.043 59.018 58.000 -0.042 0.000 1.151 346 F CB -1.972 36.934 39.000 -0.158 0.000 1.440 346 F HN 0.353 nan 8.300 nan 0.000 0.367 347 K N 1.311 121.790 120.400 0.132 0.000 2.901 347 K HA 0.321 4.641 4.320 -0.000 0.000 0.199 347 K C -0.242 176.452 176.600 0.157 0.000 1.140 347 K CA -0.324 56.030 56.287 0.112 0.000 1.030 347 K CB 0.048 32.600 32.500 0.087 0.000 1.437 347 K HN 0.282 nan 8.250 nan 0.000 0.552 348 N N 1.158 119.974 118.700 0.192 0.000 2.492 348 N HA 0.079 4.819 4.740 -0.000 0.000 0.260 348 N C 0.960 176.582 175.510 0.186 0.000 1.215 348 N CA -0.112 53.074 53.050 0.226 0.000 0.923 348 N CB 0.847 39.505 38.487 0.286 0.000 1.092 348 N HN 0.177 nan 8.380 nan 0.000 0.448 349 L N -0.136 121.210 121.223 0.204 0.000 2.640 349 L HA 0.323 4.663 4.340 -0.000 0.000 0.230 349 L C 0.363 177.427 176.870 0.324 0.000 1.123 349 L CA 0.091 55.103 54.840 0.286 0.000 0.900 349 L CB -0.363 41.940 42.059 0.407 0.000 1.146 349 L HN 0.642 nan 8.230 nan 0.000 0.484 350 K N 0.855 121.408 120.400 0.255 0.000 2.688 350 K HA 0.246 4.566 4.320 -0.000 0.000 0.270 350 K C -1.139 175.540 176.600 0.132 0.000 1.013 350 K CA -0.234 56.178 56.287 0.208 0.000 0.924 350 K CB 1.434 34.101 32.500 0.277 0.000 1.378 350 K HN -0.017 nan 8.250 nan 0.000 0.402 351 T N 0.377 114.956 114.554 0.041 0.000 2.916 351 T HA 0.862 5.212 4.350 -0.000 0.000 0.298 351 T C -0.162 174.366 174.700 -0.286 0.000 1.031 351 T CA -0.130 61.907 62.100 -0.105 0.000 0.993 351 T CB 1.756 70.726 68.868 0.170 0.000 1.045 351 T HN 0.726 nan 8.240 nan 0.000 0.454 352 G N 1.275 109.594 108.800 -0.802 0.000 2.911 352 G HA2 0.798 4.758 3.960 -0.000 0.000 0.299 352 G HA3 0.798 4.758 3.960 -0.000 0.000 0.299 352 G C -1.767 172.810 174.900 -0.539 0.000 1.283 352 G CA -1.104 43.642 45.100 -0.591 0.000 0.805 352 G HN 0.972 nan 8.290 nan 0.000 0.548 353 K N -0.806 119.528 120.400 -0.110 0.000 2.571 353 K HA 0.414 4.734 4.320 -0.000 0.000 0.252 353 K C -2.277 174.513 176.600 0.317 0.000 0.956 353 K CA -0.811 55.573 56.287 0.161 0.000 0.822 353 K CB 2.182 34.766 32.500 0.140 0.000 1.286 353 K HN 0.568 nan 8.250 nan 0.000 0.439 354 Y N 2.541 123.033 120.300 0.319 0.000 2.354 354 Y HA 0.624 5.174 4.550 -0.000 0.000 0.322 354 Y C -0.960 175.104 175.900 0.273 0.000 1.253 354 Y CA 0.401 58.649 58.100 0.247 0.000 1.272 354 Y CB 1.777 40.335 38.460 0.164 0.000 1.255 354 Y HN 0.875 nan 8.280 nan 0.000 0.500 355 A N 5.660 128.282 122.820 -0.330 0.000 2.401 355 A HA 0.337 4.657 4.320 -0.000 0.000 0.313 355 A C -0.428 176.912 177.584 -0.406 0.000 1.013 355 A CA -0.551 51.418 52.037 -0.113 0.000 1.034 355 A CB 0.325 19.350 19.000 0.042 0.000 1.324 355 A HN 0.929 nan 8.150 nan 0.000 0.366 356 R N 1.922 122.201 120.500 -0.369 0.000 2.435 356 R HA 0.593 4.932 4.340 -0.000 0.000 0.221 356 R C 0.165 176.422 176.300 -0.072 0.000 0.885 356 R CA 0.815 56.754 56.100 -0.268 0.000 1.018 356 R CB 0.472 30.587 30.300 -0.307 0.000 1.259 356 R HN 0.833 nan 8.270 nan 0.000 0.597 357 M N -1.160 118.442 119.600 0.003 0.000 2.447 357 M HA 0.190 4.670 4.480 -0.000 0.000 0.292 357 M C -0.820 175.510 176.300 0.050 0.000 1.083 357 M CA -0.065 55.246 55.300 0.019 0.000 0.907 357 M CB 1.476 34.083 32.600 0.012 0.000 1.829 357 M HN 0.009 nan 8.290 nan 0.000 0.518 358 R N 2.000 122.517 120.500 0.029 0.000 2.191 358 R HA 0.473 4.813 4.340 -0.000 0.000 0.196 358 R C 1.196 177.503 176.300 0.012 0.000 0.991 358 R CA 1.371 57.487 56.100 0.027 0.000 1.075 358 R CB -0.660 29.645 30.300 0.009 0.000 1.040 358 R HN 0.938 nan 8.270 nan 0.000 0.526 359 G N -0.294 108.508 108.800 0.003 0.000 2.559 359 G HA2 0.312 4.272 3.960 -0.000 0.000 0.209 359 G HA3 0.312 4.272 3.960 -0.000 0.000 0.209 359 G C 1.788 176.685 174.900 -0.004 0.000 1.151 359 G CA 1.069 46.167 45.100 -0.003 0.000 0.824 359 G HN 0.716 nan 8.290 nan 0.000 0.543 360 A N 0.245 123.063 122.820 -0.003 0.000 1.832 360 A HA 0.240 4.560 4.320 -0.000 0.000 0.214 360 A C 2.307 179.886 177.584 -0.008 0.000 1.242 360 A CA 2.195 54.229 52.037 -0.006 0.000 0.603 360 A CB -1.166 17.831 19.000 -0.005 0.000 0.902 360 A HN 0.683 nan 8.150 nan 0.000 0.455 361 H N -1.183 117.882 119.070 -0.008 0.000 2.544 361 H HA 0.480 5.035 4.556 -0.000 0.000 0.269 361 H C 1.372 176.684 175.328 -0.027 0.000 0.970 361 H CA 1.314 57.352 56.048 -0.017 0.000 1.219 361 H CB -1.588 28.164 29.762 -0.017 0.000 1.421 361 H HN 0.838 nan 8.280 nan 0.000 0.555 362 T N 1.554 116.105 114.554 -0.005 0.000 2.609 362 T HA 0.195 4.545 4.350 -0.000 0.000 0.257 362 T C 0.290 174.988 174.700 -0.004 0.000 1.032 362 T CA 0.679 62.788 62.100 0.016 0.000 1.244 362 T CB -0.754 68.137 68.868 0.038 0.000 1.003 362 T HN 0.725 nan 8.240 nan 0.000 0.507 363 N N 3.121 121.805 118.700 -0.028 0.000 2.448 363 N HA 0.244 4.984 4.740 -0.000 0.000 0.279 363 N C 0.556 176.073 175.510 0.011 0.000 1.025 363 N CA -0.897 52.120 53.050 -0.056 0.000 0.898 363 N CB 1.481 39.874 38.487 -0.157 0.000 1.303 363 N HN 0.409 nan 8.380 nan 0.000 0.495 364 D N 2.126 122.578 120.400 0.088 0.000 2.200 364 D HA -0.183 4.457 4.640 -0.000 0.000 0.192 364 D C 1.399 177.815 176.300 0.193 0.000 1.008 364 D CA 1.337 55.485 54.000 0.246 0.000 0.872 364 D CB 0.445 41.357 40.800 0.186 0.000 0.923 364 D HN 0.354 nan 8.370 nan 0.000 0.447 365 V N 0.578 120.516 119.914 0.040 0.000 2.251 365 V HA -0.188 3.932 4.120 -0.000 0.000 0.237 365 V C 2.480 178.496 176.094 -0.130 0.000 1.040 365 V CA 1.645 63.957 62.300 0.020 0.000 1.005 365 V CB -0.479 31.361 31.823 0.028 0.000 0.645 365 V HN 0.133 nan 8.190 nan 0.000 0.458 366 K N -0.564 119.599 120.400 -0.395 0.000 2.259 366 K HA -0.346 3.974 4.320 -0.000 0.000 0.206 366 K C 2.064 178.397 176.600 -0.445 0.000 1.044 366 K CA 2.216 57.974 56.287 -0.881 0.000 0.931 366 K CB -0.097 31.568 32.500 -1.392 0.000 0.726 366 K HN 0.498 nan 8.250 nan 0.000 0.467 367 Q N 0.137 119.768 119.800 -0.281 0.000 1.946 367 Q HA -0.125 4.215 4.340 -0.000 0.000 0.199 367 Q C 2.021 177.582 176.000 -0.732 0.000 0.979 367 Q CA 1.560 57.178 55.803 -0.308 0.000 0.834 367 Q CB -0.285 28.473 28.738 0.033 0.000 0.899 367 Q HN 0.301 nan 8.270 nan 0.000 0.431 368 L N 0.456 121.177 121.223 -0.836 0.000 2.034 368 L HA -0.278 4.062 4.340 -0.000 0.000 0.217 368 L C 2.412 179.058 176.870 -0.373 0.000 1.077 368 L CA 2.759 57.097 54.840 -0.837 0.000 0.769 368 L CB -1.363 40.396 42.059 -0.499 0.000 0.890 368 L HN 0.490 nan 8.230 nan 0.000 0.435 369 T N -1.889 112.650 114.554 -0.026 0.000 2.746 369 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 369 T C 1.711 176.351 174.700 -0.100 0.000 1.039 369 T CA 1.802 64.033 62.100 0.218 0.000 1.142 369 T CB -0.372 68.628 68.868 0.220 0.000 0.866 369 T HN 0.637 nan 8.240 nan 0.000 0.444 370 E N 0.892 120.915 120.200 -0.295 0.000 2.047 370 E HA 0.022 4.372 4.350 -0.000 0.000 0.191 370 E C 2.733 179.006 176.600 -0.545 0.000 0.987 370 E CA 0.942 57.132 56.400 -0.351 0.000 0.799 370 E CB -0.413 29.135 29.700 -0.254 0.000 0.752 370 E HN 0.664 nan 8.360 nan 0.000 0.449 371 A N 1.278 123.510 122.820 -0.980 0.000 1.917 371 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 371 A C 2.528 179.790 177.584 -0.537 0.000 1.182 371 A CA 1.407 52.879 52.037 -0.941 0.000 0.633 371 A CB -0.835 17.544 19.000 -1.036 0.000 0.819 371 A HN 0.134 nan 8.150 nan 0.000 0.448 372 V N -0.483 119.116 119.914 -0.525 0.000 2.295 372 V HA -0.318 3.802 4.120 -0.000 0.000 0.246 372 V C 2.657 178.555 176.094 -0.326 0.000 1.049 372 V CA 2.436 64.341 62.300 -0.658 0.000 1.024 372 V CB -0.745 30.736 31.823 -0.570 0.000 0.648 372 V HN 0.684 nan 8.190 nan 0.000 0.447 373 Q N -0.614 119.061 119.800 -0.209 0.000 2.226 373 Q HA -0.223 4.116 4.340 -0.000 0.000 0.204 373 Q C 2.274 178.339 176.000 0.108 0.000 0.975 373 Q CA 1.640 57.433 55.803 -0.017 0.000 0.866 373 Q CB -0.160 28.367 28.738 -0.351 0.000 0.915 373 Q HN 0.569 nan 8.270 nan 0.000 0.440 374 K N 0.938 121.326 120.400 -0.019 0.000 1.980 374 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 374 K C 1.933 178.518 176.600 -0.026 0.000 1.043 374 K CA 1.140 57.448 56.287 0.035 0.000 0.938 374 K CB -0.139 32.397 32.500 0.061 0.000 0.724 374 K HN 0.132 nan 8.250 nan 0.000 0.438 375 I N 1.459 121.933 120.570 -0.160 0.000 2.236 375 I HA -0.340 3.830 4.170 -0.000 0.000 0.249 375 I C 2.154 178.292 176.117 0.035 0.000 1.102 375 I CA 1.484 62.655 61.300 -0.216 0.000 1.365 375 I CB -0.767 37.072 38.000 -0.267 0.000 1.051 375 I HN 0.361 nan 8.210 nan 0.000 0.420 376 T N 0.222 114.889 114.554 0.188 0.000 2.472 376 T HA -0.202 4.148 4.350 -0.000 0.000 0.249 376 T C 1.880 176.539 174.700 -0.068 0.000 1.205 376 T CA 2.314 64.442 62.100 0.047 0.000 1.268 376 T CB -0.626 68.165 68.868 -0.128 0.000 0.872 376 T HN 0.322 nan 8.240 nan 0.000 0.393 377 T N 1.979 116.538 114.554 0.009 0.000 2.731 377 T HA -0.285 4.065 4.350 -0.000 0.000 0.259 377 T C 1.837 176.592 174.700 0.091 0.000 1.054 377 T CA 2.168 64.343 62.100 0.125 0.000 1.158 377 T CB -0.676 68.394 68.868 0.338 0.000 0.847 377 T HN 0.496 nan 8.240 nan 0.000 0.470 378 E N 0.446 120.656 120.200 0.017 0.000 2.049 378 E HA -0.180 4.170 4.350 -0.000 0.000 0.198 378 E C 2.675 179.273 176.600 -0.003 0.000 1.007 378 E CA 1.758 58.116 56.400 -0.071 0.000 0.809 378 E CB -0.235 29.282 29.700 -0.305 0.000 0.749 378 E HN 0.714 nan 8.360 nan 0.000 0.450 379 S N 1.034 116.766 115.700 0.054 0.000 2.368 379 S HA -0.130 4.340 4.470 -0.000 0.000 0.225 379 S C 2.098 176.748 174.600 0.084 0.000 1.030 379 S CA 0.784 59.124 58.200 0.234 0.000 0.999 379 S CB -0.543 62.806 63.200 0.248 0.000 0.844 379 S HN 0.197 nan 8.310 nan 0.000 0.459 380 I N 1.323 121.842 120.570 -0.086 0.000 2.399 380 I HA -0.137 4.033 4.170 -0.000 0.000 0.254 380 I C 2.200 178.296 176.117 -0.036 0.000 1.146 380 I CA 1.022 62.203 61.300 -0.198 0.000 1.412 380 I CB -0.406 37.259 38.000 -0.559 0.000 1.076 380 I HN 0.278 nan 8.210 nan 0.000 0.432 381 V N 0.726 120.655 119.914 0.026 0.000 2.341 381 V HA -0.145 3.975 4.120 -0.000 0.000 0.240 381 V C 2.223 178.380 176.094 0.105 0.000 1.035 381 V CA 1.158 63.540 62.300 0.136 0.000 1.033 381 V CB -0.108 31.858 31.823 0.238 0.000 0.678 381 V HN 0.214 nan 8.190 nan 0.000 0.464 382 I N -0.947 119.555 120.570 -0.113 0.000 2.163 382 I HA -0.266 3.904 4.170 -0.000 0.000 0.243 382 I C 2.021 177.725 176.117 -0.689 0.000 1.085 382 I CA 1.987 62.978 61.300 -0.515 0.000 1.347 382 I CB -0.228 37.109 38.000 -1.106 0.000 1.044 382 I HN 0.441 nan 8.210 nan 0.000 0.408 383 W N -0.012 121.128 121.300 -0.267 0.000 2.714 383 W HA 0.365 5.024 4.660 -0.000 0.000 0.353 383 W C 1.176 177.145 176.519 -0.916 0.000 0.999 383 W CA 0.439 57.415 57.345 -0.615 0.000 1.629 383 W CB -0.144 28.944 29.460 -0.619 0.000 1.106 383 W HN 0.249 nan 8.180 nan 0.000 0.545 384 G N 3.371 111.872 108.800 -0.499 0.000 2.338 384 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.296 384 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.296 384 G C -0.040 174.946 174.900 0.143 0.000 1.040 384 G CA 1.067 46.086 45.100 -0.134 0.000 1.004 384 G HN 0.405 nan 8.290 nan 0.000 0.509 385 K N -1.782 118.702 120.400 0.140 0.000 2.609 385 K HA 0.540 4.860 4.320 -0.000 0.000 0.261 385 K C -0.261 176.343 176.600 0.008 0.000 0.945 385 K CA -0.374 56.014 56.287 0.169 0.000 0.898 385 K CB 0.245 32.807 32.500 0.103 0.000 1.349 385 K HN 0.798 nan 8.250 nan 0.000 0.420 386 T N 1.282 115.803 114.554 -0.055 0.000 2.918 386 T HA 0.453 4.803 4.350 -0.000 0.000 0.302 386 T C -1.554 173.052 174.700 -0.156 0.000 1.045 386 T CA -0.730 61.268 62.100 -0.170 0.000 1.114 386 T CB 0.483 69.227 68.868 -0.208 0.000 0.965 386 T HN 0.559 nan 8.240 nan 0.000 0.540 387 P HA 0.374 nan 4.420 nan 0.000 0.302 387 P C -0.947 176.126 177.300 -0.379 0.000 1.307 387 P CA -0.773 62.082 63.100 -0.407 0.000 0.754 387 P CB 0.749 32.044 31.700 -0.674 0.000 1.298 388 K N 0.653 120.794 120.400 -0.432 0.000 2.521 388 K HA 0.334 4.654 4.320 -0.000 0.000 0.248 388 K C -0.971 175.427 176.600 -0.336 0.000 0.978 388 K CA -0.647 55.480 56.287 -0.266 0.000 0.947 388 K CB -0.007 32.382 32.500 -0.185 0.000 1.165 388 K HN 0.286 nan 8.250 nan 0.000 0.445 389 F N 2.475 122.331 119.950 -0.156 0.000 2.443 389 F HA 0.203 4.730 4.527 -0.000 0.000 0.353 389 F C 1.172 176.828 175.800 -0.240 0.000 1.101 389 F CA -0.033 57.847 58.000 -0.201 0.000 1.226 389 F CB 0.752 39.634 39.000 -0.196 0.000 1.140 389 F HN 0.105 nan 8.300 nan 0.000 0.557 390 K N 5.237 125.601 120.400 -0.060 0.000 2.291 390 K HA 0.321 4.641 4.320 -0.000 0.000 0.242 390 K C -0.848 175.686 176.600 -0.110 0.000 1.098 390 K CA -0.260 55.961 56.287 -0.109 0.000 1.036 390 K CB 0.369 32.820 32.500 -0.082 0.000 1.655 390 K HN 0.517 nan 8.250 nan 0.000 0.432 391 L N 4.648 125.734 121.223 -0.227 0.000 2.477 391 L HA 0.112 4.452 4.340 -0.000 0.000 0.272 391 L C -1.587 175.260 176.870 -0.039 0.000 1.157 391 L CA -1.525 53.171 54.840 -0.240 0.000 0.889 391 L CB 0.005 41.720 42.059 -0.574 0.000 1.158 391 L HN 0.247 nan 8.230 nan 0.000 0.473 392 P HA 0.217 nan 4.420 nan 0.000 0.230 392 P C -0.501 176.885 177.300 0.145 0.000 1.791 392 P CA 0.357 63.519 63.100 0.104 0.000 1.020 392 P CB 0.461 32.241 31.700 0.133 0.000 1.977 393 I N -0.274 120.396 120.570 0.167 0.000 2.913 393 I HA 0.244 4.414 4.170 -0.000 0.000 0.302 393 I C -0.757 175.420 176.117 0.100 0.000 1.246 393 I CA -1.285 60.116 61.300 0.168 0.000 1.010 393 I CB 3.268 41.396 38.000 0.214 0.000 1.259 393 I HN -0.065 nan 8.210 nan 0.000 0.434 394 Q N 5.744 125.557 119.800 0.021 0.000 2.297 394 Q HA 0.051 4.391 4.340 -0.000 0.000 0.267 394 Q C 0.891 176.668 176.000 -0.371 0.000 1.006 394 Q CA 0.197 55.944 55.803 -0.095 0.000 0.896 394 Q CB 1.295 30.019 28.738 -0.023 0.000 1.186 394 Q HN 0.672 nan 8.270 nan 0.000 0.392 395 K N 3.603 123.584 120.400 -0.698 0.000 2.032 395 K HA -0.317 4.003 4.320 -0.000 0.000 0.218 395 K C 1.068 177.346 176.600 -0.537 0.000 1.054 395 K CA 2.437 58.008 56.287 -1.194 0.000 0.941 395 K CB 0.120 32.250 32.500 -0.616 0.000 0.720 395 K HN 0.681 nan 8.250 nan 0.000 0.449 396 E N 0.031 120.088 120.200 -0.238 0.000 2.085 396 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 396 E C 2.026 178.580 176.600 -0.077 0.000 0.994 396 E CA 2.026 58.362 56.400 -0.107 0.000 0.801 396 E CB -0.486 29.194 29.700 -0.034 0.000 0.743 396 E HN 0.427 nan 8.360 nan 0.000 0.453 397 T N 0.608 115.150 114.554 -0.021 0.000 2.569 397 T HA -0.214 4.135 4.350 -0.000 0.000 0.263 397 T C 1.378 176.163 174.700 0.142 0.000 1.074 397 T CA 1.352 63.529 62.100 0.128 0.000 1.176 397 T CB -0.707 68.263 68.868 0.171 0.000 0.863 397 T HN 0.415 nan 8.240 nan 0.000 0.410 398 W N 2.411 123.659 121.300 -0.085 0.000 2.308 398 W HA -0.180 4.480 4.660 -0.000 0.000 0.301 398 W C 1.784 178.285 176.519 -0.030 0.000 1.220 398 W CA 1.599 58.902 57.345 -0.069 0.000 1.240 398 W CB -0.323 29.029 29.460 -0.180 0.000 1.142 398 W HN 0.480 nan 8.180 nan 0.000 0.521 399 E N -0.736 119.428 120.200 -0.059 0.000 2.204 399 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 399 E C 2.031 178.534 176.600 -0.162 0.000 0.990 399 E CA 1.806 58.145 56.400 -0.101 0.000 0.821 399 E CB -0.174 29.394 29.700 -0.220 0.000 0.750 399 E HN 0.197 nan 8.360 nan 0.000 0.477 400 T N -0.586 113.797 114.554 -0.286 0.000 2.894 400 T HA -0.077 4.273 4.350 -0.000 0.000 0.258 400 T C 1.028 175.220 174.700 -0.846 0.000 1.043 400 T CA 0.849 62.585 62.100 -0.607 0.000 1.141 400 T CB -0.119 68.250 68.868 -0.830 0.000 0.873 400 T HN 0.341 nan 8.240 nan 0.000 0.449 401 W N 0.787 121.907 121.300 -0.299 0.000 3.013 401 W HA 0.262 4.922 4.660 -0.000 0.000 0.280 401 W C 2.034 178.219 176.519 -0.557 0.000 1.249 401 W CA -1.203 55.919 57.345 -0.372 0.000 1.577 401 W CB -0.264 29.083 29.460 -0.188 0.000 1.057 401 W HN 0.290 nan 8.180 nan 0.000 0.613 402 W N 0.688 121.521 121.300 -0.778 0.000 2.302 402 W HA -0.281 4.379 4.660 -0.000 0.000 0.320 402 W C 1.741 178.006 176.519 -0.422 0.000 1.241 402 W CA 2.107 58.868 57.345 -0.973 0.000 1.264 402 W CB -2.065 26.373 29.460 -1.704 0.000 1.154 402 W HN -0.091 nan 8.180 nan 0.000 0.483 403 T N 1.239 114.793 114.554 -1.666 0.000 2.946 403 T HA -0.299 4.051 4.350 -0.000 0.000 0.270 403 T C 1.612 175.968 174.700 -0.573 0.000 1.129 403 T CA 2.309 63.621 62.100 -1.314 0.000 1.103 403 T CB -0.356 67.704 68.868 -1.346 0.000 0.839 403 T HN 0.282 nan 8.240 nan 0.000 0.544 404 E N -0.413 119.467 120.200 -0.533 0.000 2.152 404 E HA -0.008 4.342 4.350 -0.000 0.000 0.192 404 E C 0.640 176.815 176.600 -0.708 0.000 0.983 404 E CA 1.145 57.171 56.400 -0.624 0.000 0.818 404 E CB -0.069 29.137 29.700 -0.822 0.000 0.758 404 E HN 0.852 nan 8.360 nan 0.000 0.467 405 Y N -1.916 118.359 120.300 -0.042 0.000 2.641 405 Y HA 0.229 4.779 4.550 -0.000 0.000 0.248 405 Y C -0.161 175.725 175.900 -0.023 0.000 1.170 405 Y CA -0.894 57.184 58.100 -0.037 0.000 1.201 405 Y CB 0.032 38.462 38.460 -0.049 0.000 1.232 405 Y HN 0.032 nan 8.280 nan 0.000 0.537 406 W N 4.090 125.353 121.300 -0.062 0.000 2.485 406 W HA 0.125 4.785 4.660 -0.000 0.000 0.315 406 W C 0.103 176.574 176.519 -0.080 0.000 1.304 406 W CA 0.622 57.948 57.345 -0.033 0.000 1.345 406 W CB 0.810 30.271 29.460 0.001 0.000 1.368 406 W HN 0.386 nan 8.180 nan 0.000 0.497 407 Q N 3.688 123.257 119.800 -0.386 0.000 2.350 407 Q HA 0.137 4.477 4.340 -0.000 0.000 0.225 407 Q C 0.925 176.683 176.000 -0.403 0.000 0.878 407 Q CA -0.039 55.597 55.803 -0.278 0.000 0.935 407 Q CB 0.886 29.495 28.738 -0.214 0.000 1.099 407 Q HN 0.433 nan 8.270 nan 0.000 0.527 408 A N 0.998 123.347 122.820 -0.786 0.000 2.366 408 A HA 0.156 4.476 4.320 -0.000 0.000 0.249 408 A C 1.258 178.570 177.584 -0.453 0.000 1.084 408 A CA 0.201 51.695 52.037 -0.904 0.000 0.794 408 A CB 0.365 18.265 19.000 -1.834 0.000 1.034 408 A HN 0.306 nan 8.150 nan 0.000 0.491 409 T N -1.126 113.153 114.554 -0.458 0.000 3.014 409 T HA 0.035 4.385 4.350 -0.000 0.000 0.263 409 T C 0.722 175.512 174.700 0.150 0.000 1.078 409 T CA 0.578 62.637 62.100 -0.068 0.000 1.135 409 T CB -0.322 68.543 68.868 -0.005 0.000 0.895 409 T HN 0.714 nan 8.240 nan 0.000 0.480 410 W N 0.974 122.493 121.300 0.366 0.000 2.260 410 W HA 0.731 5.391 4.660 -0.000 0.000 0.366 410 W C -0.716 176.123 176.519 0.533 0.000 1.315 410 W CA -1.500 56.078 57.345 0.388 0.000 1.458 410 W CB 0.497 30.143 29.460 0.310 0.000 1.255 410 W HN -0.067 nan 8.180 nan 0.000 0.671 411 I N 2.806 123.864 120.570 0.814 0.000 2.534 411 I HA 0.151 4.321 4.170 -0.000 0.000 0.286 411 I C -1.809 174.489 176.117 0.303 0.000 1.094 411 I CA -2.118 59.485 61.300 0.505 0.000 1.055 411 I CB 2.072 40.078 38.000 0.010 0.000 1.225 411 I HN -0.018 nan 8.210 nan 0.000 0.435 412 P HA 0.109 nan 4.420 nan 0.000 0.300 412 P C -0.806 176.365 177.300 -0.214 0.000 1.294 412 P CA -0.001 63.206 63.100 0.179 0.000 0.757 412 P CB 0.797 32.782 31.700 0.474 0.000 1.377 413 E N -0.733 119.365 120.200 -0.170 0.000 2.185 413 E HA 0.266 4.616 4.350 -0.000 0.000 0.261 413 E C -0.801 175.656 176.600 -0.238 0.000 0.879 413 E CA -0.259 55.913 56.400 -0.380 0.000 0.756 413 E CB 0.883 30.454 29.700 -0.214 0.000 1.152 413 E HN 0.437 nan 8.360 nan 0.000 0.416 414 W N 2.158 123.331 121.300 -0.211 0.000 2.804 414 W HA 0.683 5.343 4.660 -0.000 0.000 0.352 414 W C -0.375 175.824 176.519 -0.532 0.000 1.153 414 W CA -1.148 55.968 57.345 -0.382 0.000 1.119 414 W CB 0.435 29.527 29.460 -0.613 0.000 1.448 414 W HN 0.394 nan 8.180 nan 0.000 0.600 415 E N -0.125 119.832 120.200 -0.404 0.000 2.380 415 E HA 0.524 4.874 4.350 -0.000 0.000 0.281 415 E C -2.003 174.150 176.600 -0.745 0.000 0.999 415 E CA -0.904 55.179 56.400 -0.528 0.000 0.800 415 E CB 1.474 31.065 29.700 -0.181 0.000 1.228 415 E HN 0.270 nan 8.360 nan 0.000 0.436 416 F N 1.346 121.302 119.950 0.011 0.000 2.421 416 F HA 0.478 5.005 4.527 -0.000 0.000 0.337 416 F C 0.688 176.490 175.800 0.003 0.000 1.105 416 F CA -0.850 57.133 58.000 -0.027 0.000 1.049 416 F CB 1.600 40.587 39.000 -0.021 0.000 1.139 416 F HN 0.478 nan 8.300 nan 0.000 0.479 417 V N 0.506 120.505 119.914 0.142 0.000 3.369 417 V HA 0.449 4.569 4.120 -0.000 0.000 0.309 417 V C 0.588 176.744 176.094 0.104 0.000 1.069 417 V CA -0.479 61.880 62.300 0.098 0.000 1.042 417 V CB 1.336 33.194 31.823 0.059 0.000 1.192 417 V HN 0.810 nan 8.190 nan 0.000 0.447 418 N N -0.066 118.682 118.700 0.079 0.000 2.333 418 N HA 0.083 4.823 4.740 -0.000 0.000 0.183 418 N C 0.576 176.122 175.510 0.061 0.000 1.030 418 N CA 1.287 54.379 53.050 0.070 0.000 0.867 418 N CB 0.177 38.702 38.487 0.063 0.000 1.027 418 N HN 1.008 nan 8.380 nan 0.000 0.435 419 T N 1.354 115.941 114.554 0.055 0.000 4.124 419 T HA 0.128 4.478 4.350 -0.000 0.000 0.292 419 T C -3.306 171.417 174.700 0.038 0.000 0.676 419 T CA -0.959 61.168 62.100 0.045 0.000 0.903 419 T CB 0.575 69.466 68.868 0.038 0.000 1.257 419 T HN 0.076 nan 8.240 nan 0.000 0.466 420 P HA 0.245 nan 4.420 nan 0.000 0.264 420 P C -2.091 175.215 177.300 0.011 0.000 1.229 420 P CA -0.854 62.260 63.100 0.023 0.000 0.780 420 P CB 1.015 32.722 31.700 0.012 0.000 0.808 421 P HA 0.015 nan 4.420 nan 0.000 0.209 421 P C 1.333 178.611 177.300 -0.037 0.000 1.185 421 P CA 0.350 63.447 63.100 -0.004 0.000 0.902 421 P CB 0.236 31.944 31.700 0.014 0.000 0.750 422 L N -0.220 120.956 121.223 -0.077 0.000 2.446 422 L HA 0.075 4.415 4.340 -0.000 0.000 0.219 422 L C 1.883 178.579 176.870 -0.290 0.000 1.116 422 L CA 0.819 55.556 54.840 -0.172 0.000 0.844 422 L CB -0.474 41.448 42.059 -0.228 0.000 0.970 422 L HN -0.282 nan 8.230 nan 0.000 0.457 423 V N -0.429 119.357 119.914 -0.214 0.000 3.541 423 V HA -0.132 3.988 4.120 -0.000 0.000 0.272 423 V C 2.148 178.259 176.094 0.028 0.000 1.215 423 V CA 0.903 63.123 62.300 -0.135 0.000 1.176 423 V CB -1.164 30.680 31.823 0.034 0.000 0.854 423 V HN 0.425 nan 8.190 nan 0.000 0.496 424 K N 0.707 121.110 120.400 0.005 0.000 2.361 424 K HA 0.125 4.445 4.320 -0.000 0.000 0.196 424 K C 1.087 177.792 176.600 0.175 0.000 1.039 424 K CA 0.399 56.724 56.287 0.063 0.000 1.001 424 K CB 0.175 32.680 32.500 0.008 0.000 0.795 424 K HN 0.485 nan 8.250 nan 0.000 0.495 425 L N 1.319 122.636 121.223 0.157 0.000 2.928 425 L HA 0.136 4.476 4.340 -0.000 0.000 0.236 425 L C 0.450 177.430 176.870 0.184 0.000 1.290 425 L CA -0.405 54.613 54.840 0.296 0.000 1.099 425 L CB -0.174 41.977 42.059 0.153 0.000 1.437 425 L HN 0.274 nan 8.230 nan 0.000 0.493 426 W N 1.465 122.787 121.300 0.037 0.000 3.067 426 W HA 0.141 4.801 4.660 -0.000 0.000 0.417 426 W C 0.136 176.686 176.519 0.051 0.000 1.029 426 W CA -0.701 56.659 57.345 0.025 0.000 1.992 426 W CB 0.180 29.660 29.460 0.034 0.000 1.122 426 W HN 0.237 nan 8.180 nan 0.000 0.681 427 Y N 0.000 120.436 120.300 0.226 0.000 2.660 427 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 427 Y CA 0.000 58.192 58.100 0.154 0.000 1.940 427 Y CB 0.000 38.510 38.460 0.083 0.000 1.050 427 Y HN 0.000 nan 8.280 nan 0.000 0.758