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 2vg6_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNXXP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLC KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.349 177.300 0.082 0.000 1.155 1 P CA 0.000 63.133 63.100 0.056 0.000 0.800 1 P CB 0.000 31.729 31.700 0.048 0.000 0.726 2 I N 0.179 120.795 120.570 0.077 0.000 2.468 2 I HA 0.292 4.463 4.170 0.001 0.000 0.284 2 I C 0.208 176.387 176.117 0.103 0.000 1.038 2 I CA -0.686 60.676 61.300 0.103 0.000 1.083 2 I CB 1.916 39.973 38.000 0.095 0.000 1.223 2 I HN 0.386 nan 8.210 nan 0.000 0.443 3 S N 7.596 123.377 115.700 0.134 0.000 2.599 3 S HA 0.040 4.510 4.470 0.001 0.000 0.303 3 S C -1.229 173.467 174.600 0.160 0.000 1.267 3 S CA -0.478 57.824 58.200 0.169 0.000 1.055 3 S CB 0.577 63.895 63.200 0.197 0.000 0.790 3 S HN 0.503 nan 8.310 nan 0.000 0.500 4 P HA 0.126 nan 4.420 nan 0.000 0.249 4 P C 0.569 178.007 177.300 0.231 0.000 1.229 4 P CA -0.234 62.927 63.100 0.101 0.000 0.788 4 P CB -0.155 31.507 31.700 -0.064 0.000 1.072 5 I N 1.139 121.952 120.570 0.405 0.000 3.058 5 I HA -0.131 4.039 4.170 0.001 0.000 0.299 5 I C 1.058 177.304 176.117 0.216 0.000 1.238 5 I CA 0.118 61.655 61.300 0.397 0.000 1.423 5 I CB 0.212 38.322 38.000 0.182 0.000 1.330 5 I HN -0.077 nan 8.210 nan 0.000 0.589 6 E N 3.541 123.846 120.200 0.173 0.000 2.447 6 E HA 0.118 4.469 4.350 0.001 0.000 0.259 6 E C -0.414 176.248 176.600 0.102 0.000 1.196 6 E CA 0.261 56.733 56.400 0.119 0.000 0.995 6 E CB 0.458 30.215 29.700 0.095 0.000 0.974 6 E HN 0.690 nan 8.360 nan 0.000 0.465 7 T N -0.965 113.647 114.554 0.097 0.000 2.952 7 T HA 0.526 4.876 4.350 0.001 0.000 0.286 7 T C -0.481 174.277 174.700 0.096 0.000 1.024 7 T CA -1.030 61.131 62.100 0.102 0.000 1.029 7 T CB 1.273 70.208 68.868 0.111 0.000 1.094 7 T HN 0.205 nan 8.240 nan 0.000 0.515 8 V N 3.284 123.262 119.914 0.108 0.000 2.383 8 V HA 0.367 4.488 4.120 0.001 0.000 0.275 8 V C -2.232 173.935 176.094 0.121 0.000 1.036 8 V CA -2.039 60.329 62.300 0.113 0.000 0.889 8 V CB 0.938 32.840 31.823 0.132 0.000 0.985 8 V HN 0.814 nan 8.190 nan 0.000 0.459 9 P HA 0.124 nan 4.420 nan 0.000 0.263 9 P C -0.107 177.244 177.300 0.086 0.000 1.276 9 P CA 0.266 63.426 63.100 0.099 0.000 0.986 9 P CB 0.204 31.952 31.700 0.080 0.000 1.105 10 V N 3.932 123.878 119.914 0.054 0.000 3.264 10 V HA 0.333 4.453 4.120 0.001 0.000 0.304 10 V C 0.628 176.668 176.094 -0.089 0.000 1.086 10 V CA 0.165 62.415 62.300 -0.084 0.000 1.090 10 V CB 0.774 32.320 31.823 -0.461 0.000 1.112 10 V HN 0.470 nan 8.190 nan 0.000 0.472 11 K N 0.732 121.040 120.400 -0.152 0.000 2.610 11 K HA 0.508 4.828 4.320 0.001 0.000 0.278 11 K C -1.805 174.838 176.600 0.072 0.000 0.964 11 K CA -0.770 55.547 56.287 0.049 0.000 0.859 11 K CB 1.624 34.131 32.500 0.011 0.000 1.434 11 K HN 0.513 nan 8.250 nan 0.000 0.410 12 L N 2.098 123.383 121.223 0.104 0.000 2.448 12 L HA 0.460 4.801 4.340 0.001 0.000 0.258 12 L C 0.188 177.048 176.870 -0.016 0.000 1.104 12 L CA -0.923 53.933 54.840 0.026 0.000 0.800 12 L CB 0.953 42.950 42.059 -0.104 0.000 1.241 12 L HN 0.571 nan 8.230 nan 0.000 0.472 13 K N 1.014 121.400 120.400 -0.024 0.000 2.237 13 K HA 0.160 4.480 4.320 0.001 0.000 0.270 13 K C -1.708 174.882 176.600 -0.017 0.000 1.015 13 K CA -1.377 54.894 56.287 -0.027 0.000 0.949 13 K CB 0.375 32.861 32.500 -0.022 0.000 0.976 13 K HN 0.251 nan 8.250 nan 0.000 0.472 14 P HA -0.266 nan 4.420 nan 0.000 0.228 14 P C 0.938 178.240 177.300 0.003 0.000 0.821 14 P CA 1.451 64.549 63.100 -0.003 0.000 1.093 14 P CB -0.203 31.495 31.700 -0.004 0.000 0.688 15 G N -1.516 107.286 108.800 0.005 0.000 3.186 15 G HA2 0.105 4.065 3.960 0.001 0.000 0.214 15 G HA3 0.105 4.065 3.960 0.001 0.000 0.214 15 G C 0.424 175.331 174.900 0.012 0.000 1.222 15 G CA 0.224 45.330 45.100 0.011 0.000 0.921 15 G HN 0.200 nan 8.290 nan 0.000 0.504 16 M N 0.465 120.068 119.600 0.005 0.000 2.664 16 M HA 0.422 4.902 4.480 0.001 0.000 0.314 16 M C -0.883 175.411 176.300 -0.011 0.000 1.200 16 M CA -0.989 54.311 55.300 -0.000 0.000 0.916 16 M CB 2.291 34.885 32.600 -0.009 0.000 1.717 16 M HN 0.112 nan 8.290 nan 0.000 0.470 17 D N 0.123 120.517 120.400 -0.010 0.000 2.727 17 D HA 0.579 5.219 4.640 0.001 0.000 0.264 17 D C 0.084 176.319 176.300 -0.109 0.000 1.101 17 D CA -0.595 53.396 54.000 -0.016 0.000 1.122 17 D CB -0.251 40.608 40.800 0.098 0.000 1.390 17 D HN 0.655 nan 8.370 nan 0.000 0.606 18 G N -0.752 107.937 108.800 -0.187 0.000 2.744 18 G HA2 0.429 4.390 3.960 0.001 0.000 0.257 18 G HA3 0.429 4.390 3.960 0.001 0.000 0.257 18 G C -2.355 172.518 174.900 -0.044 0.000 1.244 18 G CA -0.630 44.246 45.100 -0.373 0.000 0.916 18 G HN 0.481 nan 8.290 nan 0.000 0.564 19 P HA 0.414 nan 4.420 nan 0.000 0.296 19 P C -1.373 176.032 177.300 0.175 0.000 1.301 19 P CA -0.665 62.499 63.100 0.107 0.000 0.862 19 P CB 1.669 33.436 31.700 0.111 0.000 1.046 20 K N 1.702 122.173 120.400 0.119 0.000 2.705 20 K HA 0.459 4.780 4.320 0.001 0.000 0.238 20 K C -1.361 175.249 176.600 0.015 0.000 0.996 20 K CA -0.795 55.544 56.287 0.086 0.000 1.007 20 K CB 2.154 34.706 32.500 0.087 0.000 1.206 20 K HN 0.212 nan 8.250 nan 0.000 0.488 21 V N 4.158 124.067 119.914 -0.010 0.000 2.443 21 V HA 0.262 4.382 4.120 0.001 0.000 0.293 21 V C -0.552 175.459 176.094 -0.139 0.000 1.021 21 V CA -0.877 61.382 62.300 -0.070 0.000 0.848 21 V CB 1.116 32.913 31.823 -0.043 0.000 0.998 21 V HN 0.654 nan 8.190 nan 0.000 0.424 22 K N 4.944 125.195 120.400 -0.248 0.000 2.513 22 K HA -0.080 4.241 4.320 0.001 0.000 0.275 22 K C -0.281 176.104 176.600 -0.357 0.000 1.025 22 K CA 0.477 56.534 56.287 -0.383 0.000 1.125 22 K CB 0.383 32.470 32.500 -0.688 0.000 0.843 22 K HN 0.748 nan 8.250 nan 0.000 0.486 23 Q N 4.085 123.750 119.800 -0.226 0.000 2.456 23 Q HA 0.109 4.450 4.340 0.001 0.000 0.234 23 Q C -1.109 174.874 176.000 -0.029 0.000 1.061 23 Q CA -0.278 55.472 55.803 -0.088 0.000 0.896 23 Q CB 0.311 29.041 28.738 -0.013 0.000 1.233 23 Q HN 0.526 nan 8.270 nan 0.000 0.506 24 W N 4.746 126.039 121.300 -0.012 0.000 2.304 24 W HA 0.225 4.885 4.660 0.000 0.000 0.313 24 W C -1.808 174.705 176.519 -0.009 0.000 1.323 24 W CA -2.179 55.157 57.345 -0.016 0.000 1.223 24 W CB 0.180 29.623 29.460 -0.028 0.000 1.237 24 W HN 0.447 nan 8.180 nan 0.000 0.535 25 P HA -0.151 nan 4.420 nan 0.000 0.267 25 P C -0.024 177.333 177.300 0.095 0.000 1.175 25 P CA 0.538 63.721 63.100 0.137 0.000 0.763 25 P CB 0.481 32.250 31.700 0.115 0.000 0.795 26 L N 1.040 122.298 121.223 0.059 0.000 2.421 26 L HA 0.511 4.851 4.340 0.001 0.000 0.267 26 L C 1.246 178.118 176.870 0.003 0.000 1.036 26 L CA -0.373 54.487 54.840 0.033 0.000 0.829 26 L CB 0.378 42.448 42.059 0.019 0.000 1.437 26 L HN 0.387 nan 8.230 nan 0.000 0.488 27 T N -2.932 111.610 114.554 -0.021 0.000 2.881 27 T HA 0.237 4.587 4.350 0.001 0.000 0.278 27 T C 1.040 175.706 174.700 -0.056 0.000 0.982 27 T CA -0.500 61.584 62.100 -0.026 0.000 0.989 27 T CB 1.282 70.145 68.868 -0.008 0.000 1.058 27 T HN 0.449 nan 8.240 nan 0.000 0.529 28 E N 1.259 121.438 120.200 -0.035 0.000 2.020 28 E HA -0.237 4.113 4.350 0.001 0.000 0.229 28 E C 2.082 178.631 176.600 -0.086 0.000 1.022 28 E CA 2.059 58.435 56.400 -0.039 0.000 0.903 28 E CB -0.548 29.145 29.700 -0.012 0.000 0.812 28 E HN 0.964 nan 8.360 nan 0.000 0.529 29 E N 1.782 121.927 120.200 -0.092 0.000 2.204 29 E HA -0.185 4.166 4.350 0.001 0.000 0.195 29 E C 1.784 178.142 176.600 -0.403 0.000 0.990 29 E CA 1.095 57.406 56.400 -0.150 0.000 0.821 29 E CB -0.309 29.379 29.700 -0.020 0.000 0.750 29 E HN 0.213 nan 8.360 nan 0.000 0.477 30 K N 0.647 120.740 120.400 -0.513 0.000 2.044 30 K HA -0.130 4.190 4.320 0.001 0.000 0.210 30 K C 2.421 178.775 176.600 -0.409 0.000 1.049 30 K CA 2.078 57.934 56.287 -0.718 0.000 0.927 30 K CB -0.284 31.943 32.500 -0.455 0.000 0.713 30 K HN 0.211 nan 8.250 nan 0.000 0.443 31 I N 1.077 121.512 120.570 -0.225 0.000 2.076 31 I HA -0.344 3.826 4.170 0.001 0.000 0.237 31 I C 2.578 178.617 176.117 -0.130 0.000 1.059 31 I CA 1.373 62.596 61.300 -0.127 0.000 1.317 31 I CB -0.511 37.448 38.000 -0.069 0.000 1.037 31 I HN 0.210 nan 8.210 nan 0.000 0.398 32 K N 1.368 121.691 120.400 -0.127 0.000 2.049 32 K HA -0.325 3.995 4.320 0.001 0.000 0.219 32 K C 2.160 178.693 176.600 -0.112 0.000 1.056 32 K CA 2.368 58.599 56.287 -0.094 0.000 0.946 32 K CB -0.305 32.150 32.500 -0.076 0.000 0.723 32 K HN 0.352 nan 8.250 nan 0.000 0.453 33 A N 1.099 123.788 122.820 -0.218 0.000 1.849 33 A HA -0.212 4.108 4.320 0.001 0.000 0.217 33 A C 2.124 179.642 177.584 -0.110 0.000 1.202 33 A CA 1.845 53.765 52.037 -0.195 0.000 0.629 33 A CB -0.977 17.714 19.000 -0.515 0.000 0.834 33 A HN 0.395 nan 8.150 nan 0.000 0.447 34 L N -0.202 120.938 121.223 -0.138 0.000 2.089 34 L HA -0.190 4.151 4.340 0.001 0.000 0.213 34 L C 2.543 179.390 176.870 -0.038 0.000 1.079 34 L CA 1.799 56.602 54.840 -0.060 0.000 0.758 34 L CB -0.530 41.508 42.059 -0.035 0.000 0.891 34 L HN 0.232 nan 8.230 nan 0.000 0.433 35 V N -0.907 118.986 119.914 -0.036 0.000 2.307 35 V HA -0.275 3.845 4.120 0.001 0.000 0.245 35 V C 2.364 178.443 176.094 -0.024 0.000 1.045 35 V CA 1.791 64.083 62.300 -0.015 0.000 1.024 35 V CB -0.584 31.236 31.823 -0.004 0.000 0.651 35 V HN 0.485 nan 8.190 nan 0.000 0.449 36 E N 0.201 120.388 120.200 -0.022 0.000 2.012 36 E HA -0.229 4.121 4.350 0.001 0.000 0.197 36 E C 2.221 178.808 176.600 -0.022 0.000 1.007 36 E CA 1.891 58.285 56.400 -0.010 0.000 0.816 36 E CB -0.313 29.393 29.700 0.009 0.000 0.762 36 E HN 0.507 nan 8.360 nan 0.000 0.451 37 I N 1.080 121.639 120.570 -0.019 0.000 2.068 37 I HA -0.407 3.764 4.170 0.001 0.000 0.238 37 I C 2.754 178.816 176.117 -0.092 0.000 1.046 37 I CA 1.169 62.451 61.300 -0.031 0.000 1.306 37 I CB -0.538 37.454 38.000 -0.013 0.000 1.023 37 I HN 0.287 nan 8.210 nan 0.000 0.399 38 C N 0.500 119.718 119.300 -0.137 0.000 2.403 38 C HA -0.201 4.260 4.460 0.001 0.000 0.277 38 C C 3.030 177.861 174.990 -0.265 0.000 1.248 38 C CA 1.792 60.633 59.018 -0.295 0.000 1.762 38 C CB -1.270 26.203 27.740 -0.445 0.000 2.014 38 C HN 0.577 nan 8.230 nan 0.000 0.486 39 T N 0.370 114.849 114.554 -0.125 0.000 2.684 39 T HA -0.183 4.168 4.350 0.001 0.000 0.267 39 T C 1.615 176.281 174.700 -0.056 0.000 1.036 39 T CA 1.690 63.760 62.100 -0.049 0.000 1.148 39 T CB -0.264 68.597 68.868 -0.011 0.000 0.863 39 T HN 0.506 nan 8.240 nan 0.000 0.436 40 E N 1.072 121.234 120.200 -0.062 0.000 2.017 40 E HA -0.015 4.335 4.350 0.001 0.000 0.193 40 E C 2.222 178.772 176.600 -0.084 0.000 0.997 40 E CA 1.184 57.552 56.400 -0.053 0.000 0.804 40 E CB -0.522 29.156 29.700 -0.036 0.000 0.757 40 E HN 0.495 nan 8.360 nan 0.000 0.448 41 M N 0.185 119.700 119.600 -0.141 0.000 2.143 41 M HA -0.238 4.243 4.480 0.001 0.000 0.258 41 M C 2.290 178.487 176.300 -0.173 0.000 1.071 41 M CA 1.767 56.942 55.300 -0.209 0.000 1.088 41 M CB -0.284 32.111 32.600 -0.341 0.000 1.360 41 M HN 0.148 nan 8.290 nan 0.000 0.404 42 E N 0.914 121.030 120.200 -0.139 0.000 2.046 42 E HA -0.223 4.128 4.350 0.001 0.000 0.190 42 E C 1.973 178.559 176.600 -0.022 0.000 0.982 42 E CA 1.059 57.432 56.400 -0.044 0.000 0.800 42 E CB -0.065 29.674 29.700 0.064 0.000 0.756 42 E HN 0.376 nan 8.360 nan 0.000 0.449 43 K N 0.127 120.512 120.400 -0.025 0.000 2.362 43 K HA -0.233 4.087 4.320 0.001 0.000 0.202 43 K C 1.324 177.914 176.600 -0.016 0.000 1.045 43 K CA 1.682 57.960 56.287 -0.014 0.000 0.936 43 K CB 0.096 32.588 32.500 -0.014 0.000 0.747 43 K HN 0.098 nan 8.250 nan 0.000 0.467 44 E N -2.143 118.040 120.200 -0.029 0.000 2.330 44 E HA 0.118 4.468 4.350 0.001 0.000 0.200 44 E C 0.777 177.367 176.600 -0.016 0.000 0.922 44 E CA 0.685 57.073 56.400 -0.019 0.000 0.935 44 E CB 1.102 30.790 29.700 -0.020 0.000 0.917 44 E HN 0.440 nan 8.360 nan 0.000 0.491 45 G N 0.424 109.204 108.800 -0.034 0.000 2.229 45 G HA2 -0.225 3.736 3.960 0.001 0.000 0.189 45 G HA3 -0.225 3.736 3.960 0.001 0.000 0.189 45 G C 0.992 175.863 174.900 -0.047 0.000 1.000 45 G CA 0.312 45.398 45.100 -0.022 0.000 0.663 45 G HN 0.005 nan 8.290 nan 0.000 0.493 46 K N 0.508 120.846 120.400 -0.104 0.000 2.127 46 K HA 0.047 4.367 4.320 0.001 0.000 0.208 46 K C 1.528 177.959 176.600 -0.283 0.000 1.047 46 K CA 1.980 58.146 56.287 -0.202 0.000 0.927 46 K CB -0.255 31.999 32.500 -0.410 0.000 0.716 46 K HN 0.923 nan 8.250 nan 0.000 0.450 47 I N -5.317 115.109 120.570 -0.239 0.000 3.174 47 I HA 0.524 4.694 4.170 0.001 0.000 0.313 47 I C -0.992 175.133 176.117 0.013 0.000 1.155 47 I CA -1.050 60.139 61.300 -0.184 0.000 0.977 47 I CB 2.739 40.578 38.000 -0.269 0.000 1.248 47 I HN -0.336 nan 8.210 nan 0.000 0.453 48 S N 0.924 116.688 115.700 0.107 0.000 2.543 48 S HA 0.350 4.821 4.470 0.001 0.000 0.273 48 S C -1.100 173.481 174.600 -0.032 0.000 1.152 48 S CA -0.956 57.287 58.200 0.072 0.000 0.910 48 S CB 1.945 65.152 63.200 0.011 0.000 1.105 48 S HN 0.539 nan 8.310 nan 0.000 0.465 49 K N 1.637 121.916 120.400 -0.202 0.000 2.416 49 K HA 0.246 4.566 4.320 0.001 0.000 0.283 49 K C -0.203 176.234 176.600 -0.271 0.000 1.037 49 K CA -0.115 55.901 56.287 -0.451 0.000 0.995 49 K CB 0.243 32.456 32.500 -0.478 0.000 0.938 49 K HN 0.465 nan 8.250 nan 0.000 0.475 50 I N 1.515 121.917 120.570 -0.280 0.000 2.525 50 I HA 0.350 4.521 4.170 0.001 0.000 0.301 50 I C 0.504 176.509 176.117 -0.187 0.000 0.992 50 I CA -0.120 61.068 61.300 -0.187 0.000 1.162 50 I CB 1.351 39.263 38.000 -0.147 0.000 1.332 50 I HN 0.651 nan 8.210 nan 0.000 0.458 51 G N 5.790 114.503 108.800 -0.145 0.000 2.590 51 G HA2 0.277 4.237 3.960 0.001 0.000 0.276 51 G HA3 0.277 4.237 3.960 0.001 0.000 0.276 51 G C -2.015 172.806 174.900 -0.133 0.000 1.337 51 G CA -0.312 44.709 45.100 -0.131 0.000 1.030 51 G HN 0.654 nan 8.290 nan 0.000 0.534 52 P HA 0.153 nan 4.420 nan 0.000 0.257 52 P C 0.602 177.831 177.300 -0.117 0.000 1.281 52 P CA 0.333 63.365 63.100 -0.112 0.000 0.826 52 P CB 0.543 32.185 31.700 -0.095 0.000 1.237 53 E N 0.176 120.303 120.200 -0.122 0.000 2.072 53 E HA -0.107 4.244 4.350 0.001 0.000 0.191 53 E C 0.557 177.047 176.600 -0.183 0.000 0.985 53 E CA 0.661 56.981 56.400 -0.133 0.000 0.801 53 E CB -1.339 28.290 29.700 -0.117 0.000 0.750 53 E HN 0.205 nan 8.360 nan 0.000 0.452 54 N N 2.465 121.052 118.700 -0.189 0.000 2.394 54 N HA -0.038 4.702 4.740 0.001 0.000 0.277 54 N C -1.970 173.350 175.510 -0.318 0.000 1.346 54 N CA -0.404 52.491 53.050 -0.259 0.000 0.910 54 N CB 0.464 38.855 38.487 -0.161 0.000 1.201 54 N HN 0.025 nan 8.380 nan 0.000 0.488 55 P HA -0.101 nan 4.420 nan 0.000 0.222 55 P C -0.592 176.524 177.300 -0.307 0.000 1.147 55 P CA 1.089 63.915 63.100 -0.457 0.000 0.790 55 P CB 0.159 31.493 31.700 -0.611 0.000 0.780 56 Y N 0.015 120.295 120.300 -0.033 0.000 2.320 56 Y HA 0.513 5.064 4.550 0.001 0.000 0.324 56 Y C 1.065 176.970 175.900 0.009 0.000 1.190 56 Y CA -1.235 56.867 58.100 0.003 0.000 1.215 56 Y CB 0.375 38.845 38.460 0.017 0.000 1.221 56 Y HN -0.139 nan 8.280 nan 0.000 0.486 57 N N 0.106 118.923 118.700 0.196 0.000 2.636 57 N HA 0.304 5.044 4.740 0.001 0.000 0.261 57 N C -1.954 173.624 175.510 0.114 0.000 1.195 57 N CA -0.499 52.632 53.050 0.135 0.000 0.902 57 N CB 2.151 40.676 38.487 0.063 0.000 1.627 57 N HN 0.705 nan 8.380 nan 0.000 0.491 58 T N 0.169 114.791 114.554 0.114 0.000 2.876 58 T HA 0.571 4.922 4.350 0.001 0.000 0.289 58 T C -2.918 171.798 174.700 0.027 0.000 1.014 58 T CA -1.554 60.566 62.100 0.033 0.000 0.986 58 T CB 1.804 70.637 68.868 -0.058 0.000 1.021 58 T HN 0.257 nan 8.240 nan 0.000 0.458 59 P HA 0.260 nan 4.420 nan 0.000 0.269 59 P C -0.843 176.495 177.300 0.064 0.000 1.211 59 P CA -0.439 62.677 63.100 0.026 0.000 0.781 59 P CB 0.473 32.160 31.700 -0.022 0.000 0.877 60 V N 4.134 124.145 119.914 0.162 0.000 2.624 60 V HA 0.615 4.735 4.120 0.001 0.000 0.294 60 V C -1.577 174.721 176.094 0.341 0.000 1.077 60 V CA -0.629 61.804 62.300 0.222 0.000 0.905 60 V CB 0.315 32.260 31.823 0.202 0.000 1.025 60 V HN 0.407 nan 8.190 nan 0.000 0.440 61 F N 5.172 125.129 119.950 0.012 0.000 2.598 61 F HA 1.034 5.562 4.527 0.001 0.000 0.327 61 F C 0.032 175.854 175.800 0.037 0.000 1.057 61 F CA -1.346 56.669 58.000 0.026 0.000 0.957 61 F CB 1.088 40.114 39.000 0.043 0.000 1.278 61 F HN 0.682 nan 8.300 nan 0.000 0.484 62 A N 1.672 124.502 122.820 0.016 0.000 2.263 62 A HA 0.895 5.215 4.320 0.001 0.000 0.318 62 A C -1.188 176.482 177.584 0.143 0.000 1.111 62 A CA -0.922 51.108 52.037 -0.012 0.000 0.901 62 A CB 1.141 20.085 19.000 -0.094 0.000 1.280 62 A HN 1.114 nan 8.150 nan 0.000 0.503 63 I N -0.516 120.319 120.570 0.443 0.000 2.735 63 I HA 0.296 4.466 4.170 0.001 0.000 0.287 63 I C -1.073 175.145 176.117 0.169 0.000 1.452 63 I CA -0.661 60.869 61.300 0.383 0.000 1.061 63 I CB 1.710 39.734 38.000 0.040 0.000 1.383 63 I HN 0.674 nan 8.210 nan 0.000 0.425 64 K N 7.056 127.177 120.400 -0.464 0.000 2.412 64 K HA 0.133 4.453 4.320 0.001 0.000 0.284 64 K C -0.437 175.929 176.600 -0.389 0.000 1.046 64 K CA 0.081 55.814 56.287 -0.923 0.000 0.999 64 K CB 0.541 32.330 32.500 -1.186 0.000 0.941 64 K HN 0.344 nan 8.250 nan 0.000 0.474 65 K N 4.048 124.274 120.400 -0.290 0.000 2.297 65 K HA 0.049 4.369 4.320 0.001 0.000 0.286 65 K C 0.079 176.585 176.600 -0.157 0.000 1.053 65 K CA -0.052 56.140 56.287 -0.158 0.000 0.940 65 K CB 0.895 33.342 32.500 -0.089 0.000 1.019 65 K HN 0.577 nan 8.250 nan 0.000 0.475 66 K N 1.407 121.738 120.400 -0.116 0.000 2.059 66 K HA -0.180 4.141 4.320 0.001 0.000 0.212 66 K C 0.610 177.162 176.600 -0.080 0.000 1.050 66 K CA 1.251 57.481 56.287 -0.096 0.000 0.927 66 K CB -0.494 31.966 32.500 -0.067 0.000 0.714 66 K HN 0.571 nan 8.250 nan 0.000 0.447 67 D N 0.635 120.998 120.400 -0.062 0.000 2.525 67 D HA -0.005 4.636 4.640 0.001 0.000 0.235 67 D C 0.252 176.521 176.300 -0.052 0.000 1.137 67 D CA 0.652 54.625 54.000 -0.045 0.000 0.868 67 D CB 0.527 41.309 40.800 -0.030 0.000 1.180 67 D HN 0.224 nan 8.370 nan 0.000 0.465 68 S N 1.924 117.600 115.700 -0.039 0.000 4.041 68 S HA -0.297 4.173 4.470 0.001 0.000 0.549 68 S C 0.752 175.314 174.600 -0.062 0.000 1.977 68 S CA 1.570 59.748 58.200 -0.038 0.000 4.160 68 S CB -1.298 61.888 63.200 -0.024 0.000 0.741 68 S HN 0.769 nan 8.310 nan 0.000 0.622 69 T N 1.473 115.988 114.554 -0.065 0.000 3.816 69 T HA 0.405 4.755 4.350 0.001 0.000 0.232 69 T C -1.233 173.402 174.700 -0.109 0.000 1.125 69 T CA -0.358 61.679 62.100 -0.106 0.000 1.609 69 T CB -0.068 68.755 68.868 -0.074 0.000 0.805 69 T HN 0.300 nan 8.240 nan 0.000 0.647 70 K N 1.357 121.682 120.400 -0.125 0.000 2.318 70 K HA 0.535 4.855 4.320 0.001 0.000 0.249 70 K C -0.890 175.636 176.600 -0.123 0.000 0.942 70 K CA -0.659 55.594 56.287 -0.056 0.000 0.808 70 K CB 1.449 33.952 32.500 0.005 0.000 1.189 70 K HN 0.369 nan 8.250 nan 0.000 0.428 71 W N 1.845 123.141 121.300 -0.007 0.000 2.253 71 W HA 0.431 5.091 4.660 0.000 0.000 0.348 71 W C 0.614 177.119 176.519 -0.023 0.000 1.229 71 W CA -0.409 56.926 57.345 -0.016 0.000 1.335 71 W CB 0.760 30.213 29.460 -0.011 0.000 1.165 71 W HN 0.156 nan 8.180 nan 0.000 0.631 72 R N 1.569 122.222 120.500 0.255 0.000 2.574 72 R HA 0.237 4.577 4.340 0.001 0.000 0.288 72 R C -0.798 175.541 176.300 0.065 0.000 1.004 72 R CA -1.277 54.893 56.100 0.117 0.000 0.895 72 R CB 2.181 32.509 30.300 0.047 0.000 1.191 72 R HN 0.364 nan 8.270 nan 0.000 0.444 73 K N 3.329 123.752 120.400 0.038 0.000 2.379 73 K HA 0.234 4.554 4.320 0.001 0.000 0.284 73 K C -0.926 175.633 176.600 -0.068 0.000 1.044 73 K CA 0.004 56.281 56.287 -0.017 0.000 0.974 73 K CB 0.557 33.054 32.500 -0.005 0.000 0.962 73 K HN 0.474 nan 8.250 nan 0.000 0.474 74 L N 5.149 126.261 121.223 -0.186 0.000 2.439 74 L HA 0.377 4.718 4.340 0.001 0.000 0.270 74 L C -1.651 175.112 176.870 -0.179 0.000 0.972 74 L CA -0.797 53.877 54.840 -0.278 0.000 0.836 74 L CB 1.934 43.621 42.059 -0.621 0.000 1.255 74 L HN 0.382 nan 8.230 nan 0.000 0.404 75 V N 3.649 123.521 119.914 -0.069 0.000 2.357 75 V HA 0.214 4.334 4.120 0.001 0.000 0.281 75 V C -0.778 175.199 176.094 -0.195 0.000 1.015 75 V CA -0.767 61.441 62.300 -0.154 0.000 0.827 75 V CB 1.574 33.102 31.823 -0.492 0.000 1.018 75 V HN 0.800 nan 8.190 nan 0.000 0.432 76 D N 3.606 124.033 120.400 0.046 0.000 2.401 76 D HA 0.069 4.710 4.640 0.001 0.000 0.254 76 D C 0.091 176.341 176.300 -0.083 0.000 1.192 76 D CA 0.046 54.090 54.000 0.074 0.000 0.885 76 D CB 0.740 41.612 40.800 0.121 0.000 1.147 76 D HN 0.350 nan 8.370 nan 0.000 0.478 77 F N 1.338 121.347 119.950 0.097 0.000 2.641 77 F HA 0.270 4.798 4.527 0.000 0.000 0.302 77 F C 2.101 177.966 175.800 0.108 0.000 1.098 77 F CA -0.642 57.426 58.000 0.113 0.000 1.318 77 F CB 0.036 39.135 39.000 0.166 0.000 1.035 77 F HN 0.228 nan 8.300 nan 0.000 0.551 78 R N 0.528 121.157 120.500 0.214 0.000 2.190 78 R HA -0.249 4.091 4.340 0.001 0.000 0.255 78 R C 1.816 178.200 176.300 0.140 0.000 1.143 78 R CA 1.998 58.185 56.100 0.146 0.000 0.965 78 R CB -0.459 29.897 30.300 0.092 0.000 0.889 78 R HN 0.333 nan 8.270 nan 0.000 0.448 79 E N 0.701 120.982 120.200 0.134 0.000 1.999 79 E HA -0.161 4.189 4.350 0.001 0.000 0.194 79 E C 2.021 178.719 176.600 0.164 0.000 0.995 79 E CA 0.728 57.199 56.400 0.119 0.000 0.825 79 E CB -0.576 29.179 29.700 0.090 0.000 0.777 79 E HN 0.122 nan 8.360 nan 0.000 0.459 80 L N 2.157 123.516 121.223 0.228 0.000 2.283 80 L HA -0.239 4.101 4.340 0.001 0.000 0.217 80 L C 1.469 178.539 176.870 0.333 0.000 1.104 80 L CA 1.640 56.654 54.840 0.290 0.000 0.772 80 L CB -0.462 41.857 42.059 0.434 0.000 0.899 80 L HN 0.057 nan 8.230 nan 0.000 0.439 81 N N -0.520 118.358 118.700 0.297 0.000 2.220 81 N HA -0.077 4.664 4.740 0.001 0.000 0.182 81 N C 1.677 177.262 175.510 0.124 0.000 1.023 81 N CA 1.082 54.258 53.050 0.209 0.000 0.856 81 N CB -0.180 38.403 38.487 0.160 0.000 0.997 81 N HN 0.373 nan 8.380 nan 0.000 0.429 82 K N 0.794 121.257 120.400 0.105 0.000 2.211 82 K HA -0.033 4.287 4.320 0.001 0.000 0.204 82 K C 1.581 178.216 176.600 0.058 0.000 1.047 82 K CA 0.922 57.248 56.287 0.065 0.000 0.935 82 K CB 0.007 32.541 32.500 0.057 0.000 0.728 82 K HN 0.178 nan 8.250 nan 0.000 0.452 83 R N 0.118 120.664 120.500 0.077 0.000 2.280 83 R HA 0.066 4.407 4.340 0.001 0.000 0.195 83 R C 0.841 177.180 176.300 0.066 0.000 0.935 83 R CA 0.119 56.248 56.100 0.049 0.000 1.033 83 R CB 0.331 30.646 30.300 0.025 0.000 0.964 83 R HN 0.064 nan 8.270 nan 0.000 0.489 84 T N 1.162 115.795 114.554 0.133 0.000 2.715 84 T HA 0.004 4.354 4.350 0.001 0.000 0.320 84 T C 0.617 175.339 174.700 0.038 0.000 1.046 84 T CA -0.298 61.908 62.100 0.176 0.000 0.983 84 T CB 0.635 69.681 68.868 0.297 0.000 1.183 84 T HN 0.202 nan 8.240 nan 0.000 0.522 85 Q N -0.139 119.631 119.800 -0.051 0.000 2.448 85 Q HA 0.508 4.849 4.340 0.001 0.000 0.192 85 Q C -1.276 174.544 176.000 -0.300 0.000 1.001 85 Q CA -0.893 54.775 55.803 -0.226 0.000 1.018 85 Q CB 0.598 29.105 28.738 -0.384 0.000 1.290 85 Q HN 0.340 nan 8.270 nan 0.000 0.517 86 D N -0.621 119.552 120.400 -0.379 0.000 2.228 86 D HA 0.514 5.154 4.640 0.001 0.000 0.247 86 D C -1.412 174.590 176.300 -0.496 0.000 0.995 86 D CA -0.182 53.653 54.000 -0.275 0.000 0.903 86 D CB 0.986 41.711 40.800 -0.126 0.000 1.205 86 D HN 0.330 nan 8.370 nan 0.000 0.459 87 F N 0.069 119.984 119.950 -0.059 0.000 2.593 87 F HA 0.288 4.816 4.527 0.000 0.000 0.320 87 F C -0.069 175.770 175.800 0.066 0.000 1.060 87 F CA -1.268 56.722 58.000 -0.016 0.000 0.940 87 F CB 1.197 40.139 39.000 -0.096 0.000 1.268 87 F HN 0.290 nan 8.300 nan 0.000 0.475 88 W N 4.483 125.865 121.300 0.137 0.000 2.534 88 W HA -0.040 4.620 4.660 0.001 0.000 0.340 88 W C 0.025 176.582 176.519 0.062 0.000 1.352 88 W CA -0.201 57.186 57.345 0.070 0.000 1.305 88 W CB 0.530 30.025 29.460 0.059 0.000 1.299 88 W HN 0.488 nan 8.180 nan 0.000 0.572 89 E N 4.043 123.873 120.200 -0.617 0.000 2.820 89 E HA -0.112 4.238 4.350 0.001 0.000 0.251 89 E C 1.138 177.282 176.600 -0.760 0.000 0.944 89 E CA 0.411 56.417 56.400 -0.656 0.000 0.955 89 E CB 1.070 30.387 29.700 -0.638 0.000 0.904 89 E HN 0.520 nan 8.360 nan 0.000 0.513 90 V N 2.981 122.667 119.914 -0.381 0.000 2.591 90 V HA -0.177 3.943 4.120 0.001 0.000 0.249 90 V C 0.960 176.932 176.094 -0.202 0.000 1.053 90 V CA 1.134 63.281 62.300 -0.256 0.000 1.068 90 V CB -0.509 31.222 31.823 -0.154 0.000 0.689 90 V HN 0.476 nan 8.190 nan 0.000 0.462 91 Q N 0.236 119.919 119.800 -0.195 0.000 2.274 91 Q HA 0.658 4.999 4.340 0.001 0.000 0.256 91 Q C -0.151 175.759 176.000 -0.150 0.000 0.927 91 Q CA -0.029 55.705 55.803 -0.116 0.000 0.939 91 Q CB 1.889 30.578 28.738 -0.083 0.000 1.201 91 Q HN 0.349 nan 8.270 nan 0.000 0.426 92 L N 0.628 121.805 121.223 -0.076 0.000 3.337 92 L HA 0.408 4.749 4.340 0.001 0.000 0.313 92 L C 0.421 177.296 176.870 0.009 0.000 1.071 92 L CA -0.062 54.740 54.840 -0.062 0.000 1.192 92 L CB 1.278 43.289 42.059 -0.080 0.000 1.895 92 L HN 0.816 nan 8.230 nan 0.000 0.596 93 G N 1.057 109.884 108.800 0.046 0.000 2.282 93 G HA2 0.279 4.239 3.960 0.001 0.000 0.274 93 G HA3 0.279 4.239 3.960 0.001 0.000 0.274 93 G C -1.522 173.449 174.900 0.118 0.000 1.718 93 G CA -0.766 44.374 45.100 0.068 0.000 0.927 93 G HN -0.189 nan 8.290 nan 0.000 0.733 94 I N 1.763 122.410 120.570 0.128 0.000 2.499 94 I HA 0.418 4.588 4.170 0.001 0.000 0.296 94 I C -1.290 174.904 176.117 0.129 0.000 0.992 94 I CA -2.298 59.122 61.300 0.200 0.000 1.297 94 I CB 0.626 38.733 38.000 0.179 0.000 1.410 94 I HN 0.300 nan 8.210 nan 0.000 0.507 95 P HA 0.133 nan 4.420 nan 0.000 0.270 95 P C -0.915 176.329 177.300 -0.095 0.000 1.227 95 P CA 0.089 63.122 63.100 -0.111 0.000 0.788 95 P CB 0.325 31.804 31.700 -0.368 0.000 0.926 96 H N 0.277 119.145 119.070 -0.336 0.000 2.505 96 H HA 0.277 4.834 4.556 0.001 0.000 0.338 96 H C -1.758 173.172 175.328 -0.664 0.000 1.057 96 H CA -2.004 53.761 56.048 -0.472 0.000 1.202 96 H CB 1.452 30.942 29.762 -0.454 0.000 1.466 96 H HN 0.216 nan 8.280 nan 0.000 0.499 97 P HA -0.273 nan 4.420 nan 0.000 0.218 97 P C 0.873 177.796 177.300 -0.629 0.000 1.150 97 P CA 2.086 64.591 63.100 -0.993 0.000 0.841 97 P CB 0.117 30.834 31.700 -1.638 0.000 0.784 98 A N -0.690 121.852 122.820 -0.463 0.000 2.067 98 A HA 0.024 4.345 4.320 0.001 0.000 0.219 98 A C 2.331 180.018 177.584 0.172 0.000 1.158 98 A CA 1.626 53.721 52.037 0.096 0.000 0.661 98 A CB -1.511 17.671 19.000 0.304 0.000 0.801 98 A HN 0.307 nan 8.150 nan 0.000 0.452 99 G N -0.733 107.928 108.800 -0.233 0.000 2.744 99 G HA2 0.269 4.229 3.960 0.001 0.000 0.211 99 G HA3 0.269 4.229 3.960 0.001 0.000 0.211 99 G C 0.528 175.385 174.900 -0.072 0.000 1.143 99 G CA -0.149 44.730 45.100 -0.368 0.000 0.788 99 G HN 0.410 nan 8.290 nan 0.000 0.534 100 L N 0.921 122.106 121.223 -0.064 0.000 2.331 100 L HA 0.357 4.698 4.340 0.001 0.000 0.278 100 L C 0.065 176.915 176.870 -0.033 0.000 1.106 100 L CA -0.942 53.794 54.840 -0.174 0.000 0.824 100 L CB 1.123 42.888 42.059 -0.491 0.000 1.142 100 L HN -0.135 nan 8.230 nan 0.000 0.443 101 K N 2.466 122.861 120.400 -0.008 0.000 2.258 101 K HA 0.171 4.491 4.320 0.001 0.000 0.264 101 K C -0.215 176.328 176.600 -0.094 0.000 1.007 101 K CA -0.236 56.076 56.287 0.042 0.000 0.941 101 K CB 0.439 32.966 32.500 0.044 0.000 0.966 101 K HN 0.317 nan 8.250 nan 0.000 0.480 102 K N 2.287 122.703 120.400 0.028 0.000 2.234 102 K HA 0.119 4.439 4.320 0.001 0.000 0.282 102 K C -0.588 176.026 176.600 0.024 0.000 1.039 102 K CA -0.382 55.946 56.287 0.068 0.000 0.928 102 K CB 0.511 33.147 32.500 0.226 0.000 1.039 102 K HN 0.232 nan 8.250 nan 0.000 0.470 103 K N 3.383 123.787 120.400 0.007 0.000 2.267 103 K HA 0.164 4.485 4.320 0.001 0.000 0.246 103 K C 0.250 176.869 176.600 0.032 0.000 0.954 103 K CA -0.593 55.704 56.287 0.016 0.000 0.824 103 K CB 1.851 34.354 32.500 0.005 0.000 1.167 103 K HN 0.560 nan 8.250 nan 0.000 0.431 104 K N 0.358 120.771 120.400 0.022 0.000 2.078 104 K HA 0.107 4.427 4.320 0.001 0.000 0.203 104 K C 0.109 176.683 176.600 -0.044 0.000 1.043 104 K CA 0.803 57.092 56.287 0.003 0.000 0.960 104 K CB 0.316 32.820 32.500 0.006 0.000 0.761 104 K HN 0.410 nan 8.250 nan 0.000 0.448 105 S N 0.129 115.772 115.700 -0.095 0.000 2.503 105 S HA 0.524 4.994 4.470 0.001 0.000 0.301 105 S C -1.571 172.883 174.600 -0.244 0.000 1.087 105 S CA -0.811 57.200 58.200 -0.316 0.000 1.042 105 S CB 2.243 65.022 63.200 -0.701 0.000 1.043 105 S HN 0.122 nan 8.310 nan 0.000 0.489 106 V N 2.355 122.169 119.914 -0.166 0.000 2.969 106 V HA 0.838 4.958 4.120 0.001 0.000 0.304 106 V C -1.084 175.181 176.094 0.285 0.000 1.192 106 V CA 0.014 62.404 62.300 0.149 0.000 0.962 106 V CB 2.259 34.200 31.823 0.196 0.000 1.045 106 V HN 0.884 nan 8.190 nan 0.000 0.428 107 T N 4.272 119.056 114.554 0.383 0.000 2.982 107 T HA 0.535 4.886 4.350 0.001 0.000 0.321 107 T C -1.738 173.054 174.700 0.152 0.000 1.229 107 T CA -0.100 62.194 62.100 0.323 0.000 1.044 107 T CB 1.645 70.695 68.868 0.303 0.000 1.184 107 T HN 1.053 nan 8.240 nan 0.000 0.477 108 V N 6.236 126.134 119.914 -0.028 0.000 2.539 108 V HA 0.718 4.838 4.120 0.001 0.000 0.292 108 V C -0.873 175.099 176.094 -0.203 0.000 1.045 108 V CA -0.567 61.542 62.300 -0.319 0.000 0.945 108 V CB 1.071 32.445 31.823 -0.748 0.000 0.993 108 V HN 0.798 nan 8.190 nan 0.000 0.464 109 L N 5.531 126.626 121.223 -0.214 0.000 2.362 109 L HA 0.566 4.907 4.340 0.001 0.000 0.275 109 L C -0.918 175.862 176.870 -0.150 0.000 0.998 109 L CA -0.822 53.938 54.840 -0.132 0.000 0.820 109 L CB 2.047 44.053 42.059 -0.088 0.000 1.270 109 L HN 0.822 nan 8.230 nan 0.000 0.415 110 D N 1.907 122.244 120.400 -0.105 0.000 2.168 110 D HA 0.417 5.058 4.640 0.001 0.000 0.246 110 D C -0.575 175.690 176.300 -0.058 0.000 1.050 110 D CA -0.527 53.419 54.000 -0.090 0.000 0.857 110 D CB 1.934 42.691 40.800 -0.072 0.000 1.169 110 D HN 0.064 nan 8.370 nan 0.000 0.453 111 V N 3.209 123.091 119.914 -0.054 0.000 2.498 111 V HA 0.419 4.540 4.120 0.001 0.000 0.279 111 V C 1.699 177.770 176.094 -0.038 0.000 1.048 111 V CA 0.160 62.445 62.300 -0.024 0.000 0.967 111 V CB 0.849 32.691 31.823 0.032 0.000 0.988 111 V HN 0.861 nan 8.190 nan 0.000 0.473 112 G N 3.503 112.296 108.800 -0.012 0.000 2.768 112 G HA2 -0.177 3.783 3.960 0.001 0.000 0.181 112 G HA3 -0.177 3.783 3.960 0.001 0.000 0.181 112 G C 0.281 175.171 174.900 -0.016 0.000 1.477 112 G CA 0.698 45.795 45.100 -0.006 0.000 0.826 112 G HN 0.717 nan 8.290 nan 0.000 0.600 113 D N 0.744 121.157 120.400 0.021 0.000 3.179 113 D HA 0.570 5.210 4.640 0.001 0.000 0.267 113 D C 1.552 177.846 176.300 -0.011 0.000 1.348 113 D CA 0.551 54.565 54.000 0.023 0.000 0.897 113 D CB 0.284 41.174 40.800 0.150 0.000 1.062 113 D HN 0.412 nan 8.370 nan 0.000 0.494 114 A N 0.229 122.988 122.820 -0.102 0.000 2.223 114 A HA -0.403 3.917 4.320 0.001 0.000 0.247 114 A C 1.695 179.221 177.584 -0.097 0.000 2.041 114 A CA 1.927 53.885 52.037 -0.132 0.000 0.965 114 A CB -1.478 17.090 19.000 -0.721 0.000 0.749 114 A HN 0.542 nan 8.150 nan 0.000 0.510 115 Y N -1.719 118.416 120.300 -0.275 0.000 1.997 115 Y HA -0.298 4.252 4.550 0.001 0.000 0.265 115 Y C 2.108 178.039 175.900 0.051 0.000 1.193 115 Y CA 1.805 59.781 58.100 -0.207 0.000 1.106 115 Y CB -0.659 37.528 38.460 -0.455 0.000 0.940 115 Y HN 0.392 nan 8.280 nan 0.000 0.494 116 F N -0.462 119.618 119.950 0.217 0.000 2.772 116 F HA -0.043 4.485 4.527 0.001 0.000 0.302 116 F C 1.606 177.491 175.800 0.142 0.000 1.225 116 F CA 0.402 58.509 58.000 0.178 0.000 1.429 116 F CB -0.723 38.364 39.000 0.145 0.000 1.104 116 F HN -0.052 nan 8.300 nan 0.000 0.550 117 S N -1.670 114.210 115.700 0.301 0.000 2.559 117 S HA 0.185 4.656 4.470 0.001 0.000 0.226 117 S C 0.491 175.220 174.600 0.216 0.000 1.030 117 S CA -0.118 58.216 58.200 0.223 0.000 0.956 117 S CB 0.701 64.008 63.200 0.178 0.000 0.900 117 S HN -0.089 nan 8.310 nan 0.000 0.510 118 V N 5.467 125.535 119.914 0.257 0.000 2.407 118 V HA 0.330 4.450 4.120 0.001 0.000 0.278 118 V C -2.491 173.737 176.094 0.223 0.000 1.037 118 V CA -2.123 60.315 62.300 0.230 0.000 0.900 118 V CB 1.133 33.116 31.823 0.267 0.000 0.983 118 V HN 0.112 nan 8.190 nan 0.000 0.459 119 P HA 0.127 nan 4.420 nan 0.000 0.275 119 P C -0.285 177.111 177.300 0.160 0.000 1.276 119 P CA -0.360 62.839 63.100 0.164 0.000 0.782 119 P CB 1.107 32.889 31.700 0.137 0.000 0.851 120 L N 3.736 125.057 121.223 0.164 0.000 2.483 120 L HA 0.065 4.405 4.340 0.001 0.000 0.277 120 L C 0.301 177.254 176.870 0.138 0.000 1.248 120 L CA 0.333 55.252 54.840 0.132 0.000 0.825 120 L CB -0.553 41.558 42.059 0.086 0.000 1.096 120 L HN 0.323 nan 8.230 nan 0.000 0.512 121 D N 1.427 121.914 120.400 0.143 0.000 2.383 121 D HA 0.003 4.643 4.640 0.001 0.000 0.252 121 D C 1.011 177.428 176.300 0.195 0.000 1.166 121 D CA 0.049 54.149 54.000 0.166 0.000 0.879 121 D CB 0.735 41.639 40.800 0.173 0.000 1.164 121 D HN 0.586 nan 8.370 nan 0.000 0.462 122 E N 2.801 123.094 120.200 0.154 0.000 2.035 122 E HA -0.243 4.107 4.350 0.001 0.000 0.204 122 E C 0.668 177.359 176.600 0.152 0.000 1.025 122 E CA 1.663 58.142 56.400 0.132 0.000 0.835 122 E CB -0.168 29.593 29.700 0.101 0.000 0.764 122 E HN 0.693 nan 8.360 nan 0.000 0.457 123 D N -1.115 119.390 120.400 0.175 0.000 2.379 123 D HA -0.088 4.552 4.640 0.001 0.000 0.243 123 D C 0.976 177.450 176.300 0.291 0.000 1.088 123 D CA 0.239 54.350 54.000 0.184 0.000 0.925 123 D CB -0.368 40.543 40.800 0.184 0.000 0.888 123 D HN 0.148 nan 8.370 nan 0.000 0.529 124 F N 0.089 120.125 119.950 0.143 0.000 2.789 124 F HA 0.272 4.800 4.527 0.000 0.000 0.320 124 F C 1.615 177.500 175.800 0.141 0.000 1.079 124 F CA -0.406 57.744 58.000 0.250 0.000 1.205 124 F CB 0.480 39.614 39.000 0.223 0.000 1.046 124 F HN -0.267 nan 8.300 nan 0.000 0.586 125 R N 1.201 121.782 120.500 0.135 0.000 2.159 125 R HA -0.160 4.181 4.340 0.001 0.000 0.237 125 R C 1.994 178.280 176.300 -0.022 0.000 1.131 125 R CA 1.667 57.819 56.100 0.087 0.000 0.982 125 R CB -0.529 29.834 30.300 0.106 0.000 0.868 125 R HN 0.365 nan 8.270 nan 0.000 0.453 126 K N 0.104 120.392 120.400 -0.187 0.000 2.211 126 K HA -0.178 4.142 4.320 0.001 0.000 0.204 126 K C 1.001 177.451 176.600 -0.250 0.000 1.047 126 K CA 1.524 57.665 56.287 -0.244 0.000 0.935 126 K CB -0.300 31.993 32.500 -0.346 0.000 0.728 126 K HN 0.308 nan 8.250 nan 0.000 0.452 127 Y N 2.151 122.306 120.300 -0.242 0.000 2.529 127 Y HA -0.001 4.549 4.550 0.001 0.000 0.290 127 Y C 2.204 178.054 175.900 -0.082 0.000 1.177 127 Y CA 0.923 58.806 58.100 -0.361 0.000 1.305 127 Y CB 0.061 38.019 38.460 -0.836 0.000 1.047 127 Y HN 0.258 nan 8.280 nan 0.000 0.522 128 T N -2.627 112.014 114.554 0.144 0.000 3.105 128 T HA 0.475 4.825 4.350 0.001 0.000 0.253 128 T C 0.801 175.773 174.700 0.453 0.000 1.047 128 T CA -0.114 62.173 62.100 0.313 0.000 0.944 128 T CB -0.459 68.587 68.868 0.298 0.000 1.016 128 T HN 0.160 nan 8.240 nan 0.000 0.544 129 A N 1.906 124.916 122.820 0.317 0.000 2.520 129 A HA 0.540 4.860 4.320 0.001 0.000 0.245 129 A C -0.085 177.697 177.584 0.329 0.000 1.072 129 A CA -0.388 51.810 52.037 0.269 0.000 0.761 129 A CB -0.591 18.478 19.000 0.114 0.000 1.004 129 A HN 0.776 nan 8.150 nan 0.000 0.499 130 F N -0.265 119.761 119.950 0.127 0.000 2.629 130 F HA 0.840 5.367 4.527 0.001 0.000 0.316 130 F C -0.274 175.581 175.800 0.091 0.000 1.081 130 F CA -1.002 57.052 58.000 0.089 0.000 0.954 130 F CB 1.282 40.338 39.000 0.093 0.000 1.337 130 F HN 0.363 nan 8.300 nan 0.000 0.474 131 T N 2.666 117.292 114.554 0.119 0.000 2.848 131 T HA 0.588 4.938 4.350 0.001 0.000 0.285 131 T C -0.547 174.210 174.700 0.096 0.000 0.995 131 T CA -0.516 61.591 62.100 0.010 0.000 0.970 131 T CB 1.541 70.411 68.868 0.002 0.000 0.976 131 T HN 0.601 nan 8.240 nan 0.000 0.441 132 I N 3.697 124.304 120.570 0.061 0.000 2.291 132 I HA 0.295 4.465 4.170 0.001 0.000 0.292 132 I C -2.352 173.790 176.117 0.042 0.000 1.064 132 I CA -2.630 58.720 61.300 0.084 0.000 1.269 132 I CB 0.156 38.216 38.000 0.100 0.000 1.418 132 I HN 0.273 nan 8.210 nan 0.000 0.485 133 P HA 0.125 nan 4.420 nan 0.000 0.271 133 P C -0.133 177.176 177.300 0.015 0.000 1.244 133 P CA -0.074 63.044 63.100 0.029 0.000 0.793 133 P CB 0.607 32.333 31.700 0.044 0.000 0.984 134 S N 0.081 115.787 115.700 0.009 0.000 2.617 134 S HA 0.264 4.734 4.470 0.001 0.000 0.283 134 S C 1.683 176.287 174.600 0.007 0.000 1.189 134 S CA -0.599 57.603 58.200 0.003 0.000 1.036 134 S CB 0.168 63.367 63.200 -0.002 0.000 1.014 134 S HN 0.319 nan 8.310 nan 0.000 0.522 135 I N 1.527 122.098 120.570 0.001 0.000 2.561 135 I HA -0.254 3.916 4.170 0.001 0.000 0.263 135 I C 0.246 176.368 176.117 0.008 0.000 1.171 135 I CA 1.363 62.663 61.300 0.001 0.000 1.430 135 I CB -0.647 37.352 38.000 -0.002 0.000 1.105 135 I HN 0.584 nan 8.210 nan 0.000 0.453 136 N N 0.686 119.393 118.700 0.012 0.000 3.261 136 N HA 0.091 4.831 4.740 0.001 0.000 0.227 136 N C -0.977 174.545 175.510 0.019 0.000 1.338 136 N CA -0.516 52.546 53.050 0.019 0.000 0.833 136 N CB 0.566 39.062 38.487 0.015 0.000 1.606 136 N HN 0.038 nan 8.380 nan 0.000 0.649 141 G N 0.907 109.688 108.800 -0.031 0.000 2.690 141 G HA2 0.223 4.184 3.960 0.001 0.000 0.686 141 G HA3 0.223 4.184 3.960 0.001 0.000 0.686 141 G C -1.096 173.768 174.900 -0.060 0.000 1.277 141 G CA -0.294 44.781 45.100 -0.042 0.000 0.799 141 G HN 0.746 nan 8.290 nan 0.000 0.613 142 I N 0.839 121.366 120.570 -0.071 0.000 2.744 142 I HA 0.644 4.814 4.170 0.001 0.000 0.285 142 I C -0.650 175.375 176.117 -0.153 0.000 1.530 142 I CA -1.018 60.213 61.300 -0.115 0.000 1.064 142 I CB 1.423 39.377 38.000 -0.076 0.000 1.429 142 I HN 1.130 nan 8.210 nan 0.000 0.425 143 R N 5.097 125.425 120.500 -0.287 0.000 2.725 143 R HA 0.676 5.017 4.340 0.001 0.000 0.277 143 R C -2.117 173.850 176.300 -0.555 0.000 0.987 143 R CA -0.827 55.067 56.100 -0.344 0.000 0.901 143 R CB 2.040 32.193 30.300 -0.245 0.000 1.207 143 R HN 0.501 nan 8.270 nan 0.000 0.463 144 Y N -0.240 119.656 120.300 -0.674 0.000 2.693 144 Y HA 0.450 5.001 4.550 0.000 0.000 0.331 144 Y C -0.020 175.666 175.900 -0.358 0.000 1.092 144 Y CA -0.841 56.920 58.100 -0.565 0.000 1.131 144 Y CB 2.729 40.773 38.460 -0.693 0.000 1.318 144 Y HN 0.563 nan 8.280 nan 0.000 0.510 145 Q N -0.362 119.487 119.800 0.080 0.000 2.495 145 Q HA 0.433 4.773 4.340 0.001 0.000 0.287 145 Q C -2.074 174.034 176.000 0.180 0.000 1.078 145 Q CA -0.947 54.968 55.803 0.186 0.000 0.793 145 Q CB 2.344 31.131 28.738 0.082 0.000 1.459 145 Q HN 0.657 nan 8.270 nan 0.000 0.422 146 Y N 1.115 121.534 120.300 0.198 0.000 2.342 146 Y HA 0.298 4.848 4.550 0.001 0.000 0.334 146 Y C 0.561 176.515 175.900 0.090 0.000 1.067 146 Y CA -0.107 58.079 58.100 0.143 0.000 1.128 146 Y CB 1.303 39.837 38.460 0.124 0.000 1.200 146 Y HN 0.635 nan 8.280 nan 0.000 0.464 147 N N 1.125 119.932 118.700 0.178 0.000 2.197 147 N HA 0.107 4.847 4.740 0.001 0.000 0.201 147 N C -0.531 175.088 175.510 0.181 0.000 1.148 147 N CA 0.437 53.573 53.050 0.143 0.000 0.883 147 N CB 1.004 39.538 38.487 0.079 0.000 1.012 147 N HN 0.380 nan 8.380 nan 0.000 0.507 148 V N -2.640 117.435 119.914 0.269 0.000 3.156 148 V HA 0.553 4.674 4.120 0.001 0.000 0.310 148 V C -0.289 176.014 176.094 0.348 0.000 1.234 148 V CA -1.201 61.281 62.300 0.303 0.000 1.065 148 V CB 1.485 33.511 31.823 0.338 0.000 1.088 148 V HN -0.173 nan 8.190 nan 0.000 0.451 149 L N 2.297 123.720 121.223 0.333 0.000 2.456 149 L HA 0.395 4.735 4.340 0.001 0.000 0.277 149 L C -2.243 174.722 176.870 0.157 0.000 1.124 149 L CA -1.243 53.727 54.840 0.216 0.000 0.880 149 L CB 0.264 42.500 42.059 0.294 0.000 1.192 149 L HN 0.467 nan 8.230 nan 0.000 0.463 150 P HA 0.006 nan 4.420 nan 0.000 0.269 150 P C 0.103 177.224 177.300 -0.298 0.000 1.215 150 P CA -0.287 62.610 63.100 -0.338 0.000 0.780 150 P CB 0.779 31.918 31.700 -0.934 0.000 0.898 151 Q N 1.962 121.659 119.800 -0.173 0.000 2.046 151 Q HA -0.029 4.311 4.340 0.001 0.000 0.200 151 Q C 1.701 177.488 176.000 -0.355 0.000 0.975 151 Q CA 2.246 57.827 55.803 -0.370 0.000 0.836 151 Q CB -1.024 27.608 28.738 -0.176 0.000 0.896 151 Q HN 0.637 nan 8.270 nan 0.000 0.428 152 G N -1.013 107.733 108.800 -0.089 0.000 3.605 152 G HA2 0.007 3.967 3.960 0.001 0.000 0.277 152 G HA3 0.007 3.967 3.960 0.001 0.000 0.277 152 G C 0.219 175.068 174.900 -0.084 0.000 1.093 152 G CA -0.288 44.797 45.100 -0.025 0.000 0.821 152 G HN 0.279 nan 8.290 nan 0.000 0.532 153 W N 2.388 123.293 121.300 -0.657 0.000 1.220 153 W HA 0.080 4.741 4.660 0.001 0.000 0.259 153 W C 2.011 178.286 176.519 -0.407 0.000 0.714 153 W CA 2.200 59.031 57.345 -0.856 0.000 0.897 153 W CB 0.016 28.964 29.460 -0.853 0.000 0.989 153 W HN 0.225 nan 8.180 nan 0.000 0.550 154 K N -3.727 116.011 120.400 -1.102 0.000 2.803 154 K HA 0.194 4.515 4.320 0.001 0.000 0.166 154 K C 1.584 177.463 176.600 -1.201 0.000 1.975 154 K CA 0.535 56.246 56.287 -0.960 0.000 1.390 154 K CB -0.655 31.446 32.500 -0.665 0.000 2.217 154 K HN 0.232 nan 8.250 nan 0.000 0.591 155 G N 0.840 108.310 108.800 -2.217 0.000 2.813 155 G HA2 -0.013 3.948 3.960 0.001 0.000 0.209 155 G HA3 -0.013 3.948 3.960 0.001 0.000 0.209 155 G C 1.061 175.262 174.900 -1.164 0.000 1.150 155 G CA 0.676 44.478 45.100 -2.163 0.000 0.785 155 G HN 0.266 nan 8.290 nan 0.000 0.535 156 S N 1.808 117.057 115.700 -0.751 0.000 2.368 156 S HA -0.121 4.350 4.470 0.001 0.000 0.226 156 S C 0.191 174.779 174.600 -0.019 0.000 1.044 156 S CA 1.701 59.824 58.200 -0.128 0.000 1.062 156 S CB -0.803 62.265 63.200 -0.220 0.000 0.931 156 S HN 0.309 nan 8.310 nan 0.000 0.440 157 P HA -0.117 nan 4.420 nan 0.000 0.213 157 P C 1.606 178.890 177.300 -0.026 0.000 1.170 157 P CA 1.699 64.791 63.100 -0.013 0.000 0.902 157 P CB -0.243 31.374 31.700 -0.138 0.000 0.789 158 A N 0.118 122.824 122.820 -0.190 0.000 1.842 158 A HA -0.240 4.080 4.320 0.001 0.000 0.217 158 A C 2.204 179.760 177.584 -0.047 0.000 1.206 158 A CA 2.356 54.311 52.037 -0.137 0.000 0.630 158 A CB -1.834 17.017 19.000 -0.249 0.000 0.839 158 A HN 0.055 nan 8.150 nan 0.000 0.447 159 I N -1.459 119.043 120.570 -0.113 0.000 2.185 159 I HA -0.276 3.894 4.170 0.001 0.000 0.246 159 I C 2.437 178.598 176.117 0.074 0.000 1.088 159 I CA 2.027 63.329 61.300 0.005 0.000 1.347 159 I CB -1.575 36.451 38.000 0.043 0.000 1.041 159 I HN 0.438 nan 8.210 nan 0.000 0.415 160 F N 1.963 121.899 119.950 -0.024 0.000 2.046 160 F HA -0.314 4.213 4.527 0.001 0.000 0.297 160 F C 2.854 178.614 175.800 -0.068 0.000 1.123 160 F CA 2.356 60.331 58.000 -0.041 0.000 1.199 160 F CB -0.524 38.434 39.000 -0.071 0.000 0.972 160 F HN 0.021 nan 8.300 nan 0.000 0.474 161 Q N 0.338 120.181 119.800 0.071 0.000 2.096 161 Q HA -0.240 4.100 4.340 0.001 0.000 0.208 161 Q C 2.480 178.422 176.000 -0.097 0.000 0.993 161 Q CA 2.567 58.349 55.803 -0.036 0.000 0.862 161 Q CB -0.985 27.775 28.738 0.036 0.000 0.915 161 Q HN 0.453 nan 8.270 nan 0.000 0.416 162 S N -1.196 114.484 115.700 -0.032 0.000 2.348 162 S HA -0.149 4.322 4.470 0.001 0.000 0.221 162 S C 2.076 176.609 174.600 -0.113 0.000 1.033 162 S CA 1.551 59.734 58.200 -0.028 0.000 1.010 162 S CB -0.614 62.604 63.200 0.030 0.000 0.891 162 S HN 0.524 nan 8.310 nan 0.000 0.442 163 S N 0.714 116.327 115.700 -0.146 0.000 2.402 163 S HA -0.121 4.349 4.470 0.001 0.000 0.233 163 S C 1.752 176.163 174.600 -0.315 0.000 1.030 163 S CA 1.761 59.844 58.200 -0.195 0.000 1.003 163 S CB -0.357 62.748 63.200 -0.160 0.000 0.813 163 S HN 0.642 nan 8.310 nan 0.000 0.477 164 M N 0.851 120.202 119.600 -0.415 0.000 2.357 164 M HA 0.033 4.514 4.480 0.001 0.000 0.266 164 M C 1.939 178.070 176.300 -0.281 0.000 1.095 164 M CA 1.313 56.352 55.300 -0.436 0.000 1.156 164 M CB -0.740 31.490 32.600 -0.617 0.000 1.365 164 M HN 0.076 nan 8.290 nan 0.000 0.447 165 T N 1.016 115.445 114.554 -0.208 0.000 2.665 165 T HA -0.194 4.156 4.350 0.001 0.000 0.268 165 T C 1.730 176.343 174.700 -0.145 0.000 1.035 165 T CA 2.011 64.032 62.100 -0.131 0.000 1.151 165 T CB -0.241 68.583 68.868 -0.073 0.000 0.862 165 T HN 0.423 nan 8.240 nan 0.000 0.438 166 K N 0.631 120.921 120.400 -0.183 0.000 1.973 166 K HA 0.134 4.454 4.320 0.001 0.000 0.210 166 K C 2.220 178.612 176.600 -0.347 0.000 1.045 166 K CA 1.047 57.205 56.287 -0.215 0.000 0.937 166 K CB -0.396 31.979 32.500 -0.208 0.000 0.721 166 K HN 0.218 nan 8.250 nan 0.000 0.438 167 I N 1.093 121.351 120.570 -0.520 0.000 2.576 167 I HA -0.288 3.883 4.170 0.001 0.000 0.263 167 I C 1.791 177.697 176.117 -0.350 0.000 1.183 167 I CA 0.859 61.679 61.300 -0.800 0.000 1.432 167 I CB -0.101 37.521 38.000 -0.630 0.000 1.100 167 I HN 0.164 nan 8.210 nan 0.000 0.452 168 L N -0.166 120.938 121.223 -0.200 0.000 2.515 168 L HA 0.038 4.378 4.340 0.001 0.000 0.223 168 L C 2.092 178.938 176.870 -0.041 0.000 1.079 168 L CA 1.042 55.833 54.840 -0.082 0.000 0.857 168 L CB -0.367 41.637 42.059 -0.091 0.000 1.050 168 L HN 0.112 nan 8.230 nan 0.000 0.476 169 E N 0.564 120.724 120.200 -0.067 0.000 2.063 169 E HA -0.266 4.084 4.350 0.001 0.000 0.221 169 E C -0.795 175.809 176.600 0.007 0.000 1.052 169 E CA 2.654 59.034 56.400 -0.033 0.000 0.891 169 E CB -1.115 28.557 29.700 -0.047 0.000 0.792 169 E HN 0.255 nan 8.360 nan 0.000 0.482 170 P HA -0.175 nan 4.420 nan 0.000 0.208 170 P C 1.285 178.613 177.300 0.046 0.000 1.189 170 P CA 1.712 64.879 63.100 0.113 0.000 0.931 170 P CB -0.421 31.452 31.700 0.289 0.000 0.783 171 F N 0.885 120.723 119.950 -0.185 0.000 2.127 171 F HA -0.338 4.189 4.527 0.001 0.000 0.299 171 F C 1.920 177.610 175.800 -0.183 0.000 1.068 171 F CA 1.922 59.716 58.000 -0.343 0.000 1.263 171 F CB -0.544 37.924 39.000 -0.886 0.000 1.016 171 F HN -0.174 nan 8.300 nan 0.000 0.491 172 K N 0.121 120.443 120.400 -0.130 0.000 2.002 172 K HA -0.257 4.063 4.320 0.001 0.000 0.209 172 K C 2.140 178.632 176.600 -0.180 0.000 1.048 172 K CA 1.785 57.979 56.287 -0.155 0.000 0.930 172 K CB -0.395 32.084 32.500 -0.034 0.000 0.714 172 K HN 0.219 nan 8.250 nan 0.000 0.438 173 K N 1.243 121.578 120.400 -0.108 0.000 2.089 173 K HA -0.222 4.099 4.320 0.001 0.000 0.210 173 K C 2.085 178.607 176.600 -0.129 0.000 1.048 173 K CA 1.748 57.984 56.287 -0.085 0.000 0.926 173 K CB 0.051 32.529 32.500 -0.036 0.000 0.714 173 K HN 0.085 nan 8.250 nan 0.000 0.448 174 Q N 0.187 119.872 119.800 -0.191 0.000 2.224 174 Q HA -0.063 4.278 4.340 0.001 0.000 0.203 174 Q C 0.039 175.857 176.000 -0.302 0.000 0.970 174 Q CA 1.022 56.691 55.803 -0.223 0.000 0.865 174 Q CB -0.050 28.543 28.738 -0.242 0.000 0.922 174 Q HN 0.404 nan 8.270 nan 0.000 0.445 175 N N 0.938 119.388 118.700 -0.417 0.000 2.791 175 N HA 0.142 4.882 4.740 0.001 0.000 0.265 175 N C -2.157 173.220 175.510 -0.220 0.000 1.580 175 N CA -0.966 51.868 53.050 -0.360 0.000 0.809 175 N CB 1.588 39.727 38.487 -0.579 0.000 1.178 175 N HN 0.002 nan 8.380 nan 0.000 0.499 176 P HA -0.110 nan 4.420 nan 0.000 0.219 176 P C 0.463 177.728 177.300 -0.057 0.000 1.146 176 P CA 1.232 64.282 63.100 -0.084 0.000 0.808 176 P CB 0.533 32.197 31.700 -0.060 0.000 0.779 177 D N -0.909 119.457 120.400 -0.057 0.000 2.347 177 D HA 0.032 4.672 4.640 0.001 0.000 0.215 177 D C 0.950 177.244 176.300 -0.010 0.000 0.976 177 D CA 0.243 54.227 54.000 -0.026 0.000 0.884 177 D CB -0.317 40.471 40.800 -0.020 0.000 0.915 177 D HN 0.184 nan 8.370 nan 0.000 0.526 178 I N 0.605 121.161 120.570 -0.023 0.000 2.713 178 I HA 0.073 4.243 4.170 0.001 0.000 0.300 178 I C -0.341 175.798 176.117 0.036 0.000 1.009 178 I CA -0.845 60.466 61.300 0.018 0.000 1.305 178 I CB 1.433 39.446 38.000 0.022 0.000 1.430 178 I HN -0.226 nan 8.210 nan 0.000 0.546 179 V N 5.723 125.676 119.914 0.064 0.000 2.444 179 V HA 0.620 4.740 4.120 0.001 0.000 0.294 179 V C -0.708 175.449 176.094 0.106 0.000 1.022 179 V CA -0.599 61.741 62.300 0.068 0.000 0.850 179 V CB 1.400 33.247 31.823 0.040 0.000 0.992 179 V HN 0.378 nan 8.190 nan 0.000 0.426 180 I N 5.709 126.347 120.570 0.114 0.000 2.406 180 I HA 0.502 4.672 4.170 0.001 0.000 0.290 180 I C -0.923 175.302 176.117 0.178 0.000 0.999 180 I CA -0.648 60.732 61.300 0.133 0.000 1.124 180 I CB 1.671 39.728 38.000 0.095 0.000 1.289 180 I HN 0.895 nan 8.210 nan 0.000 0.441 181 Y N 6.000 126.346 120.300 0.077 0.000 2.376 181 Y HA 0.438 4.988 4.550 0.000 0.000 0.340 181 Y C -0.529 175.465 175.900 0.156 0.000 0.965 181 Y CA -0.828 57.322 58.100 0.084 0.000 1.078 181 Y CB 1.646 40.112 38.460 0.010 0.000 1.193 181 Y HN 0.599 nan 8.280 nan 0.000 0.452 182 Q N 5.879 125.305 119.800 -0.624 0.000 2.431 182 Q HA 0.275 4.615 4.340 0.001 0.000 0.249 182 Q C -1.930 173.792 176.000 -0.463 0.000 1.025 182 Q CA -0.778 54.788 55.803 -0.396 0.000 0.835 182 Q CB 1.480 30.091 28.738 -0.211 0.000 1.207 182 Q HN 0.735 nan 8.270 nan 0.000 0.490 183 Y N 4.937 125.066 120.300 -0.285 0.000 2.575 183 Y HA 0.368 4.918 4.550 0.000 0.000 0.326 183 Y C -0.061 175.877 175.900 0.063 0.000 0.979 183 Y CA -0.601 57.501 58.100 0.003 0.000 1.286 183 Y CB 0.447 39.169 38.460 0.437 0.000 1.093 183 Y HN 0.938 nan 8.280 nan 0.000 0.501 184 M N 1.040 120.414 119.600 -0.375 0.000 7.319 184 M HA -0.358 4.122 4.480 0.001 0.000 0.123 184 M C -0.140 176.046 176.300 -0.189 0.000 0.480 184 M CA 1.687 56.776 55.300 -0.351 0.000 1.311 184 M CB -0.400 31.900 32.600 -0.501 0.000 0.421 184 M HN 0.523 nan 8.290 nan 0.000 0.166 185 D N 2.290 122.540 120.400 -0.251 0.000 2.886 185 D HA 0.120 4.761 4.640 0.001 0.000 0.226 185 D C -0.867 175.373 176.300 -0.100 0.000 1.117 185 D CA 1.044 54.929 54.000 -0.192 0.000 1.121 185 D CB -0.848 39.826 40.800 -0.209 0.000 1.186 185 D HN 0.265 nan 8.370 nan 0.000 0.440 186 D N 0.168 120.525 120.400 -0.072 0.000 2.878 186 D HA 0.263 4.904 4.640 0.001 0.000 0.211 186 D C -0.701 175.517 176.300 -0.137 0.000 1.271 186 D CA -0.423 53.505 54.000 -0.120 0.000 0.845 186 D CB 1.628 42.394 40.800 -0.057 0.000 1.679 186 D HN -0.034 nan 8.370 nan 0.000 0.536 187 L N 2.717 123.805 121.223 -0.225 0.000 2.343 187 L HA 0.420 4.761 4.340 0.001 0.000 0.278 187 L C -0.950 175.774 176.870 -0.244 0.000 0.996 187 L CA -0.824 53.919 54.840 -0.162 0.000 0.831 187 L CB 1.328 43.325 42.059 -0.104 0.000 1.232 187 L HN 0.300 nan 8.230 nan 0.000 0.413 188 Y N 2.817 123.123 120.300 0.011 0.000 2.341 188 Y HA 0.426 4.977 4.550 0.001 0.000 0.340 188 Y C 0.098 176.037 175.900 0.065 0.000 0.997 188 Y CA -0.596 57.520 58.100 0.026 0.000 1.149 188 Y CB 1.728 40.214 38.460 0.043 0.000 1.171 188 Y HN 0.175 nan 8.280 nan 0.000 0.494 189 V N 3.200 123.240 119.914 0.210 0.000 2.487 189 V HA 0.803 4.923 4.120 0.001 0.000 0.298 189 V C 0.120 176.359 176.094 0.243 0.000 1.028 189 V CA -0.766 61.642 62.300 0.182 0.000 0.860 189 V CB 1.601 33.491 31.823 0.112 0.000 0.991 189 V HN 0.898 nan 8.190 nan 0.000 0.427 190 G N 2.607 111.527 108.800 0.200 0.000 2.617 190 G HA2 0.770 4.730 3.960 0.001 0.000 0.306 190 G HA3 0.770 4.730 3.960 0.001 0.000 0.306 190 G C -0.761 174.243 174.900 0.173 0.000 1.360 190 G CA -0.358 44.857 45.100 0.191 0.000 0.983 190 G HN 0.970 nan 8.290 nan 0.000 0.496 191 S N 0.193 116.013 115.700 0.200 0.000 2.550 191 S HA 0.458 4.928 4.470 0.001 0.000 0.270 191 S C -0.530 174.139 174.600 0.115 0.000 1.145 191 S CA -0.808 57.492 58.200 0.166 0.000 0.852 191 S CB 2.392 65.739 63.200 0.245 0.000 1.119 191 S HN 0.359 nan 8.310 nan 0.000 0.465 192 D N 0.690 121.136 120.400 0.077 0.000 2.348 192 D HA 0.186 4.826 4.640 0.001 0.000 0.211 192 D C 0.507 176.839 176.300 0.053 0.000 0.998 192 D CA 0.313 54.343 54.000 0.050 0.000 0.873 192 D CB 0.048 40.868 40.800 0.032 0.000 0.925 192 D HN 0.468 nan 8.370 nan 0.000 0.524 193 L N 2.184 123.458 121.223 0.084 0.000 2.467 193 L HA 0.028 4.369 4.340 0.001 0.000 0.270 193 L C 1.220 178.142 176.870 0.088 0.000 1.205 193 L CA -0.052 54.841 54.840 0.088 0.000 0.828 193 L CB 0.434 42.559 42.059 0.110 0.000 1.101 193 L HN -0.010 nan 8.230 nan 0.000 0.479 194 E N 2.560 122.799 120.200 0.065 0.000 2.254 194 E HA 0.257 4.607 4.350 0.001 0.000 0.258 194 E C 1.093 177.732 176.600 0.064 0.000 1.033 194 E CA -0.746 55.676 56.400 0.037 0.000 0.893 194 E CB 1.184 30.898 29.700 0.022 0.000 1.204 194 E HN 0.526 nan 8.360 nan 0.000 0.425 195 I N 0.884 121.473 120.570 0.032 0.000 2.972 195 I HA -0.469 3.701 4.170 0.001 0.000 0.209 195 I C 2.159 178.331 176.117 0.093 0.000 0.859 195 I CA 2.703 64.035 61.300 0.054 0.000 1.161 195 I CB -1.051 36.969 38.000 0.034 0.000 0.895 195 I HN 0.838 nan 8.210 nan 0.000 0.355 196 G N -0.586 108.257 108.800 0.071 0.000 2.679 196 G HA2 -0.318 3.643 3.960 0.001 0.000 0.217 196 G HA3 -0.318 3.643 3.960 0.001 0.000 0.217 196 G C 1.299 176.250 174.900 0.086 0.000 1.267 196 G CA 1.225 46.366 45.100 0.068 0.000 0.799 196 G HN 0.568 nan 8.290 nan 0.000 0.606 197 Q N -0.794 119.060 119.800 0.090 0.000 2.403 197 Q HA 0.145 4.486 4.340 0.001 0.000 0.203 197 Q C 1.848 177.914 176.000 0.110 0.000 0.932 197 Q CA 0.455 56.309 55.803 0.084 0.000 0.945 197 Q CB 0.210 28.987 28.738 0.064 0.000 1.045 197 Q HN 0.835 nan 8.270 nan 0.000 0.511 198 H N 0.713 119.813 119.070 0.050 0.000 2.329 198 H HA 0.082 4.638 4.556 0.001 0.000 0.306 198 H C 1.829 177.196 175.328 0.065 0.000 1.062 198 H CA 1.197 57.281 56.048 0.061 0.000 1.364 198 H CB 0.428 30.226 29.762 0.059 0.000 1.409 198 H HN 0.011 nan 8.280 nan 0.000 0.519 199 R N -0.311 120.306 120.500 0.195 0.000 2.091 199 R HA -0.109 4.232 4.340 0.001 0.000 0.238 199 R C 2.149 178.475 176.300 0.043 0.000 1.136 199 R CA 1.860 58.032 56.100 0.119 0.000 0.959 199 R CB -0.702 29.674 30.300 0.127 0.000 0.856 199 R HN 0.346 nan 8.270 nan 0.000 0.437 200 T N 1.454 116.038 114.554 0.050 0.000 2.708 200 T HA -0.148 4.202 4.350 0.001 0.000 0.266 200 T C 1.729 176.446 174.700 0.028 0.000 1.037 200 T CA 1.503 63.627 62.100 0.040 0.000 1.146 200 T CB -0.151 68.745 68.868 0.046 0.000 0.865 200 T HN 0.126 nan 8.240 nan 0.000 0.435 201 K N 0.758 121.162 120.400 0.007 0.000 2.281 201 K HA 0.044 4.365 4.320 0.001 0.000 0.203 201 K C 1.810 178.413 176.600 0.005 0.000 1.046 201 K CA 0.918 57.214 56.287 0.015 0.000 0.938 201 K CB -0.431 32.047 32.500 -0.037 0.000 0.737 201 K HN 0.414 nan 8.250 nan 0.000 0.458 202 I N -0.157 120.372 120.570 -0.068 0.000 2.364 202 I HA -0.149 4.021 4.170 0.001 0.000 0.241 202 I C 1.848 177.940 176.117 -0.041 0.000 1.082 202 I CA 0.441 61.694 61.300 -0.079 0.000 1.401 202 I CB -0.213 37.737 38.000 -0.083 0.000 1.126 202 I HN 0.080 nan 8.210 nan 0.000 0.429 203 E N 0.817 121.012 120.200 -0.008 0.000 2.279 203 E HA -0.325 4.025 4.350 0.001 0.000 0.205 203 E C 1.741 178.347 176.600 0.010 0.000 1.028 203 E CA 1.475 57.879 56.400 0.006 0.000 0.830 203 E CB -0.279 29.435 29.700 0.023 0.000 0.736 203 E HN 0.530 nan 8.360 nan 0.000 0.478 204 E N 0.052 120.270 120.200 0.029 0.000 2.001 204 E HA -0.160 4.190 4.350 0.001 0.000 0.193 204 E C 2.153 178.735 176.600 -0.031 0.000 0.994 204 E CA 0.793 57.241 56.400 0.079 0.000 0.815 204 E CB -0.203 29.617 29.700 0.200 0.000 0.770 204 E HN 0.106 nan 8.360 nan 0.000 0.453 205 L N 1.551 122.623 121.223 -0.252 0.000 2.021 205 L HA -0.259 4.081 4.340 0.001 0.000 0.215 205 L C 2.248 178.956 176.870 -0.269 0.000 1.074 205 L CA 1.867 56.299 54.840 -0.680 0.000 0.760 205 L CB -0.421 41.223 42.059 -0.690 0.000 0.889 205 L HN 0.107 nan 8.230 nan 0.000 0.433 206 R N -1.087 119.331 120.500 -0.138 0.000 2.094 206 R HA -0.215 4.125 4.340 0.001 0.000 0.239 206 R C 2.206 178.494 176.300 -0.021 0.000 1.137 206 R CA 1.778 57.841 56.100 -0.062 0.000 0.943 206 R CB -0.649 29.631 30.300 -0.034 0.000 0.850 206 R HN 0.496 nan 8.270 nan 0.000 0.433 207 Q N -0.190 119.609 119.800 -0.001 0.000 2.061 207 Q HA -0.195 4.145 4.340 0.001 0.000 0.204 207 Q C 2.103 178.130 176.000 0.046 0.000 0.984 207 Q CA 1.432 57.248 55.803 0.022 0.000 0.846 207 Q CB -0.822 27.939 28.738 0.038 0.000 0.902 207 Q HN 0.547 nan 8.270 nan 0.000 0.421 208 H N 0.388 119.441 119.070 -0.029 0.000 2.289 208 H HA -0.136 4.420 4.556 0.001 0.000 0.296 208 H C 1.825 177.218 175.328 0.108 0.000 1.091 208 H CA 1.422 57.494 56.048 0.041 0.000 1.274 208 H CB 0.114 29.837 29.762 -0.065 0.000 1.364 208 H HN 0.099 nan 8.280 nan 0.000 0.490 209 L N 0.615 121.924 121.223 0.143 0.000 2.042 209 L HA -0.187 4.153 4.340 0.001 0.000 0.210 209 L C 2.849 179.772 176.870 0.089 0.000 1.076 209 L CA 0.980 55.886 54.840 0.111 0.000 0.749 209 L CB -1.426 40.647 42.059 0.023 0.000 0.893 209 L HN 0.275 nan 8.230 nan 0.000 0.432 210 L N -0.554 120.691 121.223 0.037 0.000 1.976 210 L HA -0.155 4.186 4.340 0.001 0.000 0.209 210 L C 2.737 179.594 176.870 -0.021 0.000 1.071 210 L CA 1.582 56.429 54.840 0.012 0.000 0.746 210 L CB -0.820 41.236 42.059 -0.004 0.000 0.890 210 L HN 0.223 nan 8.230 nan 0.000 0.432 211 R N -1.114 119.340 120.500 -0.078 0.000 2.198 211 R HA -0.257 4.083 4.340 0.001 0.000 0.258 211 R C 1.356 177.462 176.300 -0.325 0.000 1.173 211 R CA 2.125 58.092 56.100 -0.220 0.000 0.991 211 R CB -0.678 29.447 30.300 -0.292 0.000 0.879 211 R HN 0.508 nan 8.270 nan 0.000 0.460 212 W N -0.647 120.567 121.300 -0.144 0.000 3.223 212 W HA 0.260 4.920 4.660 0.001 0.000 0.389 212 W C 1.213 177.697 176.519 -0.058 0.000 1.118 212 W CA 0.437 57.717 57.345 -0.109 0.000 1.902 212 W CB 0.425 29.801 29.460 -0.139 0.000 1.094 212 W HN 0.358 nan 8.180 nan 0.000 0.666 213 G N -0.068 108.790 108.800 0.096 0.000 2.176 213 G HA2 -0.261 3.699 3.960 0.001 0.000 0.253 213 G HA3 -0.261 3.699 3.960 0.001 0.000 0.253 213 G C -0.102 174.845 174.900 0.079 0.000 0.979 213 G CA -0.335 44.810 45.100 0.074 0.000 0.641 213 G HN 0.032 nan 8.290 nan 0.000 0.530 214 L N 2.356 123.629 121.223 0.083 0.000 2.275 214 L HA 0.543 4.883 4.340 0.001 0.000 0.288 214 L C 1.323 178.215 176.870 0.036 0.000 1.046 214 L CA 0.423 55.301 54.840 0.063 0.000 0.805 214 L CB 0.670 42.763 42.059 0.056 0.000 1.193 214 L HN 0.438 nan 8.230 nan 0.000 0.426 215 T N 0.037 114.609 114.554 0.028 0.000 2.902 215 T HA 0.742 5.092 4.350 0.001 0.000 0.280 215 T C 0.280 174.980 174.700 0.000 0.000 0.992 215 T CA -0.454 61.653 62.100 0.011 0.000 1.015 215 T CB 1.953 70.826 68.868 0.008 0.000 1.044 215 T HN 0.719 nan 8.240 nan 0.000 0.520 216 T N -2.074 112.474 114.554 -0.009 0.000 2.812 216 T HA 0.699 5.049 4.350 0.001 0.000 0.294 216 T C -2.996 171.695 174.700 -0.014 0.000 1.159 216 T CA -1.585 60.505 62.100 -0.015 0.000 1.008 216 T CB 0.785 69.640 68.868 -0.021 0.000 1.289 216 T HN 0.629 nan 8.240 nan 0.000 0.514 217 P HA 0.191 nan 4.420 nan 0.000 0.270 217 P C -0.437 176.880 177.300 0.028 0.000 1.227 217 P CA -0.155 62.956 63.100 0.019 0.000 0.788 217 P CB 0.302 32.037 31.700 0.058 0.000 0.926 218 D N 0.063 120.493 120.400 0.051 0.000 2.371 218 D HA -0.024 4.616 4.640 0.001 0.000 0.242 218 D C 1.240 177.602 176.300 0.104 0.000 1.218 218 D CA -0.217 53.823 54.000 0.066 0.000 0.945 218 D CB 0.943 41.783 40.800 0.067 0.000 1.137 218 D HN 0.143 nan 8.370 nan 0.000 0.464 219 K N 1.379 121.825 120.400 0.077 0.000 2.015 219 K HA -0.214 4.106 4.320 0.001 0.000 0.216 219 K C 0.902 177.554 176.600 0.086 0.000 1.052 219 K CA 1.944 58.273 56.287 0.070 0.000 0.937 219 K CB -0.127 32.407 32.500 0.056 0.000 0.719 219 K HN 0.180 nan 8.250 nan 0.000 0.446 220 K N -0.285 120.174 120.400 0.098 0.000 2.577 220 K HA 0.130 4.450 4.320 0.001 0.000 0.210 220 K C -0.040 176.605 176.600 0.075 0.000 1.048 220 K CA 0.129 56.462 56.287 0.077 0.000 1.188 220 K CB 0.267 32.801 32.500 0.058 0.000 0.910 220 K HN 0.184 nan 8.250 nan 0.000 0.483 221 H N 0.873 119.960 119.070 0.030 0.000 2.551 221 H HA 0.325 4.881 4.556 0.001 0.000 0.238 221 H C -0.503 174.839 175.328 0.023 0.000 1.345 221 H CA 0.046 56.109 56.048 0.025 0.000 1.105 221 H CB 0.230 30.003 29.762 0.019 0.000 1.805 221 H HN 0.277 nan 8.280 nan 0.000 0.553 222 Q N 0.213 120.062 119.800 0.083 0.000 3.158 222 Q HA 0.463 4.804 4.340 0.001 0.000 0.235 222 Q C -0.788 175.247 176.000 0.058 0.000 1.110 222 Q CA -0.805 55.042 55.803 0.074 0.000 0.546 222 Q CB 2.124 30.906 28.738 0.073 0.000 4.477 222 Q HN 0.089 nan 8.270 nan 0.000 0.307 223 K N 0.394 120.843 120.400 0.082 0.000 2.562 223 K HA 0.261 4.581 4.320 0.001 0.000 0.267 223 K C -2.022 174.739 176.600 0.269 0.000 0.938 223 K CA -0.323 56.043 56.287 0.132 0.000 0.840 223 K CB 1.951 34.497 32.500 0.077 0.000 1.390 223 K HN 0.563 nan 8.250 nan 0.000 0.428 224 E N 2.976 123.382 120.200 0.343 0.000 2.367 224 E HA 0.509 4.859 4.350 0.001 0.000 0.273 224 E C -2.795 173.917 176.600 0.187 0.000 0.903 224 E CA -2.428 54.179 56.400 0.345 0.000 0.764 224 E CB 2.174 31.957 29.700 0.138 0.000 1.252 224 E HN 0.278 nan 8.360 nan 0.000 0.446 225 P HA 0.120 nan 4.420 nan 0.000 0.270 225 P C -2.141 174.944 177.300 -0.359 0.000 1.223 225 P CA -0.861 61.667 63.100 -0.952 0.000 0.785 225 P CB -0.438 30.611 31.700 -1.084 0.000 0.923 226 P HA 0.193 nan 4.420 nan 0.000 0.270 226 P C -0.800 176.373 177.300 -0.213 0.000 1.223 226 P CA 0.338 63.087 63.100 -0.585 0.000 0.785 226 P CB 0.283 31.745 31.700 -0.396 0.000 0.923 227 F N -0.338 119.604 119.950 -0.014 0.000 2.575 227 F HA 0.447 4.974 4.527 0.001 0.000 0.330 227 F C 0.301 176.209 175.800 0.179 0.000 1.056 227 F CA -1.256 56.819 58.000 0.125 0.000 0.964 227 F CB 0.726 39.839 39.000 0.188 0.000 1.258 227 F HN -0.015 nan 8.300 nan 0.000 0.484 228 L N 0.804 122.297 121.223 0.450 0.000 2.346 228 L HA 0.441 4.781 4.340 0.001 0.000 0.276 228 L C -1.489 175.654 176.870 0.456 0.000 1.006 228 L CA -0.665 54.394 54.840 0.365 0.000 0.817 228 L CB 1.508 43.711 42.059 0.240 0.000 1.272 228 L HN 0.902 nan 8.230 nan 0.000 0.421 229 W N 5.882 127.287 121.300 0.174 0.000 4.117 229 W HA 0.318 4.978 4.660 0.001 0.000 0.297 229 W C -0.109 176.478 176.519 0.114 0.000 1.208 229 W CA -0.534 56.879 57.345 0.114 0.000 1.327 229 W CB 0.725 30.223 29.460 0.064 0.000 1.178 229 W HN 0.484 nan 8.180 nan 0.000 0.457 230 M N 4.831 124.071 119.600 -0.601 0.000 2.545 230 M HA -0.236 4.245 4.480 0.001 0.000 0.192 230 M C 1.170 177.232 176.300 -0.397 0.000 0.512 230 M CA 2.207 57.118 55.300 -0.648 0.000 0.508 230 M CB -2.292 29.630 32.600 -1.130 0.000 1.844 230 M HN 1.635 nan 8.290 nan 0.000 0.756 231 G N -1.921 106.732 108.800 -0.244 0.000 2.176 231 G HA2 -0.264 3.696 3.960 0.001 0.000 0.232 231 G HA3 -0.264 3.696 3.960 0.001 0.000 0.232 231 G C -0.298 174.612 174.900 0.017 0.000 0.986 231 G CA 0.199 45.135 45.100 -0.272 0.000 0.643 231 G HN 0.532 nan 8.290 nan 0.000 0.522 232 Y N 0.169 120.696 120.300 0.380 0.000 2.534 232 Y HA 0.713 5.263 4.550 0.001 0.000 0.329 232 Y C 0.607 176.725 175.900 0.364 0.000 1.154 232 Y CA -1.070 57.290 58.100 0.433 0.000 1.192 232 Y CB 1.274 39.990 38.460 0.427 0.000 1.275 232 Y HN 0.098 nan 8.280 nan 0.000 0.491 233 E N 2.067 122.588 120.200 0.535 0.000 2.155 233 E HA 0.456 4.807 4.350 0.001 0.000 0.264 233 E C -1.725 175.099 176.600 0.373 0.000 0.886 233 E CA -0.440 56.185 56.400 0.375 0.000 0.752 233 E CB 0.782 30.666 29.700 0.307 0.000 1.133 233 E HN 0.537 nan 8.360 nan 0.000 0.414 234 L N 5.580 126.946 121.223 0.238 0.000 2.318 234 L HA 0.406 4.746 4.340 0.001 0.000 0.277 234 L C 0.007 176.826 176.870 -0.085 0.000 1.008 234 L CA -0.701 54.268 54.840 0.215 0.000 0.846 234 L CB 0.724 42.921 42.059 0.230 0.000 1.220 234 L HN 0.473 nan 8.230 nan 0.000 0.423 235 H N 3.907 123.060 119.070 0.139 0.000 2.495 235 H HA 0.219 4.776 4.556 0.001 0.000 0.350 235 H C -1.592 173.829 175.328 0.156 0.000 1.202 235 H CA -1.739 54.329 56.048 0.034 0.000 1.322 235 H CB 1.653 31.435 29.762 0.034 0.000 1.544 235 H HN 0.363 nan 8.280 nan 0.000 0.565 236 P HA -0.082 nan 4.420 nan 0.000 0.242 236 P C 0.304 177.794 177.300 0.317 0.000 1.197 236 P CA 0.991 64.199 63.100 0.181 0.000 0.765 236 P CB 0.409 32.149 31.700 0.066 0.000 0.936 237 D N -1.101 119.517 120.400 0.363 0.000 2.434 237 D HA 0.021 4.661 4.640 0.001 0.000 0.288 237 D C 0.760 177.067 176.300 0.013 0.000 1.083 237 D CA 0.467 54.633 54.000 0.277 0.000 0.903 237 D CB 0.197 41.043 40.800 0.078 0.000 1.476 237 D HN 0.255 nan 8.370 nan 0.000 0.502 238 K N -0.576 119.785 120.400 -0.066 0.000 2.279 238 K HA 0.650 4.970 4.320 0.001 0.000 0.238 238 K C -0.691 175.907 176.600 -0.004 0.000 1.084 238 K CA -1.094 55.010 56.287 -0.305 0.000 0.885 238 K CB 2.205 34.552 32.500 -0.256 0.000 1.319 238 K HN 0.255 nan 8.250 nan 0.000 0.494 239 W N -0.759 120.509 121.300 -0.053 0.000 3.275 239 W HA 0.517 5.177 4.660 0.000 0.000 0.306 239 W C -2.009 174.561 176.519 0.085 0.000 1.259 239 W CA -0.654 56.768 57.345 0.129 0.000 1.194 239 W CB 1.041 30.555 29.460 0.090 0.000 1.375 239 W HN 0.644 nan 8.180 nan 0.000 0.564 240 T N 1.186 115.887 114.554 0.244 0.000 2.731 240 T HA 0.471 4.821 4.350 0.001 0.000 0.300 240 T C -0.246 174.731 174.700 0.461 0.000 1.283 240 T CA -0.486 61.535 62.100 -0.132 0.000 1.005 240 T CB 1.541 70.126 68.868 -0.471 0.000 1.420 240 T HN 0.596 nan 8.240 nan 0.000 0.503 241 V N 0.376 120.485 119.914 0.326 0.000 2.834 241 V HA 0.482 4.603 4.120 0.001 0.000 0.301 241 V C 0.271 176.557 176.094 0.320 0.000 1.066 241 V CA -0.964 61.584 62.300 0.413 0.000 1.052 241 V CB 0.245 32.260 31.823 0.320 0.000 1.021 241 V HN 0.813 nan 8.190 nan 0.000 0.480 242 Q N 1.708 121.695 119.800 0.312 0.000 2.432 242 Q HA 0.238 4.578 4.340 0.001 0.000 0.264 242 Q C -2.242 173.850 176.000 0.154 0.000 1.035 242 Q CA -1.429 54.498 55.803 0.207 0.000 0.908 242 Q CB -0.392 28.433 28.738 0.146 0.000 1.280 242 Q HN 0.562 nan 8.270 nan 0.000 0.455 243 P HA -0.153 nan 4.420 nan 0.000 0.257 243 P C -0.936 176.399 177.300 0.058 0.000 1.144 243 P CA 0.765 63.915 63.100 0.085 0.000 0.761 243 P CB 0.081 31.826 31.700 0.075 0.000 0.734 244 I N 5.647 126.238 120.570 0.035 0.000 2.420 244 I HA 0.345 4.516 4.170 0.001 0.000 0.282 244 I C -1.070 175.046 176.117 -0.002 0.000 1.019 244 I CA -0.853 60.453 61.300 0.011 0.000 1.130 244 I CB 1.441 39.437 38.000 -0.007 0.000 1.262 244 I HN 0.057 nan 8.210 nan 0.000 0.454 245 V N 8.218 128.138 119.914 0.009 0.000 2.532 245 V HA 0.589 4.709 4.120 0.001 0.000 0.295 245 V C -0.630 175.481 176.094 0.028 0.000 1.041 245 V CA -0.649 61.659 62.300 0.013 0.000 0.926 245 V CB 1.784 33.615 31.823 0.013 0.000 0.992 245 V HN 0.634 nan 8.190 nan 0.000 0.457 246 L N 7.182 128.428 121.223 0.039 0.000 2.408 246 L HA 0.495 4.836 4.340 0.001 0.000 0.257 246 L C -2.390 174.517 176.870 0.060 0.000 1.053 246 L CA -1.662 53.227 54.840 0.082 0.000 0.922 246 L CB 0.938 43.068 42.059 0.119 0.000 1.261 246 L HN 0.467 nan 8.230 nan 0.000 0.458 247 P HA 0.041 nan 4.420 nan 0.000 0.265 247 P C -0.019 177.256 177.300 -0.043 0.000 1.193 247 P CA -0.126 62.960 63.100 -0.023 0.000 0.765 247 P CB 0.662 32.328 31.700 -0.057 0.000 0.823 248 E N 3.138 123.319 120.200 -0.032 0.000 2.415 248 E HA 0.149 4.500 4.350 0.001 0.000 0.262 248 E C -0.445 176.076 176.600 -0.132 0.000 1.038 248 E CA 0.545 56.929 56.400 -0.027 0.000 0.921 248 E CB 0.269 29.965 29.700 -0.006 0.000 0.950 248 E HN 0.219 nan 8.360 nan 0.000 0.438 249 K N 2.979 123.287 120.400 -0.153 0.000 2.578 249 K HA 0.170 4.490 4.320 0.001 0.000 0.269 249 K C -0.673 175.812 176.600 -0.192 0.000 0.941 249 K CA -0.674 55.419 56.287 -0.323 0.000 0.847 249 K CB 1.357 33.393 32.500 -0.774 0.000 1.397 249 K HN 0.348 nan 8.250 nan 0.000 0.422 250 D N 0.423 120.728 120.400 -0.159 0.000 2.262 250 D HA 0.033 4.673 4.640 0.001 0.000 0.212 250 D C -0.123 176.173 176.300 -0.007 0.000 0.964 250 D CA 0.998 54.982 54.000 -0.026 0.000 0.875 250 D CB 0.581 41.370 40.800 -0.019 0.000 0.996 250 D HN 0.246 nan 8.370 nan 0.000 0.497 251 S N 0.296 115.908 115.700 -0.146 0.000 2.454 251 S HA 0.396 4.866 4.470 0.001 0.000 0.306 251 S C -1.067 173.405 174.600 -0.214 0.000 1.100 251 S CA -0.707 57.453 58.200 -0.066 0.000 1.087 251 S CB 1.218 64.388 63.200 -0.050 0.000 1.019 251 S HN 0.081 nan 8.310 nan 0.000 0.480 252 W N 2.112 123.406 121.300 -0.009 0.000 2.471 252 W HA 0.400 5.061 4.660 0.000 0.000 0.318 252 W C 0.598 177.112 176.519 -0.010 0.000 1.034 252 W CA -0.801 56.538 57.345 -0.010 0.000 1.224 252 W CB 0.680 30.134 29.460 -0.011 0.000 1.335 252 W HN 0.605 nan 8.180 nan 0.000 0.452 253 T N -1.406 113.248 114.554 0.167 0.000 2.898 253 T HA 0.117 4.467 4.350 0.001 0.000 0.301 253 T C 1.103 175.880 174.700 0.128 0.000 1.049 253 T CA -0.702 61.464 62.100 0.110 0.000 1.095 253 T CB 1.137 70.039 68.868 0.055 0.000 0.976 253 T HN 0.273 nan 8.240 nan 0.000 0.539 254 V N 1.889 121.851 119.914 0.080 0.000 2.317 254 V HA -0.290 3.830 4.120 0.001 0.000 0.251 254 V C 2.910 179.041 176.094 0.062 0.000 1.065 254 V CA 2.359 64.695 62.300 0.059 0.000 1.049 254 V CB -1.210 30.634 31.823 0.035 0.000 0.651 254 V HN 1.045 nan 8.190 nan 0.000 0.450 255 N N 0.215 118.949 118.700 0.057 0.000 2.007 255 N HA -0.262 4.479 4.740 0.001 0.000 0.197 255 N C 1.601 177.163 175.510 0.087 0.000 1.050 255 N CA 2.296 55.378 53.050 0.052 0.000 0.856 255 N CB -0.298 38.210 38.487 0.035 0.000 1.050 255 N HN 0.469 nan 8.380 nan 0.000 0.423 256 D N 0.994 121.470 120.400 0.127 0.000 2.268 256 D HA -0.230 4.410 4.640 0.001 0.000 0.189 256 D C 1.876 178.342 176.300 0.277 0.000 1.010 256 D CA 1.678 55.813 54.000 0.225 0.000 0.862 256 D CB -0.554 40.449 40.800 0.339 0.000 0.943 256 D HN 0.607 nan 8.370 nan 0.000 0.451 257 I N -0.462 120.242 120.570 0.223 0.000 2.353 257 I HA -0.230 3.940 4.170 0.001 0.000 0.248 257 I C 2.006 178.139 176.117 0.026 0.000 1.119 257 I CA 0.967 62.309 61.300 0.070 0.000 1.417 257 I CB -0.085 37.890 38.000 -0.041 0.000 1.078 257 I HN -0.004 nan 8.210 nan 0.000 0.421 258 Q N 1.236 121.058 119.800 0.037 0.000 2.014 258 Q HA -0.293 4.047 4.340 0.001 0.000 0.207 258 Q C 2.262 178.276 176.000 0.022 0.000 0.993 258 Q CA 2.380 58.195 55.803 0.019 0.000 0.850 258 Q CB -0.263 28.486 28.738 0.018 0.000 0.916 258 Q HN 0.529 nan 8.270 nan 0.000 0.417 259 K N 0.579 121.002 120.400 0.039 0.000 2.074 259 K HA -0.165 4.155 4.320 0.001 0.000 0.209 259 K C 2.109 178.735 176.600 0.042 0.000 1.048 259 K CA 1.055 57.362 56.287 0.034 0.000 0.926 259 K CB -0.271 32.255 32.500 0.044 0.000 0.713 259 K HN 0.203 nan 8.250 nan 0.000 0.444 260 L N 0.757 122.021 121.223 0.067 0.000 1.955 260 L HA -0.248 4.092 4.340 0.001 0.000 0.213 260 L C 2.154 179.025 176.870 0.001 0.000 1.072 260 L CA 1.575 56.441 54.840 0.043 0.000 0.755 260 L CB -0.438 41.617 42.059 -0.007 0.000 0.888 260 L HN 0.037 nan 8.230 nan 0.000 0.432 261 V N 0.493 120.396 119.914 -0.018 0.000 2.278 261 V HA -0.325 3.795 4.120 0.001 0.000 0.251 261 V C 2.650 178.754 176.094 0.016 0.000 1.062 261 V CA 2.085 64.377 62.300 -0.014 0.000 1.038 261 V CB -1.574 30.238 31.823 -0.018 0.000 0.646 261 V HN 0.732 nan 8.190 nan 0.000 0.447 262 G N -0.060 108.752 108.800 0.020 0.000 2.545 262 G HA2 -0.276 3.684 3.960 0.001 0.000 0.217 262 G HA3 -0.276 3.684 3.960 0.001 0.000 0.217 262 G C 1.561 176.498 174.900 0.061 0.000 1.218 262 G CA 0.940 46.059 45.100 0.032 0.000 0.787 262 G HN 0.393 nan 8.290 nan 0.000 0.571 263 K N -0.093 120.331 120.400 0.039 0.000 2.173 263 K HA -0.049 4.271 4.320 0.001 0.000 0.207 263 K C 2.359 179.019 176.600 0.100 0.000 1.046 263 K CA 0.595 56.917 56.287 0.058 0.000 0.929 263 K CB -0.681 31.836 32.500 0.029 0.000 0.720 263 K HN 0.277 nan 8.250 nan 0.000 0.453 264 L N 1.450 122.709 121.223 0.059 0.000 2.095 264 L HA -0.040 4.300 4.340 0.001 0.000 0.204 264 L C 1.604 178.517 176.870 0.072 0.000 1.080 264 L CA 1.441 56.301 54.840 0.034 0.000 0.759 264 L CB -1.005 41.052 42.059 -0.004 0.000 0.914 264 L HN 0.110 nan 8.230 nan 0.000 0.439 265 N N -1.342 117.415 118.700 0.096 0.000 2.272 265 N HA -0.259 4.481 4.740 0.001 0.000 0.185 265 N C 1.561 177.179 175.510 0.180 0.000 1.014 265 N CA 0.879 53.999 53.050 0.117 0.000 0.870 265 N CB -0.268 38.286 38.487 0.112 0.000 0.975 265 N HN 0.501 nan 8.380 nan 0.000 0.433 266 W N 1.163 122.473 121.300 0.016 0.000 2.443 266 W HA 0.055 4.715 4.660 0.000 0.000 0.296 266 W C 1.641 178.206 176.519 0.076 0.000 1.202 266 W CA 1.126 58.488 57.345 0.028 0.000 1.312 266 W CB -0.103 29.341 29.460 -0.027 0.000 1.120 266 W HN 0.038 nan 8.180 nan 0.000 0.536 267 A N 0.578 123.471 122.820 0.120 0.000 2.172 267 A HA -0.175 4.146 4.320 0.001 0.000 0.216 267 A C 1.917 179.569 177.584 0.114 0.000 1.154 267 A CA 1.812 53.886 52.037 0.062 0.000 0.701 267 A CB -1.015 17.932 19.000 -0.089 0.000 0.789 267 A HN 0.324 nan 8.150 nan 0.000 0.465 268 S N -0.524 115.209 115.700 0.054 0.000 2.607 268 S HA -0.107 4.364 4.470 0.001 0.000 0.224 268 S C 1.502 176.116 174.600 0.022 0.000 0.969 268 S CA 0.765 58.999 58.200 0.056 0.000 0.927 268 S CB -0.426 62.800 63.200 0.043 0.000 0.772 268 S HN 0.701 nan 8.310 nan 0.000 0.533 269 Q N -0.373 119.433 119.800 0.010 0.000 2.291 269 Q HA 0.135 4.476 4.340 0.001 0.000 0.205 269 Q C 1.375 177.452 176.000 0.129 0.000 0.970 269 Q CA 1.035 56.887 55.803 0.081 0.000 0.876 269 Q CB -0.096 28.733 28.738 0.150 0.000 0.935 269 Q HN 0.622 nan 8.270 nan 0.000 0.455 270 I N -2.341 118.254 120.570 0.041 0.000 4.916 270 I HA 0.079 4.250 4.170 0.001 0.000 0.335 270 I C -0.857 175.106 176.117 -0.255 0.000 1.274 270 I CA -0.236 60.970 61.300 -0.157 0.000 1.365 270 I CB 0.942 38.683 38.000 -0.431 0.000 1.395 270 I HN -0.105 nan 8.210 nan 0.000 0.485 271 Y N 4.850 125.089 120.300 -0.103 0.000 2.404 271 Y HA 0.475 5.025 4.550 0.001 0.000 0.344 271 Y C -2.111 173.746 175.900 -0.071 0.000 0.970 271 Y CA -2.465 55.584 58.100 -0.086 0.000 1.180 271 Y CB 0.467 38.887 38.460 -0.066 0.000 1.138 271 Y HN 0.051 nan 8.280 nan 0.000 0.510 272 P HA 0.233 nan 4.420 nan 0.000 0.286 272 P C 0.222 177.533 177.300 0.019 0.000 1.269 272 P CA -0.036 63.061 63.100 -0.005 0.000 0.787 272 P CB 1.471 33.144 31.700 -0.045 0.000 0.920 273 G N 3.315 112.124 108.800 0.015 0.000 2.467 273 G HA2 -0.142 3.818 3.960 0.001 0.000 0.242 273 G HA3 -0.142 3.818 3.960 0.001 0.000 0.242 273 G C -0.377 174.532 174.900 0.014 0.000 1.127 273 G CA -0.604 44.501 45.100 0.008 0.000 0.924 273 G HN 0.523 nan 8.290 nan 0.000 0.499 274 I N 0.563 121.145 120.570 0.019 0.000 2.405 274 I HA 0.276 4.446 4.170 0.001 0.000 0.280 274 I C 0.147 176.266 176.117 0.003 0.000 1.027 274 I CA -0.780 60.525 61.300 0.008 0.000 1.161 274 I CB 1.249 39.258 38.000 0.015 0.000 1.300 274 I HN 0.007 nan 8.210 nan 0.000 0.463 275 K N 4.132 124.525 120.400 -0.012 0.000 2.144 275 K HA 0.352 4.673 4.320 0.001 0.000 0.270 275 K C 0.495 177.079 176.600 -0.028 0.000 1.005 275 K CA -0.265 56.012 56.287 -0.017 0.000 0.932 275 K CB 1.715 34.197 32.500 -0.029 0.000 1.021 275 K HN 0.469 nan 8.250 nan 0.000 0.462 276 V N -0.041 119.858 119.914 -0.024 0.000 3.265 276 V HA 0.284 4.404 4.120 0.001 0.000 0.346 276 V C 1.085 177.157 176.094 -0.038 0.000 1.447 276 V CA -0.237 62.041 62.300 -0.037 0.000 1.179 276 V CB 0.252 32.061 31.823 -0.023 0.000 1.103 276 V HN 0.748 nan 8.190 nan 0.000 0.530 277 R N -0.069 120.410 120.500 -0.035 0.000 2.062 277 R HA 0.062 4.402 4.340 0.001 0.000 0.226 277 R C 1.936 178.210 176.300 -0.044 0.000 1.125 277 R CA 1.520 57.600 56.100 -0.033 0.000 0.966 277 R CB 0.088 30.370 30.300 -0.031 0.000 0.861 277 R HN 0.520 nan 8.270 nan 0.000 0.433 278 Q N 0.319 120.087 119.800 -0.053 0.000 2.482 278 Q HA -0.016 4.325 4.340 0.001 0.000 0.209 278 Q C 1.715 177.669 176.000 -0.077 0.000 0.961 278 Q CA 0.643 56.410 55.803 -0.060 0.000 0.945 278 Q CB 0.374 29.075 28.738 -0.062 0.000 1.012 278 Q HN 0.403 nan 8.270 nan 0.000 0.515 279 L N -1.564 119.609 121.223 -0.083 0.000 2.416 279 L HA -0.009 4.331 4.340 0.001 0.000 0.216 279 L C 1.953 178.777 176.870 -0.077 0.000 1.098 279 L CA 0.132 54.909 54.840 -0.106 0.000 0.840 279 L CB 0.152 42.135 42.059 -0.128 0.000 0.981 279 L HN 0.154 nan 8.230 nan 0.000 0.462 280 C N -0.586 118.681 119.300 -0.055 0.000 2.485 280 C HA -0.044 4.416 4.460 0.001 0.000 0.278 280 C C 2.646 177.615 174.990 -0.035 0.000 1.356 280 C CA 0.018 59.013 59.018 -0.039 0.000 1.747 280 C CB -0.299 27.424 27.740 -0.028 0.000 2.001 280 C HN 0.397 nan 8.230 nan 0.000 0.501 281 K N 1.161 121.538 120.400 -0.038 0.000 2.001 281 K HA -0.223 4.097 4.320 0.001 0.000 0.223 281 K C 1.760 178.340 176.600 -0.033 0.000 1.055 281 K CA 1.617 57.884 56.287 -0.034 0.000 0.965 281 K CB -0.612 31.866 32.500 -0.037 0.000 0.730 281 K HN 0.449 nan 8.250 nan 0.000 0.449 282 L N 0.888 122.084 121.223 -0.044 0.000 2.230 282 L HA -0.227 4.114 4.340 0.001 0.000 0.217 282 L C 1.717 178.569 176.870 -0.029 0.000 1.090 282 L CA 0.949 55.764 54.840 -0.042 0.000 0.771 282 L CB -0.522 41.498 42.059 -0.066 0.000 0.892 282 L HN 0.274 nan 8.230 nan 0.000 0.438 283 L N 0.104 121.310 121.223 -0.028 0.000 2.862 283 L HA 0.107 4.447 4.340 0.001 0.000 0.240 283 L C 0.852 177.714 176.870 -0.013 0.000 1.283 283 L CA -0.065 54.765 54.840 -0.017 0.000 1.117 283 L CB -0.335 41.714 42.059 -0.018 0.000 1.444 283 L HN 0.144 nan 8.230 nan 0.000 0.456 284 R N 0.913 121.405 120.500 -0.013 0.000 2.265 284 R HA 0.559 4.899 4.340 0.001 0.000 0.319 284 R C 0.013 176.310 176.300 -0.006 0.000 1.006 284 R CA 0.365 56.459 56.100 -0.010 0.000 0.880 284 R CB 1.327 31.620 30.300 -0.012 0.000 1.077 284 R HN 0.314 nan 8.270 nan 0.000 0.454 285 G N 1.351 110.148 108.800 -0.004 0.000 2.570 285 G HA2 -0.219 3.742 3.960 0.001 0.000 0.686 285 G HA3 -0.219 3.742 3.960 0.001 0.000 0.686 285 G C -0.154 174.745 174.900 -0.000 0.000 1.257 285 G CA -0.745 44.354 45.100 -0.002 0.000 0.846 285 G HN 0.449 nan 8.290 nan 0.000 0.627 286 T N 2.532 117.086 114.554 0.001 0.000 3.928 286 T HA 0.101 4.451 4.350 0.001 0.000 0.247 286 T C 1.279 175.981 174.700 0.003 0.000 0.955 286 T CA 0.787 62.888 62.100 0.002 0.000 0.935 286 T CB -0.577 68.292 68.868 0.002 0.000 1.180 286 T HN 0.480 nan 8.240 nan 0.000 0.660 287 K N 1.233 121.635 120.400 0.004 0.000 2.397 287 K HA 0.260 4.581 4.320 0.001 0.000 0.265 287 K C 0.475 177.080 176.600 0.007 0.000 0.982 287 K CA -0.074 56.217 56.287 0.006 0.000 0.931 287 K CB 0.451 32.955 32.500 0.008 0.000 0.943 287 K HN 0.202 nan 8.250 nan 0.000 0.501 288 A N 3.484 126.310 122.820 0.009 0.000 3.219 288 A HA 0.237 4.557 4.320 0.001 0.000 0.314 288 A C 1.109 178.700 177.584 0.011 0.000 1.081 288 A CA -0.497 51.546 52.037 0.009 0.000 0.995 288 A CB -0.909 18.096 19.000 0.007 0.000 1.067 288 A HN 0.898 nan 8.150 nan 0.000 0.533 289 L N -1.801 119.430 121.223 0.014 0.000 3.393 289 L HA -0.438 3.903 4.340 0.001 0.000 0.153 289 L C 1.900 178.783 176.870 0.022 0.000 4.462 289 L CA 2.703 57.553 54.840 0.017 0.000 0.417 289 L CB -2.621 39.445 42.059 0.012 0.000 3.559 289 L HN 0.484 nan 8.230 nan 0.000 0.598 290 T N -2.500 112.063 114.554 0.015 0.000 3.035 290 T HA 0.076 4.426 4.350 0.001 0.000 0.268 290 T C 0.715 175.426 174.700 0.019 0.000 1.109 290 T CA 0.899 63.007 62.100 0.014 0.000 1.119 290 T CB -0.567 68.305 68.868 0.007 0.000 0.900 290 T HN 0.577 nan 8.240 nan 0.000 0.503 291 E N 1.177 121.390 120.200 0.022 0.000 2.452 291 E HA 0.206 4.556 4.350 0.001 0.000 0.261 291 E C -0.629 175.995 176.600 0.039 0.000 0.987 291 E CA -0.275 56.140 56.400 0.025 0.000 0.926 291 E CB 0.793 30.506 29.700 0.022 0.000 0.934 291 E HN 0.096 nan 8.360 nan 0.000 0.452 292 V N 5.350 125.288 119.914 0.039 0.000 2.546 292 V HA 0.213 4.333 4.120 0.001 0.000 0.284 292 V C 0.245 176.375 176.094 0.061 0.000 1.050 292 V CA -0.078 62.258 62.300 0.059 0.000 0.981 292 V CB 0.792 32.643 31.823 0.047 0.000 0.990 292 V HN 0.475 nan 8.190 nan 0.000 0.474 293 I N 6.705 127.326 120.570 0.085 0.000 2.406 293 I HA 0.394 4.564 4.170 0.001 0.000 0.290 293 I C -2.190 173.968 176.117 0.069 0.000 0.999 293 I CA -1.942 59.394 61.300 0.060 0.000 1.124 293 I CB 2.037 40.060 38.000 0.039 0.000 1.289 293 I HN 0.462 nan 8.210 nan 0.000 0.441 294 P HA 0.022 nan 4.420 nan 0.000 0.269 294 P C -0.585 176.722 177.300 0.013 0.000 1.211 294 P CA -0.339 62.784 63.100 0.039 0.000 0.781 294 P CB 0.597 32.311 31.700 0.022 0.000 0.877 295 L N 2.179 123.405 121.223 0.006 0.000 2.589 295 L HA 0.185 4.526 4.340 0.001 0.000 0.244 295 L C 0.307 177.152 176.870 -0.042 0.000 1.159 295 L CA -0.180 54.633 54.840 -0.045 0.000 1.074 295 L CB -0.913 41.115 42.059 -0.052 0.000 1.391 295 L HN 0.433 nan 8.230 nan 0.000 0.423 296 T N -1.720 112.811 114.554 -0.039 0.000 2.777 296 T HA -0.145 4.205 4.350 0.001 0.000 0.273 296 T C 1.337 176.015 174.700 -0.038 0.000 1.016 296 T CA 0.949 63.029 62.100 -0.032 0.000 1.156 296 T CB 0.268 69.116 68.868 -0.034 0.000 1.019 296 T HN 0.744 nan 8.240 nan 0.000 0.503 297 E N 2.845 123.029 120.200 -0.027 0.000 2.340 297 E HA -0.434 3.916 4.350 0.001 0.000 0.246 297 E C 1.632 178.209 176.600 -0.038 0.000 1.077 297 E CA 2.750 59.134 56.400 -0.027 0.000 1.060 297 E CB -0.492 29.196 29.700 -0.021 0.000 0.935 297 E HN 0.928 nan 8.360 nan 0.000 0.495 298 E N 0.508 120.685 120.200 -0.040 0.000 2.164 298 E HA -0.358 3.993 4.350 0.001 0.000 0.233 298 E C 1.927 178.491 176.600 -0.060 0.000 1.073 298 E CA 2.034 58.406 56.400 -0.047 0.000 0.941 298 E CB -0.987 28.685 29.700 -0.047 0.000 0.820 298 E HN 0.542 nan 8.360 nan 0.000 0.486 299 A N 0.869 123.644 122.820 -0.076 0.000 1.870 299 A HA -0.427 3.894 4.320 0.001 0.000 0.219 299 A C 2.089 179.610 177.584 -0.106 0.000 1.286 299 A CA 2.805 54.776 52.037 -0.110 0.000 0.682 299 A CB -1.272 17.643 19.000 -0.141 0.000 0.844 299 A HN 0.414 nan 8.150 nan 0.000 0.460 300 E N -0.314 119.834 120.200 -0.088 0.000 2.082 300 E HA -0.266 4.085 4.350 0.001 0.000 0.215 300 E C 1.976 178.547 176.600 -0.048 0.000 1.048 300 E CA 1.663 58.027 56.400 -0.060 0.000 0.869 300 E CB -0.484 29.200 29.700 -0.027 0.000 0.773 300 E HN 0.465 nan 8.360 nan 0.000 0.466 301 L N 1.043 122.242 121.223 -0.040 0.000 1.991 301 L HA -0.301 4.039 4.340 0.001 0.000 0.221 301 L C 2.406 179.252 176.870 -0.041 0.000 1.079 301 L CA 2.113 56.932 54.840 -0.034 0.000 0.778 301 L CB -1.342 40.697 42.059 -0.033 0.000 0.893 301 L HN 0.292 nan 8.230 nan 0.000 0.437 302 E N -0.255 119.913 120.200 -0.054 0.000 1.998 302 E HA -0.325 4.025 4.350 0.001 0.000 0.221 302 E C 2.078 178.641 176.600 -0.062 0.000 1.018 302 E CA 2.017 58.381 56.400 -0.060 0.000 0.891 302 E CB -0.345 29.308 29.700 -0.078 0.000 0.807 302 E HN 0.227 nan 8.360 nan 0.000 0.523 303 L N 0.455 121.625 121.223 -0.088 0.000 2.223 303 L HA -0.390 3.950 4.340 0.001 0.000 0.230 303 L C 2.027 178.872 176.870 -0.041 0.000 1.110 303 L CA 2.931 57.721 54.840 -0.083 0.000 0.834 303 L CB -0.999 40.994 42.059 -0.110 0.000 0.915 303 L HN 0.397 nan 8.230 nan 0.000 0.450 304 A N -0.413 122.390 122.820 -0.029 0.000 1.828 304 A HA -0.248 4.072 4.320 0.001 0.000 0.215 304 A C 1.997 179.570 177.584 -0.018 0.000 1.203 304 A CA 1.856 53.885 52.037 -0.014 0.000 0.614 304 A CB -1.024 17.970 19.000 -0.010 0.000 0.844 304 A HN 0.731 nan 8.150 nan 0.000 0.445 305 E N -0.201 119.985 120.200 -0.023 0.000 2.233 305 E HA -0.281 4.069 4.350 0.001 0.000 0.199 305 E C 1.527 178.113 176.600 -0.023 0.000 1.004 305 E CA 1.454 57.841 56.400 -0.021 0.000 0.819 305 E CB -0.570 29.116 29.700 -0.024 0.000 0.738 305 E HN 0.545 nan 8.360 nan 0.000 0.478 306 N N 1.326 120.006 118.700 -0.033 0.000 2.051 306 N HA -0.074 4.666 4.740 0.001 0.000 0.192 306 N C 1.876 177.358 175.510 -0.046 0.000 1.049 306 N CA 1.097 54.121 53.050 -0.044 0.000 0.845 306 N CB -0.375 38.078 38.487 -0.057 0.000 1.031 306 N HN 0.201 nan 8.380 nan 0.000 0.425 307 R N 0.807 121.286 120.500 -0.033 0.000 2.133 307 R HA -0.191 4.150 4.340 0.001 0.000 0.247 307 R C 1.957 178.247 176.300 -0.017 0.000 1.151 307 R CA 1.388 57.474 56.100 -0.022 0.000 0.971 307 R CB -0.203 30.098 30.300 0.001 0.000 0.866 307 R HN 0.337 nan 8.270 nan 0.000 0.447 308 E N 1.450 121.643 120.200 -0.011 0.000 1.997 308 E HA -0.216 4.134 4.350 0.001 0.000 0.201 308 E C 1.789 178.395 176.600 0.010 0.000 1.011 308 E CA 1.751 58.150 56.400 -0.001 0.000 0.847 308 E CB -0.408 29.290 29.700 -0.002 0.000 0.787 308 E HN 0.222 nan 8.360 nan 0.000 0.472 309 I N 0.017 120.596 120.570 0.015 0.000 2.182 309 I HA -0.299 3.872 4.170 0.001 0.000 0.248 309 I C 2.050 178.225 176.117 0.096 0.000 1.073 309 I CA 1.749 63.084 61.300 0.059 0.000 1.335 309 I CB -0.950 37.090 38.000 0.067 0.000 1.031 309 I HN 0.265 nan 8.210 nan 0.000 0.420 310 L N 0.572 121.784 121.223 -0.019 0.000 2.012 310 L HA -0.216 4.124 4.340 0.001 0.000 0.210 310 L C 2.630 179.516 176.870 0.027 0.000 1.073 310 L CA 2.430 57.205 54.840 -0.108 0.000 0.748 310 L CB -1.145 40.803 42.059 -0.185 0.000 0.891 310 L HN 0.501 nan 8.230 nan 0.000 0.431 311 K N 0.053 120.466 120.400 0.021 0.000 2.008 311 K HA -0.250 4.070 4.320 0.001 0.000 0.231 311 K C 0.282 176.920 176.600 0.063 0.000 1.031 311 K CA 1.927 58.234 56.287 0.034 0.000 0.995 311 K CB -0.359 32.156 32.500 0.025 0.000 0.747 311 K HN 0.220 nan 8.250 nan 0.000 0.447 312 E N 2.494 122.740 120.200 0.076 0.000 2.351 312 E HA 0.057 4.407 4.350 0.001 0.000 0.266 312 E C -2.196 174.487 176.600 0.138 0.000 1.031 312 E CA -1.484 54.962 56.400 0.078 0.000 0.911 312 E CB 0.742 30.470 29.700 0.046 0.000 0.986 312 E HN 0.352 nan 8.360 nan 0.000 0.446 313 P HA 0.071 nan 4.420 nan 0.000 0.271 313 P C -0.213 177.093 177.300 0.010 0.000 1.216 313 P CA -0.067 63.109 63.100 0.126 0.000 0.771 313 P CB 1.122 32.898 31.700 0.126 0.000 0.864 314 V N 3.893 123.670 119.914 -0.228 0.000 3.166 314 V HA 0.567 4.687 4.120 0.001 0.000 0.317 314 V C -1.120 174.660 176.094 -0.522 0.000 1.136 314 V CA -0.595 61.455 62.300 -0.418 0.000 1.035 314 V CB 1.874 33.204 31.823 -0.821 0.000 1.110 314 V HN 0.669 nan 8.190 nan 0.000 0.450 315 H N 0.624 119.409 119.070 -0.475 0.000 3.099 315 H HA 0.551 5.107 4.556 0.001 0.000 0.342 315 H C 0.104 175.063 175.328 -0.615 0.000 1.054 315 H CA 0.257 55.980 56.048 -0.542 0.000 1.328 315 H CB 1.590 31.112 29.762 -0.400 0.000 1.876 315 H HN 0.983 nan 8.280 nan 0.000 0.495 316 G N 1.558 109.809 108.800 -0.915 0.000 2.539 316 G HA2 0.442 4.402 3.960 0.001 0.000 0.258 316 G HA3 0.442 4.402 3.960 0.001 0.000 0.258 316 G C -0.223 174.394 174.900 -0.472 0.000 1.202 316 G CA -0.395 44.278 45.100 -0.711 0.000 0.851 316 G HN 0.430 nan 8.290 nan 0.000 0.556 317 V N 0.202 120.055 119.914 -0.101 0.000 3.234 317 V HA 0.464 4.584 4.120 0.001 0.000 0.317 317 V C -0.232 175.939 176.094 0.129 0.000 1.081 317 V CA -0.933 61.320 62.300 -0.078 0.000 1.037 317 V CB 1.018 32.838 31.823 -0.004 0.000 1.148 317 V HN 0.594 nan 8.190 nan 0.000 0.453 318 Y N -0.858 119.620 120.300 0.296 0.000 2.564 318 Y HA 0.499 5.049 4.550 0.000 0.000 0.347 318 Y C -0.141 175.948 175.900 0.315 0.000 1.284 318 Y CA -1.007 57.281 58.100 0.314 0.000 1.449 318 Y CB 0.240 38.833 38.460 0.220 0.000 1.606 318 Y HN 0.562 nan 8.280 nan 0.000 0.594 319 Y N 0.940 121.461 120.300 0.368 0.000 2.387 319 Y HA 0.369 4.919 4.550 0.001 0.000 0.330 319 Y C -0.852 175.121 175.900 0.122 0.000 1.133 319 Y CA -1.657 56.581 58.100 0.230 0.000 1.152 319 Y CB 1.117 39.786 38.460 0.347 0.000 1.215 319 Y HN 0.488 nan 8.280 nan 0.000 0.466 320 D N 7.412 127.471 120.400 -0.568 0.000 2.440 320 D HA 0.327 4.967 4.640 0.001 0.000 0.252 320 D C -2.266 173.451 176.300 -0.972 0.000 1.180 320 D CA -2.413 51.232 54.000 -0.592 0.000 0.894 320 D CB 1.992 42.635 40.800 -0.263 0.000 1.111 320 D HN 0.284 nan 8.370 nan 0.000 0.544 321 P HA -0.207 nan 4.420 nan 0.000 0.217 321 P C 1.454 178.598 177.300 -0.259 0.000 1.151 321 P CA 1.428 64.193 63.100 -0.559 0.000 0.849 321 P CB 0.249 31.834 31.700 -0.191 0.000 0.787 322 S N -1.402 114.165 115.700 -0.222 0.000 2.348 322 S HA -0.090 4.380 4.470 0.001 0.000 0.221 322 S C 1.118 175.645 174.600 -0.122 0.000 1.033 322 S CA 0.824 58.947 58.200 -0.128 0.000 1.010 322 S CB -0.902 62.235 63.200 -0.105 0.000 0.891 322 S HN 0.003 nan 8.310 nan 0.000 0.442 323 K N 2.415 122.720 120.400 -0.159 0.000 2.230 323 K HA 0.255 4.575 4.320 0.001 0.000 0.253 323 K C -0.183 176.348 176.600 -0.115 0.000 1.008 323 K CA -0.164 56.046 56.287 -0.128 0.000 0.910 323 K CB 0.054 32.475 32.500 -0.131 0.000 0.994 323 K HN 0.378 nan 8.250 nan 0.000 0.495 324 D N 0.785 121.120 120.400 -0.108 0.000 2.414 324 D HA 0.214 4.854 4.640 0.001 0.000 0.251 324 D C 0.074 176.264 176.300 -0.183 0.000 1.252 324 D CA -0.176 53.753 54.000 -0.118 0.000 0.999 324 D CB 0.682 41.410 40.800 -0.119 0.000 1.093 324 D HN 0.176 nan 8.370 nan 0.000 0.515 325 L N 1.722 122.804 121.223 -0.235 0.000 2.295 325 L HA 0.273 4.613 4.340 0.001 0.000 0.281 325 L C -0.481 176.125 176.870 -0.440 0.000 1.018 325 L CA -0.758 53.854 54.840 -0.381 0.000 0.841 325 L CB 1.060 42.861 42.059 -0.431 0.000 1.218 325 L HN 0.070 nan 8.230 nan 0.000 0.424 326 I N 3.079 123.312 120.570 -0.561 0.000 2.365 326 I HA 0.488 4.658 4.170 0.001 0.000 0.291 326 I C 0.489 176.212 176.117 -0.656 0.000 1.004 326 I CA -0.324 60.588 61.300 -0.647 0.000 1.311 326 I CB 1.308 38.766 38.000 -0.902 0.000 1.401 326 I HN 0.543 nan 8.210 nan 0.000 0.491 327 A N 6.877 129.392 122.820 -0.509 0.000 2.353 327 A HA 0.666 4.986 4.320 0.001 0.000 0.299 327 A C -0.399 177.113 177.584 -0.120 0.000 1.089 327 A CA -0.625 51.209 52.037 -0.339 0.000 0.736 327 A CB 0.991 19.680 19.000 -0.519 0.000 1.195 327 A HN 0.778 nan 8.150 nan 0.000 0.447 328 E N 3.714 123.950 120.200 0.060 0.000 2.216 328 E HA 0.634 4.984 4.350 0.001 0.000 0.260 328 E C -1.228 175.481 176.600 0.181 0.000 0.880 328 E CA -0.564 55.916 56.400 0.133 0.000 0.765 328 E CB 1.279 31.069 29.700 0.150 0.000 1.174 328 E HN 0.529 nan 8.360 nan 0.000 0.417 329 I N 2.022 122.689 120.570 0.162 0.000 2.834 329 I HA 0.218 4.388 4.170 0.001 0.000 0.305 329 I C -0.137 176.079 176.117 0.165 0.000 1.008 329 I CA -0.724 60.688 61.300 0.186 0.000 1.273 329 I CB 1.249 39.307 38.000 0.097 0.000 1.432 329 I HN 0.555 nan 8.210 nan 0.000 0.557 330 Q N 2.468 122.393 119.800 0.210 0.000 2.345 330 Q HA 0.353 4.693 4.340 0.001 0.000 0.275 330 Q C -1.086 174.971 176.000 0.095 0.000 1.063 330 Q CA -0.969 54.910 55.803 0.126 0.000 0.819 330 Q CB 2.269 31.043 28.738 0.059 0.000 1.356 330 Q HN 0.321 nan 8.270 nan 0.000 0.418 331 K N 1.125 121.492 120.400 -0.055 0.000 2.349 331 K HA 0.087 4.407 4.320 0.001 0.000 0.289 331 K C 0.075 176.500 176.600 -0.292 0.000 1.064 331 K CA 0.410 56.461 56.287 -0.392 0.000 0.947 331 K CB 0.641 32.925 32.500 -0.359 0.000 1.007 331 K HN 0.663 nan 8.250 nan 0.000 0.478 332 Q N 2.902 122.487 119.800 -0.358 0.000 2.217 332 Q HA 0.214 4.554 4.340 0.001 0.000 0.217 332 Q C -0.695 175.179 176.000 -0.210 0.000 0.844 332 Q CA 0.222 55.902 55.803 -0.205 0.000 0.957 332 Q CB 0.768 29.436 28.738 -0.118 0.000 1.127 332 Q HN 0.946 nan 8.270 nan 0.000 0.503 333 G N 1.573 110.192 108.800 -0.301 0.000 3.220 333 G HA2 -0.080 3.880 3.960 0.001 0.000 0.636 333 G HA3 -0.080 3.880 3.960 0.001 0.000 0.636 333 G C -1.096 173.675 174.900 -0.215 0.000 1.226 333 G CA -0.854 44.115 45.100 -0.219 0.000 1.177 333 G HN 0.109 nan 8.290 nan 0.000 0.527 334 Q N -0.682 118.991 119.800 -0.212 0.000 2.430 334 Q HA -0.103 4.237 4.340 0.001 0.000 0.365 334 Q C 1.573 177.512 176.000 -0.101 0.000 1.399 334 Q CA 2.651 58.371 55.803 -0.138 0.000 1.050 334 Q CB -1.510 27.169 28.738 -0.098 0.000 1.201 334 Q HN 2.856 nan 8.270 nan 0.000 0.320 335 G N -0.094 108.654 108.800 -0.086 0.000 2.176 335 G HA2 -0.269 3.691 3.960 0.001 0.000 0.253 335 G HA3 -0.269 3.691 3.960 0.001 0.000 0.253 335 G C -0.089 174.876 174.900 0.110 0.000 0.979 335 G CA 0.331 45.492 45.100 0.102 0.000 0.641 335 G HN 0.380 nan 8.290 nan 0.000 0.530 336 Q N -0.870 118.819 119.800 -0.184 0.000 2.312 336 Q HA 0.653 4.993 4.340 0.001 0.000 0.263 336 Q C -1.015 174.772 176.000 -0.355 0.000 0.995 336 Q CA -0.309 55.443 55.803 -0.085 0.000 0.853 336 Q CB 1.502 30.198 28.738 -0.070 0.000 1.300 336 Q HN 0.407 nan 8.270 nan 0.000 0.448 337 W N 0.589 121.978 121.300 0.148 0.000 2.900 337 W HA 0.429 5.089 4.660 0.000 0.000 0.336 337 W C 0.106 176.742 176.519 0.195 0.000 1.064 337 W CA -0.602 56.819 57.345 0.127 0.000 1.237 337 W CB 1.692 31.189 29.460 0.062 0.000 1.391 337 W HN 0.355 nan 8.180 nan 0.000 0.468 338 T N 2.368 117.127 114.554 0.341 0.000 2.940 338 T HA 0.815 5.165 4.350 0.001 0.000 0.288 338 T C -1.380 173.547 174.700 0.379 0.000 1.033 338 T CA -0.374 61.907 62.100 0.301 0.000 1.033 338 T CB 0.990 69.934 68.868 0.127 0.000 1.079 338 T HN 0.427 nan 8.240 nan 0.000 0.496 339 Y N 0.415 120.791 120.300 0.127 0.000 2.592 339 Y HA 0.730 5.281 4.550 0.000 0.000 0.334 339 Y C -1.647 174.318 175.900 0.109 0.000 1.136 339 Y CA -1.336 56.833 58.100 0.114 0.000 1.042 339 Y CB 1.027 39.557 38.460 0.116 0.000 1.325 339 Y HN 0.501 nan 8.280 nan 0.000 0.457 340 Q N 3.153 123.038 119.800 0.141 0.000 2.394 340 Q HA 0.733 5.074 4.340 0.001 0.000 0.273 340 Q C -1.316 174.786 176.000 0.171 0.000 1.089 340 Q CA -0.697 55.163 55.803 0.096 0.000 0.812 340 Q CB 3.205 32.031 28.738 0.146 0.000 1.353 340 Q HN 0.748 nan 8.270 nan 0.000 0.438 341 I N 2.700 123.351 120.570 0.135 0.000 2.465 341 I HA 0.633 4.804 4.170 0.001 0.000 0.291 341 I C -1.067 175.071 176.117 0.036 0.000 1.014 341 I CA -1.124 60.176 61.300 0.001 0.000 1.093 341 I CB 1.007 39.007 38.000 0.000 0.000 1.267 341 I HN 0.701 nan 8.210 nan 0.000 0.431 342 Y N 3.096 123.330 120.300 -0.111 0.000 2.764 342 Y HA 0.466 5.016 4.550 0.001 0.000 0.331 342 Y C -0.381 175.422 175.900 -0.161 0.000 1.280 342 Y CA -0.861 57.176 58.100 -0.105 0.000 1.065 342 Y CB 1.130 39.561 38.460 -0.048 0.000 1.319 342 Y HN 0.455 nan 8.280 nan 0.000 0.453 343 Q N -0.405 119.487 119.800 0.153 0.000 2.477 343 Q HA 0.251 4.591 4.340 0.001 0.000 0.252 343 Q C -0.048 176.025 176.000 0.122 0.000 0.869 343 Q CA 0.102 55.914 55.803 0.014 0.000 0.969 343 Q CB 0.997 29.705 28.738 -0.050 0.000 1.144 343 Q HN 0.641 nan 8.270 nan 0.000 0.577 344 E N -0.330 119.953 120.200 0.138 0.000 2.754 344 E HA 0.228 4.578 4.350 0.001 0.000 0.224 344 E C -1.894 174.550 176.600 -0.261 0.000 0.851 344 E CA -1.656 54.723 56.400 -0.035 0.000 1.047 344 E CB -0.348 29.309 29.700 -0.073 0.000 1.584 344 E HN -0.250 nan 8.360 nan 0.000 0.429 345 P HA -0.174 nan 4.420 nan 0.000 0.211 345 P C 0.286 176.908 177.300 -1.130 0.000 0.906 345 P CA 1.827 64.603 63.100 -0.540 0.000 1.017 345 P CB 0.032 31.573 31.700 -0.265 0.000 0.717 346 F N -2.603 117.089 119.950 -0.430 0.000 2.605 346 F HA 0.233 4.760 4.527 0.001 0.000 0.391 346 F C 0.125 175.703 175.800 -0.369 0.000 1.429 346 F CA -0.403 57.234 58.000 -0.605 0.000 1.138 346 F CB 0.104 38.853 39.000 -0.420 0.000 1.198 346 F HN -0.332 nan 8.300 nan 0.000 0.516 347 K N 1.393 121.687 120.400 -0.176 0.000 2.184 347 K HA 0.247 4.568 4.320 0.001 0.000 0.259 347 K C -0.236 176.369 176.600 0.010 0.000 1.119 347 K CA -0.506 55.736 56.287 -0.074 0.000 0.991 347 K CB 0.113 32.568 32.500 -0.074 0.000 1.522 347 K HN 0.048 nan 8.250 nan 0.000 0.405 348 N N 2.297 121.014 118.700 0.029 0.000 2.395 348 N HA -0.056 4.685 4.740 0.001 0.000 0.246 348 N C 0.900 176.480 175.510 0.116 0.000 1.246 348 N CA 0.081 53.200 53.050 0.116 0.000 0.879 348 N CB 0.561 39.083 38.487 0.059 0.000 1.098 348 N HN 0.297 nan 8.380 nan 0.000 0.444 349 L N 0.850 122.198 121.223 0.209 0.000 2.202 349 L HA 0.095 4.435 4.340 0.001 0.000 0.205 349 L C 0.929 178.121 176.870 0.536 0.000 1.083 349 L CA 1.311 56.376 54.840 0.375 0.000 0.790 349 L CB -0.468 41.831 42.059 0.399 0.000 0.942 349 L HN 0.686 nan 8.230 nan 0.000 0.452 350 K N -3.071 117.566 120.400 0.395 0.000 2.579 350 K HA 0.552 4.873 4.320 0.001 0.000 0.284 350 K C -0.721 175.955 176.600 0.125 0.000 0.990 350 K CA -0.622 55.882 56.287 0.362 0.000 0.880 350 K CB 1.525 34.270 32.500 0.410 0.000 1.488 350 K HN -0.229 nan 8.250 nan 0.000 0.425 351 T N -0.343 114.219 114.554 0.015 0.000 2.636 351 T HA 0.773 5.124 4.350 0.001 0.000 0.199 351 T C 0.253 174.650 174.700 -0.505 0.000 0.770 351 T CA -0.049 61.942 62.100 -0.183 0.000 1.712 351 T CB 0.048 68.843 68.868 -0.121 0.000 3.035 351 T HN 1.173 nan 8.240 nan 0.000 0.396 352 G N 0.913 109.451 108.800 -0.437 0.000 2.484 352 G HA2 0.302 4.262 3.960 0.001 0.000 0.685 352 G HA3 0.302 4.262 3.960 0.001 0.000 0.685 352 G C -1.320 173.388 174.900 -0.320 0.000 1.294 352 G CA -0.404 44.423 45.100 -0.456 0.000 0.879 352 G HN 0.805 nan 8.290 nan 0.000 0.646 353 K N -1.043 119.472 120.400 0.191 0.000 2.469 353 K HA 0.854 5.174 4.320 0.001 0.000 0.268 353 K C -1.560 175.336 176.600 0.493 0.000 1.027 353 K CA -1.352 55.162 56.287 0.379 0.000 0.893 353 K CB 2.559 35.181 32.500 0.205 0.000 1.460 353 K HN 1.406 nan 8.250 nan 0.000 0.449 354 Y N -0.593 119.883 120.300 0.293 0.000 2.399 354 Y HA 0.525 5.075 4.550 0.001 0.000 0.327 354 Y C -1.105 174.938 175.900 0.238 0.000 1.111 354 Y CA -0.311 57.919 58.100 0.217 0.000 1.047 354 Y CB 2.203 40.742 38.460 0.132 0.000 1.259 354 Y HN 0.836 nan 8.280 nan 0.000 0.434 355 A N 4.387 127.098 122.820 -0.182 0.000 2.377 355 A HA 0.252 4.572 4.320 0.001 0.000 0.209 355 A C 0.560 177.978 177.584 -0.276 0.000 1.359 355 A CA -0.306 51.707 52.037 -0.041 0.000 1.026 355 A CB 0.286 19.288 19.000 0.003 0.000 1.224 355 A HN 0.588 nan 8.150 nan 0.000 0.528 356 R N 0.786 120.870 120.500 -0.694 0.000 4.340 356 R HA -0.103 4.237 4.340 0.001 0.000 0.137 356 R C -0.029 176.155 176.300 -0.193 0.000 0.446 356 R CA 0.493 56.301 56.100 -0.486 0.000 0.840 356 R CB -1.243 28.675 30.300 -0.636 0.000 1.163 356 R HN 0.555 nan 8.270 nan 0.000 0.389 357 M N 1.283 120.849 119.600 -0.057 0.000 2.853 357 M HA 0.070 4.550 4.480 0.001 0.000 0.274 357 M C 0.439 176.755 176.300 0.026 0.000 1.289 357 M CA -0.094 55.233 55.300 0.045 0.000 1.031 357 M CB 0.124 32.770 32.600 0.077 0.000 1.352 357 M HN 0.100 nan 8.290 nan 0.000 0.485 358 R N 0.193 120.699 120.500 0.010 0.000 2.738 358 R HA 0.443 4.783 4.340 0.001 0.000 0.268 358 R C 0.365 176.684 176.300 0.033 0.000 1.062 358 R CA 0.778 56.886 56.100 0.014 0.000 1.158 358 R CB 0.565 30.871 30.300 0.011 0.000 1.046 358 R HN 0.518 nan 8.270 nan 0.000 0.493 359 G N -0.617 108.196 108.800 0.023 0.000 2.674 359 G HA2 0.037 3.998 3.960 0.001 0.000 0.686 359 G HA3 0.037 3.998 3.960 0.001 0.000 0.686 359 G C -0.011 174.867 174.900 -0.038 0.000 1.195 359 G CA -0.359 44.756 45.100 0.025 0.000 0.776 359 G HN 0.667 nan 8.290 nan 0.000 0.654 360 A N 1.364 124.115 122.820 -0.115 0.000 1.843 360 A HA 0.470 4.791 4.320 0.001 0.000 0.213 360 A C 0.962 178.254 177.584 -0.487 0.000 1.202 360 A CA 2.069 53.881 52.037 -0.375 0.000 0.607 360 A CB -0.233 18.414 19.000 -0.589 0.000 0.847 360 A HN 1.316 nan 8.150 nan 0.000 0.445 361 H N -1.905 117.215 119.070 0.083 0.000 2.538 361 H HA 0.647 5.203 4.556 0.000 0.000 0.353 361 H C -0.527 174.849 175.328 0.080 0.000 1.109 361 H CA 0.080 56.172 56.048 0.073 0.000 1.192 361 H CB 1.735 31.539 29.762 0.071 0.000 1.555 361 H HN 0.191 nan 8.280 nan 0.000 0.518 362 T N 1.902 116.552 114.554 0.160 0.000 2.982 362 T HA 0.386 4.736 4.350 0.001 0.000 0.321 362 T C -1.607 173.118 174.700 0.042 0.000 1.229 362 T CA -1.074 61.081 62.100 0.091 0.000 1.044 362 T CB 0.788 69.702 68.868 0.077 0.000 1.184 362 T HN 0.880 nan 8.240 nan 0.000 0.477 363 N N 2.880 121.552 118.700 -0.046 0.000 2.342 363 N HA 0.406 5.147 4.740 0.001 0.000 0.293 363 N C 0.461 175.886 175.510 -0.142 0.000 1.026 363 N CA -0.609 52.376 53.050 -0.109 0.000 0.857 363 N CB 1.392 39.739 38.487 -0.233 0.000 1.256 363 N HN 0.436 nan 8.380 nan 0.000 0.484 364 D N 1.182 121.578 120.400 -0.006 0.000 2.653 364 D HA -0.285 4.356 4.640 0.001 0.000 0.199 364 D C 1.630 177.861 176.300 -0.115 0.000 1.042 364 D CA 2.390 56.454 54.000 0.107 0.000 0.876 364 D CB -0.612 40.310 40.800 0.203 0.000 1.010 364 D HN 0.414 nan 8.370 nan 0.000 0.473 365 V N 0.602 120.355 119.914 -0.269 0.000 2.240 365 V HA -0.412 3.709 4.120 0.001 0.000 0.257 365 V C 2.345 178.204 176.094 -0.391 0.000 1.067 365 V CA 2.742 64.801 62.300 -0.403 0.000 1.067 365 V CB -0.732 30.596 31.823 -0.825 0.000 0.683 365 V HN 0.264 nan 8.190 nan 0.000 0.461 366 K N -0.631 119.516 120.400 -0.421 0.000 2.000 366 K HA -0.331 3.989 4.320 0.001 0.000 0.218 366 K C 2.380 178.801 176.600 -0.299 0.000 1.053 366 K CA 2.330 58.468 56.287 -0.248 0.000 0.946 366 K CB -0.419 31.978 32.500 -0.171 0.000 0.723 366 K HN 0.567 nan 8.250 nan 0.000 0.446 367 Q N 0.622 120.264 119.800 -0.264 0.000 2.142 367 Q HA -0.248 4.092 4.340 0.001 0.000 0.213 367 Q C 2.046 177.478 176.000 -0.947 0.000 1.004 367 Q CA 1.890 57.473 55.803 -0.368 0.000 0.883 367 Q CB -0.198 28.535 28.738 -0.007 0.000 0.939 367 Q HN 0.320 nan 8.270 nan 0.000 0.413 368 L N 0.113 120.728 121.223 -1.013 0.000 2.017 368 L HA -0.171 4.170 4.340 0.001 0.000 0.208 368 L C 1.977 178.278 176.870 -0.948 0.000 1.073 368 L CA 2.544 56.640 54.840 -1.239 0.000 0.745 368 L CB -1.324 40.255 42.059 -0.800 0.000 0.894 368 L HN 0.406 nan 8.230 nan 0.000 0.432 369 T N 0.092 114.216 114.554 -0.716 0.000 2.652 369 T HA -0.223 4.128 4.350 0.001 0.000 0.267 369 T C 1.664 176.031 174.700 -0.556 0.000 1.039 369 T CA 1.697 63.419 62.100 -0.630 0.000 1.153 369 T CB -0.321 68.342 68.868 -0.341 0.000 0.863 369 T HN 0.425 nan 8.240 nan 0.000 0.428 370 E N 1.167 121.089 120.200 -0.465 0.000 2.169 370 E HA -0.232 4.118 4.350 0.001 0.000 0.202 370 E C 2.488 178.740 176.600 -0.580 0.000 1.016 370 E CA 1.214 57.388 56.400 -0.377 0.000 0.817 370 E CB -0.296 29.260 29.700 -0.240 0.000 0.736 370 E HN 0.548 nan 8.360 nan 0.000 0.462 371 A N 0.784 123.012 122.820 -0.987 0.000 1.898 371 A HA -0.126 4.195 4.320 0.001 0.000 0.216 371 A C 2.524 179.704 177.584 -0.674 0.000 1.181 371 A CA 1.178 52.560 52.037 -1.092 0.000 0.620 371 A CB -0.610 17.639 19.000 -1.252 0.000 0.819 371 A HN 0.115 nan 8.150 nan 0.000 0.442 372 V N -0.041 119.447 119.914 -0.711 0.000 2.231 372 V HA -0.362 3.758 4.120 0.001 0.000 0.248 372 V C 2.712 178.535 176.094 -0.452 0.000 1.054 372 V CA 2.493 64.335 62.300 -0.763 0.000 1.015 372 V CB -1.033 30.163 31.823 -1.044 0.000 0.638 372 V HN 0.617 nan 8.190 nan 0.000 0.444 373 Q N 0.366 119.947 119.800 -0.366 0.000 1.998 373 Q HA -0.278 4.062 4.340 0.001 0.000 0.209 373 Q C 2.165 178.102 176.000 -0.105 0.000 1.002 373 Q CA 2.375 58.071 55.803 -0.179 0.000 0.858 373 Q CB -0.613 28.050 28.738 -0.125 0.000 0.932 373 Q HN 0.529 nan 8.270 nan 0.000 0.416 374 K N -0.038 120.293 120.400 -0.116 0.000 2.032 374 K HA -0.167 4.153 4.320 0.001 0.000 0.218 374 K C 1.939 178.511 176.600 -0.047 0.000 1.054 374 K CA 2.106 58.374 56.287 -0.031 0.000 0.941 374 K CB -0.684 31.843 32.500 0.045 0.000 0.720 374 K HN 0.397 nan 8.250 nan 0.000 0.449 375 I N -0.077 120.415 120.570 -0.130 0.000 2.286 375 I HA -0.292 3.879 4.170 0.001 0.000 0.248 375 I C 1.954 178.133 176.117 0.103 0.000 1.115 375 I CA 1.485 62.751 61.300 -0.056 0.000 1.392 375 I CB -0.812 37.143 38.000 -0.075 0.000 1.065 375 I HN 0.212 nan 8.210 nan 0.000 0.418 376 T N 0.790 115.419 114.554 0.126 0.000 2.555 376 T HA -0.249 4.101 4.350 0.001 0.000 0.264 376 T C 2.082 176.841 174.700 0.097 0.000 1.083 376 T CA 2.785 64.978 62.100 0.155 0.000 1.179 376 T CB -0.868 68.054 68.868 0.091 0.000 0.863 376 T HN 0.610 nan 8.240 nan 0.000 0.412 377 T N 1.116 115.705 114.554 0.057 0.000 2.624 377 T HA -0.277 4.073 4.350 0.001 0.000 0.268 377 T C 1.841 176.559 174.700 0.030 0.000 1.041 377 T CA 2.044 64.170 62.100 0.043 0.000 1.159 377 T CB -0.703 68.185 68.868 0.033 0.000 0.863 377 T HN 0.627 nan 8.240 nan 0.000 0.434 378 E N 0.702 120.919 120.200 0.028 0.000 2.058 378 E HA -0.202 4.148 4.350 0.001 0.000 0.194 378 E C 2.442 179.023 176.600 -0.033 0.000 0.997 378 E CA 1.485 57.881 56.400 -0.008 0.000 0.801 378 E CB -0.523 29.195 29.700 0.030 0.000 0.746 378 E HN 0.576 nan 8.360 nan 0.000 0.450 379 S N -0.274 115.485 115.700 0.098 0.000 2.382 379 S HA -0.115 4.355 4.470 0.001 0.000 0.228 379 S C 1.954 176.635 174.600 0.135 0.000 1.027 379 S CA 0.998 59.349 58.200 0.250 0.000 0.991 379 S CB -0.225 63.153 63.200 0.296 0.000 0.823 379 S HN 0.318 nan 8.310 nan 0.000 0.469 380 I N 1.323 121.937 120.570 0.074 0.000 2.163 380 I HA -0.099 4.071 4.170 0.001 0.000 0.243 380 I C 2.539 178.647 176.117 -0.015 0.000 1.085 380 I CA 1.217 62.547 61.300 0.049 0.000 1.347 380 I CB -1.572 36.459 38.000 0.052 0.000 1.044 380 I HN 0.306 nan 8.210 nan 0.000 0.408 381 V N 0.910 120.785 119.914 -0.064 0.000 2.548 381 V HA -0.180 3.941 4.120 0.001 0.000 0.249 381 V C 2.263 178.231 176.094 -0.209 0.000 1.055 381 V CA 1.464 63.703 62.300 -0.101 0.000 1.065 381 V CB 0.008 31.779 31.823 -0.085 0.000 0.681 381 V HN 0.251 nan 8.190 nan 0.000 0.462 382 I N -1.246 119.092 120.570 -0.386 0.000 2.339 382 I HA -0.067 4.104 4.170 0.001 0.000 0.245 382 I C 1.814 177.484 176.117 -0.745 0.000 1.096 382 I CA 1.302 62.166 61.300 -0.727 0.000 1.408 382 I CB -0.248 36.945 38.000 -1.345 0.000 1.092 382 I HN 0.367 nan 8.210 nan 0.000 0.423 383 W N 0.629 121.764 121.300 -0.275 0.000 2.991 383 W HA 0.385 5.046 4.660 0.001 0.000 0.391 383 W C 1.351 177.747 176.519 -0.204 0.000 1.054 383 W CA 0.355 57.438 57.345 -0.437 0.000 1.856 383 W CB -0.414 28.669 29.460 -0.628 0.000 1.132 383 W HN 0.308 nan 8.180 nan 0.000 0.601 384 G N 2.752 111.571 108.800 0.032 0.000 2.233 384 G HA2 -0.339 3.622 3.960 0.001 0.000 0.270 384 G HA3 -0.339 3.622 3.960 0.001 0.000 0.270 384 G C 0.261 175.216 174.900 0.093 0.000 1.011 384 G CA 1.399 46.532 45.100 0.056 0.000 0.762 384 G HN 0.408 nan 8.290 nan 0.000 0.511 385 K N -1.971 118.501 120.400 0.119 0.000 2.597 385 K HA 0.620 4.941 4.320 0.001 0.000 0.282 385 K C -0.773 175.891 176.600 0.107 0.000 0.975 385 K CA -0.396 55.957 56.287 0.110 0.000 0.867 385 K CB 0.906 33.473 32.500 0.112 0.000 1.465 385 K HN 0.360 nan 8.250 nan 0.000 0.417 386 T N 1.928 116.534 114.554 0.087 0.000 2.856 386 T HA 0.469 4.819 4.350 0.001 0.000 0.292 386 T C -2.245 172.450 174.700 -0.008 0.000 0.980 386 T CA -1.329 60.817 62.100 0.077 0.000 1.091 386 T CB 0.643 69.585 68.868 0.124 0.000 0.936 386 T HN 0.515 nan 8.240 nan 0.000 0.503 387 P HA 0.396 nan 4.420 nan 0.000 0.285 387 P C -0.990 176.077 177.300 -0.387 0.000 1.269 387 P CA -0.853 62.057 63.100 -0.317 0.000 0.844 387 P CB 0.808 32.211 31.700 -0.495 0.000 1.094 388 K N 1.461 121.674 120.400 -0.311 0.000 2.298 388 K HA 0.352 4.673 4.320 0.001 0.000 0.280 388 K C -0.362 176.059 176.600 -0.299 0.000 1.032 388 K CA 0.019 56.196 56.287 -0.185 0.000 0.958 388 K CB 0.225 32.656 32.500 -0.115 0.000 0.978 388 K HN 0.349 nan 8.250 nan 0.000 0.472 389 F N 1.574 121.517 119.950 -0.011 0.000 2.450 389 F HA 0.327 4.855 4.527 0.001 0.000 0.332 389 F C 0.417 176.265 175.800 0.080 0.000 1.093 389 F CA -0.665 57.331 58.000 -0.005 0.000 1.003 389 F CB 1.592 40.552 39.000 -0.067 0.000 1.151 389 F HN 0.159 nan 8.300 nan 0.000 0.474 390 K N 4.965 125.498 120.400 0.222 0.000 2.413 390 K HA 0.667 4.987 4.320 0.001 0.000 0.257 390 K C -1.339 175.346 176.600 0.143 0.000 0.946 390 K CA -0.526 55.870 56.287 0.182 0.000 0.823 390 K CB 2.051 34.606 32.500 0.091 0.000 1.109 390 K HN 0.512 nan 8.250 nan 0.000 0.427 391 L N 3.172 124.495 121.223 0.166 0.000 2.333 391 L HA 0.512 4.853 4.340 0.001 0.000 0.263 391 L C -2.175 174.681 176.870 -0.023 0.000 1.014 391 L CA -2.276 52.578 54.840 0.023 0.000 0.820 391 L CB 2.168 44.104 42.059 -0.204 0.000 1.352 391 L HN 0.406 nan 8.230 nan 0.000 0.421 392 P HA 0.273 nan 4.420 nan 0.000 0.220 392 P C -0.677 176.707 177.300 0.140 0.000 1.793 392 P CA 0.321 63.405 63.100 -0.027 0.000 0.917 392 P CB 0.204 31.920 31.700 0.026 0.000 1.755 393 I N -0.612 120.140 120.570 0.302 0.000 2.752 393 I HA 0.252 4.422 4.170 0.001 0.000 0.295 393 I C -0.918 175.602 176.117 0.672 0.000 1.219 393 I CA -0.974 60.557 61.300 0.385 0.000 1.030 393 I CB 2.640 40.692 38.000 0.087 0.000 1.259 393 I HN -0.272 nan 8.210 nan 0.000 0.423 394 Q N 5.772 125.775 119.800 0.338 0.000 2.297 394 Q HA 0.045 4.385 4.340 0.001 0.000 0.267 394 Q C 0.873 177.012 176.000 0.231 0.000 1.006 394 Q CA 0.008 55.816 55.803 0.008 0.000 0.896 394 Q CB 1.306 29.954 28.738 -0.150 0.000 1.186 394 Q HN 0.685 nan 8.270 nan 0.000 0.392 395 K N 2.039 122.529 120.400 0.150 0.000 2.207 395 K HA -0.296 4.024 4.320 0.001 0.000 0.208 395 K C 0.741 177.483 176.600 0.237 0.000 1.046 395 K CA 2.193 58.587 56.287 0.178 0.000 0.929 395 K CB 0.103 32.536 32.500 -0.112 0.000 0.720 395 K HN 0.359 nan 8.250 nan 0.000 0.463 396 E N 0.434 120.703 120.200 0.115 0.000 2.021 396 E HA -0.110 4.240 4.350 0.001 0.000 0.189 396 E C 2.180 178.875 176.600 0.158 0.000 0.980 396 E CA 1.658 58.119 56.400 0.102 0.000 0.803 396 E CB -0.537 29.178 29.700 0.026 0.000 0.766 396 E HN 0.439 nan 8.360 nan 0.000 0.449 397 T N 0.080 114.724 114.554 0.149 0.000 2.802 397 T HA -0.234 4.116 4.350 0.001 0.000 0.269 397 T C 1.314 176.185 174.700 0.286 0.000 1.062 397 T CA 1.455 63.655 62.100 0.166 0.000 1.133 397 T CB -0.289 68.650 68.868 0.118 0.000 0.852 397 T HN 0.444 nan 8.240 nan 0.000 0.485 398 W N 1.025 122.405 121.300 0.133 0.000 2.463 398 W HA -0.077 4.583 4.660 0.000 0.000 0.316 398 W C 2.043 178.702 176.519 0.234 0.000 1.170 398 W CA 0.949 58.387 57.345 0.156 0.000 1.355 398 W CB -0.185 29.348 29.460 0.120 0.000 1.159 398 W HN 0.227 nan 8.180 nan 0.000 0.487 399 E N 0.525 120.752 120.200 0.045 0.000 2.082 399 E HA -0.304 4.047 4.350 0.001 0.000 0.215 399 E C 1.794 178.500 176.600 0.177 0.000 1.048 399 E CA 2.704 59.122 56.400 0.031 0.000 0.869 399 E CB -1.480 28.288 29.700 0.113 0.000 0.773 399 E HN 0.246 nan 8.360 nan 0.000 0.466 400 T N 1.268 115.905 114.554 0.138 0.000 2.680 400 T HA -0.218 4.132 4.350 0.001 0.000 0.268 400 T C 1.306 176.069 174.700 0.105 0.000 1.033 400 T CA 1.778 63.948 62.100 0.115 0.000 1.152 400 T CB -0.376 68.564 68.868 0.121 0.000 0.859 400 T HN 0.424 nan 8.240 nan 0.000 0.452 401 W N 1.229 122.484 121.300 -0.075 0.000 2.423 401 W HA -0.092 4.568 4.660 0.000 0.000 0.321 401 W C 2.352 178.759 176.519 -0.187 0.000 1.180 401 W CA 1.157 58.411 57.345 -0.151 0.000 1.322 401 W CB -0.698 28.653 29.460 -0.181 0.000 1.174 401 W HN 0.458 nan 8.180 nan 0.000 0.470 402 W N 2.554 123.384 121.300 -0.784 0.000 2.341 402 W HA -0.168 4.492 4.660 0.001 0.000 0.283 402 W C 1.325 177.537 176.519 -0.511 0.000 1.215 402 W CA 2.055 58.903 57.345 -0.829 0.000 1.211 402 W CB -1.595 27.244 29.460 -1.035 0.000 1.131 402 W HN -0.148 nan 8.180 nan 0.000 0.552 403 T N 0.971 115.172 114.554 -0.587 0.000 2.939 403 T HA -0.124 4.227 4.350 0.001 0.000 0.254 403 T C 1.421 175.857 174.700 -0.439 0.000 1.041 403 T CA 1.786 63.483 62.100 -0.672 0.000 1.142 403 T CB -0.121 68.568 68.868 -0.299 0.000 0.874 403 T HN 0.058 nan 8.240 nan 0.000 0.452 404 E N 0.022 120.014 120.200 -0.346 0.000 2.208 404 E HA 0.074 4.425 4.350 0.001 0.000 0.193 404 E C 0.192 176.593 176.600 -0.331 0.000 0.988 404 E CA 0.126 56.364 56.400 -0.272 0.000 0.828 404 E CB -0.012 29.572 29.700 -0.193 0.000 0.763 404 E HN 0.587 nan 8.360 nan 0.000 0.478 405 Y N 0.567 120.419 120.300 -0.747 0.000 2.411 405 Y HA -0.064 4.487 4.550 0.000 0.000 0.333 405 Y C 1.235 176.811 175.900 -0.541 0.000 1.186 405 Y CA -0.561 57.016 58.100 -0.871 0.000 1.381 405 Y CB 0.442 38.061 38.460 -1.401 0.000 1.273 405 Y HN 0.171 nan 8.280 nan 0.000 0.546 406 W N 3.424 124.249 121.300 -0.792 0.000 2.381 406 W HA -0.071 4.589 4.660 0.001 0.000 0.301 406 W C 0.168 176.313 176.519 -0.624 0.000 1.205 406 W CA 0.291 57.270 57.345 -0.610 0.000 1.285 406 W CB -0.644 28.535 29.460 -0.468 0.000 1.133 406 W HN 0.536 nan 8.180 nan 0.000 0.521 407 Q N 1.352 120.214 119.800 -1.563 0.000 2.535 407 Q HA 0.387 4.727 4.340 0.001 0.000 0.228 407 Q C -0.209 175.545 176.000 -0.410 0.000 1.062 407 Q CA -0.011 55.217 55.803 -0.958 0.000 0.967 407 Q CB 0.941 28.786 28.738 -1.488 0.000 1.273 407 Q HN 0.131 nan 8.270 nan 0.000 0.554 408 A N 1.488 124.222 122.820 -0.143 0.000 2.301 408 A HA 0.616 4.936 4.320 0.001 0.000 0.312 408 A C -0.679 176.978 177.584 0.122 0.000 1.182 408 A CA -0.258 51.770 52.037 -0.015 0.000 0.826 408 A CB 1.206 20.221 19.000 0.025 0.000 1.134 408 A HN 0.698 nan 8.150 nan 0.000 0.501 409 T N 1.516 116.235 114.554 0.275 0.000 2.838 409 T HA 0.751 5.101 4.350 0.001 0.000 0.292 409 T C -1.317 173.765 174.700 0.637 0.000 1.113 409 T CA -0.370 61.990 62.100 0.432 0.000 1.008 409 T CB 1.512 70.713 68.868 0.555 0.000 1.259 409 T HN 0.933 nan 8.240 nan 0.000 0.520 410 W N 2.036 123.512 121.300 0.293 0.000 3.525 410 W HA 0.320 4.980 4.660 0.000 0.000 0.299 410 W C -2.485 174.085 176.519 0.086 0.000 1.127 410 W CA -0.636 56.847 57.345 0.231 0.000 1.282 410 W CB 0.106 29.684 29.460 0.197 0.000 0.997 410 W HN 0.573 nan 8.180 nan 0.000 0.358 411 I N 8.109 128.291 120.570 -0.647 0.000 2.519 411 I HA 0.168 4.338 4.170 0.001 0.000 0.287 411 I C -0.943 174.532 176.117 -1.070 0.000 1.047 411 I CA -1.495 59.327 61.300 -0.796 0.000 1.381 411 I CB 1.085 38.570 38.000 -0.858 0.000 1.417 411 I HN 0.169 nan 8.210 nan 0.000 0.540 412 P HA -0.054 nan 4.420 nan 0.000 0.321 412 P C -0.571 176.678 177.300 -0.086 0.000 1.338 412 P CA -0.152 62.833 63.100 -0.191 0.000 0.764 412 P CB 0.244 32.004 31.700 0.101 0.000 1.641 413 E N -0.070 120.186 120.200 0.093 0.000 2.259 413 E HA 0.241 4.592 4.350 0.001 0.000 0.281 413 E C -0.932 175.815 176.600 0.244 0.000 1.027 413 E CA -0.620 55.842 56.400 0.102 0.000 0.838 413 E CB 0.390 30.124 29.700 0.057 0.000 1.066 413 E HN 0.387 nan 8.360 nan 0.000 0.401 414 W N 2.962 124.218 121.300 -0.075 0.000 3.213 414 W HA 0.525 5.186 4.660 0.001 0.000 0.318 414 W C -1.402 175.092 176.519 -0.042 0.000 1.248 414 W CA -0.865 56.455 57.345 -0.041 0.000 1.187 414 W CB 0.443 29.845 29.460 -0.098 0.000 1.403 414 W HN 0.349 nan 8.180 nan 0.000 0.556 415 E N 1.187 121.425 120.200 0.063 0.000 2.264 415 E HA 0.566 4.917 4.350 0.001 0.000 0.260 415 E C -1.457 175.228 176.600 0.141 0.000 0.961 415 E CA -1.089 55.264 56.400 -0.079 0.000 0.834 415 E CB 1.898 31.591 29.700 -0.012 0.000 1.230 415 E HN 0.290 nan 8.360 nan 0.000 0.412 416 F N 2.125 122.039 119.950 -0.059 0.000 2.410 416 F HA 0.445 4.972 4.527 0.000 0.000 0.348 416 F C -0.579 175.272 175.800 0.085 0.000 1.106 416 F CA -0.555 57.497 58.000 0.086 0.000 1.163 416 F CB 0.419 39.429 39.000 0.018 0.000 1.129 416 F HN 0.172 nan 8.300 nan 0.000 0.516 417 V N 3.436 122.903 119.914 -0.744 0.000 2.994 417 V HA 0.487 4.608 4.120 0.001 0.000 0.318 417 V C -0.321 175.091 176.094 -1.137 0.000 1.085 417 V CA -1.036 60.873 62.300 -0.652 0.000 0.998 417 V CB 1.659 33.325 31.823 -0.262 0.000 1.063 417 V HN 0.778 nan 8.190 nan 0.000 0.447 418 N N 1.495 119.888 118.700 -0.512 0.000 2.535 418 N HA 0.138 4.879 4.740 0.001 0.000 0.294 418 N C 0.189 175.625 175.510 -0.123 0.000 1.408 418 N CA 0.038 52.924 53.050 -0.274 0.000 0.927 418 N CB 0.102 38.581 38.487 -0.013 0.000 1.276 418 N HN 1.019 nan 8.380 nan 0.000 0.505 419 T N -0.796 113.672 114.554 -0.142 0.000 2.751 419 T HA 0.229 4.579 4.350 0.001 0.000 0.290 419 T C -1.682 172.994 174.700 -0.041 0.000 0.919 419 T CA -1.212 60.844 62.100 -0.073 0.000 1.136 419 T CB 1.334 70.165 68.868 -0.063 0.000 0.875 419 T HN 0.083 nan 8.240 nan 0.000 0.532 420 P HA 0.206 nan 4.420 nan 0.000 0.253 420 P C -1.915 175.393 177.300 0.013 0.000 1.281 420 P CA -0.301 62.803 63.100 0.007 0.000 0.792 420 P CB -0.922 30.782 31.700 0.006 0.000 1.193 421 P HA 0.137 nan 4.420 nan 0.000 0.236 421 P C 0.268 177.586 177.300 0.030 0.000 1.709 421 P CA -0.521 62.582 63.100 0.004 0.000 0.942 421 P CB -0.244 31.432 31.700 -0.040 0.000 1.615 422 L N 0.116 121.371 121.223 0.054 0.000 2.654 422 L HA -0.093 4.247 4.340 0.001 0.000 0.309 422 L C 0.748 177.675 176.870 0.096 0.000 1.267 422 L CA 0.744 55.640 54.840 0.093 0.000 0.866 422 L CB -0.294 41.842 42.059 0.129 0.000 1.108 422 L HN -0.052 nan 8.230 nan 0.000 0.516 423 V N 4.796 124.781 119.914 0.118 0.000 2.407 423 V HA 0.404 4.524 4.120 0.001 0.000 0.278 423 V C 0.364 176.497 176.094 0.064 0.000 1.037 423 V CA -0.553 61.817 62.300 0.117 0.000 0.900 423 V CB 1.379 33.279 31.823 0.128 0.000 0.983 423 V HN 0.892 nan 8.190 nan 0.000 0.459 424 K N 4.853 125.268 120.400 0.025 0.000 2.509 424 K HA 0.608 4.928 4.320 0.001 0.000 0.266 424 K C -1.637 174.907 176.600 -0.093 0.000 0.987 424 K CA -1.051 55.185 56.287 -0.085 0.000 0.868 424 K CB 1.951 34.307 32.500 -0.239 0.000 1.421 424 K HN 0.212 nan 8.250 nan 0.000 0.444 425 L N 2.042 123.195 121.223 -0.116 0.000 2.313 425 L HA 0.141 4.481 4.340 0.001 0.000 0.282 425 L C 0.013 176.814 176.870 -0.116 0.000 1.092 425 L CA 0.155 54.939 54.840 -0.094 0.000 0.831 425 L CB 0.101 42.124 42.059 -0.060 0.000 1.159 425 L HN 0.793 nan 8.230 nan 0.000 0.442 426 W N 4.990 126.245 121.300 -0.074 0.000 3.256 426 W HA 0.071 4.731 4.660 0.001 0.000 0.269 426 W C -0.099 176.558 176.519 0.231 0.000 1.310 426 W CA -0.016 57.374 57.345 0.075 0.000 1.673 426 W CB -0.003 29.539 29.460 0.137 0.000 1.115 426 W HN 0.551 nan 8.180 nan 0.000 0.686 427 Y N -2.628 117.782 120.300 0.183 0.000 2.755 427 Y HA 0.322 4.872 4.550 0.001 0.000 0.368 427 Y C -1.363 174.609 175.900 0.120 0.000 1.177 427 Y CA -1.918 56.263 58.100 0.136 0.000 1.290 427 Y CB 0.018 38.567 38.460 0.148 0.000 1.415 427 Y HN -0.303 nan 8.280 nan 0.000 0.501 428 Q N 3.375 123.335 119.800 0.267 0.000 2.340 428 Q HA 0.541 4.882 4.340 0.001 0.000 0.268 428 Q C -0.478 175.666 176.000 0.240 0.000 1.031 428 Q CA -0.891 55.021 55.803 0.182 0.000 0.804 428 Q CB 3.254 32.063 28.738 0.119 0.000 1.286 428 Q HN 0.866 nan 8.270 nan 0.000 0.448 429 L N 0.857 122.208 121.223 0.214 0.000 2.470 429 L HA 0.177 4.517 4.340 0.001 0.000 0.243 429 L C 0.617 177.582 176.870 0.159 0.000 1.227 429 L CA -0.131 54.815 54.840 0.177 0.000 0.824 429 L CB 0.361 42.498 42.059 0.129 0.000 1.175 429 L HN 0.403 nan 8.230 nan 0.000 0.503 430 E N 0.698 121.013 120.200 0.192 0.000 2.133 430 E HA 0.141 4.492 4.350 0.001 0.000 0.274 430 E C 0.341 177.145 176.600 0.340 0.000 0.930 430 E CA -0.507 56.044 56.400 0.251 0.000 0.770 430 E CB 1.846 31.720 29.700 0.291 0.000 1.104 430 E HN 0.358 nan 8.360 nan 0.000 0.403 431 K N 1.568 122.096 120.400 0.212 0.000 2.020 431 K HA -0.139 4.182 4.320 0.001 0.000 0.212 431 K C 1.069 177.836 176.600 0.277 0.000 1.050 431 K CA 1.462 57.866 56.287 0.196 0.000 0.929 431 K CB 0.170 32.730 32.500 0.101 0.000 0.714 431 K HN 0.603 nan 8.250 nan 0.000 0.443 432 E N 0.543 120.805 120.200 0.102 0.000 2.316 432 E HA 0.339 4.689 4.350 0.001 0.000 0.258 432 E C -2.735 173.460 176.600 -0.675 0.000 0.952 432 E CA -2.455 53.843 56.400 -0.171 0.000 0.818 432 E CB 1.011 30.643 29.700 -0.114 0.000 1.260 432 E HN -0.245 nan 8.360 nan 0.000 0.416 433 P HA 0.114 nan 4.420 nan 0.000 0.278 433 P C -0.467 176.619 177.300 -0.357 0.000 1.268 433 P CA 0.194 62.768 63.100 -0.877 0.000 0.813 433 P CB 0.262 31.679 31.700 -0.473 0.000 1.180 434 I N -1.302 119.157 120.570 -0.186 0.000 2.512 434 I HA 0.194 4.364 4.170 0.001 0.000 0.287 434 I C -0.550 175.543 176.117 -0.040 0.000 1.069 434 I CA -1.115 60.143 61.300 -0.070 0.000 1.056 434 I CB 1.897 39.894 38.000 -0.005 0.000 1.229 434 I HN -0.089 nan 8.210 nan 0.000 0.429 435 V N 5.223 125.118 119.914 -0.032 0.000 2.655 435 V HA 0.261 4.382 4.120 0.001 0.000 0.300 435 V C 1.206 177.301 176.094 0.001 0.000 1.044 435 V CA 0.814 63.104 62.300 -0.016 0.000 1.095 435 V CB 0.831 32.645 31.823 -0.015 0.000 0.952 435 V HN 1.122 nan 8.190 nan 0.000 0.485 436 G N 3.921 112.725 108.800 0.007 0.000 2.333 436 G HA2 0.109 4.070 3.960 0.001 0.000 0.296 436 G HA3 0.109 4.070 3.960 0.001 0.000 0.296 436 G C -0.006 174.911 174.900 0.027 0.000 1.059 436 G CA 0.174 45.283 45.100 0.016 0.000 1.050 436 G HN 1.693 nan 8.290 nan 0.000 0.508 437 A N 0.099 122.941 122.820 0.036 0.000 2.427 437 A HA 0.723 5.043 4.320 0.001 0.000 0.298 437 A C 0.158 177.789 177.584 0.080 0.000 1.036 437 A CA -0.547 51.526 52.037 0.060 0.000 0.701 437 A CB 1.038 20.075 19.000 0.062 0.000 1.250 437 A HN 0.408 nan 8.150 nan 0.000 0.412 438 E N 1.818 122.083 120.200 0.108 0.000 2.729 438 E HA 0.027 4.378 4.350 0.001 0.000 0.246 438 E C -0.286 176.397 176.600 0.139 0.000 0.984 438 E CA 0.753 57.210 56.400 0.095 0.000 0.951 438 E CB 0.266 30.065 29.700 0.164 0.000 0.914 438 E HN 0.559 nan 8.360 nan 0.000 0.509 439 T N 4.472 119.062 114.554 0.060 0.000 2.752 439 T HA 0.157 4.508 4.350 0.001 0.000 0.295 439 T C -0.255 174.483 174.700 0.064 0.000 0.923 439 T CA -0.006 62.158 62.100 0.107 0.000 1.112 439 T CB -0.110 68.863 68.868 0.175 0.000 0.884 439 T HN 0.193 nan 8.240 nan 0.000 0.525 440 F N 3.404 123.379 119.950 0.043 0.000 2.308 440 F HA 0.323 4.850 4.527 0.000 0.000 0.370 440 F C -0.229 175.604 175.800 0.054 0.000 1.100 440 F CA -1.109 56.935 58.000 0.073 0.000 1.108 440 F CB 0.581 39.542 39.000 -0.065 0.000 1.293 440 F HN 0.545 nan 8.300 nan 0.000 0.478 441 Y N 3.911 124.306 120.300 0.158 0.000 2.616 441 Y HA 0.319 4.869 4.550 0.000 0.000 0.350 441 Y C 0.522 176.535 175.900 0.189 0.000 1.119 441 Y CA -0.979 57.199 58.100 0.130 0.000 1.467 441 Y CB -0.239 38.257 38.460 0.061 0.000 1.287 441 Y HN 0.329 nan 8.280 nan 0.000 0.504 442 V N -0.382 119.697 119.914 0.275 0.000 3.036 442 V HA 0.700 4.820 4.120 0.001 0.000 0.308 442 V C -0.339 175.868 176.094 0.188 0.000 1.070 442 V CA -0.508 61.952 62.300 0.266 0.000 1.056 442 V CB 2.131 34.074 31.823 0.198 0.000 1.084 442 V HN 0.551 nan 8.190 nan 0.000 0.471 443 D N 0.611 121.116 120.400 0.175 0.000 2.836 443 D HA 0.522 5.162 4.640 0.001 0.000 0.215 443 D C -0.639 175.732 176.300 0.118 0.000 1.255 443 D CA 0.212 54.290 54.000 0.130 0.000 0.822 443 D CB 1.986 42.855 40.800 0.116 0.000 1.656 443 D HN 1.147 nan 8.370 nan 0.000 0.511 444 G N 0.781 109.643 108.800 0.103 0.000 2.530 444 G HA2 0.746 4.706 3.960 0.001 0.000 0.316 444 G HA3 0.746 4.706 3.960 0.001 0.000 0.316 444 G C -0.815 174.126 174.900 0.069 0.000 1.298 444 G CA -0.088 45.066 45.100 0.090 0.000 0.948 444 G HN 0.521 nan 8.290 nan 0.000 0.486 445 A N 1.059 123.912 122.820 0.054 0.000 2.464 445 A HA 1.104 5.425 4.320 0.001 0.000 0.268 445 A C -0.068 177.533 177.584 0.027 0.000 1.244 445 A CA -0.364 51.695 52.037 0.036 0.000 0.871 445 A CB 1.671 20.688 19.000 0.029 0.000 1.400 445 A HN 2.506 nan 8.150 nan 0.000 0.455 446 A N -0.428 122.401 122.820 0.015 0.000 2.606 446 A HA 0.464 4.784 4.320 0.001 0.000 0.303 446 A C -0.931 176.654 177.584 0.001 0.000 0.981 446 A CA -0.109 51.934 52.037 0.010 0.000 0.742 446 A CB -0.222 18.785 19.000 0.012 0.000 1.229 446 A HN 1.159 nan 8.150 nan 0.000 0.401 447 N N 0.885 119.586 118.700 0.001 0.000 2.420 447 N HA 0.228 4.968 4.740 0.001 0.000 0.262 447 N C 1.023 176.530 175.510 -0.004 0.000 1.144 447 N CA -0.393 52.656 53.050 -0.003 0.000 0.952 447 N CB 0.564 39.050 38.487 -0.002 0.000 1.081 447 N HN 0.667 nan 8.380 nan 0.000 0.480 448 R N 1.826 122.322 120.500 -0.007 0.000 2.303 448 R HA -0.116 4.224 4.340 0.001 0.000 0.225 448 R C 0.139 176.436 176.300 -0.006 0.000 1.114 448 R CA 1.158 57.254 56.100 -0.008 0.000 1.007 448 R CB 0.213 30.507 30.300 -0.011 0.000 0.861 448 R HN 0.582 nan 8.270 nan 0.000 0.471 449 E N -2.035 118.163 120.200 -0.004 0.000 2.876 449 E HA 0.136 4.486 4.350 0.001 0.000 0.208 449 E C -0.452 176.148 176.600 -0.001 0.000 0.981 449 E CA 0.041 56.439 56.400 -0.003 0.000 1.174 449 E CB 1.112 30.810 29.700 -0.004 0.000 1.047 449 E HN 0.035 nan 8.360 nan 0.000 0.477 450 T N -0.642 113.912 114.554 -0.000 0.000 3.074 450 T HA 0.057 4.407 4.350 0.001 0.000 0.258 450 T C -0.378 174.324 174.700 0.003 0.000 0.891 450 T CA -0.234 61.866 62.100 0.001 0.000 0.867 450 T CB 0.517 69.386 68.868 0.002 0.000 1.261 450 T HN -0.108 nan 8.240 nan 0.000 0.537 451 K N 1.370 121.772 120.400 0.003 0.000 3.218 451 K HA -0.111 4.209 4.320 0.001 0.000 0.276 451 K C -0.429 176.176 176.600 0.009 0.000 1.173 451 K CA 0.396 56.686 56.287 0.006 0.000 0.812 451 K CB -2.631 29.872 32.500 0.006 0.000 1.275 451 K HN 0.689 nan 8.250 nan 0.000 0.504 452 L N -3.451 117.778 121.223 0.009 0.000 2.438 452 L HA 0.905 5.245 4.340 0.001 0.000 0.270 452 L C 0.203 177.081 176.870 0.013 0.000 0.972 452 L CA -0.416 54.431 54.840 0.012 0.000 0.831 452 L CB 2.558 44.623 42.059 0.010 0.000 1.273 452 L HN 0.089 nan 8.230 nan 0.000 0.405 453 G N 2.786 111.598 108.800 0.019 0.000 3.085 453 G HA2 0.729 4.689 3.960 0.001 0.000 0.264 453 G HA3 0.729 4.689 3.960 0.001 0.000 0.264 453 G C -1.599 173.317 174.900 0.026 0.000 1.206 453 G CA -0.896 44.217 45.100 0.021 0.000 0.809 453 G HN 0.565 nan 8.290 nan 0.000 0.592 454 K N -0.675 119.744 120.400 0.032 0.000 2.589 454 K HA 0.590 4.911 4.320 0.001 0.000 0.253 454 K C -1.145 175.485 176.600 0.051 0.000 0.974 454 K CA -0.434 55.875 56.287 0.036 0.000 0.835 454 K CB 2.304 34.819 32.500 0.023 0.000 1.272 454 K HN 0.713 nan 8.250 nan 0.000 0.444 455 A N 2.213 125.072 122.820 0.066 0.000 2.256 455 A HA 0.792 5.112 4.320 0.001 0.000 0.317 455 A C -0.017 177.630 177.584 0.104 0.000 1.318 455 A CA -0.161 51.933 52.037 0.094 0.000 0.894 455 A CB 0.691 19.758 19.000 0.111 0.000 1.165 455 A HN 0.763 nan 8.150 nan 0.000 0.525 456 G N 0.515 109.378 108.800 0.105 0.000 3.211 456 G HA2 0.771 4.732 3.960 0.001 0.000 0.262 456 G HA3 0.771 4.732 3.960 0.001 0.000 0.262 456 G C -1.013 174.013 174.900 0.210 0.000 1.352 456 G CA -0.453 44.691 45.100 0.074 0.000 1.004 456 G HN 1.558 nan 8.290 nan 0.000 0.559 457 Y N -2.148 118.227 120.300 0.125 0.000 2.573 457 Y HA 0.586 5.137 4.550 0.001 0.000 0.328 457 Y C -0.233 175.724 175.900 0.095 0.000 1.170 457 Y CA -0.976 57.228 58.100 0.172 0.000 1.078 457 Y CB 0.410 39.070 38.460 0.333 0.000 1.341 457 Y HN 0.882 nan 8.280 nan 0.000 0.459 458 V N -0.146 119.909 119.914 0.236 0.000 6.042 458 V HA 1.014 5.135 4.120 0.001 0.000 0.274 458 V C -0.444 175.678 176.094 0.047 0.000 1.560 458 V CA -0.086 62.253 62.300 0.065 0.000 0.633 458 V CB 1.111 32.910 31.823 -0.040 0.000 1.429 458 V HN 1.186 nan 8.190 nan 0.000 0.386 459 T N 0.895 115.411 114.554 -0.064 0.000 3.142 459 T HA 0.156 4.506 4.350 0.001 0.000 0.379 459 T C 0.097 174.737 174.700 -0.100 0.000 1.820 459 T CA 0.032 62.040 62.100 -0.153 0.000 1.086 459 T CB 0.419 69.118 68.868 -0.281 0.000 1.723 459 T HN 1.059 nan 8.240 nan 0.000 0.496 460 N N 1.082 119.747 118.700 -0.057 0.000 2.571 460 N HA -0.057 4.684 4.740 0.001 0.000 0.189 460 N C 0.607 176.089 175.510 -0.045 0.000 1.154 460 N CA 0.568 53.595 53.050 -0.038 0.000 0.907 460 N CB 0.163 38.658 38.487 0.013 0.000 0.977 460 N HN 0.556 nan 8.380 nan 0.000 0.449 461 K N -0.554 119.808 120.400 -0.062 0.000 2.414 461 K HA 0.223 4.544 4.320 0.001 0.000 0.204 461 K C 0.669 177.245 176.600 -0.040 0.000 1.026 461 K CA 0.287 56.548 56.287 -0.043 0.000 1.108 461 K CB 0.679 33.156 32.500 -0.038 0.000 0.855 461 K HN 0.268 nan 8.250 nan 0.000 0.517 462 G N 1.877 110.645 108.800 -0.052 0.000 2.299 462 G HA2 -0.327 3.633 3.960 0.001 0.000 0.237 462 G HA3 -0.327 3.633 3.960 0.001 0.000 0.237 462 G C 0.290 175.164 174.900 -0.043 0.000 1.027 462 G CA -0.097 44.976 45.100 -0.046 0.000 0.619 462 G HN 0.293 nan 8.290 nan 0.000 0.513 463 R N 0.316 120.798 120.500 -0.031 0.000 2.971 463 R HA 0.453 4.793 4.340 0.001 0.000 0.278 463 R C 0.458 176.731 176.300 -0.045 0.000 1.022 463 R CA 1.096 57.197 56.100 0.002 0.000 1.187 463 R CB 0.096 30.447 30.300 0.086 0.000 1.126 463 R HN 0.576 nan 8.270 nan 0.000 0.510 464 Q N -0.099 119.637 119.800 -0.107 0.000 2.766 464 Q HA 0.265 4.605 4.340 0.001 0.000 0.240 464 Q C -1.964 173.815 176.000 -0.367 0.000 0.993 464 Q CA -0.463 55.187 55.803 -0.256 0.000 1.006 464 Q CB 1.402 30.055 28.738 -0.142 0.000 1.804 464 Q HN 0.545 nan 8.270 nan 0.000 0.464 465 K N 1.414 121.470 120.400 -0.573 0.000 2.607 465 K HA 0.797 5.117 4.320 0.001 0.000 0.287 465 K C -2.239 174.183 176.600 -0.298 0.000 0.996 465 K CA -0.716 55.300 56.287 -0.451 0.000 0.876 465 K CB 2.532 34.672 32.500 -0.601 0.000 1.496 465 K HN 0.374 nan 8.250 nan 0.000 0.415 466 V N 3.080 122.918 119.914 -0.127 0.000 2.822 466 V HA 0.285 4.405 4.120 0.001 0.000 0.275 466 V C -1.269 174.824 176.094 -0.002 0.000 1.267 466 V CA -0.628 61.643 62.300 -0.047 0.000 0.933 466 V CB 1.263 33.059 31.823 -0.046 0.000 1.082 466 V HN 0.584 nan 8.190 nan 0.000 0.465 467 V N 4.996 124.929 119.914 0.032 0.000 3.036 467 V HA 0.858 4.979 4.120 0.001 0.000 0.308 467 V C -2.380 173.736 176.094 0.037 0.000 1.070 467 V CA -1.699 60.626 62.300 0.041 0.000 1.056 467 V CB 1.466 33.328 31.823 0.064 0.000 1.084 467 V HN 0.772 nan 8.190 nan 0.000 0.471 468 P HA 0.524 nan 4.420 nan 0.000 0.298 468 P C -0.987 176.334 177.300 0.034 0.000 1.365 468 P CA -0.303 62.815 63.100 0.029 0.000 0.835 468 P CB 0.827 32.541 31.700 0.022 0.000 0.948 469 L N 3.038 124.282 121.223 0.035 0.000 2.289 469 L HA 0.351 4.691 4.340 0.001 0.000 0.285 469 L C 2.037 178.924 176.870 0.029 0.000 1.049 469 L CA -0.300 54.563 54.840 0.038 0.000 0.804 469 L CB 1.464 43.549 42.059 0.044 0.000 1.195 469 L HN 0.376 nan 8.230 nan 0.000 0.428 470 T N -0.001 114.569 114.554 0.027 0.000 3.053 470 T HA -0.044 4.307 4.350 0.001 0.000 0.223 470 T C 0.659 175.370 174.700 0.018 0.000 1.015 470 T CA 0.521 62.634 62.100 0.021 0.000 1.655 470 T CB -0.390 68.490 68.868 0.019 0.000 1.279 470 T HN 0.692 nan 8.240 nan 0.000 0.431 471 N N 2.157 120.867 118.700 0.017 0.000 3.194 471 N HA 0.425 5.165 4.740 0.001 0.000 0.271 471 N C -0.812 174.708 175.510 0.016 0.000 1.308 471 N CA -0.754 52.304 53.050 0.014 0.000 1.042 471 N CB 0.777 39.270 38.487 0.011 0.000 1.310 471 N HN 0.662 nan 8.380 nan 0.000 0.502 472 T N -1.905 112.660 114.554 0.018 0.000 2.893 472 T HA 0.487 4.838 4.350 0.001 0.000 0.293 472 T C 0.178 174.887 174.700 0.015 0.000 1.027 472 T CA -0.852 61.261 62.100 0.021 0.000 0.988 472 T CB 1.538 70.426 68.868 0.033 0.000 1.043 472 T HN 0.336 nan 8.240 nan 0.000 0.461 473 T N 0.536 115.096 114.554 0.009 0.000 2.918 473 T HA 0.326 4.677 4.350 0.001 0.000 0.283 473 T C 1.165 175.865 174.700 -0.000 0.000 1.001 473 T CA -0.582 61.514 62.100 -0.006 0.000 1.041 473 T CB 0.685 69.537 68.868 -0.028 0.000 1.028 473 T HN 0.452 nan 8.240 nan 0.000 0.511 474 N N 1.296 119.992 118.700 -0.006 0.000 2.096 474 N HA -0.181 4.559 4.740 0.001 0.000 0.195 474 N C 1.674 177.187 175.510 0.005 0.000 1.017 474 N CA 1.704 54.759 53.050 0.008 0.000 0.870 474 N CB -0.546 37.941 38.487 0.000 0.000 1.024 474 N HN 0.749 nan 8.380 nan 0.000 0.434 475 Q N -0.467 119.284 119.800 -0.082 0.000 2.515 475 Q HA 0.086 4.427 4.340 0.001 0.000 0.214 475 Q C 1.009 177.025 176.000 0.026 0.000 0.971 475 Q CA 0.689 56.366 55.803 -0.210 0.000 0.952 475 Q CB 0.277 28.727 28.738 -0.479 0.000 0.999 475 Q HN 0.376 nan 8.270 nan 0.000 0.524 476 K N -1.640 118.799 120.400 0.064 0.000 2.556 476 K HA 0.018 4.338 4.320 0.001 0.000 0.201 476 K C 1.957 178.616 176.600 0.098 0.000 1.423 476 K CA 0.923 57.270 56.287 0.099 0.000 1.010 476 K CB 0.485 33.023 32.500 0.062 0.000 1.409 476 K HN 0.163 nan 8.250 nan 0.000 0.538 477 T N 0.144 114.747 114.554 0.081 0.000 2.915 477 T HA -0.063 4.287 4.350 0.001 0.000 0.269 477 T C 1.527 176.293 174.700 0.109 0.000 1.071 477 T CA 1.046 63.197 62.100 0.086 0.000 1.132 477 T CB 0.010 68.919 68.868 0.068 0.000 0.878 477 T HN -0.021 nan 8.240 nan 0.000 0.479 478 E N 1.321 121.598 120.200 0.128 0.000 2.107 478 E HA 0.122 4.472 4.350 0.001 0.000 0.191 478 E C 1.689 178.375 176.600 0.144 0.000 0.982 478 E CA 0.518 57.008 56.400 0.149 0.000 0.809 478 E CB -0.283 29.533 29.700 0.194 0.000 0.756 478 E HN 0.530 nan 8.360 nan 0.000 0.459 479 L N 1.196 122.511 121.223 0.153 0.000 2.873 479 L HA -0.015 4.325 4.340 0.001 0.000 0.252 479 L C 1.339 178.276 176.870 0.112 0.000 1.266 479 L CA 0.347 55.253 54.840 0.110 0.000 1.111 479 L CB -0.018 42.101 42.059 0.101 0.000 1.440 479 L HN 0.067 nan 8.230 nan 0.000 0.427 480 Q N -1.475 118.408 119.800 0.138 0.000 2.225 480 Q HA 0.185 4.526 4.340 0.001 0.000 0.230 480 Q C 1.923 178.023 176.000 0.168 0.000 0.729 480 Q CA 0.711 56.620 55.803 0.176 0.000 0.918 480 Q CB 0.200 29.023 28.738 0.142 0.000 1.262 480 Q HN 0.327 nan 8.270 nan 0.000 0.473 481 A N 0.941 123.848 122.820 0.144 0.000 1.940 481 A HA -0.136 4.184 4.320 0.001 0.000 0.219 481 A C 1.760 179.412 177.584 0.114 0.000 1.176 481 A CA 1.501 53.629 52.037 0.152 0.000 0.631 481 A CB -0.625 18.463 19.000 0.147 0.000 0.814 481 A HN 0.421 nan 8.150 nan 0.000 0.446 482 I N -2.545 118.078 120.570 0.090 0.000 2.130 482 I HA -0.202 3.968 4.170 0.001 0.000 0.232 482 I C 2.361 178.485 176.117 0.011 0.000 1.064 482 I CA 1.659 62.977 61.300 0.030 0.000 1.338 482 I CB -0.899 37.123 38.000 0.037 0.000 1.084 482 I HN 0.438 nan 8.210 nan 0.000 0.404 483 Y N 1.800 122.068 120.300 -0.054 0.000 2.073 483 Y HA -0.369 4.182 4.550 0.000 0.000 0.270 483 Y C 2.387 178.235 175.900 -0.086 0.000 1.226 483 Y CA 1.914 59.974 58.100 -0.067 0.000 1.117 483 Y CB -0.838 37.604 38.460 -0.029 0.000 0.939 483 Y HN 0.084 nan 8.280 nan 0.000 0.504 484 L N 0.534 121.681 121.223 -0.127 0.000 1.963 484 L HA -0.239 4.101 4.340 0.001 0.000 0.220 484 L C 2.612 179.265 176.870 -0.362 0.000 1.076 484 L CA 2.648 57.372 54.840 -0.193 0.000 0.772 484 L CB -1.587 40.514 42.059 0.069 0.000 0.892 484 L HN 0.321 nan 8.230 nan 0.000 0.435 485 A N -1.332 121.230 122.820 -0.430 0.000 2.194 485 A HA -0.194 4.127 4.320 0.001 0.000 0.220 485 A C 2.251 179.336 177.584 -0.832 0.000 1.162 485 A CA 1.828 53.300 52.037 -0.941 0.000 0.674 485 A CB -0.849 17.650 19.000 -0.834 0.000 0.789 485 A HN 0.553 nan 8.150 nan 0.000 0.470 486 L N -1.002 119.918 121.223 -0.505 0.000 2.162 486 L HA -0.178 4.163 4.340 0.001 0.000 0.205 486 L C 2.912 179.564 176.870 -0.364 0.000 1.086 486 L CA 1.314 55.923 54.840 -0.386 0.000 0.778 486 L CB -0.419 41.492 42.059 -0.247 0.000 0.928 486 L HN 0.637 nan 8.230 nan 0.000 0.446 487 Q N -0.757 118.795 119.800 -0.414 0.000 2.123 487 Q HA -0.111 4.229 4.340 0.001 0.000 0.196 487 Q C 0.731 176.605 176.000 -0.211 0.000 0.958 487 Q CA 1.044 56.666 55.803 -0.302 0.000 0.841 487 Q CB -0.184 28.354 28.738 -0.334 0.000 0.915 487 Q HN 0.348 nan 8.270 nan 0.000 0.455 488 D N 1.467 121.722 120.400 -0.241 0.000 2.340 488 D HA 0.024 4.664 4.640 0.001 0.000 0.220 488 D C 0.272 176.526 176.300 -0.076 0.000 1.039 488 D CA 0.371 54.311 54.000 -0.101 0.000 0.866 488 D CB 0.272 41.086 40.800 0.022 0.000 0.913 488 D HN 0.237 nan 8.370 nan 0.000 0.523 489 S N -1.319 114.243 115.700 -0.230 0.000 2.718 489 S HA 0.692 5.162 4.470 0.001 0.000 0.300 489 S C 1.080 175.639 174.600 -0.068 0.000 1.117 489 S CA -0.579 57.552 58.200 -0.116 0.000 1.002 489 S CB 2.036 65.056 63.200 -0.299 0.000 1.092 489 S HN 0.046 nan 8.310 nan 0.000 0.542 490 G N 0.132 108.929 108.800 -0.005 0.000 2.830 490 G HA2 0.274 4.235 3.960 0.001 0.000 0.172 490 G HA3 0.274 4.235 3.960 0.001 0.000 0.172 490 G C 0.404 175.293 174.900 -0.018 0.000 1.782 490 G CA 0.315 45.413 45.100 -0.002 0.000 0.900 490 G HN 0.579 nan 8.290 nan 0.000 0.389 491 L N -0.643 120.580 121.223 -0.000 0.000 2.685 491 L HA 0.384 4.725 4.340 0.001 0.000 0.235 491 L C 0.508 177.383 176.870 0.009 0.000 1.070 491 L CA 0.351 55.191 54.840 0.000 0.000 0.888 491 L CB 0.148 42.214 42.059 0.011 0.000 1.203 491 L HN 0.268 nan 8.230 nan 0.000 0.499 492 E N 1.515 121.728 120.200 0.021 0.000 2.186 492 E HA 0.565 4.915 4.350 0.001 0.000 0.255 492 E C -1.074 175.556 176.600 0.051 0.000 0.881 492 E CA -0.440 55.981 56.400 0.036 0.000 0.752 492 E CB 2.425 32.148 29.700 0.038 0.000 1.176 492 E HN 0.041 nan 8.360 nan 0.000 0.421 493 V N 0.369 120.315 119.914 0.053 0.000 3.001 493 V HA 0.619 4.739 4.120 0.001 0.000 0.314 493 V C -0.811 175.354 176.094 0.119 0.000 1.099 493 V CA -1.095 61.256 62.300 0.085 0.000 0.989 493 V CB 2.206 34.030 31.823 0.002 0.000 1.040 493 V HN 0.391 nan 8.190 nan 0.000 0.434 494 N N 2.197 120.997 118.700 0.167 0.000 2.417 494 N HA 0.733 5.473 4.740 0.001 0.000 0.274 494 N C -0.808 174.801 175.510 0.165 0.000 0.987 494 N CA -0.318 52.837 53.050 0.175 0.000 0.912 494 N CB 1.508 40.080 38.487 0.140 0.000 1.177 494 N HN 0.789 nan 8.380 nan 0.000 0.490 495 I N 0.736 121.369 120.570 0.105 0.000 2.750 495 I HA 0.625 4.795 4.170 0.001 0.000 0.308 495 I C -0.500 175.603 176.117 -0.023 0.000 1.016 495 I CA -1.206 60.125 61.300 0.051 0.000 1.098 495 I CB 1.841 39.840 38.000 -0.001 0.000 1.279 495 I HN -0.001 nan 8.210 nan 0.000 0.454 496 V N 2.707 122.584 119.914 -0.061 0.000 2.624 496 V HA 0.324 4.444 4.120 0.001 0.000 0.294 496 V C -0.507 175.553 176.094 -0.056 0.000 1.077 496 V CA -0.364 61.853 62.300 -0.137 0.000 0.905 496 V CB 1.744 33.305 31.823 -0.436 0.000 1.025 496 V HN 0.847 nan 8.190 nan 0.000 0.440 497 T N 2.626 117.171 114.554 -0.016 0.000 2.930 497 T HA 0.544 4.894 4.350 0.001 0.000 0.290 497 T C -0.858 173.815 174.700 -0.044 0.000 1.052 497 T CA -0.575 61.539 62.100 0.022 0.000 1.017 497 T CB 2.058 70.975 68.868 0.081 0.000 1.137 497 T HN 0.611 nan 8.240 nan 0.000 0.511 498 D N 0.944 121.326 120.400 -0.029 0.000 2.478 498 D HA 0.469 5.109 4.640 0.001 0.000 0.263 498 D C -0.143 176.277 176.300 0.200 0.000 1.153 498 D CA 0.163 54.119 54.000 -0.073 0.000 1.038 498 D CB 1.091 41.859 40.800 -0.052 0.000 1.120 498 D HN 0.812 nan 8.370 nan 0.000 0.564 499 S N -0.431 115.482 115.700 0.355 0.000 3.576 499 S HA -0.189 4.281 4.470 0.001 0.000 0.658 499 S C 0.691 175.531 174.600 0.401 0.000 0.560 499 S CA 0.429 58.848 58.200 0.365 0.000 1.438 499 S CB -1.851 61.508 63.200 0.264 0.000 0.937 499 S HN 0.557 nan 8.310 nan 0.000 0.998 500 Q N 1.594 121.591 119.800 0.328 0.000 2.268 500 Q HA -0.229 4.112 4.340 0.001 0.000 0.210 500 Q C 1.499 177.556 176.000 0.094 0.000 0.988 500 Q CA 2.154 57.984 55.803 0.046 0.000 0.883 500 Q CB -0.284 28.363 28.738 -0.152 0.000 0.911 500 Q HN 0.963 nan 8.270 nan 0.000 0.430 501 Y N 1.163 121.500 120.300 0.062 0.000 2.014 501 Y HA -0.363 4.187 4.550 0.001 0.000 0.272 501 Y C 2.329 178.257 175.900 0.046 0.000 1.164 501 Y CA 1.820 59.950 58.100 0.051 0.000 1.114 501 Y CB -0.755 37.743 38.460 0.064 0.000 0.961 501 Y HN 0.093 nan 8.280 nan 0.000 0.489 502 A N 0.304 123.108 122.820 -0.027 0.000 1.883 502 A HA -0.220 4.100 4.320 0.001 0.000 0.217 502 A C 2.240 179.756 177.584 -0.114 0.000 1.186 502 A CA 1.944 53.905 52.037 -0.126 0.000 0.624 502 A CB -1.431 17.604 19.000 0.059 0.000 0.822 502 A HN 0.599 nan 8.150 nan 0.000 0.444 503 L N 0.272 121.490 121.223 -0.008 0.000 1.971 503 L HA -0.097 4.244 4.340 0.001 0.000 0.215 503 L C 2.416 179.248 176.870 -0.063 0.000 1.072 503 L CA 2.638 57.470 54.840 -0.013 0.000 0.758 503 L CB -1.493 40.580 42.059 0.024 0.000 0.889 503 L HN 0.347 nan 8.230 nan 0.000 0.433 504 G N 0.221 108.967 108.800 -0.090 0.000 2.631 504 G HA2 -0.348 3.613 3.960 0.001 0.000 0.219 504 G HA3 -0.348 3.613 3.960 0.001 0.000 0.219 504 G C 1.616 176.482 174.900 -0.056 0.000 1.214 504 G CA 1.745 46.799 45.100 -0.077 0.000 0.785 504 G HN 0.542 nan 8.290 nan 0.000 0.596 505 I N 0.464 120.920 120.570 -0.190 0.000 2.127 505 I HA -0.159 4.011 4.170 0.001 0.000 0.241 505 I C 2.818 178.880 176.117 -0.091 0.000 1.075 505 I CA 1.092 62.260 61.300 -0.221 0.000 1.334 505 I CB -0.485 37.173 38.000 -0.570 0.000 1.040 505 I HN 0.177 nan 8.210 nan 0.000 0.405 506 I N 0.522 121.039 120.570 -0.088 0.000 2.142 506 I HA -0.324 3.846 4.170 0.001 0.000 0.240 506 I C 2.610 178.784 176.117 0.096 0.000 1.078 506 I CA 1.354 62.666 61.300 0.021 0.000 1.343 506 I CB -0.432 37.565 38.000 -0.004 0.000 1.046 506 I HN 0.268 nan 8.210 nan 0.000 0.405 507 Q N 1.241 121.074 119.800 0.056 0.000 2.534 507 Q HA -0.194 4.146 4.340 0.001 0.000 0.218 507 Q C 0.878 176.978 176.000 0.165 0.000 0.989 507 Q CA 1.521 57.372 55.803 0.081 0.000 0.903 507 Q CB -0.085 28.674 28.738 0.035 0.000 0.942 507 Q HN 0.542 nan 8.270 nan 0.000 0.501 508 A N -0.258 122.684 122.820 0.204 0.000 2.749 508 A HA 0.259 4.580 4.320 0.001 0.000 0.299 508 A C -0.464 177.291 177.584 0.286 0.000 1.105 508 A CA -0.429 51.793 52.037 0.308 0.000 0.987 508 A CB 0.161 19.385 19.000 0.373 0.000 1.180 508 A HN 0.351 nan 8.150 nan 0.000 0.528 509 Q N 0.942 120.874 119.800 0.220 0.000 2.335 509 Q HA -0.152 4.188 4.340 0.001 0.000 0.364 509 Q C -2.285 173.729 176.000 0.024 0.000 1.230 509 Q CA 0.743 56.562 55.803 0.025 0.000 1.189 509 Q CB -0.855 27.795 28.738 -0.145 0.000 1.358 509 Q HN 0.552 nan 8.270 nan 0.000 0.302 510 P HA 0.069 nan 4.420 nan 0.000 0.285 510 P C -0.502 176.901 177.300 0.172 0.000 1.259 510 P CA -0.253 62.928 63.100 0.135 0.000 0.794 510 P CB 1.306 33.102 31.700 0.161 0.000 0.940 511 D N 2.671 123.125 120.400 0.090 0.000 2.501 511 D HA 0.158 4.798 4.640 0.001 0.000 0.226 511 D C -0.156 176.145 176.300 0.002 0.000 1.198 511 D CA -0.423 53.626 54.000 0.081 0.000 0.830 511 D CB -0.159 40.670 40.800 0.048 0.000 1.014 511 D HN 0.495 nan 8.370 nan 0.000 0.496 512 K N -2.228 118.196 120.400 0.041 0.000 2.891 512 K HA 0.324 4.645 4.320 0.001 0.000 0.315 512 K C -1.947 174.692 176.600 0.065 0.000 1.197 512 K CA -0.720 55.577 56.287 0.018 0.000 0.974 512 K CB 0.273 32.755 32.500 -0.030 0.000 1.351 512 K HN -0.062 nan 8.250 nan 0.000 0.404 513 S N 1.574 117.315 115.700 0.070 0.000 2.548 513 S HA 0.313 4.784 4.470 0.001 0.000 0.286 513 S C -0.932 173.700 174.600 0.052 0.000 1.098 513 S CA -0.737 57.529 58.200 0.110 0.000 0.930 513 S CB 1.599 64.967 63.200 0.281 0.000 1.070 513 S HN 0.608 nan 8.310 nan 0.000 0.480 514 E N 2.275 122.486 120.200 0.019 0.000 1.896 514 E HA 0.291 4.642 4.350 0.001 0.000 0.276 514 E C -0.678 175.934 176.600 0.021 0.000 1.171 514 E CA -0.064 56.339 56.400 0.004 0.000 1.118 514 E CB 0.121 29.811 29.700 -0.018 0.000 1.077 514 E HN 0.444 nan 8.360 nan 0.000 0.452 515 S N 1.650 117.370 115.700 0.033 0.000 2.188 515 S HA -0.046 4.424 4.470 0.001 0.000 0.261 515 S C 0.484 175.092 174.600 0.013 0.000 0.745 515 S CA -0.653 57.573 58.200 0.042 0.000 0.907 515 S CB 0.340 63.603 63.200 0.105 0.000 1.276 515 S HN 0.550 nan 8.310 nan 0.000 0.393 516 E N 3.654 123.845 120.200 -0.014 0.000 2.086 516 E HA -0.200 4.150 4.350 0.001 0.000 0.205 516 E C 1.788 178.331 176.600 -0.094 0.000 1.027 516 E CA 1.881 58.252 56.400 -0.049 0.000 0.830 516 E CB -0.088 29.583 29.700 -0.048 0.000 0.751 516 E HN 0.685 nan 8.360 nan 0.000 0.456 517 L N 0.897 122.062 121.223 -0.095 0.000 1.956 517 L HA -0.199 4.142 4.340 0.001 0.000 0.216 517 L C 2.495 179.253 176.870 -0.186 0.000 1.073 517 L CA 1.838 56.574 54.840 -0.174 0.000 0.762 517 L CB -1.191 40.811 42.059 -0.096 0.000 0.889 517 L HN 0.216 nan 8.230 nan 0.000 0.433 518 V N 0.805 120.674 119.914 -0.075 0.000 2.250 518 V HA -0.389 3.732 4.120 0.001 0.000 0.250 518 V C 2.409 178.456 176.094 -0.078 0.000 1.060 518 V CA 2.211 64.474 62.300 -0.063 0.000 1.030 518 V CB -0.898 30.930 31.823 0.009 0.000 0.643 518 V HN 0.538 nan 8.190 nan 0.000 0.445 519 N N -0.399 118.266 118.700 -0.057 0.000 2.055 519 N HA -0.271 4.469 4.740 0.001 0.000 0.200 519 N C 1.799 177.246 175.510 -0.105 0.000 1.037 519 N CA 2.061 55.071 53.050 -0.067 0.000 0.881 519 N CB -0.508 37.941 38.487 -0.064 0.000 1.075 519 N HN 0.438 nan 8.380 nan 0.000 0.470 520 Q N 0.500 120.195 119.800 -0.174 0.000 2.028 520 Q HA -0.135 4.205 4.340 0.001 0.000 0.213 520 Q C 2.044 177.981 176.000 -0.106 0.000 1.017 520 Q CA 1.388 57.060 55.803 -0.218 0.000 0.875 520 Q CB -0.880 27.495 28.738 -0.604 0.000 0.962 520 Q HN 0.553 nan 8.270 nan 0.000 0.413 521 I N 0.408 120.879 120.570 -0.164 0.000 3.102 521 I HA -0.215 3.955 4.170 0.001 0.000 0.278 521 I C 1.352 177.433 176.117 -0.060 0.000 1.316 521 I CA 0.333 61.645 61.300 0.020 0.000 1.425 521 I CB -0.411 37.587 38.000 -0.003 0.000 1.073 521 I HN 0.174 nan 8.210 nan 0.000 0.503 522 I N 0.386 120.906 120.570 -0.084 0.000 2.364 522 I HA -0.103 4.067 4.170 0.001 0.000 0.241 522 I C 2.365 178.400 176.117 -0.136 0.000 1.082 522 I CA 1.083 62.307 61.300 -0.126 0.000 1.401 522 I CB -1.175 36.797 38.000 -0.047 0.000 1.126 522 I HN 0.101 nan 8.210 nan 0.000 0.429 523 E N 0.972 121.131 120.200 -0.069 0.000 2.070 523 E HA -0.299 4.051 4.350 0.001 0.000 0.197 523 E C 2.072 178.652 176.600 -0.034 0.000 1.004 523 E CA 1.575 57.951 56.400 -0.040 0.000 0.805 523 E CB -0.266 29.423 29.700 -0.018 0.000 0.744 523 E HN 0.295 nan 8.360 nan 0.000 0.451 524 Q N 0.307 120.101 119.800 -0.011 0.000 2.096 524 Q HA -0.190 4.151 4.340 0.001 0.000 0.208 524 Q C 1.936 177.884 176.000 -0.088 0.000 0.993 524 Q CA 1.638 57.428 55.803 -0.022 0.000 0.862 524 Q CB -0.253 28.503 28.738 0.030 0.000 0.915 524 Q HN 0.349 nan 8.270 nan 0.000 0.416 525 L N -0.884 120.231 121.223 -0.180 0.000 2.044 525 L HA -0.096 4.244 4.340 0.001 0.000 0.205 525 L C 2.298 179.063 176.870 -0.175 0.000 1.075 525 L CA 0.903 55.574 54.840 -0.282 0.000 0.747 525 L CB -0.454 41.196 42.059 -0.681 0.000 0.903 525 L HN 0.238 nan 8.230 nan 0.000 0.435 526 I N -0.185 120.308 120.570 -0.128 0.000 2.657 526 I HA -0.259 3.911 4.170 0.001 0.000 0.261 526 I C 2.488 178.660 176.117 0.091 0.000 1.212 526 I CA 0.927 62.287 61.300 0.100 0.000 1.453 526 I CB -0.153 37.964 38.000 0.195 0.000 1.092 526 I HN 0.223 nan 8.210 nan 0.000 0.452 527 K N 0.520 120.936 120.400 0.026 0.000 2.099 527 K HA 0.061 4.382 4.320 0.001 0.000 0.203 527 K C 1.257 177.869 176.600 0.019 0.000 1.047 527 K CA 0.501 56.804 56.287 0.027 0.000 0.963 527 K CB -0.031 32.473 32.500 0.006 0.000 0.759 527 K HN 0.062 nan 8.250 nan 0.000 0.451 528 K N 0.816 121.213 120.400 -0.005 0.000 2.298 528 K HA -0.157 4.163 4.320 0.001 0.000 0.252 528 K C 1.158 177.775 176.600 0.027 0.000 1.112 528 K CA 0.836 57.122 56.287 -0.002 0.000 0.786 528 K CB 0.069 32.556 32.500 -0.021 0.000 1.058 528 K HN 0.242 nan 8.250 nan 0.000 0.519 529 E N -0.516 119.704 120.200 0.034 0.000 2.581 529 E HA 0.084 4.435 4.350 0.001 0.000 0.195 529 E C -0.998 175.635 176.600 0.055 0.000 0.936 529 E CA 0.037 56.465 56.400 0.046 0.000 1.387 529 E CB 0.709 30.431 29.700 0.036 0.000 1.424 529 E HN 0.359 nan 8.360 nan 0.000 0.742 530 K N 1.020 121.453 120.400 0.056 0.000 2.589 530 K HA 0.246 4.566 4.320 0.001 0.000 0.298 530 K C -1.882 174.764 176.600 0.076 0.000 1.136 530 K CA -0.278 56.052 56.287 0.072 0.000 1.020 530 K CB 2.137 34.673 32.500 0.061 0.000 1.345 530 K HN -0.085 nan 8.250 nan 0.000 0.478 531 V N 3.746 123.719 119.914 0.097 0.000 2.444 531 V HA 0.342 4.463 4.120 0.001 0.000 0.294 531 V C -1.103 175.085 176.094 0.157 0.000 1.022 531 V CA -0.855 61.501 62.300 0.092 0.000 0.850 531 V CB 1.232 33.078 31.823 0.038 0.000 0.992 531 V HN 0.592 nan 8.190 nan 0.000 0.426 532 Y N 5.440 125.758 120.300 0.030 0.000 2.331 532 Y HA 0.656 5.206 4.550 0.001 0.000 0.338 532 Y C -0.595 175.321 175.900 0.028 0.000 0.992 532 Y CA -0.733 57.388 58.100 0.034 0.000 1.121 532 Y CB 1.459 39.937 38.460 0.029 0.000 1.184 532 Y HN 0.560 nan 8.280 nan 0.000 0.469 533 L N 6.205 127.160 121.223 -0.447 0.000 2.305 533 L HA 0.848 5.189 4.340 0.001 0.000 0.284 533 L C -0.974 175.637 176.870 -0.431 0.000 1.013 533 L CA -0.530 54.134 54.840 -0.293 0.000 0.819 533 L CB 0.883 42.851 42.059 -0.151 0.000 1.227 533 L HN 0.847 nan 8.230 nan 0.000 0.417 534 A N 4.411 127.114 122.820 -0.193 0.000 2.423 534 A HA 0.656 4.977 4.320 0.001 0.000 0.304 534 A C -2.050 175.584 177.584 0.084 0.000 1.104 534 A CA -0.519 51.479 52.037 -0.065 0.000 0.757 534 A CB 1.515 20.543 19.000 0.046 0.000 1.313 534 A HN 0.822 nan 8.150 nan 0.000 0.423 535 W N 1.315 122.579 121.300 -0.059 0.000 2.864 535 W HA 0.655 5.315 4.660 0.000 0.000 0.343 535 W C -1.245 175.272 176.519 -0.002 0.000 1.109 535 W CA -0.526 56.803 57.345 -0.028 0.000 1.192 535 W CB 1.952 31.396 29.460 -0.027 0.000 1.426 535 W HN 1.020 nan 8.180 nan 0.000 0.529 536 V N 1.375 120.590 119.914 -1.166 0.000 3.087 536 V HA 0.617 4.738 4.120 0.001 0.000 0.306 536 V C -2.819 172.208 176.094 -1.779 0.000 1.187 536 V CA -2.927 58.693 62.300 -1.133 0.000 0.999 536 V CB 1.471 33.030 31.823 -0.440 0.000 1.049 536 V HN 0.489 nan 8.190 nan 0.000 0.431 537 P HA 0.202 nan 4.420 nan 0.000 0.256 537 P C 0.903 178.001 177.300 -0.335 0.000 1.189 537 P CA 1.250 64.048 63.100 -0.504 0.000 0.808 537 P CB 0.358 31.986 31.700 -0.120 0.000 0.793 538 A N 4.548 127.217 122.820 -0.251 0.000 2.974 538 A HA -0.271 4.050 4.320 0.001 0.000 0.263 538 A C 1.141 178.715 177.584 -0.018 0.000 0.740 538 A CA 1.144 53.128 52.037 -0.088 0.000 1.231 538 A CB -1.695 17.337 19.000 0.053 0.000 0.669 538 A HN 0.637 nan 8.150 nan 0.000 0.472 539 H N 1.241 120.289 119.070 -0.036 0.000 3.356 539 H HA 0.327 4.883 4.556 0.001 0.000 0.260 539 H C 0.169 175.483 175.328 -0.023 0.000 1.570 539 H CA 0.736 56.770 56.048 -0.023 0.000 1.547 539 H CB -0.506 29.253 29.762 -0.005 0.000 1.774 539 H HN 0.454 nan 8.280 nan 0.000 0.542 540 K N 1.340 121.616 120.400 -0.207 0.000 2.263 540 K HA 0.373 4.693 4.320 0.001 0.000 0.249 540 K C 0.133 176.614 176.600 -0.198 0.000 1.076 540 K CA -0.864 55.317 56.287 -0.176 0.000 0.884 540 K CB 1.397 33.843 32.500 -0.091 0.000 1.394 540 K HN 0.436 nan 8.250 nan 0.000 0.476 541 G N 1.595 110.317 108.800 -0.130 0.000 3.458 541 G HA2 0.303 4.263 3.960 0.001 0.000 0.256 541 G HA3 0.303 4.263 3.960 0.001 0.000 0.256 541 G C -0.744 174.109 174.900 -0.077 0.000 0.938 541 G CA -0.055 44.981 45.100 -0.107 0.000 1.890 541 G HN 0.185 nan 8.290 nan 0.000 0.639 542 I N 1.256 121.778 120.570 -0.080 0.000 2.354 542 I HA 0.360 4.530 4.170 0.001 0.000 0.292 542 I C 1.109 177.204 176.117 -0.038 0.000 0.989 542 I CA -0.823 60.452 61.300 -0.042 0.000 1.188 542 I CB 1.734 39.713 38.000 -0.034 0.000 1.342 542 I HN 0.213 nan 8.210 nan 0.000 0.457 543 G N 3.957 112.736 108.800 -0.035 0.000 2.257 543 G HA2 0.321 4.281 3.960 0.001 0.000 0.235 543 G HA3 0.321 4.281 3.960 0.001 0.000 0.235 543 G C 0.970 175.767 174.900 -0.173 0.000 1.225 543 G CA 0.465 45.510 45.100 -0.092 0.000 0.878 543 G HN 1.220 nan 8.290 nan 0.000 0.505 544 G N 2.830 111.377 108.800 -0.423 0.000 5.353 544 G HA2 -0.435 3.525 3.960 0.001 0.000 0.283 544 G HA3 -0.435 3.525 3.960 0.001 0.000 0.283 544 G C 1.563 176.341 174.900 -0.203 0.000 1.457 544 G CA 1.156 45.723 45.100 -0.888 0.000 0.951 544 G HN 1.189 nan 8.290 nan 0.000 0.731 545 N N 1.527 120.323 118.700 0.160 0.000 2.091 545 N HA -0.130 4.611 4.740 0.001 0.000 0.193 545 N C 1.916 177.436 175.510 0.016 0.000 1.021 545 N CA 2.733 55.862 53.050 0.131 0.000 0.862 545 N CB -0.354 38.176 38.487 0.071 0.000 1.018 545 N HN 0.782 nan 8.380 nan 0.000 0.429 546 E N -0.349 119.824 120.200 -0.045 0.000 2.013 546 E HA -0.369 3.982 4.350 0.001 0.000 0.202 546 E C 1.856 178.429 176.600 -0.045 0.000 1.018 546 E CA 1.706 58.063 56.400 -0.073 0.000 0.834 546 E CB -0.357 29.284 29.700 -0.098 0.000 0.770 546 E HN 0.410 nan 8.360 nan 0.000 0.459 547 Q N 0.724 120.481 119.800 -0.072 0.000 1.998 547 Q HA -0.199 4.142 4.340 0.001 0.000 0.209 547 Q C 2.133 178.119 176.000 -0.024 0.000 1.002 547 Q CA 2.781 58.547 55.803 -0.062 0.000 0.858 547 Q CB -0.986 27.688 28.738 -0.106 0.000 0.932 547 Q HN 0.312 nan 8.270 nan 0.000 0.416 548 V N 1.667 121.579 119.914 -0.004 0.000 2.636 548 V HA -0.247 3.873 4.120 0.001 0.000 0.258 548 V C 1.965 178.088 176.094 0.047 0.000 1.092 548 V CA 1.990 64.315 62.300 0.040 0.000 1.110 548 V CB -0.945 30.943 31.823 0.109 0.000 0.685 548 V HN 0.435 nan 8.190 nan 0.000 0.481 549 D N 0.521 120.951 120.400 0.049 0.000 2.350 549 D HA -0.071 4.569 4.640 0.001 0.000 0.216 549 D C 0.932 177.270 176.300 0.063 0.000 0.968 549 D CA 0.568 54.615 54.000 0.080 0.000 0.894 549 D CB -0.057 40.817 40.800 0.124 0.000 0.909 549 D HN 0.511 nan 8.370 nan 0.000 0.520 550 K N 0.289 120.710 120.400 0.035 0.000 2.206 550 K HA 0.505 4.825 4.320 0.001 0.000 0.268 550 K C 0.147 176.754 176.600 0.013 0.000 1.111 550 K CA -0.228 56.071 56.287 0.021 0.000 0.955 550 K CB 0.809 33.313 32.500 0.006 0.000 1.406 550 K HN -0.014 nan 8.250 nan 0.000 0.427 551 L N 0.000 121.233 121.223 0.017 0.000 2.949 551 L HA 0.000 4.340 4.340 0.001 0.000 0.249 551 L CA 0.000 nan 54.840 nan 0.000 0.813 551 L CB 0.000 nan 42.059 nan 0.000 0.961 551 L HN 0.000 nan 8.230 nan 0.000 0.502