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 2p02_1_A DATA FIRST_RESID 38 DATA SEQUENCE GTFLFTSESV GEGHPDKICD QISDAVLDAH LQQDPDAKVA CETVAKTGMI DATA SEQUENCE LLAGEITSRA AVDYQKVVRE AVKHIGYDDS SKGFDYKTCN VLVALEQQSP DATA SEQUENCE DIAQGVHLDR NEEDIGAGDQ GLMFGYATDE TEECMPLTIV LAHKLNAKLA DATA SEQUENCE ELRRNGTLPW LRPDSKTQVT VQYMQDRGAV LPIRVHTIVI SVQHDEEVCL DATA SEQUENCE DEMRDALKEK VIKAVVPAKY LDEDTIYHLQ PSGRFVIGGP QGDAGLTGRK DATA SEQUENCE IIVDTYGGWG AHGGGAFSGK DYTKVDRSAA YAARWVAKSL VKGGLCRRVL DATA SEQUENCE VQVSYAIGVS HPLSISIFHY GTSQKSEREL LEIVKKNFDL RPGVIVRDLD DATA SEQUENCE LKKPIYQRTA AYGHFGRDSF PWEVPKKLKY 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 38 G HA2 0.000 nan 3.960 nan 0.000 0.244 38 G HA3 0.000 3.979 3.960 0.031 0.000 0.244 38 G C 0.000 175.030 174.900 0.216 0.000 0.946 38 G CA 0.000 45.188 45.100 0.147 0.000 0.502 39 T N -0.323 114.341 114.554 0.183 0.000 2.934 39 T HA 0.826 5.195 4.350 0.031 0.000 0.283 39 T C -0.337 174.530 174.700 0.278 0.000 1.005 39 T CA -0.754 61.450 62.100 0.173 0.000 1.041 39 T CB 1.913 70.826 68.868 0.076 0.000 1.042 39 T HN 1.066 nan 8.240 nan 0.000 0.505 40 F N -0.599 119.430 119.950 0.131 0.000 2.686 40 F HA 0.738 5.285 4.527 0.033 0.000 0.311 40 F C -1.974 173.916 175.800 0.149 0.000 1.128 40 F CA -1.760 56.304 58.000 0.107 0.000 0.946 40 F CB 1.055 40.112 39.000 0.095 0.000 1.336 40 F HN 0.553 nan 8.300 nan 0.000 0.457 41 L N 1.904 123.249 121.223 0.204 0.000 2.344 41 L HA 0.632 4.990 4.340 0.031 0.000 0.272 41 L C -1.323 175.725 176.870 0.296 0.000 1.035 41 L CA -0.771 54.127 54.840 0.097 0.000 0.807 41 L CB 1.863 43.849 42.059 -0.121 0.000 1.237 41 L HN 0.751 nan 8.230 nan 0.000 0.442 42 F N -0.127 119.906 119.950 0.137 0.000 2.608 42 F HA 0.465 5.010 4.527 0.030 0.000 0.309 42 F C -0.533 175.305 175.800 0.063 0.000 1.103 42 F CA -0.236 57.791 58.000 0.045 0.000 0.954 42 F CB 2.357 41.338 39.000 -0.031 0.000 1.267 42 F HN 0.283 nan 8.300 nan 0.000 0.444 43 T N 3.137 117.630 114.554 -0.102 0.000 2.841 43 T HA 0.665 5.034 4.350 0.031 0.000 0.283 43 T C -1.065 173.689 174.700 0.090 0.000 1.000 43 T CA -0.677 61.432 62.100 0.016 0.000 0.977 43 T CB 1.708 70.516 68.868 -0.100 0.000 0.979 43 T HN 0.493 nan 8.240 nan 0.000 0.446 44 S N 1.780 117.588 115.700 0.181 0.000 2.599 44 S HA 0.632 5.121 4.470 0.031 0.000 0.287 44 S C -0.754 173.899 174.600 0.089 0.000 1.105 44 S CA -1.171 57.128 58.200 0.165 0.000 0.899 44 S CB 2.024 65.385 63.200 0.268 0.000 1.100 44 S HN 0.878 nan 8.310 nan 0.000 0.482 45 E N -0.240 119.992 120.200 0.052 0.000 2.339 45 E HA 0.816 5.185 4.350 0.031 0.000 0.262 45 E C -0.848 175.752 176.600 -0.001 0.000 0.934 45 E CA -0.810 55.608 56.400 0.030 0.000 0.802 45 E CB 1.976 31.688 29.700 0.021 0.000 1.275 45 E HN 0.382 nan 8.360 nan 0.000 0.427 46 S N 0.066 115.780 115.700 0.023 0.000 2.651 46 S HA 0.654 5.143 4.470 0.031 0.000 0.279 46 S C -1.293 173.352 174.600 0.075 0.000 1.148 46 S CA -0.204 58.035 58.200 0.065 0.000 0.837 46 S CB 1.611 64.880 63.200 0.116 0.000 1.138 46 S HN 0.938 nan 8.310 nan 0.000 0.478 47 V N 0.102 120.056 119.914 0.066 0.000 3.102 47 V HA 1.020 5.158 4.120 0.031 0.000 0.312 47 V C 0.421 176.549 176.094 0.058 0.000 1.135 47 V CA -0.242 62.074 62.300 0.027 0.000 1.022 47 V CB 1.066 32.748 31.823 -0.234 0.000 1.056 47 V HN 1.089 nan 8.190 nan 0.000 0.436 48 G N 0.373 109.238 108.800 0.109 0.000 2.580 48 G HA2 0.442 4.420 3.960 0.031 0.000 0.278 48 G HA3 0.442 4.420 3.960 0.031 0.000 0.278 48 G C 0.220 175.113 174.900 -0.011 0.000 1.212 48 G CA -0.025 45.110 45.100 0.058 0.000 0.939 48 G HN 0.941 nan 8.290 nan 0.000 0.513 49 E N -0.333 119.822 120.200 -0.076 0.000 2.204 49 E HA -0.080 4.289 4.350 0.031 0.000 0.195 49 E C 2.205 178.825 176.600 0.032 0.000 0.990 49 E CA 0.960 57.319 56.400 -0.068 0.000 0.821 49 E CB 0.040 29.713 29.700 -0.045 0.000 0.750 49 E HN 0.493 nan 8.360 nan 0.000 0.477 50 G N 0.038 108.876 108.800 0.063 0.000 3.189 50 G HA2 -0.093 3.886 3.960 0.031 0.000 0.225 50 G HA3 -0.093 3.886 3.960 0.031 0.000 0.225 50 G C 0.204 175.229 174.900 0.208 0.000 1.159 50 G CA -0.384 44.811 45.100 0.159 0.000 0.763 50 G HN 0.205 nan 8.290 nan 0.000 0.549 51 H N 1.582 120.708 119.070 0.093 0.000 2.964 51 H HA 0.062 4.637 4.556 0.032 0.000 0.328 51 H C -1.525 173.832 175.328 0.048 0.000 1.030 51 H CA -1.046 55.059 56.048 0.094 0.000 1.445 51 H CB 1.903 31.710 29.762 0.074 0.000 1.449 51 H HN -0.038 nan 8.280 nan 0.000 0.581 52 P HA -0.145 nan 4.420 nan 0.000 0.216 52 P C 1.009 178.301 177.300 -0.014 0.000 1.150 52 P CA 1.213 64.195 63.100 -0.196 0.000 0.837 52 P CB 0.408 31.954 31.700 -0.256 0.000 0.786 53 D N -0.606 119.901 120.400 0.179 0.000 2.117 53 D HA -0.135 4.523 4.640 0.031 0.000 0.198 53 D C 1.866 178.261 176.300 0.157 0.000 0.982 53 D CA 1.251 55.370 54.000 0.199 0.000 0.828 53 D CB -0.378 40.575 40.800 0.255 0.000 0.967 53 D HN 0.048 nan 8.370 nan 0.000 0.464 54 K N 0.567 121.106 120.400 0.232 0.000 2.148 54 K HA 0.027 4.366 4.320 0.031 0.000 0.204 54 K C 2.094 178.736 176.600 0.069 0.000 1.050 54 K CA 0.243 56.593 56.287 0.106 0.000 0.942 54 K CB -0.322 32.218 32.500 0.066 0.000 0.724 54 K HN 0.163 nan 8.250 nan 0.000 0.446 55 I N -0.179 120.428 120.570 0.062 0.000 2.151 55 I HA -0.435 3.754 4.170 0.031 0.000 0.243 55 I C 2.064 178.193 176.117 0.019 0.000 1.080 55 I CA 1.200 62.513 61.300 0.021 0.000 1.339 55 I CB -0.377 37.589 38.000 -0.056 0.000 1.039 55 I HN 0.194 nan 8.210 nan 0.000 0.409 56 C N 0.508 119.817 119.300 0.015 0.000 2.432 56 C HA -0.168 4.311 4.460 0.031 0.000 0.277 56 C C 2.496 177.508 174.990 0.037 0.000 1.249 56 C CA 0.704 59.733 59.018 0.019 0.000 1.725 56 C CB -1.036 26.711 27.740 0.012 0.000 2.028 56 C HN 0.529 nan 8.230 nan 0.000 0.477 57 D N 0.321 120.750 120.400 0.048 0.000 2.123 57 D HA -0.156 4.502 4.640 0.031 0.000 0.196 57 D C 2.252 178.595 176.300 0.072 0.000 0.992 57 D CA 1.388 55.428 54.000 0.066 0.000 0.833 57 D CB -0.533 40.319 40.800 0.085 0.000 0.954 57 D HN 0.625 nan 8.370 nan 0.000 0.455 58 Q N -0.042 119.794 119.800 0.061 0.000 2.079 58 Q HA -0.057 4.302 4.340 0.031 0.000 0.200 58 Q C 2.492 178.531 176.000 0.065 0.000 0.974 58 Q CA 0.705 56.545 55.803 0.061 0.000 0.840 58 Q CB 0.039 28.812 28.738 0.057 0.000 0.898 58 Q HN 0.338 nan 8.270 nan 0.000 0.430 59 I N 0.065 120.672 120.570 0.062 0.000 2.202 59 I HA -0.267 3.922 4.170 0.031 0.000 0.242 59 I C 2.271 178.434 176.117 0.077 0.000 1.091 59 I CA 0.819 62.162 61.300 0.071 0.000 1.368 59 I CB -0.200 37.840 38.000 0.066 0.000 1.058 59 I HN 0.087 nan 8.210 nan 0.000 0.410 60 S N 0.375 116.113 115.700 0.062 0.000 2.370 60 S HA -0.218 4.270 4.470 0.031 0.000 0.226 60 S C 1.604 176.243 174.600 0.066 0.000 1.033 60 S CA 1.592 59.825 58.200 0.055 0.000 1.011 60 S CB -0.289 62.931 63.200 0.033 0.000 0.852 60 S HN 0.435 nan 8.310 nan 0.000 0.457 61 D N 1.008 121.454 120.400 0.078 0.000 2.234 61 D HA 0.149 4.807 4.640 0.031 0.000 0.205 61 D C 2.044 178.413 176.300 0.115 0.000 0.962 61 D CA 0.827 54.887 54.000 0.100 0.000 0.855 61 D CB -0.317 40.565 40.800 0.136 0.000 0.951 61 D HN 0.363 nan 8.370 nan 0.000 0.500 62 A N 0.579 123.455 122.820 0.094 0.000 1.902 62 A HA -0.131 4.208 4.320 0.031 0.000 0.217 62 A C 2.476 180.124 177.584 0.107 0.000 1.181 62 A CA 1.060 53.147 52.037 0.083 0.000 0.623 62 A CB -0.651 18.387 19.000 0.064 0.000 0.818 62 A HN 0.132 nan 8.150 nan 0.000 0.443 63 V N -0.202 119.797 119.914 0.142 0.000 2.295 63 V HA -0.229 3.909 4.120 0.031 0.000 0.246 63 V C 2.488 178.733 176.094 0.251 0.000 1.049 63 V CA 1.929 64.362 62.300 0.222 0.000 1.024 63 V CB -0.834 31.150 31.823 0.269 0.000 0.648 63 V HN 0.614 nan 8.190 nan 0.000 0.447 64 L N 0.594 121.919 121.223 0.170 0.000 1.989 64 L HA -0.219 4.140 4.340 0.031 0.000 0.211 64 L C 2.100 179.080 176.870 0.184 0.000 1.071 64 L CA 2.261 57.185 54.840 0.140 0.000 0.749 64 L CB -1.026 41.043 42.059 0.017 0.000 0.890 64 L HN 0.303 nan 8.230 nan 0.000 0.431 65 D N -0.155 120.350 120.400 0.176 0.000 2.117 65 D HA -0.156 4.503 4.640 0.031 0.000 0.197 65 D C 2.208 178.566 176.300 0.097 0.000 0.987 65 D CA 1.538 55.634 54.000 0.159 0.000 0.829 65 D CB -0.263 40.613 40.800 0.127 0.000 0.961 65 D HN 0.534 nan 8.370 nan 0.000 0.460 66 A N 0.740 123.596 122.820 0.060 0.000 1.908 66 A HA -0.226 4.112 4.320 0.031 0.000 0.218 66 A C 2.004 179.534 177.584 -0.090 0.000 1.181 66 A CA 1.399 53.412 52.037 -0.039 0.000 0.627 66 A CB -0.766 18.175 19.000 -0.098 0.000 0.818 66 A HN 0.325 nan 8.150 nan 0.000 0.445 67 H N -0.332 118.754 119.070 0.028 0.000 2.321 67 H HA -0.037 4.538 4.556 0.031 0.000 0.300 67 H C 2.094 177.443 175.328 0.034 0.000 1.087 67 H CA 1.797 57.861 56.048 0.026 0.000 1.319 67 H CB -0.302 29.484 29.762 0.041 0.000 1.379 67 H HN 0.413 nan 8.280 nan 0.000 0.501 68 L N 0.685 122.012 121.223 0.173 0.000 2.191 68 L HA -0.197 4.162 4.340 0.031 0.000 0.212 68 L C 2.580 179.499 176.870 0.082 0.000 1.103 68 L CA 0.891 55.811 54.840 0.133 0.000 0.769 68 L CB -0.349 41.811 42.059 0.168 0.000 0.908 68 L HN 0.259 nan 8.230 nan 0.000 0.438 69 Q N -0.462 119.371 119.800 0.054 0.000 2.170 69 Q HA -0.243 4.116 4.340 0.031 0.000 0.203 69 Q C 2.120 178.127 176.000 0.012 0.000 0.976 69 Q CA 1.520 57.337 55.803 0.022 0.000 0.858 69 Q CB 0.014 28.752 28.738 0.000 0.000 0.907 69 Q HN 0.598 nan 8.270 nan 0.000 0.433 70 Q N -0.739 119.066 119.800 0.009 0.000 2.349 70 Q HA 0.013 4.372 4.340 0.031 0.000 0.209 70 Q C -0.105 175.912 176.000 0.029 0.000 0.920 70 Q CA 0.361 56.167 55.803 0.006 0.000 0.901 70 Q CB 0.831 29.555 28.738 -0.022 0.000 1.021 70 Q HN 0.041 nan 8.270 nan 0.000 0.519 71 D N -0.346 120.088 120.400 0.056 0.000 2.358 71 D HA 0.180 4.839 4.640 0.031 0.000 0.253 71 D C -2.306 174.039 176.300 0.075 0.000 1.288 71 D CA -2.082 51.957 54.000 0.065 0.000 0.950 71 D CB 1.546 42.396 40.800 0.083 0.000 1.197 71 D HN -0.217 nan 8.370 nan 0.000 0.550 72 P HA -0.026 nan 4.420 nan 0.000 0.221 72 P C 0.225 177.582 177.300 0.095 0.000 1.145 72 P CA 0.844 63.989 63.100 0.075 0.000 0.795 72 P CB 0.373 32.104 31.700 0.050 0.000 0.775 73 D N -1.168 119.275 120.400 0.072 0.000 2.388 73 D HA 0.178 4.837 4.640 0.031 0.000 0.221 73 D C 0.546 176.845 176.300 -0.001 0.000 1.133 73 D CA -0.074 53.961 54.000 0.059 0.000 0.831 73 D CB -0.016 40.805 40.800 0.036 0.000 0.962 73 D HN 0.054 nan 8.370 nan 0.000 0.502 74 A N 1.292 124.126 122.820 0.022 0.000 2.565 74 A HA 0.028 4.367 4.320 0.031 0.000 0.237 74 A C 0.586 178.110 177.584 -0.099 0.000 1.053 74 A CA 0.310 52.335 52.037 -0.021 0.000 0.755 74 A CB 0.427 19.448 19.000 0.037 0.000 0.980 74 A HN -0.140 nan 8.150 nan 0.000 0.506 75 K N 2.197 122.509 120.400 -0.147 0.000 2.281 75 K HA 0.493 4.832 4.320 0.031 0.000 0.272 75 K C -1.131 175.367 176.600 -0.170 0.000 1.048 75 K CA -0.260 55.919 56.287 -0.179 0.000 0.898 75 K CB 1.339 33.740 32.500 -0.166 0.000 1.128 75 K HN 0.370 nan 8.250 nan 0.000 0.460 76 V N 1.184 120.996 119.914 -0.170 0.000 2.638 76 V HA 0.643 4.782 4.120 0.031 0.000 0.306 76 V C -0.459 175.553 176.094 -0.138 0.000 1.052 76 V CA -1.038 61.162 62.300 -0.167 0.000 0.885 76 V CB 1.844 33.575 31.823 -0.154 0.000 0.999 76 V HN 0.749 nan 8.190 nan 0.000 0.424 77 A N 3.066 125.818 122.820 -0.113 0.000 3.300 77 A HA 0.490 4.829 4.320 0.031 0.000 0.300 77 A C -0.579 176.960 177.584 -0.075 0.000 1.099 77 A CA -0.232 51.750 52.037 -0.092 0.000 0.846 77 A CB 0.568 19.519 19.000 -0.082 0.000 1.255 77 A HN 0.849 nan 8.150 nan 0.000 0.519 78 C N 2.682 121.944 119.300 -0.063 0.000 2.239 78 C HA 0.633 5.111 4.460 0.031 0.000 0.325 78 C C -0.288 174.681 174.990 -0.035 0.000 1.231 78 C CA -0.430 58.560 59.018 -0.048 0.000 1.652 78 C CB -0.304 27.426 27.740 -0.017 0.000 2.284 78 C HN 0.707 nan 8.230 nan 0.000 0.499 79 E N 3.609 123.786 120.200 -0.039 0.000 2.277 79 E HA 0.433 4.802 4.350 0.031 0.000 0.274 79 E C -0.175 176.412 176.600 -0.023 0.000 1.022 79 E CA -0.032 56.351 56.400 -0.028 0.000 0.853 79 E CB 1.627 31.308 29.700 -0.031 0.000 1.086 79 E HN 0.668 nan 8.360 nan 0.000 0.397 80 T N 0.947 115.496 114.554 -0.010 0.000 2.863 80 T HA 0.505 4.874 4.350 0.031 0.000 0.285 80 T C -0.376 174.321 174.700 -0.004 0.000 1.009 80 T CA -0.621 61.477 62.100 -0.002 0.000 0.989 80 T CB 1.469 70.344 68.868 0.012 0.000 1.004 80 T HN 0.111 nan 8.240 nan 0.000 0.455 81 V N 1.777 121.691 119.914 -0.001 0.000 2.588 81 V HA 0.864 5.003 4.120 0.031 0.000 0.304 81 V C -0.363 175.734 176.094 0.006 0.000 1.042 81 V CA -0.926 61.373 62.300 -0.002 0.000 0.877 81 V CB 1.662 33.484 31.823 -0.003 0.000 0.996 81 V HN 1.113 nan 8.190 nan 0.000 0.425 82 A N 4.028 126.843 122.820 -0.009 0.000 2.356 82 A HA 0.969 5.308 4.320 0.031 0.000 0.310 82 A C -0.756 176.829 177.584 0.001 0.000 1.075 82 A CA -0.598 51.432 52.037 -0.012 0.000 0.746 82 A CB 1.937 20.873 19.000 -0.108 0.000 1.221 82 A HN 0.710 nan 8.150 nan 0.000 0.443 83 K N 0.390 120.828 120.400 0.063 0.000 2.466 83 K HA 0.631 4.969 4.320 0.031 0.000 0.277 83 K C -0.496 176.191 176.600 0.146 0.000 1.039 83 K CA -0.409 55.915 56.287 0.061 0.000 0.904 83 K CB 1.026 33.545 32.500 0.032 0.000 1.506 83 K HN 0.533 nan 8.250 nan 0.000 0.441 84 T N 1.404 116.018 114.554 0.101 0.000 2.765 84 T HA 0.250 4.619 4.350 0.031 0.000 0.275 84 T C 0.971 175.697 174.700 0.043 0.000 1.007 84 T CA 1.728 63.885 62.100 0.094 0.000 1.175 84 T CB -0.679 68.206 68.868 0.029 0.000 0.993 84 T HN 0.870 nan 8.240 nan 0.000 0.510 85 G N 3.077 111.830 108.800 -0.078 0.000 2.175 85 G HA2 -0.289 3.689 3.960 0.031 0.000 0.265 85 G HA3 -0.289 3.689 3.960 0.031 0.000 0.265 85 G C -0.038 174.783 174.900 -0.132 0.000 0.979 85 G CA 0.517 45.442 45.100 -0.292 0.000 0.663 85 G HN 0.765 nan 8.290 nan 0.000 0.533 86 M N 0.595 120.265 119.600 0.117 0.000 2.326 86 M HA 0.656 5.155 4.480 0.031 0.000 0.292 86 M C -1.485 174.956 176.300 0.234 0.000 1.081 86 M CA -1.028 54.351 55.300 0.132 0.000 0.919 86 M CB 1.392 34.035 32.600 0.073 0.000 1.634 86 M HN -0.074 nan 8.290 nan 0.000 0.451 87 I N 5.845 126.529 120.570 0.190 0.000 2.389 87 I HA 0.405 4.594 4.170 0.031 0.000 0.288 87 I C -1.038 175.123 176.117 0.073 0.000 0.999 87 I CA -0.721 60.660 61.300 0.136 0.000 1.129 87 I CB 1.416 39.511 38.000 0.157 0.000 1.288 87 I HN 0.643 nan 8.210 nan 0.000 0.444 88 L N 7.945 129.192 121.223 0.040 0.000 2.322 88 L HA 0.577 4.936 4.340 0.031 0.000 0.281 88 L C -1.120 175.743 176.870 -0.011 0.000 1.014 88 L CA -0.203 54.643 54.840 0.010 0.000 0.815 88 L CB 1.369 43.430 42.059 0.003 0.000 1.247 88 L HN 0.388 nan 8.230 nan 0.000 0.421 89 L N 5.688 126.885 121.223 -0.042 0.000 2.282 89 L HA 0.855 5.214 4.340 0.031 0.000 0.288 89 L C -0.110 176.705 176.870 -0.091 0.000 1.033 89 L CA -0.533 54.259 54.840 -0.079 0.000 0.807 89 L CB 1.375 43.339 42.059 -0.159 0.000 1.209 89 L HN 0.839 nan 8.230 nan 0.000 0.423 90 A N 2.436 125.211 122.820 -0.074 0.000 2.422 90 A HA 0.972 5.311 4.320 0.031 0.000 0.302 90 A C -0.086 177.458 177.584 -0.067 0.000 1.041 90 A CA 0.164 52.161 52.037 -0.067 0.000 0.708 90 A CB 1.934 20.907 19.000 -0.045 0.000 1.257 90 A HN 0.894 nan 8.150 nan 0.000 0.414 91 G N 0.709 109.468 108.800 -0.067 0.000 2.291 91 G HA2 0.446 4.425 3.960 0.031 0.000 0.249 91 G HA3 0.446 4.425 3.960 0.031 0.000 0.249 91 G C -1.817 173.044 174.900 -0.066 0.000 1.340 91 G CA -0.507 44.555 45.100 -0.063 0.000 1.017 91 G HN 0.889 nan 8.290 nan 0.000 0.470 92 E N -0.372 119.787 120.200 -0.068 0.000 2.260 92 E HA 0.724 5.092 4.350 0.031 0.000 0.266 92 E C -0.713 175.837 176.600 -0.083 0.000 0.887 92 E CA -0.307 56.055 56.400 -0.063 0.000 0.777 92 E CB 2.241 31.910 29.700 -0.050 0.000 1.205 92 E HN 0.614 nan 8.360 nan 0.000 0.414 93 I N 1.985 122.504 120.570 -0.085 0.000 2.534 93 I HA 0.401 4.590 4.170 0.031 0.000 0.288 93 I C -0.807 175.258 176.117 -0.088 0.000 1.077 93 I CA -0.687 60.530 61.300 -0.138 0.000 1.051 93 I CB 2.500 40.372 38.000 -0.214 0.000 1.234 93 I HN 0.336 nan 8.210 nan 0.000 0.425 94 T N 3.799 118.300 114.554 -0.090 0.000 2.815 94 T HA 0.529 4.897 4.350 0.031 0.000 0.289 94 T C -0.624 174.049 174.700 -0.045 0.000 1.000 94 T CA -0.567 61.511 62.100 -0.037 0.000 0.958 94 T CB 1.315 70.180 68.868 -0.004 0.000 0.944 94 T HN 0.590 nan 8.240 nan 0.000 0.442 95 S N 2.017 117.720 115.700 0.006 0.000 2.537 95 S HA 0.387 4.876 4.470 0.031 0.000 0.271 95 S C 0.289 174.947 174.600 0.095 0.000 1.148 95 S CA -0.818 57.417 58.200 0.058 0.000 0.868 95 S CB 1.348 64.621 63.200 0.122 0.000 1.115 95 S HN 0.658 nan 8.310 nan 0.000 0.461 96 R N 1.266 121.817 120.500 0.085 0.000 2.299 96 R HA 0.293 4.652 4.340 0.031 0.000 0.197 96 R C 0.997 177.337 176.300 0.066 0.000 0.971 96 R CA 0.619 56.759 56.100 0.066 0.000 1.030 96 R CB -0.138 30.189 30.300 0.045 0.000 0.932 96 R HN 0.614 nan 8.270 nan 0.000 0.477 97 A N 1.260 124.141 122.820 0.102 0.000 2.425 97 A HA 0.501 4.839 4.320 0.031 0.000 0.242 97 A C -0.050 177.520 177.584 -0.022 0.000 1.077 97 A CA -0.138 51.911 52.037 0.019 0.000 0.781 97 A CB 0.360 19.336 19.000 -0.040 0.000 1.020 97 A HN 0.292 nan 8.150 nan 0.000 0.494 98 A N 1.807 124.575 122.820 -0.087 0.000 2.277 98 A HA 0.578 4.917 4.320 0.031 0.000 0.318 98 A C -0.603 176.848 177.584 -0.222 0.000 1.339 98 A CA -0.388 51.584 52.037 -0.110 0.000 0.875 98 A CB 0.339 19.300 19.000 -0.065 0.000 1.158 98 A HN 0.908 nan 8.150 nan 0.000 0.514 99 V N 2.720 122.417 119.914 -0.362 0.000 2.459 99 V HA 0.275 4.413 4.120 0.031 0.000 0.295 99 V C -0.459 175.293 176.094 -0.571 0.000 1.029 99 V CA -0.626 61.343 62.300 -0.552 0.000 0.874 99 V CB 1.879 33.167 31.823 -0.893 0.000 0.985 99 V HN 0.877 nan 8.190 nan 0.000 0.438 100 D N 3.400 123.581 120.400 -0.365 0.000 2.468 100 D HA 0.180 4.838 4.640 0.031 0.000 0.218 100 D C 0.527 176.718 176.300 -0.182 0.000 1.155 100 D CA -0.109 53.760 54.000 -0.218 0.000 0.924 100 D CB 0.573 41.312 40.800 -0.101 0.000 1.029 100 D HN 0.473 nan 8.370 nan 0.000 0.515 101 Y N 1.691 122.003 120.300 0.020 0.000 2.224 101 Y HA -0.195 4.374 4.550 0.031 0.000 0.289 101 Y C 2.414 178.341 175.900 0.045 0.000 1.146 101 Y CA 0.888 59.011 58.100 0.037 0.000 1.182 101 Y CB -0.139 38.351 38.460 0.049 0.000 0.983 101 Y HN 0.405 nan 8.280 nan 0.000 0.524 102 Q N 0.542 120.447 119.800 0.175 0.000 2.061 102 Q HA -0.245 4.113 4.340 0.031 0.000 0.204 102 Q C 2.299 178.366 176.000 0.111 0.000 0.984 102 Q CA 1.719 57.600 55.803 0.130 0.000 0.846 102 Q CB -0.448 28.348 28.738 0.096 0.000 0.902 102 Q HN 0.512 nan 8.270 nan 0.000 0.421 103 K N 0.446 120.890 120.400 0.073 0.000 2.025 103 K HA -0.098 4.241 4.320 0.031 0.000 0.207 103 K C 2.113 178.748 176.600 0.059 0.000 1.049 103 K CA 1.103 57.426 56.287 0.059 0.000 0.933 103 K CB 0.101 32.613 32.500 0.021 0.000 0.714 103 K HN -0.011 nan 8.250 nan 0.000 0.438 104 V N 0.970 120.913 119.914 0.049 0.000 2.295 104 V HA -0.226 3.913 4.120 0.031 0.000 0.246 104 V C 2.385 178.533 176.094 0.090 0.000 1.049 104 V CA 1.520 63.852 62.300 0.053 0.000 1.024 104 V CB -0.160 31.692 31.823 0.047 0.000 0.648 104 V HN 0.170 nan 8.190 nan 0.000 0.447 105 V N -0.084 119.908 119.914 0.130 0.000 2.295 105 V HA -0.257 3.882 4.120 0.031 0.000 0.246 105 V C 2.576 178.760 176.094 0.149 0.000 1.049 105 V CA 2.168 64.553 62.300 0.141 0.000 1.024 105 V CB -0.757 31.161 31.823 0.158 0.000 0.648 105 V HN 0.470 nan 8.190 nan 0.000 0.447 106 R N -0.175 120.424 120.500 0.165 0.000 2.092 106 R HA -0.126 4.233 4.340 0.031 0.000 0.231 106 R C 2.413 178.776 176.300 0.105 0.000 1.119 106 R CA 1.515 57.751 56.100 0.225 0.000 0.970 106 R CB -0.372 30.098 30.300 0.284 0.000 0.864 106 R HN 0.501 nan 8.270 nan 0.000 0.440 107 E N 0.413 120.636 120.200 0.039 0.000 2.110 107 E HA -0.124 4.245 4.350 0.031 0.000 0.193 107 E C 2.013 178.598 176.600 -0.025 0.000 0.988 107 E CA 0.923 57.293 56.400 -0.050 0.000 0.804 107 E CB -0.306 29.381 29.700 -0.021 0.000 0.745 107 E HN 0.564 nan 8.360 nan 0.000 0.458 108 A N 0.562 123.403 122.820 0.035 0.000 1.902 108 A HA -0.124 4.215 4.320 0.031 0.000 0.217 108 A C 2.566 180.211 177.584 0.102 0.000 1.181 108 A CA 1.617 53.694 52.037 0.065 0.000 0.623 108 A CB -0.689 18.353 19.000 0.070 0.000 0.818 108 A HN 0.343 nan 8.150 nan 0.000 0.443 109 V N 0.392 120.377 119.914 0.118 0.000 2.358 109 V HA -0.265 3.874 4.120 0.031 0.000 0.246 109 V C 2.514 178.688 176.094 0.134 0.000 1.047 109 V CA 2.319 64.731 62.300 0.186 0.000 1.035 109 V CB -0.704 31.310 31.823 0.318 0.000 0.658 109 V HN 0.706 nan 8.190 nan 0.000 0.452 110 K N 0.027 120.357 120.400 -0.116 0.000 2.032 110 K HA -0.310 4.028 4.320 0.031 0.000 0.209 110 K C 2.262 178.783 176.600 -0.132 0.000 1.048 110 K CA 2.350 58.378 56.287 -0.432 0.000 0.927 110 K CB -0.359 31.497 32.500 -1.073 0.000 0.712 110 K HN 0.637 nan 8.250 nan 0.000 0.441 111 H N 0.398 119.388 119.070 -0.133 0.000 2.352 111 H HA -0.069 4.505 4.556 0.031 0.000 0.299 111 H C 1.834 177.140 175.328 -0.037 0.000 1.097 111 H CA 2.200 58.207 56.048 -0.069 0.000 1.311 111 H CB -0.090 29.647 29.762 -0.042 0.000 1.377 111 H HN 0.238 nan 8.280 nan 0.000 0.504 112 I N -0.931 119.633 120.570 -0.011 0.000 2.361 112 I HA -0.121 4.068 4.170 0.031 0.000 0.251 112 I C 1.914 177.935 176.117 -0.160 0.000 1.133 112 I CA 1.449 62.713 61.300 -0.059 0.000 1.413 112 I CB -0.030 38.008 38.000 0.063 0.000 1.073 112 I HN 0.668 nan 8.210 nan 0.000 0.424 113 G N -0.953 107.779 108.800 -0.114 0.000 2.205 113 G HA2 -0.224 3.755 3.960 0.031 0.000 0.180 113 G HA3 -0.224 3.755 3.960 0.031 0.000 0.180 113 G C -0.136 174.700 174.900 -0.107 0.000 1.004 113 G CA -0.712 44.300 45.100 -0.147 0.000 0.670 113 G HN 0.155 nan 8.290 nan 0.000 0.496 114 Y N 2.735 123.117 120.300 0.137 0.000 2.627 114 Y HA 0.445 5.013 4.550 0.031 0.000 0.347 114 Y C 0.787 176.885 175.900 0.329 0.000 1.099 114 Y CA -0.445 57.787 58.100 0.220 0.000 1.408 114 Y CB 0.836 39.452 38.460 0.260 0.000 1.247 114 Y HN 0.293 nan 8.280 nan 0.000 0.506 115 D N -0.559 120.063 120.400 0.371 0.000 2.620 115 D HA 0.185 4.844 4.640 0.031 0.000 0.260 115 D C -0.693 175.686 176.300 0.131 0.000 1.367 115 D CA -0.173 54.017 54.000 0.316 0.000 0.805 115 D CB 0.260 41.281 40.800 0.368 0.000 1.096 115 D HN 0.405 nan 8.370 nan 0.000 0.488 116 D N -1.149 119.333 120.400 0.135 0.000 2.745 116 D HA 0.137 4.796 4.640 0.031 0.000 0.221 116 D C 0.878 177.222 176.300 0.072 0.000 1.237 116 D CA -0.064 53.975 54.000 0.065 0.000 0.781 116 D CB 1.587 42.425 40.800 0.063 0.000 1.575 116 D HN -0.172 nan 8.370 nan 0.000 0.482 117 S N 0.731 116.442 115.700 0.017 0.000 2.419 117 S HA -0.205 4.284 4.470 0.031 0.000 0.235 117 S C 1.913 176.537 174.600 0.039 0.000 1.019 117 S CA 1.432 59.636 58.200 0.007 0.000 0.982 117 S CB -0.504 62.679 63.200 -0.028 0.000 0.789 117 S HN 0.514 nan 8.310 nan 0.000 0.490 118 S N 2.100 117.829 115.700 0.048 0.000 2.442 118 S HA -0.018 4.471 4.470 0.031 0.000 0.236 118 S C 1.549 176.200 174.600 0.085 0.000 1.007 118 S CA 0.764 58.997 58.200 0.056 0.000 0.965 118 S CB -0.475 62.754 63.200 0.049 0.000 0.773 118 S HN 0.650 nan 8.310 nan 0.000 0.504 119 K N 0.481 120.960 120.400 0.132 0.000 2.393 119 K HA 0.302 4.641 4.320 0.031 0.000 0.193 119 K C 1.360 178.121 176.600 0.269 0.000 1.026 119 K CA 0.406 56.818 56.287 0.209 0.000 1.064 119 K CB 0.063 32.723 32.500 0.266 0.000 0.833 119 K HN 0.549 nan 8.250 nan 0.000 0.521 120 G N 1.100 109.999 108.800 0.166 0.000 2.194 120 G HA2 -0.268 3.711 3.960 0.031 0.000 0.236 120 G HA3 -0.268 3.711 3.960 0.031 0.000 0.236 120 G C -0.131 174.831 174.900 0.102 0.000 0.987 120 G CA -0.299 44.866 45.100 0.108 0.000 0.635 120 G HN 0.281 nan 8.290 nan 0.000 0.520 121 F N 0.420 120.343 119.950 -0.045 0.000 2.672 121 F HA 0.537 5.083 4.527 0.032 0.000 0.311 121 F C -1.999 173.842 175.800 0.068 0.000 1.113 121 F CA -0.598 57.336 58.000 -0.110 0.000 0.996 121 F CB 2.163 40.879 39.000 -0.473 0.000 1.286 121 F HN 0.043 nan 8.300 nan 0.000 0.441 122 D N 2.913 123.274 120.400 -0.065 0.000 2.736 122 D HA 0.189 4.848 4.640 0.031 0.000 0.243 122 D C 0.217 176.522 176.300 0.008 0.000 1.304 122 D CA -0.468 53.552 54.000 0.034 0.000 0.934 122 D CB 0.872 41.607 40.800 -0.109 0.000 1.382 122 D HN 0.443 nan 8.370 nan 0.000 0.571 123 Y N 3.148 123.559 120.300 0.184 0.000 2.315 123 Y HA -0.041 4.528 4.550 0.031 0.000 0.288 123 Y C 1.390 177.335 175.900 0.076 0.000 1.154 123 Y CA 1.125 59.323 58.100 0.165 0.000 1.229 123 Y CB -0.272 38.293 38.460 0.175 0.000 0.980 123 Y HN 0.233 nan 8.280 nan 0.000 0.540 124 K N 0.100 120.084 120.400 -0.694 0.000 2.217 124 K HA -0.026 4.313 4.320 0.031 0.000 0.202 124 K C 1.388 177.864 176.600 -0.206 0.000 1.051 124 K CA 1.689 57.682 56.287 -0.489 0.000 0.952 124 K CB -0.130 32.041 32.500 -0.549 0.000 0.736 124 K HN 0.617 nan 8.250 nan 0.000 0.453 125 T N -2.595 111.842 114.554 -0.195 0.000 3.058 125 T HA 0.124 4.493 4.350 0.031 0.000 0.278 125 T C 0.953 175.554 174.700 -0.166 0.000 0.974 125 T CA -0.588 61.421 62.100 -0.152 0.000 0.893 125 T CB -1.027 67.751 68.868 -0.151 0.000 1.138 125 T HN 0.256 nan 8.240 nan 0.000 0.529 126 C N 1.856 121.036 119.300 -0.200 0.000 2.649 126 C HA 0.690 5.169 4.460 0.031 0.000 0.377 126 C C 0.681 175.613 174.990 -0.097 0.000 1.321 126 C CA -1.313 57.555 59.018 -0.250 0.000 2.368 126 C CB -0.530 26.974 27.740 -0.393 0.000 2.597 126 C HN 0.502 nan 8.230 nan 0.000 0.678 127 N N 0.255 118.909 118.700 -0.077 0.000 2.488 127 N HA 0.452 5.210 4.740 0.031 0.000 0.274 127 N C -0.968 174.563 175.510 0.035 0.000 1.111 127 N CA -0.301 52.739 53.050 -0.015 0.000 0.974 127 N CB 0.825 39.300 38.487 -0.019 0.000 1.089 127 N HN 0.648 nan 8.380 nan 0.000 0.465 128 V N 5.016 124.958 119.914 0.047 0.000 2.378 128 V HA 0.409 4.548 4.120 0.031 0.000 0.288 128 V C -0.033 176.089 176.094 0.046 0.000 1.016 128 V CA -0.697 61.644 62.300 0.068 0.000 0.840 128 V CB 0.914 32.794 31.823 0.095 0.000 0.994 128 V HN 0.555 nan 8.190 nan 0.000 0.431 129 L N 5.211 126.453 121.223 0.032 0.000 2.334 129 L HA 0.743 5.101 4.340 0.031 0.000 0.276 129 L C -0.807 176.054 176.870 -0.015 0.000 1.014 129 L CA -0.850 53.997 54.840 0.011 0.000 0.815 129 L CB 2.308 44.371 42.059 0.005 0.000 1.268 129 L HN 0.348 nan 8.230 nan 0.000 0.428 130 V N 2.076 121.971 119.914 -0.031 0.000 2.483 130 V HA 0.583 4.722 4.120 0.031 0.000 0.297 130 V C -0.012 176.038 176.094 -0.074 0.000 1.027 130 V CA -0.434 61.813 62.300 -0.089 0.000 0.855 130 V CB 1.644 33.397 31.823 -0.116 0.000 0.995 130 V HN 0.827 nan 8.190 nan 0.000 0.424 131 A N 6.530 129.298 122.820 -0.087 0.000 3.248 131 A HA 0.732 5.071 4.320 0.031 0.000 0.315 131 A C -0.655 176.881 177.584 -0.080 0.000 0.974 131 A CA -0.203 51.796 52.037 -0.064 0.000 0.939 131 A CB 0.001 18.973 19.000 -0.046 0.000 1.061 131 A HN 0.721 nan 8.150 nan 0.000 0.481 132 L N 0.823 121.987 121.223 -0.099 0.000 2.322 132 L HA 0.546 4.904 4.340 0.031 0.000 0.281 132 L C 0.099 176.939 176.870 -0.049 0.000 1.014 132 L CA -0.265 54.515 54.840 -0.101 0.000 0.815 132 L CB 1.862 43.813 42.059 -0.181 0.000 1.247 132 L HN 0.551 nan 8.230 nan 0.000 0.421 133 E N 1.705 121.881 120.200 -0.039 0.000 2.316 133 E HA 0.370 4.738 4.350 0.031 0.000 0.258 133 E C -1.001 175.588 176.600 -0.018 0.000 0.952 133 E CA -1.074 55.314 56.400 -0.020 0.000 0.818 133 E CB 1.540 31.227 29.700 -0.021 0.000 1.260 133 E HN 0.396 nan 8.360 nan 0.000 0.416 134 Q N 1.161 120.957 119.800 -0.007 0.000 2.454 134 Q HA -0.004 4.354 4.340 0.031 0.000 0.247 134 Q C -0.216 175.775 176.000 -0.015 0.000 1.028 134 Q CA 0.249 56.048 55.803 -0.007 0.000 0.910 134 Q CB 0.330 29.071 28.738 0.004 0.000 1.276 134 Q HN 0.473 nan 8.270 nan 0.000 0.489 135 Q N 0.756 120.548 119.800 -0.014 0.000 2.315 135 Q HA -0.026 4.333 4.340 0.031 0.000 0.289 135 Q C -0.276 175.720 176.000 -0.006 0.000 1.044 135 Q CA 0.099 55.897 55.803 -0.009 0.000 0.920 135 Q CB 0.560 29.307 28.738 0.014 0.000 1.214 135 Q HN 0.596 nan 8.270 nan 0.000 0.392 136 S N 5.104 120.795 115.700 -0.015 0.000 2.626 136 S HA 0.015 4.504 4.470 0.031 0.000 0.303 136 S C -1.489 173.096 174.600 -0.025 0.000 1.256 136 S CA -0.877 57.312 58.200 -0.020 0.000 1.069 136 S CB 0.600 63.785 63.200 -0.025 0.000 0.807 136 S HN 0.631 nan 8.310 nan 0.000 0.500 137 P HA -0.054 nan 4.420 nan 0.000 0.223 137 P C 0.547 177.814 177.300 -0.054 0.000 1.151 137 P CA 0.853 63.932 63.100 -0.036 0.000 0.787 137 P CB 0.086 31.771 31.700 -0.024 0.000 0.788 138 D N 0.066 120.440 120.400 -0.045 0.000 2.144 138 D HA -0.063 4.596 4.640 0.031 0.000 0.200 138 D C 2.163 178.424 176.300 -0.065 0.000 0.978 138 D CA 0.836 54.807 54.000 -0.048 0.000 0.833 138 D CB -0.621 40.158 40.800 -0.034 0.000 0.961 138 D HN 0.241 nan 8.370 nan 0.000 0.470 139 I N 1.144 121.677 120.570 -0.062 0.000 2.202 139 I HA -0.235 3.954 4.170 0.031 0.000 0.242 139 I C 2.489 178.520 176.117 -0.144 0.000 1.091 139 I CA 0.969 62.225 61.300 -0.073 0.000 1.368 139 I CB -0.275 37.699 38.000 -0.045 0.000 1.058 139 I HN -0.079 nan 8.210 nan 0.000 0.410 140 A N 1.353 124.067 122.820 -0.178 0.000 1.883 140 A HA -0.305 4.033 4.320 0.031 0.000 0.217 140 A C 2.207 179.498 177.584 -0.489 0.000 1.186 140 A CA 2.317 54.085 52.037 -0.448 0.000 0.624 140 A CB -0.823 18.037 19.000 -0.234 0.000 0.822 140 A HN 0.610 nan 8.150 nan 0.000 0.444 141 Q N -0.424 119.232 119.800 -0.241 0.000 2.167 141 Q HA 0.099 4.458 4.340 0.031 0.000 0.202 141 Q C 1.633 177.545 176.000 -0.147 0.000 0.970 141 Q CA 1.991 57.692 55.803 -0.171 0.000 0.855 141 Q CB -1.259 27.421 28.738 -0.096 0.000 0.911 141 Q HN 0.388 nan 8.270 nan 0.000 0.438 142 G N -0.320 108.399 108.800 -0.135 0.000 2.683 142 G HA2 0.078 4.057 3.960 0.031 0.000 0.213 142 G HA3 0.078 4.057 3.960 0.031 0.000 0.213 142 G C 1.153 176.003 174.900 -0.084 0.000 1.142 142 G CA 0.569 45.617 45.100 -0.087 0.000 0.793 142 G HN 0.242 nan 8.290 nan 0.000 0.534 143 V N 0.089 119.920 119.914 -0.139 0.000 2.627 143 V HA 0.126 4.265 4.120 0.031 0.000 0.239 143 V C 1.793 177.870 176.094 -0.028 0.000 1.077 143 V CA 1.916 64.171 62.300 -0.074 0.000 1.103 143 V CB 0.064 31.869 31.823 -0.030 0.000 0.802 143 V HN 0.661 nan 8.190 nan 0.000 0.482 144 H N -2.388 116.662 119.070 -0.034 0.000 3.643 144 H HA 0.329 4.904 4.556 0.031 0.000 0.256 144 H C 0.513 175.835 175.328 -0.010 0.000 1.107 144 H CA -0.557 55.476 56.048 -0.025 0.000 1.175 144 H CB -0.246 29.489 29.762 -0.046 0.000 1.519 144 H HN 0.259 nan 8.280 nan 0.000 0.565 145 L N 3.538 124.656 121.223 -0.175 0.000 2.559 145 L HA 0.122 4.480 4.340 0.031 0.000 0.274 145 L C -0.172 176.700 176.870 0.003 0.000 1.205 145 L CA 0.775 55.589 54.840 -0.044 0.000 0.907 145 L CB -0.216 41.777 42.059 -0.111 0.000 1.153 145 L HN 0.506 nan 8.230 nan 0.000 0.490 146 D N 2.903 123.325 120.400 0.036 0.000 2.772 146 D HA -0.201 4.458 4.640 0.031 0.000 0.233 146 D C -0.267 176.052 176.300 0.032 0.000 1.143 146 D CA 0.730 54.748 54.000 0.030 0.000 0.700 146 D CB -0.568 40.240 40.800 0.014 0.000 1.076 146 D HN 0.534 nan 8.370 nan 0.000 0.430 147 R N 0.656 121.186 120.500 0.049 0.000 2.514 147 R HA 0.333 4.692 4.340 0.031 0.000 0.301 147 R C 0.208 176.543 176.300 0.057 0.000 0.962 147 R CA -0.928 55.202 56.100 0.051 0.000 0.882 147 R CB 1.207 31.543 30.300 0.061 0.000 1.143 147 R HN 0.014 nan 8.270 nan 0.000 0.452 148 N N 1.398 120.127 118.700 0.048 0.000 2.412 148 N HA -0.117 4.642 4.740 0.031 0.000 0.254 148 N C 1.091 176.636 175.510 0.058 0.000 1.232 148 N CA 0.500 53.579 53.050 0.048 0.000 0.880 148 N CB 0.792 39.304 38.487 0.041 0.000 1.076 148 N HN 0.616 nan 8.380 nan 0.000 0.458 149 E N 2.359 122.596 120.200 0.061 0.000 2.058 149 E HA -0.266 4.103 4.350 0.031 0.000 0.194 149 E C 0.749 177.394 176.600 0.074 0.000 0.997 149 E CA 1.323 57.772 56.400 0.080 0.000 0.801 149 E CB 0.053 29.793 29.700 0.068 0.000 0.746 149 E HN 0.728 nan 8.360 nan 0.000 0.450 150 E N -0.140 120.090 120.200 0.050 0.000 2.265 150 E HA -0.157 4.212 4.350 0.031 0.000 0.196 150 E C 0.706 177.323 176.600 0.028 0.000 0.996 150 E CA 0.900 57.324 56.400 0.040 0.000 0.832 150 E CB 0.081 29.801 29.700 0.034 0.000 0.756 150 E HN 0.353 nan 8.360 nan 0.000 0.491 151 D N 0.331 120.752 120.400 0.034 0.000 2.424 151 D HA 0.094 4.753 4.640 0.031 0.000 0.220 151 D C 0.440 176.761 176.300 0.036 0.000 1.150 151 D CA -0.134 53.880 54.000 0.023 0.000 0.831 151 D CB 0.367 41.187 40.800 0.033 0.000 0.981 151 D HN 0.151 nan 8.370 nan 0.000 0.500 152 I N 1.380 121.983 120.570 0.056 0.000 2.815 152 I HA 0.011 4.199 4.170 0.031 0.000 0.291 152 I C 0.989 177.129 176.117 0.038 0.000 1.209 152 I CA 0.225 61.564 61.300 0.064 0.000 1.431 152 I CB 0.762 38.822 38.000 0.099 0.000 1.351 152 I HN -0.072 nan 8.210 nan 0.000 0.585 153 G N 5.341 114.160 108.800 0.031 0.000 2.539 153 G HA2 0.497 4.476 3.960 0.031 0.000 0.258 153 G HA3 0.497 4.476 3.960 0.031 0.000 0.258 153 G C -0.297 174.600 174.900 -0.006 0.000 1.202 153 G CA -0.199 44.915 45.100 0.023 0.000 0.851 153 G HN 1.014 nan 8.290 nan 0.000 0.556 154 A N -0.067 122.751 122.820 -0.004 0.000 2.561 154 A HA 0.442 4.781 4.320 0.031 0.000 0.234 154 A C 1.731 179.271 177.584 -0.074 0.000 1.055 154 A CA 0.630 52.613 52.037 -0.089 0.000 0.756 154 A CB 0.253 19.220 19.000 -0.055 0.000 0.986 154 A HN 1.402 nan 8.150 nan 0.000 0.505 155 G N 0.153 108.880 108.800 -0.122 0.000 2.679 155 G HA2 0.277 4.256 3.960 0.031 0.000 0.212 155 G HA3 0.277 4.256 3.960 0.031 0.000 0.212 155 G C 0.235 175.096 174.900 -0.065 0.000 1.137 155 G CA 1.125 46.170 45.100 -0.091 0.000 0.787 155 G HN 0.851 nan 8.290 nan 0.000 0.534 156 D N -1.978 118.389 120.400 -0.055 0.000 2.671 156 D HA 0.180 4.839 4.640 0.031 0.000 0.273 156 D C -0.163 176.146 176.300 0.015 0.000 1.264 156 D CA -0.647 53.340 54.000 -0.022 0.000 0.788 156 D CB 0.521 41.303 40.800 -0.029 0.000 1.324 156 D HN 0.185 nan 8.370 nan 0.000 0.424 157 Q N 0.356 120.177 119.800 0.035 0.000 2.500 157 Q HA 0.596 4.955 4.340 0.031 0.000 0.215 157 Q C 0.338 176.384 176.000 0.076 0.000 1.062 157 Q CA -0.273 55.572 55.803 0.070 0.000 0.996 157 Q CB 0.829 29.597 28.738 0.050 0.000 1.239 157 Q HN 0.604 nan 8.270 nan 0.000 0.578 158 G N -0.404 108.458 108.800 0.103 0.000 2.368 158 G HA2 0.327 4.305 3.960 0.031 0.000 0.302 158 G HA3 0.327 4.305 3.960 0.031 0.000 0.302 158 G C -1.661 173.300 174.900 0.102 0.000 1.329 158 G CA -0.587 44.567 45.100 0.090 0.000 0.935 158 G HN 0.930 nan 8.290 nan 0.000 0.590 159 L N -2.889 118.372 121.223 0.064 0.000 2.341 159 L HA 1.041 5.399 4.340 0.031 0.000 0.267 159 L C -0.414 176.444 176.870 -0.020 0.000 1.009 159 L CA -1.224 53.603 54.840 -0.021 0.000 0.819 159 L CB 2.194 44.203 42.059 -0.084 0.000 1.323 159 L HN 0.590 nan 8.230 nan 0.000 0.425 160 M N 1.809 121.323 119.600 -0.144 0.000 2.470 160 M HA 0.638 5.136 4.480 0.031 0.000 0.285 160 M C -1.347 174.825 176.300 -0.214 0.000 1.213 160 M CA 0.142 55.415 55.300 -0.045 0.000 0.901 160 M CB 2.431 35.090 32.600 0.098 0.000 1.718 160 M HN 0.440 nan 8.290 nan 0.000 0.469 161 F N -0.247 119.770 119.950 0.112 0.000 2.546 161 F HA 0.893 5.439 4.527 0.030 0.000 0.320 161 F C 0.664 176.592 175.800 0.214 0.000 1.076 161 F CA -0.843 57.247 58.000 0.149 0.000 0.928 161 F CB 2.287 41.380 39.000 0.154 0.000 1.189 161 F HN 0.622 nan 8.300 nan 0.000 0.465 162 G N 0.734 109.748 108.800 0.356 0.000 2.453 162 G HA2 0.563 4.542 3.960 0.031 0.000 0.323 162 G HA3 0.563 4.542 3.960 0.031 0.000 0.323 162 G C -2.547 172.416 174.900 0.105 0.000 1.198 162 G CA -0.646 44.596 45.100 0.236 0.000 0.959 162 G HN 0.577 nan 8.290 nan 0.000 0.482 163 Y N 0.147 120.216 120.300 -0.385 0.000 2.544 163 Y HA 0.678 5.245 4.550 0.028 0.000 0.342 163 Y C -0.667 175.023 175.900 -0.350 0.000 1.062 163 Y CA -0.718 57.062 58.100 -0.534 0.000 1.023 163 Y CB 2.173 39.975 38.460 -1.095 0.000 1.308 163 Y HN 0.971 nan 8.280 nan 0.000 0.457 164 A N 2.774 125.094 122.820 -0.833 0.000 2.574 164 A HA 0.714 5.053 4.320 0.031 0.000 0.297 164 A C -1.421 175.675 177.584 -0.813 0.000 1.062 164 A CA -0.341 51.350 52.037 -0.577 0.000 0.686 164 A CB 1.837 20.693 19.000 -0.240 0.000 1.285 164 A HN 0.790 nan 8.150 nan 0.000 0.403 165 T N 0.093 114.344 114.554 -0.505 0.000 2.971 165 T HA 0.460 4.829 4.350 0.031 0.000 0.304 165 T C -0.299 174.276 174.700 -0.208 0.000 1.038 165 T CA 0.112 61.966 62.100 -0.409 0.000 1.007 165 T CB 1.201 69.810 68.868 -0.431 0.000 1.055 165 T HN 0.790 nan 8.240 nan 0.000 0.451 166 D N 3.051 123.357 120.400 -0.156 0.000 2.352 166 D HA -0.077 4.582 4.640 0.031 0.000 0.232 166 D C 1.212 177.476 176.300 -0.059 0.000 1.055 166 D CA 0.201 54.150 54.000 -0.085 0.000 0.891 166 D CB 0.038 40.800 40.800 -0.063 0.000 0.897 166 D HN 0.910 nan 8.370 nan 0.000 0.529 167 E N 0.479 120.633 120.200 -0.077 0.000 2.347 167 E HA -0.100 4.269 4.350 0.031 0.000 0.196 167 E C 0.215 176.812 176.600 -0.005 0.000 1.008 167 E CA 0.713 57.093 56.400 -0.033 0.000 0.852 167 E CB -0.297 29.381 29.700 -0.035 0.000 0.783 167 E HN 0.302 nan 8.360 nan 0.000 0.505 168 T N -2.699 111.851 114.554 -0.007 0.000 2.906 168 T HA 0.176 4.544 4.350 0.031 0.000 0.295 168 T C 0.605 175.316 174.700 0.019 0.000 1.075 168 T CA -0.868 61.245 62.100 0.021 0.000 1.005 168 T CB 2.067 70.959 68.868 0.040 0.000 1.136 168 T HN -0.093 nan 8.240 nan 0.000 0.498 169 E N 0.964 121.181 120.200 0.027 0.000 2.118 169 E HA -0.189 4.180 4.350 0.031 0.000 0.195 169 E C 1.577 178.195 176.600 0.030 0.000 0.992 169 E CA 1.655 58.068 56.400 0.022 0.000 0.804 169 E CB 0.009 29.721 29.700 0.020 0.000 0.741 169 E HN 0.873 nan 8.360 nan 0.000 0.458 170 E N -0.430 119.797 120.200 0.045 0.000 2.502 170 E HA -0.047 4.322 4.350 0.031 0.000 0.194 170 E C 0.553 177.204 176.600 0.084 0.000 1.062 170 E CA 0.611 57.051 56.400 0.067 0.000 0.867 170 E CB -0.836 28.914 29.700 0.085 0.000 0.888 170 E HN 0.242 nan 8.360 nan 0.000 0.510 171 C N 0.781 120.111 119.300 0.049 0.000 4.497 171 C HA -0.133 4.346 4.460 0.031 0.000 0.292 171 C C 0.185 175.206 174.990 0.051 0.000 1.366 171 C CA 0.483 59.511 59.018 0.017 0.000 1.987 171 C CB -2.366 25.379 27.740 0.009 0.000 1.241 171 C HN 0.510 nan 8.230 nan 0.000 0.788 172 M N -0.451 119.204 119.600 0.092 0.000 2.662 172 M HA 0.492 4.990 4.480 0.031 0.000 0.310 172 M C -2.445 173.889 176.300 0.057 0.000 1.204 172 M CA -2.522 52.880 55.300 0.171 0.000 0.891 172 M CB 1.218 33.974 32.600 0.260 0.000 1.732 172 M HN -0.254 nan 8.290 nan 0.000 0.467 173 P HA 0.067 nan 4.420 nan 0.000 0.268 173 P C 0.782 178.098 177.300 0.026 0.000 1.204 173 P CA -0.236 62.750 63.100 -0.189 0.000 0.768 173 P CB 0.462 31.902 31.700 -0.434 0.000 0.842 174 L N 4.352 125.598 121.223 0.039 0.000 2.083 174 L HA -0.185 4.174 4.340 0.031 0.000 0.209 174 L C 2.125 179.054 176.870 0.099 0.000 1.083 174 L CA 2.659 57.529 54.840 0.049 0.000 0.752 174 L CB -1.607 40.416 42.059 -0.059 0.000 0.899 174 L HN 0.467 nan 8.230 nan 0.000 0.433 175 T N -2.216 112.474 114.554 0.226 0.000 2.635 175 T HA -0.316 4.053 4.350 0.031 0.000 0.267 175 T C 2.004 176.812 174.700 0.180 0.000 1.040 175 T CA 2.134 64.392 62.100 0.264 0.000 1.156 175 T CB -0.988 68.189 68.868 0.515 0.000 0.863 175 T HN 0.430 nan 8.240 nan 0.000 0.430 176 I N 0.639 121.321 120.570 0.188 0.000 2.500 176 I HA -0.047 4.142 4.170 0.031 0.000 0.252 176 I C 2.445 178.541 176.117 -0.034 0.000 1.142 176 I CA 0.587 61.903 61.300 0.027 0.000 1.451 176 I CB -0.050 37.991 38.000 0.068 0.000 1.093 176 I HN 0.125 nan 8.210 nan 0.000 0.430 177 V N 1.401 121.389 119.914 0.124 0.000 2.287 177 V HA -0.320 3.819 4.120 0.031 0.000 0.248 177 V C 2.396 178.580 176.094 0.150 0.000 1.053 177 V CA 1.976 64.389 62.300 0.188 0.000 1.027 177 V CB -0.607 31.313 31.823 0.163 0.000 0.646 177 V HN 0.402 nan 8.190 nan 0.000 0.447 178 L N -0.064 121.221 121.223 0.103 0.000 2.046 178 L HA -0.170 4.189 4.340 0.031 0.000 0.208 178 L C 2.749 179.683 176.870 0.106 0.000 1.077 178 L CA 1.571 56.469 54.840 0.097 0.000 0.747 178 L CB -0.847 41.253 42.059 0.068 0.000 0.896 178 L HN 0.374 nan 8.230 nan 0.000 0.432 179 A N -0.700 122.164 122.820 0.074 0.000 1.883 179 A HA -0.243 4.095 4.320 0.031 0.000 0.217 179 A C 2.125 179.793 177.584 0.141 0.000 1.186 179 A CA 1.573 53.653 52.037 0.071 0.000 0.624 179 A CB -0.768 18.238 19.000 0.010 0.000 0.822 179 A HN 0.413 nan 8.150 nan 0.000 0.444 180 H N 0.008 119.184 119.070 0.176 0.000 2.321 180 H HA -0.067 4.508 4.556 0.031 0.000 0.300 180 H C 1.976 177.404 175.328 0.166 0.000 1.087 180 H CA 1.742 57.926 56.048 0.227 0.000 1.319 180 H CB -0.320 29.582 29.762 0.235 0.000 1.379 180 H HN 0.537 nan 8.280 nan 0.000 0.501 181 K N 0.389 120.926 120.400 0.229 0.000 2.147 181 K HA -0.073 4.266 4.320 0.031 0.000 0.205 181 K C 2.406 179.064 176.600 0.096 0.000 1.049 181 K CA 0.632 56.980 56.287 0.101 0.000 0.936 181 K CB -0.047 32.503 32.500 0.084 0.000 0.722 181 K HN 0.146 nan 8.250 nan 0.000 0.446 182 L N 1.157 122.459 121.223 0.132 0.000 2.046 182 L HA -0.207 4.151 4.340 0.031 0.000 0.208 182 L C 2.035 178.990 176.870 0.142 0.000 1.077 182 L CA 1.005 55.920 54.840 0.125 0.000 0.747 182 L CB -0.472 41.667 42.059 0.135 0.000 0.896 182 L HN 0.251 nan 8.230 nan 0.000 0.432 183 N N 0.225 119.049 118.700 0.208 0.000 2.188 183 N HA -0.144 4.615 4.740 0.031 0.000 0.184 183 N C 1.889 177.560 175.510 0.268 0.000 1.018 183 N CA 1.502 54.708 53.050 0.260 0.000 0.858 183 N CB -0.152 38.543 38.487 0.347 0.000 0.989 183 N HN 0.315 nan 8.380 nan 0.000 0.426 184 A N 1.364 124.290 122.820 0.175 0.000 1.933 184 A HA -0.160 4.179 4.320 0.031 0.000 0.218 184 A C 2.235 179.799 177.584 -0.033 0.000 1.175 184 A CA 1.557 53.536 52.037 -0.096 0.000 0.628 184 A CB -0.360 18.357 19.000 -0.473 0.000 0.814 184 A HN 0.149 nan 8.150 nan 0.000 0.444 185 K N 0.152 120.550 120.400 -0.003 0.000 2.057 185 K HA -0.007 4.332 4.320 0.031 0.000 0.207 185 K C 1.730 178.323 176.600 -0.011 0.000 1.049 185 K CA 1.392 57.674 56.287 -0.007 0.000 0.931 185 K CB -0.628 31.881 32.500 0.014 0.000 0.714 185 K HN 0.462 nan 8.250 nan 0.000 0.440 186 L N -0.018 121.214 121.223 0.016 0.000 2.012 186 L HA -0.199 4.160 4.340 0.031 0.000 0.210 186 L C 2.465 179.307 176.870 -0.047 0.000 1.073 186 L CA 1.539 56.368 54.840 -0.019 0.000 0.748 186 L CB -0.693 41.379 42.059 0.022 0.000 0.891 186 L HN 0.285 nan 8.230 nan 0.000 0.431 187 A N -0.526 122.296 122.820 0.003 0.000 1.933 187 A HA -0.259 4.080 4.320 0.031 0.000 0.218 187 A C 2.285 179.838 177.584 -0.052 0.000 1.175 187 A CA 1.844 53.872 52.037 -0.015 0.000 0.628 187 A CB -0.527 18.515 19.000 0.071 0.000 0.814 187 A HN 0.506 nan 8.150 nan 0.000 0.444 188 E N -0.048 120.123 120.200 -0.048 0.000 2.051 188 E HA -0.159 4.210 4.350 0.031 0.000 0.192 188 E C 1.842 178.395 176.600 -0.078 0.000 0.991 188 E CA 1.210 57.573 56.400 -0.061 0.000 0.799 188 E CB -0.190 29.477 29.700 -0.056 0.000 0.748 188 E HN 0.640 nan 8.360 nan 0.000 0.449 189 L N 0.216 121.383 121.223 -0.094 0.000 2.313 189 L HA -0.033 4.326 4.340 0.031 0.000 0.214 189 L C 2.832 179.598 176.870 -0.173 0.000 1.119 189 L CA 0.588 55.353 54.840 -0.125 0.000 0.809 189 L CB -0.356 41.621 42.059 -0.136 0.000 0.933 189 L HN 0.131 nan 8.230 nan 0.000 0.449 190 R N 0.801 121.194 120.500 -0.179 0.000 2.062 190 R HA -0.125 4.234 4.340 0.031 0.000 0.231 190 R C 2.421 178.637 176.300 -0.140 0.000 1.136 190 R CA 1.373 57.358 56.100 -0.192 0.000 0.948 190 R CB -0.026 30.166 30.300 -0.179 0.000 0.845 190 R HN 0.202 nan 8.270 nan 0.000 0.430 191 R N 0.454 120.886 120.500 -0.114 0.000 2.148 191 R HA -0.061 4.298 4.340 0.031 0.000 0.223 191 R C 1.563 177.817 176.300 -0.076 0.000 1.088 191 R CA 1.402 57.446 56.100 -0.094 0.000 0.985 191 R CB -0.234 30.012 30.300 -0.089 0.000 0.880 191 R HN 0.442 nan 8.270 nan 0.000 0.451 192 N N -0.403 118.252 118.700 -0.076 0.000 2.398 192 N HA 0.019 4.778 4.740 0.031 0.000 0.188 192 N C 0.923 176.397 175.510 -0.061 0.000 1.122 192 N CA 0.877 53.891 53.050 -0.060 0.000 0.866 192 N CB 0.605 39.061 38.487 -0.053 0.000 0.970 192 N HN 0.213 nan 8.380 nan 0.000 0.462 193 G N -0.453 108.300 108.800 -0.079 0.000 2.162 193 G HA2 -0.365 3.613 3.960 0.031 0.000 0.260 193 G HA3 -0.365 3.613 3.960 0.031 0.000 0.260 193 G C 0.962 175.816 174.900 -0.077 0.000 0.976 193 G CA 1.048 46.104 45.100 -0.073 0.000 0.655 193 G HN 0.661 nan 8.290 nan 0.000 0.533 194 T N -1.784 112.716 114.554 -0.089 0.000 3.043 194 T HA 0.402 4.771 4.350 0.031 0.000 0.263 194 T C 1.168 175.800 174.700 -0.114 0.000 1.094 194 T CA 1.042 63.098 62.100 -0.074 0.000 1.127 194 T CB 0.136 68.970 68.868 -0.056 0.000 0.905 194 T HN 0.519 nan 8.240 nan 0.000 0.490 195 L N 1.562 122.639 121.223 -0.245 0.000 2.502 195 L HA 0.382 4.740 4.340 0.031 0.000 0.247 195 L C -2.191 174.308 176.870 -0.619 0.000 1.180 195 L CA -2.046 52.478 54.840 -0.526 0.000 0.956 195 L CB 1.795 43.392 42.059 -0.769 0.000 1.282 195 L HN -0.071 nan 8.230 nan 0.000 0.470 196 P HA -0.154 nan 4.420 nan 0.000 0.225 196 P C 1.331 178.586 177.300 -0.076 0.000 1.148 196 P CA 0.995 64.010 63.100 -0.143 0.000 0.779 196 P CB 0.036 31.732 31.700 -0.008 0.000 0.780 197 W N -1.177 120.129 121.300 0.011 0.000 2.800 197 W HA 0.123 4.802 4.660 0.031 0.000 0.249 197 W C -0.040 176.496 176.519 0.028 0.000 1.294 197 W CA -0.268 57.094 57.345 0.028 0.000 1.402 197 W CB -1.332 28.151 29.460 0.039 0.000 1.126 197 W HN -0.133 nan 8.180 nan 0.000 0.652 198 L N 2.151 123.180 121.223 -0.323 0.000 2.461 198 L HA 0.230 4.589 4.340 0.031 0.000 0.272 198 L C 0.620 177.424 176.870 -0.110 0.000 1.197 198 L CA 0.275 54.968 54.840 -0.245 0.000 0.836 198 L CB 0.273 42.061 42.059 -0.452 0.000 1.105 198 L HN -0.197 nan 8.230 nan 0.000 0.477 199 R N 2.083 122.528 120.500 -0.092 0.000 2.939 199 R HA 0.360 4.719 4.340 0.031 0.000 0.254 199 R C -1.834 174.349 176.300 -0.194 0.000 1.123 199 R CA -1.315 54.699 56.100 -0.143 0.000 1.020 199 R CB 0.912 31.155 30.300 -0.095 0.000 1.206 199 R HN 0.227 nan 8.270 nan 0.000 0.491 200 P HA -0.055 nan 4.420 nan 0.000 0.225 200 P C -0.610 176.643 177.300 -0.078 0.000 1.156 200 P CA 0.912 63.844 63.100 -0.279 0.000 0.787 200 P CB 0.198 31.530 31.700 -0.612 0.000 0.802 201 D N 0.475 120.876 120.400 0.001 0.000 2.325 201 D HA 0.243 4.901 4.640 0.031 0.000 0.251 201 D C -0.332 176.024 176.300 0.095 0.000 1.196 201 D CA 0.075 54.146 54.000 0.119 0.000 0.866 201 D CB 0.213 41.129 40.800 0.194 0.000 1.101 201 D HN 0.006 nan 8.370 nan 0.000 0.476 202 S N 2.379 118.207 115.700 0.213 0.000 2.579 202 S HA 0.731 5.219 4.470 0.031 0.000 0.272 202 S C -0.848 173.931 174.600 0.299 0.000 1.141 202 S CA -1.079 57.269 58.200 0.247 0.000 0.843 202 S CB 1.976 65.271 63.200 0.159 0.000 1.122 202 S HN 0.360 nan 8.310 nan 0.000 0.468 203 K N 0.772 121.347 120.400 0.291 0.000 2.469 203 K HA 0.768 5.107 4.320 0.031 0.000 0.254 203 K C -1.138 175.574 176.600 0.185 0.000 0.939 203 K CA -0.745 55.672 56.287 0.216 0.000 0.812 203 K CB 2.359 34.983 32.500 0.208 0.000 1.301 203 K HN 0.933 nan 8.250 nan 0.000 0.433 204 T N -1.360 113.281 114.554 0.145 0.000 2.883 204 T HA 0.490 4.858 4.350 0.031 0.000 0.296 204 T C -1.151 173.611 174.700 0.105 0.000 1.117 204 T CA -0.858 61.324 62.100 0.137 0.000 1.006 204 T CB 2.212 71.166 68.868 0.144 0.000 1.191 204 T HN 0.562 nan 8.240 nan 0.000 0.508 205 Q N 0.946 120.809 119.800 0.104 0.000 2.295 205 Q HA 0.604 4.962 4.340 0.031 0.000 0.268 205 Q C -2.269 173.786 176.000 0.092 0.000 1.010 205 Q CA -0.779 55.075 55.803 0.084 0.000 0.856 205 Q CB 2.463 31.241 28.738 0.067 0.000 1.349 205 Q HN 0.723 nan 8.270 nan 0.000 0.412 206 V N 2.573 122.541 119.914 0.091 0.000 2.531 206 V HA 0.515 4.654 4.120 0.031 0.000 0.301 206 V C -0.607 175.550 176.094 0.106 0.000 1.034 206 V CA -0.538 61.817 62.300 0.091 0.000 0.865 206 V CB 2.072 33.946 31.823 0.086 0.000 0.995 206 V HN 0.832 nan 8.190 nan 0.000 0.424 207 T N 4.411 119.019 114.554 0.090 0.000 2.758 207 T HA 0.609 4.977 4.350 0.031 0.000 0.285 207 T C -0.303 174.442 174.700 0.074 0.000 0.981 207 T CA -0.348 61.805 62.100 0.087 0.000 0.965 207 T CB 1.512 70.409 68.868 0.049 0.000 0.927 207 T HN 0.345 nan 8.240 nan 0.000 0.448 208 V N 3.656 123.625 119.914 0.092 0.000 2.581 208 V HA 0.411 4.550 4.120 0.031 0.000 0.303 208 V C 0.141 176.198 176.094 -0.061 0.000 1.041 208 V CA -0.946 61.313 62.300 -0.069 0.000 0.907 208 V CB 1.892 33.553 31.823 -0.270 0.000 0.994 208 V HN 0.802 nan 8.190 nan 0.000 0.442 209 Q N 2.845 122.558 119.800 -0.145 0.000 2.279 209 Q HA 0.398 4.757 4.340 0.031 0.000 0.256 209 Q C -1.809 174.002 176.000 -0.316 0.000 0.937 209 Q CA -0.233 55.484 55.803 -0.143 0.000 0.933 209 Q CB 0.792 29.505 28.738 -0.041 0.000 1.189 209 Q HN 0.708 nan 8.270 nan 0.000 0.417 210 Y N 2.131 122.171 120.300 -0.434 0.000 2.528 210 Y HA 0.427 4.996 4.550 0.032 0.000 0.335 210 Y C -0.089 175.583 175.900 -0.380 0.000 1.093 210 Y CA -1.045 56.764 58.100 -0.485 0.000 1.134 210 Y CB 1.803 39.741 38.460 -0.870 0.000 1.253 210 Y HN 0.620 nan 8.280 nan 0.000 0.478 211 M N 1.762 121.385 119.600 0.039 0.000 2.336 211 M HA 0.357 4.856 4.480 0.031 0.000 0.342 211 M C -1.096 175.346 176.300 0.237 0.000 1.128 211 M CA -0.469 54.902 55.300 0.119 0.000 1.016 211 M CB 1.347 33.999 32.600 0.088 0.000 1.665 211 M HN 0.609 nan 8.290 nan 0.000 0.445 212 Q N 2.093 122.078 119.800 0.308 0.000 2.332 212 Q HA 0.255 4.614 4.340 0.031 0.000 0.263 212 Q C -0.974 175.124 176.000 0.164 0.000 0.979 212 Q CA 0.351 56.325 55.803 0.285 0.000 0.885 212 Q CB 0.582 29.467 28.738 0.245 0.000 1.218 212 Q HN 0.564 nan 8.270 nan 0.000 0.405 213 D N 0.706 121.184 120.400 0.130 0.000 2.517 213 D HA 0.211 4.870 4.640 0.031 0.000 0.263 213 D C -0.627 175.711 176.300 0.063 0.000 1.233 213 D CA 0.184 54.235 54.000 0.085 0.000 0.849 213 D CB -0.021 40.823 40.800 0.074 0.000 1.261 213 D HN 0.676 nan 8.370 nan 0.000 0.516 214 R N 1.009 121.545 120.500 0.061 0.000 3.422 214 R HA 0.015 4.373 4.340 0.031 0.000 0.267 214 R C 1.462 177.794 176.300 0.054 0.000 1.074 214 R CA 1.789 57.918 56.100 0.048 0.000 0.718 214 R CB -2.948 27.369 30.300 0.029 0.000 1.157 214 R HN 1.746 nan 8.270 nan 0.000 0.440 215 G N -3.220 105.625 108.800 0.076 0.000 2.284 215 G HA2 0.177 4.156 3.960 0.031 0.000 0.247 215 G HA3 0.177 4.156 3.960 0.031 0.000 0.247 215 G C 0.968 175.897 174.900 0.048 0.000 1.012 215 G CA 1.339 46.498 45.100 0.099 0.000 0.618 215 G HN 2.480 nan 8.290 nan 0.000 0.521 216 A N -0.307 122.529 122.820 0.026 0.000 2.259 216 A HA 0.863 5.202 4.320 0.031 0.000 0.278 216 A C 0.537 178.141 177.584 0.033 0.000 1.107 216 A CA 0.462 52.492 52.037 -0.013 0.000 0.828 216 A CB 0.992 19.983 19.000 -0.014 0.000 1.111 216 A HN 1.936 nan 8.150 nan 0.000 0.498 217 V N -1.680 118.242 119.914 0.013 0.000 2.735 217 V HA 0.768 4.907 4.120 0.031 0.000 0.310 217 V C -0.847 175.349 176.094 0.171 0.000 1.061 217 V CA -0.696 61.677 62.300 0.122 0.000 0.913 217 V CB 1.262 33.097 31.823 0.020 0.000 1.005 217 V HN 0.682 nan 8.190 nan 0.000 0.428 218 L N 4.756 126.130 121.223 0.251 0.000 2.343 218 L HA 0.583 4.942 4.340 0.031 0.000 0.278 218 L C -2.589 174.332 176.870 0.085 0.000 0.996 218 L CA -1.784 53.147 54.840 0.152 0.000 0.831 218 L CB 2.479 44.593 42.059 0.091 0.000 1.232 218 L HN 0.444 nan 8.230 nan 0.000 0.413 219 P HA 0.220 nan 4.420 nan 0.000 0.271 219 P C 0.253 177.436 177.300 -0.194 0.000 1.216 219 P CA 0.063 62.882 63.100 -0.469 0.000 0.771 219 P CB 1.333 32.733 31.700 -0.501 0.000 0.864 220 I N 2.164 122.601 120.570 -0.221 0.000 3.136 220 I HA 0.193 4.381 4.170 0.031 0.000 0.262 220 I C 1.064 177.210 176.117 0.048 0.000 1.132 220 I CA 0.474 61.750 61.300 -0.041 0.000 1.450 220 I CB 0.108 38.082 38.000 -0.043 0.000 1.315 220 I HN 0.393 nan 8.210 nan 0.000 0.460 221 R N -0.450 120.014 120.500 -0.060 0.000 2.728 221 R HA 0.526 4.885 4.340 0.031 0.000 0.274 221 R C -1.619 174.627 176.300 -0.091 0.000 1.030 221 R CA -0.817 55.300 56.100 0.028 0.000 0.876 221 R CB 1.579 31.920 30.300 0.068 0.000 1.259 221 R HN -0.258 nan 8.270 nan 0.000 0.468 222 V N 2.420 122.314 119.914 -0.033 0.000 2.408 222 V HA 0.069 4.208 4.120 0.031 0.000 0.267 222 V C 0.962 177.051 176.094 -0.008 0.000 1.047 222 V CA -0.198 62.077 62.300 -0.042 0.000 0.937 222 V CB 0.776 32.584 31.823 -0.025 0.000 0.999 222 V HN 0.793 nan 8.190 nan 0.000 0.472 223 H N 3.825 122.842 119.070 -0.089 0.000 2.370 223 H HA 0.124 4.699 4.556 0.032 0.000 0.304 223 H C 0.243 175.500 175.328 -0.118 0.000 1.055 223 H CA 1.247 57.245 56.048 -0.082 0.000 1.373 223 H CB 0.970 30.705 29.762 -0.044 0.000 1.423 223 H HN 0.590 nan 8.280 nan 0.000 0.533 224 T N 1.268 115.882 114.554 0.100 0.000 2.956 224 T HA 0.494 4.863 4.350 0.031 0.000 0.312 224 T C -0.635 174.067 174.700 0.003 0.000 1.151 224 T CA -0.597 61.514 62.100 0.019 0.000 1.024 224 T CB 2.253 71.247 68.868 0.209 0.000 1.140 224 T HN 0.113 nan 8.240 nan 0.000 0.473 225 I N 2.238 122.780 120.570 -0.047 0.000 2.498 225 I HA 0.568 4.756 4.170 0.031 0.000 0.290 225 I C -0.702 175.504 176.117 0.148 0.000 1.032 225 I CA -1.157 60.180 61.300 0.061 0.000 1.073 225 I CB 2.120 40.173 38.000 0.087 0.000 1.251 225 I HN 0.277 nan 8.210 nan 0.000 0.426 226 V N 7.038 127.051 119.914 0.166 0.000 2.459 226 V HA 0.541 4.680 4.120 0.031 0.000 0.295 226 V C -0.146 176.057 176.094 0.181 0.000 1.029 226 V CA -0.478 61.938 62.300 0.193 0.000 0.874 226 V CB 1.929 33.841 31.823 0.147 0.000 0.985 226 V HN 0.468 nan 8.190 nan 0.000 0.438 227 I N 2.977 123.667 120.570 0.201 0.000 2.499 227 I HA 0.484 4.673 4.170 0.031 0.000 0.288 227 I C -0.406 175.850 176.117 0.231 0.000 1.048 227 I CA -0.155 61.267 61.300 0.203 0.000 1.062 227 I CB 2.292 40.410 38.000 0.197 0.000 1.238 227 I HN 0.520 nan 8.210 nan 0.000 0.426 228 S N 4.816 120.678 115.700 0.270 0.000 2.519 228 S HA 0.672 5.161 4.470 0.031 0.000 0.309 228 S C -0.951 173.935 174.600 0.477 0.000 1.100 228 S CA -0.610 57.825 58.200 0.391 0.000 1.059 228 S CB 2.357 65.765 63.200 0.346 0.000 1.008 228 S HN 0.402 nan 8.310 nan 0.000 0.478 229 V N 4.036 124.202 119.914 0.420 0.000 2.808 229 V HA 0.457 4.596 4.120 0.031 0.000 0.308 229 V C -0.615 175.246 176.094 -0.389 0.000 1.099 229 V CA -0.701 61.646 62.300 0.078 0.000 0.920 229 V CB 1.995 33.894 31.823 0.127 0.000 1.014 229 V HN 0.942 nan 8.190 nan 0.000 0.425 230 Q N 4.224 123.374 119.800 -1.082 0.000 2.361 230 Q HA 0.315 4.674 4.340 0.031 0.000 0.276 230 Q C -0.915 174.954 176.000 -0.220 0.000 1.022 230 Q CA 0.391 55.547 55.803 -1.078 0.000 0.898 230 Q CB 0.518 28.785 28.738 -0.786 0.000 1.246 230 Q HN 1.020 nan 8.270 nan 0.000 0.410 231 H N -0.394 118.625 119.070 -0.084 0.000 3.008 231 H HA 0.389 4.964 4.556 0.031 0.000 0.354 231 H C -1.389 174.008 175.328 0.116 0.000 1.252 231 H CA -1.083 55.049 56.048 0.140 0.000 1.117 231 H CB 0.588 30.491 29.762 0.235 0.000 1.857 231 H HN 0.672 nan 8.280 nan 0.000 0.547 232 D N -0.276 120.303 120.400 0.300 0.000 2.371 232 D HA 0.008 4.666 4.640 0.031 0.000 0.242 232 D C 0.531 176.956 176.300 0.209 0.000 1.218 232 D CA -0.442 53.671 54.000 0.189 0.000 0.945 232 D CB 0.707 41.623 40.800 0.194 0.000 1.137 232 D HN 0.770 nan 8.370 nan 0.000 0.464 233 E N -0.455 119.816 120.200 0.118 0.000 2.347 233 E HA -0.132 4.237 4.350 0.031 0.000 0.196 233 E C 1.034 177.691 176.600 0.095 0.000 1.008 233 E CA 0.830 57.289 56.400 0.100 0.000 0.852 233 E CB 0.103 29.839 29.700 0.061 0.000 0.783 233 E HN 0.512 nan 8.360 nan 0.000 0.505 234 E N 0.250 120.502 120.200 0.086 0.000 2.276 234 E HA 0.019 4.388 4.350 0.031 0.000 0.193 234 E C 0.435 177.029 176.600 -0.010 0.000 0.983 234 E CA 0.003 56.428 56.400 0.042 0.000 0.861 234 E CB 0.538 30.267 29.700 0.047 0.000 0.817 234 E HN -0.076 nan 8.360 nan 0.000 0.485 235 V N 1.613 121.498 119.914 -0.048 0.000 2.649 235 V HA 0.110 4.249 4.120 0.031 0.000 0.292 235 V C 0.324 176.253 176.094 -0.275 0.000 1.055 235 V CA -0.893 61.260 62.300 -0.245 0.000 1.023 235 V CB 0.356 31.834 31.823 -0.574 0.000 0.992 235 V HN 0.505 nan 8.190 nan 0.000 0.480 236 C N 5.858 124.994 119.300 -0.274 0.000 2.362 236 C HA 0.469 4.948 4.460 0.031 0.000 0.363 236 C C 1.514 176.323 174.990 -0.303 0.000 1.220 236 C CA -0.630 58.255 59.018 -0.223 0.000 2.379 236 C CB 0.670 28.326 27.740 -0.140 0.000 2.351 236 C HN 0.961 nan 8.230 nan 0.000 0.582 237 L N 1.407 122.498 121.223 -0.220 0.000 2.042 237 L HA -0.071 4.288 4.340 0.031 0.000 0.210 237 L C 2.235 178.998 176.870 -0.178 0.000 1.076 237 L CA 2.038 56.754 54.840 -0.206 0.000 0.749 237 L CB -0.967 41.026 42.059 -0.111 0.000 0.893 237 L HN 0.792 nan 8.230 nan 0.000 0.432 238 D N -0.847 119.470 120.400 -0.137 0.000 2.117 238 D HA -0.242 4.417 4.640 0.031 0.000 0.197 238 D C 1.932 178.154 176.300 -0.129 0.000 0.987 238 D CA 1.464 55.399 54.000 -0.107 0.000 0.829 238 D CB 0.119 40.872 40.800 -0.078 0.000 0.961 238 D HN 0.569 nan 8.370 nan 0.000 0.460 239 E N 0.425 120.518 120.200 -0.179 0.000 2.077 239 E HA -0.167 4.202 4.350 0.031 0.000 0.193 239 E C 2.244 178.701 176.600 -0.238 0.000 0.989 239 E CA 0.855 57.139 56.400 -0.192 0.000 0.800 239 E CB 0.047 29.598 29.700 -0.249 0.000 0.746 239 E HN 0.184 nan 8.360 nan 0.000 0.452 240 M N -0.126 119.223 119.600 -0.419 0.000 2.099 240 M HA -0.128 4.371 4.480 0.031 0.000 0.262 240 M C 2.476 178.729 176.300 -0.078 0.000 1.067 240 M CA 1.495 56.539 55.300 -0.427 0.000 1.124 240 M CB -0.221 32.004 32.600 -0.625 0.000 1.353 240 M HN 0.043 nan 8.290 nan 0.000 0.410 241 R N 0.200 120.649 120.500 -0.085 0.000 2.081 241 R HA -0.167 4.191 4.340 0.031 0.000 0.235 241 R C 1.835 178.124 176.300 -0.019 0.000 1.131 241 R CA 1.811 57.897 56.100 -0.024 0.000 0.960 241 R CB -0.508 29.771 30.300 -0.034 0.000 0.856 241 R HN 0.408 nan 8.270 nan 0.000 0.436 242 D N 0.512 120.893 120.400 -0.032 0.000 2.097 242 D HA -0.147 4.512 4.640 0.031 0.000 0.195 242 D C 1.852 178.164 176.300 0.020 0.000 0.989 242 D CA 1.582 55.568 54.000 -0.023 0.000 0.827 242 D CB 0.016 40.800 40.800 -0.025 0.000 0.966 242 D HN 0.214 nan 8.370 nan 0.000 0.456 243 A N 0.106 122.975 122.820 0.082 0.000 1.902 243 A HA -0.088 4.250 4.320 0.031 0.000 0.217 243 A C 2.427 180.093 177.584 0.136 0.000 1.181 243 A CA 1.154 53.283 52.037 0.154 0.000 0.623 243 A CB -0.895 18.315 19.000 0.350 0.000 0.818 243 A HN 0.390 nan 8.150 nan 0.000 0.443 244 L N -0.917 120.397 121.223 0.152 0.000 2.083 244 L HA -0.198 4.161 4.340 0.031 0.000 0.209 244 L C 2.615 179.524 176.870 0.066 0.000 1.083 244 L CA 1.797 56.716 54.840 0.131 0.000 0.752 244 L CB -0.374 41.778 42.059 0.155 0.000 0.899 244 L HN 0.361 nan 8.230 nan 0.000 0.433 245 K N 0.248 120.649 120.400 0.002 0.000 2.001 245 K HA -0.146 4.193 4.320 0.031 0.000 0.208 245 K C 2.015 178.594 176.600 -0.036 0.000 1.048 245 K CA 1.445 57.684 56.287 -0.079 0.000 0.932 245 K CB -0.044 32.330 32.500 -0.211 0.000 0.715 245 K HN 0.095 nan 8.250 nan 0.000 0.437 246 E N 0.317 120.506 120.200 -0.018 0.000 2.112 246 E HA -0.039 4.329 4.350 0.031 0.000 0.190 246 E C 1.605 178.213 176.600 0.014 0.000 0.979 246 E CA 0.896 57.291 56.400 -0.007 0.000 0.814 246 E CB 0.084 29.781 29.700 -0.005 0.000 0.762 246 E HN 0.202 nan 8.360 nan 0.000 0.460 247 K N 0.175 120.592 120.400 0.029 0.000 2.354 247 K HA 0.164 4.503 4.320 0.031 0.000 0.194 247 K C 1.927 178.543 176.600 0.027 0.000 1.045 247 K CA 0.163 56.466 56.287 0.026 0.000 1.026 247 K CB 0.805 33.322 32.500 0.029 0.000 0.866 247 K HN -0.020 nan 8.250 nan 0.000 0.530 248 V N 0.631 120.571 119.914 0.043 0.000 2.784 248 V HA 0.061 4.200 4.120 0.031 0.000 0.231 248 V C 2.165 178.299 176.094 0.066 0.000 1.128 248 V CA 0.332 62.663 62.300 0.052 0.000 1.178 248 V CB -0.247 31.617 31.823 0.069 0.000 0.943 248 V HN -0.033 nan 8.190 nan 0.000 0.500 249 I N 0.285 120.904 120.570 0.083 0.000 2.142 249 I HA -0.254 3.935 4.170 0.031 0.000 0.240 249 I C 2.495 178.666 176.117 0.090 0.000 1.078 249 I CA 1.792 63.158 61.300 0.110 0.000 1.343 249 I CB -0.367 37.727 38.000 0.157 0.000 1.046 249 I HN 0.261 nan 8.210 nan 0.000 0.405 250 K N 0.690 121.126 120.400 0.060 0.000 2.283 250 K HA -0.067 4.271 4.320 0.031 0.000 0.202 250 K C 1.991 178.616 176.600 0.042 0.000 1.048 250 K CA 1.197 57.514 56.287 0.049 0.000 0.948 250 K CB -0.135 32.379 32.500 0.024 0.000 0.742 250 K HN 0.320 nan 8.250 nan 0.000 0.458 251 A N 0.481 123.324 122.820 0.038 0.000 2.167 251 A HA 0.009 4.347 4.320 0.031 0.000 0.214 251 A C 1.897 179.502 177.584 0.035 0.000 1.151 251 A CA 0.736 52.789 52.037 0.028 0.000 0.735 251 A CB 0.179 19.189 19.000 0.018 0.000 0.802 251 A HN 0.052 nan 8.150 nan 0.000 0.467 252 V N -1.416 118.532 119.914 0.055 0.000 2.996 252 V HA 0.080 4.219 4.120 0.031 0.000 0.235 252 V C 0.490 176.638 176.094 0.090 0.000 1.205 252 V CA 0.484 62.824 62.300 0.066 0.000 1.225 252 V CB 0.556 32.423 31.823 0.075 0.000 0.995 252 V HN 0.114 nan 8.190 nan 0.000 0.484 253 V N 2.967 122.947 119.914 0.110 0.000 2.383 253 V HA 0.345 4.484 4.120 0.031 0.000 0.275 253 V C -2.346 173.833 176.094 0.142 0.000 1.036 253 V CA -1.752 60.641 62.300 0.155 0.000 0.889 253 V CB 0.765 32.690 31.823 0.170 0.000 0.985 253 V HN 0.333 nan 8.190 nan 0.000 0.459 254 P HA 0.041 nan 4.420 nan 0.000 0.264 254 P C 0.745 178.039 177.300 -0.010 0.000 1.183 254 P CA 0.213 63.317 63.100 0.007 0.000 0.763 254 P CB 0.746 32.362 31.700 -0.139 0.000 0.807 255 A N 5.004 127.806 122.820 -0.029 0.000 2.024 255 A HA -0.239 4.100 4.320 0.031 0.000 0.220 255 A C 1.826 179.382 177.584 -0.047 0.000 1.164 255 A CA 1.803 53.833 52.037 -0.011 0.000 0.643 255 A CB -0.957 18.034 19.000 -0.014 0.000 0.806 255 A HN 0.698 nan 8.150 nan 0.000 0.451 256 K N -1.907 118.398 120.400 -0.160 0.000 2.280 256 K HA -0.153 4.186 4.320 0.031 0.000 0.202 256 K C 1.069 177.578 176.600 -0.151 0.000 1.047 256 K CA 1.569 57.733 56.287 -0.205 0.000 0.942 256 K CB -0.430 31.872 32.500 -0.330 0.000 0.739 256 K HN 0.473 nan 8.250 nan 0.000 0.457 257 Y N 1.250 121.548 120.300 -0.004 0.000 2.482 257 Y HA 0.311 4.879 4.550 0.031 0.000 0.270 257 Y C 0.546 176.443 175.900 -0.005 0.000 1.152 257 Y CA -0.390 57.702 58.100 -0.014 0.000 1.292 257 Y CB 0.270 38.719 38.460 -0.018 0.000 1.070 257 Y HN -0.093 nan 8.280 nan 0.000 0.528 258 L N 1.606 122.917 121.223 0.146 0.000 2.307 258 L HA 0.421 4.779 4.340 0.031 0.000 0.284 258 L C -0.679 176.240 176.870 0.081 0.000 1.023 258 L CA -0.747 54.163 54.840 0.118 0.000 0.810 258 L CB 1.501 43.655 42.059 0.159 0.000 1.231 258 L HN 0.087 nan 8.230 nan 0.000 0.423 259 D N -0.505 119.932 120.400 0.063 0.000 2.812 259 D HA 0.119 4.778 4.640 0.031 0.000 0.318 259 D C 0.342 176.670 176.300 0.046 0.000 1.234 259 D CA -0.594 53.432 54.000 0.044 0.000 0.989 259 D CB 0.875 41.689 40.800 0.024 0.000 1.442 259 D HN 0.072 nan 8.370 nan 0.000 0.537 260 E N -0.973 119.245 120.200 0.029 0.000 2.265 260 E HA -0.089 4.279 4.350 0.031 0.000 0.196 260 E C 0.450 177.053 176.600 0.006 0.000 0.996 260 E CA 1.488 57.904 56.400 0.028 0.000 0.832 260 E CB -0.461 29.248 29.700 0.015 0.000 0.756 260 E HN 0.440 nan 8.360 nan 0.000 0.491 261 D N -0.185 120.200 120.400 -0.025 0.000 2.354 261 D HA 0.022 4.681 4.640 0.031 0.000 0.209 261 D C 0.493 176.700 176.300 -0.154 0.000 1.015 261 D CA 0.323 54.277 54.000 -0.077 0.000 0.867 261 D CB 0.006 40.757 40.800 -0.081 0.000 0.933 261 D HN 0.218 nan 8.370 nan 0.000 0.520 262 T N 1.709 116.174 114.554 -0.147 0.000 2.934 262 T HA 0.115 4.484 4.350 0.031 0.000 0.306 262 T C 0.819 175.264 174.700 -0.425 0.000 1.042 262 T CA 0.203 62.118 62.100 -0.309 0.000 1.145 262 T CB 0.861 69.539 68.868 -0.317 0.000 0.982 262 T HN -0.038 nan 8.240 nan 0.000 0.544 263 I N 3.185 123.462 120.570 -0.489 0.000 2.353 263 I HA 0.335 4.524 4.170 0.031 0.000 0.293 263 I C -0.746 175.037 176.117 -0.555 0.000 0.992 263 I CA -0.757 60.299 61.300 -0.406 0.000 1.268 263 I CB 0.865 38.699 38.000 -0.278 0.000 1.387 263 I HN 0.584 nan 8.210 nan 0.000 0.478 264 Y N 4.320 124.495 120.300 -0.209 0.000 2.328 264 Y HA 0.402 4.972 4.550 0.032 0.000 0.336 264 Y C -0.083 175.661 175.900 -0.259 0.000 0.960 264 Y CA -0.698 57.319 58.100 -0.139 0.000 1.134 264 Y CB 1.056 39.478 38.460 -0.064 0.000 1.166 264 Y HN 0.421 nan 8.280 nan 0.000 0.464 265 H N 5.662 124.831 119.070 0.164 0.000 2.697 265 H HA 0.399 4.974 4.556 0.031 0.000 0.270 265 H C -1.073 174.337 175.328 0.137 0.000 1.188 265 H CA -0.371 55.750 56.048 0.122 0.000 1.322 265 H CB 0.745 30.557 29.762 0.083 0.000 1.405 265 H HN 0.585 nan 8.280 nan 0.000 0.502 266 L N 3.292 124.644 121.223 0.215 0.000 2.305 266 L HA 0.191 4.550 4.340 0.031 0.000 0.284 266 L C 0.262 177.223 176.870 0.151 0.000 1.013 266 L CA -0.839 54.107 54.840 0.177 0.000 0.819 266 L CB 1.479 43.617 42.059 0.132 0.000 1.227 266 L HN 0.440 nan 8.230 nan 0.000 0.417 267 Q N 1.697 121.602 119.800 0.174 0.000 2.439 267 Q HA -0.165 4.194 4.340 0.031 0.000 0.325 267 Q C -1.704 174.382 176.000 0.143 0.000 1.372 267 Q CA 0.315 56.222 55.803 0.173 0.000 0.909 267 Q CB -1.050 27.755 28.738 0.111 0.000 1.167 267 Q HN 0.596 nan 8.270 nan 0.000 0.418 268 P HA -0.115 nan 4.420 nan 0.000 0.226 268 P C 1.207 178.552 177.300 0.075 0.000 1.153 268 P CA 1.538 64.710 63.100 0.121 0.000 0.777 268 P CB 0.067 31.831 31.700 0.107 0.000 0.794 269 S N -1.175 114.566 115.700 0.068 0.000 2.481 269 S HA 0.131 4.620 4.470 0.031 0.000 0.231 269 S C 1.905 176.544 174.600 0.066 0.000 0.996 269 S CA 1.037 59.261 58.200 0.040 0.000 0.942 269 S CB -1.342 61.858 63.200 -0.001 0.000 0.768 269 S HN 0.307 nan 8.310 nan 0.000 0.520 270 G N 1.155 110.011 108.800 0.092 0.000 2.284 270 G HA2 -0.305 3.673 3.960 0.031 0.000 0.247 270 G HA3 -0.305 3.673 3.960 0.031 0.000 0.247 270 G C 0.140 175.117 174.900 0.130 0.000 1.012 270 G CA 0.227 45.378 45.100 0.084 0.000 0.618 270 G HN 0.860 nan 8.290 nan 0.000 0.521 271 R N -1.318 119.303 120.500 0.202 0.000 2.560 271 R HA 0.527 4.885 4.340 0.031 0.000 0.267 271 R C -1.999 174.520 176.300 0.365 0.000 1.150 271 R CA -0.830 55.462 56.100 0.320 0.000 0.997 271 R CB 0.628 31.040 30.300 0.188 0.000 1.250 271 R HN 0.402 nan 8.270 nan 0.000 0.433 272 F N 5.970 126.056 119.950 0.227 0.000 2.664 272 F HA 0.266 4.812 4.527 0.031 0.000 0.353 272 F C -0.649 174.931 175.800 -0.366 0.000 1.498 272 F CA -0.608 57.396 58.000 0.007 0.000 1.109 272 F CB 0.525 39.625 39.000 0.166 0.000 1.728 272 F HN 0.291 nan 8.300 nan 0.000 0.580 273 V N 1.791 121.628 119.914 -0.128 0.000 2.426 273 V HA 0.028 4.167 4.120 0.031 0.000 0.242 273 V C 1.443 177.531 176.094 -0.011 0.000 1.036 273 V CA 1.002 63.169 62.300 -0.222 0.000 1.044 273 V CB -0.126 31.620 31.823 -0.128 0.000 0.688 273 V HN 0.254 nan 8.190 nan 0.000 0.462 274 I N 0.800 121.423 120.570 0.088 0.000 2.533 274 I HA 0.470 4.658 4.170 0.031 0.000 0.284 274 I C 0.702 176.964 176.117 0.243 0.000 1.109 274 I CA 0.805 62.177 61.300 0.120 0.000 1.412 274 I CB 0.328 38.379 38.000 0.086 0.000 1.396 274 I HN 0.301 nan 8.210 nan 0.000 0.543 275 G N 2.968 111.889 108.800 0.202 0.000 2.634 275 G HA2 0.618 4.596 3.960 0.031 0.000 0.309 275 G HA3 0.618 4.596 3.960 0.031 0.000 0.309 275 G C -0.337 174.643 174.900 0.133 0.000 1.299 275 G CA -0.157 45.119 45.100 0.294 0.000 0.798 275 G HN 0.990 nan 8.290 nan 0.000 0.490 276 G N -0.283 108.589 108.800 0.119 0.000 2.601 276 G HA2 -0.095 3.884 3.960 0.031 0.000 0.261 276 G HA3 -0.095 3.884 3.960 0.031 0.000 0.261 276 G C -1.186 173.622 174.900 -0.154 0.000 1.289 276 G CA 0.501 45.534 45.100 -0.113 0.000 0.920 276 G HN 0.737 nan 8.290 nan 0.000 0.571 277 P HA -0.064 nan 4.420 nan 0.000 0.219 277 P C 1.765 179.052 177.300 -0.023 0.000 1.146 277 P CA 1.916 64.932 63.100 -0.139 0.000 0.808 277 P CB -0.056 31.537 31.700 -0.178 0.000 0.779 278 Q N -0.384 119.424 119.800 0.014 0.000 2.124 278 Q HA -0.112 4.247 4.340 0.031 0.000 0.202 278 Q C 2.073 178.084 176.000 0.020 0.000 0.977 278 Q CA 1.925 57.748 55.803 0.034 0.000 0.850 278 Q CB -0.900 27.866 28.738 0.046 0.000 0.901 278 Q HN 0.201 nan 8.270 nan 0.000 0.429 279 G N -0.573 108.240 108.800 0.022 0.000 2.511 279 G HA2 -0.100 3.879 3.960 0.031 0.000 0.217 279 G HA3 -0.100 3.879 3.960 0.031 0.000 0.217 279 G C -0.371 174.518 174.900 -0.017 0.000 1.133 279 G CA 0.575 45.687 45.100 0.020 0.000 0.792 279 G HN 0.418 nan 8.290 nan 0.000 0.539 280 D N -1.418 118.960 120.400 -0.036 0.000 2.795 280 D HA 0.461 5.119 4.640 0.031 0.000 0.206 280 D C -0.179 176.082 176.300 -0.064 0.000 1.278 280 D CA -0.393 53.575 54.000 -0.054 0.000 0.839 280 D CB 0.837 41.590 40.800 -0.078 0.000 1.700 280 D HN 0.229 nan 8.370 nan 0.000 0.549 281 A N 2.151 124.946 122.820 -0.041 0.000 2.498 281 A HA 0.575 4.914 4.320 0.031 0.000 0.239 281 A C 0.794 178.352 177.584 -0.044 0.000 1.068 281 A CA 0.602 52.617 52.037 -0.036 0.000 0.766 281 A CB 0.276 19.265 19.000 -0.019 0.000 1.003 281 A HN 0.561 nan 8.150 nan 0.000 0.497 282 G N 0.304 109.075 108.800 -0.048 0.000 2.420 282 G HA2 0.605 4.583 3.960 0.031 0.000 0.331 282 G HA3 0.605 4.583 3.960 0.031 0.000 0.331 282 G C -0.891 174.003 174.900 -0.011 0.000 1.168 282 G CA -0.640 44.442 45.100 -0.029 0.000 0.936 282 G HN 0.726 nan 8.290 nan 0.000 0.479 283 L N 0.323 121.551 121.223 0.007 0.000 2.434 283 L HA 0.406 4.764 4.340 0.031 0.000 0.260 283 L C 0.215 177.088 176.870 0.006 0.000 0.983 283 L CA -1.007 53.833 54.840 0.001 0.000 0.820 283 L CB 2.509 44.564 42.059 -0.006 0.000 1.361 283 L HN 0.431 nan 8.230 nan 0.000 0.410 284 T N 0.939 115.493 114.554 0.000 0.000 2.946 284 T HA 0.288 4.657 4.350 0.031 0.000 0.311 284 T C 0.972 175.661 174.700 -0.018 0.000 1.063 284 T CA 1.132 63.232 62.100 0.000 0.000 1.139 284 T CB 0.688 69.555 68.868 -0.002 0.000 0.994 284 T HN 1.059 nan 8.240 nan 0.000 0.547 285 G N 2.446 111.230 108.800 -0.027 0.000 2.160 285 G HA2 -0.235 3.744 3.960 0.031 0.000 0.244 285 G HA3 -0.235 3.744 3.960 0.031 0.000 0.244 285 G C 0.782 175.631 174.900 -0.084 0.000 1.022 285 G CA -0.305 44.752 45.100 -0.070 0.000 0.741 285 G HN 0.606 nan 8.290 nan 0.000 0.508 286 R N -0.518 119.949 120.500 -0.055 0.000 2.509 286 R HA 0.182 4.541 4.340 0.031 0.000 0.300 286 R C 0.671 176.933 176.300 -0.062 0.000 0.985 286 R CA -0.046 56.024 56.100 -0.051 0.000 1.092 286 R CB 0.400 30.695 30.300 -0.009 0.000 1.237 286 R HN 0.229 nan 8.270 nan 0.000 0.546 287 K N 1.292 121.643 120.400 -0.082 0.000 3.239 287 K HA 0.211 4.549 4.320 0.031 0.000 0.204 287 K C 1.212 177.743 176.600 -0.115 0.000 1.126 287 K CA -0.028 56.205 56.287 -0.089 0.000 0.948 287 K CB 0.621 33.075 32.500 -0.076 0.000 0.818 287 K HN 0.164 nan 8.250 nan 0.000 0.480 288 I N -2.742 117.708 120.570 -0.201 0.000 2.676 288 I HA -0.085 4.103 4.170 0.031 0.000 0.259 288 I C 1.165 177.162 176.117 -0.200 0.000 1.194 288 I CA 0.711 61.820 61.300 -0.318 0.000 1.473 288 I CB -0.038 37.620 38.000 -0.570 0.000 1.096 288 I HN -0.070 nan 8.210 nan 0.000 0.443 289 I N 1.081 121.582 120.570 -0.116 0.000 2.480 289 I HA -0.075 4.114 4.170 0.031 0.000 0.251 289 I C 2.693 178.858 176.117 0.079 0.000 1.124 289 I CA 0.918 62.232 61.300 0.024 0.000 1.444 289 I CB -0.788 37.217 38.000 0.009 0.000 1.098 289 I HN 0.144 nan 8.210 nan 0.000 0.428 290 V N 1.308 121.253 119.914 0.051 0.000 2.392 290 V HA -0.270 3.869 4.120 0.031 0.000 0.249 290 V C 2.030 178.253 176.094 0.216 0.000 1.059 290 V CA 1.830 64.204 62.300 0.123 0.000 1.051 290 V CB -0.648 31.220 31.823 0.074 0.000 0.658 290 V HN 0.331 nan 8.190 nan 0.000 0.455 291 D N -0.359 120.112 120.400 0.119 0.000 2.310 291 D HA -0.059 4.600 4.640 0.031 0.000 0.212 291 D C 1.827 178.182 176.300 0.091 0.000 0.965 291 D CA 1.604 55.700 54.000 0.161 0.000 0.879 291 D CB 0.155 40.943 40.800 -0.019 0.000 0.921 291 D HN 0.718 nan 8.370 nan 0.000 0.510 292 T N -2.646 111.948 114.554 0.066 0.000 2.638 292 T HA 0.083 4.452 4.350 0.031 0.000 0.169 292 T C 0.883 175.506 174.700 -0.128 0.000 0.790 292 T CA -0.275 61.768 62.100 -0.094 0.000 1.151 292 T CB -0.113 68.777 68.868 0.036 0.000 2.581 292 T HN -0.091 nan 8.240 nan 0.000 0.391 293 Y N 1.050 121.593 120.300 0.407 0.000 2.641 293 Y HA 0.589 5.160 4.550 0.035 0.000 0.248 293 Y C 1.681 177.783 175.900 0.336 0.000 1.170 293 Y CA -0.651 57.663 58.100 0.357 0.000 1.201 293 Y CB 0.354 38.967 38.460 0.255 0.000 1.232 293 Y HN 0.895 nan 8.280 nan 0.000 0.537 294 G N 0.367 109.381 108.800 0.357 0.000 2.198 294 G HA2 -0.060 3.919 3.960 0.031 0.000 0.260 294 G HA3 -0.060 3.919 3.960 0.031 0.000 0.260 294 G C 1.217 176.316 174.900 0.331 0.000 1.025 294 G CA 0.599 45.888 45.100 0.316 0.000 0.769 294 G HN 1.213 nan 8.290 nan 0.000 0.507 295 G N -2.501 106.458 108.800 0.266 0.000 2.254 295 G HA2 -0.259 3.720 3.960 0.031 0.000 0.225 295 G HA3 -0.259 3.720 3.960 0.031 0.000 0.225 295 G C 0.609 175.619 174.900 0.183 0.000 1.003 295 G CA 0.385 45.596 45.100 0.186 0.000 0.622 295 G HN 1.093 nan 8.290 nan 0.000 0.507 296 W N 1.083 122.411 121.300 0.047 0.000 2.093 296 W HA 0.453 5.128 4.660 0.025 0.000 0.352 296 W C 1.466 177.655 176.519 -0.550 0.000 1.294 296 W CA 1.696 58.796 57.345 -0.408 0.000 1.290 296 W CB 0.270 29.331 29.460 -0.665 0.000 1.149 296 W HN 1.240 nan 8.180 nan 0.000 0.606 297 G N 0.513 108.981 108.800 -0.554 0.000 2.556 297 G HA2 0.121 4.100 3.960 0.031 0.000 0.283 297 G HA3 0.121 4.100 3.960 0.031 0.000 0.283 297 G C -0.455 174.289 174.900 -0.260 0.000 1.177 297 G CA 0.467 45.286 45.100 -0.469 0.000 0.978 297 G HN 1.503 nan 8.290 nan 0.000 0.554 298 A N -2.036 120.597 122.820 -0.312 0.000 2.581 298 A HA 0.776 5.115 4.320 0.031 0.000 0.290 298 A C -1.045 176.392 177.584 -0.245 0.000 1.119 298 A CA 0.587 52.299 52.037 -0.543 0.000 0.670 298 A CB 1.693 19.831 19.000 -1.436 0.000 1.280 298 A HN 1.759 nan 8.150 nan 0.000 0.425 299 H N -0.848 118.120 119.070 -0.170 0.000 2.894 299 H HA 0.511 5.086 4.556 0.031 0.000 0.367 299 H C 0.724 176.290 175.328 0.396 0.000 1.144 299 H CA 0.293 56.473 56.048 0.221 0.000 1.180 299 H CB 2.172 32.005 29.762 0.118 0.000 1.758 299 H HN 0.881 nan 8.280 nan 0.000 0.541 300 G N 0.686 109.839 108.800 0.587 0.000 2.880 300 G HA2 0.250 4.229 3.960 0.031 0.000 0.209 300 G HA3 0.250 4.229 3.960 0.031 0.000 0.209 300 G C 1.023 176.142 174.900 0.365 0.000 1.157 300 G CA 0.573 45.941 45.100 0.446 0.000 0.779 300 G HN 0.948 nan 8.290 nan 0.000 0.539 301 G N -1.201 107.926 108.800 0.546 0.000 2.238 301 G HA2 -0.025 3.954 3.960 0.031 0.000 0.217 301 G HA3 -0.025 3.954 3.960 0.031 0.000 0.217 301 G C 0.762 175.720 174.900 0.097 0.000 0.996 301 G CA 0.147 45.356 45.100 0.181 0.000 0.632 301 G HN 1.052 nan 8.290 nan 0.000 0.503 302 G N 0.679 109.596 108.800 0.195 0.000 2.432 302 G HA2 0.712 4.691 3.960 0.031 0.000 0.257 302 G HA3 0.712 4.691 3.960 0.031 0.000 0.257 302 G C 0.420 175.320 174.900 -0.001 0.000 1.238 302 G CA 0.907 46.058 45.100 0.086 0.000 0.838 302 G HN 1.452 nan 8.290 nan 0.000 0.547 303 A N 1.119 123.895 122.820 -0.074 0.000 2.304 303 A HA 0.688 5.026 4.320 0.031 0.000 0.271 303 A C 0.419 177.980 177.584 -0.038 0.000 1.091 303 A CA -0.438 51.502 52.037 -0.161 0.000 0.812 303 A CB 0.531 19.471 19.000 -0.100 0.000 1.056 303 A HN 0.538 nan 8.150 nan 0.000 0.489 304 F N 0.518 120.389 119.950 -0.131 0.000 2.274 304 F HA 0.124 4.670 4.527 0.030 0.000 0.288 304 F C 1.621 177.335 175.800 -0.143 0.000 1.069 304 F CA 0.079 57.955 58.000 -0.206 0.000 1.343 304 F CB -1.009 37.775 39.000 -0.361 0.000 1.089 304 F HN 0.350 nan 8.300 nan 0.000 0.517 305 S N -0.428 115.355 115.700 0.138 0.000 2.576 305 S HA 0.413 4.902 4.470 0.031 0.000 0.276 305 S C 1.180 175.780 174.600 -0.001 0.000 1.339 305 S CA 0.350 58.605 58.200 0.091 0.000 1.039 305 S CB 0.554 63.829 63.200 0.125 0.000 0.902 305 S HN 0.695 nan 8.310 nan 0.000 0.516 306 G N 1.950 110.728 108.800 -0.037 0.000 2.159 306 G HA2 -0.219 3.759 3.960 0.031 0.000 0.256 306 G HA3 -0.219 3.759 3.960 0.031 0.000 0.256 306 G C -0.299 174.532 174.900 -0.114 0.000 0.977 306 G CA -0.007 45.059 45.100 -0.056 0.000 0.652 306 G HN 0.580 nan 8.290 nan 0.000 0.531 307 K N 1.313 121.601 120.400 -0.187 0.000 2.345 307 K HA 0.418 4.757 4.320 0.031 0.000 0.255 307 K C -0.087 176.317 176.600 -0.326 0.000 0.934 307 K CA -0.646 55.510 56.287 -0.218 0.000 0.801 307 K CB 1.830 34.219 32.500 -0.185 0.000 1.137 307 K HN 0.396 nan 8.250 nan 0.000 0.424 308 D N 1.734 121.976 120.400 -0.264 0.000 2.398 308 D HA -0.066 4.592 4.640 0.031 0.000 0.247 308 D C 1.027 177.183 176.300 -0.239 0.000 1.227 308 D CA -0.278 53.581 54.000 -0.235 0.000 0.980 308 D CB 0.451 41.143 40.800 -0.180 0.000 1.106 308 D HN 0.683 nan 8.370 nan 0.000 0.493 309 Y N -1.503 118.706 120.300 -0.151 0.000 2.403 309 Y HA -0.134 4.435 4.550 0.031 0.000 0.291 309 Y C 2.367 178.180 175.900 -0.145 0.000 1.143 309 Y CA 1.515 59.535 58.100 -0.133 0.000 1.257 309 Y CB -1.129 37.303 38.460 -0.047 0.000 0.984 309 Y HN 0.397 nan 8.280 nan 0.000 0.550 310 T N -2.506 111.516 114.554 -0.888 0.000 3.007 310 T HA -0.028 4.341 4.350 0.031 0.000 0.270 310 T C 0.534 175.034 174.700 -0.334 0.000 1.107 310 T CA 0.381 62.100 62.100 -0.635 0.000 1.118 310 T CB -0.368 68.138 68.868 -0.602 0.000 0.889 310 T HN 0.083 nan 8.240 nan 0.000 0.506 311 K N 2.813 123.039 120.400 -0.289 0.000 2.262 311 K HA 0.338 4.677 4.320 0.031 0.000 0.288 311 K C 1.284 177.750 176.600 -0.223 0.000 1.090 311 K CA -0.252 55.906 56.287 -0.215 0.000 0.918 311 K CB 0.849 33.239 32.500 -0.183 0.000 1.139 311 K HN 0.217 nan 8.250 nan 0.000 0.462 312 V N -0.740 119.021 119.914 -0.254 0.000 2.688 312 V HA -0.244 3.895 4.120 0.031 0.000 0.256 312 V C 1.200 177.190 176.094 -0.174 0.000 1.084 312 V CA 1.421 63.531 62.300 -0.317 0.000 1.103 312 V CB -0.282 31.150 31.823 -0.652 0.000 0.688 312 V HN 0.523 nan 8.190 nan 0.000 0.480 313 D N 0.604 120.949 120.400 -0.091 0.000 2.172 313 D HA -0.205 4.454 4.640 0.031 0.000 0.196 313 D C 2.227 178.568 176.300 0.069 0.000 0.999 313 D CA 2.139 56.154 54.000 0.026 0.000 0.856 313 D CB -0.064 40.760 40.800 0.040 0.000 0.934 313 D HN 0.589 nan 8.370 nan 0.000 0.453 314 R N 0.134 120.549 120.500 -0.141 0.000 2.051 314 R HA -0.045 4.313 4.340 0.031 0.000 0.218 314 R C 2.507 178.379 176.300 -0.713 0.000 1.188 314 R CA 1.183 56.964 56.100 -0.533 0.000 0.992 314 R CB -0.077 29.858 30.300 -0.607 0.000 0.883 314 R HN 0.150 nan 8.270 nan 0.000 0.444 315 S N 0.529 115.954 115.700 -0.458 0.000 2.370 315 S HA -0.116 4.373 4.470 0.031 0.000 0.226 315 S C 2.116 176.633 174.600 -0.138 0.000 1.033 315 S CA 1.136 59.158 58.200 -0.297 0.000 1.011 315 S CB -0.327 62.808 63.200 -0.107 0.000 0.852 315 S HN 0.448 nan 8.310 nan 0.000 0.457 316 A N 1.781 124.536 122.820 -0.110 0.000 1.968 316 A HA 0.495 4.834 4.320 0.031 0.000 0.217 316 A C 2.472 180.117 177.584 0.101 0.000 1.169 316 A CA 1.298 53.360 52.037 0.041 0.000 0.638 316 A CB -1.255 17.797 19.000 0.088 0.000 0.812 316 A HN 0.799 nan 8.150 nan 0.000 0.446 317 A N -0.949 121.916 122.820 0.076 0.000 1.902 317 A HA -0.061 4.277 4.320 0.031 0.000 0.217 317 A C 2.070 179.799 177.584 0.241 0.000 1.181 317 A CA 1.485 53.648 52.037 0.211 0.000 0.623 317 A CB -0.748 18.489 19.000 0.395 0.000 0.818 317 A HN 0.513 nan 8.150 nan 0.000 0.443 318 Y N -0.158 120.054 120.300 -0.147 0.000 2.181 318 Y HA -0.100 4.468 4.550 0.031 0.000 0.288 318 Y C 2.997 178.899 175.900 0.005 0.000 1.146 318 Y CA 0.318 58.261 58.100 -0.263 0.000 1.164 318 Y CB -1.316 36.745 38.460 -0.665 0.000 0.982 318 Y HN 0.344 nan 8.280 nan 0.000 0.515 319 A N -0.032 122.937 122.820 0.247 0.000 1.933 319 A HA -0.074 4.264 4.320 0.031 0.000 0.218 319 A C 2.525 180.252 177.584 0.238 0.000 1.175 319 A CA 1.846 54.093 52.037 0.351 0.000 0.628 319 A CB -1.056 18.135 19.000 0.318 0.000 0.814 319 A HN 0.365 nan 8.150 nan 0.000 0.444 320 A N -0.078 122.827 122.820 0.142 0.000 1.930 320 A HA -0.103 4.236 4.320 0.031 0.000 0.217 320 A C 2.147 179.760 177.584 0.048 0.000 1.175 320 A CA 2.001 54.074 52.037 0.061 0.000 0.627 320 A CB -0.424 18.636 19.000 0.099 0.000 0.815 320 A HN 0.489 nan 8.150 nan 0.000 0.443 321 R N -1.011 119.516 120.500 0.045 0.000 2.083 321 R HA -0.209 4.150 4.340 0.031 0.000 0.237 321 R C 1.790 178.172 176.300 0.137 0.000 1.137 321 R CA 2.143 58.218 56.100 -0.043 0.000 0.951 321 R CB -1.035 28.959 30.300 -0.510 0.000 0.851 321 R HN 0.639 nan 8.270 nan 0.000 0.434 322 W N 0.249 121.572 121.300 0.038 0.000 2.335 322 W HA -0.159 4.521 4.660 0.033 0.000 0.311 322 W C 1.868 178.376 176.519 -0.019 0.000 1.213 322 W CA 1.774 59.181 57.345 0.104 0.000 1.274 322 W CB -0.713 28.873 29.460 0.210 0.000 1.148 322 W HN -0.010 nan 8.180 nan 0.000 0.498 323 V N 1.344 121.100 119.914 -0.263 0.000 2.255 323 V HA -0.315 3.824 4.120 0.031 0.000 0.247 323 V C 2.580 178.515 176.094 -0.265 0.000 1.051 323 V CA 2.570 64.472 62.300 -0.663 0.000 1.018 323 V CB -1.851 29.495 31.823 -0.795 0.000 0.641 323 V HN 0.269 nan 8.190 nan 0.000 0.445 324 A N -0.348 122.388 122.820 -0.139 0.000 1.883 324 A HA -0.306 4.033 4.320 0.031 0.000 0.217 324 A C 2.357 179.900 177.584 -0.068 0.000 1.186 324 A CA 2.405 54.386 52.037 -0.094 0.000 0.624 324 A CB -0.569 18.382 19.000 -0.082 0.000 0.822 324 A HN 0.519 nan 8.150 nan 0.000 0.444 325 K N -0.337 120.057 120.400 -0.010 0.000 2.097 325 K HA -0.102 4.237 4.320 0.031 0.000 0.206 325 K C 2.219 178.838 176.600 0.032 0.000 1.049 325 K CA 1.454 57.759 56.287 0.031 0.000 0.933 325 K CB -0.153 32.420 32.500 0.122 0.000 0.717 325 K HN 0.452 nan 8.250 nan 0.000 0.442 326 S N 1.196 116.908 115.700 0.020 0.000 2.382 326 S HA -0.091 4.398 4.470 0.031 0.000 0.228 326 S C 1.802 176.413 174.600 0.017 0.000 1.027 326 S CA 0.995 59.211 58.200 0.027 0.000 0.991 326 S CB -0.157 63.063 63.200 0.033 0.000 0.823 326 S HN 0.250 nan 8.310 nan 0.000 0.469 327 L N 0.820 122.033 121.223 -0.017 0.000 2.056 327 L HA -0.076 4.283 4.340 0.031 0.000 0.207 327 L C 2.325 179.176 176.870 -0.032 0.000 1.078 327 L CA 0.875 55.696 54.840 -0.032 0.000 0.749 327 L CB -0.613 41.414 42.059 -0.055 0.000 0.901 327 L HN 0.203 nan 8.230 nan 0.000 0.433 328 V N -0.564 119.327 119.914 -0.038 0.000 2.283 328 V HA -0.204 3.935 4.120 0.031 0.000 0.243 328 V C 2.494 178.579 176.094 -0.016 0.000 1.039 328 V CA 1.422 63.697 62.300 -0.042 0.000 1.016 328 V CB -0.472 31.308 31.823 -0.072 0.000 0.650 328 V HN 0.341 nan 8.190 nan 0.000 0.449 329 K N 0.715 121.117 120.400 0.004 0.000 2.209 329 K HA -0.054 4.285 4.320 0.031 0.000 0.204 329 K C 2.012 178.630 176.600 0.029 0.000 1.048 329 K CA 1.295 57.594 56.287 0.021 0.000 0.940 329 K CB -0.837 31.686 32.500 0.039 0.000 0.729 329 K HN 0.547 nan 8.250 nan 0.000 0.451 330 G N 0.018 108.838 108.800 0.034 0.000 2.848 330 G HA2 0.070 4.048 3.960 0.031 0.000 0.208 330 G HA3 0.070 4.048 3.960 0.031 0.000 0.208 330 G C 0.923 175.859 174.900 0.059 0.000 1.152 330 G CA 0.584 45.720 45.100 0.060 0.000 0.789 330 G HN 0.370 nan 8.290 nan 0.000 0.531 331 G N -0.275 108.539 108.800 0.023 0.000 2.148 331 G HA2 -0.289 3.690 3.960 0.031 0.000 0.254 331 G HA3 -0.289 3.690 3.960 0.031 0.000 0.254 331 G C 1.093 175.990 174.900 -0.006 0.000 0.981 331 G CA 0.507 45.615 45.100 0.015 0.000 0.670 331 G HN 0.440 nan 8.290 nan 0.000 0.528 332 L N -1.152 120.049 121.223 -0.036 0.000 2.341 332 L HA 0.253 4.612 4.340 0.031 0.000 0.214 332 L C 1.170 177.994 176.870 -0.077 0.000 1.115 332 L CA 0.908 55.696 54.840 -0.087 0.000 0.820 332 L CB 0.131 42.094 42.059 -0.161 0.000 0.944 332 L HN 0.454 nan 8.230 nan 0.000 0.452 333 C N -2.310 116.953 119.300 -0.061 0.000 3.239 333 C HA 0.283 4.761 4.460 0.031 0.000 0.317 333 C C 1.261 176.216 174.990 -0.058 0.000 1.310 333 C CA -0.950 58.031 59.018 -0.063 0.000 1.371 333 C CB 2.233 29.959 27.740 -0.025 0.000 1.714 333 C HN 0.238 nan 8.230 nan 0.000 0.473 334 R N 0.023 120.487 120.500 -0.060 0.000 2.237 334 R HA 0.223 4.581 4.340 0.031 0.000 0.195 334 R C 0.663 176.900 176.300 -0.105 0.000 0.956 334 R CA 0.448 56.507 56.100 -0.068 0.000 1.029 334 R CB 0.452 30.719 30.300 -0.055 0.000 0.972 334 R HN 0.587 nan 8.270 nan 0.000 0.493 335 R N 0.392 120.845 120.500 -0.078 0.000 2.561 335 R HA 0.395 4.753 4.340 0.031 0.000 0.266 335 R C -2.154 174.189 176.300 0.072 0.000 1.091 335 R CA -0.424 55.588 56.100 -0.147 0.000 0.927 335 R CB 2.304 32.485 30.300 -0.200 0.000 1.240 335 R HN -0.068 nan 8.270 nan 0.000 0.449 336 V N 4.941 124.846 119.914 -0.015 0.000 3.000 336 V HA 0.545 4.684 4.120 0.031 0.000 0.300 336 V C -2.003 174.209 176.094 0.196 0.000 1.251 336 V CA -0.804 61.601 62.300 0.175 0.000 0.972 336 V CB 2.245 34.096 31.823 0.047 0.000 1.065 336 V HN 0.713 nan 8.190 nan 0.000 0.431 337 L N 6.304 127.735 121.223 0.346 0.000 2.341 337 L HA 0.862 5.220 4.340 0.031 0.000 0.278 337 L C -1.063 175.990 176.870 0.305 0.000 1.005 337 L CA -0.110 54.971 54.840 0.402 0.000 0.818 337 L CB 1.972 44.320 42.059 0.481 0.000 1.259 337 L HN 0.493 nan 8.230 nan 0.000 0.418 338 V N 4.887 124.963 119.914 0.269 0.000 2.448 338 V HA 0.501 4.640 4.120 0.031 0.000 0.295 338 V C -0.356 175.857 176.094 0.198 0.000 1.025 338 V CA -0.571 61.807 62.300 0.131 0.000 0.859 338 V CB 1.477 33.307 31.823 0.013 0.000 0.988 338 V HN 0.824 nan 8.190 nan 0.000 0.431 339 Q N 2.941 122.783 119.800 0.069 0.000 2.274 339 Q HA 0.801 5.160 4.340 0.031 0.000 0.260 339 Q C -1.596 174.288 176.000 -0.193 0.000 0.974 339 Q CA -0.421 55.254 55.803 -0.214 0.000 0.876 339 Q CB 2.254 30.854 28.738 -0.230 0.000 1.297 339 Q HN 0.622 nan 8.270 nan 0.000 0.446 340 V N 1.488 121.263 119.914 -0.231 0.000 3.078 340 V HA 0.702 4.841 4.120 0.031 0.000 0.311 340 V C -0.773 175.194 176.094 -0.211 0.000 1.138 340 V CA -0.676 61.510 62.300 -0.191 0.000 1.007 340 V CB 2.121 33.894 31.823 -0.083 0.000 1.045 340 V HN 0.958 nan 8.190 nan 0.000 0.432 341 S N 1.030 116.536 115.700 -0.323 0.000 2.607 341 S HA 0.883 5.372 4.470 0.031 0.000 0.273 341 S C -1.764 172.541 174.600 -0.492 0.000 1.148 341 S CA -0.708 57.357 58.200 -0.225 0.000 0.833 341 S CB 1.977 65.098 63.200 -0.132 0.000 1.130 341 S HN 0.553 nan 8.310 nan 0.000 0.470 342 Y N -0.599 119.693 120.300 -0.014 0.000 2.615 342 Y HA 0.789 5.358 4.550 0.032 0.000 0.341 342 Y C 0.046 175.946 175.900 -0.000 0.000 1.089 342 Y CA -0.854 57.245 58.100 -0.001 0.000 1.049 342 Y CB 2.184 40.643 38.460 -0.001 0.000 1.296 342 Y HN 1.118 nan 8.280 nan 0.000 0.470 343 A N 1.677 124.596 122.820 0.165 0.000 2.350 343 A HA 0.611 4.950 4.320 0.031 0.000 0.324 343 A C -0.829 176.812 177.584 0.094 0.000 1.118 343 A CA -0.826 51.270 52.037 0.098 0.000 0.783 343 A CB 0.741 19.777 19.000 0.060 0.000 1.236 343 A HN 0.841 nan 8.150 nan 0.000 0.457 344 I N 2.054 122.656 120.570 0.054 0.000 2.826 344 I HA 0.276 4.465 4.170 0.031 0.000 0.295 344 I C 1.339 177.471 176.117 0.025 0.000 1.213 344 I CA 2.161 63.477 61.300 0.027 0.000 1.436 344 I CB 0.504 38.508 38.000 0.006 0.000 1.348 344 I HN 1.333 nan 8.210 nan 0.000 0.570 345 G N 4.794 113.604 108.800 0.017 0.000 2.199 345 G HA2 -0.214 3.765 3.960 0.031 0.000 0.254 345 G HA3 -0.214 3.765 3.960 0.031 0.000 0.254 345 G C -0.060 174.862 174.900 0.036 0.000 0.982 345 G CA 0.119 45.228 45.100 0.014 0.000 0.632 345 G HN 0.637 nan 8.290 nan 0.000 0.529 346 V N 1.287 121.240 119.914 0.064 0.000 2.459 346 V HA 0.579 4.717 4.120 0.031 0.000 0.295 346 V C 1.319 177.485 176.094 0.120 0.000 1.029 346 V CA 0.383 62.736 62.300 0.089 0.000 0.874 346 V CB 1.582 33.461 31.823 0.093 0.000 0.985 346 V HN 0.229 nan 8.190 nan 0.000 0.438 347 S N 2.427 118.181 115.700 0.090 0.000 2.335 347 S HA -0.016 4.472 4.470 0.031 0.000 0.217 347 S C 0.812 175.455 174.600 0.072 0.000 1.032 347 S CA 0.787 59.010 58.200 0.037 0.000 0.985 347 S CB -0.157 62.995 63.200 -0.080 0.000 0.896 347 S HN 0.785 nan 8.310 nan 0.000 0.445 348 H N 2.369 121.515 119.070 0.127 0.000 2.732 348 H HA 0.218 4.793 4.556 0.031 0.000 0.351 348 H C -2.338 172.993 175.328 0.005 0.000 1.090 348 H CA -1.545 54.556 56.048 0.088 0.000 1.431 348 H CB 0.038 29.823 29.762 0.038 0.000 1.447 348 H HN 0.243 nan 8.280 nan 0.000 0.582 349 P HA -0.011 nan 4.420 nan 0.000 0.269 349 P C 0.881 178.048 177.300 -0.221 0.000 1.215 349 P CA -0.070 62.744 63.100 -0.477 0.000 0.780 349 P CB 1.110 32.452 31.700 -0.597 0.000 0.898 350 L N 0.509 121.580 121.223 -0.253 0.000 2.179 350 L HA -0.004 4.354 4.340 0.031 0.000 0.208 350 L C 1.310 178.105 176.870 -0.125 0.000 1.096 350 L CA 1.161 55.923 54.840 -0.130 0.000 0.779 350 L CB -0.502 41.499 42.059 -0.096 0.000 0.922 350 L HN 0.534 nan 8.230 nan 0.000 0.443 351 S N -0.822 114.775 115.700 -0.171 0.000 2.550 351 S HA 0.711 5.200 4.470 0.031 0.000 0.270 351 S C -0.963 173.539 174.600 -0.164 0.000 1.145 351 S CA -0.821 57.298 58.200 -0.136 0.000 0.852 351 S CB 2.292 65.430 63.200 -0.103 0.000 1.119 351 S HN 0.040 nan 8.310 nan 0.000 0.465 352 I N 1.416 121.904 120.570 -0.136 0.000 2.656 352 I HA 0.601 4.790 4.170 0.031 0.000 0.292 352 I C -0.851 175.168 176.117 -0.163 0.000 1.144 352 I CA -0.517 60.698 61.300 -0.143 0.000 1.038 352 I CB 2.546 40.475 38.000 -0.118 0.000 1.244 352 I HN 0.726 nan 8.210 nan 0.000 0.420 353 S N 6.028 121.605 115.700 -0.205 0.000 2.540 353 S HA 0.680 5.169 4.470 0.031 0.000 0.275 353 S C -0.968 173.320 174.600 -0.521 0.000 1.123 353 S CA -0.610 57.367 58.200 -0.371 0.000 0.907 353 S CB 2.347 65.361 63.200 -0.310 0.000 1.081 353 S HN 0.291 nan 8.310 nan 0.000 0.476 354 I N 2.526 122.644 120.570 -0.752 0.000 2.466 354 I HA 0.501 4.690 4.170 0.031 0.000 0.289 354 I C -1.532 174.038 176.117 -0.912 0.000 1.026 354 I CA -0.644 60.291 61.300 -0.609 0.000 1.078 354 I CB 1.105 38.904 38.000 -0.336 0.000 1.249 354 I HN 0.542 nan 8.210 nan 0.000 0.429 355 F N 4.821 124.687 119.950 -0.140 0.000 2.499 355 F HA 0.327 4.869 4.527 0.024 0.000 0.333 355 F C 0.854 176.518 175.800 -0.227 0.000 1.138 355 F CA -0.711 57.129 58.000 -0.266 0.000 0.945 355 F CB 0.925 39.743 39.000 -0.303 0.000 1.181 355 F HN 0.539 nan 8.300 nan 0.000 0.435 356 H N 0.761 119.804 119.070 -0.045 0.000 2.594 356 H HA 0.231 4.800 4.556 0.021 0.000 0.279 356 H C 0.026 175.457 175.328 0.171 0.000 1.042 356 H CA -1.796 54.282 56.048 0.050 0.000 1.177 356 H CB -0.961 28.812 29.762 0.018 0.000 1.524 356 H HN 0.598 nan 8.280 nan 0.000 0.537 357 Y N 0.787 121.302 120.300 0.358 0.000 4.604 357 Y HA -0.212 4.351 4.550 0.022 0.000 0.230 357 Y C 1.833 177.843 175.900 0.183 0.000 1.066 357 Y CA 1.469 59.697 58.100 0.214 0.000 1.990 357 Y CB -1.654 36.886 38.460 0.134 0.000 1.619 357 Y HN 0.701 nan 8.280 nan 0.000 0.649 358 G N -0.758 108.278 108.800 0.392 0.000 2.143 358 G HA2 -0.313 3.665 3.960 0.031 0.000 0.248 358 G HA3 -0.313 3.665 3.960 0.031 0.000 0.248 358 G C 0.607 175.437 174.900 -0.116 0.000 0.991 358 G CA 0.926 46.095 45.100 0.115 0.000 0.689 358 G HN 1.213 nan 8.290 nan 0.000 0.522 359 T N -2.858 111.567 114.554 -0.214 0.000 3.206 359 T HA 0.623 4.992 4.350 0.031 0.000 0.253 359 T C 0.544 175.081 174.700 -0.271 0.000 1.042 359 T CA 0.804 62.804 62.100 -0.166 0.000 0.931 359 T CB 0.800 69.644 68.868 -0.039 0.000 1.029 359 T HN 0.983 nan 8.240 nan 0.000 0.564 360 S N -0.363 115.029 115.700 -0.513 0.000 2.570 360 S HA 0.372 4.861 4.470 0.031 0.000 0.286 360 S C 0.718 175.178 174.600 -0.233 0.000 1.099 360 S CA -0.699 57.296 58.200 -0.341 0.000 0.913 360 S CB 1.961 64.965 63.200 -0.327 0.000 1.085 360 S HN 0.337 nan 8.310 nan 0.000 0.480 361 Q N 1.113 120.848 119.800 -0.108 0.000 2.230 361 Q HA 0.056 4.415 4.340 0.031 0.000 0.202 361 Q C -0.063 175.928 176.000 -0.014 0.000 0.963 361 Q CA 0.870 56.644 55.803 -0.048 0.000 0.866 361 Q CB 0.012 28.735 28.738 -0.024 0.000 0.931 361 Q HN 0.478 nan 8.270 nan 0.000 0.452 362 K N 1.602 121.994 120.400 -0.014 0.000 2.237 362 K HA 0.126 4.465 4.320 0.031 0.000 0.270 362 K C 0.220 176.893 176.600 0.123 0.000 1.015 362 K CA -0.256 56.045 56.287 0.024 0.000 0.949 362 K CB 1.006 33.496 32.500 -0.016 0.000 0.976 362 K HN 0.045 nan 8.250 nan 0.000 0.472 363 S N 0.964 116.716 115.700 0.087 0.000 2.584 363 S HA 0.011 4.500 4.470 0.031 0.000 0.270 363 S C 0.914 175.518 174.600 0.006 0.000 1.346 363 S CA -0.406 57.846 58.200 0.085 0.000 1.018 363 S CB 0.921 64.129 63.200 0.013 0.000 0.899 363 S HN 0.628 nan 8.310 nan 0.000 0.542 364 E N 0.615 120.707 120.200 -0.179 0.000 2.118 364 E HA -0.187 4.182 4.350 0.031 0.000 0.195 364 E C 2.229 178.717 176.600 -0.186 0.000 0.992 364 E CA 1.081 57.300 56.400 -0.302 0.000 0.804 364 E CB -0.142 29.285 29.700 -0.455 0.000 0.741 364 E HN 0.697 nan 8.360 nan 0.000 0.458 365 R N 1.245 121.666 120.500 -0.131 0.000 2.091 365 R HA -0.209 4.149 4.340 0.031 0.000 0.238 365 R C 1.857 178.111 176.300 -0.076 0.000 1.136 365 R CA 1.733 57.774 56.100 -0.099 0.000 0.959 365 R CB -0.007 30.252 30.300 -0.069 0.000 0.856 365 R HN 0.193 nan 8.270 nan 0.000 0.437 366 E N 0.378 120.544 120.200 -0.057 0.000 2.077 366 E HA -0.185 4.184 4.350 0.031 0.000 0.193 366 E C 2.120 178.679 176.600 -0.068 0.000 0.989 366 E CA 1.395 57.767 56.400 -0.047 0.000 0.800 366 E CB -0.084 29.598 29.700 -0.031 0.000 0.746 366 E HN 0.366 nan 8.360 nan 0.000 0.452 367 L N 0.518 121.695 121.223 -0.076 0.000 2.046 367 L HA -0.192 4.167 4.340 0.031 0.000 0.208 367 L C 2.577 179.391 176.870 -0.093 0.000 1.077 367 L CA 0.484 55.269 54.840 -0.092 0.000 0.747 367 L CB -0.399 41.619 42.059 -0.068 0.000 0.896 367 L HN 0.212 nan 8.230 nan 0.000 0.432 368 L N 0.191 121.348 121.223 -0.110 0.000 2.046 368 L HA -0.204 4.154 4.340 0.031 0.000 0.208 368 L C 2.572 179.405 176.870 -0.061 0.000 1.077 368 L CA 1.790 56.566 54.840 -0.106 0.000 0.747 368 L CB -0.568 41.410 42.059 -0.135 0.000 0.896 368 L HN 0.066 nan 8.230 nan 0.000 0.432 369 E N -0.258 119.910 120.200 -0.052 0.000 2.077 369 E HA -0.211 4.158 4.350 0.031 0.000 0.193 369 E C 2.222 178.817 176.600 -0.007 0.000 0.989 369 E CA 1.594 57.978 56.400 -0.027 0.000 0.800 369 E CB -0.604 29.082 29.700 -0.024 0.000 0.746 369 E HN 0.721 nan 8.360 nan 0.000 0.452 370 I N 0.197 120.756 120.570 -0.019 0.000 2.226 370 I HA -0.238 3.951 4.170 0.031 0.000 0.245 370 I C 2.474 178.620 176.117 0.049 0.000 1.100 370 I CA 1.042 62.341 61.300 -0.001 0.000 1.374 370 I CB -0.380 37.567 38.000 -0.088 0.000 1.057 370 I HN 0.145 nan 8.210 nan 0.000 0.413 371 V N 0.954 120.901 119.914 0.055 0.000 2.287 371 V HA -0.310 3.829 4.120 0.031 0.000 0.248 371 V C 2.398 178.602 176.094 0.182 0.000 1.053 371 V CA 1.924 64.322 62.300 0.163 0.000 1.027 371 V CB -0.678 31.157 31.823 0.020 0.000 0.646 371 V HN 0.396 nan 8.190 nan 0.000 0.447 372 K N -0.233 120.213 120.400 0.076 0.000 2.148 372 K HA -0.132 4.207 4.320 0.031 0.000 0.204 372 K C 2.358 178.995 176.600 0.061 0.000 1.050 372 K CA 1.197 57.523 56.287 0.065 0.000 0.942 372 K CB -0.178 32.332 32.500 0.017 0.000 0.724 372 K HN 0.275 nan 8.250 nan 0.000 0.446 373 K N 0.486 120.910 120.400 0.041 0.000 2.296 373 K HA 0.060 4.399 4.320 0.031 0.000 0.200 373 K C 1.399 177.987 176.600 -0.020 0.000 1.048 373 K CA 0.778 57.075 56.287 0.016 0.000 0.966 373 K CB -0.205 32.306 32.500 0.017 0.000 0.754 373 K HN 0.326 nan 8.250 nan 0.000 0.466 374 N N -1.188 117.483 118.700 -0.050 0.000 2.294 374 N HA 0.189 4.948 4.740 0.031 0.000 0.186 374 N C -0.573 174.622 175.510 -0.524 0.000 1.107 374 N CA 0.297 53.175 53.050 -0.286 0.000 0.884 374 N CB 0.555 38.804 38.487 -0.398 0.000 1.030 374 N HN 0.191 nan 8.380 nan 0.000 0.482 375 F N 0.426 120.353 119.950 -0.038 0.000 2.563 375 F HA 0.321 4.867 4.527 0.031 0.000 0.316 375 F C -0.188 175.648 175.800 0.060 0.000 1.076 375 F CA -1.142 56.851 58.000 -0.012 0.000 0.921 375 F CB 1.896 40.864 39.000 -0.054 0.000 1.209 375 F HN -0.283 nan 8.300 nan 0.000 0.462 376 D N 3.121 123.699 120.400 0.298 0.000 2.462 376 D HA 0.314 4.973 4.640 0.031 0.000 0.245 376 D C -0.324 176.137 176.300 0.268 0.000 1.122 376 D CA -0.158 53.989 54.000 0.244 0.000 0.864 376 D CB 1.138 42.049 40.800 0.186 0.000 1.098 376 D HN 0.548 nan 8.370 nan 0.000 0.541 377 L N 3.235 124.610 121.223 0.254 0.000 2.728 377 L HA 0.299 4.658 4.340 0.031 0.000 0.235 377 L C 1.152 178.187 176.870 0.276 0.000 1.197 377 L CA -0.276 54.726 54.840 0.270 0.000 0.992 377 L CB -0.068 42.136 42.059 0.242 0.000 1.263 377 L HN 0.046 nan 8.230 nan 0.000 0.484 378 R N 1.556 122.154 120.500 0.163 0.000 2.537 378 R HA 0.045 4.403 4.340 0.031 0.000 0.280 378 R C -1.151 175.213 176.300 0.107 0.000 1.058 378 R CA -1.236 54.915 56.100 0.085 0.000 1.057 378 R CB 0.494 30.742 30.300 -0.087 0.000 0.973 378 R HN -0.085 nan 8.270 nan 0.000 0.438 379 P HA -0.140 nan 4.420 nan 0.000 0.218 379 P C 1.000 178.402 177.300 0.170 0.000 1.149 379 P CA 1.341 64.491 63.100 0.084 0.000 0.817 379 P CB 0.124 31.819 31.700 -0.009 0.000 0.785 380 G N -0.535 108.347 108.800 0.136 0.000 2.744 380 G HA2 -0.004 3.975 3.960 0.031 0.000 0.211 380 G HA3 -0.004 3.975 3.960 0.031 0.000 0.211 380 G C 1.396 176.325 174.900 0.047 0.000 1.143 380 G CA 0.202 45.374 45.100 0.119 0.000 0.788 380 G HN 0.206 nan 8.290 nan 0.000 0.534 381 V N 0.436 120.387 119.914 0.063 0.000 2.788 381 V HA 0.101 4.240 4.120 0.031 0.000 0.241 381 V C 2.596 178.743 176.094 0.089 0.000 1.083 381 V CA 0.347 62.691 62.300 0.074 0.000 1.103 381 V CB -0.215 31.669 31.823 0.102 0.000 0.800 381 V HN 0.309 nan 8.190 nan 0.000 0.476 382 I N 0.445 121.088 120.570 0.121 0.000 2.185 382 I HA -0.284 3.905 4.170 0.031 0.000 0.246 382 I C 2.580 178.711 176.117 0.023 0.000 1.088 382 I CA 1.788 63.164 61.300 0.127 0.000 1.347 382 I CB -0.484 37.605 38.000 0.148 0.000 1.041 382 I HN 0.251 nan 8.210 nan 0.000 0.415 383 V N 1.085 120.958 119.914 -0.069 0.000 2.392 383 V HA -0.328 3.810 4.120 0.031 0.000 0.249 383 V C 2.703 178.690 176.094 -0.178 0.000 1.059 383 V CA 2.318 64.460 62.300 -0.263 0.000 1.051 383 V CB -0.509 30.800 31.823 -0.857 0.000 0.658 383 V HN 0.422 nan 8.190 nan 0.000 0.455 384 R N -0.658 119.776 120.500 -0.109 0.000 2.062 384 R HA -0.123 4.235 4.340 0.031 0.000 0.229 384 R C 2.088 178.369 176.300 -0.033 0.000 1.128 384 R CA 1.917 57.980 56.100 -0.062 0.000 0.960 384 R CB -0.393 29.892 30.300 -0.025 0.000 0.855 384 R HN 0.546 nan 8.270 nan 0.000 0.432 385 D N 0.474 120.873 120.400 -0.002 0.000 2.144 385 D HA -0.121 4.538 4.640 0.031 0.000 0.199 385 D C 1.512 177.711 176.300 -0.169 0.000 0.984 385 D CA 1.158 55.143 54.000 -0.025 0.000 0.834 385 D CB 0.138 40.995 40.800 0.094 0.000 0.955 385 D HN 0.311 nan 8.370 nan 0.000 0.465 386 L N -0.078 121.065 121.223 -0.134 0.000 2.728 386 L HA 0.106 4.464 4.340 0.031 0.000 0.238 386 L C -0.034 176.843 176.870 0.011 0.000 1.143 386 L CA -0.193 54.594 54.840 -0.089 0.000 0.937 386 L CB 0.351 42.425 42.059 0.026 0.000 1.225 386 L HN -0.162 nan 8.230 nan 0.000 0.507 387 D N 1.029 121.409 120.400 -0.033 0.000 2.699 387 D HA -0.194 4.464 4.640 0.031 0.000 0.239 387 D C 0.720 177.015 176.300 -0.007 0.000 1.136 387 D CA 0.582 54.562 54.000 -0.033 0.000 0.668 387 D CB -0.918 39.860 40.800 -0.036 0.000 1.060 387 D HN 0.255 nan 8.370 nan 0.000 0.429 388 L N -0.331 120.888 121.223 -0.008 0.000 2.599 388 L HA 0.033 4.391 4.340 0.031 0.000 0.230 388 L C 2.087 179.053 176.870 0.159 0.000 1.141 388 L CA 0.316 55.221 54.840 0.107 0.000 0.877 388 L CB -0.057 42.095 42.059 0.155 0.000 1.009 388 L HN 0.036 nan 8.230 nan 0.000 0.447 389 K N -0.440 119.983 120.400 0.039 0.000 2.426 389 K HA 0.067 4.406 4.320 0.031 0.000 0.193 389 K C 0.250 176.906 176.600 0.093 0.000 1.028 389 K CA 0.003 56.349 56.287 0.099 0.000 1.047 389 K CB 0.282 32.798 32.500 0.027 0.000 0.821 389 K HN 0.037 nan 8.250 nan 0.000 0.513 390 K N 2.351 122.765 120.400 0.024 0.000 2.350 390 K HA 0.077 4.416 4.320 0.031 0.000 0.279 390 K C -2.261 174.311 176.600 -0.046 0.000 1.027 390 K CA -2.036 54.240 56.287 -0.019 0.000 0.969 390 K CB 0.524 32.990 32.500 -0.058 0.000 0.954 390 K HN -0.055 nan 8.250 nan 0.000 0.474 391 P HA 0.097 nan 4.420 nan 0.000 0.225 391 P C 0.049 177.339 177.300 -0.017 0.000 1.813 391 P CA -0.177 62.954 63.100 0.052 0.000 1.013 391 P CB -0.413 31.328 31.700 0.069 0.000 1.961 392 I N -4.575 115.894 120.570 -0.169 0.000 3.974 392 I HA 0.225 4.413 4.170 0.031 0.000 0.334 392 I C 1.153 177.185 176.117 -0.143 0.000 1.437 392 I CA -0.710 60.506 61.300 -0.141 0.000 1.113 392 I CB -1.032 36.892 38.000 -0.127 0.000 1.063 392 I HN -0.182 nan 8.210 nan 0.000 0.400 393 Y N 0.934 121.257 120.300 0.039 0.000 2.314 393 Y HA -0.065 4.504 4.550 0.031 0.000 0.293 393 Y C 2.690 178.599 175.900 0.015 0.000 1.129 393 Y CA 1.754 59.873 58.100 0.032 0.000 1.201 393 Y CB -0.493 38.000 38.460 0.055 0.000 0.999 393 Y HN 0.343 nan 8.280 nan 0.000 0.541 394 Q N 0.616 120.511 119.800 0.157 0.000 2.181 394 Q HA -0.213 4.146 4.340 0.031 0.000 0.205 394 Q C 1.966 178.000 176.000 0.055 0.000 0.980 394 Q CA 1.372 57.227 55.803 0.087 0.000 0.862 394 Q CB -0.025 28.740 28.738 0.045 0.000 0.905 394 Q HN 0.443 nan 8.270 nan 0.000 0.429 395 R N -0.489 120.048 120.500 0.061 0.000 2.193 395 R HA -0.088 4.271 4.340 0.031 0.000 0.229 395 R C 2.292 178.652 176.300 0.100 0.000 1.110 395 R CA 1.593 57.758 56.100 0.107 0.000 0.988 395 R CB -0.199 30.215 30.300 0.191 0.000 0.871 395 R HN 0.388 nan 8.270 nan 0.000 0.458 396 T N -2.758 111.770 114.554 -0.042 0.000 3.088 396 T HA 0.151 4.520 4.350 0.031 0.000 0.259 396 T C 1.669 176.077 174.700 -0.488 0.000 1.122 396 T CA 0.624 62.551 62.100 -0.287 0.000 1.095 396 T CB 0.345 68.984 68.868 -0.381 0.000 0.930 396 T HN 0.159 nan 8.240 nan 0.000 0.508 397 A N 0.604 123.320 122.820 -0.173 0.000 2.251 397 A HA 0.784 5.123 4.320 0.031 0.000 0.209 397 A C 1.071 178.618 177.584 -0.061 0.000 1.187 397 A CA 0.103 52.104 52.037 -0.060 0.000 0.823 397 A CB -0.392 18.640 19.000 0.053 0.000 0.846 397 A HN 0.836 nan 8.150 nan 0.000 0.486 398 A N -2.545 120.200 122.820 -0.125 0.000 2.539 398 A HA 0.602 4.941 4.320 0.031 0.000 0.296 398 A C -0.081 177.357 177.584 -0.244 0.000 1.073 398 A CA -0.529 51.335 52.037 -0.288 0.000 0.700 398 A CB 0.368 19.064 19.000 -0.506 0.000 1.296 398 A HN 0.953 nan 8.150 nan 0.000 0.405 399 Y N -0.597 119.632 120.300 -0.119 0.000 4.569 399 Y HA -0.052 4.516 4.550 0.031 0.000 0.237 399 Y C 1.073 176.507 175.900 -0.776 0.000 1.090 399 Y CA 1.487 59.343 58.100 -0.408 0.000 2.052 399 Y CB -1.694 36.642 38.460 -0.208 0.000 1.621 399 Y HN 2.650 nan 8.280 nan 0.000 0.682 400 G N -0.928 107.705 108.800 -0.279 0.000 2.719 400 G HA2 -0.202 3.777 3.960 0.031 0.000 0.686 400 G HA3 -0.202 3.777 3.960 0.031 0.000 0.686 400 G C 0.168 175.065 174.900 -0.004 0.000 1.201 400 G CA -0.258 44.813 45.100 -0.048 0.000 0.768 400 G HN 0.570 nan 8.290 nan 0.000 0.629 401 H N -0.008 118.956 119.070 -0.176 0.000 2.551 401 H HA 0.190 4.765 4.556 0.031 0.000 0.266 401 H C 0.492 175.777 175.328 -0.072 0.000 0.964 401 H CA 1.031 56.903 56.048 -0.294 0.000 1.180 401 H CB 0.319 29.676 29.762 -0.675 0.000 1.408 401 H HN 0.322 nan 8.280 nan 0.000 0.563 402 F N -0.546 119.648 119.950 0.407 0.000 2.579 402 F HA 0.462 5.008 4.527 0.032 0.000 0.324 402 F C 1.349 177.333 175.800 0.306 0.000 1.058 402 F CA -0.837 57.402 58.000 0.400 0.000 0.944 402 F CB 1.486 40.694 39.000 0.346 0.000 1.245 402 F HN 0.082 nan 8.300 nan 0.000 0.477 403 G N 1.403 110.484 108.800 0.469 0.000 2.148 403 G HA2 -0.245 3.734 3.960 0.031 0.000 0.254 403 G HA3 -0.245 3.734 3.960 0.031 0.000 0.254 403 G C 0.008 174.999 174.900 0.152 0.000 0.981 403 G CA -0.296 44.973 45.100 0.283 0.000 0.670 403 G HN 0.627 nan 8.290 nan 0.000 0.528 404 R N -0.832 119.727 120.500 0.097 0.000 2.673 404 R HA 0.536 4.895 4.340 0.031 0.000 0.281 404 R C 0.077 176.165 176.300 -0.354 0.000 0.991 404 R CA -0.463 55.595 56.100 -0.070 0.000 0.896 404 R CB 1.378 31.666 30.300 -0.020 0.000 1.201 404 R HN -0.010 nan 8.270 nan 0.000 0.457 405 D N 0.161 120.320 120.400 -0.402 0.000 2.946 405 D HA -0.160 4.499 4.640 0.031 0.000 0.202 405 D C -0.606 175.297 176.300 -0.662 0.000 1.068 405 D CA 1.702 55.320 54.000 -0.636 0.000 1.011 405 D CB -0.987 39.148 40.800 -1.109 0.000 1.105 405 D HN 0.662 nan 8.370 nan 0.000 0.425 406 S N -1.404 114.013 115.700 -0.472 0.000 3.614 406 S HA -0.277 4.212 4.470 0.031 0.000 0.360 406 S C 0.457 174.799 174.600 -0.430 0.000 1.023 406 S CA 0.689 58.681 58.200 -0.347 0.000 1.114 406 S CB -1.562 61.504 63.200 -0.225 0.000 0.907 406 S HN 0.408 nan 8.310 nan 0.000 0.470 407 F N 0.637 120.265 119.950 -0.537 0.000 2.586 407 F HA 0.174 4.719 4.527 0.030 0.000 0.335 407 F C -0.458 174.812 175.800 -0.883 0.000 1.210 407 F CA -1.504 55.940 58.000 -0.926 0.000 1.359 407 F CB -0.576 37.354 39.000 -1.783 0.000 1.142 407 F HN -0.019 nan 8.300 nan 0.000 0.606 408 P HA -0.173 nan 4.420 nan 0.000 0.218 408 P C 1.056 178.136 177.300 -0.367 0.000 1.148 408 P CA 1.888 64.774 63.100 -0.356 0.000 0.822 408 P CB -0.187 31.379 31.700 -0.223 0.000 0.784 409 W N -0.520 120.664 121.300 -0.194 0.000 2.825 409 W HA 0.115 4.793 4.660 0.030 0.000 0.243 409 W C 1.065 177.665 176.519 0.135 0.000 1.293 409 W CA 0.371 57.624 57.345 -0.153 0.000 1.403 409 W CB -1.055 28.388 29.460 -0.029 0.000 1.134 409 W HN -0.118 nan 8.180 nan 0.000 0.666 410 E N 0.775 120.941 120.200 -0.055 0.000 2.474 410 E HA 0.085 4.454 4.350 0.031 0.000 0.195 410 E C -0.034 176.627 176.600 0.101 0.000 1.039 410 E CA 0.146 56.583 56.400 0.062 0.000 0.881 410 E CB 0.491 30.150 29.700 -0.068 0.000 0.970 410 E HN 0.129 nan 8.360 nan 0.000 0.486 411 V N 4.190 124.174 119.914 0.117 0.000 2.334 411 V HA 0.197 4.336 4.120 0.031 0.000 0.267 411 V C -2.270 174.046 176.094 0.370 0.000 1.040 411 V CA -1.820 60.574 62.300 0.157 0.000 0.866 411 V CB 0.909 32.775 31.823 0.071 0.000 1.019 411 V HN -0.072 nan 8.190 nan 0.000 0.468 412 P HA 0.100 nan 4.420 nan 0.000 0.269 412 P C -0.350 177.107 177.300 0.261 0.000 1.209 412 P CA -0.187 63.072 63.100 0.265 0.000 0.776 412 P CB 0.582 32.365 31.700 0.138 0.000 0.876 413 K N 1.888 122.369 120.400 0.134 0.000 2.276 413 K HA 0.160 4.499 4.320 0.031 0.000 0.283 413 K C -0.020 176.563 176.600 -0.028 0.000 1.044 413 K CA -0.551 55.743 56.287 0.012 0.000 0.944 413 K CB 0.486 32.771 32.500 -0.358 0.000 1.012 413 K HN 0.013 nan 8.250 nan 0.000 0.472 414 K N 5.822 126.215 120.400 -0.012 0.000 2.383 414 K HA 0.158 4.496 4.320 0.031 0.000 0.286 414 K C -0.457 176.114 176.600 -0.049 0.000 1.051 414 K CA -0.213 56.067 56.287 -0.012 0.000 0.974 414 K CB -0.414 32.081 32.500 -0.007 0.000 0.968 414 K HN 0.528 nan 8.250 nan 0.000 0.475 415 L N 3.772 125.003 121.223 0.014 0.000 2.307 415 L HA 0.441 4.800 4.340 0.031 0.000 0.282 415 L C 0.214 177.129 176.870 0.075 0.000 1.051 415 L CA -0.898 53.974 54.840 0.054 0.000 0.804 415 L CB 1.877 44.046 42.059 0.184 0.000 1.197 415 L HN 0.442 nan 8.230 nan 0.000 0.431 416 K N 2.619 123.042 120.400 0.038 0.000 2.213 416 K HA 0.689 5.028 4.320 0.031 0.000 0.270 416 K C -0.984 175.678 176.600 0.103 0.000 1.002 416 K CA -0.624 55.645 56.287 -0.030 0.000 0.868 416 K CB 1.539 34.010 32.500 -0.048 0.000 1.093 416 K HN 0.600 nan 8.250 nan 0.000 0.454 417 Y N 0.000 120.281 120.300 -0.032 0.000 2.660 417 Y HA 0.000 4.570 4.550 0.034 0.000 0.201 417 Y CA 0.000 58.086 58.100 -0.023 0.000 1.940 417 Y CB 0.000 38.449 38.460 -0.018 0.000 1.050 417 Y HN 0.000 nan 8.280 nan 0.000 0.758