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 2igm_1_H DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLNLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT 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 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.246 176.300 -0.090 0.000 1.140 43 M CA 0.000 55.271 55.300 -0.048 0.000 0.988 43 M CB 0.000 32.399 32.600 -0.335 0.000 1.302 44 D N 3.756 124.147 120.400 -0.015 0.000 2.361 44 D HA 0.292 4.932 4.640 0.000 0.000 0.239 44 D C 1.096 177.303 176.300 -0.156 0.000 1.200 44 D CA 0.133 54.036 54.000 -0.161 0.000 0.915 44 D CB 0.841 41.399 40.800 -0.403 0.000 1.170 44 D HN 0.712 nan 8.370 nan 0.000 0.444 45 I N -2.383 118.083 120.570 -0.174 0.000 4.082 45 I HA 0.265 4.435 4.170 0.000 0.000 0.337 45 I C 0.214 176.275 176.117 -0.093 0.000 1.352 45 I CA -0.175 61.077 61.300 -0.079 0.000 1.097 45 I CB -0.156 37.824 38.000 -0.033 0.000 1.048 45 I HN -0.029 nan 8.210 nan 0.000 0.393 46 K N 0.904 121.113 120.400 -0.318 0.000 2.502 46 K HA 0.579 4.899 4.320 0.000 0.000 0.254 46 K C -1.832 174.438 176.600 -0.550 0.000 0.947 46 K CA -0.486 55.642 56.287 -0.266 0.000 0.834 46 K CB 0.850 33.265 32.500 -0.142 0.000 1.112 46 K HN 0.132 nan 8.250 nan 0.000 0.427 47 Y N 1.188 121.473 120.300 -0.024 0.000 2.602 47 Y HA 0.270 4.820 4.550 0.000 0.000 0.342 47 Y C 0.804 176.680 175.900 -0.041 0.000 1.029 47 Y CA -0.763 57.317 58.100 -0.033 0.000 1.080 47 Y CB 1.740 40.176 38.460 -0.039 0.000 1.284 47 Y HN 0.593 nan 8.280 nan 0.000 0.485 48 D N 0.125 120.607 120.400 0.136 0.000 2.103 48 D HA 0.007 4.647 4.640 0.000 0.000 0.199 48 D C -0.291 176.009 176.300 -0.001 0.000 0.978 48 D CA 1.463 55.529 54.000 0.111 0.000 0.829 48 D CB 0.210 41.149 40.800 0.231 0.000 0.981 48 D HN 0.112 nan 8.370 nan 0.000 0.464 49 V N 1.115 121.023 119.914 -0.010 0.000 2.638 49 V HA 0.377 4.497 4.120 0.000 0.000 0.306 49 V C -0.302 175.702 176.094 -0.150 0.000 1.052 49 V CA -1.041 61.163 62.300 -0.161 0.000 0.885 49 V CB 2.453 34.154 31.823 -0.205 0.000 0.999 49 V HN -0.014 nan 8.190 nan 0.000 0.424 50 V N 2.946 122.725 119.914 -0.225 0.000 2.495 50 V HA 0.749 4.869 4.120 0.000 0.000 0.298 50 V C -0.655 175.382 176.094 -0.095 0.000 1.031 50 V CA -0.608 61.619 62.300 -0.121 0.000 0.871 50 V CB 1.713 33.526 31.823 -0.017 0.000 0.988 50 V HN 0.690 nan 8.190 nan 0.000 0.432 51 I N 4.409 124.950 120.570 -0.048 0.000 2.418 51 I HA 0.464 4.634 4.170 0.000 0.000 0.287 51 I C -0.563 175.574 176.117 0.033 0.000 1.008 51 I CA -0.903 60.352 61.300 -0.076 0.000 1.104 51 I CB 2.230 40.169 38.000 -0.102 0.000 1.264 51 I HN 0.453 nan 8.210 nan 0.000 0.438 52 V N 5.681 125.600 119.914 0.008 0.000 2.348 52 V HA 0.787 4.907 4.120 0.000 0.000 0.270 52 V C 0.511 176.610 176.094 0.009 0.000 1.037 52 V CA -0.287 62.041 62.300 0.046 0.000 0.872 52 V CB 0.423 32.251 31.823 0.008 0.000 1.002 52 V HN 1.061 nan 8.190 nan 0.000 0.464 53 G N 3.902 112.722 108.800 0.034 0.000 2.885 53 G HA2 0.004 3.964 3.960 0.000 0.000 0.685 53 G HA3 0.004 3.964 3.960 0.000 0.000 0.685 53 G C -0.080 174.833 174.900 0.022 0.000 1.216 53 G CA -0.273 44.840 45.100 0.021 0.000 0.790 53 G HN 1.241 nan 8.290 nan 0.000 0.631 54 S N 0.875 116.591 115.700 0.026 0.000 2.588 54 S HA 0.604 5.074 4.470 0.000 0.000 0.245 54 S C 1.307 175.914 174.600 0.012 0.000 1.021 54 S CA 0.698 58.919 58.200 0.034 0.000 1.006 54 S CB 0.655 63.887 63.200 0.053 0.000 0.830 54 S HN 1.904 nan 8.310 nan 0.000 0.468 55 G N 2.747 111.543 108.800 -0.006 0.000 2.583 55 G HA2 0.374 4.334 3.960 0.000 0.000 0.275 55 G HA3 0.374 4.334 3.960 0.000 0.000 0.275 55 G C -1.181 173.691 174.900 -0.047 0.000 1.342 55 G CA -1.223 43.853 45.100 -0.039 0.000 1.030 55 G HN 0.252 nan 8.290 nan 0.000 0.520 56 P HA -0.044 nan 4.420 nan 0.000 0.223 56 P C 1.675 178.917 177.300 -0.098 0.000 1.151 56 P CA 0.658 63.706 63.100 -0.087 0.000 0.787 56 P CB 0.202 31.869 31.700 -0.055 0.000 0.788 57 I N 0.094 120.639 120.570 -0.042 0.000 2.333 57 I HA -0.018 4.153 4.170 0.000 0.000 0.246 57 I C 2.691 178.861 176.117 0.087 0.000 1.106 57 I CA 1.440 62.748 61.300 0.012 0.000 1.411 57 I CB -2.249 35.785 38.000 0.055 0.000 1.082 57 I HN -0.006 nan 8.210 nan 0.000 0.420 58 G N 0.504 109.335 108.800 0.052 0.000 2.469 58 G HA2 -0.262 3.698 3.960 0.000 0.000 0.219 58 G HA3 -0.262 3.698 3.960 0.000 0.000 0.219 58 G C 1.743 176.633 174.900 -0.015 0.000 1.150 58 G CA 1.145 46.264 45.100 0.032 0.000 0.763 58 G HN 0.419 nan 8.290 nan 0.000 0.561 59 C N 0.551 119.818 119.300 -0.056 0.000 2.432 59 C HA 0.057 4.518 4.460 0.000 0.000 0.282 59 C C 3.154 178.004 174.990 -0.234 0.000 1.388 59 C CA 1.290 60.230 59.018 -0.129 0.000 1.777 59 C CB -0.966 26.751 27.740 -0.039 0.000 1.882 59 C HN 0.450 nan 8.230 nan 0.000 0.520 60 T N -0.055 114.389 114.554 -0.183 0.000 2.737 60 T HA -0.129 4.221 4.350 0.000 0.000 0.265 60 T C 1.473 176.010 174.700 -0.271 0.000 1.038 60 T CA 1.498 63.455 62.100 -0.238 0.000 1.144 60 T CB -0.374 68.378 68.868 -0.194 0.000 0.866 60 T HN 0.550 nan 8.240 nan 0.000 0.434 61 Y N 1.562 121.713 120.300 -0.248 0.000 2.181 61 Y HA -0.053 4.497 4.550 0.000 0.000 0.288 61 Y C 2.757 178.434 175.900 -0.372 0.000 1.146 61 Y CA 0.961 58.897 58.100 -0.273 0.000 1.164 61 Y CB -0.676 37.644 38.460 -0.233 0.000 0.982 61 Y HN 0.191 nan 8.280 nan 0.000 0.515 62 A N 0.225 122.845 122.820 -0.333 0.000 1.858 62 A HA -0.251 4.069 4.320 0.000 0.000 0.216 62 A C 2.275 179.256 177.584 -1.005 0.000 1.190 62 A CA 1.917 53.507 52.037 -0.744 0.000 0.617 62 A CB -0.842 17.469 19.000 -1.147 0.000 0.827 62 A HN 0.429 nan 8.150 nan 0.000 0.443 63 R N -0.443 119.510 120.500 -0.912 0.000 2.112 63 R HA -0.201 4.139 4.340 0.000 0.000 0.242 63 R C 2.103 178.185 176.300 -0.364 0.000 1.137 63 R CA 1.986 57.735 56.100 -0.585 0.000 0.944 63 R CB -0.300 29.672 30.300 -0.547 0.000 0.857 63 R HN 0.585 nan 8.270 nan 0.000 0.435 64 E N 0.232 120.251 120.200 -0.301 0.000 2.072 64 E HA -0.172 4.178 4.350 0.000 0.000 0.191 64 E C 2.121 178.650 176.600 -0.118 0.000 0.985 64 E CA 1.232 57.533 56.400 -0.165 0.000 0.801 64 E CB -0.032 29.565 29.700 -0.172 0.000 0.750 64 E HN 0.447 nan 8.360 nan 0.000 0.452 65 L N 0.093 121.217 121.223 -0.165 0.000 2.253 65 L HA -0.029 4.311 4.340 0.000 0.000 0.205 65 L C 2.494 179.394 176.870 0.049 0.000 1.078 65 L CA 0.185 54.975 54.840 -0.083 0.000 0.805 65 L CB -0.175 41.726 42.059 -0.263 0.000 0.963 65 L HN -0.067 nan 8.230 nan 0.000 0.459 66 V N 0.613 120.467 119.914 -0.100 0.000 2.343 66 V HA -0.200 3.920 4.120 0.000 0.000 0.247 66 V C 2.618 178.723 176.094 0.019 0.000 1.051 66 V CA 2.103 64.382 62.300 -0.034 0.000 1.036 66 V CB -1.159 30.580 31.823 -0.141 0.000 0.654 66 V HN 0.562 nan 8.190 nan 0.000 0.451 67 G N -0.526 108.264 108.800 -0.017 0.000 2.432 67 G HA2 -0.133 3.827 3.960 0.000 0.000 0.219 67 G HA3 -0.133 3.827 3.960 0.000 0.000 0.219 67 G C 1.503 176.427 174.900 0.040 0.000 1.135 67 G CA 0.814 45.922 45.100 0.014 0.000 0.767 67 G HN 0.630 nan 8.290 nan 0.000 0.550 68 A N -0.465 122.404 122.820 0.082 0.000 2.238 68 A HA 0.479 4.799 4.320 0.000 0.000 0.208 68 A C 1.907 179.506 177.584 0.024 0.000 1.177 68 A CA 1.259 53.359 52.037 0.106 0.000 0.804 68 A CB -0.377 18.763 19.000 0.232 0.000 0.823 68 A HN 1.557 nan 8.150 nan 0.000 0.482 69 G N -2.420 106.395 108.800 0.025 0.000 2.159 69 G HA2 -0.249 3.711 3.960 0.000 0.000 0.227 69 G HA3 -0.249 3.711 3.960 0.000 0.000 0.227 69 G C -0.071 174.745 174.900 -0.139 0.000 0.986 69 G CA 0.021 45.084 45.100 -0.062 0.000 0.651 69 G HN 0.382 nan 8.290 nan 0.000 0.523 70 Y N 0.588 120.876 120.300 -0.020 0.000 2.336 70 Y HA 0.440 4.990 4.550 0.000 0.000 0.331 70 Y C 1.122 177.004 175.900 -0.029 0.000 1.211 70 Y CA 0.037 58.124 58.100 -0.022 0.000 1.346 70 Y CB 0.776 39.216 38.460 -0.033 0.000 1.271 70 Y HN 0.044 nan 8.280 nan 0.000 0.538 71 K N 3.054 123.526 120.400 0.119 0.000 2.292 71 K HA 0.387 4.707 4.320 0.000 0.000 0.290 71 K C -1.532 175.160 176.600 0.154 0.000 1.083 71 K CA -0.147 56.190 56.287 0.082 0.000 0.918 71 K CB 0.068 32.595 32.500 0.044 0.000 1.089 71 K HN 0.483 nan 8.250 nan 0.000 0.473 72 V N 3.149 123.132 119.914 0.115 0.000 2.513 72 V HA 0.573 4.693 4.120 0.000 0.000 0.299 72 V C -0.239 175.729 176.094 -0.210 0.000 1.035 72 V CA -0.955 61.364 62.300 0.033 0.000 0.889 72 V CB 1.445 33.338 31.823 0.117 0.000 0.988 72 V HN 0.871 nan 8.190 nan 0.000 0.440 73 A N 5.616 128.165 122.820 -0.450 0.000 2.350 73 A HA 0.947 5.267 4.320 0.000 0.000 0.324 73 A C -0.668 176.568 177.584 -0.580 0.000 1.118 73 A CA -0.637 50.918 52.037 -0.804 0.000 0.783 73 A CB 1.633 19.814 19.000 -1.365 0.000 1.236 73 A HN 0.901 nan 8.150 nan 0.000 0.457 74 M N 2.262 121.430 119.600 -0.721 0.000 2.327 74 M HA 0.695 5.175 4.480 0.000 0.000 0.298 74 M C -2.211 173.742 176.300 -0.578 0.000 1.065 74 M CA -0.406 54.654 55.300 -0.399 0.000 0.916 74 M CB 1.217 33.783 32.600 -0.056 0.000 1.630 74 M HN 0.604 nan 8.290 nan 0.000 0.442 75 F N 2.534 122.479 119.950 -0.009 0.000 2.482 75 F HA 0.533 5.060 4.527 0.000 0.000 0.331 75 F C -0.092 175.706 175.800 -0.003 0.000 1.115 75 F CA -0.506 57.507 58.000 0.021 0.000 0.955 75 F CB 1.389 40.375 39.000 -0.022 0.000 1.136 75 F HN 0.443 nan 8.300 nan 0.000 0.452 76 D N 3.020 123.502 120.400 0.137 0.000 2.780 76 D HA 0.241 4.881 4.640 0.000 0.000 0.242 76 D C 0.687 177.011 176.300 0.041 0.000 1.135 76 D CA -0.352 53.687 54.000 0.065 0.000 0.859 76 D CB 2.431 43.252 40.800 0.035 0.000 1.530 76 D HN 0.633 nan 8.370 nan 0.000 0.493 77 I N 2.030 122.580 120.570 -0.034 0.000 2.454 77 I HA -0.013 4.157 4.170 0.000 0.000 0.254 77 I C 1.195 177.271 176.117 -0.069 0.000 1.156 77 I CA 0.919 62.151 61.300 -0.113 0.000 1.433 77 I CB 0.150 37.963 38.000 -0.311 0.000 1.082 77 I HN 0.352 nan 8.210 nan 0.000 0.432 78 G N -0.243 108.538 108.800 -0.032 0.000 2.532 78 G HA2 0.401 4.361 3.960 0.000 0.000 0.291 78 G HA3 0.401 4.361 3.960 0.000 0.000 0.291 78 G C -0.889 174.029 174.900 0.031 0.000 1.349 78 G CA -0.431 44.676 45.100 0.012 0.000 1.038 78 G HN 0.293 nan 8.290 nan 0.000 0.518 79 E N -1.290 118.935 120.200 0.040 0.000 2.299 79 E HA 0.354 4.705 4.350 0.000 0.000 0.265 79 E C -0.455 176.169 176.600 0.039 0.000 0.911 79 E CA -0.743 55.681 56.400 0.040 0.000 0.789 79 E CB 2.609 32.336 29.700 0.045 0.000 1.246 79 E HN 0.263 nan 8.360 nan 0.000 0.427 80 I N 2.783 123.373 120.570 0.034 0.000 2.587 80 I HA -0.041 4.129 4.170 0.000 0.000 0.284 80 I C 0.017 176.161 176.117 0.046 0.000 1.134 80 I CA 0.844 62.165 61.300 0.035 0.000 1.410 80 I CB 0.071 38.085 38.000 0.024 0.000 1.392 80 I HN 0.561 nan 8.210 nan 0.000 0.545 81 D N 3.124 123.558 120.400 0.057 0.000 3.279 81 D HA 0.017 4.657 4.640 0.000 0.000 0.336 81 D C -0.189 176.166 176.300 0.093 0.000 1.512 81 D CA -0.313 53.729 54.000 0.070 0.000 0.754 81 D CB -0.139 40.701 40.800 0.066 0.000 1.278 81 D HN 0.272 nan 8.370 nan 0.000 0.553 82 S N -0.109 115.648 115.700 0.095 0.000 2.754 82 S HA 0.636 5.106 4.470 0.000 0.000 0.247 82 S C 0.916 175.587 174.600 0.118 0.000 1.031 82 S CA 0.002 58.277 58.200 0.126 0.000 1.014 82 S CB 0.978 64.255 63.200 0.129 0.000 0.918 82 S HN 0.895 nan 8.310 nan 0.000 0.519 83 G N 1.621 110.477 108.800 0.093 0.000 2.615 83 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 83 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 83 G C 0.258 175.192 174.900 0.056 0.000 1.339 83 G CA -0.359 44.788 45.100 0.077 0.000 0.884 83 G HN 0.287 nan 8.290 nan 0.000 0.559 84 L N 0.209 121.459 121.223 0.045 0.000 2.362 84 L HA 0.107 4.447 4.340 0.000 0.000 0.219 84 L C 1.482 178.364 176.870 0.020 0.000 1.134 84 L CA 1.044 55.899 54.840 0.026 0.000 0.807 84 L CB -0.350 41.719 42.059 0.017 0.000 0.927 84 L HN 0.298 nan 8.230 nan 0.000 0.447 85 K N 1.647 122.069 120.400 0.037 0.000 2.263 85 K HA 0.349 4.669 4.320 0.000 0.000 0.282 85 K C -0.297 176.324 176.600 0.036 0.000 1.089 85 K CA -0.260 56.044 56.287 0.029 0.000 0.907 85 K CB 0.996 33.527 32.500 0.052 0.000 1.148 85 K HN 0.069 nan 8.250 nan 0.000 0.470 86 I N 2.082 122.656 120.570 0.007 0.000 2.598 86 I HA -0.064 4.106 4.170 0.000 0.000 0.284 86 I C 1.338 177.471 176.117 0.027 0.000 1.140 86 I CA 0.739 62.047 61.300 0.013 0.000 1.420 86 I CB 0.373 38.368 38.000 -0.008 0.000 1.387 86 I HN 0.962 nan 8.210 nan 0.000 0.553 87 G N 4.398 113.227 108.800 0.047 0.000 2.179 87 G HA2 -0.218 3.742 3.960 0.000 0.000 0.257 87 G HA3 -0.218 3.742 3.960 0.000 0.000 0.257 87 G C 0.341 175.291 174.900 0.083 0.000 1.010 87 G CA 0.144 45.277 45.100 0.054 0.000 0.736 87 G HN 0.958 nan 8.290 nan 0.000 0.513 88 A N -0.525 122.362 122.820 0.112 0.000 2.259 88 A HA 0.632 4.952 4.320 0.000 0.000 0.278 88 A C 0.540 178.260 177.584 0.227 0.000 1.107 88 A CA -0.297 51.845 52.037 0.176 0.000 0.828 88 A CB 0.326 19.428 19.000 0.170 0.000 1.111 88 A HN 0.637 nan 8.150 nan 0.000 0.498 89 H N 0.293 119.499 119.070 0.226 0.000 2.767 89 H HA 0.164 4.720 4.556 0.000 0.000 0.316 89 H C 0.639 176.114 175.328 0.245 0.000 1.059 89 H CA 0.451 56.655 56.048 0.259 0.000 1.461 89 H CB 0.938 30.876 29.762 0.292 0.000 1.475 89 H HN 0.676 nan 8.280 nan 0.000 0.531 90 K N 3.364 124.006 120.400 0.404 0.000 2.362 90 K HA -0.110 4.210 4.320 0.000 0.000 0.200 90 K C 1.668 178.573 176.600 0.508 0.000 1.046 90 K CA 0.718 57.290 56.287 0.475 0.000 0.952 90 K CB 0.375 33.152 32.500 0.461 0.000 0.753 90 K HN 0.410 nan 8.250 nan 0.000 0.466 91 K N 1.015 121.600 120.400 0.308 0.000 2.486 91 K HA -0.005 4.315 4.320 0.000 0.000 0.194 91 K C 0.283 176.936 176.600 0.088 0.000 1.033 91 K CA 0.433 56.546 56.287 -0.290 0.000 1.004 91 K CB 0.251 32.120 32.500 -1.052 0.000 0.798 91 K HN -0.002 nan 8.250 nan 0.000 0.495 92 N N 1.842 120.699 118.700 0.261 0.000 2.623 92 N HA -0.021 4.719 4.740 0.000 0.000 0.263 92 N C -0.782 175.020 175.510 0.487 0.000 1.218 92 N CA 0.296 53.543 53.050 0.329 0.000 0.949 92 N CB 0.647 39.349 38.487 0.359 0.000 1.270 92 N HN 0.254 nan 8.380 nan 0.000 0.507 93 T N -4.113 110.703 114.554 0.437 0.000 2.895 93 T HA 0.331 4.681 4.350 0.000 0.000 0.283 93 T C 1.507 176.450 174.700 0.405 0.000 1.014 93 T CA -0.781 61.536 62.100 0.362 0.000 1.037 93 T CB 1.692 70.707 68.868 0.246 0.000 1.006 93 T HN -0.178 nan 8.240 nan 0.000 0.468 94 V N 1.655 121.743 119.914 0.289 0.000 2.332 94 V HA -0.137 3.983 4.120 0.000 0.000 0.248 94 V C 2.812 179.007 176.094 0.167 0.000 1.055 94 V CA 2.404 64.853 62.300 0.249 0.000 1.038 94 V CB -1.025 30.847 31.823 0.082 0.000 0.651 94 V HN 1.041 nan 8.190 nan 0.000 0.450 95 E N -0.292 119.945 120.200 0.063 0.000 2.077 95 E HA -0.222 4.128 4.350 0.000 0.000 0.193 95 E C 2.012 178.594 176.600 -0.029 0.000 0.989 95 E CA 1.728 58.103 56.400 -0.040 0.000 0.800 95 E CB -0.360 29.245 29.700 -0.157 0.000 0.746 95 E HN 0.669 nan 8.360 nan 0.000 0.452 96 Y N 0.750 121.143 120.300 0.155 0.000 2.314 96 Y HA -0.031 4.520 4.550 0.000 0.000 0.293 96 Y C 2.165 178.120 175.900 0.092 0.000 1.129 96 Y CA 1.269 59.454 58.100 0.141 0.000 1.201 96 Y CB -0.189 38.367 38.460 0.161 0.000 0.999 96 Y HN 0.189 nan 8.280 nan 0.000 0.541 97 Q N -0.285 119.658 119.800 0.237 0.000 2.378 97 Q HA -0.092 4.248 4.340 0.000 0.000 0.205 97 Q C 1.632 177.721 176.000 0.147 0.000 0.954 97 Q CA 0.716 56.612 55.803 0.154 0.000 0.901 97 Q CB -0.022 28.766 28.738 0.084 0.000 0.981 97 Q HN 0.452 nan 8.270 nan 0.000 0.483 98 K N 0.415 120.901 120.400 0.143 0.000 2.365 98 K HA 0.050 4.370 4.320 0.000 0.000 0.197 98 K C 0.370 177.032 176.600 0.104 0.000 1.042 98 K CA 0.441 56.791 56.287 0.105 0.000 0.987 98 K CB 0.412 32.959 32.500 0.079 0.000 0.779 98 K HN 0.096 nan 8.250 nan 0.000 0.484 99 N N 1.232 120.018 118.700 0.143 0.000 2.703 99 N HA 0.034 4.774 4.740 0.000 0.000 0.283 99 N C 0.257 175.909 175.510 0.236 0.000 1.851 99 N CA 0.035 53.180 53.050 0.158 0.000 0.826 99 N CB 0.992 39.560 38.487 0.135 0.000 1.239 99 N HN 0.029 nan 8.380 nan 0.000 0.495 100 I N 0.698 121.384 120.570 0.194 0.000 2.208 100 I HA -0.215 3.955 4.170 0.000 0.000 0.245 100 I C 0.876 177.119 176.117 0.210 0.000 1.097 100 I CA 1.817 63.230 61.300 0.190 0.000 1.363 100 I CB 0.144 38.219 38.000 0.125 0.000 1.051 100 I HN 0.117 nan 8.210 nan 0.000 0.413 101 D N 1.025 121.546 120.400 0.201 0.000 2.264 101 D HA -0.139 4.501 4.640 0.000 0.000 0.208 101 D C 2.005 178.400 176.300 0.158 0.000 0.966 101 D CA 0.576 54.688 54.000 0.188 0.000 0.864 101 D CB -0.097 40.842 40.800 0.230 0.000 0.933 101 D HN 0.306 nan 8.370 nan 0.000 0.499 102 K N 0.093 120.623 120.400 0.216 0.000 2.360 102 K HA -0.099 4.221 4.320 0.000 0.000 0.201 102 K C 1.728 178.426 176.600 0.163 0.000 1.046 102 K CA 0.080 56.502 56.287 0.225 0.000 0.945 102 K CB -0.443 32.258 32.500 0.336 0.000 0.750 102 K HN 0.234 nan 8.250 nan 0.000 0.464 103 F N 1.388 121.297 119.950 -0.069 0.000 2.365 103 F HA -0.154 4.373 4.527 0.000 0.000 0.300 103 F C 1.745 177.418 175.800 -0.210 0.000 1.090 103 F CA 0.513 58.304 58.000 -0.348 0.000 1.408 103 F CB -0.001 38.774 39.000 -0.374 0.000 1.060 103 F HN -0.284 nan 8.300 nan 0.000 0.534 104 V N 0.251 120.090 119.914 -0.125 0.000 2.469 104 V HA -0.348 3.773 4.120 0.000 0.000 0.251 104 V C 1.789 177.713 176.094 -0.284 0.000 1.064 104 V CA 2.278 64.456 62.300 -0.204 0.000 1.066 104 V CB -1.142 30.579 31.823 -0.170 0.000 0.667 104 V HN 0.365 nan 8.190 nan 0.000 0.461 105 N N 0.136 118.694 118.700 -0.237 0.000 2.188 105 N HA -0.117 4.623 4.740 0.000 0.000 0.184 105 N C 1.683 177.022 175.510 -0.285 0.000 1.018 105 N CA 1.214 54.145 53.050 -0.199 0.000 0.858 105 N CB -0.289 38.144 38.487 -0.089 0.000 0.989 105 N HN 0.331 nan 8.380 nan 0.000 0.426 106 V N 1.229 120.850 119.914 -0.489 0.000 2.295 106 V HA -0.209 3.911 4.120 0.000 0.000 0.246 106 V C 2.039 177.806 176.094 -0.545 0.000 1.049 106 V CA 1.424 63.376 62.300 -0.580 0.000 1.024 106 V CB -0.503 30.692 31.823 -1.047 0.000 0.648 106 V HN 0.292 nan 8.190 nan 0.000 0.447 107 I N -0.287 119.874 120.570 -0.682 0.000 2.099 107 I HA -0.343 3.827 4.170 0.000 0.000 0.239 107 I C 2.736 178.608 176.117 -0.409 0.000 1.066 107 I CA 1.851 62.796 61.300 -0.591 0.000 1.324 107 I CB -0.488 37.216 38.000 -0.493 0.000 1.037 107 I HN 0.337 nan 8.210 nan 0.000 0.401 108 Q N 0.411 120.027 119.800 -0.307 0.000 2.135 108 Q HA -0.178 4.162 4.340 0.000 0.000 0.204 108 Q C 2.277 178.181 176.000 -0.161 0.000 0.981 108 Q CA 1.619 57.297 55.803 -0.209 0.000 0.856 108 Q CB -0.500 28.132 28.738 -0.177 0.000 0.902 108 Q HN 0.672 nan 8.270 nan 0.000 0.425 109 G N 1.083 109.785 108.800 -0.163 0.000 2.509 109 G HA2 -0.237 3.723 3.960 0.000 0.000 0.218 109 G HA3 -0.237 3.723 3.960 0.000 0.000 0.218 109 G C 1.019 175.874 174.900 -0.075 0.000 1.124 109 G CA 0.796 45.834 45.100 -0.103 0.000 0.776 109 G HN 0.497 nan 8.290 nan 0.000 0.547 110 Q N -0.708 119.031 119.800 -0.102 0.000 2.135 110 Q HA 0.398 4.738 4.340 0.000 0.000 0.222 110 Q C -0.204 175.777 176.000 -0.030 0.000 0.808 110 Q CA -0.288 55.492 55.803 -0.038 0.000 1.049 110 Q CB 0.141 28.882 28.738 0.005 0.000 1.168 110 Q HN 0.252 nan 8.270 nan 0.000 0.483 111 L N 2.138 123.316 121.223 -0.074 0.000 2.277 111 L HA 0.489 4.829 4.340 0.000 0.000 0.284 111 L C -0.868 175.998 176.870 -0.007 0.000 1.028 111 L CA -0.786 54.031 54.840 -0.038 0.000 0.835 111 L CB 1.091 43.096 42.059 -0.091 0.000 1.215 111 L HN 0.188 nan 8.230 nan 0.000 0.425 112 M N 2.176 121.797 119.600 0.036 0.000 2.113 112 M HA 0.246 4.726 4.480 0.000 0.000 0.352 112 M C 0.315 176.646 176.300 0.052 0.000 1.170 112 M CA 0.000 55.330 55.300 0.049 0.000 1.053 112 M CB 1.450 34.103 32.600 0.088 0.000 1.601 112 M HN 0.310 nan 8.290 nan 0.000 0.459 113 S N 1.944 117.663 115.700 0.033 0.000 2.563 113 S HA 0.067 4.537 4.470 0.000 0.000 0.294 113 S C 1.534 176.166 174.600 0.053 0.000 1.279 113 S CA -0.542 57.678 58.200 0.034 0.000 1.069 113 S CB 0.483 63.692 63.200 0.015 0.000 0.828 113 S HN 0.588 nan 8.310 nan 0.000 0.497 114 V N 2.687 122.643 119.914 0.071 0.000 2.307 114 V HA -0.019 4.101 4.120 0.000 0.000 0.245 114 V C 1.225 177.326 176.094 0.012 0.000 1.045 114 V CA 1.531 63.870 62.300 0.064 0.000 1.024 114 V CB -0.035 31.868 31.823 0.134 0.000 0.651 114 V HN 0.800 nan 8.190 nan 0.000 0.449 115 S N -0.639 115.086 115.700 0.041 0.000 2.750 115 S HA 0.522 4.992 4.470 0.000 0.000 0.276 115 S C -1.157 173.446 174.600 0.006 0.000 1.165 115 S CA -0.492 57.695 58.200 -0.021 0.000 1.047 115 S CB 1.496 64.647 63.200 -0.082 0.000 1.056 115 S HN 0.006 nan 8.310 nan 0.000 0.481 116 V N 7.753 127.658 119.914 -0.015 0.000 2.357 116 V HA 0.563 4.683 4.120 0.000 0.000 0.284 116 V C -1.979 174.100 176.094 -0.026 0.000 1.018 116 V CA -1.780 60.510 62.300 -0.015 0.000 0.841 116 V CB 1.430 33.244 31.823 -0.016 0.000 0.991 116 V HN 0.709 nan 8.190 nan 0.000 0.437 117 P HA 0.198 nan 4.420 nan 0.000 0.274 117 P C -0.170 177.108 177.300 -0.037 0.000 1.246 117 P CA -0.193 62.890 63.100 -0.029 0.000 0.795 117 P CB 0.986 32.671 31.700 -0.025 0.000 1.006 118 V N 2.274 122.168 119.914 -0.032 0.000 2.617 118 V HA -0.044 4.076 4.120 0.000 0.000 0.304 118 V C 1.274 177.323 176.094 -0.075 0.000 1.040 118 V CA 0.254 62.531 62.300 -0.038 0.000 1.149 118 V CB -0.740 31.082 31.823 -0.002 0.000 0.914 118 V HN 0.619 nan 8.190 nan 0.000 0.487 119 N N 3.624 122.273 118.700 -0.086 0.000 2.488 119 N HA 0.109 4.849 4.740 0.000 0.000 0.274 119 N C 0.573 175.928 175.510 -0.258 0.000 1.111 119 N CA 0.372 53.346 53.050 -0.128 0.000 0.974 119 N CB 1.569 40.009 38.487 -0.078 0.000 1.089 119 N HN 0.870 nan 8.380 nan 0.000 0.465 120 T N 1.123 115.395 114.554 -0.471 0.000 3.252 120 T HA 0.141 4.491 4.350 0.000 0.000 0.286 120 T C 0.376 174.545 174.700 -0.885 0.000 1.013 120 T CA -0.532 60.850 62.100 -1.196 0.000 0.914 120 T CB -0.172 68.153 68.868 -0.906 0.000 1.131 120 T HN 0.219 nan 8.240 nan 0.000 0.529 121 L N 2.927 123.935 121.223 -0.357 0.000 2.410 121 L HA 0.456 4.796 4.340 0.000 0.000 0.273 121 L C -0.186 176.730 176.870 0.078 0.000 1.152 121 L CA -0.619 54.150 54.840 -0.120 0.000 0.855 121 L CB 0.779 42.807 42.059 -0.052 0.000 1.129 121 L HN 0.151 nan 8.230 nan 0.000 0.463 122 V N 6.395 126.380 119.914 0.119 0.000 2.432 122 V HA 0.262 4.382 4.120 0.000 0.000 0.271 122 V C -0.040 176.127 176.094 0.121 0.000 1.046 122 V CA -0.553 61.876 62.300 0.215 0.000 0.945 122 V CB 1.314 33.242 31.823 0.175 0.000 0.992 122 V HN 0.513 nan 8.190 nan 0.000 0.471 123 V N 5.351 125.336 119.914 0.117 0.000 2.334 123 V HA 0.379 4.499 4.120 0.000 0.000 0.281 123 V C 0.178 176.300 176.094 0.048 0.000 1.016 123 V CA -0.421 61.921 62.300 0.070 0.000 0.832 123 V CB 1.407 33.270 31.823 0.067 0.000 0.999 123 V HN 1.065 nan 8.190 nan 0.000 0.439 124 D N 1.953 122.374 120.400 0.035 0.000 2.535 124 D HA 0.004 4.644 4.640 0.000 0.000 0.229 124 D C 1.087 177.395 176.300 0.014 0.000 1.238 124 D CA 0.305 54.317 54.000 0.019 0.000 0.824 124 D CB 0.411 41.223 40.800 0.019 0.000 1.045 124 D HN 0.548 nan 8.370 nan 0.000 0.500 125 T N -1.650 112.915 114.554 0.018 0.000 3.215 125 T HA 0.338 4.688 4.350 0.000 0.000 0.271 125 T C 0.753 175.463 174.700 0.017 0.000 1.012 125 T CA -0.534 61.575 62.100 0.015 0.000 0.899 125 T CB -0.237 68.640 68.868 0.016 0.000 1.089 125 T HN 0.019 nan 8.240 nan 0.000 0.552 126 L N 1.985 123.219 121.223 0.018 0.000 2.483 126 L HA 0.278 4.618 4.340 0.000 0.000 0.275 126 L C 1.157 178.036 176.870 0.015 0.000 1.220 126 L CA -0.497 54.356 54.840 0.022 0.000 0.833 126 L CB 0.336 42.410 42.059 0.026 0.000 1.102 126 L HN 0.244 nan 8.230 nan 0.000 0.490 127 S N 1.763 117.475 115.700 0.020 0.000 2.560 127 S HA 0.097 4.567 4.470 0.000 0.000 0.284 127 S C -1.389 173.217 174.600 0.010 0.000 1.327 127 S CA -1.065 57.145 58.200 0.016 0.000 1.055 127 S CB 0.776 63.989 63.200 0.021 0.000 0.868 127 S HN 0.408 nan 8.310 nan 0.000 0.506 128 P HA -0.082 nan 4.420 nan 0.000 0.220 128 P C 1.368 178.668 177.300 0.001 0.000 1.144 128 P CA 1.332 64.428 63.100 -0.006 0.000 0.800 128 P CB -0.302 31.393 31.700 -0.008 0.000 0.772 129 T N -5.280 109.283 114.554 0.015 0.000 3.055 129 T HA 0.059 4.409 4.350 0.000 0.000 0.265 129 T C 1.018 175.749 174.700 0.051 0.000 1.111 129 T CA 0.161 62.278 62.100 0.028 0.000 1.118 129 T CB -0.658 68.228 68.868 0.031 0.000 0.909 129 T HN -0.083 nan 8.240 nan 0.000 0.501 130 S N 1.412 117.144 115.700 0.053 0.000 2.565 130 S HA 0.300 4.770 4.470 0.000 0.000 0.276 130 S C -0.574 174.101 174.600 0.124 0.000 1.326 130 S CA -1.008 57.250 58.200 0.097 0.000 1.045 130 S CB 0.173 63.423 63.200 0.085 0.000 0.918 130 S HN 0.600 nan 8.310 nan 0.000 0.505 131 W N 3.259 124.564 121.300 0.009 0.000 2.251 131 W HA 0.195 4.855 4.660 0.000 0.000 0.327 131 W C -0.024 176.506 176.519 0.019 0.000 1.361 131 W CA 0.250 57.600 57.345 0.008 0.000 1.234 131 W CB 0.397 29.861 29.460 0.007 0.000 1.212 131 W HN 0.385 nan 8.180 nan 0.000 0.557 132 Q N 4.341 123.762 119.800 -0.632 0.000 2.331 132 Q HA 0.497 4.837 4.340 0.000 0.000 0.272 132 Q C -0.465 174.796 176.000 -1.231 0.000 1.062 132 Q CA -0.739 54.676 55.803 -0.647 0.000 0.806 132 Q CB 1.943 30.504 28.738 -0.295 0.000 1.312 132 Q HN 0.619 nan 8.270 nan 0.000 0.431 133 A N 1.078 123.413 122.820 -0.807 0.000 2.313 133 A HA 0.375 4.695 4.320 0.000 0.000 0.261 133 A C 0.701 178.099 177.584 -0.309 0.000 1.090 133 A CA -0.059 51.685 52.037 -0.488 0.000 0.807 133 A CB 0.416 19.485 19.000 0.115 0.000 1.055 133 A HN 0.704 nan 8.150 nan 0.000 0.492 134 S N -0.578 114.981 115.700 -0.235 0.000 2.575 134 S HA 0.156 4.626 4.470 0.000 0.000 0.215 134 S C 0.596 175.090 174.600 -0.177 0.000 0.966 134 S CA 0.699 58.781 58.200 -0.197 0.000 0.911 134 S CB -0.326 62.784 63.200 -0.151 0.000 0.780 134 S HN 1.099 nan 8.310 nan 0.000 0.514 135 T N -1.500 112.976 114.554 -0.130 0.000 2.864 135 T HA 0.620 4.970 4.350 0.000 0.000 0.299 135 T C -0.821 173.818 174.700 -0.102 0.000 1.166 135 T CA -0.754 61.284 62.100 -0.103 0.000 1.007 135 T CB 0.692 69.598 68.868 0.063 0.000 1.219 135 T HN -0.083 nan 8.240 nan 0.000 0.506 136 F N 3.244 123.261 119.950 0.112 0.000 2.619 136 F HA 0.374 4.901 4.527 0.000 0.000 0.350 136 F C 0.467 176.300 175.800 0.056 0.000 1.259 136 F CA -1.624 56.401 58.000 0.042 0.000 1.204 136 F CB -0.951 38.049 39.000 0.000 0.000 1.556 136 F HN 0.563 nan 8.300 nan 0.000 0.650 137 F N -0.560 119.480 119.950 0.151 0.000 2.375 137 F HA 0.600 5.127 4.527 0.000 0.000 0.313 137 F C -0.080 175.789 175.800 0.115 0.000 1.176 137 F CA -1.662 56.408 58.000 0.117 0.000 1.142 137 F CB -0.122 38.937 39.000 0.098 0.000 1.275 137 F HN -0.167 nan 8.300 nan 0.000 0.544 138 V N 2.825 122.870 119.914 0.218 0.000 2.421 138 V HA 0.239 4.359 4.120 0.000 0.000 0.271 138 V C 0.193 176.313 176.094 0.044 0.000 1.031 138 V CA 0.113 62.467 62.300 0.091 0.000 1.032 138 V CB -0.505 31.393 31.823 0.125 0.000 1.009 138 V HN 0.771 nan 8.190 nan 0.000 0.477 139 R N 3.932 124.360 120.500 -0.121 0.000 2.725 139 R HA 0.397 4.737 4.340 0.000 0.000 0.277 139 R C 0.049 176.303 176.300 -0.077 0.000 0.987 139 R CA -0.813 55.170 56.100 -0.195 0.000 0.901 139 R CB 1.263 31.270 30.300 -0.488 0.000 1.207 139 R HN 0.717 nan 8.270 nan 0.000 0.463 140 N N 1.185 119.866 118.700 -0.032 0.000 2.721 140 N HA -0.206 4.534 4.740 0.000 0.000 0.249 140 N C 0.401 175.902 175.510 -0.015 0.000 1.072 140 N CA 1.647 54.685 53.050 -0.020 0.000 0.710 140 N CB -1.121 37.347 38.487 -0.032 0.000 0.993 140 N HN 1.044 nan 8.380 nan 0.000 0.547 141 G N -1.816 106.981 108.800 -0.005 0.000 2.148 141 G HA2 -0.328 3.632 3.960 0.000 0.000 0.254 141 G HA3 -0.328 3.632 3.960 0.000 0.000 0.254 141 G C 0.298 175.194 174.900 -0.006 0.000 0.981 141 G CA 0.846 45.945 45.100 -0.001 0.000 0.670 141 G HN 1.266 nan 8.290 nan 0.000 0.528 142 S N -0.617 115.073 115.700 -0.016 0.000 2.584 142 S HA 0.475 4.945 4.470 0.000 0.000 0.270 142 S C 0.147 174.739 174.600 -0.015 0.000 1.346 142 S CA 0.006 58.194 58.200 -0.021 0.000 1.018 142 S CB 1.784 64.964 63.200 -0.032 0.000 0.899 142 S HN 0.630 nan 8.310 nan 0.000 0.542 143 N N 2.072 120.756 118.700 -0.027 0.000 2.527 143 N HA 0.359 5.099 4.740 0.000 0.000 0.236 143 N C -1.672 173.823 175.510 -0.026 0.000 0.999 143 N CA -2.556 50.470 53.050 -0.040 0.000 0.935 143 N CB 1.197 39.633 38.487 -0.085 0.000 1.132 143 N HN 0.349 nan 8.380 nan 0.000 0.511 144 P HA -0.075 nan 4.420 nan 0.000 0.226 144 P C 0.354 177.676 177.300 0.037 0.000 1.153 144 P CA 0.926 64.043 63.100 0.028 0.000 0.777 144 P CB 0.568 32.299 31.700 0.052 0.000 0.794 145 E N -0.183 120.024 120.200 0.012 0.000 2.274 145 E HA -0.099 4.251 4.350 0.000 0.000 0.194 145 E C 0.955 177.566 176.600 0.018 0.000 0.996 145 E CA 0.586 57.011 56.400 0.042 0.000 0.840 145 E CB -0.164 29.487 29.700 -0.082 0.000 0.772 145 E HN 0.314 nan 8.360 nan 0.000 0.491 146 Q N 2.213 121.988 119.800 -0.042 0.000 2.307 146 Q HA 0.031 4.371 4.340 0.000 0.000 0.259 146 Q C -0.822 175.189 176.000 0.019 0.000 0.998 146 Q CA -0.198 55.581 55.803 -0.040 0.000 0.923 146 Q CB 0.789 29.487 28.738 -0.066 0.000 1.196 146 Q HN -0.199 nan 8.270 nan 0.000 0.416 147 D N 5.935 126.366 120.400 0.052 0.000 2.358 147 D HA 0.058 4.698 4.640 0.000 0.000 0.258 147 D C -1.697 174.623 176.300 0.033 0.000 1.223 147 D CA -1.853 52.178 54.000 0.051 0.000 0.886 147 D CB 1.297 42.141 40.800 0.073 0.000 1.120 147 D HN 0.443 nan 8.370 nan 0.000 0.482 148 P HA -0.064 nan 4.420 nan 0.000 0.226 148 P C 1.221 178.527 177.300 0.009 0.000 1.153 148 P CA 0.611 63.713 63.100 0.002 0.000 0.777 148 P CB 0.362 32.051 31.700 -0.018 0.000 0.794 149 L N -1.214 120.019 121.223 0.016 0.000 2.607 149 L HA 0.197 4.537 4.340 0.000 0.000 0.228 149 L C 1.536 178.425 176.870 0.032 0.000 1.123 149 L CA 0.210 55.060 54.840 0.018 0.000 0.890 149 L CB -0.094 41.972 42.059 0.010 0.000 1.103 149 L HN -0.171 nan 8.230 nan 0.000 0.468 150 R N -0.091 120.439 120.500 0.049 0.000 2.734 150 R HA 0.209 4.549 4.340 0.000 0.000 0.395 150 R C -0.408 175.957 176.300 0.108 0.000 1.096 150 R CA -0.259 55.884 56.100 0.071 0.000 1.071 150 R CB 0.337 30.681 30.300 0.074 0.000 1.348 150 R HN 0.052 nan 8.270 nan 0.000 0.600 151 N N 0.531 119.272 118.700 0.069 0.000 2.459 151 N HA 0.362 5.102 4.740 0.000 0.000 0.288 151 N C -0.756 174.683 175.510 -0.118 0.000 1.186 151 N CA -0.616 52.460 53.050 0.043 0.000 0.917 151 N CB 1.208 39.717 38.487 0.037 0.000 1.219 151 N HN 0.069 nan 8.380 nan 0.000 0.525 152 L N 2.115 123.114 121.223 -0.374 0.000 2.417 152 L HA 0.222 4.562 4.340 0.000 0.000 0.258 152 L C 1.383 178.082 176.870 -0.285 0.000 1.088 152 L CA -0.301 54.198 54.840 -0.568 0.000 0.975 152 L CB 0.473 41.800 42.059 -1.219 0.000 1.341 152 L HN 0.653 nan 8.230 nan 0.000 0.431 153 S N -0.076 115.545 115.700 -0.131 0.000 2.423 153 S HA -0.104 4.366 4.470 0.000 0.000 0.231 153 S C 1.772 176.339 174.600 -0.055 0.000 1.014 153 S CA 0.904 59.071 58.200 -0.056 0.000 0.965 153 S CB -0.134 63.047 63.200 -0.032 0.000 0.785 153 S HN 0.646 nan 8.310 nan 0.000 0.495 154 G N 0.447 109.198 108.800 -0.081 0.000 2.712 154 G HA2 0.083 4.043 3.960 0.000 0.000 0.212 154 G HA3 0.083 4.043 3.960 0.000 0.000 0.212 154 G C 0.574 175.437 174.900 -0.062 0.000 1.142 154 G CA -0.273 44.790 45.100 -0.062 0.000 0.789 154 G HN 0.365 nan 8.290 nan 0.000 0.535 155 Q N 0.634 120.373 119.800 -0.103 0.000 2.300 155 Q HA 0.497 4.837 4.340 0.000 0.000 0.280 155 Q C -0.135 175.880 176.000 0.024 0.000 1.033 155 Q CA 0.274 56.041 55.803 -0.059 0.000 0.903 155 Q CB 1.356 30.020 28.738 -0.123 0.000 1.195 155 Q HN 0.286 nan 8.270 nan 0.000 0.386 156 A N 2.105 124.946 122.820 0.034 0.000 2.587 156 A HA 0.733 5.053 4.320 0.000 0.000 0.293 156 A C -1.009 176.610 177.584 0.059 0.000 1.087 156 A CA -0.584 51.479 52.037 0.044 0.000 0.692 156 A CB 1.413 20.426 19.000 0.021 0.000 1.291 156 A HN 0.470 nan 8.150 nan 0.000 0.407 157 V N -1.802 118.156 119.914 0.074 0.000 2.914 157 V HA 0.942 5.062 4.120 0.000 0.000 0.314 157 V C -0.462 175.708 176.094 0.126 0.000 1.084 157 V CA -0.508 61.851 62.300 0.099 0.000 0.963 157 V CB 1.634 33.527 31.823 0.116 0.000 1.025 157 V HN 0.869 nan 8.190 nan 0.000 0.432 158 T N 3.204 117.841 114.554 0.139 0.000 2.809 158 T HA 0.568 4.918 4.350 0.000 0.000 0.284 158 T C -0.335 174.428 174.700 0.106 0.000 0.992 158 T CA -0.462 61.718 62.100 0.132 0.000 0.957 158 T CB 1.046 70.023 68.868 0.183 0.000 0.942 158 T HN 0.767 nan 8.240 nan 0.000 0.439 159 R N 2.622 123.174 120.500 0.086 0.000 2.332 159 R HA 0.618 4.958 4.340 0.000 0.000 0.306 159 R C -0.737 175.591 176.300 0.046 0.000 1.117 159 R CA -0.632 55.494 56.100 0.043 0.000 1.108 159 R CB 0.866 31.171 30.300 0.008 0.000 1.126 159 R HN 0.530 nan 8.270 nan 0.000 0.548 160 V N -1.433 118.505 119.914 0.041 0.000 3.077 160 V HA 0.389 4.509 4.120 0.000 0.000 0.299 160 V C -0.156 175.957 176.094 0.032 0.000 1.276 160 V CA -1.157 61.169 62.300 0.043 0.000 0.993 160 V CB 1.874 33.732 31.823 0.057 0.000 1.076 160 V HN 0.175 nan 8.190 nan 0.000 0.434 161 V N 3.704 123.639 119.914 0.034 0.000 2.599 161 V HA 0.495 4.615 4.120 0.000 0.000 0.300 161 V C 1.794 177.904 176.094 0.027 0.000 1.034 161 V CA 1.920 64.239 62.300 0.031 0.000 1.115 161 V CB 0.152 31.995 31.823 0.033 0.000 0.934 161 V HN 2.201 nan 8.190 nan 0.000 0.485 162 G N 3.171 111.982 108.800 0.017 0.000 2.195 162 G HA2 -0.021 3.939 3.960 0.000 0.000 0.246 162 G HA3 -0.021 3.939 3.960 0.000 0.000 0.246 162 G C 1.047 175.918 174.900 -0.049 0.000 0.984 162 G CA 0.367 45.464 45.100 -0.004 0.000 0.633 162 G HN 2.172 nan 8.290 nan 0.000 0.525 163 G N 0.042 108.825 108.800 -0.029 0.000 2.582 163 G HA2 -0.279 3.681 3.960 0.000 0.000 0.288 163 G HA3 -0.279 3.681 3.960 0.000 0.000 0.288 163 G C 1.154 175.990 174.900 -0.107 0.000 1.247 163 G CA 1.235 46.311 45.100 -0.041 0.000 0.972 163 G HN 1.094 nan 8.290 nan 0.000 0.557 164 M N 1.637 121.133 119.600 -0.173 0.000 2.557 164 M HA 0.020 4.501 4.480 0.000 0.000 0.259 164 M C 2.696 178.618 176.300 -0.628 0.000 1.086 164 M CA 1.628 56.678 55.300 -0.417 0.000 1.096 164 M CB -0.159 32.307 32.600 -0.222 0.000 1.424 164 M HN 0.715 nan 8.290 nan 0.000 0.488 165 S N -0.391 115.004 115.700 -0.508 0.000 2.555 165 S HA -0.077 4.393 4.470 0.000 0.000 0.230 165 S C 1.731 176.183 174.600 -0.247 0.000 0.978 165 S CA 1.227 59.023 58.200 -0.673 0.000 0.934 165 S CB -0.948 61.895 63.200 -0.596 0.000 0.766 165 S HN 0.581 nan 8.310 nan 0.000 0.533 166 T N -0.515 113.897 114.554 -0.237 0.000 3.055 166 T HA -0.032 4.318 4.350 0.000 0.000 0.265 166 T C 1.452 175.977 174.700 -0.291 0.000 1.111 166 T CA 1.009 63.010 62.100 -0.166 0.000 1.118 166 T CB -0.704 68.158 68.868 -0.011 0.000 0.909 166 T HN 0.913 nan 8.240 nan 0.000 0.501 167 H N -1.999 116.986 119.070 -0.142 0.000 3.540 167 H HA 0.208 4.764 4.556 0.000 0.000 0.259 167 H C 0.541 176.039 175.328 0.283 0.000 1.197 167 H CA -1.042 55.057 56.048 0.085 0.000 1.136 167 H CB -0.469 29.342 29.762 0.081 0.000 1.605 167 H HN 0.497 nan 8.280 nan 0.000 0.657 168 W N 2.800 124.012 121.300 -0.146 0.000 2.079 168 W HA 0.269 4.929 4.660 0.000 0.000 0.354 168 W C 0.065 176.668 176.519 0.140 0.000 1.302 168 W CA -0.083 57.297 57.345 0.059 0.000 1.281 168 W CB -0.183 29.239 29.460 -0.063 0.000 1.165 168 W HN -0.185 nan 8.180 nan 0.000 0.603 169 T N 0.985 115.495 114.554 -0.073 0.000 3.055 169 T HA -0.030 4.320 4.350 0.000 0.000 0.265 169 T C 1.065 175.345 174.700 -0.701 0.000 1.111 169 T CA 1.288 63.183 62.100 -0.342 0.000 1.118 169 T CB -0.520 68.301 68.868 -0.078 0.000 0.909 169 T HN 0.673 nan 8.240 nan 0.000 0.501 170 C N 0.845 119.364 119.300 -1.301 0.000 4.617 170 C HA -0.095 4.365 4.460 0.000 0.000 0.260 170 C C 1.092 175.601 174.990 -0.801 0.000 1.288 170 C CA -0.823 57.186 59.018 -1.681 0.000 1.668 170 C CB -2.700 24.526 27.740 -0.858 0.000 1.518 170 C HN 0.777 nan 8.230 nan 0.000 0.708 171 A N 1.103 123.646 122.820 -0.463 0.000 2.404 171 A HA 0.575 4.895 4.320 0.000 0.000 0.273 171 A C 0.757 178.259 177.584 -0.136 0.000 1.144 171 A CA 1.116 53.034 52.037 -0.199 0.000 0.806 171 A CB 0.193 19.137 19.000 -0.092 0.000 1.080 171 A HN 1.439 nan 8.150 nan 0.000 0.509 172 T N 1.457 115.952 114.554 -0.097 0.000 3.418 172 T HA 0.517 4.867 4.350 0.000 0.000 0.315 172 T C -2.799 171.866 174.700 -0.058 0.000 1.447 172 T CA -1.437 60.647 62.100 -0.026 0.000 1.641 172 T CB 0.649 69.538 68.868 0.035 0.000 0.904 172 T HN 0.434 nan 8.240 nan 0.000 0.640 173 P HA 0.394 nan 4.420 nan 0.000 0.276 173 P C -0.202 176.969 177.300 -0.216 0.000 1.244 173 P CA -0.625 62.381 63.100 -0.156 0.000 0.801 173 P CB 1.049 32.618 31.700 -0.219 0.000 1.006 174 R N 0.872 121.158 120.500 -0.357 0.000 2.539 174 R HA 0.371 4.711 4.340 0.000 0.000 0.275 174 R C 0.036 176.221 176.300 -0.192 0.000 1.077 174 R CA -0.396 55.299 56.100 -0.676 0.000 1.097 174 R CB 0.137 29.906 30.300 -0.885 0.000 1.018 174 R HN 0.373 nan 8.270 nan 0.000 0.483 175 F N 2.156 121.886 119.950 -0.367 0.000 2.412 175 F HA 0.047 4.574 4.527 0.000 0.000 0.348 175 F C 1.023 176.651 175.800 -0.287 0.000 1.102 175 F CA -1.469 56.348 58.000 -0.305 0.000 1.196 175 F CB 0.322 39.138 39.000 -0.307 0.000 1.144 175 F HN 0.551 nan 8.300 nan 0.000 0.541 176 D N 2.488 122.822 120.400 -0.109 0.000 2.398 176 D HA 0.127 4.767 4.640 0.000 0.000 0.247 176 D C 1.039 177.262 176.300 -0.129 0.000 1.227 176 D CA -0.433 53.503 54.000 -0.107 0.000 0.980 176 D CB 0.557 41.307 40.800 -0.084 0.000 1.106 176 D HN 0.473 nan 8.370 nan 0.000 0.493 177 R N -0.448 120.000 120.500 -0.086 0.000 2.117 177 R HA -0.187 4.153 4.340 0.000 0.000 0.243 177 R C 2.068 178.318 176.300 -0.083 0.000 1.143 177 R CA 1.720 57.775 56.100 -0.075 0.000 0.968 177 R CB -0.264 30.024 30.300 -0.021 0.000 0.863 177 R HN 0.680 nan 8.270 nan 0.000 0.444 178 E N 0.736 120.885 120.200 -0.085 0.000 2.204 178 E HA -0.223 4.127 4.350 0.000 0.000 0.195 178 E C 1.432 177.931 176.600 -0.168 0.000 0.990 178 E CA 1.204 57.560 56.400 -0.074 0.000 0.821 178 E CB 0.209 29.917 29.700 0.013 0.000 0.750 178 E HN 0.424 nan 8.360 nan 0.000 0.477 179 Q N -0.497 119.106 119.800 -0.328 0.000 2.356 179 Q HA 0.122 4.462 4.340 0.000 0.000 0.205 179 Q C 0.335 176.231 176.000 -0.174 0.000 0.901 179 Q CA -0.139 55.399 55.803 -0.442 0.000 0.938 179 Q CB 0.629 28.783 28.738 -0.974 0.000 1.081 179 Q HN -0.045 nan 8.270 nan 0.000 0.517 180 R N 2.141 122.581 120.500 -0.100 0.000 2.346 180 R HA 0.284 4.624 4.340 0.000 0.000 0.311 180 R C -2.556 173.706 176.300 -0.063 0.000 0.983 180 R CA -2.093 53.935 56.100 -0.120 0.000 0.880 180 R CB 0.885 30.940 30.300 -0.407 0.000 1.100 180 R HN -0.133 nan 8.270 nan 0.000 0.453 181 P HA 0.017 nan 4.420 nan 0.000 0.269 181 P C -0.620 176.847 177.300 0.279 0.000 1.215 181 P CA -0.025 63.164 63.100 0.147 0.000 0.780 181 P CB 0.578 32.395 31.700 0.194 0.000 0.898 182 L N 2.723 124.073 121.223 0.211 0.000 2.367 182 L HA 0.175 4.515 4.340 0.000 0.000 0.275 182 L C 1.617 178.643 176.870 0.261 0.000 1.129 182 L CA -0.137 54.893 54.840 0.317 0.000 0.839 182 L CB 0.274 42.568 42.059 0.392 0.000 1.133 182 L HN 0.369 nan 8.230 nan 0.000 0.453 183 L N 3.454 124.883 121.223 0.344 0.000 2.537 183 L HA 0.216 4.556 4.340 0.000 0.000 0.224 183 L C -0.155 176.903 176.870 0.314 0.000 1.065 183 L CA 0.241 55.176 54.840 0.158 0.000 0.860 183 L CB 0.785 42.730 42.059 -0.189 0.000 1.086 183 L HN 0.319 nan 8.230 nan 0.000 0.482 184 V N 1.604 121.700 119.914 0.303 0.000 2.487 184 V HA 0.217 4.337 4.120 0.000 0.000 0.298 184 V C -0.231 175.952 176.094 0.149 0.000 1.028 184 V CA -1.000 61.411 62.300 0.185 0.000 0.860 184 V CB 1.672 33.554 31.823 0.099 0.000 0.991 184 V HN 0.174 nan 8.190 nan 0.000 0.427 185 K N 2.645 122.993 120.400 -0.086 0.000 2.218 185 K HA 0.337 4.658 4.320 0.000 0.000 0.276 185 K C -0.357 176.203 176.600 -0.066 0.000 1.022 185 K CA -0.354 55.842 56.287 -0.152 0.000 0.946 185 K CB 0.781 32.989 32.500 -0.486 0.000 1.000 185 K HN 0.676 nan 8.250 nan 0.000 0.468 186 D N 0.874 121.263 120.400 -0.018 0.000 2.772 186 D HA -0.164 4.476 4.640 0.000 0.000 0.233 186 D C -0.853 175.451 176.300 0.008 0.000 1.143 186 D CA 1.404 55.401 54.000 -0.006 0.000 0.700 186 D CB -0.742 40.041 40.800 -0.028 0.000 1.076 186 D HN 0.790 nan 8.370 nan 0.000 0.430 187 D N -1.396 119.022 120.400 0.029 0.000 2.491 187 D HA 0.356 4.996 4.640 0.000 0.000 0.232 187 D C 0.847 177.183 176.300 0.060 0.000 1.334 187 D CA 0.211 54.232 54.000 0.036 0.000 0.909 187 D CB 0.373 41.188 40.800 0.025 0.000 1.513 187 D HN -0.002 nan 8.370 nan 0.000 0.514 188 A N 2.336 125.193 122.820 0.062 0.000 1.933 188 A HA -0.165 4.155 4.320 0.000 0.000 0.218 188 A C 1.639 179.272 177.584 0.081 0.000 1.175 188 A CA 1.485 53.569 52.037 0.078 0.000 0.628 188 A CB -0.032 19.006 19.000 0.063 0.000 0.814 188 A HN 0.481 nan 8.150 nan 0.000 0.444 189 D N 0.082 120.519 120.400 0.062 0.000 2.117 189 D HA -0.029 4.611 4.640 0.000 0.000 0.198 189 D C 2.221 178.561 176.300 0.065 0.000 0.982 189 D CA 1.461 55.497 54.000 0.059 0.000 0.828 189 D CB -0.412 40.414 40.800 0.043 0.000 0.967 189 D HN 0.440 nan 8.370 nan 0.000 0.464 190 A N 0.923 123.779 122.820 0.059 0.000 1.898 190 A HA -0.190 4.130 4.320 0.000 0.000 0.216 190 A C 1.966 179.595 177.584 0.075 0.000 1.181 190 A CA 1.864 53.933 52.037 0.053 0.000 0.620 190 A CB -0.555 18.468 19.000 0.038 0.000 0.819 190 A HN 0.136 nan 8.150 nan 0.000 0.442 191 D N -0.105 120.364 120.400 0.114 0.000 2.097 191 D HA -0.168 4.472 4.640 0.000 0.000 0.195 191 D C 1.309 177.772 176.300 0.270 0.000 0.989 191 D CA 1.632 55.747 54.000 0.192 0.000 0.827 191 D CB -0.148 40.791 40.800 0.232 0.000 0.966 191 D HN 0.335 nan 8.370 nan 0.000 0.456 192 D N -0.315 120.211 120.400 0.212 0.000 2.104 192 D HA -0.150 4.490 4.640 0.000 0.000 0.194 192 D C 1.956 178.367 176.300 0.186 0.000 0.994 192 D CA 1.562 55.687 54.000 0.207 0.000 0.830 192 D CB -0.572 40.305 40.800 0.128 0.000 0.959 192 D HN 0.330 nan 8.370 nan 0.000 0.452 193 A N 0.497 123.388 122.820 0.117 0.000 1.930 193 A HA -0.175 4.145 4.320 0.000 0.000 0.217 193 A C 2.127 179.742 177.584 0.051 0.000 1.175 193 A CA 1.867 53.950 52.037 0.077 0.000 0.627 193 A CB -0.496 18.531 19.000 0.045 0.000 0.815 193 A HN 0.233 nan 8.150 nan 0.000 0.443 194 E N -1.038 119.173 120.200 0.018 0.000 2.072 194 E HA -0.197 4.153 4.350 0.000 0.000 0.191 194 E C 1.675 178.183 176.600 -0.154 0.000 0.985 194 E CA 1.419 57.758 56.400 -0.102 0.000 0.801 194 E CB -0.408 29.186 29.700 -0.177 0.000 0.750 194 E HN 0.723 nan 8.360 nan 0.000 0.452 195 W N 0.763 122.033 121.300 -0.050 0.000 2.388 195 W HA -0.080 4.580 4.660 0.000 0.000 0.294 195 W C 2.111 178.634 176.519 0.006 0.000 1.212 195 W CA 1.177 58.458 57.345 -0.106 0.000 1.271 195 W CB -0.311 29.129 29.460 -0.035 0.000 1.126 195 W HN 0.247 nan 8.180 nan 0.000 0.535 196 D N 0.010 120.587 120.400 0.296 0.000 2.117 196 D HA -0.217 4.423 4.640 0.000 0.000 0.197 196 D C 2.148 178.525 176.300 0.129 0.000 0.987 196 D CA 1.504 55.640 54.000 0.226 0.000 0.829 196 D CB -0.187 40.701 40.800 0.146 0.000 0.961 196 D HN -0.044 nan 8.370 nan 0.000 0.460 197 R N -0.400 120.128 120.500 0.046 0.000 2.073 197 R HA -0.090 4.250 4.340 0.000 0.000 0.234 197 R C 2.462 178.726 176.300 -0.061 0.000 1.134 197 R CA 1.192 57.281 56.100 -0.018 0.000 0.952 197 R CB -0.293 29.975 30.300 -0.053 0.000 0.850 197 R HN 0.261 nan 8.270 nan 0.000 0.433 198 L N -0.715 120.440 121.223 -0.114 0.000 2.027 198 L HA -0.169 4.171 4.340 0.000 0.000 0.206 198 L C 2.320 179.128 176.870 -0.104 0.000 1.074 198 L CA 1.107 55.825 54.840 -0.202 0.000 0.745 198 L CB -0.576 41.252 42.059 -0.385 0.000 0.898 198 L HN 0.199 nan 8.230 nan 0.000 0.433 199 Y N 0.409 120.715 120.300 0.008 0.000 2.224 199 Y HA -0.235 4.315 4.550 0.000 0.000 0.289 199 Y C 2.876 178.756 175.900 -0.032 0.000 1.146 199 Y CA 1.525 59.637 58.100 0.021 0.000 1.182 199 Y CB -1.151 37.355 38.460 0.076 0.000 0.983 199 Y HN 0.142 nan 8.280 nan 0.000 0.524 200 T N -0.303 114.321 114.554 0.118 0.000 2.720 200 T HA -0.227 4.123 4.350 0.000 0.000 0.268 200 T C 1.987 176.652 174.700 -0.059 0.000 1.037 200 T CA 1.745 63.864 62.100 0.031 0.000 1.144 200 T CB -0.181 68.698 68.868 0.018 0.000 0.864 200 T HN 0.230 nan 8.240 nan 0.000 0.444 201 K N 0.765 121.073 120.400 -0.152 0.000 2.057 201 K HA 0.011 4.331 4.320 0.000 0.000 0.206 201 K C 2.563 178.833 176.600 -0.550 0.000 1.050 201 K CA 1.087 57.151 56.287 -0.371 0.000 0.935 201 K CB -0.295 31.948 32.500 -0.430 0.000 0.715 201 K HN 0.273 nan 8.250 nan 0.000 0.439 202 A N 1.352 123.973 122.820 -0.331 0.000 1.908 202 A HA -0.217 4.103 4.320 0.000 0.000 0.218 202 A C 1.828 179.418 177.584 0.011 0.000 1.181 202 A CA 1.797 53.716 52.037 -0.197 0.000 0.627 202 A CB -0.503 18.497 19.000 0.000 0.000 0.818 202 A HN 0.447 nan 8.150 nan 0.000 0.445 203 E N -0.591 119.653 120.200 0.073 0.000 2.110 203 E HA -0.152 4.198 4.350 0.000 0.000 0.193 203 E C 2.274 178.952 176.600 0.130 0.000 0.988 203 E CA 1.198 57.685 56.400 0.144 0.000 0.804 203 E CB -0.176 29.582 29.700 0.096 0.000 0.745 203 E HN 0.618 nan 8.360 nan 0.000 0.458 204 S N -0.321 115.401 115.700 0.038 0.000 2.368 204 S HA -0.168 4.302 4.470 0.000 0.000 0.225 204 S C 1.848 176.576 174.600 0.213 0.000 1.030 204 S CA 0.921 59.168 58.200 0.077 0.000 0.999 204 S CB -0.211 62.992 63.200 0.006 0.000 0.844 204 S HN 0.261 nan 8.310 nan 0.000 0.459 205 Y N 0.250 120.561 120.300 0.018 0.000 2.181 205 Y HA 0.035 4.585 4.550 0.000 0.000 0.288 205 Y C 2.067 177.996 175.900 0.048 0.000 1.146 205 Y CA 0.382 58.462 58.100 -0.034 0.000 1.164 205 Y CB -1.136 37.216 38.460 -0.179 0.000 0.982 205 Y HN 0.334 nan 8.280 nan 0.000 0.515 206 F N 0.281 120.389 119.950 0.263 0.000 2.780 206 F HA 0.036 4.563 4.527 0.000 0.000 0.299 206 F C 0.784 176.695 175.800 0.186 0.000 1.146 206 F CA 0.150 58.294 58.000 0.240 0.000 1.428 206 F CB -0.358 38.806 39.000 0.273 0.000 1.115 206 F HN 0.020 nan 8.300 nan 0.000 0.583 207 Q N 0.443 120.432 119.800 0.316 0.000 2.463 207 Q HA -0.193 4.147 4.340 0.000 0.000 0.299 207 Q C 0.044 176.133 176.000 0.148 0.000 1.353 207 Q CA 0.751 56.665 55.803 0.186 0.000 0.828 207 Q CB -2.690 26.134 28.738 0.142 0.000 1.157 207 Q HN 0.212 nan 8.270 nan 0.000 0.436 208 T N 0.134 114.790 114.554 0.170 0.000 2.902 208 T HA 0.427 4.778 4.350 0.000 0.000 0.301 208 T C 0.798 175.531 174.700 0.054 0.000 1.012 208 T CA 0.597 62.760 62.100 0.106 0.000 1.151 208 T CB 1.222 70.163 68.868 0.122 0.000 0.946 208 T HN 0.484 nan 8.240 nan 0.000 0.542 209 G N 0.841 109.657 108.800 0.027 0.000 2.725 209 G HA2 0.574 4.534 3.960 0.000 0.000 0.288 209 G HA3 0.574 4.534 3.960 0.000 0.000 0.288 209 G C 0.100 175.009 174.900 0.016 0.000 1.399 209 G CA -0.613 44.494 45.100 0.011 0.000 0.859 209 G HN 0.615 nan 8.290 nan 0.000 0.479 210 T N -2.514 112.048 114.554 0.015 0.000 3.337 210 T HA 0.265 4.615 4.350 0.000 0.000 0.299 210 T C 0.102 174.818 174.700 0.026 0.000 0.998 210 T CA 0.491 62.611 62.100 0.032 0.000 0.948 210 T CB 0.363 69.254 68.868 0.038 0.000 1.170 210 T HN 0.506 nan 8.240 nan 0.000 0.508 211 D N 0.311 120.705 120.400 -0.009 0.000 2.514 211 D HA 0.042 4.682 4.640 0.000 0.000 0.225 211 D C 1.302 177.529 176.300 -0.122 0.000 1.159 211 D CA -0.028 53.942 54.000 -0.050 0.000 0.823 211 D CB -0.068 40.699 40.800 -0.056 0.000 1.097 211 D HN 0.283 nan 8.370 nan 0.000 0.519 212 Q N -0.371 119.352 119.800 -0.128 0.000 2.436 212 Q HA 0.158 4.498 4.340 0.000 0.000 0.209 212 Q C 0.307 175.911 176.000 -0.661 0.000 0.965 212 Q CA 0.867 56.461 55.803 -0.348 0.000 0.910 212 Q CB -0.240 28.278 28.738 -0.368 0.000 0.980 212 Q HN 0.278 nan 8.270 nan 0.000 0.491 213 F N -0.242 119.538 119.950 -0.283 0.000 2.683 213 F HA 0.232 4.759 4.527 0.000 0.000 0.306 213 F C 1.245 176.807 175.800 -0.397 0.000 1.102 213 F CA -0.544 57.237 58.000 -0.366 0.000 1.244 213 F CB 0.363 39.079 39.000 -0.474 0.000 1.029 213 F HN -0.003 nan 8.300 nan 0.000 0.545 214 K N 0.411 120.691 120.400 -0.201 0.000 2.209 214 K HA -0.103 4.217 4.320 0.000 0.000 0.204 214 K C 0.702 177.213 176.600 -0.149 0.000 1.048 214 K CA 1.669 57.895 56.287 -0.101 0.000 0.940 214 K CB -0.191 32.255 32.500 -0.090 0.000 0.729 214 K HN 0.307 nan 8.250 nan 0.000 0.451 215 E N 1.617 121.602 120.200 -0.358 0.000 2.496 215 E HA 0.053 4.403 4.350 0.000 0.000 0.200 215 E C -0.703 175.727 176.600 -0.282 0.000 1.016 215 E CA -0.342 55.602 56.400 -0.760 0.000 0.962 215 E CB 0.945 29.995 29.700 -1.084 0.000 1.071 215 E HN 0.226 nan 8.360 nan 0.000 0.457 216 S N 0.662 116.348 115.700 -0.023 0.000 2.505 216 S HA 0.147 4.617 4.470 0.000 0.000 0.276 216 S C 1.207 175.893 174.600 0.143 0.000 1.274 216 S CA -0.409 57.843 58.200 0.086 0.000 1.053 216 S CB 0.455 63.761 63.200 0.177 0.000 0.919 216 S HN 0.211 nan 8.310 nan 0.000 0.490 217 I N 4.949 125.475 120.570 -0.072 0.000 2.179 217 I HA -0.157 4.013 4.170 0.000 0.000 0.242 217 I C 2.749 178.701 176.117 -0.276 0.000 1.088 217 I CA 1.161 62.159 61.300 -0.504 0.000 1.357 217 I CB -0.234 37.197 38.000 -0.948 0.000 1.051 217 I HN 0.701 nan 8.210 nan 0.000 0.409 218 R N -0.432 119.991 120.500 -0.128 0.000 2.091 218 R HA -0.248 4.092 4.340 0.000 0.000 0.238 218 R C 2.375 178.708 176.300 0.054 0.000 1.136 218 R CA 1.895 57.972 56.100 -0.038 0.000 0.959 218 R CB -0.734 29.556 30.300 -0.016 0.000 0.856 218 R HN 0.433 nan 8.270 nan 0.000 0.437 219 H N 1.088 120.177 119.070 0.032 0.000 2.319 219 H HA -0.079 4.477 4.556 0.000 0.000 0.299 219 H C 1.773 177.172 175.328 0.117 0.000 1.092 219 H CA 1.981 58.071 56.048 0.070 0.000 1.302 219 H CB -0.067 29.769 29.762 0.123 0.000 1.373 219 H HN 0.141 nan 8.280 nan 0.000 0.497 220 N N -0.053 118.762 118.700 0.191 0.000 2.270 220 N HA -0.115 4.625 4.740 0.000 0.000 0.181 220 N C 2.004 177.662 175.510 0.248 0.000 1.016 220 N CA 0.890 54.098 53.050 0.262 0.000 0.870 220 N CB -0.200 38.650 38.487 0.605 0.000 0.979 220 N HN 0.292 nan 8.380 nan 0.000 0.431 221 L N 1.406 122.782 121.223 0.255 0.000 2.013 221 L HA -0.148 4.192 4.340 0.000 0.000 0.212 221 L C 2.152 179.075 176.870 0.089 0.000 1.073 221 L CA 1.436 56.415 54.840 0.232 0.000 0.753 221 L CB -0.624 41.525 42.059 0.150 0.000 0.890 221 L HN -0.113 nan 8.230 nan 0.000 0.432 222 V N -0.941 118.978 119.914 0.008 0.000 2.270 222 V HA -0.250 3.870 4.120 0.000 0.000 0.245 222 V C 2.423 178.442 176.094 -0.125 0.000 1.043 222 V CA 1.540 63.809 62.300 -0.052 0.000 1.014 222 V CB -0.744 31.021 31.823 -0.096 0.000 0.645 222 V HN 0.488 nan 8.190 nan 0.000 0.447 223 L N 1.213 122.323 121.223 -0.188 0.000 1.997 223 L HA -0.239 4.102 4.340 0.000 0.000 0.216 223 L C 2.214 179.018 176.870 -0.111 0.000 1.074 223 L CA 2.263 56.992 54.840 -0.184 0.000 0.763 223 L CB -1.006 40.922 42.059 -0.217 0.000 0.890 223 L HN 0.343 nan 8.230 nan 0.000 0.434 224 N N -0.387 118.298 118.700 -0.026 0.000 2.142 224 N HA -0.192 4.548 4.740 0.000 0.000 0.186 224 N C 1.837 177.330 175.510 -0.029 0.000 1.023 224 N CA 1.304 54.357 53.050 0.005 0.000 0.852 224 N CB -0.339 38.179 38.487 0.052 0.000 0.998 224 N HN 0.290 nan 8.380 nan 0.000 0.424 225 K N 1.388 121.768 120.400 -0.033 0.000 2.026 225 K HA 0.057 4.377 4.320 0.000 0.000 0.208 225 K C 1.936 178.483 176.600 -0.088 0.000 1.048 225 K CA 0.943 57.207 56.287 -0.038 0.000 0.929 225 K CB -0.481 32.016 32.500 -0.005 0.000 0.713 225 K HN 0.119 nan 8.250 nan 0.000 0.439 226 L N 0.051 121.143 121.223 -0.219 0.000 2.093 226 L HA -0.159 4.181 4.340 0.000 0.000 0.208 226 L C 2.248 178.914 176.870 -0.340 0.000 1.085 226 L CA 1.651 56.230 54.840 -0.434 0.000 0.755 226 L CB -0.810 40.564 42.059 -1.141 0.000 0.904 226 L HN 0.258 nan 8.230 nan 0.000 0.435 227 T N -0.709 113.699 114.554 -0.243 0.000 2.684 227 T HA -0.270 4.080 4.350 0.000 0.000 0.267 227 T C 1.763 176.513 174.700 0.084 0.000 1.036 227 T CA 1.814 63.944 62.100 0.049 0.000 1.148 227 T CB -0.167 68.742 68.868 0.068 0.000 0.863 227 T HN 0.423 nan 8.240 nan 0.000 0.436 228 E N 0.730 120.943 120.200 0.021 0.000 2.038 228 E HA -0.214 4.136 4.350 0.000 0.000 0.195 228 E C 2.170 178.772 176.600 0.004 0.000 1.000 228 E CA 1.165 57.572 56.400 0.011 0.000 0.803 228 E CB -0.017 29.674 29.700 -0.015 0.000 0.750 228 E HN 0.348 nan 8.360 nan 0.000 0.448 229 E N -0.281 119.907 120.200 -0.020 0.000 2.118 229 E HA -0.175 4.175 4.350 0.000 0.000 0.195 229 E C 0.963 177.436 176.600 -0.213 0.000 0.992 229 E CA 1.063 57.387 56.400 -0.127 0.000 0.804 229 E CB -0.129 29.466 29.700 -0.174 0.000 0.741 229 E HN 0.489 nan 8.360 nan 0.000 0.458 230 Y N 0.566 120.904 120.300 0.063 0.000 2.756 230 Y HA 0.190 4.740 4.550 0.000 0.000 0.300 230 Y C 0.393 176.358 175.900 0.109 0.000 1.113 230 Y CA -0.316 57.859 58.100 0.124 0.000 1.291 230 Y CB 0.301 38.927 38.460 0.275 0.000 1.175 230 Y HN -0.343 nan 8.280 nan 0.000 0.534 231 K N 0.541 121.033 120.400 0.153 0.000 2.447 231 K HA 0.163 4.484 4.320 0.000 0.000 0.281 231 K C 1.073 177.736 176.600 0.105 0.000 1.031 231 K CA 0.956 57.317 56.287 0.124 0.000 1.019 231 K CB 0.429 32.970 32.500 0.069 0.000 0.918 231 K HN 0.659 nan 8.250 nan 0.000 0.476 232 G N 2.950 111.814 108.800 0.107 0.000 2.153 232 G HA2 -0.308 3.652 3.960 0.000 0.000 0.252 232 G HA3 -0.308 3.652 3.960 0.000 0.000 0.252 232 G C 0.551 175.508 174.900 0.095 0.000 0.994 232 G CA 0.734 45.884 45.100 0.083 0.000 0.698 232 G HN 0.724 nan 8.290 nan 0.000 0.521 233 Q N -1.597 118.288 119.800 0.140 0.000 2.527 233 Q HA 0.293 4.633 4.340 0.000 0.000 0.252 233 Q C 1.213 177.294 176.000 0.135 0.000 0.827 233 Q CA 0.230 56.125 55.803 0.153 0.000 0.979 233 Q CB 0.914 29.784 28.738 0.221 0.000 1.248 233 Q HN 0.513 nan 8.270 nan 0.000 0.578 234 R N 0.318 120.906 120.500 0.147 0.000 2.739 234 R HA 0.396 4.736 4.340 0.000 0.000 0.271 234 R C -1.653 174.647 176.300 0.000 0.000 1.010 234 R CA -0.763 55.327 56.100 -0.017 0.000 0.897 234 R CB 1.638 31.732 30.300 -0.343 0.000 1.236 234 R HN -0.044 nan 8.270 nan 0.000 0.466 235 D N 1.271 121.591 120.400 -0.134 0.000 2.192 235 D HA 0.407 5.047 4.640 0.000 0.000 0.246 235 D C -0.790 175.325 176.300 -0.308 0.000 1.042 235 D CA 0.007 53.968 54.000 -0.065 0.000 0.847 235 D CB 1.390 42.173 40.800 -0.028 0.000 1.186 235 D HN 0.138 nan 8.370 nan 0.000 0.461 236 F N 0.786 120.734 119.950 -0.002 0.000 2.522 236 F HA 0.379 4.906 4.527 0.000 0.000 0.324 236 F C 0.648 176.457 175.800 0.016 0.000 1.077 236 F CA -0.596 57.396 58.000 -0.013 0.000 0.944 236 F CB 1.888 40.874 39.000 -0.023 0.000 1.175 236 F HN 0.224 nan 8.300 nan 0.000 0.468 237 Q N 0.121 120.026 119.800 0.176 0.000 2.737 237 Q HA 0.344 4.684 4.340 0.000 0.000 0.307 237 Q C -1.623 174.482 176.000 0.175 0.000 0.905 237 Q CA -1.288 54.605 55.803 0.151 0.000 0.753 237 Q CB 1.750 30.542 28.738 0.091 0.000 1.463 237 Q HN 0.616 nan 8.270 nan 0.000 0.455 238 Q N 0.839 120.762 119.800 0.205 0.000 2.352 238 Q HA 0.278 4.618 4.340 0.000 0.000 0.260 238 Q C -0.545 175.522 176.000 0.113 0.000 0.976 238 Q CA -0.316 55.623 55.803 0.226 0.000 0.881 238 Q CB 0.588 29.431 28.738 0.176 0.000 1.235 238 Q HN 0.580 nan 8.270 nan 0.000 0.419 239 I N 6.357 126.972 120.570 0.077 0.000 2.821 239 I HA -0.068 4.102 4.170 0.000 0.000 0.294 239 I C -1.958 174.176 176.117 0.029 0.000 1.210 239 I CA -1.276 60.045 61.300 0.034 0.000 1.430 239 I CB 0.116 38.105 38.000 -0.019 0.000 1.356 239 I HN 0.450 nan 8.210 nan 0.000 0.563 240 P HA 0.198 nan 4.420 nan 0.000 0.270 240 P C -0.892 176.400 177.300 -0.013 0.000 1.242 240 P CA 0.206 63.309 63.100 0.004 0.000 0.768 240 P CB 0.363 32.052 31.700 -0.018 0.000 0.820 241 L N 2.554 123.780 121.223 0.006 0.000 2.362 241 L HA 0.623 4.963 4.340 0.000 0.000 0.275 241 L C 0.424 177.285 176.870 -0.014 0.000 0.998 241 L CA -1.160 53.679 54.840 -0.001 0.000 0.820 241 L CB 2.045 44.168 42.059 0.108 0.000 1.270 241 L HN 0.239 nan 8.230 nan 0.000 0.415 242 A N 3.284 126.054 122.820 -0.083 0.000 2.671 242 A HA 0.753 5.073 4.320 0.000 0.000 0.306 242 A C 0.062 177.660 177.584 0.023 0.000 1.473 242 A CA 0.129 52.156 52.037 -0.015 0.000 1.155 242 A CB -0.331 18.589 19.000 -0.134 0.000 1.123 242 A HN 0.818 nan 8.150 nan 0.000 0.545 243 A N 1.911 124.719 122.820 -0.021 0.000 2.590 243 A HA 0.717 5.037 4.320 0.000 0.000 0.294 243 A C -0.527 176.942 177.584 -0.192 0.000 1.046 243 A CA -0.471 51.453 52.037 -0.188 0.000 0.684 243 A CB 0.648 19.358 19.000 -0.484 0.000 1.279 243 A HN 0.686 nan 8.150 nan 0.000 0.415 244 T N 1.389 115.796 114.554 -0.245 0.000 2.881 244 T HA 0.492 4.842 4.350 0.000 0.000 0.291 244 T C -0.082 174.461 174.700 -0.262 0.000 0.990 244 T CA -0.442 61.542 62.100 -0.193 0.000 0.976 244 T CB 1.245 70.059 68.868 -0.090 0.000 0.970 244 T HN 0.737 nan 8.240 nan 0.000 0.438 245 R N 2.401 122.736 120.500 -0.276 0.000 2.401 245 R HA 0.236 4.577 4.340 0.000 0.000 0.299 245 R C 0.737 176.950 176.300 -0.145 0.000 1.064 245 R CA -0.343 55.587 56.100 -0.284 0.000 1.000 245 R CB 0.372 30.466 30.300 -0.343 0.000 0.973 245 R HN 0.399 nan 8.270 nan 0.000 0.438 246 R N 1.164 121.633 120.500 -0.052 0.000 2.254 246 R HA 0.127 4.467 4.340 0.000 0.000 0.193 246 R C 0.197 176.486 176.300 -0.018 0.000 0.929 246 R CA 0.660 56.762 56.100 0.004 0.000 1.038 246 R CB 0.348 30.710 30.300 0.102 0.000 1.009 246 R HN 0.768 nan 8.270 nan 0.000 0.512 247 S N -1.500 114.193 115.700 -0.012 0.000 2.636 247 S HA 0.367 4.837 4.470 0.000 0.000 0.268 247 S C -2.627 171.939 174.600 -0.056 0.000 1.159 247 S CA -1.035 57.149 58.200 -0.028 0.000 0.815 247 S CB 2.055 65.257 63.200 0.004 0.000 1.130 247 S HN -0.263 nan 8.310 nan 0.000 0.471 248 P HA 0.019 nan 4.420 nan 0.000 0.223 248 P C 0.984 178.255 177.300 -0.049 0.000 1.144 248 P CA 1.761 64.817 63.100 -0.072 0.000 0.783 248 P CB -0.175 31.501 31.700 -0.040 0.000 0.771 249 T N -6.988 107.570 114.554 0.007 0.000 3.091 249 T HA 0.288 4.639 4.350 0.000 0.000 0.277 249 T C -0.233 174.533 174.700 0.110 0.000 0.996 249 T CA -0.356 61.772 62.100 0.047 0.000 0.897 249 T CB -0.538 68.374 68.868 0.074 0.000 1.109 249 T HN -0.123 nan 8.240 nan 0.000 0.534 250 F N 1.533 121.425 119.950 -0.098 0.000 2.557 250 F HA 0.665 5.192 4.527 0.000 0.000 0.316 250 F C -1.588 174.084 175.800 -0.215 0.000 1.141 250 F CA -1.071 56.866 58.000 -0.106 0.000 0.922 250 F CB 2.019 40.974 39.000 -0.074 0.000 1.194 250 F HN -0.110 nan 8.300 nan 0.000 0.443 251 V N 5.249 124.733 119.914 -0.716 0.000 2.409 251 V HA 0.274 4.394 4.120 0.000 0.000 0.291 251 V C -0.382 175.076 176.094 -1.060 0.000 1.020 251 V CA -0.845 60.957 62.300 -0.830 0.000 0.848 251 V CB 1.658 32.813 31.823 -1.112 0.000 0.990 251 V HN 0.726 nan 8.190 nan 0.000 0.430 252 E N 4.619 124.493 120.200 -0.543 0.000 1.941 252 E HA 0.140 4.490 4.350 0.000 0.000 0.275 252 E C -1.040 175.327 176.600 -0.388 0.000 1.113 252 E CA -0.561 55.680 56.400 -0.265 0.000 0.878 252 E CB 0.403 30.137 29.700 0.056 0.000 1.070 252 E HN 0.631 nan 8.360 nan 0.000 0.399 253 W N 2.893 124.058 121.300 -0.224 0.000 2.216 253 W HA 0.089 4.749 4.660 0.000 0.000 0.326 253 W C 0.692 177.208 176.519 -0.005 0.000 1.319 253 W CA -0.484 56.704 57.345 -0.262 0.000 1.213 253 W CB 0.758 29.793 29.460 -0.709 0.000 1.171 253 W HN 0.308 nan 8.180 nan 0.000 0.557 254 S N 1.715 117.602 115.700 0.311 0.000 2.614 254 S HA 0.608 5.078 4.470 0.000 0.000 0.265 254 S C 0.192 175.218 174.600 0.710 0.000 1.303 254 S CA -0.554 57.907 58.200 0.435 0.000 1.000 254 S CB 1.143 64.605 63.200 0.437 0.000 0.935 254 S HN 0.523 nan 8.310 nan 0.000 0.551 255 S N -0.348 115.719 115.700 0.612 0.000 2.724 255 S HA 0.684 5.154 4.470 0.000 0.000 0.278 255 S C 0.797 175.603 174.600 0.344 0.000 1.190 255 S CA -0.318 58.188 58.200 0.510 0.000 0.860 255 S CB 0.497 63.922 63.200 0.375 0.000 1.206 255 S HN 0.715 nan 8.310 nan 0.000 0.507 256 A N 1.589 124.504 122.820 0.157 0.000 1.917 256 A HA -0.189 4.131 4.320 0.000 0.000 0.219 256 A C 2.009 179.640 177.584 0.079 0.000 1.182 256 A CA 2.168 54.250 52.037 0.075 0.000 0.633 256 A CB -1.585 17.426 19.000 0.018 0.000 0.819 256 A HN 0.862 nan 8.150 nan 0.000 0.448 257 N N -0.537 118.219 118.700 0.093 0.000 2.137 257 N HA -0.165 4.575 4.740 0.000 0.000 0.190 257 N C 1.538 177.075 175.510 0.045 0.000 1.017 257 N CA 2.081 55.160 53.050 0.049 0.000 0.859 257 N CB -0.224 38.305 38.487 0.070 0.000 1.002 257 N HN 0.485 nan 8.380 nan 0.000 0.428 258 T N 0.422 115.052 114.554 0.126 0.000 2.746 258 T HA -0.054 4.296 4.350 0.000 0.000 0.267 258 T C 2.085 176.821 174.700 0.061 0.000 1.039 258 T CA 1.091 63.270 62.100 0.132 0.000 1.142 258 T CB -0.208 68.818 68.868 0.263 0.000 0.866 258 T HN 0.050 nan 8.240 nan 0.000 0.444 259 V N -0.403 119.528 119.914 0.029 0.000 2.323 259 V HA 0.145 4.265 4.120 0.000 0.000 0.244 259 V C 0.515 176.558 176.094 -0.086 0.000 1.041 259 V CA 1.001 63.233 62.300 -0.113 0.000 1.025 259 V CB -0.328 31.380 31.823 -0.192 0.000 0.656 259 V HN 0.480 nan 8.190 nan 0.000 0.451 260 F N 0.862 120.678 119.950 -0.223 0.000 2.605 260 F HA 0.383 4.910 4.527 0.000 0.000 0.320 260 F C 0.308 175.984 175.800 -0.206 0.000 1.159 260 F CA -1.659 56.181 58.000 -0.266 0.000 0.999 260 F CB 1.438 40.226 39.000 -0.352 0.000 1.258 260 F HN 0.160 nan 8.300 nan 0.000 0.464 261 D N 4.702 124.651 120.400 -0.752 0.000 2.348 261 D HA -0.083 4.557 4.640 0.000 0.000 0.216 261 D C 1.212 177.226 176.300 -0.475 0.000 0.970 261 D CA 1.245 54.953 54.000 -0.486 0.000 0.889 261 D CB -0.036 40.536 40.800 -0.380 0.000 0.912 261 D HN 0.695 nan 8.370 nan 0.000 0.524 262 L N -2.011 118.733 121.223 -0.799 0.000 4.696 262 L HA -0.231 4.110 4.340 0.000 0.000 0.425 262 L C -0.232 176.575 176.870 -0.105 0.000 1.115 262 L CA 0.424 55.067 54.840 -0.327 0.000 0.996 262 L CB -1.357 40.688 42.059 -0.022 0.000 2.077 262 L HN 0.211 nan 8.230 nan 0.000 0.792 263 Q N 0.953 120.593 119.800 -0.267 0.000 2.327 263 Q HA 0.243 4.583 4.340 0.000 0.000 0.254 263 Q C 0.353 176.400 176.000 0.080 0.000 0.952 263 Q CA -0.107 55.642 55.803 -0.090 0.000 0.884 263 Q CB 0.672 29.328 28.738 -0.137 0.000 1.224 263 Q HN 0.127 nan 8.270 nan 0.000 0.422 264 N N 1.947 120.697 118.700 0.083 0.000 2.492 264 N HA 0.105 4.845 4.740 0.000 0.000 0.260 264 N C -0.252 175.310 175.510 0.086 0.000 1.215 264 N CA 0.332 53.438 53.050 0.095 0.000 0.923 264 N CB 0.626 39.070 38.487 -0.071 0.000 1.092 264 N HN 0.253 nan 8.380 nan 0.000 0.448 265 R N 1.300 121.877 120.500 0.128 0.000 2.807 265 R HA 0.506 4.846 4.340 0.000 0.000 0.276 265 R C -2.437 173.881 176.300 0.029 0.000 0.979 265 R CA -1.696 54.454 56.100 0.083 0.000 0.928 265 R CB 1.419 31.794 30.300 0.125 0.000 1.191 265 R HN 0.350 nan 8.270 nan 0.000 0.471 266 P HA 0.068 nan 4.420 nan 0.000 0.268 266 P C -1.285 176.049 177.300 0.057 0.000 1.205 266 P CA -0.182 62.962 63.100 0.073 0.000 0.771 266 P CB 0.562 32.360 31.700 0.163 0.000 0.858 267 N N -1.009 117.719 118.700 0.047 0.000 2.902 267 N HA 0.280 5.020 4.740 0.000 0.000 0.268 267 N C 0.491 176.015 175.510 0.023 0.000 1.450 267 N CA -0.790 52.275 53.050 0.025 0.000 0.819 267 N CB -0.474 38.013 38.487 0.001 0.000 1.540 267 N HN 0.024 nan 8.380 nan 0.000 0.545 268 T N -0.704 113.857 114.554 0.011 0.000 2.759 268 T HA -0.123 4.227 4.350 0.000 0.000 0.269 268 T C 0.356 175.059 174.700 0.006 0.000 1.042 268 T CA 1.702 63.807 62.100 0.009 0.000 1.140 268 T CB -0.456 68.413 68.868 0.001 0.000 0.864 268 T HN 0.551 nan 8.240 nan 0.000 0.455 269 D N 0.993 121.390 120.400 -0.004 0.000 2.289 269 D HA 0.187 4.827 4.640 0.000 0.000 0.207 269 D C 0.876 177.176 176.300 -0.001 0.000 0.966 269 D CA 0.448 54.442 54.000 -0.010 0.000 0.868 269 D CB 0.255 41.038 40.800 -0.028 0.000 0.943 269 D HN 0.378 nan 8.370 nan 0.000 0.514 270 A N 1.798 124.624 122.820 0.011 0.000 3.216 270 A HA 0.302 4.622 4.320 0.000 0.000 0.321 270 A C -1.952 175.669 177.584 0.062 0.000 1.042 270 A CA -0.909 51.146 52.037 0.030 0.000 0.838 270 A CB 0.972 19.984 19.000 0.021 0.000 1.136 270 A HN -0.155 nan 8.150 nan 0.000 0.483 271 P HA -0.076 nan 4.420 nan 0.000 0.226 271 P C 0.392 177.817 177.300 0.209 0.000 1.153 271 P CA 1.123 64.288 63.100 0.108 0.000 0.777 271 P CB 0.496 32.238 31.700 0.069 0.000 0.794 272 E N -0.255 120.065 120.200 0.201 0.000 2.498 272 E HA 0.153 4.503 4.350 0.000 0.000 0.203 272 E C 0.295 177.021 176.600 0.210 0.000 1.013 272 E CA 0.073 56.669 56.400 0.325 0.000 0.927 272 E CB 0.597 30.418 29.700 0.201 0.000 1.012 272 E HN 0.490 nan 8.360 nan 0.000 0.482 273 E N 0.999 121.255 120.200 0.094 0.000 2.250 273 E HA 0.439 4.789 4.350 0.000 0.000 0.269 273 E C -0.240 176.314 176.600 -0.077 0.000 1.018 273 E CA -0.489 55.920 56.400 0.015 0.000 0.873 273 E CB 1.425 31.164 29.700 0.066 0.000 1.134 273 E HN -0.168 nan 8.360 nan 0.000 0.403 274 R N 1.946 122.399 120.500 -0.078 0.000 2.483 274 R HA 0.439 4.779 4.340 0.000 0.000 0.303 274 R C -1.542 174.819 176.300 0.103 0.000 0.987 274 R CA -0.569 55.471 56.100 -0.101 0.000 0.881 274 R CB 1.049 31.183 30.300 -0.277 0.000 1.177 274 R HN 0.393 nan 8.270 nan 0.000 0.451 275 F N 2.334 122.251 119.950 -0.055 0.000 2.605 275 F HA 0.415 4.942 4.527 0.000 0.000 0.320 275 F C -1.672 174.059 175.800 -0.115 0.000 1.159 275 F CA -0.677 57.295 58.000 -0.046 0.000 0.999 275 F CB 1.898 40.946 39.000 0.079 0.000 1.258 275 F HN 0.396 nan 8.300 nan 0.000 0.464 276 N N 4.857 122.913 118.700 -1.073 0.000 2.314 276 N HA 0.602 5.342 4.740 0.000 0.000 0.294 276 N C -1.960 172.513 175.510 -1.728 0.000 1.029 276 N CA -0.652 51.676 53.050 -1.203 0.000 0.845 276 N CB 2.353 40.332 38.487 -0.848 0.000 1.321 276 N HN 0.574 nan 8.380 nan 0.000 0.481 277 L N 2.590 123.014 121.223 -1.332 0.000 2.282 277 L HA 0.615 4.955 4.340 0.000 0.000 0.288 277 L C -1.632 174.651 176.870 -0.978 0.000 1.033 277 L CA -0.286 54.019 54.840 -0.892 0.000 0.807 277 L CB 0.113 42.022 42.059 -0.251 0.000 1.209 277 L HN 0.468 nan 8.230 nan 0.000 0.423 278 F N 6.597 126.283 119.950 -0.439 0.000 2.359 278 F HA 0.525 5.052 4.527 0.000 0.000 0.370 278 F C -2.102 173.638 175.800 -0.101 0.000 1.077 278 F CA -2.126 55.716 58.000 -0.263 0.000 1.136 278 F CB 0.511 39.322 39.000 -0.314 0.000 1.387 278 F HN 0.413 nan 8.300 nan 0.000 0.468 279 P HA 0.278 nan 4.420 nan 0.000 0.274 279 P C 0.139 177.493 177.300 0.089 0.000 1.246 279 P CA -0.128 63.007 63.100 0.059 0.000 0.795 279 P CB 1.045 32.760 31.700 0.025 0.000 1.006 280 A N -0.794 122.064 122.820 0.064 0.000 2.822 280 A HA -0.116 4.204 4.320 0.000 0.000 0.287 280 A C 0.010 177.624 177.584 0.050 0.000 1.479 280 A CA 0.774 52.842 52.037 0.052 0.000 0.779 280 A CB -2.448 16.581 19.000 0.050 0.000 1.022 280 A HN 0.267 nan 8.150 nan 0.000 0.532 281 V N -0.090 119.872 119.914 0.080 0.000 2.350 281 V HA 0.636 4.756 4.120 0.000 0.000 0.285 281 V C 0.699 176.802 176.094 0.014 0.000 1.014 281 V CA -0.302 62.045 62.300 0.078 0.000 0.831 281 V CB 1.328 33.294 31.823 0.238 0.000 1.000 281 V HN 1.427 nan 8.190 nan 0.000 0.433 282 A N 4.461 127.259 122.820 -0.036 0.000 2.438 282 A HA 0.346 4.666 4.320 0.000 0.000 0.280 282 A C 0.300 177.857 177.584 -0.045 0.000 1.160 282 A CA -0.129 51.874 52.037 -0.056 0.000 0.821 282 A CB -0.362 18.650 19.000 0.020 0.000 1.101 282 A HN 0.872 nan 8.150 nan 0.000 0.515 283 C N 3.087 122.340 119.300 -0.080 0.000 2.482 283 C HA 0.300 4.760 4.460 0.000 0.000 0.378 283 C C 1.369 176.331 174.990 -0.047 0.000 1.284 283 C CA -0.238 58.723 59.018 -0.095 0.000 1.826 283 C CB -0.595 27.083 27.740 -0.103 0.000 2.473 283 C HN 0.996 nan 8.230 nan 0.000 0.562 284 E N 0.881 121.089 120.200 0.014 0.000 2.332 284 E HA 0.139 4.489 4.350 0.000 0.000 0.202 284 E C 0.165 176.773 176.600 0.013 0.000 0.877 284 E CA 0.339 56.767 56.400 0.048 0.000 0.979 284 E CB 0.517 30.316 29.700 0.164 0.000 0.969 284 E HN 0.642 nan 8.360 nan 0.000 0.495 285 R N 0.586 121.105 120.500 0.031 0.000 2.594 285 R HA 0.293 4.633 4.340 0.000 0.000 0.265 285 R C -1.159 175.134 176.300 -0.012 0.000 1.070 285 R CA -0.572 55.524 56.100 -0.007 0.000 0.909 285 R CB 2.305 32.584 30.300 -0.035 0.000 1.243 285 R HN -0.095 nan 8.270 nan 0.000 0.455 286 V N -0.434 119.455 119.914 -0.042 0.000 2.481 286 V HA 0.594 4.714 4.120 0.000 0.000 0.286 286 V C 0.032 176.083 176.094 -0.072 0.000 1.042 286 V CA -0.792 61.450 62.300 -0.097 0.000 0.928 286 V CB 1.701 33.432 31.823 -0.153 0.000 0.986 286 V HN 0.415 nan 8.190 nan 0.000 0.462 287 V N 5.602 125.455 119.914 -0.103 0.000 2.364 287 V HA 0.442 4.562 4.120 0.000 0.000 0.272 287 V C 0.626 176.694 176.094 -0.043 0.000 1.036 287 V CA -0.440 61.822 62.300 -0.063 0.000 0.880 287 V CB 0.805 32.602 31.823 -0.042 0.000 0.991 287 V HN 0.926 nan 8.190 nan 0.000 0.460 288 R N 3.915 124.408 120.500 -0.012 0.000 2.441 288 R HA 0.280 4.620 4.340 0.000 0.000 0.284 288 R C 0.391 176.714 176.300 0.038 0.000 1.070 288 R CA -0.569 55.579 56.100 0.081 0.000 1.047 288 R CB 0.649 30.976 30.300 0.045 0.000 1.016 288 R HN 0.868 nan 8.270 nan 0.000 0.477 289 N N 1.708 120.437 118.700 0.049 0.000 2.326 289 N HA -0.044 4.696 4.740 0.000 0.000 0.239 289 N C 0.581 176.075 175.510 -0.028 0.000 1.301 289 N CA 0.273 53.323 53.050 -0.001 0.000 0.909 289 N CB 0.457 38.938 38.487 -0.011 0.000 1.156 289 N HN 0.582 nan 8.380 nan 0.000 0.462 290 A N 0.556 123.356 122.820 -0.034 0.000 1.972 290 A HA -0.060 4.260 4.320 0.000 0.000 0.219 290 A C 2.191 179.739 177.584 -0.061 0.000 1.169 290 A CA 0.914 52.926 52.037 -0.042 0.000 0.635 290 A CB -0.775 18.205 19.000 -0.032 0.000 0.810 290 A HN 0.659 nan 8.150 nan 0.000 0.446 291 L N -0.766 120.410 121.223 -0.079 0.000 2.552 291 L HA -0.042 4.298 4.340 0.000 0.000 0.227 291 L C 0.044 176.803 176.870 -0.184 0.000 1.146 291 L CA 0.019 54.794 54.840 -0.108 0.000 0.858 291 L CB -0.472 41.525 42.059 -0.103 0.000 0.969 291 L HN 0.405 nan 8.230 nan 0.000 0.451 292 N N 0.218 118.787 118.700 -0.219 0.000 2.725 292 N HA -0.186 4.554 4.740 0.000 0.000 0.251 292 N C 0.881 175.766 175.510 -1.041 0.000 1.031 292 N CA 1.053 53.846 53.050 -0.428 0.000 0.720 292 N CB -1.110 37.289 38.487 -0.146 0.000 0.930 292 N HN 0.543 nan 8.380 nan 0.000 0.543 293 S N -2.105 113.102 115.700 -0.822 0.000 2.687 293 S HA 0.260 4.730 4.470 0.000 0.000 0.247 293 S C 0.239 174.583 174.600 -0.427 0.000 1.050 293 S CA -0.213 57.596 58.200 -0.652 0.000 1.063 293 S CB 1.575 64.611 63.200 -0.273 0.000 1.039 293 S HN 0.373 nan 8.310 nan 0.000 0.580 294 E N 0.315 120.359 120.200 -0.260 0.000 2.363 294 E HA 0.414 4.764 4.350 0.000 0.000 0.281 294 E C -1.735 175.026 176.600 0.268 0.000 0.953 294 E CA -0.797 55.677 56.400 0.123 0.000 0.778 294 E CB 1.352 31.100 29.700 0.080 0.000 1.220 294 E HN 0.105 nan 8.360 nan 0.000 0.431 295 I N 3.421 124.130 120.570 0.233 0.000 2.396 295 I HA 0.138 4.308 4.170 0.000 0.000 0.292 295 I C 0.923 176.971 176.117 -0.115 0.000 0.999 295 I CA 0.105 61.373 61.300 -0.053 0.000 1.310 295 I CB 1.312 39.045 38.000 -0.444 0.000 1.404 295 I HN 0.682 nan 8.210 nan 0.000 0.496 296 E N 3.075 123.208 120.200 -0.111 0.000 2.413 296 E HA 0.107 4.457 4.350 0.000 0.000 0.203 296 E C 0.135 176.766 176.600 0.052 0.000 0.957 296 E CA 0.331 56.740 56.400 0.014 0.000 0.950 296 E CB 0.610 30.326 29.700 0.028 0.000 0.957 296 E HN 0.717 nan 8.360 nan 0.000 0.497 297 S N -0.356 115.297 115.700 -0.078 0.000 2.636 297 S HA 0.473 4.943 4.470 0.000 0.000 0.266 297 S C -1.496 173.085 174.600 -0.032 0.000 1.147 297 S CA -1.062 57.184 58.200 0.076 0.000 0.815 297 S CB 1.283 64.545 63.200 0.103 0.000 1.119 297 S HN 0.015 nan 8.310 nan 0.000 0.470 298 L N 1.890 123.197 121.223 0.141 0.000 2.305 298 L HA 0.652 4.992 4.340 0.000 0.000 0.284 298 L C -0.689 176.189 176.870 0.014 0.000 1.013 298 L CA -0.178 54.695 54.840 0.054 0.000 0.819 298 L CB 1.011 43.124 42.059 0.090 0.000 1.227 298 L HN 0.995 nan 8.230 nan 0.000 0.417 299 H N 5.470 124.500 119.070 -0.067 0.000 2.668 299 H HA 0.569 5.125 4.556 0.000 0.000 0.303 299 H C -0.401 174.875 175.328 -0.087 0.000 1.074 299 H CA -0.231 55.782 56.048 -0.059 0.000 1.406 299 H CB 0.603 30.334 29.762 -0.051 0.000 1.442 299 H HN 0.675 nan 8.280 nan 0.000 0.482 300 I N 1.815 122.087 120.570 -0.498 0.000 2.797 300 I HA 0.419 4.589 4.170 0.000 0.000 0.307 300 I C -1.082 174.878 176.117 -0.262 0.000 1.033 300 I CA -1.003 60.091 61.300 -0.343 0.000 1.071 300 I CB 2.398 40.158 38.000 -0.400 0.000 1.255 300 I HN 0.669 nan 8.210 nan 0.000 0.445 301 H N 3.343 122.309 119.070 -0.174 0.000 2.860 301 H HA 0.211 4.767 4.556 0.000 0.000 0.312 301 H C -1.385 173.947 175.328 0.007 0.000 0.995 301 H CA -0.710 55.289 56.048 -0.081 0.000 1.311 301 H CB 1.321 31.073 29.762 -0.017 0.000 1.478 301 H HN 0.760 nan 8.280 nan 0.000 0.508 302 D N 5.678 126.094 120.400 0.026 0.000 2.346 302 D HA -0.016 4.624 4.640 0.000 0.000 0.260 302 D C 1.176 177.332 176.300 -0.239 0.000 1.252 302 D CA 0.002 53.991 54.000 -0.019 0.000 0.895 302 D CB 0.903 41.798 40.800 0.160 0.000 1.097 302 D HN 0.687 nan 8.370 nan 0.000 0.489 303 L N 4.181 125.261 121.223 -0.240 0.000 2.376 303 L HA -0.121 4.219 4.340 0.000 0.000 0.219 303 L C 1.814 178.629 176.870 -0.092 0.000 1.133 303 L CA 0.155 54.844 54.840 -0.252 0.000 0.816 303 L CB -0.076 41.926 42.059 -0.095 0.000 0.933 303 L HN 0.503 nan 8.230 nan 0.000 0.449 304 I N -0.549 120.003 120.570 -0.029 0.000 2.364 304 I HA -0.129 4.041 4.170 0.000 0.000 0.241 304 I C 2.759 178.891 176.117 0.024 0.000 1.082 304 I CA 1.591 62.898 61.300 0.012 0.000 1.401 304 I CB -1.323 36.698 38.000 0.035 0.000 1.126 304 I HN 0.236 nan 8.210 nan 0.000 0.429 305 S N 0.691 116.417 115.700 0.043 0.000 2.428 305 S HA 0.027 4.497 4.470 0.000 0.000 0.230 305 S C 1.884 176.516 174.600 0.053 0.000 1.014 305 S CA 0.969 59.203 58.200 0.058 0.000 0.957 305 S CB -0.378 62.879 63.200 0.095 0.000 0.784 305 S HN 0.655 nan 8.310 nan 0.000 0.499 306 G N 0.963 109.794 108.800 0.052 0.000 2.179 306 G HA2 -0.216 3.744 3.960 0.000 0.000 0.260 306 G HA3 -0.216 3.744 3.960 0.000 0.000 0.260 306 G C -0.383 174.613 174.900 0.160 0.000 0.977 306 G CA 0.222 45.408 45.100 0.142 0.000 0.641 306 G HN 0.576 nan 8.290 nan 0.000 0.533 307 D N 0.648 121.078 120.400 0.050 0.000 2.341 307 D HA 0.485 5.125 4.640 0.000 0.000 0.245 307 D C 0.999 177.162 176.300 -0.228 0.000 1.106 307 D CA 0.144 54.045 54.000 -0.164 0.000 0.905 307 D CB 0.586 41.203 40.800 -0.305 0.000 1.202 307 D HN 0.400 nan 8.370 nan 0.000 0.426 308 R N 1.334 121.575 120.500 -0.431 0.000 2.604 308 R HA 0.636 4.976 4.340 0.000 0.000 0.287 308 R C -0.632 175.239 176.300 -0.715 0.000 0.970 308 R CA -0.629 55.222 56.100 -0.416 0.000 0.946 308 R CB 1.191 31.358 30.300 -0.222 0.000 1.127 308 R HN 0.303 nan 8.270 nan 0.000 0.473 309 F N -0.264 119.531 119.950 -0.257 0.000 2.643 309 F HA 0.326 4.853 4.527 0.000 0.000 0.314 309 F C 0.001 175.676 175.800 -0.208 0.000 1.096 309 F CA -1.001 56.893 58.000 -0.177 0.000 0.953 309 F CB 1.827 40.735 39.000 -0.154 0.000 1.345 309 F HN 0.175 nan 8.300 nan 0.000 0.468 310 E N 2.474 122.765 120.200 0.151 0.000 2.145 310 E HA 0.414 4.764 4.350 0.000 0.000 0.270 310 E C -1.053 175.598 176.600 0.086 0.000 0.906 310 E CA -0.424 56.036 56.400 0.099 0.000 0.761 310 E CB 2.257 32.027 29.700 0.117 0.000 1.116 310 E HN 0.292 nan 8.360 nan 0.000 0.408 311 I N 2.602 123.200 120.570 0.047 0.000 2.377 311 I HA 0.278 4.448 4.170 0.000 0.000 0.293 311 I C 0.256 176.474 176.117 0.169 0.000 0.987 311 I CA -0.868 60.474 61.300 0.069 0.000 1.185 311 I CB 1.379 39.359 38.000 -0.033 0.000 1.341 311 I HN 0.254 nan 8.210 nan 0.000 0.455 312 K N 4.827 125.325 120.400 0.164 0.000 2.138 312 K HA 0.828 5.148 4.320 0.000 0.000 0.263 312 K C -1.059 175.605 176.600 0.107 0.000 0.965 312 K CA -0.318 56.081 56.287 0.186 0.000 0.868 312 K CB 1.757 34.331 32.500 0.123 0.000 1.083 312 K HN 0.802 nan 8.250 nan 0.000 0.443 313 A N 2.593 125.398 122.820 -0.026 0.000 2.594 313 A HA 0.377 4.697 4.320 0.000 0.000 0.291 313 A C -0.553 176.917 177.584 -0.190 0.000 1.105 313 A CA -0.673 51.221 52.037 -0.239 0.000 0.694 313 A CB 1.028 19.689 19.000 -0.564 0.000 1.291 313 A HN 0.770 nan 8.150 nan 0.000 0.410 314 D N -0.458 119.879 120.400 -0.105 0.000 2.183 314 D HA 0.099 4.739 4.640 0.000 0.000 0.203 314 D C 0.306 176.522 176.300 -0.140 0.000 0.969 314 D CA 1.653 55.662 54.000 0.015 0.000 0.842 314 D CB 0.198 41.073 40.800 0.125 0.000 0.957 314 D HN 0.221 nan 8.370 nan 0.000 0.484 315 V N 0.817 120.497 119.914 -0.391 0.000 2.638 315 V HA 0.264 4.384 4.120 0.000 0.000 0.306 315 V C -1.257 174.584 176.094 -0.422 0.000 1.052 315 V CA -0.895 61.172 62.300 -0.389 0.000 0.885 315 V CB 1.769 33.238 31.823 -0.590 0.000 0.999 315 V HN -0.074 nan 8.190 nan 0.000 0.424 316 Y N 3.015 123.298 120.300 -0.030 0.000 2.335 316 Y HA 0.714 5.264 4.550 0.000 0.000 0.338 316 Y C -0.075 175.784 175.900 -0.068 0.000 0.977 316 Y CA -0.963 57.109 58.100 -0.046 0.000 1.114 316 Y CB 2.093 40.532 38.460 -0.035 0.000 1.182 316 Y HN 0.358 nan 8.280 nan 0.000 0.463 317 V N 5.400 125.275 119.914 -0.064 0.000 2.444 317 V HA 0.398 4.518 4.120 0.000 0.000 0.294 317 V C -0.517 175.444 176.094 -0.222 0.000 1.022 317 V CA -0.948 61.196 62.300 -0.261 0.000 0.850 317 V CB 1.767 33.200 31.823 -0.651 0.000 0.992 317 V HN 0.595 nan 8.190 nan 0.000 0.426 318 L N 5.099 126.188 121.223 -0.222 0.000 2.277 318 L HA 0.541 4.881 4.340 0.000 0.000 0.284 318 L C 0.341 177.112 176.870 -0.166 0.000 1.028 318 L CA -0.184 54.550 54.840 -0.177 0.000 0.835 318 L CB 1.565 43.501 42.059 -0.205 0.000 1.215 318 L HN 0.823 nan 8.230 nan 0.000 0.425 319 T N -1.677 112.813 114.554 -0.106 0.000 3.516 319 T HA 0.367 4.717 4.350 0.000 0.000 0.245 319 T C 0.684 175.390 174.700 0.010 0.000 1.077 319 T CA -0.142 61.936 62.100 -0.036 0.000 1.222 319 T CB 1.009 69.857 68.868 -0.034 0.000 1.045 319 T HN 0.524 nan 8.240 nan 0.000 0.585 320 A N 0.757 123.593 122.820 0.026 0.000 2.345 320 A HA 0.778 5.099 4.320 0.000 0.000 0.225 320 A C 1.370 179.029 177.584 0.125 0.000 1.243 320 A CA 0.080 52.156 52.037 0.065 0.000 0.875 320 A CB -0.684 18.350 19.000 0.057 0.000 0.929 320 A HN 1.674 nan 8.150 nan 0.000 0.502 321 G N -2.529 106.340 108.800 0.114 0.000 2.663 321 G HA2 0.276 4.236 3.960 0.000 0.000 0.686 321 G HA3 0.276 4.236 3.960 0.000 0.000 0.686 321 G C 0.746 175.736 174.900 0.149 0.000 1.288 321 G CA -0.285 44.883 45.100 0.115 0.000 0.836 321 G HN 1.255 nan 8.290 nan 0.000 0.584 322 A N -0.559 122.332 122.820 0.118 0.000 1.933 322 A HA 0.208 4.528 4.320 0.000 0.000 0.218 322 A C 2.653 180.317 177.584 0.133 0.000 1.175 322 A CA 3.246 55.351 52.037 0.113 0.000 0.628 322 A CB -0.394 18.641 19.000 0.058 0.000 0.814 322 A HN 1.591 nan 8.150 nan 0.000 0.444 323 V N -0.899 119.049 119.914 0.057 0.000 2.302 323 V HA -0.211 3.909 4.120 0.000 0.000 0.243 323 V C 2.220 178.361 176.094 0.078 0.000 1.036 323 V CA 2.163 64.475 62.300 0.021 0.000 1.020 323 V CB -1.051 30.672 31.823 -0.167 0.000 0.657 323 V HN 0.742 nan 8.190 nan 0.000 0.453 324 H N -0.405 118.741 119.070 0.127 0.000 2.502 324 H HA -0.024 4.532 4.556 0.000 0.000 0.283 324 H C 2.270 177.599 175.328 0.001 0.000 1.015 324 H CA 0.829 56.909 56.048 0.054 0.000 1.298 324 H CB 0.135 29.908 29.762 0.019 0.000 1.411 324 H HN 0.322 nan 8.280 nan 0.000 0.556 325 N N -0.003 118.783 118.700 0.143 0.000 2.069 325 N HA -0.124 4.616 4.740 0.000 0.000 0.191 325 N C 1.799 177.298 175.510 -0.018 0.000 1.031 325 N CA 1.813 54.875 53.050 0.020 0.000 0.852 325 N CB -0.494 37.994 38.487 0.001 0.000 1.018 325 N HN 0.306 nan 8.380 nan 0.000 0.423 326 T N 0.768 115.389 114.554 0.111 0.000 2.746 326 T HA -0.177 4.173 4.350 0.000 0.000 0.267 326 T C 1.833 176.416 174.700 -0.195 0.000 1.039 326 T CA 1.157 63.318 62.100 0.103 0.000 1.142 326 T CB -0.237 68.838 68.868 0.345 0.000 0.866 326 T HN 0.359 nan 8.240 nan 0.000 0.444 327 Q N 0.184 119.797 119.800 -0.311 0.000 2.050 327 Q HA -0.107 4.233 4.340 0.000 0.000 0.202 327 Q C 2.344 178.083 176.000 -0.434 0.000 0.980 327 Q CA 1.045 56.356 55.803 -0.820 0.000 0.840 327 Q CB -0.250 28.320 28.738 -0.281 0.000 0.898 327 Q HN 0.344 nan 8.270 nan 0.000 0.424 328 L N 0.960 122.059 121.223 -0.207 0.000 2.012 328 L HA -0.184 4.156 4.340 0.000 0.000 0.210 328 L C 2.172 178.958 176.870 -0.140 0.000 1.073 328 L CA 1.630 56.380 54.840 -0.149 0.000 0.748 328 L CB -1.108 40.884 42.059 -0.111 0.000 0.891 328 L HN 0.403 nan 8.230 nan 0.000 0.431 329 L N -1.161 119.960 121.223 -0.171 0.000 2.012 329 L HA -0.230 4.110 4.340 0.000 0.000 0.210 329 L C 2.583 179.480 176.870 0.046 0.000 1.073 329 L CA 1.019 55.780 54.840 -0.131 0.000 0.748 329 L CB -0.699 41.165 42.059 -0.326 0.000 0.891 329 L HN 0.069 nan 8.230 nan 0.000 0.431 330 V N -0.074 119.791 119.914 -0.082 0.000 2.407 330 V HA -0.264 3.856 4.120 0.000 0.000 0.248 330 V C 2.099 178.165 176.094 -0.046 0.000 1.055 330 V CA 1.962 64.237 62.300 -0.042 0.000 1.049 330 V CB -0.705 31.043 31.823 -0.125 0.000 0.662 330 V HN 0.484 nan 8.190 nan 0.000 0.455 331 N N -0.035 118.597 118.700 -0.113 0.000 2.520 331 N HA -0.091 4.649 4.740 0.000 0.000 0.185 331 N C 1.581 177.069 175.510 -0.037 0.000 1.068 331 N CA 1.094 54.099 53.050 -0.075 0.000 0.911 331 N CB -0.026 38.404 38.487 -0.096 0.000 0.961 331 N HN 0.395 nan 8.380 nan 0.000 0.446 332 S N -1.678 114.028 115.700 0.010 0.000 2.556 332 S HA 0.323 4.793 4.470 0.000 0.000 0.216 332 S C 1.132 175.714 174.600 -0.029 0.000 0.970 332 S CA 0.297 58.513 58.200 0.027 0.000 0.912 332 S CB 0.647 63.924 63.200 0.130 0.000 0.790 332 S HN 0.536 nan 8.310 nan 0.000 0.504 333 G N 0.993 109.783 108.800 -0.017 0.000 2.179 333 G HA2 -0.210 3.750 3.960 0.000 0.000 0.220 333 G HA3 -0.210 3.750 3.960 0.000 0.000 0.220 333 G C -0.065 174.754 174.900 -0.136 0.000 0.990 333 G CA -0.650 44.392 45.100 -0.096 0.000 0.646 333 G HN 0.400 nan 8.290 nan 0.000 0.517 334 F N 1.079 121.004 119.950 -0.042 0.000 2.382 334 F HA 0.517 5.044 4.527 0.000 0.000 0.331 334 F C 1.659 177.469 175.800 0.016 0.000 1.121 334 F CA 1.179 59.167 58.000 -0.021 0.000 1.183 334 F CB 0.964 39.923 39.000 -0.068 0.000 1.207 334 F HN 0.775 nan 8.300 nan 0.000 0.555 335 G N 2.008 110.950 108.800 0.237 0.000 2.566 335 G HA2 -0.294 3.666 3.960 0.000 0.000 0.280 335 G HA3 -0.294 3.666 3.960 0.000 0.000 0.280 335 G C -0.718 174.259 174.900 0.127 0.000 1.225 335 G CA 0.213 45.419 45.100 0.178 0.000 0.966 335 G HN 0.854 nan 8.290 nan 0.000 0.560 336 Q N -1.129 118.753 119.800 0.137 0.000 2.289 336 Q HA 0.639 4.979 4.340 0.000 0.000 0.270 336 Q C -1.201 174.887 176.000 0.148 0.000 1.038 336 Q CA -0.990 54.876 55.803 0.105 0.000 0.812 336 Q CB 1.806 30.587 28.738 0.071 0.000 1.300 336 Q HN 0.882 nan 8.270 nan 0.000 0.427 337 L N 3.407 124.705 121.223 0.124 0.000 2.350 337 L HA 0.813 5.154 4.340 0.000 0.000 0.275 337 L C 0.332 177.298 176.870 0.160 0.000 1.099 337 L CA 1.793 56.735 54.840 0.171 0.000 0.808 337 L CB 1.174 43.305 42.059 0.119 0.000 1.149 337 L HN 0.864 nan 8.230 nan 0.000 0.442 338 G N 3.581 112.541 108.800 0.267 0.000 2.728 338 G HA2 -0.215 3.745 3.960 0.000 0.000 0.294 338 G HA3 -0.215 3.745 3.960 0.000 0.000 0.294 338 G C -0.519 174.305 174.900 -0.127 0.000 1.342 338 G CA -0.236 44.985 45.100 0.202 0.000 0.866 338 G HN 0.895 nan 8.290 nan 0.000 0.534 339 R N 0.855 121.035 120.500 -0.533 0.000 2.484 339 R HA 0.378 4.718 4.340 0.000 0.000 0.293 339 R C -1.853 174.008 176.300 -0.732 0.000 1.023 339 R CA -0.599 54.737 56.100 -1.273 0.000 1.037 339 R CB 0.029 29.843 30.300 -0.810 0.000 0.951 339 R HN 0.368 nan 8.270 nan 0.000 0.418 340 P HA 0.062 nan 4.420 nan 0.000 0.269 340 P C -1.233 175.916 177.300 -0.253 0.000 1.209 340 P CA -0.075 62.804 63.100 -0.368 0.000 0.776 340 P CB 0.565 32.086 31.700 -0.298 0.000 0.876 341 N N 2.230 120.840 118.700 -0.149 0.000 2.664 341 N HA 0.295 5.035 4.740 0.000 0.000 0.257 341 N C -2.062 173.408 175.510 -0.067 0.000 1.108 341 N CA -1.892 51.095 53.050 -0.106 0.000 0.822 341 N CB 0.688 39.122 38.487 -0.088 0.000 1.199 341 N HN 0.080 nan 8.380 nan 0.000 0.529 342 P HA -0.032 nan 4.420 nan 0.000 0.222 342 P C 0.413 177.697 177.300 -0.025 0.000 1.147 342 P CA 0.630 63.707 63.100 -0.038 0.000 0.790 342 P CB 0.258 31.934 31.700 -0.040 0.000 0.780 343 A N -0.838 121.964 122.820 -0.029 0.000 2.310 343 A HA 0.098 4.418 4.320 0.000 0.000 0.230 343 A C 0.722 178.295 177.584 -0.018 0.000 1.294 343 A CA 0.325 52.349 52.037 -0.021 0.000 0.898 343 A CB -1.257 17.730 19.000 -0.023 0.000 0.917 343 A HN 0.151 nan 8.150 nan 0.000 0.491 344 N N -0.303 118.386 118.700 -0.019 0.000 3.029 344 N HA 0.151 4.891 4.740 0.000 0.000 0.198 344 N C -3.492 172.014 175.510 -0.008 0.000 1.444 344 N CA -0.984 52.058 53.050 -0.013 0.000 0.784 344 N CB 1.029 39.505 38.487 -0.018 0.000 1.539 344 N HN -0.022 nan 8.380 nan 0.000 0.582 345 P HA 0.380 nan 4.420 nan 0.000 0.275 345 P C -2.516 174.798 177.300 0.024 0.000 1.228 345 P CA -0.827 62.282 63.100 0.015 0.000 0.786 345 P CB 0.129 31.843 31.700 0.024 0.000 0.927 346 P HA 0.074 nan 4.420 nan 0.000 0.272 346 P C 0.859 178.186 177.300 0.045 0.000 1.230 346 P CA -0.049 63.077 63.100 0.043 0.000 0.788 346 P CB 1.150 32.891 31.700 0.069 0.000 0.949 347 E N 0.453 120.673 120.200 0.034 0.000 2.047 347 E HA -0.052 4.298 4.350 0.000 0.000 0.191 347 E C 0.175 176.809 176.600 0.056 0.000 0.987 347 E CA 0.782 57.201 56.400 0.031 0.000 0.799 347 E CB 0.032 29.737 29.700 0.009 0.000 0.752 347 E HN 0.396 nan 8.360 nan 0.000 0.449 348 L N 1.547 122.812 121.223 0.070 0.000 2.295 348 L HA 0.248 4.588 4.340 0.000 0.000 0.285 348 L C 0.139 177.131 176.870 0.204 0.000 1.035 348 L CA -0.570 54.350 54.840 0.134 0.000 0.806 348 L CB 1.490 43.590 42.059 0.068 0.000 1.214 348 L HN 0.196 nan 8.230 nan 0.000 0.426 349 L N 4.353 125.718 121.223 0.236 0.000 3.823 349 L HA -0.191 4.149 4.340 0.000 0.000 0.525 349 L C -1.402 175.578 176.870 0.183 0.000 1.247 349 L CA -0.529 54.449 54.840 0.229 0.000 0.776 349 L CB -0.876 41.342 42.059 0.266 0.000 1.443 349 L HN 0.598 nan 8.230 nan 0.000 0.831 350 P HA -0.131 nan 4.420 nan 0.000 0.221 350 P C 1.236 178.631 177.300 0.158 0.000 1.145 350 P CA 1.156 64.332 63.100 0.127 0.000 0.795 350 P CB 0.316 32.073 31.700 0.095 0.000 0.775 351 S N -0.695 115.117 115.700 0.187 0.000 2.558 351 S HA 0.061 4.531 4.470 0.000 0.000 0.217 351 S C 0.856 175.611 174.600 0.259 0.000 0.975 351 S CA -0.421 57.935 58.200 0.260 0.000 0.912 351 S CB -0.679 62.666 63.200 0.241 0.000 0.776 351 S HN 0.069 nan 8.310 nan 0.000 0.526 352 L N 2.518 123.872 121.223 0.218 0.000 2.540 352 L HA 0.332 4.672 4.340 0.000 0.000 0.276 352 L C 1.205 178.214 176.870 0.232 0.000 1.212 352 L CA 1.149 56.120 54.840 0.218 0.000 0.893 352 L CB -0.482 41.693 42.059 0.194 0.000 1.138 352 L HN 0.362 nan 8.230 nan 0.000 0.491 353 G N 2.487 111.434 108.800 0.244 0.000 2.155 353 G HA2 -0.275 3.685 3.960 0.000 0.000 0.257 353 G HA3 -0.275 3.685 3.960 0.000 0.000 0.257 353 G C 0.430 175.450 174.900 0.200 0.000 0.983 353 G CA 0.436 45.678 45.100 0.237 0.000 0.676 353 G HN 0.837 nan 8.290 nan 0.000 0.528 354 S N -1.653 114.168 115.700 0.203 0.000 2.664 354 S HA 0.655 5.125 4.470 0.000 0.000 0.304 354 S C 0.390 175.121 174.600 0.218 0.000 1.099 354 S CA 0.067 58.322 58.200 0.091 0.000 1.003 354 S CB 0.974 64.146 63.200 -0.048 0.000 1.092 354 S HN 0.910 nan 8.310 nan 0.000 0.525 355 Y N -1.014 119.351 120.300 0.109 0.000 4.490 355 Y HA -0.208 4.342 4.550 0.000 0.000 0.233 355 Y C 0.521 176.499 175.900 0.130 0.000 1.101 355 Y CA 0.238 58.401 58.100 0.104 0.000 2.010 355 Y CB -2.246 36.271 38.460 0.095 0.000 1.622 355 Y HN 0.631 nan 8.280 nan 0.000 0.675 356 I N 0.214 120.926 120.570 0.237 0.000 2.692 356 I HA 0.422 4.592 4.170 0.000 0.000 0.284 356 I C 0.682 176.959 176.117 0.267 0.000 1.159 356 I CA 0.482 61.926 61.300 0.239 0.000 1.423 356 I CB 1.180 39.324 38.000 0.240 0.000 1.380 356 I HN 0.207 nan 8.210 nan 0.000 0.580 357 T N 2.033 116.707 114.554 0.201 0.000 2.863 357 T HA 0.673 5.023 4.350 0.000 0.000 0.285 357 T C -0.616 174.104 174.700 0.034 0.000 1.009 357 T CA -0.702 61.501 62.100 0.171 0.000 0.989 357 T CB 2.076 70.992 68.868 0.079 0.000 1.004 357 T HN 0.820 nan 8.240 nan 0.000 0.455 358 E N 1.214 121.409 120.200 -0.007 0.000 2.340 358 E HA 0.357 4.707 4.350 0.000 0.000 0.273 358 E C -1.010 175.673 176.600 0.139 0.000 0.891 358 E CA -0.594 55.748 56.400 -0.097 0.000 0.757 358 E CB 2.001 31.439 29.700 -0.436 0.000 1.231 358 E HN 0.704 nan 8.360 nan 0.000 0.439 359 Q N 1.102 120.984 119.800 0.137 0.000 2.340 359 Q HA 0.412 4.752 4.340 0.000 0.000 0.249 359 Q C -0.438 175.753 176.000 0.317 0.000 0.957 359 Q CA -0.315 55.623 55.803 0.225 0.000 0.882 359 Q CB 1.189 30.069 28.738 0.236 0.000 1.235 359 Q HN 0.477 nan 8.270 nan 0.000 0.439 360 S N 1.526 117.350 115.700 0.207 0.000 2.564 360 S HA 0.325 4.795 4.470 0.000 0.000 0.278 360 S C -0.689 173.959 174.600 0.080 0.000 1.333 360 S CA -0.480 57.730 58.200 0.016 0.000 1.048 360 S CB 0.393 63.523 63.200 -0.116 0.000 0.900 360 S HN 0.374 nan 8.310 nan 0.000 0.505 361 L N 4.632 125.875 121.223 0.032 0.000 2.409 361 L HA 0.710 5.050 4.340 0.000 0.000 0.272 361 L C -0.819 175.912 176.870 -0.233 0.000 0.980 361 L CA -0.653 54.110 54.840 -0.129 0.000 0.826 361 L CB 1.623 43.610 42.059 -0.119 0.000 1.268 361 L HN 0.472 nan 8.230 nan 0.000 0.407 362 V N 2.215 121.903 119.914 -0.377 0.000 2.715 362 V HA 0.752 4.872 4.120 0.000 0.000 0.310 362 V C -1.068 174.880 176.094 -0.244 0.000 1.054 362 V CA -0.632 61.365 62.300 -0.505 0.000 0.928 362 V CB 1.636 32.960 31.823 -0.831 0.000 1.007 362 V HN 0.799 nan 8.190 nan 0.000 0.437 363 F N 5.195 124.933 119.950 -0.354 0.000 2.591 363 F HA 0.869 5.396 4.527 0.000 0.000 0.309 363 F C -0.331 175.331 175.800 -0.231 0.000 1.098 363 F CA -0.243 57.626 58.000 -0.219 0.000 0.937 363 F CB 1.497 40.412 39.000 -0.143 0.000 1.250 363 F HN 1.189 nan 8.300 nan 0.000 0.447 364 C N 2.776 121.418 119.300 -1.096 0.000 3.336 364 C HA 0.824 5.284 4.460 0.000 0.000 0.339 364 C C -1.582 172.798 174.990 -1.017 0.000 1.468 364 C CA -0.715 57.619 59.018 -1.139 0.000 1.287 364 C CB 1.732 29.072 27.740 -0.666 0.000 1.682 364 C HN 0.937 nan 8.230 nan 0.000 0.451 365 Q N 0.544 120.013 119.800 -0.551 0.000 2.377 365 Q HA 0.741 5.081 4.340 0.000 0.000 0.271 365 Q C -0.548 175.471 176.000 0.031 0.000 1.077 365 Q CA -0.200 55.515 55.803 -0.147 0.000 0.820 365 Q CB 2.673 31.322 28.738 -0.149 0.000 1.347 365 Q HN 0.939 nan 8.270 nan 0.000 0.444 366 T N -2.512 112.142 114.554 0.167 0.000 2.932 366 T HA 0.695 5.045 4.350 0.000 0.000 0.289 366 T C -0.492 174.263 174.700 0.091 0.000 1.039 366 T CA -0.729 61.438 62.100 0.113 0.000 1.024 366 T CB 1.226 70.170 68.868 0.127 0.000 1.090 366 T HN 0.259 nan 8.240 nan 0.000 0.496 367 V N 2.823 122.757 119.914 0.034 0.000 2.347 367 V HA 0.381 4.501 4.120 0.000 0.000 0.280 367 V C 0.362 176.464 176.094 0.012 0.000 1.021 367 V CA -0.910 61.401 62.300 0.020 0.000 0.847 367 V CB 0.967 32.792 31.823 0.003 0.000 0.990 367 V HN 1.015 nan 8.190 nan 0.000 0.444 368 M N 4.758 124.373 119.600 0.025 0.000 2.235 368 M HA 0.060 4.540 4.480 0.000 0.000 0.336 368 M C 0.891 177.194 176.300 0.004 0.000 1.146 368 M CA 0.783 56.099 55.300 0.025 0.000 1.018 368 M CB 0.574 33.188 32.600 0.023 0.000 1.694 368 M HN 0.927 nan 8.290 nan 0.000 0.451 369 S N 2.333 118.033 115.700 0.001 0.000 2.579 369 S HA 0.126 4.596 4.470 0.000 0.000 0.275 369 S C 1.013 175.612 174.600 -0.002 0.000 1.345 369 S CA -0.209 57.983 58.200 -0.014 0.000 1.031 369 S CB 0.657 63.844 63.200 -0.021 0.000 0.892 369 S HN 0.796 nan 8.310 nan 0.000 0.529 370 T N 1.320 115.870 114.554 -0.007 0.000 2.699 370 T HA -0.197 4.153 4.350 0.000 0.000 0.268 370 T C 1.675 176.381 174.700 0.009 0.000 1.036 370 T CA 1.835 63.935 62.100 0.001 0.000 1.147 370 T CB -0.581 68.284 68.868 -0.004 0.000 0.862 370 T HN 0.891 nan 8.240 nan 0.000 0.446 371 E N 0.813 121.015 120.200 0.003 0.000 2.085 371 E HA -0.138 4.212 4.350 0.000 0.000 0.194 371 E C 2.201 178.817 176.600 0.027 0.000 0.994 371 E CA 0.995 57.401 56.400 0.009 0.000 0.801 371 E CB -0.265 29.433 29.700 -0.003 0.000 0.743 371 E HN 0.468 nan 8.360 nan 0.000 0.453 372 L N 0.616 121.857 121.223 0.031 0.000 2.056 372 L HA -0.168 4.172 4.340 0.000 0.000 0.207 372 L C 2.644 179.554 176.870 0.066 0.000 1.078 372 L CA 0.496 55.369 54.840 0.056 0.000 0.749 372 L CB -0.317 41.773 42.059 0.053 0.000 0.901 372 L HN 0.269 nan 8.230 nan 0.000 0.433 373 I N 0.012 120.607 120.570 0.042 0.000 2.179 373 I HA -0.280 3.890 4.170 0.000 0.000 0.242 373 I C 2.151 178.298 176.117 0.050 0.000 1.088 373 I CA 1.507 62.828 61.300 0.035 0.000 1.357 373 I CB -1.125 36.886 38.000 0.017 0.000 1.051 373 I HN 0.285 nan 8.210 nan 0.000 0.409 374 D N 0.802 121.230 120.400 0.047 0.000 2.182 374 D HA -0.144 4.496 4.640 0.000 0.000 0.201 374 D C 2.347 178.694 176.300 0.079 0.000 0.986 374 D CA 1.682 55.714 54.000 0.053 0.000 0.847 374 D CB -0.107 40.716 40.800 0.038 0.000 0.942 374 D HN 0.393 nan 8.370 nan 0.000 0.467 375 S N -0.109 115.648 115.700 0.096 0.000 2.423 375 S HA -0.094 4.376 4.470 0.000 0.000 0.231 375 S C 2.173 176.918 174.600 0.242 0.000 1.014 375 S CA 0.571 58.859 58.200 0.147 0.000 0.965 375 S CB -0.500 62.781 63.200 0.136 0.000 0.785 375 S HN 0.085 nan 8.310 nan 0.000 0.495 376 V N 3.029 123.063 119.914 0.200 0.000 2.453 376 V HA -0.186 3.934 4.120 0.000 0.000 0.252 376 V C 2.235 178.456 176.094 0.212 0.000 1.068 376 V CA 2.192 64.634 62.300 0.237 0.000 1.070 376 V CB -0.871 31.001 31.823 0.081 0.000 0.664 376 V HN 0.841 nan 8.190 nan 0.000 0.461 377 K N 0.224 120.713 120.400 0.148 0.000 2.440 377 K HA 0.177 4.497 4.320 0.000 0.000 0.206 377 K C 1.612 178.276 176.600 0.106 0.000 1.025 377 K CA 0.663 57.021 56.287 0.118 0.000 1.135 377 K CB 0.198 32.752 32.500 0.089 0.000 0.856 377 K HN 0.407 nan 8.250 nan 0.000 0.502 378 S N 0.997 116.776 115.700 0.133 0.000 2.402 378 S HA -0.194 4.276 4.470 0.000 0.000 0.233 378 S C 1.060 175.679 174.600 0.032 0.000 1.030 378 S CA 1.420 59.661 58.200 0.068 0.000 1.003 378 S CB -0.320 62.900 63.200 0.032 0.000 0.813 378 S HN 0.336 nan 8.310 nan 0.000 0.477 379 D N 0.758 121.187 120.400 0.049 0.000 2.340 379 D HA 0.207 4.847 4.640 0.000 0.000 0.220 379 D C 0.155 176.498 176.300 0.070 0.000 1.039 379 D CA 0.333 54.348 54.000 0.025 0.000 0.866 379 D CB -0.034 40.759 40.800 -0.012 0.000 0.913 379 D HN 0.378 nan 8.370 nan 0.000 0.523 380 M N 0.451 120.093 119.600 0.070 0.000 2.277 380 M HA 0.220 4.700 4.480 0.000 0.000 0.350 380 M C 0.250 176.579 176.300 0.047 0.000 1.180 380 M CA -0.044 55.304 55.300 0.080 0.000 1.103 380 M CB 1.180 33.819 32.600 0.066 0.000 1.577 380 M HN -0.341 nan 8.290 nan 0.000 0.459 381 T N 4.531 119.105 114.554 0.035 0.000 2.767 381 T HA 0.689 5.039 4.350 0.000 0.000 0.284 381 T C 0.100 174.782 174.700 -0.031 0.000 0.973 381 T CA -0.365 61.737 62.100 0.003 0.000 0.996 381 T CB 0.640 69.505 68.868 -0.005 0.000 0.927 381 T HN 0.438 nan 8.240 nan 0.000 0.456 382 I N 3.934 124.485 120.570 -0.031 0.000 2.436 382 I HA 0.534 4.704 4.170 0.000 0.000 0.289 382 I C 0.116 176.206 176.117 -0.045 0.000 1.010 382 I CA -0.871 60.385 61.300 -0.073 0.000 1.098 382 I CB 1.657 39.652 38.000 -0.008 0.000 1.266 382 I HN 0.358 nan 8.210 nan 0.000 0.434 383 R N 3.619 124.062 120.500 -0.094 0.000 2.744 383 R HA 0.806 5.146 4.340 0.000 0.000 0.279 383 R C -0.069 176.251 176.300 0.032 0.000 0.977 383 R CA -0.665 55.422 56.100 -0.023 0.000 0.906 383 R CB 2.269 32.548 30.300 -0.034 0.000 1.197 383 R HN 0.886 nan 8.270 nan 0.000 0.463 384 G N 0.611 109.470 108.800 0.098 0.000 2.587 384 G HA2 -0.215 3.745 3.960 0.000 0.000 0.212 384 G HA3 -0.215 3.745 3.960 0.000 0.000 0.212 384 G C -0.989 174.056 174.900 0.242 0.000 1.327 384 G CA -0.459 44.734 45.100 0.155 0.000 0.898 384 G HN 0.673 nan 8.290 nan 0.000 0.551 385 T N 0.129 114.809 114.554 0.210 0.000 2.841 385 T HA 0.664 5.014 4.350 0.000 0.000 0.285 385 T C -2.920 171.707 174.700 -0.122 0.000 0.991 385 T CA -1.329 60.814 62.100 0.072 0.000 0.966 385 T CB 2.354 71.235 68.868 0.021 0.000 0.962 385 T HN 0.516 nan 8.240 nan 0.000 0.438 386 P HA 0.232 nan 4.420 nan 0.000 0.263 386 P C 1.248 178.314 177.300 -0.389 0.000 1.175 386 P CA 1.256 63.793 63.100 -0.939 0.000 0.761 386 P CB 0.178 31.444 31.700 -0.723 0.000 0.794 387 G N 1.547 110.168 108.800 -0.298 0.000 2.217 387 G HA2 -0.195 3.765 3.960 0.000 0.000 0.246 387 G HA3 -0.195 3.765 3.960 0.000 0.000 0.246 387 G C -0.010 174.856 174.900 -0.057 0.000 0.990 387 G CA -0.251 44.772 45.100 -0.127 0.000 0.627 387 G HN 0.565 nan 8.290 nan 0.000 0.522 388 E N -0.254 119.925 120.200 -0.035 0.000 2.232 388 E HA 0.574 4.924 4.350 0.000 0.000 0.264 388 E C 1.132 177.766 176.600 0.057 0.000 0.973 388 E CA -0.840 55.569 56.400 0.014 0.000 0.849 388 E CB 1.059 30.770 29.700 0.018 0.000 1.198 388 E HN 0.053 nan 8.360 nan 0.000 0.407 389 L N 0.547 121.796 121.223 0.043 0.000 2.187 389 L HA -0.198 4.142 4.340 0.000 0.000 0.213 389 L C 2.356 179.262 176.870 0.060 0.000 1.100 389 L CA 1.929 56.796 54.840 0.045 0.000 0.765 389 L CB -1.252 40.824 42.059 0.027 0.000 0.904 389 L HN 0.662 nan 8.230 nan 0.000 0.437 390 T N -4.884 109.713 114.554 0.072 0.000 3.088 390 T HA -0.073 4.277 4.350 0.000 0.000 0.259 390 T C 0.603 175.370 174.700 0.112 0.000 1.122 390 T CA -0.153 61.989 62.100 0.071 0.000 1.095 390 T CB -0.527 68.378 68.868 0.062 0.000 0.930 390 T HN 0.121 nan 8.240 nan 0.000 0.508 391 Y N 2.726 123.024 120.300 -0.003 0.000 2.442 391 Y HA 0.458 5.008 4.550 0.000 0.000 0.330 391 Y C 0.105 176.004 175.900 -0.002 0.000 1.129 391 Y CA -0.946 57.153 58.100 -0.002 0.000 1.365 391 Y CB 0.498 38.956 38.460 -0.005 0.000 1.233 391 Y HN 0.162 nan 8.280 nan 0.000 0.529 392 S N 5.323 120.764 115.700 -0.431 0.000 2.614 392 S HA 0.717 5.187 4.470 0.000 0.000 0.288 392 S C -1.993 172.316 174.600 -0.484 0.000 1.137 392 S CA -0.677 57.309 58.200 -0.356 0.000 0.992 392 S CB 0.690 63.791 63.200 -0.165 0.000 1.026 392 S HN 0.463 nan 8.310 nan 0.000 0.486 393 V N 4.760 124.453 119.914 -0.368 0.000 2.407 393 V HA 0.726 4.846 4.120 0.000 0.000 0.291 393 V C 0.124 176.179 176.094 -0.065 0.000 1.018 393 V CA -0.464 61.705 62.300 -0.218 0.000 0.842 393 V CB 1.356 33.070 31.823 -0.183 0.000 0.996 393 V HN 1.018 nan 8.190 nan 0.000 0.426 394 T N 1.817 116.363 114.554 -0.014 0.000 2.883 394 T HA 0.883 5.233 4.350 0.000 0.000 0.296 394 T C -1.011 173.771 174.700 0.137 0.000 1.117 394 T CA -0.738 61.378 62.100 0.027 0.000 1.006 394 T CB 2.389 71.226 68.868 -0.051 0.000 1.191 394 T HN 0.833 nan 8.240 nan 0.000 0.508 395 Y N -1.756 118.532 120.300 -0.020 0.000 2.644 395 Y HA 0.761 5.311 4.550 0.000 0.000 0.338 395 Y C -0.875 175.015 175.900 -0.016 0.000 1.119 395 Y CA -1.309 56.782 58.100 -0.015 0.000 1.060 395 Y CB 0.801 39.259 38.460 -0.002 0.000 1.294 395 Y HN 0.643 nan 8.280 nan 0.000 0.472 396 T N 4.191 118.742 114.554 -0.005 0.000 2.762 396 T HA 0.390 4.740 4.350 0.000 0.000 0.303 396 T C -2.791 171.904 174.700 -0.009 0.000 0.977 396 T CA -1.289 60.756 62.100 -0.091 0.000 0.961 396 T CB 0.510 69.366 68.868 -0.020 0.000 0.944 396 T HN 0.347 nan 8.240 nan 0.000 0.481 397 P HA 0.274 nan 4.420 nan 0.000 0.268 397 P C 1.090 178.427 177.300 0.061 0.000 1.204 397 P CA 0.479 63.613 63.100 0.057 0.000 0.768 397 P CB 0.453 32.134 31.700 -0.031 0.000 0.842 398 G N 1.858 110.714 108.800 0.094 0.000 2.162 398 G HA2 -0.209 3.751 3.960 0.000 0.000 0.260 398 G HA3 -0.209 3.751 3.960 0.000 0.000 0.260 398 G C 0.438 175.352 174.900 0.023 0.000 0.976 398 G CA 0.023 45.151 45.100 0.048 0.000 0.655 398 G HN 0.860 nan 8.290 nan 0.000 0.533 399 A N 0.538 123.372 122.820 0.025 0.000 2.488 399 A HA 0.660 4.980 4.320 0.000 0.000 0.249 399 A C 1.697 179.271 177.584 -0.018 0.000 1.083 399 A CA 1.180 53.218 52.037 0.002 0.000 0.768 399 A CB 0.367 19.370 19.000 0.005 0.000 1.017 399 A HN 1.643 nan 8.150 nan 0.000 0.496 400 S N 1.476 117.162 115.700 -0.023 0.000 2.453 400 S HA -0.150 4.320 4.470 0.000 0.000 0.231 400 S C 1.511 176.079 174.600 -0.053 0.000 1.005 400 S CA 1.450 59.629 58.200 -0.035 0.000 0.949 400 S CB -0.895 62.289 63.200 -0.027 0.000 0.774 400 S HN 1.091 nan 8.310 nan 0.000 0.510 401 T N -0.254 114.270 114.554 -0.050 0.000 3.072 401 T HA 0.083 4.433 4.350 0.000 0.000 0.266 401 T C 0.573 175.217 174.700 -0.094 0.000 1.127 401 T CA 0.006 62.068 62.100 -0.064 0.000 1.107 401 T CB -0.686 68.153 68.868 -0.047 0.000 0.910 401 T HN 0.232 nan 8.240 nan 0.000 0.513 402 N N 2.142 120.784 118.700 -0.096 0.000 2.492 402 N HA 0.159 4.899 4.740 0.000 0.000 0.260 402 N C 0.991 176.345 175.510 -0.261 0.000 1.215 402 N CA -0.251 52.710 53.050 -0.148 0.000 0.923 402 N CB 0.913 39.336 38.487 -0.107 0.000 1.092 402 N HN 0.136 nan 8.380 nan 0.000 0.448 403 K N 1.048 121.196 120.400 -0.420 0.000 2.305 403 K HA 0.033 4.353 4.320 0.000 0.000 0.199 403 K C 0.108 176.147 176.600 -0.935 0.000 1.047 403 K CA 1.001 56.892 56.287 -0.661 0.000 0.976 403 K CB 0.032 32.026 32.500 -0.843 0.000 0.765 403 K HN 0.573 nan 8.250 nan 0.000 0.474 404 H N 0.132 118.880 119.070 -0.537 0.000 2.679 404 H HA 0.328 4.884 4.556 0.000 0.000 0.367 404 H C -2.280 172.713 175.328 -0.559 0.000 1.162 404 H CA -2.467 53.092 56.048 -0.814 0.000 1.181 404 H CB 1.406 30.257 29.762 -1.518 0.000 1.693 404 H HN -0.127 nan 8.280 nan 0.000 0.538 405 P HA 0.014 nan 4.420 nan 0.000 0.274 405 P C 0.256 177.341 177.300 -0.360 0.000 1.246 405 P CA -0.280 62.610 63.100 -0.350 0.000 0.795 405 P CB 1.322 32.808 31.700 -0.357 0.000 1.006 406 D N 0.196 120.522 120.400 -0.123 0.000 2.158 406 D HA -0.161 4.479 4.640 0.000 0.000 0.197 406 D C 1.934 178.242 176.300 0.014 0.000 0.995 406 D CA 1.408 55.414 54.000 0.010 0.000 0.846 406 D CB -0.581 40.330 40.800 0.184 0.000 0.941 406 D HN 0.621 nan 8.370 nan 0.000 0.456 407 W N 0.252 121.621 121.300 0.115 0.000 2.363 407 W HA -0.147 4.513 4.660 0.000 0.000 0.296 407 W C 1.993 178.585 176.519 0.123 0.000 1.212 407 W CA 0.190 57.599 57.345 0.107 0.000 1.260 407 W CB -1.338 28.180 29.460 0.095 0.000 1.131 407 W HN 0.058 nan 8.180 nan 0.000 0.530 408 W N 3.403 124.225 121.300 -0.797 0.000 2.380 408 W HA -0.168 4.492 4.660 0.000 0.000 0.317 408 W C 1.955 178.211 176.519 -0.439 0.000 1.196 408 W CA 1.758 58.657 57.345 -0.743 0.000 1.307 408 W CB -1.060 27.715 29.460 -1.143 0.000 1.157 408 W HN -0.117 nan 8.180 nan 0.000 0.483 409 N N 0.984 119.602 118.700 -0.137 0.000 2.149 409 N HA -0.210 4.530 4.740 0.000 0.000 0.188 409 N C 1.509 176.728 175.510 -0.486 0.000 1.019 409 N CA 1.966 54.722 53.050 -0.490 0.000 0.857 409 N CB -0.664 37.104 38.487 -1.198 0.000 0.997 409 N HN 0.239 nan 8.380 nan 0.000 0.426 410 E N 1.367 121.429 120.200 -0.230 0.000 2.051 410 E HA -0.091 4.259 4.350 0.000 0.000 0.192 410 E C 1.621 178.272 176.600 0.085 0.000 0.991 410 E CA 1.386 57.844 56.400 0.097 0.000 0.799 410 E CB 0.034 29.858 29.700 0.206 0.000 0.748 410 E HN 0.273 nan 8.360 nan 0.000 0.449 411 K N -0.538 119.899 120.400 0.061 0.000 2.057 411 K HA -0.093 4.227 4.320 0.000 0.000 0.207 411 K C 2.121 178.736 176.600 0.025 0.000 1.049 411 K CA 1.369 57.685 56.287 0.049 0.000 0.931 411 K CB -0.138 32.379 32.500 0.027 0.000 0.714 411 K HN 0.014 nan 8.250 nan 0.000 0.440 412 V N 2.086 121.981 119.914 -0.031 0.000 2.261 412 V HA -0.260 3.860 4.120 0.000 0.000 0.246 412 V C 2.412 178.549 176.094 0.072 0.000 1.047 412 V CA 1.590 63.887 62.300 -0.004 0.000 1.015 412 V CB -0.456 31.355 31.823 -0.020 0.000 0.642 412 V HN 0.324 nan 8.190 nan 0.000 0.446 413 K N 0.515 120.953 120.400 0.063 0.000 2.044 413 K HA -0.254 4.066 4.320 0.000 0.000 0.210 413 K C 1.979 178.632 176.600 0.088 0.000 1.049 413 K CA 2.148 58.497 56.287 0.104 0.000 0.927 413 K CB -0.475 32.149 32.500 0.207 0.000 0.713 413 K HN 0.444 nan 8.250 nan 0.000 0.443 414 N N 0.381 119.139 118.700 0.096 0.000 2.120 414 N HA -0.173 4.567 4.740 0.000 0.000 0.188 414 N C 1.831 177.379 175.510 0.063 0.000 1.024 414 N CA 1.353 54.447 53.050 0.075 0.000 0.852 414 N CB -0.702 37.838 38.487 0.088 0.000 1.003 414 N HN 0.441 nan 8.380 nan 0.000 0.424 415 H N 0.751 119.839 119.070 0.029 0.000 2.290 415 H HA 0.062 4.618 4.556 0.000 0.000 0.298 415 H C 2.057 177.417 175.328 0.053 0.000 1.087 415 H CA 1.867 57.940 56.048 0.043 0.000 1.291 415 H CB -0.149 29.573 29.762 -0.066 0.000 1.369 415 H HN 0.115 nan 8.280 nan 0.000 0.492 416 M N -0.903 118.673 119.600 -0.041 0.000 2.229 416 M HA -0.144 4.336 4.480 0.000 0.000 0.264 416 M C 1.865 178.203 176.300 0.064 0.000 1.063 416 M CA 1.080 56.378 55.300 -0.003 0.000 1.114 416 M CB 0.026 32.697 32.600 0.118 0.000 1.387 416 M HN 0.339 nan 8.290 nan 0.000 0.420 417 M N -0.292 119.323 119.600 0.025 0.000 2.236 417 M HA -0.111 4.369 4.480 0.000 0.000 0.266 417 M C 1.845 178.116 176.300 -0.048 0.000 1.070 417 M CA 1.703 57.025 55.300 0.036 0.000 1.137 417 M CB -0.941 31.664 32.600 0.008 0.000 1.378 417 M HN 0.318 nan 8.290 nan 0.000 0.426 418 Q N -0.939 118.752 119.800 -0.182 0.000 2.331 418 Q HA -0.027 4.313 4.340 0.000 0.000 0.203 418 Q C -0.027 175.597 176.000 -0.626 0.000 0.944 418 Q CA 0.684 56.254 55.803 -0.388 0.000 0.892 418 Q CB 0.383 28.834 28.738 -0.480 0.000 0.983 418 Q HN 0.537 nan 8.270 nan 0.000 0.482 419 H N 0.037 119.017 119.070 -0.148 0.000 2.379 419 H HA 0.197 4.753 4.556 0.000 0.000 0.229 419 H C -0.031 175.210 175.328 -0.146 0.000 1.423 419 H CA -0.091 55.876 56.048 -0.135 0.000 1.375 419 H CB 0.510 30.162 29.762 -0.183 0.000 1.592 419 H HN 0.236 nan 8.280 nan 0.000 0.507 420 Q N 0.660 120.442 119.800 -0.030 0.000 2.436 420 Q HA -0.094 4.247 4.340 0.000 0.000 0.209 420 Q C 1.631 177.568 176.000 -0.106 0.000 0.965 420 Q CA 0.771 56.515 55.803 -0.098 0.000 0.910 420 Q CB 0.460 29.100 28.738 -0.162 0.000 0.980 420 Q HN 0.512 nan 8.270 nan 0.000 0.491 421 E N 0.869 121.058 120.200 -0.020 0.000 2.481 421 E HA -0.075 4.275 4.350 0.000 0.000 0.195 421 E C -0.345 176.280 176.600 0.042 0.000 1.047 421 E CA 0.368 56.769 56.400 0.001 0.000 0.867 421 E CB -0.029 29.689 29.700 0.030 0.000 0.858 421 E HN 0.135 nan 8.360 nan 0.000 0.513 422 D N 2.352 122.793 120.400 0.068 0.000 2.249 422 D HA 0.117 4.757 4.640 0.000 0.000 0.246 422 D C -1.544 174.805 176.300 0.081 0.000 1.114 422 D CA -2.102 51.970 54.000 0.120 0.000 0.854 422 D CB 1.542 42.445 40.800 0.171 0.000 1.132 422 D HN -0.174 nan 8.370 nan 0.000 0.461 423 P HA 0.078 nan 4.420 nan 0.000 0.245 423 P C -0.207 177.132 177.300 0.066 0.000 1.212 423 P CA 0.239 63.374 63.100 0.058 0.000 0.774 423 P CB 0.334 32.060 31.700 0.043 0.000 0.999 424 L N 1.725 122.998 121.223 0.083 0.000 2.331 424 L HA 0.374 4.714 4.340 0.000 0.000 0.275 424 L C -1.431 175.475 176.870 0.060 0.000 1.022 424 L CA -2.252 52.614 54.840 0.043 0.000 0.812 424 L CB 2.464 44.518 42.059 -0.009 0.000 1.257 424 L HN -0.295 nan 8.230 nan 0.000 0.435 425 P HA 0.100 nan 4.420 nan 0.000 0.255 425 P C 0.176 177.367 177.300 -0.181 0.000 1.248 425 P CA 0.465 63.582 63.100 0.028 0.000 0.807 425 P CB 0.384 32.101 31.700 0.027 0.000 1.150 426 I N 2.259 122.619 120.570 -0.349 0.000 2.371 426 I HA 0.232 4.402 4.170 0.000 0.000 0.290 426 I C -2.142 173.486 176.117 -0.813 0.000 1.028 426 I CA -2.825 58.205 61.300 -0.450 0.000 1.345 426 I CB 0.841 38.664 38.000 -0.296 0.000 1.407 426 I HN -0.242 nan 8.210 nan 0.000 0.501 427 P HA -0.000 nan 4.420 nan 0.000 0.267 427 P C 0.322 177.390 177.300 -0.386 0.000 1.200 427 P CA -0.003 62.734 63.100 -0.606 0.000 0.772 427 P CB 0.344 31.927 31.700 -0.195 0.000 0.855 428 F N 0.789 120.626 119.950 -0.188 0.000 2.161 428 F HA -0.141 4.386 4.527 0.000 0.000 0.300 428 F C 1.727 177.490 175.800 -0.062 0.000 1.089 428 F CA 1.616 59.550 58.000 -0.110 0.000 1.282 428 F CB -0.943 38.006 39.000 -0.084 0.000 1.010 428 F HN 0.412 nan 8.300 nan 0.000 0.485 429 E N -0.343 119.941 120.200 0.140 0.000 2.419 429 E HA -0.002 4.348 4.350 0.000 0.000 0.190 429 E C -0.233 176.389 176.600 0.037 0.000 1.040 429 E CA -0.225 56.228 56.400 0.088 0.000 0.900 429 E CB -0.221 29.534 29.700 0.090 0.000 1.054 429 E HN 0.184 nan 8.360 nan 0.000 0.462 430 D N 2.469 122.868 120.400 -0.002 0.000 2.417 430 D HA 0.035 4.675 4.640 0.000 0.000 0.250 430 D C -2.288 174.027 176.300 0.024 0.000 1.166 430 D CA -1.634 52.351 54.000 -0.026 0.000 0.881 430 D CB 0.818 41.561 40.800 -0.095 0.000 1.164 430 D HN -0.130 nan 8.370 nan 0.000 0.467 431 P HA 0.075 nan 4.420 nan 0.000 0.271 431 P C -0.366 177.044 177.300 0.184 0.000 1.233 431 P CA -0.379 62.810 63.100 0.148 0.000 0.789 431 P CB 0.355 32.146 31.700 0.153 0.000 0.951 432 E N 1.460 121.789 120.200 0.215 0.000 2.392 432 E HA 0.213 4.563 4.350 0.000 0.000 0.256 432 E C -2.526 174.116 176.600 0.070 0.000 1.145 432 E CA -1.983 54.472 56.400 0.092 0.000 0.929 432 E CB -0.992 28.721 29.700 0.023 0.000 0.998 432 E HN 0.207 nan 8.360 nan 0.000 0.442 433 P HA 0.090 nan 4.420 nan 0.000 0.271 433 P C -0.542 176.756 177.300 -0.003 0.000 1.218 433 P CA -0.010 63.156 63.100 0.110 0.000 0.780 433 P CB 0.386 32.094 31.700 0.014 0.000 0.901 434 Q N 1.036 120.933 119.800 0.162 0.000 3.230 434 Q HA 0.298 4.638 4.340 0.000 0.000 0.303 434 Q C -1.056 175.034 176.000 0.151 0.000 0.884 434 Q CA -0.312 55.473 55.803 -0.029 0.000 0.859 434 Q CB 1.055 29.527 28.738 -0.444 0.000 1.432 434 Q HN 0.181 nan 8.270 nan 0.000 0.403 435 V N 0.642 120.586 119.914 0.050 0.000 2.547 435 V HA 0.705 4.825 4.120 0.000 0.000 0.299 435 V C 0.212 176.306 176.094 0.000 0.000 1.040 435 V CA -0.381 61.940 62.300 0.035 0.000 0.913 435 V CB 1.984 33.769 31.823 -0.064 0.000 0.992 435 V HN 0.424 nan 8.190 nan 0.000 0.449 436 T N 1.915 116.504 114.554 0.058 0.000 2.916 436 T HA 0.452 4.802 4.350 0.000 0.000 0.305 436 T C -0.835 173.811 174.700 -0.090 0.000 1.119 436 T CA -0.318 61.767 62.100 -0.026 0.000 1.008 436 T CB 1.794 70.643 68.868 -0.032 0.000 1.129 436 T HN 0.817 nan 8.240 nan 0.000 0.480 437 T N 5.006 119.360 114.554 -0.332 0.000 2.756 437 T HA 0.593 4.943 4.350 0.000 0.000 0.290 437 T C 0.036 174.594 174.700 -0.237 0.000 0.985 437 T CA -0.594 61.142 62.100 -0.607 0.000 0.955 437 T CB -0.194 67.861 68.868 -1.356 0.000 0.930 437 T HN 0.515 nan 8.240 nan 0.000 0.451 438 L N 4.490 125.651 121.223 -0.104 0.000 2.452 438 L HA 0.369 4.709 4.340 0.000 0.000 0.267 438 L C 0.760 177.637 176.870 0.011 0.000 1.188 438 L CA -0.891 53.971 54.840 0.036 0.000 0.821 438 L CB 0.191 42.262 42.059 0.020 0.000 1.102 438 L HN 0.624 nan 8.230 nan 0.000 0.470 439 F N 2.896 122.772 119.950 -0.123 0.000 2.604 439 F HA -0.083 4.444 4.527 0.000 0.000 0.390 439 F C 0.253 175.792 175.800 -0.436 0.000 1.053 439 F CA 0.599 58.432 58.000 -0.278 0.000 1.256 439 F CB 0.084 38.973 39.000 -0.185 0.000 0.996 439 F HN 0.390 nan 8.300 nan 0.000 0.564 440 Q N 6.708 126.000 119.800 -0.848 0.000 2.501 440 Q HA 0.270 4.610 4.340 0.000 0.000 0.288 440 Q C -1.980 173.564 176.000 -0.761 0.000 1.051 440 Q CA -1.759 53.633 55.803 -0.684 0.000 0.788 440 Q CB 1.492 29.700 28.738 -0.885 0.000 1.469 440 Q HN 0.233 nan 8.270 nan 0.000 0.416 441 P HA -0.181 nan 4.420 nan 0.000 0.216 441 P C 1.107 178.185 177.300 -0.370 0.000 1.150 441 P CA 1.900 64.821 63.100 -0.298 0.000 0.843 441 P CB 0.227 31.846 31.700 -0.135 0.000 0.787 442 S N -1.627 113.855 115.700 -0.364 0.000 2.562 442 S HA -0.082 4.388 4.470 0.000 0.000 0.221 442 S C 0.489 174.900 174.600 -0.315 0.000 0.975 442 S CA 0.049 58.111 58.200 -0.232 0.000 0.918 442 S CB -1.261 61.906 63.200 -0.056 0.000 0.772 442 S HN 0.437 nan 8.310 nan 0.000 0.531 443 H N -1.350 117.267 119.070 -0.754 0.000 2.562 443 H HA 0.454 5.011 4.556 0.000 0.000 0.230 443 H C -3.228 170.921 175.328 -1.965 0.000 1.415 443 H CA -1.726 53.468 56.048 -1.422 0.000 1.454 443 H CB 0.397 29.608 29.762 -0.920 0.000 1.716 443 H HN 0.060 nan 8.280 nan 0.000 0.538 444 P HA 0.075 nan 4.420 nan 0.000 0.226 444 P C -1.237 175.494 177.300 -0.948 0.000 1.783 444 P CA 0.228 62.268 63.100 -1.766 0.000 0.980 444 P CB -1.066 30.132 31.700 -0.837 0.000 1.967 445 W N -0.408 120.569 121.300 -0.538 0.000 3.213 445 W HA 0.516 5.176 4.660 0.000 0.000 0.318 445 W C -0.966 175.638 176.519 0.142 0.000 1.248 445 W CA -1.298 56.057 57.345 0.018 0.000 1.187 445 W CB 0.040 29.530 29.460 0.050 0.000 1.403 445 W HN -0.022 nan 8.180 nan 0.000 0.556 446 H N 1.167 120.495 119.070 0.430 0.000 2.511 446 H HA 0.680 5.236 4.556 0.000 0.000 0.346 446 H C -0.157 175.322 175.328 0.252 0.000 1.128 446 H CA 0.511 56.713 56.048 0.256 0.000 1.342 446 H CB 1.439 31.287 29.762 0.143 0.000 1.470 446 H HN 0.578 nan 8.280 nan 0.000 0.546 447 T N 2.154 116.348 114.554 -0.600 0.000 2.893 447 T HA 0.503 4.853 4.350 0.000 0.000 0.293 447 T C -0.763 173.620 174.700 -0.528 0.000 1.027 447 T CA -1.107 60.664 62.100 -0.548 0.000 0.988 447 T CB 1.587 70.036 68.868 -0.699 0.000 1.043 447 T HN 0.668 nan 8.240 nan 0.000 0.461 448 Q N 1.952 121.630 119.800 -0.203 0.000 2.274 448 Q HA 0.562 4.902 4.340 0.000 0.000 0.268 448 Q C -1.202 174.657 176.000 -0.235 0.000 1.015 448 Q CA -0.609 54.988 55.803 -0.344 0.000 0.775 448 Q CB 2.530 30.933 28.738 -0.558 0.000 1.256 448 Q HN 0.725 nan 8.270 nan 0.000 0.442 449 I N 3.723 124.132 120.570 -0.267 0.000 2.495 449 I HA 0.379 4.549 4.170 0.000 0.000 0.277 449 I C -0.443 175.555 176.117 -0.199 0.000 1.045 449 I CA -0.318 60.720 61.300 -0.436 0.000 1.135 449 I CB 0.434 38.042 38.000 -0.652 0.000 1.241 449 I HN 0.754 nan 8.210 nan 0.000 0.469 450 H N 3.726 122.606 119.070 -0.318 0.000 2.917 450 H HA 0.649 5.205 4.556 0.000 0.000 0.269 450 H C -1.278 173.971 175.328 -0.133 0.000 1.488 450 H CA -1.346 54.588 56.048 -0.189 0.000 1.173 450 H CB 1.432 31.104 29.762 -0.151 0.000 1.868 450 H HN 0.122 nan 8.280 nan 0.000 0.600 451 R N 1.428 121.742 120.500 -0.310 0.000 2.532 451 R HA 0.260 4.601 4.340 0.000 0.000 0.297 451 R C -1.472 174.569 176.300 -0.432 0.000 0.984 451 R CA -0.590 55.312 56.100 -0.330 0.000 0.884 451 R CB 1.755 31.992 30.300 -0.105 0.000 1.182 451 R HN 0.912 nan 8.270 nan 0.000 0.442 452 D N 0.745 120.893 120.400 -0.420 0.000 2.553 452 D HA 0.466 5.106 4.640 0.000 0.000 0.249 452 D C -0.429 175.848 176.300 -0.038 0.000 1.062 452 D CA -0.805 53.061 54.000 -0.224 0.000 1.085 452 D CB 0.745 41.408 40.800 -0.227 0.000 1.350 452 D HN 0.382 nan 8.370 nan 0.000 0.575 453 A N -0.289 122.535 122.820 0.008 0.000 2.587 453 A HA 0.376 4.696 4.320 0.000 0.000 0.235 453 A C -0.721 176.930 177.584 0.112 0.000 1.044 453 A CA 0.225 52.317 52.037 0.091 0.000 0.754 453 A CB -0.749 18.337 19.000 0.144 0.000 0.968 453 A HN 0.489 nan 8.150 nan 0.000 0.509 454 F N 1.503 121.386 119.950 -0.112 0.000 2.619 454 F HA 0.507 5.034 4.527 0.000 0.000 0.308 454 F C 0.045 175.678 175.800 -0.278 0.000 1.097 454 F CA -0.369 57.462 58.000 -0.280 0.000 0.953 454 F CB 1.969 40.676 39.000 -0.489 0.000 1.287 454 F HN 0.401 nan 8.300 nan 0.000 0.446 455 S N 4.151 119.251 115.700 -1.000 0.000 2.415 455 S HA 0.411 4.881 4.470 0.000 0.000 0.313 455 S C -1.261 172.976 174.600 -0.605 0.000 1.067 455 S CA -0.219 57.620 58.200 -0.602 0.000 1.099 455 S CB -0.450 62.475 63.200 -0.458 0.000 0.991 455 S HN 0.437 nan 8.310 nan 0.000 0.491 456 Y N 2.771 123.059 120.300 -0.019 0.000 2.359 456 Y HA 0.407 4.957 4.550 0.000 0.000 0.334 456 Y C 1.411 177.342 175.900 0.052 0.000 1.058 456 Y CA -0.030 58.160 58.100 0.149 0.000 1.244 456 Y CB 0.590 39.183 38.460 0.222 0.000 1.187 456 Y HN 0.705 nan 8.280 nan 0.000 0.510 457 G N 1.225 110.142 108.800 0.194 0.000 2.716 457 G HA2 0.246 4.206 3.960 0.000 0.000 0.251 457 G HA3 0.246 4.206 3.960 0.000 0.000 0.251 457 G C 0.906 175.886 174.900 0.134 0.000 1.224 457 G CA -0.030 45.143 45.100 0.121 0.000 0.891 457 G HN 0.871 nan 8.290 nan 0.000 0.561 458 A N -0.227 122.644 122.820 0.084 0.000 1.969 458 A HA 0.040 4.360 4.320 0.000 0.000 0.218 458 A C 2.448 180.071 177.584 0.066 0.000 1.169 458 A CA 1.758 53.835 52.037 0.067 0.000 0.635 458 A CB -0.501 18.525 19.000 0.044 0.000 0.810 458 A HN 0.698 nan 8.150 nan 0.000 0.445 459 V N -0.045 119.913 119.914 0.073 0.000 2.323 459 V HA -0.249 3.871 4.120 0.000 0.000 0.244 459 V C 2.469 178.609 176.094 0.077 0.000 1.041 459 V CA 2.359 64.698 62.300 0.066 0.000 1.025 459 V CB -0.537 31.323 31.823 0.062 0.000 0.656 459 V HN 0.720 nan 8.190 nan 0.000 0.451 460 Q N -0.795 119.082 119.800 0.128 0.000 2.170 460 Q HA -0.260 4.080 4.340 0.000 0.000 0.203 460 Q C 2.111 178.139 176.000 0.047 0.000 0.976 460 Q CA 1.618 57.511 55.803 0.148 0.000 0.858 460 Q CB -0.213 28.738 28.738 0.356 0.000 0.907 460 Q HN 0.687 nan 8.270 nan 0.000 0.433 461 Q N 0.028 119.866 119.800 0.064 0.000 2.439 461 Q HA -0.095 4.245 4.340 0.000 0.000 0.211 461 Q C 1.941 177.931 176.000 -0.016 0.000 0.978 461 Q CA 0.692 56.494 55.803 -0.002 0.000 0.897 461 Q CB -0.041 28.724 28.738 0.046 0.000 0.956 461 Q HN 0.169 nan 8.270 nan 0.000 0.483 462 S N -0.103 115.599 115.700 0.003 0.000 2.447 462 S HA -0.035 4.435 4.470 0.000 0.000 0.233 462 S C 0.739 175.330 174.600 -0.016 0.000 1.006 462 S CA 0.275 58.475 58.200 0.000 0.000 0.957 462 S CB 0.227 63.435 63.200 0.014 0.000 0.773 462 S HN 0.151 nan 8.310 nan 0.000 0.507 463 I N 2.800 123.348 120.570 -0.037 0.000 2.342 463 I HA 0.252 4.422 4.170 0.000 0.000 0.291 463 I C 0.329 176.399 176.117 -0.078 0.000 1.010 463 I CA -1.079 60.193 61.300 -0.047 0.000 1.308 463 I CB 0.776 38.749 38.000 -0.045 0.000 1.400 463 I HN 0.147 nan 8.210 nan 0.000 0.488 464 D N 3.997 124.371 120.400 -0.043 0.000 2.487 464 D HA -0.101 4.539 4.640 0.000 0.000 0.243 464 D C 1.210 177.471 176.300 -0.066 0.000 1.154 464 D CA 0.394 54.373 54.000 -0.035 0.000 0.876 464 D CB 1.067 41.872 40.800 0.008 0.000 1.161 464 D HN 0.606 nan 8.370 nan 0.000 0.478 465 S N 4.078 119.726 115.700 -0.086 0.000 2.402 465 S HA -0.226 4.245 4.470 0.000 0.000 0.233 465 S C 1.763 176.337 174.600 -0.044 0.000 1.030 465 S CA 1.257 59.395 58.200 -0.104 0.000 1.003 465 S CB 0.048 63.206 63.200 -0.069 0.000 0.813 465 S HN 0.547 nan 8.310 nan 0.000 0.477 466 R N 0.124 120.614 120.500 -0.017 0.000 2.241 466 R HA 0.041 4.381 4.340 0.000 0.000 0.224 466 R C 1.909 178.195 176.300 -0.023 0.000 1.101 466 R CA 1.165 57.253 56.100 -0.019 0.000 0.995 466 R CB -0.302 29.979 30.300 -0.032 0.000 0.870 466 R HN 0.448 nan 8.270 nan 0.000 0.463 467 L N 0.221 121.431 121.223 -0.021 0.000 2.509 467 L HA 0.132 4.472 4.340 0.000 0.000 0.222 467 L C 0.649 177.524 176.870 0.007 0.000 1.123 467 L CA 0.145 54.980 54.840 -0.009 0.000 0.856 467 L CB 0.114 42.167 42.059 -0.010 0.000 0.985 467 L HN 0.053 nan 8.230 nan 0.000 0.456 468 I N 0.168 120.737 120.570 -0.001 0.000 2.353 468 I HA 0.243 4.413 4.170 0.000 0.000 0.293 468 I C -0.571 175.569 176.117 0.038 0.000 0.992 468 I CA -0.396 60.919 61.300 0.026 0.000 1.268 468 I CB 1.743 39.747 38.000 0.006 0.000 1.387 468 I HN -0.296 nan 8.210 nan 0.000 0.478 469 V N 4.810 124.768 119.914 0.072 0.000 2.656 469 V HA 0.327 4.447 4.120 0.000 0.000 0.307 469 V C -0.797 175.310 176.094 0.023 0.000 1.051 469 V CA -0.864 61.445 62.300 0.016 0.000 0.893 469 V CB 2.119 33.952 31.823 0.016 0.000 0.999 469 V HN 0.581 nan 8.190 nan 0.000 0.426 470 D N 2.606 122.950 120.400 -0.095 0.000 2.210 470 D HA 0.443 5.083 4.640 0.000 0.000 0.249 470 D C -1.000 175.215 176.300 -0.142 0.000 1.062 470 D CA 0.092 54.071 54.000 -0.035 0.000 0.891 470 D CB 1.304 42.106 40.800 0.003 0.000 1.186 470 D HN 0.440 nan 8.370 nan 0.000 0.432 471 W N 1.483 122.756 121.300 -0.045 0.000 2.538 471 W HA 0.450 5.110 4.660 0.000 0.000 0.322 471 W C 0.221 176.765 176.519 0.041 0.000 1.028 471 W CA -0.856 56.495 57.345 0.011 0.000 1.228 471 W CB 1.233 30.586 29.460 -0.179 0.000 1.356 471 W HN -0.069 nan 8.180 nan 0.000 0.452 472 R N 2.916 123.627 120.500 0.352 0.000 2.483 472 R HA 0.522 4.862 4.340 0.000 0.000 0.303 472 R C -1.582 174.855 176.300 0.227 0.000 0.987 472 R CA -0.844 55.352 56.100 0.160 0.000 0.881 472 R CB 1.634 31.998 30.300 0.107 0.000 1.177 472 R HN 0.175 nan 8.270 nan 0.000 0.451 473 F N 3.064 122.836 119.950 -0.297 0.000 2.482 473 F HA 0.504 5.031 4.527 0.000 0.000 0.331 473 F C -0.447 175.203 175.800 -0.250 0.000 1.115 473 F CA -1.485 56.434 58.000 -0.136 0.000 0.955 473 F CB 1.177 40.069 39.000 -0.180 0.000 1.136 473 F HN 0.302 nan 8.300 nan 0.000 0.452 474 F N 1.391 121.501 119.950 0.266 0.000 2.449 474 F HA 0.647 5.174 4.527 0.000 0.000 0.342 474 F C 0.663 176.644 175.800 0.302 0.000 1.127 474 F CA -1.168 56.984 58.000 0.253 0.000 0.975 474 F CB 1.455 40.630 39.000 0.291 0.000 1.146 474 F HN 0.520 nan 8.300 nan 0.000 0.444 475 G N 2.161 111.185 108.800 0.373 0.000 2.451 475 G HA2 0.593 4.553 3.960 0.000 0.000 0.303 475 G HA3 0.593 4.553 3.960 0.000 0.000 0.303 475 G C -0.748 174.326 174.900 0.289 0.000 1.166 475 G CA -1.031 44.276 45.100 0.345 0.000 0.884 475 G HN 0.718 nan 8.290 nan 0.000 0.514 476 R N -0.528 120.146 120.500 0.291 0.000 2.404 476 R HA 0.628 4.968 4.340 0.000 0.000 0.291 476 R C -0.962 175.427 176.300 0.150 0.000 1.025 476 R CA -0.548 55.647 56.100 0.158 0.000 0.991 476 R CB 1.185 31.602 30.300 0.194 0.000 1.053 476 R HN 0.251 nan 8.270 nan 0.000 0.479 477 T N 2.204 116.812 114.554 0.090 0.000 2.786 477 T HA 0.101 4.451 4.350 0.000 0.000 0.283 477 T C -0.676 174.097 174.700 0.121 0.000 0.992 477 T CA -0.636 61.566 62.100 0.171 0.000 0.954 477 T CB 1.217 70.256 68.868 0.284 0.000 0.934 477 T HN 0.681 nan 8.240 nan 0.000 0.440 478 E N 4.965 125.242 120.200 0.128 0.000 2.558 478 E HA 0.026 4.376 4.350 0.000 0.000 0.255 478 E C -2.100 174.575 176.600 0.126 0.000 0.968 478 E CA -1.297 55.170 56.400 0.113 0.000 0.939 478 E CB 0.460 30.219 29.700 0.098 0.000 0.921 478 E HN 0.188 nan 8.360 nan 0.000 0.477 479 P HA 0.098 nan 4.420 nan 0.000 0.271 479 P C -1.206 176.247 177.300 0.255 0.000 1.226 479 P CA 0.117 63.352 63.100 0.226 0.000 0.765 479 P CB 0.661 32.513 31.700 0.253 0.000 0.835 480 K N 2.650 123.146 120.400 0.159 0.000 2.378 480 K HA 0.177 4.497 4.320 0.000 0.000 0.252 480 K C 0.995 177.437 176.600 -0.262 0.000 0.931 480 K CA -0.728 55.575 56.287 0.026 0.000 0.794 480 K CB 2.200 34.670 32.500 -0.050 0.000 1.181 480 K HN 0.449 nan 8.250 nan 0.000 0.425 481 E N 2.155 122.040 120.200 -0.524 0.000 2.130 481 E HA -0.228 4.122 4.350 0.000 0.000 0.196 481 E C 0.963 177.291 176.600 -0.453 0.000 0.998 481 E CA 1.564 57.371 56.400 -0.989 0.000 0.806 481 E CB 0.492 29.856 29.700 -0.560 0.000 0.738 481 E HN 0.555 nan 8.360 nan 0.000 0.459 482 E N 0.285 120.333 120.200 -0.252 0.000 2.347 482 E HA -0.100 4.250 4.350 0.000 0.000 0.196 482 E C 0.038 176.571 176.600 -0.112 0.000 1.008 482 E CA 0.262 56.570 56.400 -0.152 0.000 0.852 482 E CB -0.259 29.370 29.700 -0.119 0.000 0.783 482 E HN 0.069 nan 8.360 nan 0.000 0.505 483 N N 2.153 120.774 118.700 -0.131 0.000 2.401 483 N HA 0.158 4.899 4.740 0.000 0.000 0.255 483 N C -0.712 174.849 175.510 0.085 0.000 1.110 483 N CA 0.247 53.273 53.050 -0.039 0.000 0.949 483 N CB 1.001 39.427 38.487 -0.102 0.000 1.110 483 N HN 0.136 nan 8.380 nan 0.000 0.490 484 K N 1.145 121.652 120.400 0.178 0.000 2.477 484 K HA 0.475 4.795 4.320 0.000 0.000 0.255 484 K C -1.162 175.594 176.600 0.261 0.000 0.952 484 K CA -0.927 55.484 56.287 0.207 0.000 0.826 484 K CB 2.387 35.007 32.500 0.199 0.000 1.331 484 K HN 0.161 nan 8.250 nan 0.000 0.437 485 L N 3.729 125.054 121.223 0.171 0.000 2.319 485 L HA 0.572 4.913 4.340 0.000 0.000 0.281 485 L C -1.332 175.481 176.870 -0.095 0.000 1.005 485 L CA -0.089 54.693 54.840 -0.097 0.000 0.828 485 L CB 0.587 42.597 42.059 -0.082 0.000 1.227 485 L HN 0.713 nan 8.230 nan 0.000 0.415 486 W N 3.696 124.713 121.300 -0.471 0.000 3.017 486 W HA 0.675 5.335 4.660 0.000 0.000 0.341 486 W C -2.164 173.907 176.519 -0.746 0.000 1.180 486 W CA -1.212 55.916 57.345 -0.361 0.000 1.097 486 W CB 0.936 30.331 29.460 -0.107 0.000 1.468 486 W HN 0.342 nan 8.180 nan 0.000 0.584 487 F N 1.284 121.396 119.950 0.270 0.000 2.556 487 F HA 0.349 4.876 4.527 0.000 0.000 0.314 487 F C 0.680 176.628 175.800 0.246 0.000 1.106 487 F CA -1.009 57.032 58.000 0.069 0.000 0.911 487 F CB 2.146 41.184 39.000 0.062 0.000 1.190 487 F HN 0.247 nan 8.300 nan 0.000 0.448 488 S N 0.958 116.786 115.700 0.214 0.000 2.562 488 S HA 0.063 4.533 4.470 0.000 0.000 0.281 488 S C 0.704 175.447 174.600 0.237 0.000 1.333 488 S CA -0.538 57.820 58.200 0.264 0.000 1.052 488 S CB 0.350 63.612 63.200 0.103 0.000 0.884 488 S HN 0.691 nan 8.310 nan 0.000 0.506 489 D N 2.987 123.519 120.400 0.220 0.000 2.340 489 D HA 0.100 4.740 4.640 0.000 0.000 0.220 489 D C 0.964 177.325 176.300 0.102 0.000 1.039 489 D CA 0.401 54.486 54.000 0.140 0.000 0.866 489 D CB 0.226 41.093 40.800 0.113 0.000 0.913 489 D HN 0.392 nan 8.370 nan 0.000 0.523 490 K N -0.140 120.324 120.400 0.106 0.000 2.485 490 K HA 0.131 4.451 4.320 0.000 0.000 0.200 490 K C 0.070 176.711 176.600 0.068 0.000 1.352 490 K CA -0.076 56.258 56.287 0.077 0.000 0.953 490 K CB 0.941 33.486 32.500 0.076 0.000 1.387 490 K HN -0.005 nan 8.250 nan 0.000 0.512 491 I N 3.581 124.194 120.570 0.071 0.000 2.519 491 I HA 0.124 4.295 4.170 0.000 0.000 0.287 491 I C 0.527 176.678 176.117 0.055 0.000 1.047 491 I CA 0.076 61.407 61.300 0.051 0.000 1.381 491 I CB 0.956 38.974 38.000 0.031 0.000 1.417 491 I HN 0.161 nan 8.210 nan 0.000 0.540 492 T N 1.180 115.763 114.554 0.049 0.000 2.907 492 T HA 0.551 4.901 4.350 0.000 0.000 0.292 492 T C -0.347 174.386 174.700 0.056 0.000 1.043 492 T CA -0.951 61.184 62.100 0.059 0.000 1.003 492 T CB 2.398 71.297 68.868 0.052 0.000 1.084 492 T HN 0.554 nan 8.240 nan 0.000 0.483 493 D N 1.071 121.521 120.400 0.082 0.000 2.440 493 D HA 0.426 5.066 4.640 0.000 0.000 0.269 493 D C 1.573 177.912 176.300 0.066 0.000 1.249 493 D CA -0.401 53.655 54.000 0.093 0.000 1.055 493 D CB -0.045 40.847 40.800 0.153 0.000 1.104 493 D HN 0.657 nan 8.370 nan 0.000 0.561 494 A N -1.455 121.398 122.820 0.054 0.000 2.168 494 A HA -0.074 4.246 4.320 0.000 0.000 0.215 494 A C 1.097 178.504 177.584 -0.295 0.000 1.152 494 A CA 0.712 52.680 52.037 -0.116 0.000 0.716 494 A CB -0.898 17.997 19.000 -0.175 0.000 0.794 494 A HN 0.539 nan 8.150 nan 0.000 0.465 495 Y N -1.148 119.168 120.300 0.026 0.000 2.658 495 Y HA 0.235 4.786 4.550 0.000 0.000 0.276 495 Y C 0.739 176.662 175.900 0.037 0.000 1.167 495 Y CA -0.282 57.836 58.100 0.030 0.000 1.230 495 Y CB -0.430 38.030 38.460 0.001 0.000 1.144 495 Y HN 0.438 nan 8.280 nan 0.000 0.529 496 N N -0.083 118.682 118.700 0.109 0.000 2.725 496 N HA -0.180 4.560 4.740 0.000 0.000 0.249 496 N C -0.607 174.950 175.510 0.078 0.000 1.103 496 N CA 0.529 53.624 53.050 0.075 0.000 0.707 496 N CB -0.410 38.108 38.487 0.052 0.000 1.043 496 N HN 0.139 nan 8.380 nan 0.000 0.553 497 M N -0.298 119.363 119.600 0.101 0.000 2.528 497 M HA 0.421 4.901 4.480 0.000 0.000 0.318 497 M C -2.111 174.243 176.300 0.090 0.000 1.195 497 M CA -2.072 53.273 55.300 0.074 0.000 1.000 497 M CB 0.499 33.136 32.600 0.062 0.000 1.615 497 M HN -0.255 nan 8.290 nan 0.000 0.469 498 P HA 0.003 nan 4.420 nan 0.000 0.264 498 P C -0.637 176.810 177.300 0.244 0.000 1.193 498 P CA 0.041 63.227 63.100 0.145 0.000 0.763 498 P CB 0.249 32.031 31.700 0.135 0.000 0.810 499 Q N 6.804 126.698 119.800 0.157 0.000 2.271 499 Q HA 0.157 4.497 4.340 0.000 0.000 0.273 499 Q C -2.254 173.714 176.000 -0.053 0.000 1.051 499 Q CA -1.885 53.958 55.803 0.068 0.000 0.901 499 Q CB -0.241 28.487 28.738 -0.017 0.000 1.174 499 Q HN 0.288 nan 8.270 nan 0.000 0.385 500 P HA 0.135 nan 4.420 nan 0.000 0.271 500 P C -1.083 175.722 177.300 -0.826 0.000 1.216 500 P CA -0.158 62.514 63.100 -0.713 0.000 0.776 500 P CB 1.065 32.457 31.700 -0.513 0.000 0.881 501 T N 2.701 116.529 114.554 -1.211 0.000 2.971 501 T HA 0.497 4.847 4.350 0.000 0.000 0.304 501 T C -0.647 173.371 174.700 -1.136 0.000 1.038 501 T CA -0.127 61.281 62.100 -1.154 0.000 1.007 501 T CB 0.481 68.358 68.868 -1.652 0.000 1.055 501 T HN 0.044 nan 8.240 nan 0.000 0.451 502 F N 1.847 121.543 119.950 -0.423 0.000 2.397 502 F HA 0.565 5.092 4.527 0.000 0.000 0.331 502 F C 0.644 176.418 175.800 -0.044 0.000 1.090 502 F CA -0.928 56.950 58.000 -0.203 0.000 1.065 502 F CB 1.098 40.022 39.000 -0.127 0.000 1.184 502 F HN 0.403 nan 8.300 nan 0.000 0.499 503 D N 2.875 123.462 120.400 0.311 0.000 2.375 503 D HA 0.228 4.868 4.640 0.000 0.000 0.259 503 D C -1.809 174.627 176.300 0.227 0.000 1.235 503 D CA -0.109 54.051 54.000 0.267 0.000 0.924 503 D CB 0.281 41.261 40.800 0.300 0.000 1.143 503 D HN 0.280 nan 8.370 nan 0.000 0.529 504 F N 3.243 123.196 119.950 0.006 0.000 2.569 504 F HA 0.600 5.128 4.527 0.000 0.000 0.312 504 F C -1.186 174.517 175.800 -0.161 0.000 1.109 504 F CA -0.584 57.350 58.000 -0.108 0.000 0.919 504 F CB 1.358 40.230 39.000 -0.212 0.000 1.211 504 F HN 0.014 nan 8.300 nan 0.000 0.446 505 R N 4.435 124.444 120.500 -0.819 0.000 2.698 505 R HA 0.350 4.690 4.340 0.000 0.000 0.275 505 R C -1.629 174.063 176.300 -1.014 0.000 1.001 505 R CA -0.962 54.765 56.100 -0.622 0.000 0.896 505 R CB 1.684 31.828 30.300 -0.260 0.000 1.218 505 R HN 0.582 nan 8.270 nan 0.000 0.462 506 F N 2.914 122.659 119.950 -0.343 0.000 2.578 506 F HA 0.160 4.687 4.527 0.000 0.000 0.381 506 F C -1.298 174.385 175.800 -0.195 0.000 1.069 506 F CA -1.032 56.851 58.000 -0.195 0.000 1.231 506 F CB -0.150 38.857 39.000 0.012 0.000 1.086 506 F HN 0.130 nan 8.300 nan 0.000 0.564 507 P HA 0.116 nan 4.420 nan 0.000 0.266 507 P C -0.530 176.783 177.300 0.022 0.000 1.195 507 P CA -0.178 62.902 63.100 -0.034 0.000 0.768 507 P CB 0.549 32.242 31.700 -0.012 0.000 0.838 508 A N 2.770 125.589 122.820 -0.001 0.000 2.429 508 A HA 0.516 4.836 4.320 0.000 0.000 0.242 508 A C 1.161 178.758 177.584 0.022 0.000 1.088 508 A CA 0.867 52.909 52.037 0.008 0.000 0.784 508 A CB -1.054 17.943 19.000 -0.005 0.000 1.038 508 A HN 0.837 nan 8.150 nan 0.000 0.501 509 G N 0.029 108.843 108.800 0.024 0.000 2.496 509 G HA2 -0.257 3.703 3.960 0.000 0.000 0.243 509 G HA3 -0.257 3.703 3.960 0.000 0.000 0.243 509 G C 1.034 175.962 174.900 0.048 0.000 1.176 509 G CA 0.735 45.855 45.100 0.033 0.000 0.940 509 G HN 1.002 nan 8.290 nan 0.000 0.573 510 R N -0.173 120.362 120.500 0.059 0.000 2.103 510 R HA -0.095 4.245 4.340 0.000 0.000 0.242 510 R C 2.834 179.190 176.300 0.094 0.000 1.142 510 R CA 2.734 58.880 56.100 0.076 0.000 0.960 510 R CB -0.888 29.459 30.300 0.079 0.000 0.858 510 R HN 0.627 nan 8.270 nan 0.000 0.439 511 T N -0.008 114.604 114.554 0.097 0.000 2.684 511 T HA -0.109 4.241 4.350 0.000 0.000 0.267 511 T C 1.921 176.674 174.700 0.088 0.000 1.036 511 T CA 1.808 63.980 62.100 0.121 0.000 1.148 511 T CB -0.159 68.800 68.868 0.152 0.000 0.863 511 T HN 0.276 nan 8.240 nan 0.000 0.436 512 S N 0.605 116.340 115.700 0.058 0.000 2.371 512 S HA -0.026 4.444 4.470 0.000 0.000 0.224 512 S C 2.020 176.627 174.600 0.011 0.000 1.029 512 S CA 0.929 59.133 58.200 0.006 0.000 0.978 512 S CB -0.192 63.006 63.200 -0.003 0.000 0.833 512 S HN 0.482 nan 8.310 nan 0.000 0.466 513 K N 1.322 121.746 120.400 0.040 0.000 2.032 513 K HA -0.146 4.174 4.320 0.000 0.000 0.209 513 K C 1.933 178.586 176.600 0.088 0.000 1.048 513 K CA 1.488 57.807 56.287 0.053 0.000 0.927 513 K CB -0.121 32.415 32.500 0.061 0.000 0.712 513 K HN 0.367 nan 8.250 nan 0.000 0.441 514 E N -0.133 120.145 120.200 0.129 0.000 2.106 514 E HA -0.170 4.180 4.350 0.000 0.000 0.192 514 E C 1.975 178.663 176.600 0.146 0.000 0.984 514 E CA 0.898 57.431 56.400 0.222 0.000 0.806 514 E CB -0.093 29.771 29.700 0.274 0.000 0.750 514 E HN 0.441 nan 8.360 nan 0.000 0.458 515 A N 1.440 124.315 122.820 0.092 0.000 1.883 515 A HA -0.262 4.058 4.320 0.000 0.000 0.217 515 A C 2.088 179.742 177.584 0.117 0.000 1.186 515 A CA 1.878 53.965 52.037 0.085 0.000 0.624 515 A CB -0.405 18.599 19.000 0.006 0.000 0.822 515 A HN 0.156 nan 8.150 nan 0.000 0.444 516 E N 0.458 120.703 120.200 0.074 0.000 2.107 516 E HA -0.150 4.200 4.350 0.000 0.000 0.191 516 E C 1.345 177.929 176.600 -0.027 0.000 0.982 516 E CA 1.481 57.925 56.400 0.074 0.000 0.809 516 E CB -0.289 29.427 29.700 0.025 0.000 0.756 516 E HN 0.526 nan 8.360 nan 0.000 0.459 517 D N 0.092 120.472 120.400 -0.034 0.000 2.149 517 D HA -0.208 4.432 4.640 0.000 0.000 0.198 517 D C 1.923 177.967 176.300 -0.427 0.000 0.990 517 D CA 1.323 55.282 54.000 -0.068 0.000 0.839 517 D CB -0.351 40.546 40.800 0.161 0.000 0.948 517 D HN 0.340 nan 8.370 nan 0.000 0.460 518 M N -0.240 118.884 119.600 -0.793 0.000 2.086 518 M HA -0.204 4.276 4.480 0.000 0.000 0.261 518 M C 2.106 177.990 176.300 -0.694 0.000 1.067 518 M CA 1.247 55.735 55.300 -1.354 0.000 1.116 518 M CB -0.011 32.022 32.600 -0.945 0.000 1.348 518 M HN -0.038 nan 8.290 nan 0.000 0.407 519 M N 0.448 119.770 119.600 -0.464 0.000 2.073 519 M HA -0.178 4.302 4.480 0.000 0.000 0.258 519 M C 1.814 177.907 176.300 -0.345 0.000 1.070 519 M CA 2.530 57.563 55.300 -0.445 0.000 1.103 519 M CB -1.035 31.382 32.600 -0.305 0.000 1.321 519 M HN 0.286 nan 8.290 nan 0.000 0.405 520 T N 0.033 114.453 114.554 -0.224 0.000 2.720 520 T HA -0.178 4.172 4.350 0.000 0.000 0.268 520 T C 1.501 176.130 174.700 -0.118 0.000 1.037 520 T CA 1.831 63.851 62.100 -0.134 0.000 1.144 520 T CB -0.646 68.187 68.868 -0.058 0.000 0.864 520 T HN 0.545 nan 8.240 nan 0.000 0.444 521 D N 0.515 120.844 120.400 -0.120 0.000 2.123 521 D HA -0.090 4.551 4.640 0.000 0.000 0.196 521 D C 2.074 178.372 176.300 -0.003 0.000 0.992 521 D CA 0.978 55.019 54.000 0.068 0.000 0.833 521 D CB -0.236 40.727 40.800 0.273 0.000 0.954 521 D HN 0.277 nan 8.370 nan 0.000 0.455 522 M N -0.457 118.896 119.600 -0.411 0.000 2.108 522 M HA -0.198 4.282 4.480 0.000 0.000 0.261 522 M C 2.019 178.015 176.300 -0.508 0.000 1.066 522 M CA 1.413 56.188 55.300 -0.875 0.000 1.107 522 M CB -0.160 31.681 32.600 -1.264 0.000 1.356 522 M HN 0.227 nan 8.290 nan 0.000 0.406 523 C N -0.502 118.603 119.300 -0.325 0.000 2.413 523 C HA -0.123 4.337 4.460 0.000 0.000 0.276 523 C C 2.657 177.554 174.990 -0.155 0.000 1.236 523 C CA 0.901 59.837 59.018 -0.138 0.000 1.735 523 C CB -1.069 26.644 27.740 -0.045 0.000 2.031 523 C HN 0.496 nan 8.230 nan 0.000 0.474 524 V N 0.539 120.394 119.914 -0.098 0.000 2.307 524 V HA -0.286 3.834 4.120 0.000 0.000 0.245 524 V C 2.410 178.485 176.094 -0.031 0.000 1.045 524 V CA 2.268 64.541 62.300 -0.045 0.000 1.024 524 V CB -0.662 31.186 31.823 0.042 0.000 0.651 524 V HN 0.586 nan 8.190 nan 0.000 0.449 525 M N 0.710 120.333 119.600 0.039 0.000 2.132 525 M HA -0.159 4.321 4.480 0.000 0.000 0.263 525 M C 2.498 178.703 176.300 -0.158 0.000 1.065 525 M CA 2.259 57.662 55.300 0.171 0.000 1.122 525 M CB -0.203 32.655 32.600 0.431 0.000 1.365 525 M HN 0.557 nan 8.290 nan 0.000 0.411 526 S N 0.578 115.862 115.700 -0.693 0.000 2.400 526 S HA -0.094 4.376 4.470 0.000 0.000 0.232 526 S C 1.959 176.197 174.600 -0.602 0.000 1.025 526 S CA 1.083 58.490 58.200 -1.321 0.000 0.993 526 S CB -0.867 61.262 63.200 -1.786 0.000 0.808 526 S HN 0.573 nan 8.310 nan 0.000 0.478 527 A N 1.898 124.461 122.820 -0.428 0.000 2.070 527 A HA 0.005 4.325 4.320 0.000 0.000 0.220 527 A C 2.159 179.627 177.584 -0.193 0.000 1.159 527 A CA 1.296 53.133 52.037 -0.334 0.000 0.656 527 A CB -0.518 18.307 19.000 -0.291 0.000 0.800 527 A HN 0.660 nan 8.150 nan 0.000 0.453 528 K N -0.674 119.655 120.400 -0.117 0.000 2.288 528 K HA 0.043 4.363 4.320 0.000 0.000 0.201 528 K C 1.120 177.718 176.600 -0.003 0.000 1.048 528 K CA 0.721 56.983 56.287 -0.042 0.000 0.956 528 K CB 0.015 32.525 32.500 0.017 0.000 0.746 528 K HN 0.396 nan 8.250 nan 0.000 0.461 529 I N -0.633 119.953 120.570 0.026 0.000 3.172 529 I HA 0.155 4.325 4.170 0.000 0.000 0.278 529 I C 1.100 177.234 176.117 0.029 0.000 1.174 529 I CA 0.572 61.930 61.300 0.098 0.000 1.445 529 I CB 0.009 38.205 38.000 0.327 0.000 1.175 529 I HN 0.108 nan 8.210 nan 0.000 0.447 530 G N -0.640 108.126 108.800 -0.057 0.000 2.328 530 G HA2 0.442 4.402 3.960 0.000 0.000 0.295 530 G HA3 0.442 4.402 3.960 0.000 0.000 0.295 530 G C -0.585 174.176 174.900 -0.233 0.000 1.413 530 G CA -0.205 44.835 45.100 -0.100 0.000 0.817 530 G HN 0.284 nan 8.290 nan 0.000 0.546 531 G N -1.103 107.554 108.800 -0.238 0.000 2.572 531 G HA2 0.544 4.504 3.960 0.000 0.000 0.261 531 G HA3 0.544 4.504 3.960 0.000 0.000 0.261 531 G C -0.192 174.530 174.900 -0.298 0.000 1.197 531 G CA -0.486 44.385 45.100 -0.382 0.000 0.870 531 G HN 0.477 nan 8.290 nan 0.000 0.548 532 F N -0.734 119.124 119.950 -0.153 0.000 2.553 532 F HA 0.204 4.731 4.527 0.000 0.000 0.356 532 F C 0.695 176.439 175.800 -0.093 0.000 1.142 532 F CA -0.797 57.108 58.000 -0.159 0.000 1.322 532 F CB 0.606 39.501 39.000 -0.175 0.000 1.126 532 F HN 0.164 nan 8.300 nan 0.000 0.599 533 L N 5.849 127.145 121.223 0.122 0.000 2.313 533 L HA 0.408 4.748 4.340 0.000 0.000 0.282 533 L C -2.410 174.512 176.870 0.087 0.000 1.092 533 L CA -1.991 52.899 54.840 0.083 0.000 0.831 533 L CB 0.081 42.188 42.059 0.079 0.000 1.159 533 L HN 0.284 nan 8.230 nan 0.000 0.442 534 P HA 0.189 nan 4.420 nan 0.000 0.262 534 P C 0.621 177.977 177.300 0.093 0.000 1.182 534 P CA 1.068 64.212 63.100 0.073 0.000 0.761 534 P CB 0.648 32.385 31.700 0.061 0.000 0.795 535 G N 2.073 110.922 108.800 0.081 0.000 2.217 535 G HA2 -0.232 3.728 3.960 0.000 0.000 0.246 535 G HA3 -0.232 3.728 3.960 0.000 0.000 0.246 535 G C 0.442 175.434 174.900 0.154 0.000 0.990 535 G CA 0.217 45.386 45.100 0.115 0.000 0.627 535 G HN 0.524 nan 8.290 nan 0.000 0.522 536 S N 0.702 116.464 115.700 0.104 0.000 2.526 536 S HA 0.518 4.988 4.470 0.000 0.000 0.220 536 S C 0.375 174.886 174.600 -0.148 0.000 1.159 536 S CA -0.553 57.690 58.200 0.072 0.000 1.196 536 S CB 0.365 63.588 63.200 0.038 0.000 1.225 536 S HN 0.464 nan 8.310 nan 0.000 0.432 537 L N 2.625 123.754 121.223 -0.156 0.000 2.453 537 L HA 0.366 4.706 4.340 0.000 0.000 0.261 537 L C -1.987 174.586 176.870 -0.496 0.000 1.179 537 L CA -2.233 52.381 54.840 -0.378 0.000 0.813 537 L CB 0.049 41.951 42.059 -0.260 0.000 1.110 537 L HN 0.087 nan 8.230 nan 0.000 0.466 538 P HA -0.001 nan 4.420 nan 0.000 0.264 538 P C -1.487 175.579 177.300 -0.390 0.000 1.193 538 P CA 0.116 62.818 63.100 -0.662 0.000 0.763 538 P CB 0.479 31.688 31.700 -0.819 0.000 0.810 539 Q N 1.713 121.324 119.800 -0.315 0.000 2.472 539 Q HA 0.479 4.819 4.340 0.000 0.000 0.281 539 Q C -1.452 174.401 176.000 -0.246 0.000 0.997 539 Q CA -0.889 54.813 55.803 -0.168 0.000 0.828 539 Q CB 0.714 29.430 28.738 -0.037 0.000 1.443 539 Q HN 0.100 nan 8.270 nan 0.000 0.390 540 F N 1.685 121.580 119.950 -0.091 0.000 2.443 540 F HA 0.296 4.823 4.527 0.000 0.000 0.353 540 F C 0.541 176.313 175.800 -0.045 0.000 1.101 540 F CA -0.295 57.653 58.000 -0.086 0.000 1.226 540 F CB 0.941 39.877 39.000 -0.106 0.000 1.140 540 F HN 0.406 nan 8.300 nan 0.000 0.557 541 M N 2.135 121.790 119.600 0.092 0.000 2.247 541 M HA 0.146 4.626 4.480 0.000 0.000 0.326 541 M C 0.266 176.619 176.300 0.090 0.000 1.134 541 M CA -0.637 54.696 55.300 0.055 0.000 1.136 541 M CB 0.664 33.260 32.600 -0.006 0.000 1.454 541 M HN 0.650 nan 8.290 nan 0.000 0.467 542 E N 2.302 122.530 120.200 0.048 0.000 2.442 542 E HA 0.132 4.482 4.350 0.000 0.000 0.262 542 E C -2.409 174.224 176.600 0.055 0.000 1.004 542 E CA -1.449 54.979 56.400 0.047 0.000 0.928 542 E CB -0.197 29.507 29.700 0.006 0.000 0.937 542 E HN 0.257 nan 8.360 nan 0.000 0.446 543 P HA 0.051 nan 4.420 nan 0.000 0.262 543 P C 0.544 177.775 177.300 -0.115 0.000 1.199 543 P CA 1.201 64.340 63.100 0.065 0.000 0.763 543 P CB 0.727 32.449 31.700 0.036 0.000 0.790 544 G N 2.614 111.347 108.800 -0.112 0.000 2.213 544 G HA2 -0.312 3.648 3.960 0.000 0.000 0.236 544 G HA3 -0.312 3.648 3.960 0.000 0.000 0.236 544 G C 0.753 175.614 174.900 -0.065 0.000 0.991 544 G CA 0.159 45.151 45.100 -0.181 0.000 0.629 544 G HN 0.520 nan 8.290 nan 0.000 0.517 545 L N 1.094 122.303 121.223 -0.024 0.000 2.127 545 L HA 0.122 4.462 4.340 0.000 0.000 0.211 545 L C 2.833 179.730 176.870 0.045 0.000 1.089 545 L CA 2.544 57.382 54.840 -0.003 0.000 0.757 545 L CB -0.343 41.706 42.059 -0.015 0.000 0.899 545 L HN 0.480 nan 8.230 nan 0.000 0.434 546 V N -0.108 119.857 119.914 0.085 0.000 2.568 546 V HA -0.198 3.922 4.120 0.000 0.000 0.253 546 V C 1.537 177.747 176.094 0.193 0.000 1.072 546 V CA 1.312 63.719 62.300 0.180 0.000 1.084 546 V CB -0.347 31.623 31.823 0.244 0.000 0.676 546 V HN 0.504 nan 8.190 nan 0.000 0.469 547 L N 0.359 121.654 121.223 0.120 0.000 3.634 547 L HA -0.191 4.149 4.340 0.000 0.000 0.423 547 L C 0.122 177.087 176.870 0.158 0.000 1.253 547 L CA 0.603 55.514 54.840 0.118 0.000 0.885 547 L CB -2.025 40.120 42.059 0.143 0.000 1.789 547 L HN 0.446 nan 8.230 nan 0.000 0.904 548 N N 0.575 119.375 118.700 0.166 0.000 2.480 548 N HA 0.270 5.010 4.740 0.000 0.000 0.281 548 N C -0.078 175.564 175.510 0.219 0.000 1.381 548 N CA -0.381 52.810 53.050 0.235 0.000 0.903 548 N CB 0.595 39.265 38.487 0.306 0.000 1.274 548 N HN 0.238 nan 8.380 nan 0.000 0.505 549 L N 0.966 122.263 121.223 0.124 0.000 2.525 549 L HA 0.336 4.676 4.340 0.000 0.000 0.278 549 L C 0.762 177.741 176.870 0.182 0.000 1.218 549 L CA 0.614 55.506 54.840 0.086 0.000 0.878 549 L CB 0.150 42.233 42.059 0.039 0.000 1.127 549 L HN 0.222 nan 8.230 nan 0.000 0.492 550 G N 1.747 110.670 108.800 0.205 0.000 2.733 550 G HA2 0.527 4.487 3.960 0.000 0.000 0.288 550 G HA3 0.527 4.487 3.960 0.000 0.000 0.288 550 G C 0.311 175.308 174.900 0.161 0.000 1.373 550 G CA -0.310 44.940 45.100 0.250 0.000 0.895 550 G HN 1.315 nan 8.290 nan 0.000 0.479 551 G N -1.217 107.651 108.800 0.114 0.000 2.166 551 G HA2 -0.247 3.713 3.960 0.000 0.000 0.260 551 G HA3 -0.247 3.713 3.960 0.000 0.000 0.260 551 G C 1.329 176.289 174.900 0.101 0.000 0.986 551 G CA 1.715 46.885 45.100 0.116 0.000 0.683 551 G HN 1.877 nan 8.290 nan 0.000 0.527 552 T N -2.224 112.340 114.554 0.017 0.000 2.962 552 T HA 0.103 4.453 4.350 0.000 0.000 0.270 552 T C 1.094 175.879 174.700 0.142 0.000 1.088 552 T CA 1.846 63.997 62.100 0.085 0.000 1.127 552 T CB -0.272 68.654 68.868 0.096 0.000 0.883 552 T HN 1.495 nan 8.240 nan 0.000 0.493 553 H N -0.245 118.899 119.070 0.122 0.000 2.823 553 H HA 0.452 5.008 4.556 0.000 0.000 0.222 553 H C -0.114 175.258 175.328 0.073 0.000 1.414 553 H CA -1.341 54.755 56.048 0.080 0.000 1.289 553 H CB -0.356 29.418 29.762 0.020 0.000 1.970 553 H HN 0.349 nan 8.280 nan 0.000 0.517 554 R N 0.577 121.167 120.500 0.150 0.000 2.641 554 R HA 0.305 4.646 4.340 0.000 0.000 0.269 554 R C -0.310 176.054 176.300 0.106 0.000 1.074 554 R CA -0.726 55.435 56.100 0.101 0.000 1.133 554 R CB 0.989 31.341 30.300 0.087 0.000 1.029 554 R HN 0.451 nan 8.270 nan 0.000 0.488 555 M N 1.251 120.889 119.600 0.063 0.000 2.274 555 M HA 0.421 4.901 4.480 0.000 0.000 0.344 555 M C -0.389 175.909 176.300 -0.003 0.000 1.161 555 M CA 0.387 55.700 55.300 0.021 0.000 1.126 555 M CB 1.452 34.040 32.600 -0.020 0.000 1.522 555 M HN 0.953 nan 8.290 nan 0.000 0.461 556 G N 2.016 110.816 108.800 -0.001 0.000 2.495 556 G HA2 0.392 4.352 3.960 0.000 0.000 0.294 556 G HA3 0.392 4.352 3.960 0.000 0.000 0.294 556 G C -0.942 173.946 174.900 -0.019 0.000 1.397 556 G CA -0.708 44.346 45.100 -0.077 0.000 0.790 556 G HN 0.668 nan 8.290 nan 0.000 0.486 557 F N -0.074 119.978 119.950 0.169 0.000 2.234 557 F HA 0.265 4.792 4.527 0.000 0.000 0.296 557 F C 1.116 177.044 175.800 0.214 0.000 1.089 557 F CA 1.051 59.153 58.000 0.170 0.000 1.343 557 F CB 0.409 39.467 39.000 0.097 0.000 1.040 557 F HN 0.382 nan 8.300 nan 0.000 0.498 558 D N -0.820 119.740 120.400 0.267 0.000 2.593 558 D HA 0.127 4.767 4.640 0.000 0.000 0.251 558 D C 0.765 176.902 176.300 -0.270 0.000 1.140 558 D CA -0.218 53.788 54.000 0.010 0.000 0.855 558 D CB 1.217 42.039 40.800 0.036 0.000 1.267 558 D HN 0.092 nan 8.370 nan 0.000 0.532 559 E N 3.260 122.948 120.200 -0.853 0.000 2.065 559 E HA -0.303 4.047 4.350 0.000 0.000 0.201 559 E C 1.325 177.736 176.600 -0.315 0.000 1.016 559 E CA 1.323 57.191 56.400 -0.886 0.000 0.818 559 E CB 0.271 29.323 29.700 -1.079 0.000 0.749 559 E HN 0.429 nan 8.360 nan 0.000 0.453 560 K N 0.050 120.316 120.400 -0.223 0.000 2.044 560 K HA -0.117 4.203 4.320 0.000 0.000 0.204 560 K C 1.984 178.549 176.600 -0.059 0.000 1.049 560 K CA 1.300 57.526 56.287 -0.101 0.000 0.945 560 K CB 0.057 32.514 32.500 -0.072 0.000 0.724 560 K HN 0.124 nan 8.250 nan 0.000 0.440 561 E N 0.253 120.423 120.200 -0.050 0.000 2.208 561 E HA -0.114 4.236 4.350 0.000 0.000 0.193 561 E C 0.597 177.192 176.600 -0.009 0.000 0.988 561 E CA 0.831 57.224 56.400 -0.012 0.000 0.828 561 E CB 0.208 29.915 29.700 0.011 0.000 0.763 561 E HN 0.309 nan 8.360 nan 0.000 0.478 562 D N 0.179 120.566 120.400 -0.022 0.000 2.402 562 D HA 0.063 4.703 4.640 0.000 0.000 0.216 562 D C -0.681 175.550 176.300 -0.115 0.000 1.128 562 D CA -0.046 53.935 54.000 -0.031 0.000 0.833 562 D CB 0.150 40.969 40.800 0.032 0.000 0.971 562 D HN 0.052 nan 8.370 nan 0.000 0.503 563 N N 0.653 119.281 118.700 -0.120 0.000 2.667 563 N HA -0.193 4.547 4.740 0.000 0.000 0.263 563 N C -0.236 175.196 175.510 -0.130 0.000 1.038 563 N CA 0.655 53.609 53.050 -0.161 0.000 0.749 563 N CB -1.431 36.811 38.487 -0.408 0.000 0.892 563 N HN 0.413 nan 8.380 nan 0.000 0.546 564 C N -3.480 115.820 119.300 -0.001 0.000 3.318 564 C HA 0.811 5.271 4.460 0.000 0.000 0.329 564 C C 1.253 176.403 174.990 0.267 0.000 1.449 564 C CA -0.543 58.548 59.018 0.121 0.000 1.397 564 C CB 1.592 29.423 27.740 0.151 0.000 1.810 564 C HN 0.487 nan 8.230 nan 0.000 0.449 565 C N 0.030 119.537 119.300 0.345 0.000 3.276 565 C HA 0.486 4.946 4.460 0.000 0.000 0.512 565 C C 0.616 175.731 174.990 0.209 0.000 1.376 565 C CA 0.676 59.891 59.018 0.329 0.000 2.319 565 C CB -0.175 27.678 27.740 0.189 0.000 3.330 565 C HN 0.986 nan 8.230 nan 0.000 0.596 566 V N 1.801 121.727 119.914 0.020 0.000 2.864 566 V HA 0.710 4.830 4.120 0.000 0.000 0.314 566 V C -0.581 175.195 176.094 -0.530 0.000 1.073 566 V CA -0.575 61.506 62.300 -0.366 0.000 0.956 566 V CB 1.423 33.137 31.823 -0.182 0.000 1.023 566 V HN 0.460 nan 8.190 nan 0.000 0.435 567 N N 1.189 119.382 118.700 -0.845 0.000 2.374 567 N HA 0.203 4.943 4.740 0.000 0.000 0.284 567 N C 1.116 176.485 175.510 -0.235 0.000 1.280 567 N CA 0.299 53.071 53.050 -0.464 0.000 0.963 567 N CB -0.173 38.046 38.487 -0.447 0.000 1.141 567 N HN 0.939 nan 8.380 nan 0.000 0.565 568 T N -4.658 109.804 114.554 -0.153 0.000 3.113 568 T HA -0.016 4.334 4.350 0.000 0.000 0.263 568 T C 0.133 174.758 174.700 -0.125 0.000 1.143 568 T CA 0.725 62.741 62.100 -0.141 0.000 1.090 568 T CB -0.416 68.390 68.868 -0.103 0.000 0.922 568 T HN 0.451 nan 8.240 nan 0.000 0.521 569 D N 1.037 121.353 120.400 -0.139 0.000 2.328 569 D HA 0.186 4.826 4.640 0.000 0.000 0.221 569 D C 0.590 176.893 176.300 0.005 0.000 1.072 569 D CA 0.131 54.068 54.000 -0.105 0.000 0.850 569 D CB 0.101 40.730 40.800 -0.285 0.000 0.922 569 D HN 0.351 nan 8.370 nan 0.000 0.516 570 S N 0.268 115.941 115.700 -0.045 0.000 3.476 570 S HA -0.265 4.205 4.470 0.000 0.000 0.309 570 S C 0.583 175.169 174.600 -0.022 0.000 1.222 570 S CA 0.472 58.679 58.200 0.012 0.000 0.922 570 S CB -1.372 61.911 63.200 0.137 0.000 1.023 570 S HN 0.470 nan 8.310 nan 0.000 0.591 571 R N 1.236 121.602 120.500 -0.223 0.000 2.308 571 R HA 0.432 4.772 4.340 0.000 0.000 0.305 571 R C -0.008 175.983 176.300 -0.516 0.000 1.053 571 R CA -0.385 55.379 56.100 -0.561 0.000 0.957 571 R CB 0.624 30.547 30.300 -0.628 0.000 1.022 571 R HN 0.141 nan 8.270 nan 0.000 0.461 572 V N 6.348 125.998 119.914 -0.441 0.000 2.540 572 V HA -0.024 4.096 4.120 0.000 0.000 0.297 572 V C 0.218 176.254 176.094 -0.098 0.000 1.024 572 V CA 0.308 62.441 62.300 -0.277 0.000 1.105 572 V CB -0.197 31.444 31.823 -0.302 0.000 0.938 572 V HN 0.560 nan 8.190 nan 0.000 0.482 573 F N 3.803 123.792 119.950 0.065 0.000 2.629 573 F HA 0.387 4.914 4.527 0.000 0.000 0.377 573 F C 1.601 177.534 175.800 0.221 0.000 1.101 573 F CA 1.555 59.619 58.000 0.107 0.000 1.301 573 F CB -0.047 39.007 39.000 0.091 0.000 1.062 573 F HN 0.790 nan 8.300 nan 0.000 0.583 574 G N 2.096 111.084 108.800 0.314 0.000 2.284 574 G HA2 -0.308 3.652 3.960 0.000 0.000 0.247 574 G HA3 -0.308 3.652 3.960 0.000 0.000 0.247 574 G C -0.059 174.821 174.900 -0.033 0.000 1.012 574 G CA -0.412 44.768 45.100 0.133 0.000 0.618 574 G HN 0.435 nan 8.290 nan 0.000 0.521 575 F N 1.531 121.503 119.950 0.037 0.000 2.415 575 F HA 0.577 5.104 4.527 0.000 0.000 0.348 575 F C 1.524 177.309 175.800 -0.024 0.000 1.119 575 F CA -0.930 57.077 58.000 0.012 0.000 1.069 575 F CB 1.589 40.593 39.000 0.008 0.000 1.124 575 F HN -0.214 nan 8.300 nan 0.000 0.472 576 K N 1.729 122.227 120.400 0.162 0.000 2.148 576 K HA -0.101 4.219 4.320 0.000 0.000 0.204 576 K C 0.758 177.567 176.600 0.348 0.000 1.050 576 K CA 1.173 57.595 56.287 0.226 0.000 0.942 576 K CB -0.050 32.589 32.500 0.231 0.000 0.724 576 K HN 0.639 nan 8.250 nan 0.000 0.446 577 N N 0.033 118.905 118.700 0.287 0.000 2.305 577 N HA 0.047 4.787 4.740 0.000 0.000 0.248 577 N C -0.710 174.900 175.510 0.166 0.000 1.290 577 N CA -0.323 52.935 53.050 0.346 0.000 0.873 577 N CB -0.021 38.728 38.487 0.437 0.000 1.261 577 N HN -0.046 nan 8.380 nan 0.000 0.504 578 L N 0.668 121.777 121.223 -0.191 0.000 2.349 578 L HA 0.689 5.029 4.340 0.000 0.000 0.278 578 L C -1.831 174.673 176.870 -0.610 0.000 0.996 578 L CA -0.597 54.105 54.840 -0.229 0.000 0.825 578 L CB 0.911 42.829 42.059 -0.235 0.000 1.243 578 L HN -0.035 nan 8.230 nan 0.000 0.412 579 F N 4.962 124.833 119.950 -0.132 0.000 2.551 579 F HA 0.665 5.192 4.527 0.000 0.000 0.316 579 F C -0.568 175.086 175.800 -0.244 0.000 1.089 579 F CA -0.685 57.219 58.000 -0.161 0.000 0.915 579 F CB 1.845 40.781 39.000 -0.107 0.000 1.186 579 F HN 0.187 nan 8.300 nan 0.000 0.456 580 L N 1.979 123.164 121.223 -0.064 0.000 2.346 580 L HA 0.891 5.231 4.340 0.000 0.000 0.276 580 L C 0.078 176.963 176.870 0.025 0.000 1.006 580 L CA -0.813 53.920 54.840 -0.178 0.000 0.817 580 L CB 1.905 43.699 42.059 -0.440 0.000 1.272 580 L HN 0.783 nan 8.230 nan 0.000 0.421 581 G N 0.304 109.134 108.800 0.050 0.000 2.519 581 G HA2 0.805 4.765 3.960 0.000 0.000 0.307 581 G HA3 0.805 4.765 3.960 0.000 0.000 0.307 581 G C -0.537 174.488 174.900 0.207 0.000 1.266 581 G CA -0.304 44.925 45.100 0.214 0.000 0.970 581 G HN 0.965 nan 8.290 nan 0.000 0.481 582 G N -1.296 107.617 108.800 0.187 0.000 2.347 582 G HA2 0.092 4.052 3.960 0.000 0.000 0.341 582 G HA3 0.092 4.052 3.960 0.000 0.000 0.341 582 G C 0.760 175.709 174.900 0.083 0.000 1.287 582 G CA 0.086 45.269 45.100 0.137 0.000 0.984 582 G HN 1.138 nan 8.290 nan 0.000 0.526 583 C N 0.624 119.951 119.300 0.045 0.000 2.419 583 C HA 0.163 4.624 4.460 0.000 0.000 0.281 583 C C 3.114 178.081 174.990 -0.037 0.000 1.336 583 C CA 1.893 60.920 59.018 0.015 0.000 1.770 583 C CB -1.399 26.385 27.740 0.074 0.000 1.929 583 C HN 1.310 nan 8.230 nan 0.000 0.509 584 G N 1.340 110.026 108.800 -0.190 0.000 2.475 584 G HA2 -0.267 3.693 3.960 0.000 0.000 0.220 584 G HA3 -0.267 3.693 3.960 0.000 0.000 0.220 584 G C 1.412 175.950 174.900 -0.603 0.000 1.125 584 G CA 1.077 45.768 45.100 -0.682 0.000 0.755 584 G HN 0.565 nan 8.290 nan 0.000 0.565 585 N N 0.317 118.889 118.700 -0.212 0.000 2.331 585 N HA 0.018 4.758 4.740 0.000 0.000 0.180 585 N C 0.927 176.454 175.510 0.029 0.000 1.019 585 N CA 0.192 53.260 53.050 0.029 0.000 0.881 585 N CB -0.020 38.531 38.487 0.107 0.000 0.972 585 N HN 0.318 nan 8.380 nan 0.000 0.435 586 I N 2.984 123.569 120.570 0.025 0.000 2.436 586 I HA 0.043 4.213 4.170 0.000 0.000 0.289 586 I C -1.361 174.844 176.117 0.148 0.000 1.083 586 I CA -1.021 60.319 61.300 0.068 0.000 1.372 586 I CB 1.274 39.260 38.000 -0.023 0.000 1.408 586 I HN -0.056 nan 8.210 nan 0.000 0.516 587 P HA 0.063 nan 4.420 nan 0.000 0.267 587 P C 0.245 177.635 177.300 0.150 0.000 1.289 587 P CA 0.190 63.361 63.100 0.119 0.000 0.866 587 P CB 0.211 31.941 31.700 0.050 0.000 1.309 588 T N -2.235 112.442 114.554 0.205 0.000 2.897 588 T HA 0.680 5.031 4.350 0.000 0.000 0.278 588 T C 0.196 175.033 174.700 0.229 0.000 0.981 588 T CA -0.867 61.342 62.100 0.183 0.000 0.973 588 T CB 1.166 70.121 68.868 0.145 0.000 1.092 588 T HN 0.054 nan 8.240 nan 0.000 0.543 589 A N 1.805 124.693 122.820 0.112 0.000 2.310 589 A HA 0.597 4.917 4.320 0.000 0.000 0.300 589 A C -0.661 176.892 177.584 -0.052 0.000 1.269 589 A CA -0.852 51.201 52.037 0.025 0.000 0.909 589 A CB -0.917 18.116 19.000 0.054 0.000 1.144 589 A HN 0.880 nan 8.150 nan 0.000 0.540 590 Y N -0.057 120.152 120.300 -0.152 0.000 2.442 590 Y HA 0.695 5.245 4.550 0.000 0.000 0.344 590 Y C 0.720 176.498 175.900 -0.202 0.000 0.976 590 Y CA -0.676 57.150 58.100 -0.457 0.000 1.040 590 Y CB 1.376 39.365 38.460 -0.785 0.000 1.228 590 Y HN 0.390 nan 8.280 nan 0.000 0.451 591 G N 1.207 109.935 108.800 -0.120 0.000 2.576 591 G HA2 0.339 4.299 3.960 0.000 0.000 0.210 591 G HA3 0.339 4.299 3.960 0.000 0.000 0.210 591 G C 0.541 175.530 174.900 0.148 0.000 1.143 591 G CA 0.190 45.410 45.100 0.201 0.000 0.819 591 G HN 0.963 nan 8.290 nan 0.000 0.534 592 A N 0.734 123.486 122.820 -0.114 0.000 2.386 592 A HA 0.435 4.755 4.320 0.000 0.000 0.246 592 A C -0.043 177.520 177.584 -0.035 0.000 1.089 592 A CA -0.413 51.453 52.037 -0.284 0.000 0.790 592 A CB 0.002 18.840 19.000 -0.271 0.000 1.042 592 A HN 0.394 nan 8.150 nan 0.000 0.497 593 N N 1.991 120.565 118.700 -0.209 0.000 2.468 593 N HA 0.254 4.994 4.740 0.000 0.000 0.265 593 N C -2.009 173.599 175.510 0.164 0.000 1.199 593 N CA -0.967 52.075 53.050 -0.014 0.000 0.928 593 N CB 0.438 38.877 38.487 -0.080 0.000 1.059 593 N HN 0.412 nan 8.380 nan 0.000 0.467 594 P HA -0.030 nan 4.420 nan 0.000 0.236 594 P C 0.498 177.770 177.300 -0.047 0.000 1.177 594 P CA 0.745 63.856 63.100 0.018 0.000 0.773 594 P CB 0.271 31.951 31.700 -0.034 0.000 0.878 595 T N 0.969 115.572 114.554 0.082 0.000 2.746 595 T HA -0.143 4.208 4.350 0.000 0.000 0.267 595 T C 1.774 176.587 174.700 0.190 0.000 1.039 595 T CA 1.015 63.191 62.100 0.126 0.000 1.142 595 T CB -0.836 68.118 68.868 0.143 0.000 0.866 595 T HN 0.025 nan 8.240 nan 0.000 0.444 596 L N 1.032 122.389 121.223 0.223 0.000 2.083 596 L HA -0.086 4.254 4.340 0.000 0.000 0.209 596 L C 2.503 179.469 176.870 0.160 0.000 1.083 596 L CA 1.721 56.731 54.840 0.284 0.000 0.752 596 L CB -0.999 41.212 42.059 0.253 0.000 0.899 596 L HN 0.196 nan 8.230 nan 0.000 0.433 597 T N -0.482 114.038 114.554 -0.056 0.000 2.777 597 T HA -0.111 4.239 4.350 0.000 0.000 0.266 597 T C 1.917 176.542 174.700 -0.126 0.000 1.040 597 T CA 1.182 63.142 62.100 -0.233 0.000 1.141 597 T CB -0.479 67.809 68.868 -0.966 0.000 0.868 597 T HN 0.504 nan 8.240 nan 0.000 0.444 598 A N 1.635 124.390 122.820 -0.109 0.000 1.908 598 A HA -0.100 4.220 4.320 0.000 0.000 0.218 598 A C 2.323 179.878 177.584 -0.048 0.000 1.181 598 A CA 1.925 53.932 52.037 -0.049 0.000 0.627 598 A CB -0.761 18.231 19.000 -0.013 0.000 0.818 598 A HN 0.528 nan 8.150 nan 0.000 0.445 599 M N -0.228 119.352 119.600 -0.033 0.000 2.086 599 M HA -0.153 4.327 4.480 0.000 0.000 0.261 599 M C 2.163 178.377 176.300 -0.142 0.000 1.067 599 M CA 2.180 57.428 55.300 -0.087 0.000 1.116 599 M CB -0.192 32.356 32.600 -0.086 0.000 1.348 599 M HN 0.376 nan 8.290 nan 0.000 0.407 600 S N 1.213 116.831 115.700 -0.135 0.000 2.374 600 S HA -0.167 4.303 4.470 0.000 0.000 0.227 600 S C 1.761 176.170 174.600 -0.319 0.000 1.037 600 S CA 1.604 59.657 58.200 -0.246 0.000 1.024 600 S CB -0.633 62.374 63.200 -0.321 0.000 0.861 600 S HN 0.529 nan 8.310 nan 0.000 0.456 601 L N 0.962 122.037 121.223 -0.247 0.000 2.083 601 L HA -0.112 4.228 4.340 0.000 0.000 0.209 601 L C 2.780 179.513 176.870 -0.227 0.000 1.083 601 L CA 1.099 55.795 54.840 -0.240 0.000 0.752 601 L CB -0.704 41.287 42.059 -0.113 0.000 0.899 601 L HN 0.332 nan 8.230 nan 0.000 0.433 602 A N 0.387 123.063 122.820 -0.240 0.000 1.902 602 A HA -0.162 4.158 4.320 0.000 0.000 0.217 602 A C 2.218 179.471 177.584 -0.551 0.000 1.181 602 A CA 1.359 53.128 52.037 -0.447 0.000 0.623 602 A CB -0.599 18.137 19.000 -0.439 0.000 0.818 602 A HN 0.335 nan 8.150 nan 0.000 0.443 603 I N -0.467 119.882 120.570 -0.368 0.000 2.163 603 I HA -0.297 3.873 4.170 0.000 0.000 0.243 603 I C 2.567 178.520 176.117 -0.274 0.000 1.085 603 I CA 1.962 63.085 61.300 -0.295 0.000 1.347 603 I CB -0.247 37.603 38.000 -0.250 0.000 1.044 603 I HN 0.385 nan 8.210 nan 0.000 0.408 604 K N 0.471 120.704 120.400 -0.278 0.000 2.057 604 K HA -0.215 4.105 4.320 0.000 0.000 0.207 604 K C 2.376 178.884 176.600 -0.154 0.000 1.049 604 K CA 1.789 57.942 56.287 -0.223 0.000 0.931 604 K CB -0.123 32.213 32.500 -0.274 0.000 0.714 604 K HN 0.118 nan 8.250 nan 0.000 0.440 605 S N 0.129 115.721 115.700 -0.180 0.000 2.359 605 S HA -0.189 4.281 4.470 0.000 0.000 0.224 605 S C 2.083 176.576 174.600 -0.178 0.000 1.035 605 S CA 1.573 59.704 58.200 -0.115 0.000 1.018 605 S CB -0.505 62.656 63.200 -0.064 0.000 0.876 605 S HN 0.571 nan 8.310 nan 0.000 0.448 606 C N 1.402 120.510 119.300 -0.321 0.000 2.422 606 C HA -0.023 4.437 4.460 0.000 0.000 0.279 606 C C 2.510 177.413 174.990 -0.146 0.000 1.305 606 C CA 0.756 59.607 59.018 -0.278 0.000 1.757 606 C CB -1.529 26.009 27.740 -0.337 0.000 1.962 606 C HN 0.680 nan 8.230 nan 0.000 0.499 607 E N -0.577 119.560 120.200 -0.105 0.000 2.058 607 E HA -0.268 4.082 4.350 0.000 0.000 0.194 607 E C 1.860 178.470 176.600 0.017 0.000 0.997 607 E CA 1.667 58.040 56.400 -0.044 0.000 0.801 607 E CB -0.332 29.338 29.700 -0.051 0.000 0.746 607 E HN 0.837 nan 8.360 nan 0.000 0.450 608 Y N 1.207 121.471 120.300 -0.059 0.000 2.145 608 Y HA -0.216 4.334 4.550 0.000 0.000 0.286 608 Y C 1.972 177.903 175.900 0.051 0.000 1.145 608 Y CA 1.491 59.601 58.100 0.016 0.000 1.148 608 Y CB -0.110 38.395 38.460 0.075 0.000 0.981 608 Y HN -0.045 nan 8.280 nan 0.000 0.507 609 I N 0.388 120.999 120.570 0.068 0.000 2.163 609 I HA -0.353 3.817 4.170 0.000 0.000 0.243 609 I C 2.324 178.475 176.117 0.056 0.000 1.085 609 I CA 1.756 63.064 61.300 0.014 0.000 1.347 609 I CB -0.441 37.352 38.000 -0.344 0.000 1.044 609 I HN 0.181 nan 8.210 nan 0.000 0.408 610 K N 0.367 120.764 120.400 -0.004 0.000 2.209 610 K HA -0.207 4.113 4.320 0.000 0.000 0.204 610 K C 1.983 178.628 176.600 0.075 0.000 1.048 610 K CA 1.279 57.633 56.287 0.113 0.000 0.940 610 K CB -0.117 32.428 32.500 0.076 0.000 0.729 610 K HN 0.460 nan 8.250 nan 0.000 0.451 611 Q N -0.366 119.407 119.800 -0.044 0.000 2.424 611 Q HA 0.066 4.406 4.340 0.000 0.000 0.204 611 Q C 0.909 176.798 176.000 -0.186 0.000 0.933 611 Q CA 0.479 56.218 55.803 -0.105 0.000 0.929 611 Q CB 0.460 29.114 28.738 -0.140 0.000 1.037 611 Q HN 0.269 nan 8.270 nan 0.000 0.511 612 N N -0.997 117.565 118.700 -0.229 0.000 2.143 612 N HA 0.163 4.903 4.740 0.000 0.000 0.222 612 N C -0.999 174.181 175.510 -0.549 0.000 1.264 612 N CA 0.210 53.003 53.050 -0.428 0.000 0.897 612 N CB 1.065 39.119 38.487 -0.722 0.000 1.092 612 N HN 0.003 nan 8.380 nan 0.000 0.516 613 F N 0.460 120.432 119.950 0.037 0.000 2.578 613 F HA 0.339 4.866 4.527 0.000 0.000 0.311 613 F C 0.021 175.951 175.800 0.216 0.000 1.094 613 F CA -0.640 57.443 58.000 0.139 0.000 0.923 613 F CB 1.971 41.070 39.000 0.166 0.000 1.230 613 F HN -0.367 nan 8.300 nan 0.000 0.450 614 T N 3.809 118.537 114.554 0.290 0.000 2.771 614 T HA 0.431 4.781 4.350 0.000 0.000 0.281 614 T C -2.595 172.111 174.700 0.010 0.000 0.982 614 T CA -1.476 60.680 62.100 0.094 0.000 0.978 614 T CB 1.238 70.125 68.868 0.031 0.000 0.930 614 T HN 0.120 nan 8.240 nan 0.000 0.447 615 P HA 0.161 nan 4.420 nan 0.000 0.269 615 P C 0.008 177.223 177.300 -0.141 0.000 1.209 615 P CA -0.469 62.363 63.100 -0.446 0.000 0.776 615 P CB 0.309 31.564 31.700 -0.741 0.000 0.876 616 S N 2.711 118.378 115.700 -0.055 0.000 2.584 616 S HA 0.333 4.803 4.470 0.000 0.000 0.270 616 S C -2.264 172.337 174.600 0.002 0.000 1.346 616 S CA -0.991 57.205 58.200 -0.007 0.000 1.018 616 S CB -0.853 62.356 63.200 0.015 0.000 0.899 616 S HN 0.268 nan 8.310 nan 0.000 0.542 617 P HA 0.185 nan 4.420 nan 0.000 0.276 617 P C -0.736 176.656 177.300 0.154 0.000 1.230 617 P CA -0.454 62.682 63.100 0.061 0.000 0.776 617 P CB 0.088 31.812 31.700 0.039 0.000 0.888 618 F N 3.723 123.656 119.950 -0.027 0.000 2.626 618 F HA 0.201 4.728 4.527 0.000 0.000 0.353 618 F C 0.627 176.419 175.800 -0.014 0.000 1.230 618 F CA -0.557 57.433 58.000 -0.016 0.000 1.298 618 F CB -1.150 37.843 39.000 -0.012 0.000 1.670 618 F HN 0.142 nan 8.300 nan 0.000 0.633 619 T N 0.000 114.654 114.554 0.167 0.000 3.816 619 T HA 0.000 4.350 4.350 0.000 0.000 0.228 619 T CA 0.000 62.112 62.100 0.021 0.000 1.349 619 T CB 0.000 68.887 68.868 0.032 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658