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 2gjx_1_G DATA FIRST_RESID 54 DATA SEQUENCE PALWPLPLSV KMTPNLLHLA PENFYISHSP NSTAGPScTL LEEAFRRYHG DATA SEQUENCE YIFGXXXXXX XXXXXXXXTQ VQQLLVSITL QSEcDAFPNI SSDESYTLLV DATA SEQUENCE KEPVAVLKAN RVWGALRGLE TFSQLVYQDS YGTFTINEST IIDSPRFSHR DATA SEQUENCE GILIDTSRHY LPVKIILKTL DAMAFNKFNV LHWHIVDDQS FPYQSITFPE DATA SEQUENCE LSNKGSYSLS HVYTPNDVRM VIEYARLRGI RVLPEFDTPG HTLSWGKGQK DATA SEQUENCE DLLTPcYSXX XXXDSFGPIN PTLNTTYSFL TTFFKEISEV FPDQFIHLGG DATA SEQUENCE DEVEFKcWES NPKIQDFMRQ KGFGTDFKKL ESFYIQKVLD IIATINKGSI DATA SEQUENCE VWQEVFDDKA KLAPGTIVEV WKDSAYPEEL SRVTASGFPV ILSAPWYLDL DATA SEQUENCE ISYGQDWRKY YKVEPLDFGG TQKQKQLFIG GEACLWGEYV DATNLTPRLW DATA SEQUENCE PRASAVGERL WSSKDVRDMD DAYDRLTRHR cRMVERGIAA QPLYAGYcN 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 54 P HA 0.000 nan 4.420 nan 0.000 0.216 54 P C 0.000 177.262 177.300 -0.063 0.000 1.155 54 P CA 0.000 63.046 63.100 -0.090 0.000 0.800 54 P CB 0.000 31.609 31.700 -0.151 0.000 0.726 55 A N 1.664 124.433 122.820 -0.084 0.000 3.077 55 A HA 0.479 4.799 4.320 -0.000 0.000 0.255 55 A C 0.130 177.730 177.584 0.028 0.000 1.728 55 A CA -0.020 51.994 52.037 -0.037 0.000 1.383 55 A CB -1.184 17.767 19.000 -0.081 0.000 1.097 55 A HN 0.204 nan 8.150 nan 0.000 0.634 56 L N 1.166 122.416 121.223 0.044 0.000 2.350 56 L HA 0.460 4.800 4.340 -0.000 0.000 0.275 56 L C -0.156 176.778 176.870 0.107 0.000 1.099 56 L CA -0.406 54.467 54.840 0.055 0.000 0.808 56 L CB 1.065 43.140 42.059 0.026 0.000 1.149 56 L HN 0.664 nan 8.230 nan 0.000 0.442 57 W N 5.901 127.076 121.300 -0.208 0.000 3.544 57 W HA 0.292 4.952 4.660 -0.000 0.000 0.326 57 W C -2.831 173.447 176.519 -0.402 0.000 1.137 57 W CA -1.359 55.762 57.345 -0.373 0.000 1.252 57 W CB 2.208 31.223 29.460 -0.741 0.000 1.302 57 W HN 0.219 nan 8.180 nan 0.000 0.467 58 P HA 0.094 nan 4.420 nan 0.000 0.274 58 P C -0.414 176.646 177.300 -0.399 0.000 1.246 58 P CA -0.476 62.149 63.100 -0.792 0.000 0.795 58 P CB 1.403 32.758 31.700 -0.574 0.000 1.006 59 L N 3.467 124.485 121.223 -0.342 0.000 2.477 59 L HA 0.252 4.592 4.340 -0.000 0.000 0.272 59 L C -2.206 174.694 176.870 0.050 0.000 1.157 59 L CA -1.637 53.140 54.840 -0.105 0.000 0.889 59 L CB -0.745 41.262 42.059 -0.087 0.000 1.158 59 L HN 0.257 nan 8.230 nan 0.000 0.473 60 P HA -0.050 nan 4.420 nan 0.000 0.271 60 P C 0.549 177.914 177.300 0.108 0.000 1.238 60 P CA -0.345 62.876 63.100 0.201 0.000 0.794 60 P CB 0.508 32.295 31.700 0.144 0.000 0.959 61 L N 0.482 121.740 121.223 0.058 0.000 2.027 61 L HA -0.012 4.328 4.340 -0.000 0.000 0.206 61 L C 0.753 177.609 176.870 -0.025 0.000 1.074 61 L CA 2.090 56.911 54.840 -0.031 0.000 0.745 61 L CB -0.535 41.459 42.059 -0.108 0.000 0.898 61 L HN 0.324 nan 8.230 nan 0.000 0.433 62 S N -1.372 114.316 115.700 -0.021 0.000 2.538 62 S HA 0.694 5.164 4.470 -0.000 0.000 0.288 62 S C -1.299 173.307 174.600 0.009 0.000 1.108 62 S CA -0.653 57.540 58.200 -0.012 0.000 0.971 62 S CB 1.378 64.563 63.200 -0.025 0.000 1.041 62 S HN -0.087 nan 8.310 nan 0.000 0.483 63 V N 5.288 125.212 119.914 0.017 0.000 2.569 63 V HA 0.510 4.630 4.120 -0.000 0.000 0.301 63 V C -0.810 175.300 176.094 0.026 0.000 1.044 63 V CA -0.767 61.550 62.300 0.029 0.000 0.874 63 V CB 2.011 33.854 31.823 0.032 0.000 1.002 63 V HN 0.874 nan 8.190 nan 0.000 0.424 64 K N 5.193 125.612 120.400 0.032 0.000 2.499 64 K HA 0.513 4.833 4.320 -0.000 0.000 0.215 64 K C -0.700 175.921 176.600 0.036 0.000 1.041 64 K CA -0.576 55.729 56.287 0.030 0.000 1.031 64 K CB 1.008 33.526 32.500 0.029 0.000 1.479 64 K HN 0.480 nan 8.250 nan 0.000 0.518 65 M N 2.595 122.214 119.600 0.032 0.000 2.184 65 M HA 0.067 4.547 4.480 -0.000 0.000 0.351 65 M C 0.507 176.827 176.300 0.034 0.000 1.395 65 M CA 0.264 55.584 55.300 0.034 0.000 1.117 65 M CB 0.288 32.904 32.600 0.026 0.000 1.708 65 M HN 0.460 nan 8.290 nan 0.000 0.468 66 T N 1.160 115.738 114.554 0.040 0.000 2.856 66 T HA 0.609 4.959 4.350 -0.000 0.000 0.283 66 T C -2.146 172.581 174.700 0.045 0.000 1.008 66 T CA -1.709 60.415 62.100 0.040 0.000 0.997 66 T CB 1.946 70.838 68.868 0.041 0.000 0.992 66 T HN 0.455 nan 8.240 nan 0.000 0.454 67 P HA 0.125 nan 4.420 nan 0.000 0.263 67 P C -0.550 176.782 177.300 0.053 0.000 1.386 67 P CA -0.310 62.818 63.100 0.047 0.000 0.797 67 P CB -0.349 31.374 31.700 0.039 0.000 1.381 68 N N 0.916 119.648 118.700 0.055 0.000 2.406 68 N HA 0.181 4.921 4.740 -0.000 0.000 0.251 68 N C 0.170 175.719 175.510 0.066 0.000 1.069 68 N CA -0.081 53.005 53.050 0.059 0.000 0.947 68 N CB 0.325 38.846 38.487 0.056 0.000 1.111 68 N HN 0.137 nan 8.380 nan 0.000 0.497 69 L N 2.408 123.674 121.223 0.072 0.000 2.397 69 L HA 0.377 4.717 4.340 -0.000 0.000 0.271 69 L C 0.064 176.993 176.870 0.098 0.000 1.148 69 L CA -0.305 54.574 54.840 0.065 0.000 0.825 69 L CB 0.510 42.606 42.059 0.063 0.000 1.117 69 L HN 0.251 nan 8.230 nan 0.000 0.456 70 L N 2.947 124.208 121.223 0.064 0.000 2.406 70 L HA 0.431 4.771 4.340 -0.000 0.000 0.272 70 L C -0.333 176.585 176.870 0.080 0.000 0.980 70 L CA -0.609 54.300 54.840 0.116 0.000 0.831 70 L CB 1.703 43.819 42.059 0.096 0.000 1.253 70 L HN 0.566 nan 8.230 nan 0.000 0.406 71 H N 3.532 122.610 119.070 0.014 0.000 2.562 71 H HA 0.511 5.067 4.556 -0.000 0.000 0.352 71 H C -0.927 174.434 175.328 0.054 0.000 1.125 71 H CA -0.481 55.580 56.048 0.020 0.000 1.379 71 H CB 2.158 31.934 29.762 0.024 0.000 1.464 71 H HN 0.236 nan 8.280 nan 0.000 0.563 72 L N 1.134 122.453 121.223 0.159 0.000 2.354 72 L HA 0.519 4.859 4.340 -0.000 0.000 0.264 72 L C -0.336 176.626 176.870 0.153 0.000 1.008 72 L CA -0.626 54.297 54.840 0.139 0.000 0.819 72 L CB 1.974 44.027 42.059 -0.009 0.000 1.339 72 L HN 0.665 nan 8.230 nan 0.000 0.420 73 A N 2.129 124.995 122.820 0.077 0.000 2.332 73 A HA 0.756 5.076 4.320 -0.000 0.000 0.300 73 A C -2.228 175.163 177.584 -0.321 0.000 1.153 73 A CA -1.320 50.684 52.037 -0.055 0.000 0.764 73 A CB 1.036 20.036 19.000 0.000 0.000 1.174 73 A HN 0.575 nan 8.150 nan 0.000 0.467 74 P HA -0.160 nan 4.420 nan 0.000 0.218 74 P C 1.037 178.054 177.300 -0.471 0.000 1.148 74 P CA 1.249 63.628 63.100 -1.200 0.000 0.822 74 P CB 0.417 31.470 31.700 -1.078 0.000 0.784 75 E N -1.122 118.908 120.200 -0.283 0.000 2.371 75 E HA 0.002 4.351 4.350 -0.000 0.000 0.194 75 E C 0.514 177.004 176.600 -0.183 0.000 1.012 75 E CA 0.737 57.039 56.400 -0.164 0.000 0.860 75 E CB -0.482 29.166 29.700 -0.087 0.000 0.811 75 E HN 0.447 nan 8.360 nan 0.000 0.502 76 N N -0.537 118.034 118.700 -0.216 0.000 2.365 76 N HA 0.119 4.859 4.740 -0.000 0.000 0.257 76 N C -1.080 174.205 175.510 -0.376 0.000 1.287 76 N CA -0.219 52.676 53.050 -0.259 0.000 0.882 76 N CB 0.626 39.103 38.487 -0.017 0.000 1.250 76 N HN -0.087 nan 8.380 nan 0.000 0.507 77 F N 1.488 121.071 119.950 -0.613 0.000 2.426 77 F HA 0.444 4.971 4.527 -0.000 0.000 0.348 77 F C -1.304 174.228 175.800 -0.447 0.000 1.124 77 F CA -0.734 57.068 58.000 -0.329 0.000 1.008 77 F CB 0.590 39.611 39.000 0.034 0.000 1.139 77 F HN -0.071 nan 8.300 nan 0.000 0.452 78 Y N 6.376 126.381 120.300 -0.493 0.000 2.391 78 Y HA 0.536 5.086 4.550 -0.000 0.000 0.341 78 Y C -0.443 175.119 175.900 -0.564 0.000 0.965 78 Y CA -1.228 56.655 58.100 -0.362 0.000 1.067 78 Y CB 1.543 39.882 38.460 -0.202 0.000 1.199 78 Y HN 0.334 nan 8.280 nan 0.000 0.450 79 I N 4.045 124.455 120.570 -0.267 0.000 2.307 79 I HA 0.466 4.636 4.170 -0.000 0.000 0.289 79 I C -0.310 175.589 176.117 -0.364 0.000 1.021 79 I CA -0.228 60.773 61.300 -0.498 0.000 1.224 79 I CB 0.744 38.328 38.000 -0.692 0.000 1.376 79 I HN 0.686 nan 8.210 nan 0.000 0.470 80 S N 3.361 118.898 115.700 -0.271 0.000 2.661 80 S HA 0.574 5.044 4.470 -0.000 0.000 0.285 80 S C -0.739 173.838 174.600 -0.038 0.000 1.138 80 S CA -1.057 57.128 58.200 -0.024 0.000 0.855 80 S CB 1.296 64.498 63.200 0.004 0.000 1.136 80 S HN 0.538 nan 8.310 nan 0.000 0.484 81 H N 1.385 120.572 119.070 0.196 0.000 2.652 81 H HA 0.506 5.062 4.556 -0.000 0.000 0.349 81 H C 0.741 176.091 175.328 0.036 0.000 1.099 81 H CA 0.317 56.435 56.048 0.117 0.000 1.417 81 H CB 0.658 30.457 29.762 0.062 0.000 1.457 81 H HN 0.794 nan 8.280 nan 0.000 0.568 82 S N 2.641 118.420 115.700 0.132 0.000 2.576 82 S HA 0.073 4.542 4.470 -0.000 0.000 0.276 82 S C -1.716 172.918 174.600 0.056 0.000 1.339 82 S CA -1.239 56.997 58.200 0.061 0.000 1.039 82 S CB 1.165 64.386 63.200 0.036 0.000 0.902 82 S HN 0.473 nan 8.310 nan 0.000 0.516 83 P HA -0.068 nan 4.420 nan 0.000 0.224 83 P C 0.199 177.504 177.300 0.009 0.000 1.142 83 P CA 1.040 64.148 63.100 0.015 0.000 0.778 83 P CB -0.383 31.320 31.700 0.005 0.000 0.764 84 N N -2.308 116.400 118.700 0.014 0.000 2.553 84 N HA 0.165 4.905 4.740 -0.000 0.000 0.298 84 N C -0.431 175.086 175.510 0.011 0.000 1.596 84 N CA -0.294 52.761 53.050 0.008 0.000 0.910 84 N CB 0.509 39.000 38.487 0.006 0.000 1.336 84 N HN -0.168 nan 8.380 nan 0.000 0.497 85 S N 0.427 116.137 115.700 0.016 0.000 2.690 85 S HA 0.255 4.725 4.470 -0.000 0.000 0.291 85 S C 1.208 175.799 174.600 -0.015 0.000 1.138 85 S CA -0.331 57.879 58.200 0.018 0.000 1.013 85 S CB 1.257 64.494 63.200 0.062 0.000 1.053 85 S HN 0.354 nan 8.310 nan 0.000 0.539 86 T N 0.322 114.864 114.554 -0.021 0.000 3.188 86 T HA 0.580 4.930 4.350 -0.000 0.000 0.250 86 T C 0.091 174.744 174.700 -0.077 0.000 1.077 86 T CA 0.069 62.143 62.100 -0.042 0.000 0.967 86 T CB -0.272 68.576 68.868 -0.033 0.000 1.006 86 T HN 0.870 nan 8.240 nan 0.000 0.552 87 A N -0.185 122.574 122.820 -0.101 0.000 2.465 87 A HA 0.799 5.119 4.320 -0.000 0.000 0.292 87 A C 0.083 177.435 177.584 -0.387 0.000 1.041 87 A CA -0.527 51.397 52.037 -0.188 0.000 0.718 87 A CB 1.218 20.127 19.000 -0.152 0.000 1.266 87 A HN 0.466 nan 8.150 nan 0.000 0.403 88 G N 0.686 109.195 108.800 -0.485 0.000 2.971 88 G HA2 0.648 4.608 3.960 -0.000 0.000 0.235 88 G HA3 0.648 4.608 3.960 -0.000 0.000 0.235 88 G C -2.059 172.360 174.900 -0.803 0.000 1.351 88 G CA -1.433 43.231 45.100 -0.727 0.000 1.039 88 G HN 0.332 nan 8.290 nan 0.000 0.563 89 P HA -0.049 nan 4.420 nan 0.000 0.226 89 P C 1.789 178.992 177.300 -0.162 0.000 1.146 89 P CA 1.343 64.337 63.100 -0.176 0.000 0.773 89 P CB 0.310 31.972 31.700 -0.063 0.000 0.772 90 S N -1.607 113.978 115.700 -0.191 0.000 2.481 90 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 90 S C 0.839 175.352 174.600 -0.145 0.000 0.996 90 S CA -0.026 58.090 58.200 -0.140 0.000 0.942 90 S CB -0.865 62.258 63.200 -0.127 0.000 0.768 90 S HN 0.215 nan 8.310 nan 0.000 0.520 91 c N 2.715 121.199 118.600 -0.194 0.000 2.442 91 c HA 0.432 5.002 4.570 -0.000 0.000 0.362 91 c C 1.936 175.936 174.090 -0.151 0.000 1.242 91 c CA -0.246 55.977 56.329 -0.176 0.000 1.741 91 c CB -0.829 41.556 42.510 -0.207 0.000 2.378 91 c HN 0.590 nan 8.230 nan 0.000 0.549 92 T N 5.020 119.501 114.554 -0.121 0.000 2.737 92 T HA -0.174 4.176 4.350 -0.000 0.000 0.265 92 T C 1.811 176.449 174.700 -0.103 0.000 1.038 92 T CA 1.614 63.656 62.100 -0.097 0.000 1.144 92 T CB -0.216 68.608 68.868 -0.073 0.000 0.866 92 T HN 0.799 nan 8.240 nan 0.000 0.434 93 L N 0.729 121.884 121.223 -0.114 0.000 1.989 93 L HA -0.113 4.227 4.340 -0.000 0.000 0.211 93 L C 2.313 179.116 176.870 -0.112 0.000 1.071 93 L CA 1.366 56.146 54.840 -0.099 0.000 0.749 93 L CB -0.364 41.620 42.059 -0.127 0.000 0.890 93 L HN 0.206 nan 8.230 nan 0.000 0.431 94 L N -0.356 120.754 121.223 -0.189 0.000 1.994 94 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 94 L C 2.750 179.274 176.870 -0.576 0.000 1.071 94 L CA 1.654 56.280 54.840 -0.358 0.000 0.745 94 L CB -1.479 40.354 42.059 -0.378 0.000 0.892 94 L HN 0.382 nan 8.230 nan 0.000 0.431 95 E N -0.093 119.859 120.200 -0.413 0.000 2.097 95 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 95 E C 2.042 178.599 176.600 -0.072 0.000 1.000 95 E CA 0.939 57.175 56.400 -0.273 0.000 0.804 95 E CB -0.007 29.616 29.700 -0.129 0.000 0.740 95 E HN 0.458 nan 8.360 nan 0.000 0.454 96 E N 0.422 120.597 120.200 -0.042 0.000 2.047 96 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 96 E C 2.058 178.728 176.600 0.117 0.000 0.987 96 E CA 0.981 57.398 56.400 0.028 0.000 0.799 96 E CB -0.286 29.416 29.700 0.003 0.000 0.752 96 E HN 0.203 nan 8.360 nan 0.000 0.449 97 A N 1.085 124.000 122.820 0.158 0.000 1.908 97 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 97 A C 2.048 179.944 177.584 0.519 0.000 1.181 97 A CA 1.220 53.467 52.037 0.349 0.000 0.627 97 A CB -0.770 18.432 19.000 0.337 0.000 0.818 97 A HN 0.119 nan 8.150 nan 0.000 0.445 98 F N -0.162 119.869 119.950 0.134 0.000 2.043 98 F HA -0.172 4.355 4.527 -0.000 0.000 0.297 98 F C 2.480 178.381 175.800 0.169 0.000 1.121 98 F CA 1.601 59.673 58.000 0.119 0.000 1.199 98 F CB -0.956 38.055 39.000 0.018 0.000 0.968 98 F HN 0.259 nan 8.300 nan 0.000 0.478 99 R N 0.239 120.929 120.500 0.316 0.000 2.092 99 R HA -0.159 4.181 4.340 -0.000 0.000 0.231 99 R C 2.458 178.850 176.300 0.154 0.000 1.119 99 R CA 1.421 57.632 56.100 0.184 0.000 0.970 99 R CB -0.222 30.137 30.300 0.099 0.000 0.864 99 R HN 0.184 nan 8.270 nan 0.000 0.440 100 R N -0.776 119.808 120.500 0.139 0.000 2.073 100 R HA -0.173 4.167 4.340 -0.000 0.000 0.234 100 R C 1.664 177.925 176.300 -0.064 0.000 1.134 100 R CA 1.827 57.923 56.100 -0.006 0.000 0.952 100 R CB -0.317 29.994 30.300 0.019 0.000 0.850 100 R HN 0.295 nan 8.270 nan 0.000 0.433 101 Y N -0.965 119.463 120.300 0.213 0.000 2.457 101 Y HA -0.110 4.440 4.550 -0.000 0.000 0.292 101 Y C 2.101 178.109 175.900 0.180 0.000 1.125 101 Y CA 1.488 59.758 58.100 0.282 0.000 1.254 101 Y CB -0.201 38.416 38.460 0.263 0.000 1.012 101 Y HN 0.333 nan 8.280 nan 0.000 0.555 102 H N -0.820 118.386 119.070 0.227 0.000 2.456 102 H HA -0.085 4.471 4.556 -0.000 0.000 0.296 102 H C 2.352 177.769 175.328 0.147 0.000 1.079 102 H CA 1.485 57.665 56.048 0.220 0.000 1.322 102 H CB -0.222 29.678 29.762 0.230 0.000 1.388 102 H HN 0.321 nan 8.280 nan 0.000 0.538 103 G N -1.236 107.621 108.800 0.094 0.000 2.408 103 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.215 103 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.215 103 G C 0.928 175.753 174.900 -0.125 0.000 1.156 103 G CA 0.407 45.476 45.100 -0.052 0.000 0.793 103 G HN 0.387 nan 8.290 nan 0.000 0.535 104 Y N 0.692 120.965 120.300 -0.045 0.000 2.314 104 Y HA 0.140 4.690 4.550 -0.000 0.000 0.293 104 Y C 2.600 178.399 175.900 -0.169 0.000 1.129 104 Y CA 0.102 58.129 58.100 -0.121 0.000 1.201 104 Y CB -0.218 38.150 38.460 -0.154 0.000 0.999 104 Y HN 0.143 nan 8.280 nan 0.000 0.541 105 I N -1.746 118.754 120.570 -0.117 0.000 2.233 105 I HA -0.272 3.898 4.170 -0.000 0.000 0.243 105 I C 1.518 177.253 176.117 -0.637 0.000 1.093 105 I CA 1.500 62.508 61.300 -0.487 0.000 1.380 105 I CB -0.301 37.183 38.000 -0.859 0.000 1.067 105 I HN 0.062 nan 8.210 nan 0.000 0.413 106 F N 0.109 119.861 119.950 -0.330 0.000 2.289 106 F HA 0.427 4.954 4.527 -0.000 0.000 0.280 106 F C 1.304 177.106 175.800 0.005 0.000 1.045 106 F CA 0.791 58.559 58.000 -0.387 0.000 1.236 106 F CB -0.792 37.776 39.000 -0.720 0.000 1.116 106 F HN 0.104 nan 8.300 nan 0.000 0.550 123 Q N 1.852 121.706 119.800 0.089 0.000 2.296 123 Q HA 0.521 4.861 4.340 -0.000 0.000 0.254 123 Q C -1.444 174.643 176.000 0.145 0.000 0.936 123 Q CA -0.725 55.152 55.803 0.123 0.000 0.834 123 Q CB 2.311 31.103 28.738 0.091 0.000 1.340 123 Q HN 0.481 nan 8.270 nan 0.000 0.428 124 V N 4.969 124.998 119.914 0.191 0.000 2.446 124 V HA 0.009 4.129 4.120 -0.000 0.000 0.276 124 V C 0.733 177.013 176.094 0.309 0.000 1.030 124 V CA 0.588 63.041 62.300 0.254 0.000 1.033 124 V CB 1.091 33.120 31.823 0.344 0.000 0.993 124 V HN 0.885 nan 8.190 nan 0.000 0.477 125 Q N 2.989 122.916 119.800 0.211 0.000 2.392 125 Q HA 0.205 4.545 4.340 -0.000 0.000 0.219 125 Q C 0.600 176.619 176.000 0.032 0.000 0.895 125 Q CA 0.236 56.138 55.803 0.164 0.000 0.929 125 Q CB 1.034 29.844 28.738 0.120 0.000 1.077 125 Q HN 0.844 nan 8.270 nan 0.000 0.532 126 Q N 0.303 120.069 119.800 -0.056 0.000 2.472 126 Q HA 0.435 4.775 4.340 -0.000 0.000 0.281 126 Q C -2.211 173.618 176.000 -0.285 0.000 0.997 126 Q CA -0.662 54.972 55.803 -0.282 0.000 0.828 126 Q CB 1.819 30.494 28.738 -0.105 0.000 1.443 126 Q HN 0.102 nan 8.270 nan 0.000 0.390 127 L N 3.945 124.893 121.223 -0.457 0.000 2.345 127 L HA 0.501 4.841 4.340 -0.000 0.000 0.274 127 L C -1.847 174.814 176.870 -0.349 0.000 0.999 127 L CA -0.231 54.376 54.840 -0.387 0.000 0.849 127 L CB 1.279 43.025 42.059 -0.522 0.000 1.220 127 L HN 0.709 nan 8.230 nan 0.000 0.422 128 L N 5.418 126.508 121.223 -0.223 0.000 2.331 128 L HA 0.440 4.780 4.340 -0.000 0.000 0.278 128 L C -0.432 176.349 176.870 -0.147 0.000 1.106 128 L CA -0.564 54.183 54.840 -0.154 0.000 0.824 128 L CB 1.436 43.449 42.059 -0.076 0.000 1.142 128 L HN 0.326 nan 8.230 nan 0.000 0.443 129 V N 2.873 122.727 119.914 -0.100 0.000 2.334 129 V HA 0.226 4.346 4.120 -0.000 0.000 0.281 129 V C 0.101 176.235 176.094 0.068 0.000 1.016 129 V CA -0.266 62.020 62.300 -0.024 0.000 0.832 129 V CB 1.405 33.259 31.823 0.051 0.000 0.999 129 V HN 0.762 nan 8.190 nan 0.000 0.439 130 S N 6.154 121.879 115.700 0.043 0.000 2.433 130 S HA 0.623 5.093 4.470 -0.000 0.000 0.310 130 S C -0.510 174.120 174.600 0.050 0.000 1.097 130 S CA -0.657 57.575 58.200 0.053 0.000 1.103 130 S CB 0.478 63.697 63.200 0.032 0.000 0.992 130 S HN 0.476 nan 8.310 nan 0.000 0.469 131 I N 5.869 126.468 120.570 0.047 0.000 2.306 131 I HA 0.197 4.367 4.170 -0.000 0.000 0.288 131 I C 1.564 177.691 176.117 0.016 0.000 1.036 131 I CA -0.127 61.188 61.300 0.025 0.000 1.221 131 I CB 0.109 38.109 38.000 0.000 0.000 1.385 131 I HN 0.630 nan 8.210 nan 0.000 0.472 132 T N 5.896 120.463 114.554 0.023 0.000 2.614 132 T HA -0.010 4.340 4.350 -0.000 0.000 0.263 132 T C 1.273 175.981 174.700 0.013 0.000 1.055 132 T CA 1.125 63.237 62.100 0.020 0.000 1.162 132 T CB 0.005 68.889 68.868 0.028 0.000 0.863 132 T HN 0.330 nan 8.240 nan 0.000 0.414 133 L N 0.580 121.812 121.223 0.016 0.000 2.567 133 L HA 0.323 4.663 4.340 -0.000 0.000 0.238 133 L C 0.787 177.657 176.870 -0.001 0.000 1.168 133 L CA -0.829 54.020 54.840 0.014 0.000 0.817 133 L CB 0.078 42.154 42.059 0.029 0.000 1.409 133 L HN 0.162 nan 8.230 nan 0.000 0.502 134 Q N 0.174 119.975 119.800 0.002 0.000 2.257 134 Q HA -0.036 4.304 4.340 -0.000 0.000 0.273 134 Q C 1.159 177.139 176.000 -0.033 0.000 1.153 134 Q CA 0.098 55.894 55.803 -0.012 0.000 0.922 134 Q CB 0.749 29.488 28.738 0.002 0.000 1.242 134 Q HN 0.701 nan 8.270 nan 0.000 0.409 135 S N 3.279 118.938 115.700 -0.068 0.000 2.407 135 S HA -0.281 4.189 4.470 -0.000 0.000 0.235 135 S C 0.407 174.889 174.600 -0.197 0.000 1.036 135 S CA 1.283 59.403 58.200 -0.134 0.000 1.013 135 S CB -0.475 62.639 63.200 -0.145 0.000 0.820 135 S HN 0.948 nan 8.310 nan 0.000 0.476 136 E N -1.012 119.120 120.200 -0.113 0.000 2.328 136 E HA -0.334 4.016 4.350 -0.000 0.000 0.233 136 E C 0.770 177.248 176.600 -0.203 0.000 1.219 136 E CA 0.506 56.858 56.400 -0.079 0.000 0.717 136 E CB -2.663 27.071 29.700 0.057 0.000 1.210 136 E HN 0.655 nan 8.360 nan 0.000 0.381 137 c N 0.718 119.183 118.600 -0.225 0.000 2.413 137 c HA -0.126 4.444 4.570 -0.000 0.000 0.277 137 c C 1.103 175.071 174.090 -0.204 0.000 1.265 137 c CA 1.382 57.548 56.329 -0.271 0.000 1.752 137 c CB -0.505 41.880 42.510 -0.208 0.000 1.998 137 c HN 0.579 nan 8.230 nan 0.000 0.489 138 D N 0.975 121.298 120.400 -0.128 0.000 3.058 138 D HA 0.514 5.154 4.640 -0.000 0.000 0.272 138 D C 0.056 176.309 176.300 -0.078 0.000 1.350 138 D CA 0.569 54.504 54.000 -0.108 0.000 0.863 138 D CB 0.485 41.236 40.800 -0.083 0.000 1.064 138 D HN 0.641 nan 8.370 nan 0.000 0.488 139 A N -0.123 122.682 122.820 -0.025 0.000 2.527 139 A HA 0.694 5.014 4.320 -0.000 0.000 0.293 139 A C -0.959 176.711 177.584 0.143 0.000 1.117 139 A CA -0.677 51.407 52.037 0.078 0.000 0.723 139 A CB 1.158 20.280 19.000 0.203 0.000 1.313 139 A HN 0.030 nan 8.150 nan 0.000 0.411 140 F N 1.690 121.790 119.950 0.249 0.000 2.396 140 F HA 0.455 4.982 4.527 -0.000 0.000 0.343 140 F C -1.505 174.318 175.800 0.039 0.000 1.104 140 F CA -1.559 56.547 58.000 0.177 0.000 1.161 140 F CB 0.912 39.974 39.000 0.104 0.000 1.146 140 F HN 0.317 nan 8.300 nan 0.000 0.522 141 P HA 0.187 nan 4.420 nan 0.000 0.274 141 P C -1.232 175.935 177.300 -0.222 0.000 1.231 141 P CA -0.309 62.381 63.100 -0.684 0.000 0.790 141 P CB 1.188 32.182 31.700 -1.176 0.000 0.951 142 N N 0.657 119.239 118.700 -0.197 0.000 3.343 142 N HA 0.194 4.934 4.740 -0.000 0.000 0.330 142 N C 0.501 176.012 175.510 0.003 0.000 1.560 142 N CA -0.796 52.248 53.050 -0.011 0.000 0.752 142 N CB -0.427 38.102 38.487 0.071 0.000 1.863 142 N HN 0.158 nan 8.380 nan 0.000 0.636 143 I N -0.103 120.536 120.570 0.115 0.000 2.493 143 I HA -0.026 4.144 4.170 -0.000 0.000 0.254 143 I C 0.937 177.100 176.117 0.077 0.000 1.160 143 I CA 1.330 62.694 61.300 0.106 0.000 1.445 143 I CB -0.447 37.648 38.000 0.159 0.000 1.086 143 I HN 0.651 nan 8.210 nan 0.000 0.433 144 S N -0.984 114.764 115.700 0.080 0.000 2.552 144 S HA 0.314 4.784 4.470 -0.000 0.000 0.246 144 S C 0.529 175.172 174.600 0.070 0.000 1.019 144 S CA -0.608 57.637 58.200 0.076 0.000 1.045 144 S CB -0.727 62.526 63.200 0.088 0.000 0.784 144 S HN 0.198 nan 8.310 nan 0.000 0.453 145 S N 2.906 118.621 115.700 0.024 0.000 2.523 145 S HA 0.224 4.694 4.470 -0.000 0.000 0.275 145 S C -0.266 174.410 174.600 0.127 0.000 1.281 145 S CA -0.467 57.751 58.200 0.031 0.000 1.050 145 S CB 0.726 63.730 63.200 -0.327 0.000 0.937 145 S HN 0.508 nan 8.310 nan 0.000 0.492 146 D N 2.306 122.850 120.400 0.241 0.000 2.352 146 D HA 0.080 4.720 4.640 -0.000 0.000 0.245 146 D C 0.299 176.770 176.300 0.284 0.000 1.224 146 D CA -0.101 54.023 54.000 0.206 0.000 0.879 146 D CB 0.456 41.361 40.800 0.175 0.000 1.057 146 D HN 0.566 nan 8.370 nan 0.000 0.491 147 E N 1.267 121.607 120.200 0.233 0.000 2.465 147 E HA 0.055 4.405 4.350 -0.000 0.000 0.195 147 E C 0.433 177.247 176.600 0.356 0.000 1.028 147 E CA -0.275 56.328 56.400 0.337 0.000 0.899 147 E CB 0.363 30.276 29.700 0.356 0.000 1.032 147 E HN 0.404 nan 8.360 nan 0.000 0.468 148 S N 0.828 116.655 115.700 0.211 0.000 2.592 148 S HA 0.378 4.848 4.470 -0.000 0.000 0.271 148 S C -0.304 174.454 174.600 0.263 0.000 1.326 148 S CA -0.633 57.650 58.200 0.138 0.000 1.024 148 S CB 0.338 63.542 63.200 0.006 0.000 0.921 148 S HN 0.300 nan 8.310 nan 0.000 0.527 149 Y N -2.095 118.267 120.300 0.103 0.000 2.713 149 Y HA 0.717 5.267 4.550 -0.000 0.000 0.335 149 Y C -1.028 174.914 175.900 0.071 0.000 1.222 149 Y CA -0.927 57.226 58.100 0.087 0.000 1.061 149 Y CB 0.847 39.369 38.460 0.104 0.000 1.314 149 Y HN 0.864 nan 8.280 nan 0.000 0.453 150 T N 0.914 115.592 114.554 0.207 0.000 2.881 150 T HA 0.634 4.984 4.350 -0.000 0.000 0.290 150 T C -1.876 172.950 174.700 0.209 0.000 1.000 150 T CA -0.572 61.598 62.100 0.116 0.000 0.978 150 T CB 1.745 70.643 68.868 0.050 0.000 0.997 150 T HN 0.912 nan 8.240 nan 0.000 0.443 151 L N 3.839 125.183 121.223 0.202 0.000 2.345 151 L HA 0.599 4.939 4.340 -0.000 0.000 0.274 151 L C -1.267 175.676 176.870 0.123 0.000 0.999 151 L CA -0.922 54.025 54.840 0.179 0.000 0.849 151 L CB 0.881 43.096 42.059 0.261 0.000 1.220 151 L HN 0.753 nan 8.230 nan 0.000 0.422 152 L N 5.885 127.157 121.223 0.082 0.000 2.264 152 L HA 0.486 4.826 4.340 -0.000 0.000 0.289 152 L C -0.333 176.589 176.870 0.086 0.000 1.044 152 L CA -0.799 54.085 54.840 0.073 0.000 0.807 152 L CB 1.634 43.722 42.059 0.048 0.000 1.192 152 L HN 0.283 nan 8.230 nan 0.000 0.425 153 V N 4.017 123.997 119.914 0.111 0.000 2.192 153 V HA 0.204 4.324 4.120 -0.000 0.000 0.264 153 V C 0.480 176.639 176.094 0.110 0.000 1.155 153 V CA -0.696 61.690 62.300 0.144 0.000 1.005 153 V CB -0.022 31.908 31.823 0.179 0.000 1.201 153 V HN 0.702 nan 8.190 nan 0.000 0.468 154 K N 1.752 122.206 120.400 0.090 0.000 2.132 154 K HA 0.188 4.508 4.320 -0.000 0.000 0.240 154 K C 1.264 177.917 176.600 0.088 0.000 1.036 154 K CA -0.094 56.238 56.287 0.074 0.000 0.888 154 K CB 0.975 33.508 32.500 0.055 0.000 1.071 154 K HN 0.645 nan 8.250 nan 0.000 0.502 155 E N 0.033 120.277 120.200 0.074 0.000 2.122 155 E HA -0.054 4.296 4.350 -0.000 0.000 0.190 155 E C -1.448 175.201 176.600 0.082 0.000 0.977 155 E CA 0.519 56.967 56.400 0.080 0.000 0.820 155 E CB -0.793 28.946 29.700 0.065 0.000 0.770 155 E HN 0.346 nan 8.360 nan 0.000 0.462 156 P HA 0.106 nan 4.420 nan 0.000 0.215 156 P C -0.225 177.115 177.300 0.067 0.000 1.144 156 P CA 0.451 63.589 63.100 0.063 0.000 0.874 156 P CB 0.545 32.271 31.700 0.044 0.000 0.796 157 V N 0.397 120.342 119.914 0.052 0.000 2.482 157 V HA 0.623 4.743 4.120 -0.000 0.000 0.295 157 V C -0.048 176.063 176.094 0.029 0.000 1.026 157 V CA -1.312 61.007 62.300 0.032 0.000 0.856 157 V CB 1.096 32.923 31.823 0.008 0.000 1.001 157 V HN 0.142 nan 8.190 nan 0.000 0.424 158 A N 4.835 127.674 122.820 0.032 0.000 2.371 158 A HA 0.768 5.088 4.320 -0.000 0.000 0.257 158 A C -0.330 177.217 177.584 -0.062 0.000 1.089 158 A CA -0.206 51.841 52.037 0.016 0.000 0.794 158 A CB 0.787 19.817 19.000 0.051 0.000 1.029 158 A HN 0.751 nan 8.150 nan 0.000 0.488 159 V N 2.083 121.968 119.914 -0.048 0.000 2.735 159 V HA 0.557 4.677 4.120 -0.000 0.000 0.310 159 V C -0.909 175.147 176.094 -0.064 0.000 1.061 159 V CA -0.518 61.747 62.300 -0.058 0.000 0.913 159 V CB 1.601 33.416 31.823 -0.014 0.000 1.005 159 V HN 0.826 nan 8.190 nan 0.000 0.428 160 L N 4.766 125.943 121.223 -0.077 0.000 2.415 160 L HA 0.604 4.944 4.340 -0.000 0.000 0.268 160 L C -0.542 176.331 176.870 0.006 0.000 0.984 160 L CA -0.129 54.683 54.840 -0.046 0.000 0.853 160 L CB 1.261 43.235 42.059 -0.142 0.000 1.215 160 L HN 0.593 nan 8.230 nan 0.000 0.419 161 K N 3.932 124.367 120.400 0.057 0.000 2.156 161 K HA 0.963 5.283 4.320 -0.000 0.000 0.254 161 K C -1.013 175.655 176.600 0.112 0.000 0.950 161 K CA -0.679 55.648 56.287 0.066 0.000 0.849 161 K CB 2.096 34.628 32.500 0.054 0.000 1.100 161 K HN 0.687 nan 8.250 nan 0.000 0.434 162 A N 1.994 124.871 122.820 0.095 0.000 2.532 162 A HA 0.232 4.552 4.320 -0.000 0.000 0.296 162 A C -0.158 177.475 177.584 0.081 0.000 1.058 162 A CA -0.823 51.288 52.037 0.123 0.000 0.729 162 A CB 0.865 19.952 19.000 0.145 0.000 1.285 162 A HN 0.729 nan 8.150 nan 0.000 0.396 163 N N 0.782 119.533 118.700 0.086 0.000 2.036 163 N HA -0.107 4.633 4.740 -0.000 0.000 0.195 163 N C 0.567 176.106 175.510 0.048 0.000 1.037 163 N CA 1.372 54.461 53.050 0.065 0.000 0.855 163 N CB -0.143 38.389 38.487 0.074 0.000 1.033 163 N HN 0.644 nan 8.380 nan 0.000 0.423 164 R N -0.440 120.098 120.500 0.063 0.000 2.923 164 R HA 0.244 4.584 4.340 -0.000 0.000 0.252 164 R C 1.137 177.367 176.300 -0.117 0.000 1.130 164 R CA -0.644 55.447 56.100 -0.016 0.000 1.043 164 R CB 0.086 30.445 30.300 0.098 0.000 1.205 164 R HN -0.116 nan 8.270 nan 0.000 0.495 165 V N 0.639 120.319 119.914 -0.390 0.000 2.515 165 V HA -0.160 3.960 4.120 -0.000 0.000 0.250 165 V C 1.176 177.085 176.094 -0.308 0.000 1.058 165 V CA 1.501 63.539 62.300 -0.437 0.000 1.064 165 V CB -0.289 31.113 31.823 -0.701 0.000 0.675 165 V HN 0.681 nan 8.190 nan 0.000 0.461 166 W N 0.529 121.876 121.300 0.078 0.000 2.363 166 W HA 0.054 4.714 4.660 -0.000 0.000 0.296 166 W C 2.510 179.101 176.519 0.120 0.000 1.212 166 W CA 0.732 58.136 57.345 0.097 0.000 1.260 166 W CB -1.011 28.517 29.460 0.112 0.000 1.131 166 W HN 0.304 nan 8.180 nan 0.000 0.530 167 G N 0.526 109.508 108.800 0.302 0.000 2.422 167 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.218 167 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.218 167 G C 1.667 176.638 174.900 0.119 0.000 1.140 167 G CA 1.054 46.332 45.100 0.297 0.000 0.775 167 G HN 0.304 nan 8.290 nan 0.000 0.545 168 A N 0.452 123.303 122.820 0.051 0.000 1.969 168 A HA 0.182 4.502 4.320 -0.000 0.000 0.218 168 A C 2.373 179.903 177.584 -0.090 0.000 1.169 168 A CA 0.884 52.902 52.037 -0.032 0.000 0.635 168 A CB -0.275 18.731 19.000 0.010 0.000 0.810 168 A HN 0.357 nan 8.150 nan 0.000 0.445 169 L N -0.954 120.263 121.223 -0.009 0.000 2.056 169 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 169 L C 2.783 179.579 176.870 -0.123 0.000 1.078 169 L CA 0.981 55.821 54.840 -0.001 0.000 0.749 169 L CB -0.434 41.714 42.059 0.148 0.000 0.901 169 L HN 0.272 nan 8.230 nan 0.000 0.433 170 R N 0.143 120.574 120.500 -0.115 0.000 2.092 170 R HA -0.037 4.302 4.340 -0.000 0.000 0.231 170 R C 2.255 178.191 176.300 -0.606 0.000 1.119 170 R CA 1.245 57.206 56.100 -0.231 0.000 0.970 170 R CB -1.193 29.128 30.300 0.035 0.000 0.864 170 R HN 0.393 nan 8.270 nan 0.000 0.440 171 G N 1.483 109.733 108.800 -0.918 0.000 2.421 171 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 171 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 171 G C 1.617 176.238 174.900 -0.465 0.000 1.171 171 G CA 0.389 44.880 45.100 -1.016 0.000 0.775 171 G HN 0.187 nan 8.290 nan 0.000 0.543 172 L N 0.162 121.107 121.223 -0.465 0.000 2.083 172 L HA -0.070 4.270 4.340 -0.000 0.000 0.209 172 L C 2.756 179.295 176.870 -0.551 0.000 1.083 172 L CA 1.452 55.976 54.840 -0.527 0.000 0.752 172 L CB -0.328 41.231 42.059 -0.832 0.000 0.899 172 L HN 0.247 nan 8.230 nan 0.000 0.433 173 E N 0.248 120.123 120.200 -0.542 0.000 2.031 173 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 173 E C 2.042 178.616 176.600 -0.044 0.000 0.994 173 E CA 2.178 58.499 56.400 -0.132 0.000 0.800 173 E CB -0.247 29.446 29.700 -0.012 0.000 0.752 173 E HN 0.309 nan 8.360 nan 0.000 0.447 174 T N 0.275 114.781 114.554 -0.080 0.000 2.746 174 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 174 T C 1.532 176.262 174.700 0.051 0.000 1.039 174 T CA 1.270 63.377 62.100 0.012 0.000 1.142 174 T CB -0.570 68.360 68.868 0.103 0.000 0.866 174 T HN 0.247 nan 8.240 nan 0.000 0.444 175 F N 2.721 122.612 119.950 -0.098 0.000 2.171 175 F HA -0.144 4.383 4.527 -0.000 0.000 0.300 175 F C 2.579 178.329 175.800 -0.084 0.000 1.090 175 F CA 1.420 59.373 58.000 -0.077 0.000 1.293 175 F CB -0.457 38.482 39.000 -0.101 0.000 1.013 175 F HN 0.207 nan 8.300 nan 0.000 0.486 176 S N -0.488 115.184 115.700 -0.046 0.000 2.402 176 S HA -0.217 4.253 4.470 -0.000 0.000 0.229 176 S C 1.779 176.284 174.600 -0.159 0.000 1.021 176 S CA 1.145 59.280 58.200 -0.107 0.000 0.974 176 S CB -0.723 62.562 63.200 0.142 0.000 0.800 176 S HN 0.637 nan 8.310 nan 0.000 0.484 177 Q N 0.645 120.385 119.800 -0.100 0.000 2.245 177 Q HA 0.192 4.532 4.340 -0.000 0.000 0.201 177 Q C 2.149 178.091 176.000 -0.096 0.000 0.955 177 Q CA 0.879 56.636 55.803 -0.077 0.000 0.870 177 Q CB -0.373 28.358 28.738 -0.011 0.000 0.945 177 Q HN 0.545 nan 8.270 nan 0.000 0.461 178 L N 0.254 121.388 121.223 -0.148 0.000 2.005 178 L HA -0.064 4.276 4.340 -0.000 0.000 0.207 178 L C 0.924 177.737 176.870 -0.095 0.000 1.072 178 L CA 0.347 55.109 54.840 -0.130 0.000 0.744 178 L CB -0.260 41.690 42.059 -0.183 0.000 0.895 178 L HN -0.004 nan 8.230 nan 0.000 0.433 179 V N 0.245 119.976 119.914 -0.305 0.000 2.673 179 V HA -0.058 4.062 4.120 -0.000 0.000 0.303 179 V C -0.192 175.879 176.094 -0.038 0.000 1.046 179 V CA 0.319 62.449 62.300 -0.283 0.000 1.126 179 V CB -0.501 30.987 31.823 -0.559 0.000 0.934 179 V HN 0.299 nan 8.190 nan 0.000 0.487 180 Y N 2.015 122.223 120.300 -0.153 0.000 2.900 180 Y HA 0.757 5.307 4.550 -0.000 0.000 0.318 180 Y C -0.810 175.009 175.900 -0.135 0.000 1.457 180 Y CA -1.512 56.514 58.100 -0.123 0.000 1.082 180 Y CB 1.511 39.891 38.460 -0.134 0.000 1.419 180 Y HN 0.415 nan 8.280 nan 0.000 0.459 181 Q N 1.802 121.538 119.800 -0.107 0.000 2.353 181 Q HA 0.278 4.618 4.340 -0.000 0.000 0.268 181 Q C -1.227 174.701 176.000 -0.120 0.000 1.045 181 Q CA -1.129 54.491 55.803 -0.304 0.000 0.811 181 Q CB 2.297 30.811 28.738 -0.372 0.000 1.305 181 Q HN 0.718 nan 8.270 nan 0.000 0.447 182 D N 0.128 120.414 120.400 -0.190 0.000 2.325 182 D HA 0.011 4.651 4.640 -0.000 0.000 0.262 182 D C 0.291 176.526 176.300 -0.109 0.000 1.263 182 D CA -0.409 53.557 54.000 -0.056 0.000 1.020 182 D CB 0.297 41.087 40.800 -0.016 0.000 1.117 182 D HN 0.302 nan 8.370 nan 0.000 0.545 183 S N -1.741 113.837 115.700 -0.203 0.000 2.603 183 S HA -0.044 4.426 4.470 -0.000 0.000 0.229 183 S C 0.263 174.503 174.600 -0.601 0.000 0.972 183 S CA 0.234 58.181 58.200 -0.421 0.000 0.935 183 S CB -0.605 62.264 63.200 -0.552 0.000 0.769 183 S HN 0.416 nan 8.310 nan 0.000 0.536 184 Y N -0.632 119.620 120.300 -0.080 0.000 2.527 184 Y HA 0.394 4.944 4.550 -0.000 0.000 0.247 184 Y C 1.646 177.469 175.900 -0.128 0.000 1.138 184 Y CA -0.207 57.844 58.100 -0.081 0.000 1.228 184 Y CB 0.255 38.680 38.460 -0.058 0.000 1.252 184 Y HN 0.200 nan 8.280 nan 0.000 0.531 185 G N 0.341 109.088 108.800 -0.089 0.000 2.176 185 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.253 185 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.253 185 G C 0.206 174.869 174.900 -0.394 0.000 0.979 185 G CA 0.312 45.265 45.100 -0.245 0.000 0.641 185 G HN 0.233 nan 8.290 nan 0.000 0.530 186 T N 1.932 116.350 114.554 -0.227 0.000 2.817 186 T HA 0.409 4.759 4.350 -0.000 0.000 0.295 186 T C 0.371 174.850 174.700 -0.368 0.000 0.958 186 T CA 0.048 62.016 62.100 -0.221 0.000 1.157 186 T CB 0.250 69.048 68.868 -0.118 0.000 0.898 186 T HN 0.204 nan 8.240 nan 0.000 0.536 187 F N 3.283 123.139 119.950 -0.156 0.000 2.533 187 F HA 0.248 4.775 4.527 -0.000 0.000 0.378 187 F C 1.409 176.986 175.800 -0.372 0.000 1.070 187 F CA -0.031 57.833 58.000 -0.227 0.000 1.172 187 F CB 0.013 38.981 39.000 -0.054 0.000 1.085 187 F HN 0.438 nan 8.300 nan 0.000 0.552 188 T N 5.230 119.526 114.554 -0.429 0.000 2.906 188 T HA 0.683 5.033 4.350 -0.000 0.000 0.295 188 T C -1.072 173.308 174.700 -0.532 0.000 1.061 188 T CA -0.698 61.079 62.100 -0.538 0.000 1.000 188 T CB 2.246 70.701 68.868 -0.689 0.000 1.103 188 T HN 0.514 nan 8.240 nan 0.000 0.486 189 I N 1.879 122.288 120.570 -0.268 0.000 2.644 189 I HA 0.408 4.578 4.170 -0.000 0.000 0.291 189 I C -1.419 174.701 176.117 0.005 0.000 1.180 189 I CA -0.857 60.378 61.300 -0.109 0.000 1.040 189 I CB 1.912 39.818 38.000 -0.157 0.000 1.255 189 I HN 0.478 nan 8.210 nan 0.000 0.422 190 N N 5.455 124.207 118.700 0.086 0.000 2.492 190 N HA 0.053 4.793 4.740 -0.000 0.000 0.262 190 N C -0.507 175.045 175.510 0.070 0.000 1.202 190 N CA 0.095 53.194 53.050 0.082 0.000 0.926 190 N CB 0.619 39.160 38.487 0.091 0.000 1.078 190 N HN 0.542 nan 8.380 nan 0.000 0.454 191 E N 1.102 121.344 120.200 0.070 0.000 2.415 191 E HA 0.113 4.463 4.350 -0.000 0.000 0.260 191 E C -0.683 175.960 176.600 0.072 0.000 1.016 191 E CA 0.267 56.712 56.400 0.076 0.000 0.924 191 E CB 0.323 30.064 29.700 0.069 0.000 0.961 191 E HN 0.427 nan 8.360 nan 0.000 0.459 192 S N 2.694 118.444 115.700 0.084 0.000 2.671 192 S HA 0.561 5.031 4.470 -0.000 0.000 0.277 192 S C -1.417 173.234 174.600 0.084 0.000 1.165 192 S CA -0.648 57.599 58.200 0.078 0.000 0.822 192 S CB 2.191 65.438 63.200 0.078 0.000 1.150 192 S HN 0.429 nan 8.310 nan 0.000 0.479 193 T N 2.234 116.831 114.554 0.072 0.000 2.937 193 T HA 0.554 4.904 4.350 -0.000 0.000 0.297 193 T C -1.116 173.622 174.700 0.063 0.000 0.991 193 T CA -0.285 61.856 62.100 0.068 0.000 0.990 193 T CB 0.498 69.395 68.868 0.048 0.000 0.991 193 T HN 0.506 nan 8.240 nan 0.000 0.440 194 I N 3.996 124.614 120.570 0.079 0.000 2.418 194 I HA 0.480 4.650 4.170 -0.000 0.000 0.287 194 I C -1.032 175.087 176.117 0.004 0.000 1.008 194 I CA -1.008 60.330 61.300 0.064 0.000 1.104 194 I CB 1.741 39.819 38.000 0.130 0.000 1.264 194 I HN 0.464 nan 8.210 nan 0.000 0.438 195 I N 5.626 126.166 120.570 -0.050 0.000 2.355 195 I HA 0.418 4.588 4.170 -0.000 0.000 0.288 195 I C -0.477 175.522 176.117 -0.198 0.000 0.999 195 I CA 0.010 61.236 61.300 -0.123 0.000 1.163 195 I CB 1.159 39.113 38.000 -0.077 0.000 1.316 195 I HN 0.410 nan 8.210 nan 0.000 0.454 196 D N 3.862 124.018 120.400 -0.407 0.000 2.732 196 D HA 0.791 5.431 4.640 -0.000 0.000 0.229 196 D C -1.218 174.855 176.300 -0.378 0.000 1.152 196 D CA -0.215 53.559 54.000 -0.377 0.000 0.854 196 D CB 2.152 42.726 40.800 -0.376 0.000 1.590 196 D HN 0.520 nan 8.370 nan 0.000 0.468 197 S N 1.279 116.779 115.700 -0.334 0.000 2.547 197 S HA 0.743 5.213 4.470 -0.000 0.000 0.270 197 S C -3.076 170.941 174.600 -0.971 0.000 1.150 197 S CA -1.310 56.613 58.200 -0.461 0.000 0.850 197 S CB 1.882 64.900 63.200 -0.302 0.000 1.118 197 S HN 0.178 nan 8.310 nan 0.000 0.461 198 P HA 0.419 nan 4.420 nan 0.000 0.281 198 P C 0.327 177.235 177.300 -0.654 0.000 1.252 198 P CA -0.603 61.738 63.100 -1.264 0.000 0.778 198 P CB 0.745 31.996 31.700 -0.748 0.000 0.895 199 R N 2.204 122.356 120.500 -0.581 0.000 2.115 199 R HA 0.050 4.390 4.340 -0.000 0.000 0.226 199 R C -0.264 175.617 176.300 -0.699 0.000 1.100 199 R CA 1.142 56.899 56.100 -0.571 0.000 0.980 199 R CB 0.007 29.985 30.300 -0.535 0.000 0.875 199 R HN 0.375 nan 8.270 nan 0.000 0.445 200 F N -1.201 118.709 119.950 -0.066 0.000 2.576 200 F HA 0.209 4.736 4.527 -0.000 0.000 0.313 200 F C 1.121 176.923 175.800 0.005 0.000 1.078 200 F CA -0.836 57.180 58.000 0.027 0.000 0.921 200 F CB 2.220 41.292 39.000 0.120 0.000 1.232 200 F HN -0.123 nan 8.300 nan 0.000 0.459 201 S N -0.464 115.373 115.700 0.228 0.000 2.446 201 S HA -0.032 4.438 4.470 -0.000 0.000 0.225 201 S C 0.518 175.203 174.600 0.143 0.000 1.016 201 S CA 0.592 58.873 58.200 0.135 0.000 0.943 201 S CB -0.301 62.961 63.200 0.103 0.000 0.786 201 S HN 0.655 nan 8.310 nan 0.000 0.508 202 H N 2.168 121.281 119.070 0.072 0.000 2.724 202 H HA 0.459 5.015 4.556 -0.000 0.000 0.278 202 H C -0.889 174.466 175.328 0.045 0.000 1.159 202 H CA -0.407 55.651 56.048 0.018 0.000 1.254 202 H CB 0.169 29.889 29.762 -0.071 0.000 1.412 202 H HN 0.313 nan 8.280 nan 0.000 0.488 203 R N 3.613 124.077 120.500 -0.060 0.000 2.352 203 R HA 0.371 4.711 4.340 -0.000 0.000 0.304 203 R C -0.041 176.345 176.300 0.143 0.000 1.104 203 R CA -0.691 55.429 56.100 0.034 0.000 0.991 203 R CB 1.670 31.955 30.300 -0.024 0.000 1.140 203 R HN 0.549 nan 8.270 nan 0.000 0.540 204 G N 2.073 110.967 108.800 0.157 0.000 2.644 204 G HA2 0.681 4.641 3.960 -0.000 0.000 0.307 204 G HA3 0.681 4.641 3.960 -0.000 0.000 0.307 204 G C -0.837 174.117 174.900 0.089 0.000 1.250 204 G CA -0.451 44.726 45.100 0.128 0.000 0.996 204 G HN 0.240 nan 8.290 nan 0.000 0.489 205 I N 0.625 121.143 120.570 -0.088 0.000 2.534 205 I HA 0.320 4.490 4.170 -0.000 0.000 0.288 205 I C -0.793 175.185 176.117 -0.231 0.000 1.077 205 I CA -0.511 60.626 61.300 -0.273 0.000 1.051 205 I CB 1.642 39.363 38.000 -0.465 0.000 1.234 205 I HN 0.379 nan 8.210 nan 0.000 0.425 206 L N 8.072 129.087 121.223 -0.346 0.000 2.275 206 L HA 0.618 4.958 4.340 -0.000 0.000 0.288 206 L C -0.427 176.143 176.870 -0.500 0.000 1.046 206 L CA -0.426 54.136 54.840 -0.463 0.000 0.805 206 L CB 0.857 42.415 42.059 -0.835 0.000 1.193 206 L HN 0.571 nan 8.230 nan 0.000 0.426 207 I N 1.223 121.574 120.570 -0.365 0.000 2.530 207 I HA 0.535 4.705 4.170 -0.000 0.000 0.297 207 I C -1.204 174.791 176.117 -0.204 0.000 1.011 207 I CA -0.694 60.414 61.300 -0.319 0.000 1.107 207 I CB 1.950 39.760 38.000 -0.316 0.000 1.285 207 I HN 0.459 nan 8.210 nan 0.000 0.436 208 D N 4.313 124.628 120.400 -0.142 0.000 2.381 208 D HA 0.245 4.885 4.640 -0.000 0.000 0.235 208 D C 0.320 176.709 176.300 0.148 0.000 1.068 208 D CA -0.284 53.736 54.000 0.034 0.000 0.832 208 D CB 1.869 42.679 40.800 0.018 0.000 1.101 208 D HN 0.793 nan 8.370 nan 0.000 0.515 209 T N -0.151 114.563 114.554 0.267 0.000 3.215 209 T HA 0.142 4.492 4.350 -0.000 0.000 0.271 209 T C 1.098 176.016 174.700 0.363 0.000 1.012 209 T CA -0.240 62.069 62.100 0.349 0.000 0.899 209 T CB 0.370 69.565 68.868 0.544 0.000 1.089 209 T HN 0.136 nan 8.240 nan 0.000 0.552 210 S N 0.613 116.481 115.700 0.280 0.000 2.566 210 S HA 0.194 4.664 4.470 -0.000 0.000 0.234 210 S C 1.925 176.624 174.600 0.165 0.000 1.075 210 S CA -0.194 58.119 58.200 0.189 0.000 0.926 210 S CB 0.012 63.315 63.200 0.171 0.000 0.811 210 S HN 0.302 nan 8.310 nan 0.000 0.518 211 R N 0.638 121.236 120.500 0.163 0.000 2.148 211 R HA 0.244 4.584 4.340 -0.000 0.000 0.227 211 R C -0.107 176.134 176.300 -0.099 0.000 1.103 211 R CA 1.016 57.143 56.100 0.045 0.000 0.983 211 R CB -0.294 30.022 30.300 0.026 0.000 0.874 211 R HN 0.507 nan 8.270 nan 0.000 0.451 212 H N -2.410 116.833 119.070 0.288 0.000 3.083 212 H HA 0.145 4.701 4.556 -0.000 0.000 0.339 212 H C -1.642 173.897 175.328 0.351 0.000 1.020 212 H CA -0.941 55.281 56.048 0.289 0.000 1.360 212 H CB 1.017 30.862 29.762 0.138 0.000 1.811 212 H HN -0.001 nan 8.280 nan 0.000 0.493 213 Y N 4.172 124.752 120.300 0.468 0.000 2.620 213 Y HA 0.207 4.757 4.550 -0.000 0.000 0.330 213 Y C -0.960 175.116 175.900 0.293 0.000 1.186 213 Y CA -0.017 58.322 58.100 0.398 0.000 1.467 213 Y CB 0.321 39.086 38.460 0.509 0.000 1.262 213 Y HN 0.476 nan 8.280 nan 0.000 0.550 214 L N 9.523 130.512 121.223 -0.391 0.000 2.313 214 L HA 0.427 4.767 4.340 -0.000 0.000 0.283 214 L C -2.272 174.271 176.870 -0.545 0.000 1.013 214 L CA -2.346 52.309 54.840 -0.307 0.000 0.816 214 L CB 1.509 43.495 42.059 -0.121 0.000 1.236 214 L HN 0.569 nan 8.230 nan 0.000 0.419 215 P HA -0.016 nan 4.420 nan 0.000 0.265 215 P C 1.046 178.302 177.300 -0.073 0.000 1.193 215 P CA -0.206 62.815 63.100 -0.132 0.000 0.765 215 P CB 0.817 32.501 31.700 -0.026 0.000 0.823 216 V N 2.933 122.866 119.914 0.031 0.000 2.453 216 V HA -0.295 3.825 4.120 -0.000 0.000 0.252 216 V C 2.327 178.367 176.094 -0.090 0.000 1.068 216 V CA 2.014 64.323 62.300 0.015 0.000 1.070 216 V CB -0.952 30.922 31.823 0.085 0.000 0.664 216 V HN 0.599 nan 8.190 nan 0.000 0.461 217 K N 0.265 120.623 120.400 -0.069 0.000 2.044 217 K HA -0.167 4.153 4.320 -0.000 0.000 0.210 217 K C 1.954 178.488 176.600 -0.110 0.000 1.049 217 K CA 1.855 58.088 56.287 -0.091 0.000 0.927 217 K CB -0.466 32.004 32.500 -0.051 0.000 0.713 217 K HN 0.482 nan 8.250 nan 0.000 0.443 218 I N 0.010 120.522 120.570 -0.098 0.000 2.617 218 I HA -0.142 4.028 4.170 -0.000 0.000 0.256 218 I C 1.546 177.585 176.117 -0.131 0.000 1.167 218 I CA 0.737 61.981 61.300 -0.093 0.000 1.469 218 I CB 0.119 38.074 38.000 -0.075 0.000 1.098 218 I HN 0.190 nan 8.210 nan 0.000 0.436 219 I N 0.458 120.914 120.570 -0.191 0.000 2.202 219 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 219 I C 2.273 178.256 176.117 -0.222 0.000 1.091 219 I CA 1.271 62.409 61.300 -0.270 0.000 1.368 219 I CB -0.298 37.450 38.000 -0.420 0.000 1.058 219 I HN 0.199 nan 8.210 nan 0.000 0.410 220 L N 0.523 121.593 121.223 -0.255 0.000 2.093 220 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 220 L C 2.569 179.359 176.870 -0.133 0.000 1.085 220 L CA 1.300 55.935 54.840 -0.342 0.000 0.755 220 L CB -0.603 41.004 42.059 -0.754 0.000 0.904 220 L HN 0.219 nan 8.230 nan 0.000 0.435 221 K N -0.150 120.178 120.400 -0.120 0.000 2.148 221 K HA -0.123 4.197 4.320 -0.000 0.000 0.204 221 K C 2.005 178.568 176.600 -0.061 0.000 1.050 221 K CA 1.509 57.761 56.287 -0.059 0.000 0.942 221 K CB 0.066 32.538 32.500 -0.048 0.000 0.724 221 K HN 0.196 nan 8.250 nan 0.000 0.446 222 T N 1.544 116.071 114.554 -0.045 0.000 2.821 222 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 222 T C 1.688 176.371 174.700 -0.028 0.000 1.046 222 T CA 0.913 63.027 62.100 0.022 0.000 1.139 222 T CB -0.043 68.824 68.868 -0.001 0.000 0.871 222 T HN 0.146 nan 8.240 nan 0.000 0.454 223 L N 0.891 122.089 121.223 -0.042 0.000 2.083 223 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 223 L C 2.460 179.234 176.870 -0.161 0.000 1.083 223 L CA 1.078 55.902 54.840 -0.027 0.000 0.752 223 L CB -0.553 41.576 42.059 0.115 0.000 0.899 223 L HN 0.156 nan 8.230 nan 0.000 0.433 224 D N 0.293 120.570 120.400 -0.205 0.000 2.117 224 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 224 D C 2.221 177.838 176.300 -1.138 0.000 0.987 224 D CA 1.562 55.216 54.000 -0.577 0.000 0.829 224 D CB -0.002 40.609 40.800 -0.315 0.000 0.961 224 D HN 0.322 nan 8.370 nan 0.000 0.460 225 A N 0.549 122.936 122.820 -0.722 0.000 1.898 225 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 225 A C 2.275 179.385 177.584 -0.790 0.000 1.181 225 A CA 1.111 52.622 52.037 -0.876 0.000 0.620 225 A CB -0.502 17.754 19.000 -1.240 0.000 0.819 225 A HN 0.137 nan 8.150 nan 0.000 0.442 226 M N -0.463 118.902 119.600 -0.392 0.000 2.159 226 M HA -0.164 4.316 4.480 -0.000 0.000 0.263 226 M C 2.501 178.823 176.300 0.036 0.000 1.063 226 M CA 1.426 56.726 55.300 0.001 0.000 1.110 226 M CB -0.406 32.228 32.600 0.056 0.000 1.374 226 M HN 0.490 nan 8.290 nan 0.000 0.411 227 A N 0.185 122.878 122.820 -0.211 0.000 1.902 227 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 227 A C 1.702 179.246 177.584 -0.066 0.000 1.181 227 A CA 1.420 53.358 52.037 -0.165 0.000 0.623 227 A CB -0.873 17.946 19.000 -0.302 0.000 0.818 227 A HN 0.430 nan 8.150 nan 0.000 0.443 228 F N 0.453 120.344 119.950 -0.098 0.000 2.365 228 F HA -0.033 4.494 4.527 -0.000 0.000 0.300 228 F C 1.882 177.719 175.800 0.062 0.000 1.090 228 F CA 0.617 58.562 58.000 -0.093 0.000 1.408 228 F CB -0.628 38.218 39.000 -0.256 0.000 1.060 228 F HN 0.322 nan 8.300 nan 0.000 0.534 229 N N 0.173 119.027 118.700 0.256 0.000 2.203 229 N HA 0.010 4.750 4.740 -0.000 0.000 0.207 229 N C -0.010 175.568 175.510 0.114 0.000 1.130 229 N CA 0.054 53.306 53.050 0.337 0.000 0.861 229 N CB 0.283 39.163 38.487 0.656 0.000 1.005 229 N HN 0.141 nan 8.380 nan 0.000 0.507 230 K N 0.393 120.815 120.400 0.037 0.000 3.117 230 K HA -0.159 4.161 4.320 -0.000 0.000 0.269 230 K C -0.795 175.785 176.600 -0.033 0.000 1.098 230 K CA 0.474 56.686 56.287 -0.125 0.000 0.785 230 K CB -1.723 30.424 32.500 -0.588 0.000 1.242 230 K HN 0.114 nan 8.250 nan 0.000 0.491 231 F N 1.259 121.254 119.950 0.075 0.000 2.368 231 F HA 0.179 4.706 4.527 -0.000 0.000 0.315 231 F C 1.666 177.501 175.800 0.058 0.000 1.145 231 F CA 0.471 58.525 58.000 0.090 0.000 1.095 231 F CB 0.648 39.711 39.000 0.105 0.000 1.286 231 F HN 0.256 nan 8.300 nan 0.000 0.530 232 N N -1.868 116.966 118.700 0.224 0.000 2.110 232 N HA 0.264 5.004 4.740 -0.000 0.000 0.230 232 N C -1.814 173.701 175.510 0.010 0.000 1.353 232 N CA -0.111 52.996 53.050 0.096 0.000 0.807 232 N CB 0.720 39.245 38.487 0.064 0.000 1.244 232 N HN 0.187 nan 8.380 nan 0.000 0.504 233 V N 1.862 121.780 119.914 0.006 0.000 2.524 233 V HA 0.354 4.474 4.120 -0.000 0.000 0.297 233 V C -1.070 175.011 176.094 -0.022 0.000 1.035 233 V CA -0.698 61.553 62.300 -0.082 0.000 0.867 233 V CB 1.940 33.553 31.823 -0.350 0.000 1.004 233 V HN 0.220 nan 8.190 nan 0.000 0.426 234 L N 4.922 126.143 121.223 -0.003 0.000 2.288 234 L HA 0.473 4.813 4.340 -0.000 0.000 0.283 234 L C 0.221 177.113 176.870 0.037 0.000 1.072 234 L CA -0.039 54.795 54.840 -0.010 0.000 0.862 234 L CB 0.168 42.213 42.059 -0.023 0.000 1.245 234 L HN 0.736 nan 8.230 nan 0.000 0.432 235 H N 4.873 123.898 119.070 -0.075 0.000 3.330 235 H HA 0.007 4.563 4.556 -0.000 0.000 0.260 235 H C -0.770 174.535 175.328 -0.038 0.000 1.439 235 H CA -0.241 55.767 56.048 -0.067 0.000 1.540 235 H CB 0.181 29.873 29.762 -0.118 0.000 1.698 235 H HN 0.662 nan 8.280 nan 0.000 0.516 236 W N 7.499 128.764 121.300 -0.058 0.000 2.430 236 W HA 0.032 4.692 4.660 -0.000 0.000 0.380 236 W C -0.302 176.145 176.519 -0.121 0.000 1.045 236 W CA -0.603 56.673 57.345 -0.115 0.000 1.547 236 W CB -0.658 28.692 29.460 -0.183 0.000 1.554 236 W HN 0.643 nan 8.180 nan 0.000 0.378 237 H N 6.662 125.873 119.070 0.234 0.000 3.045 237 H HA 0.004 4.559 4.556 -0.000 0.000 0.254 237 H C 1.408 176.767 175.328 0.053 0.000 1.747 237 H CA 0.328 56.417 56.048 0.069 0.000 1.444 237 H CB -0.055 29.690 29.762 -0.029 0.000 1.778 237 H HN 0.583 nan 8.280 nan 0.000 0.544 238 I N 3.452 123.827 120.570 -0.325 0.000 2.252 238 I HA -0.171 3.998 4.170 -0.000 0.000 0.245 238 I C 0.332 176.275 176.117 -0.290 0.000 1.102 238 I CA 0.826 61.866 61.300 -0.434 0.000 1.385 238 I CB 0.409 37.679 38.000 -1.217 0.000 1.064 238 I HN 0.270 nan 8.210 nan 0.000 0.414 239 V N -2.227 117.411 119.914 -0.460 0.000 3.046 239 V HA 0.648 4.768 4.120 -0.000 0.000 0.316 239 V C -0.720 175.380 176.094 0.011 0.000 1.104 239 V CA -0.721 61.417 62.300 -0.270 0.000 1.006 239 V CB 1.866 33.345 31.823 -0.573 0.000 1.058 239 V HN 0.191 nan 8.190 nan 0.000 0.440 240 D N -0.553 119.973 120.400 0.210 0.000 3.213 240 D HA 0.149 4.789 4.640 -0.000 0.000 0.357 240 D C 0.023 176.505 176.300 0.304 0.000 1.446 240 D CA -0.059 54.135 54.000 0.323 0.000 0.893 240 D CB 1.734 42.736 40.800 0.338 0.000 1.466 240 D HN 0.557 nan 8.370 nan 0.000 0.541 241 D N -0.147 120.404 120.400 0.252 0.000 2.092 241 D HA -0.154 4.486 4.640 -0.000 0.000 0.193 241 D C 1.697 178.055 176.300 0.096 0.000 0.994 241 D CA 1.691 55.792 54.000 0.168 0.000 0.828 241 D CB 0.114 40.989 40.800 0.125 0.000 0.963 241 D HN 0.252 nan 8.370 nan 0.000 0.450 242 Q N 0.199 120.034 119.800 0.058 0.000 2.124 242 Q HA -0.021 4.319 4.340 -0.000 0.000 0.202 242 Q C 0.688 176.567 176.000 -0.202 0.000 0.977 242 Q CA 0.649 56.446 55.803 -0.009 0.000 0.850 242 Q CB 0.130 28.897 28.738 0.049 0.000 0.901 242 Q HN 0.265 nan 8.270 nan 0.000 0.429 243 S N -2.087 113.473 115.700 -0.233 0.000 2.588 243 S HA 0.585 5.055 4.470 -0.000 0.000 0.269 243 S C -1.509 173.055 174.600 -0.060 0.000 1.157 243 S CA -1.015 56.958 58.200 -0.378 0.000 0.824 243 S CB 0.799 63.335 63.200 -1.107 0.000 1.126 243 S HN 0.090 nan 8.310 nan 0.000 0.464 244 F N 2.923 122.771 119.950 -0.170 0.000 2.691 244 F HA 0.538 5.065 4.527 -0.000 0.000 0.371 244 F C -2.279 173.518 175.800 -0.005 0.000 1.159 244 F CA -1.971 55.977 58.000 -0.087 0.000 1.174 244 F CB 2.214 41.107 39.000 -0.179 0.000 1.419 244 F HN 0.437 nan 8.300 nan 0.000 0.514 245 P HA -0.090 nan 4.420 nan 0.000 0.245 245 P C -0.151 177.299 177.300 0.250 0.000 1.206 245 P CA 0.519 63.716 63.100 0.161 0.000 0.781 245 P CB -0.205 31.676 31.700 0.302 0.000 0.994 246 Y N 2.288 122.584 120.300 -0.007 0.000 2.480 246 Y HA 0.174 4.724 4.550 -0.000 0.000 0.341 246 Y C 0.727 176.796 175.900 0.281 0.000 1.031 246 Y CA -0.512 57.651 58.100 0.104 0.000 1.295 246 Y CB 0.220 38.658 38.460 -0.035 0.000 1.162 246 Y HN -0.131 nan 8.280 nan 0.000 0.523 247 Q N 5.447 125.052 119.800 -0.325 0.000 2.369 247 Q HA 0.179 4.519 4.340 -0.000 0.000 0.247 247 Q C -0.537 175.134 176.000 -0.548 0.000 1.083 247 Q CA -0.212 55.429 55.803 -0.270 0.000 0.905 247 Q CB 0.414 29.058 28.738 -0.158 0.000 1.305 247 Q HN 0.729 nan 8.270 nan 0.000 0.465 248 S N 3.700 119.284 115.700 -0.194 0.000 2.562 248 S HA 0.280 4.750 4.470 -0.000 0.000 0.275 248 S C 1.098 175.686 174.600 -0.021 0.000 1.281 248 S CA -0.560 57.621 58.200 -0.031 0.000 1.045 248 S CB 0.610 64.061 63.200 0.417 0.000 0.962 248 S HN 0.762 nan 8.310 nan 0.000 0.503 249 I N 3.093 123.633 120.570 -0.050 0.000 2.235 249 I HA -0.094 4.076 4.170 -0.000 0.000 0.241 249 I C 2.657 178.723 176.117 -0.085 0.000 1.085 249 I CA 1.327 62.587 61.300 -0.068 0.000 1.378 249 I CB -0.720 37.230 38.000 -0.083 0.000 1.076 249 I HN 0.816 nan 8.210 nan 0.000 0.415 250 T N -1.164 113.325 114.554 -0.108 0.000 2.915 250 T HA -0.097 4.253 4.350 -0.000 0.000 0.269 250 T C 0.489 174.835 174.700 -0.591 0.000 1.071 250 T CA 0.943 62.848 62.100 -0.326 0.000 1.132 250 T CB -0.370 68.301 68.868 -0.328 0.000 0.878 250 T HN 0.103 nan 8.240 nan 0.000 0.479 251 F N 1.392 121.397 119.950 0.092 0.000 2.809 251 F HA 0.431 4.958 4.527 -0.000 0.000 0.369 251 F C -2.328 173.505 175.800 0.054 0.000 1.225 251 F CA -2.601 55.465 58.000 0.111 0.000 1.201 251 F CB 2.040 41.180 39.000 0.234 0.000 1.527 251 F HN -0.084 nan 8.300 nan 0.000 0.565 252 P HA -0.095 nan 4.420 nan 0.000 0.223 252 P C 1.315 178.641 177.300 0.043 0.000 1.151 252 P CA 1.068 64.200 63.100 0.053 0.000 0.787 252 P CB 0.408 32.114 31.700 0.009 0.000 0.788 253 E N -0.489 119.746 120.200 0.059 0.000 2.347 253 E HA -0.020 4.330 4.350 -0.000 0.000 0.196 253 E C 1.941 178.494 176.600 -0.079 0.000 1.008 253 E CA 0.529 56.929 56.400 0.001 0.000 0.852 253 E CB -0.526 29.182 29.700 0.013 0.000 0.783 253 E HN 0.353 nan 8.360 nan 0.000 0.505 254 L N 0.931 122.083 121.223 -0.117 0.000 2.046 254 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 254 L C 2.530 179.213 176.870 -0.312 0.000 1.077 254 L CA 1.643 56.228 54.840 -0.424 0.000 0.747 254 L CB -0.398 41.243 42.059 -0.697 0.000 0.896 254 L HN 0.142 nan 8.230 nan 0.000 0.432 255 S N -1.619 114.065 115.700 -0.027 0.000 2.456 255 S HA -0.014 4.456 4.470 -0.000 0.000 0.224 255 S C 1.698 176.312 174.600 0.024 0.000 1.035 255 S CA 0.195 58.459 58.200 0.107 0.000 0.940 255 S CB -0.303 62.987 63.200 0.151 0.000 0.799 255 S HN 0.317 nan 8.310 nan 0.000 0.508 256 N N 2.033 120.729 118.700 -0.007 0.000 2.289 256 N HA 0.032 4.772 4.740 -0.000 0.000 0.184 256 N C 1.315 176.809 175.510 -0.027 0.000 1.016 256 N CA 1.041 54.082 53.050 -0.015 0.000 0.872 256 N CB -0.092 38.385 38.487 -0.016 0.000 0.973 256 N HN 0.496 nan 8.380 nan 0.000 0.433 257 K N -1.455 118.914 120.400 -0.052 0.000 2.435 257 K HA 0.249 4.569 4.320 -0.000 0.000 0.199 257 K C 1.534 178.092 176.600 -0.071 0.000 1.153 257 K CA 0.305 56.554 56.287 -0.063 0.000 0.974 257 K CB 0.717 33.166 32.500 -0.084 0.000 0.997 257 K HN 0.089 nan 8.250 nan 0.000 0.547 258 G N 1.702 110.455 108.800 -0.079 0.000 2.796 258 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.210 258 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.210 258 G C 0.731 175.622 174.900 -0.015 0.000 1.146 258 G CA 0.079 45.142 45.100 -0.062 0.000 0.779 258 G HN 0.282 nan 8.290 nan 0.000 0.535 259 S N -0.804 114.897 115.700 0.002 0.000 2.634 259 S HA 0.303 4.773 4.470 -0.000 0.000 0.261 259 S C 0.989 175.542 174.600 -0.077 0.000 1.271 259 S CA -0.502 57.675 58.200 -0.038 0.000 0.985 259 S CB 0.637 63.847 63.200 0.017 0.000 0.968 259 S HN 0.111 nan 8.310 nan 0.000 0.568 260 Y N 1.280 121.544 120.300 -0.059 0.000 2.200 260 Y HA 0.080 4.630 4.550 -0.000 0.000 0.290 260 Y C 1.707 177.516 175.900 -0.152 0.000 1.137 260 Y CA 1.122 59.122 58.100 -0.166 0.000 1.163 260 Y CB -0.558 37.671 38.460 -0.386 0.000 0.988 260 Y HN 0.960 nan 8.280 nan 0.000 0.518 261 S N -2.439 113.297 115.700 0.060 0.000 2.615 261 S HA 0.282 4.752 4.470 -0.000 0.000 0.269 261 S C -0.035 174.595 174.600 0.048 0.000 1.161 261 S CA -0.811 57.425 58.200 0.060 0.000 0.817 261 S CB 0.546 63.801 63.200 0.092 0.000 1.131 261 S HN 0.061 nan 8.310 nan 0.000 0.467 262 L N 1.714 122.949 121.223 0.020 0.000 2.642 262 L HA -0.009 4.331 4.340 -0.000 0.000 0.236 262 L C 2.274 179.117 176.870 -0.046 0.000 1.169 262 L CA 1.229 56.062 54.840 -0.011 0.000 0.851 262 L CB -0.736 41.317 42.059 -0.010 0.000 0.968 262 L HN 0.901 nan 8.230 nan 0.000 0.453 263 S N -3.194 112.475 115.700 -0.051 0.000 2.497 263 S HA 0.003 4.473 4.470 -0.000 0.000 0.221 263 S C 1.129 175.459 174.600 -0.450 0.000 1.037 263 S CA -0.274 57.821 58.200 -0.175 0.000 0.920 263 S CB -0.098 63.011 63.200 -0.153 0.000 0.800 263 S HN 0.404 nan 8.310 nan 0.000 0.505 264 H N 1.613 120.377 119.070 -0.510 0.000 2.768 264 H HA 0.539 5.095 4.556 -0.000 0.000 0.219 264 H C -0.811 174.045 175.328 -0.786 0.000 1.898 264 H CA 0.014 55.403 56.048 -1.099 0.000 1.313 264 H CB -0.140 29.286 29.762 -0.560 0.000 1.701 264 H HN 0.179 nan 8.280 nan 0.000 0.534 265 V N 1.539 121.126 119.914 -0.546 0.000 3.007 265 V HA 0.178 4.298 4.120 -0.000 0.000 0.311 265 V C -0.955 175.051 176.094 -0.147 0.000 1.120 265 V CA -0.944 61.231 62.300 -0.207 0.000 0.980 265 V CB 2.462 34.235 31.823 -0.084 0.000 1.033 265 V HN 0.307 nan 8.190 nan 0.000 0.429 266 Y N 1.669 122.096 120.300 0.210 0.000 2.491 266 Y HA 0.452 5.002 4.550 -0.000 0.000 0.334 266 Y C 1.109 177.030 175.900 0.035 0.000 0.969 266 Y CA -0.762 57.456 58.100 0.198 0.000 1.241 266 Y CB 1.193 39.815 38.460 0.271 0.000 1.105 266 Y HN 0.765 nan 8.280 nan 0.000 0.503 267 T N 0.424 115.070 114.554 0.154 0.000 2.856 267 T HA 0.096 4.446 4.350 -0.000 0.000 0.306 267 T C -1.761 172.952 174.700 0.022 0.000 1.062 267 T CA -1.573 60.552 62.100 0.041 0.000 1.083 267 T CB 1.102 69.992 68.868 0.037 0.000 0.984 267 T HN 0.271 nan 8.240 nan 0.000 0.542 268 P HA -0.127 nan 4.420 nan 0.000 0.217 268 P C 1.413 178.706 177.300 -0.011 0.000 1.148 268 P CA 1.030 64.095 63.100 -0.060 0.000 0.834 268 P CB -0.009 31.650 31.700 -0.068 0.000 0.783 269 N N -0.918 117.794 118.700 0.019 0.000 2.250 269 N HA -0.111 4.629 4.740 -0.000 0.000 0.181 269 N C 1.283 176.840 175.510 0.079 0.000 1.017 269 N CA 1.130 54.205 53.050 0.041 0.000 0.866 269 N CB -0.694 37.816 38.487 0.037 0.000 0.985 269 N HN -0.090 nan 8.380 nan 0.000 0.429 270 D N -0.284 120.186 120.400 0.117 0.000 2.149 270 D HA -0.111 4.529 4.640 -0.000 0.000 0.198 270 D C 1.951 178.380 176.300 0.215 0.000 0.990 270 D CA 0.765 54.879 54.000 0.190 0.000 0.839 270 D CB -0.182 40.803 40.800 0.307 0.000 0.948 270 D HN 0.098 nan 8.370 nan 0.000 0.460 271 V N 1.640 121.657 119.914 0.173 0.000 2.270 271 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 271 V C 2.488 178.645 176.094 0.105 0.000 1.043 271 V CA 2.031 64.418 62.300 0.144 0.000 1.014 271 V CB -0.562 31.246 31.823 -0.026 0.000 0.645 271 V HN 0.263 nan 8.190 nan 0.000 0.447 272 R N 0.396 120.924 120.500 0.046 0.000 2.237 272 R HA -0.085 4.255 4.340 -0.000 0.000 0.219 272 R C 2.129 178.504 176.300 0.125 0.000 1.080 272 R CA 1.681 57.817 56.100 0.060 0.000 0.995 272 R CB -0.483 29.839 30.300 0.036 0.000 0.875 272 R HN 0.504 nan 8.270 nan 0.000 0.462 273 M N 0.895 120.571 119.600 0.126 0.000 2.156 273 M HA -0.076 4.404 4.480 -0.000 0.000 0.264 273 M C 1.707 178.104 176.300 0.162 0.000 1.067 273 M CA 1.322 56.700 55.300 0.131 0.000 1.131 273 M CB 0.204 32.857 32.600 0.089 0.000 1.368 273 M HN 0.098 nan 8.290 nan 0.000 0.416 274 V N 0.966 120.976 119.914 0.161 0.000 2.295 274 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 274 V C 2.271 178.508 176.094 0.238 0.000 1.049 274 V CA 1.879 64.274 62.300 0.158 0.000 1.024 274 V CB -0.675 31.238 31.823 0.150 0.000 0.648 274 V HN 0.503 nan 8.190 nan 0.000 0.447 275 I N 0.146 120.869 120.570 0.255 0.000 2.127 275 I HA -0.250 3.920 4.170 -0.000 0.000 0.241 275 I C 2.647 178.965 176.117 0.335 0.000 1.075 275 I CA 1.983 63.449 61.300 0.276 0.000 1.334 275 I CB -0.402 37.716 38.000 0.196 0.000 1.040 275 I HN 0.347 nan 8.210 nan 0.000 0.405 276 E N 0.656 121.039 120.200 0.305 0.000 2.106 276 E HA -0.272 4.078 4.350 -0.000 0.000 0.192 276 E C 2.112 178.848 176.600 0.226 0.000 0.984 276 E CA 1.423 57.986 56.400 0.273 0.000 0.806 276 E CB -0.482 29.344 29.700 0.209 0.000 0.750 276 E HN 0.492 nan 8.360 nan 0.000 0.458 277 Y N 0.058 120.425 120.300 0.111 0.000 2.274 277 Y HA -0.119 4.431 4.550 -0.000 0.000 0.290 277 Y C 2.048 177.994 175.900 0.076 0.000 1.145 277 Y CA 1.762 59.906 58.100 0.074 0.000 1.203 277 Y CB -0.379 38.108 38.460 0.045 0.000 0.984 277 Y HN 0.157 nan 8.280 nan 0.000 0.533 278 A N 0.099 123.053 122.820 0.223 0.000 1.930 278 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 278 A C 2.332 179.994 177.584 0.130 0.000 1.176 278 A CA 1.228 53.354 52.037 0.148 0.000 0.632 278 A CB -0.653 18.453 19.000 0.176 0.000 0.819 278 A HN 0.469 nan 8.150 nan 0.000 0.445 279 R N -0.050 120.563 120.500 0.188 0.000 2.083 279 R HA -0.084 4.256 4.340 -0.000 0.000 0.237 279 R C 1.747 178.146 176.300 0.164 0.000 1.137 279 R CA 1.573 57.793 56.100 0.200 0.000 0.951 279 R CB -0.457 29.936 30.300 0.155 0.000 0.851 279 R HN 0.530 nan 8.270 nan 0.000 0.434 280 L N 0.047 121.308 121.223 0.063 0.000 2.447 280 L HA -0.134 4.206 4.340 -0.000 0.000 0.225 280 L C 1.638 178.540 176.870 0.053 0.000 1.148 280 L CA 1.204 56.058 54.840 0.023 0.000 0.808 280 L CB -0.156 41.862 42.059 -0.069 0.000 0.928 280 L HN 0.172 nan 8.230 nan 0.000 0.448 281 R N -0.576 119.958 120.500 0.056 0.000 2.543 281 R HA 0.218 4.558 4.340 -0.000 0.000 0.323 281 R C 0.983 177.379 176.300 0.159 0.000 1.002 281 R CA 0.409 56.556 56.100 0.078 0.000 1.106 281 R CB 0.802 31.082 30.300 -0.033 0.000 1.280 281 R HN 0.229 nan 8.270 nan 0.000 0.549 282 G N 1.871 110.821 108.800 0.250 0.000 2.273 282 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.280 282 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.280 282 G C -0.002 174.944 174.900 0.077 0.000 1.047 282 G CA 0.161 45.415 45.100 0.257 0.000 0.869 282 G HN 0.285 nan 8.290 nan 0.000 0.502 283 I N -0.251 120.369 120.570 0.082 0.000 2.378 283 I HA 0.430 4.600 4.170 -0.000 0.000 0.291 283 I C 0.793 176.952 176.117 0.070 0.000 0.992 283 I CA -1.020 60.318 61.300 0.063 0.000 1.154 283 I CB 1.453 39.498 38.000 0.075 0.000 1.315 283 I HN 0.029 nan 8.210 nan 0.000 0.448 284 R N 4.208 124.728 120.500 0.034 0.000 2.459 284 R HA 0.516 4.856 4.340 -0.000 0.000 0.281 284 R C -0.877 175.471 176.300 0.080 0.000 1.050 284 R CA -0.634 55.500 56.100 0.057 0.000 1.055 284 R CB 1.465 31.774 30.300 0.016 0.000 1.045 284 R HN 0.343 nan 8.270 nan 0.000 0.495 285 V N 4.614 124.603 119.914 0.125 0.000 2.294 285 V HA 0.131 4.251 4.120 -0.000 0.000 0.272 285 V C -0.661 175.489 176.094 0.093 0.000 1.027 285 V CA -0.645 61.752 62.300 0.162 0.000 0.823 285 V CB 1.018 33.024 31.823 0.305 0.000 1.030 285 V HN 0.442 nan 8.190 nan 0.000 0.457 286 L N 9.892 131.122 121.223 0.011 0.000 2.295 286 L HA 0.569 4.909 4.340 -0.000 0.000 0.288 286 L C -2.175 174.557 176.870 -0.230 0.000 1.079 286 L CA -1.562 53.217 54.840 -0.102 0.000 0.830 286 L CB 0.888 42.862 42.059 -0.141 0.000 1.200 286 L HN 0.335 nan 8.230 nan 0.000 0.438 287 P HA 0.232 nan 4.420 nan 0.000 0.282 287 P C -1.342 175.730 177.300 -0.379 0.000 1.249 287 P CA -0.406 62.281 63.100 -0.688 0.000 0.806 287 P CB 1.211 31.979 31.700 -1.553 0.000 0.984 288 E N 2.270 122.208 120.200 -0.436 0.000 2.260 288 E HA 0.373 4.723 4.350 -0.000 0.000 0.266 288 E C -1.651 174.721 176.600 -0.380 0.000 0.887 288 E CA -0.585 55.703 56.400 -0.187 0.000 0.777 288 E CB 0.870 30.514 29.700 -0.093 0.000 1.205 288 E HN 0.247 nan 8.360 nan 0.000 0.414 289 F N 3.212 123.233 119.950 0.118 0.000 2.371 289 F HA 0.181 4.708 4.527 -0.000 0.000 0.343 289 F C 0.230 176.248 175.800 0.363 0.000 1.150 289 F CA -0.894 57.277 58.000 0.286 0.000 1.220 289 F CB 0.718 39.979 39.000 0.434 0.000 1.475 289 F HN 0.402 nan 8.300 nan 0.000 0.521 290 D N 2.689 123.285 120.400 0.326 0.000 2.581 290 D HA 0.053 4.692 4.640 -0.000 0.000 0.238 290 D C 0.088 176.505 176.300 0.195 0.000 1.145 290 D CA 0.880 55.085 54.000 0.342 0.000 0.866 290 D CB 0.701 41.717 40.800 0.360 0.000 1.151 290 D HN 0.497 nan 8.370 nan 0.000 0.500 291 T N 1.154 115.841 114.554 0.222 0.000 2.900 291 T HA 0.569 4.919 4.350 -0.000 0.000 0.303 291 T C -2.518 172.309 174.700 0.213 0.000 1.142 291 T CA -1.316 60.834 62.100 0.084 0.000 1.007 291 T CB 2.478 71.449 68.868 0.171 0.000 1.156 291 T HN 0.120 nan 8.240 nan 0.000 0.490 292 P HA 0.247 nan 4.420 nan 0.000 0.268 292 P C 1.238 178.400 177.300 -0.230 0.000 1.329 292 P CA -0.068 62.872 63.100 -0.267 0.000 0.899 292 P CB 0.048 31.366 31.700 -0.636 0.000 1.378 293 G N 0.873 109.588 108.800 -0.143 0.000 2.752 293 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.209 293 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.209 293 G C 0.638 175.386 174.900 -0.254 0.000 1.392 293 G CA 0.117 45.068 45.100 -0.248 0.000 0.873 293 G HN 0.303 nan 8.290 nan 0.000 0.586 294 H N 1.729 120.750 119.070 -0.081 0.000 4.163 294 H HA 0.132 4.688 4.556 -0.000 0.000 0.214 294 H C 0.575 175.903 175.328 -0.001 0.000 1.465 294 H CA 1.113 57.148 56.048 -0.023 0.000 1.517 294 H CB -0.779 29.016 29.762 0.054 0.000 1.790 294 H HN 0.384 nan 8.280 nan 0.000 0.743 295 T N -1.556 112.985 114.554 -0.022 0.000 3.460 295 T HA 0.078 4.428 4.350 -0.000 0.000 0.304 295 T C 1.384 176.144 174.700 0.100 0.000 0.991 295 T CA -0.387 61.660 62.100 -0.088 0.000 0.975 295 T CB -0.194 68.317 68.868 -0.595 0.000 1.196 295 T HN 0.065 nan 8.240 nan 0.000 0.490 296 L N 2.481 123.761 121.223 0.096 0.000 2.131 296 L HA 0.001 4.341 4.340 -0.000 0.000 0.210 296 L C 2.811 179.724 176.870 0.071 0.000 1.092 296 L CA 2.051 56.919 54.840 0.046 0.000 0.759 296 L CB -0.733 41.339 42.059 0.022 0.000 0.903 296 L HN 0.634 nan 8.230 nan 0.000 0.435 297 S N -2.757 113.059 115.700 0.194 0.000 2.461 297 S HA -0.161 4.309 4.470 -0.000 0.000 0.228 297 S C 1.708 176.343 174.600 0.059 0.000 1.005 297 S CA 0.164 58.441 58.200 0.129 0.000 0.942 297 S CB -0.787 62.522 63.200 0.181 0.000 0.776 297 S HN 0.448 nan 8.310 nan 0.000 0.514 298 W N 2.466 123.696 121.300 -0.117 0.000 2.402 298 W HA 0.266 4.926 4.660 -0.000 0.000 0.286 298 W C 2.575 178.871 176.519 -0.370 0.000 1.221 298 W CA 0.487 57.655 57.345 -0.294 0.000 1.257 298 W CB -1.042 28.302 29.460 -0.193 0.000 1.120 298 W HN 0.449 nan 8.180 nan 0.000 0.551 299 G N -0.077 108.662 108.800 -0.102 0.000 2.650 299 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.214 299 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.214 299 G C 1.630 176.344 174.900 -0.309 0.000 1.136 299 G CA 0.348 45.278 45.100 -0.284 0.000 0.789 299 G HN 0.011 nan 8.290 nan 0.000 0.536 300 K N 0.702 120.959 120.400 -0.237 0.000 2.026 300 K HA -0.048 4.272 4.320 -0.000 0.000 0.208 300 K C 2.176 178.662 176.600 -0.190 0.000 1.048 300 K CA 1.351 57.518 56.287 -0.201 0.000 0.929 300 K CB -0.442 31.968 32.500 -0.150 0.000 0.713 300 K HN 0.282 nan 8.250 nan 0.000 0.439 301 G N 0.207 108.876 108.800 -0.220 0.000 3.519 301 G HA2 0.025 3.985 3.960 -0.000 0.000 0.269 301 G HA3 0.025 3.985 3.960 -0.000 0.000 0.269 301 G C -0.160 174.620 174.900 -0.199 0.000 1.028 301 G CA -0.072 44.919 45.100 -0.181 0.000 0.809 301 G HN 0.116 nan 8.290 nan 0.000 0.521 302 Q N 1.651 121.288 119.800 -0.271 0.000 3.021 302 Q HA 0.233 4.573 4.340 -0.000 0.000 0.234 302 Q C 0.032 175.851 176.000 -0.302 0.000 0.930 302 Q CA -0.776 54.824 55.803 -0.338 0.000 0.714 302 Q CB 0.667 29.037 28.738 -0.613 0.000 1.325 302 Q HN 0.262 nan 8.270 nan 0.000 0.473 303 K N 1.549 121.826 120.400 -0.204 0.000 2.276 303 K HA 0.162 4.482 4.320 -0.000 0.000 0.259 303 K C -0.583 175.937 176.600 -0.133 0.000 1.001 303 K CA 0.256 56.448 56.287 -0.158 0.000 0.927 303 K CB 0.482 32.930 32.500 -0.087 0.000 0.969 303 K HN 0.584 nan 8.250 nan 0.000 0.490 304 D N -0.417 119.939 120.400 -0.073 0.000 3.059 304 D HA -0.180 4.460 4.640 -0.000 0.000 0.220 304 D C 0.636 176.890 176.300 -0.078 0.000 1.169 304 D CA 1.119 55.100 54.000 -0.031 0.000 0.902 304 D CB -0.942 39.849 40.800 -0.015 0.000 1.116 304 D HN 0.526 nan 8.370 nan 0.000 0.417 305 L N -0.435 120.698 121.223 -0.151 0.000 2.221 305 L HA 0.226 4.566 4.340 -0.000 0.000 0.202 305 L C 0.771 177.575 176.870 -0.111 0.000 1.074 305 L CA 0.976 55.698 54.840 -0.197 0.000 0.795 305 L CB 0.140 41.985 42.059 -0.356 0.000 0.960 305 L HN 0.085 nan 8.230 nan 0.000 0.458 306 L N 0.125 121.304 121.223 -0.074 0.000 2.399 306 L HA 0.271 4.610 4.340 -0.000 0.000 0.266 306 L C 0.111 177.082 176.870 0.169 0.000 1.114 306 L CA -0.548 54.311 54.840 0.031 0.000 0.804 306 L CB 1.025 43.087 42.059 0.006 0.000 1.146 306 L HN -0.060 nan 8.230 nan 0.000 0.451 307 T N 3.371 118.015 114.554 0.149 0.000 2.761 307 T HA 0.204 4.554 4.350 -0.000 0.000 0.296 307 T C -2.345 172.343 174.700 -0.020 0.000 0.934 307 T CA -0.933 61.233 62.100 0.110 0.000 1.091 307 T CB 0.553 69.546 68.868 0.208 0.000 0.896 307 T HN 0.337 nan 8.240 nan 0.000 0.515 308 P HA 0.227 nan 4.420 nan 0.000 0.276 308 P C -0.524 176.376 177.300 -0.666 0.000 1.253 308 P CA -0.510 62.200 63.100 -0.650 0.000 0.766 308 P CB 0.172 31.480 31.700 -0.654 0.000 0.845 309 c N 4.801 123.047 118.600 -0.589 0.000 2.499 309 c HA 0.309 4.879 4.570 -0.000 0.000 0.386 309 c C 0.589 174.418 174.090 -0.436 0.000 1.293 309 c CA -0.142 55.944 56.329 -0.406 0.000 1.884 309 c CB -1.528 40.825 42.510 -0.262 0.000 2.509 309 c HN 0.511 nan 8.230 nan 0.000 0.566 310 Y N 2.174 122.413 120.300 -0.102 0.000 2.376 310 Y HA 0.500 5.050 4.550 -0.000 0.000 0.325 310 Y C 0.971 176.833 175.900 -0.064 0.000 1.199 310 Y CA 0.750 58.803 58.100 -0.079 0.000 1.206 310 Y CB 1.205 39.635 38.460 -0.050 0.000 1.229 310 Y HN 0.969 nan 8.280 nan 0.000 0.480 318 S N -0.360 115.202 115.700 -0.231 0.000 2.513 318 S HA 0.777 5.247 4.470 -0.000 0.000 0.299 318 S C -1.592 172.783 174.600 -0.375 0.000 1.087 318 S CA -0.530 57.568 58.200 -0.170 0.000 1.012 318 S CB 0.474 63.596 63.200 -0.130 0.000 1.044 318 S HN 0.278 nan 8.310 nan 0.000 0.485 319 F N 1.857 121.735 119.950 -0.120 0.000 2.508 319 F HA 0.673 5.200 4.527 -0.000 0.000 0.325 319 F C 1.064 176.770 175.800 -0.156 0.000 1.090 319 F CA -0.378 57.541 58.000 -0.136 0.000 0.945 319 F CB 2.097 41.030 39.000 -0.113 0.000 1.156 319 F HN 0.745 nan 8.300 nan 0.000 0.463 320 G N 1.295 110.085 108.800 -0.018 0.000 2.849 320 G HA2 0.573 4.533 3.960 -0.000 0.000 0.174 320 G HA3 0.573 4.533 3.960 -0.000 0.000 0.174 320 G C -2.661 172.144 174.900 -0.157 0.000 1.370 320 G CA -1.220 43.788 45.100 -0.154 0.000 1.040 320 G HN 0.341 nan 8.290 nan 0.000 0.582 321 P HA 0.234 nan 4.420 nan 0.000 0.277 321 P C -0.006 177.248 177.300 -0.076 0.000 1.276 321 P CA -0.365 62.573 63.100 -0.269 0.000 0.788 321 P CB 0.845 32.246 31.700 -0.498 0.000 1.114 322 I N 0.831 121.337 120.570 -0.107 0.000 2.710 322 I HA -0.044 4.126 4.170 -0.000 0.000 0.286 322 I C 1.334 177.492 176.117 0.069 0.000 1.181 322 I CA 0.210 61.456 61.300 -0.090 0.000 1.430 322 I CB -0.374 37.481 38.000 -0.241 0.000 1.367 322 I HN 0.299 nan 8.210 nan 0.000 0.577 323 N N 9.241 127.965 118.700 0.039 0.000 2.405 323 N HA 0.118 4.858 4.740 -0.000 0.000 0.260 323 N C -1.886 173.560 175.510 -0.108 0.000 1.152 323 N CA -1.756 51.302 53.050 0.013 0.000 0.948 323 N CB 0.938 39.424 38.487 -0.001 0.000 1.111 323 N HN 0.290 nan 8.380 nan 0.000 0.485 324 P HA 0.120 nan 4.420 nan 0.000 0.258 324 P C 0.618 177.870 177.300 -0.080 0.000 1.416 324 P CA 0.245 63.348 63.100 0.006 0.000 0.927 324 P CB 0.118 31.854 31.700 0.060 0.000 1.444 325 T N -3.596 110.753 114.554 -0.341 0.000 3.038 325 T HA 0.154 4.504 4.350 -0.000 0.000 0.244 325 T C 0.743 175.342 174.700 -0.168 0.000 1.016 325 T CA 0.048 61.750 62.100 -0.664 0.000 1.098 325 T CB -0.582 67.833 68.868 -0.755 0.000 0.954 325 T HN -0.170 nan 8.240 nan 0.000 0.469 326 L N 4.072 125.266 121.223 -0.048 0.000 2.452 326 L HA 0.324 4.664 4.340 -0.000 0.000 0.267 326 L C 1.623 178.596 176.870 0.170 0.000 1.188 326 L CA -0.163 54.708 54.840 0.051 0.000 0.821 326 L CB 0.355 42.425 42.059 0.019 0.000 1.102 326 L HN 0.366 nan 8.230 nan 0.000 0.470 327 N N -0.781 118.034 118.700 0.190 0.000 2.446 327 N HA -0.123 4.617 4.740 -0.000 0.000 0.179 327 N C 1.212 176.853 175.510 0.217 0.000 1.054 327 N CA 1.091 54.297 53.050 0.260 0.000 0.905 327 N CB -0.745 37.863 38.487 0.201 0.000 0.973 327 N HN 0.741 nan 8.380 nan 0.000 0.448 328 T N -3.577 111.061 114.554 0.140 0.000 2.915 328 T HA -0.046 4.304 4.350 -0.000 0.000 0.269 328 T C 1.719 176.488 174.700 0.115 0.000 1.071 328 T CA 1.447 63.620 62.100 0.122 0.000 1.132 328 T CB -0.937 67.972 68.868 0.069 0.000 0.878 328 T HN 0.101 nan 8.240 nan 0.000 0.479 329 T N 1.174 115.748 114.554 0.034 0.000 2.674 329 T HA -0.029 4.321 4.350 -0.000 0.000 0.265 329 T C 1.418 176.117 174.700 -0.003 0.000 1.039 329 T CA 1.477 63.537 62.100 -0.068 0.000 1.150 329 T CB -0.535 68.150 68.868 -0.305 0.000 0.864 329 T HN 0.553 nan 8.240 nan 0.000 0.427 330 Y N 0.751 121.173 120.300 0.202 0.000 2.457 330 Y HA 0.118 4.668 4.550 -0.000 0.000 0.292 330 Y C 2.890 178.894 175.900 0.172 0.000 1.125 330 Y CA 0.321 58.520 58.100 0.165 0.000 1.254 330 Y CB -0.465 38.060 38.460 0.107 0.000 1.012 330 Y HN 0.158 nan 8.280 nan 0.000 0.555 331 S N -0.244 115.642 115.700 0.311 0.000 2.387 331 S HA -0.182 4.288 4.470 -0.000 0.000 0.226 331 S C 1.957 176.738 174.600 0.301 0.000 1.026 331 S CA 0.904 59.264 58.200 0.266 0.000 0.972 331 S CB -0.554 62.787 63.200 0.235 0.000 0.814 331 S HN 0.476 nan 8.310 nan 0.000 0.477 332 F N 2.196 122.234 119.950 0.146 0.000 2.113 332 F HA 0.069 4.596 4.527 -0.000 0.000 0.297 332 F C 1.740 177.632 175.800 0.152 0.000 1.103 332 F CA 1.433 59.481 58.000 0.080 0.000 1.248 332 F CB -0.486 38.432 39.000 -0.137 0.000 0.999 332 F HN 0.162 nan 8.300 nan 0.000 0.475 333 L N -0.164 121.113 121.223 0.090 0.000 2.131 333 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 333 L C 2.311 179.357 176.870 0.292 0.000 1.092 333 L CA 1.717 56.657 54.840 0.168 0.000 0.759 333 L CB -1.209 41.069 42.059 0.365 0.000 0.903 333 L HN 0.212 nan 8.230 nan 0.000 0.435 334 T N -1.345 113.345 114.554 0.227 0.000 2.737 334 T HA -0.157 4.193 4.350 -0.000 0.000 0.265 334 T C 1.907 176.707 174.700 0.166 0.000 1.038 334 T CA 1.902 64.119 62.100 0.195 0.000 1.144 334 T CB -0.279 68.685 68.868 0.160 0.000 0.866 334 T HN 0.342 nan 8.240 nan 0.000 0.434 335 T N 1.650 116.306 114.554 0.171 0.000 2.821 335 T HA 0.010 4.360 4.350 -0.000 0.000 0.267 335 T C 1.543 176.332 174.700 0.149 0.000 1.046 335 T CA 0.794 63.000 62.100 0.177 0.000 1.139 335 T CB -0.433 68.619 68.868 0.306 0.000 0.871 335 T HN 0.328 nan 8.240 nan 0.000 0.454 336 F N 1.093 120.983 119.950 -0.100 0.000 2.060 336 F HA 0.051 4.578 4.527 -0.000 0.000 0.295 336 F C 1.658 177.285 175.800 -0.289 0.000 1.120 336 F CA 1.036 58.861 58.000 -0.291 0.000 1.205 336 F CB -0.431 38.088 39.000 -0.802 0.000 0.986 336 F HN 0.059 nan 8.300 nan 0.000 0.470 337 F N 0.705 120.634 119.950 -0.035 0.000 2.451 337 F HA -0.097 4.430 4.527 -0.000 0.000 0.299 337 F C 2.216 177.938 175.800 -0.131 0.000 1.101 337 F CA 1.209 59.143 58.000 -0.109 0.000 1.436 337 F CB -0.647 38.362 39.000 0.016 0.000 1.074 337 F HN -0.051 nan 8.300 nan 0.000 0.553 338 K N 1.042 121.472 120.400 0.050 0.000 2.097 338 K HA -0.190 4.130 4.320 -0.000 0.000 0.205 338 K C 1.993 178.555 176.600 -0.062 0.000 1.050 338 K CA 1.558 57.851 56.287 0.010 0.000 0.938 338 K CB -0.374 32.139 32.500 0.021 0.000 0.718 338 K HN 0.351 nan 8.250 nan 0.000 0.442 339 E N -0.010 120.100 120.200 -0.150 0.000 2.072 339 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 339 E C 1.748 178.228 176.600 -0.200 0.000 0.985 339 E CA 1.168 57.456 56.400 -0.186 0.000 0.801 339 E CB -0.015 29.537 29.700 -0.247 0.000 0.750 339 E HN 0.203 nan 8.360 nan 0.000 0.452 340 I N 1.963 122.343 120.570 -0.318 0.000 2.208 340 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 340 I C 2.744 178.897 176.117 0.059 0.000 1.097 340 I CA 1.683 62.886 61.300 -0.162 0.000 1.363 340 I CB -1.749 36.059 38.000 -0.320 0.000 1.051 340 I HN 0.227 nan 8.210 nan 0.000 0.413 341 S N 0.475 116.188 115.700 0.021 0.000 2.399 341 S HA -0.171 4.299 4.470 -0.000 0.000 0.231 341 S C 1.763 176.362 174.600 -0.002 0.000 1.022 341 S CA 1.049 59.268 58.200 0.032 0.000 0.983 341 S CB -0.510 62.702 63.200 0.019 0.000 0.803 341 S HN 0.545 nan 8.310 nan 0.000 0.480 342 E N 0.797 120.977 120.200 -0.033 0.000 2.076 342 E HA -0.010 4.340 4.350 -0.000 0.000 0.190 342 E C 2.158 178.708 176.600 -0.083 0.000 0.979 342 E CA 1.046 57.416 56.400 -0.051 0.000 0.807 342 E CB -0.238 29.429 29.700 -0.056 0.000 0.761 342 E HN 0.388 nan 8.360 nan 0.000 0.454 343 V N 0.833 120.675 119.914 -0.120 0.000 2.244 343 V HA -0.158 3.962 4.120 -0.000 0.000 0.244 343 V C 0.758 176.651 176.094 -0.336 0.000 1.042 343 V CA 1.221 63.368 62.300 -0.254 0.000 1.006 343 V CB -0.334 31.273 31.823 -0.360 0.000 0.641 343 V HN 0.094 nan 8.190 nan 0.000 0.446 344 F N 1.956 121.854 119.950 -0.087 0.000 2.413 344 F HA 0.308 4.835 4.527 -0.000 0.000 0.359 344 F C -0.989 174.709 175.800 -0.171 0.000 1.122 344 F CA -2.144 55.791 58.000 -0.108 0.000 1.160 344 F CB 0.385 39.352 39.000 -0.055 0.000 1.146 344 F HN 0.103 nan 8.300 nan 0.000 0.514 345 P HA -0.120 nan 4.420 nan 0.000 0.225 345 P C 0.181 177.366 177.300 -0.191 0.000 1.156 345 P CA 0.567 63.465 63.100 -0.337 0.000 0.787 345 P CB 0.116 31.195 31.700 -1.036 0.000 0.802 346 D N 0.355 120.698 120.400 -0.095 0.000 2.478 346 D HA -0.070 4.570 4.640 -0.000 0.000 0.234 346 D C 1.075 177.368 176.300 -0.011 0.000 1.154 346 D CA 0.493 54.494 54.000 0.000 0.000 0.874 346 D CB 0.500 41.342 40.800 0.070 0.000 1.198 346 D HN 0.017 nan 8.370 nan 0.000 0.455 347 Q N 0.996 120.778 119.800 -0.031 0.000 2.415 347 Q HA 0.142 4.482 4.340 -0.000 0.000 0.206 347 Q C -0.591 175.089 176.000 -0.534 0.000 0.946 347 Q CA 0.335 55.986 55.803 -0.252 0.000 0.951 347 Q CB 0.185 28.733 28.738 -0.316 0.000 1.026 347 Q HN 0.388 nan 8.270 nan 0.000 0.510 348 F N 0.027 119.967 119.950 -0.017 0.000 2.578 348 F HA 0.496 5.023 4.527 -0.000 0.000 0.311 348 F C -0.458 175.312 175.800 -0.050 0.000 1.094 348 F CA -0.995 56.983 58.000 -0.037 0.000 0.923 348 F CB 1.734 40.710 39.000 -0.039 0.000 1.230 348 F HN -0.205 nan 8.300 nan 0.000 0.450 349 I N 2.153 122.807 120.570 0.141 0.000 2.439 349 I HA 0.186 4.356 4.170 -0.000 0.000 0.283 349 I C -0.782 175.386 176.117 0.084 0.000 1.023 349 I CA -0.620 60.736 61.300 0.093 0.000 1.100 349 I CB 1.643 39.717 38.000 0.122 0.000 1.238 349 I HN 0.622 nan 8.210 nan 0.000 0.445 350 H N 6.208 125.251 119.070 -0.044 0.000 3.017 350 H HA 0.204 4.760 4.556 -0.000 0.000 0.276 350 H C 0.697 176.055 175.328 0.050 0.000 1.062 350 H CA 0.099 56.090 56.048 -0.095 0.000 1.486 350 H CB 0.858 30.462 29.762 -0.263 0.000 1.507 350 H HN 0.599 nan 8.280 nan 0.000 0.508 351 L N 4.267 125.518 121.223 0.046 0.000 2.240 351 L HA 0.122 4.462 4.340 -0.000 0.000 0.211 351 L C 1.892 178.969 176.870 0.344 0.000 1.106 351 L CA 0.668 55.622 54.840 0.190 0.000 0.793 351 L CB -0.485 41.590 42.059 0.027 0.000 0.927 351 L HN 1.022 nan 8.230 nan 0.000 0.446 352 G N -0.191 108.835 108.800 0.378 0.000 2.947 352 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.251 352 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.251 352 G C 0.646 175.933 174.900 0.645 0.000 1.481 352 G CA -0.185 45.316 45.100 0.669 0.000 1.006 352 G HN 0.885 nan 8.290 nan 0.000 0.561 353 G N 0.507 109.622 108.800 0.525 0.000 2.368 353 G HA2 0.326 4.286 3.960 -0.000 0.000 0.290 353 G HA3 0.326 4.286 3.960 -0.000 0.000 0.290 353 G C -0.199 174.956 174.900 0.425 0.000 1.098 353 G CA 1.351 46.700 45.100 0.414 0.000 1.073 353 G HN 2.212 nan 8.290 nan 0.000 0.511 354 D N -0.898 119.708 120.400 0.342 0.000 2.527 354 D HA 0.494 5.133 4.640 -0.000 0.000 0.233 354 D C 0.504 176.845 176.300 0.069 0.000 1.063 354 D CA -0.833 53.285 54.000 0.196 0.000 0.880 354 D CB 0.654 41.346 40.800 -0.180 0.000 1.457 354 D HN 0.345 nan 8.370 nan 0.000 0.475 355 E N -0.619 119.618 120.200 0.061 0.000 2.328 355 E HA -0.143 4.207 4.350 -0.000 0.000 0.233 355 E C -0.531 175.909 176.600 -0.267 0.000 1.219 355 E CA 0.252 56.609 56.400 -0.072 0.000 0.717 355 E CB -1.043 28.623 29.700 -0.056 0.000 1.210 355 E HN 0.292 nan 8.360 nan 0.000 0.381 356 V N 1.511 121.255 119.914 -0.283 0.000 2.427 356 V HA 0.039 4.159 4.120 -0.000 0.000 0.268 356 V C 0.734 176.322 176.094 -0.842 0.000 1.046 356 V CA 0.333 62.349 62.300 -0.473 0.000 0.970 356 V CB 0.990 32.641 31.823 -0.287 0.000 1.001 356 V HN 0.162 nan 8.190 nan 0.000 0.476 357 E N 4.339 124.082 120.200 -0.762 0.000 2.152 357 E HA 0.265 4.615 4.350 -0.000 0.000 0.285 357 E C -0.355 175.745 176.600 -0.834 0.000 1.043 357 E CA -0.289 55.653 56.400 -0.764 0.000 0.839 357 E CB 0.705 30.118 29.700 -0.479 0.000 1.069 357 E HN 0.635 nan 8.360 nan 0.000 0.399 358 F N 2.272 121.994 119.950 -0.380 0.000 2.725 358 F HA 0.054 4.581 4.527 -0.000 0.000 0.303 358 F C 1.495 177.034 175.800 -0.435 0.000 1.167 358 F CA -0.123 57.625 58.000 -0.419 0.000 1.403 358 F CB -0.213 38.725 39.000 -0.103 0.000 1.077 358 F HN 0.222 nan 8.300 nan 0.000 0.537 359 K N -0.225 120.010 120.400 -0.275 0.000 2.057 359 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 359 K C 2.255 178.728 176.600 -0.212 0.000 1.050 359 K CA 1.084 57.244 56.287 -0.211 0.000 0.935 359 K CB -1.266 31.122 32.500 -0.187 0.000 0.715 359 K HN 0.419 nan 8.250 nan 0.000 0.439 360 c N 0.352 118.786 118.600 -0.277 0.000 2.467 360 c HA 0.010 4.580 4.570 -0.000 0.000 0.279 360 c C 2.307 176.362 174.090 -0.058 0.000 1.347 360 c CA -0.207 56.001 56.329 -0.202 0.000 1.748 360 c CB -1.015 41.338 42.510 -0.262 0.000 1.977 360 c HN 0.502 nan 8.230 nan 0.000 0.501 361 W N 1.067 122.261 121.300 -0.176 0.000 2.388 361 W HA -0.015 4.645 4.660 -0.000 0.000 0.294 361 W C 2.436 178.831 176.519 -0.207 0.000 1.212 361 W CA 1.232 58.487 57.345 -0.150 0.000 1.271 361 W CB -1.351 28.043 29.460 -0.110 0.000 1.126 361 W HN 0.527 nan 8.180 nan 0.000 0.535 362 E N 0.595 120.634 120.200 -0.268 0.000 2.077 362 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 362 E C 1.667 178.314 176.600 0.078 0.000 0.989 362 E CA 1.936 58.196 56.400 -0.232 0.000 0.800 362 E CB -0.205 29.298 29.700 -0.328 0.000 0.746 362 E HN 0.074 nan 8.360 nan 0.000 0.452 363 S N 0.113 115.848 115.700 0.059 0.000 2.768 363 S HA 0.092 4.562 4.470 -0.000 0.000 0.246 363 S C 0.097 174.835 174.600 0.230 0.000 1.006 363 S CA -0.484 57.788 58.200 0.120 0.000 1.075 363 S CB -0.328 62.926 63.200 0.090 0.000 0.786 363 S HN 0.150 nan 8.310 nan 0.000 0.468 364 N N 2.105 120.944 118.700 0.233 0.000 2.518 364 N HA 0.256 4.996 4.740 -0.000 0.000 0.254 364 N C -2.158 173.479 175.510 0.212 0.000 0.979 364 N CA -1.990 51.240 53.050 0.299 0.000 0.930 364 N CB 1.897 40.537 38.487 0.255 0.000 1.152 364 N HN 0.046 nan 8.380 nan 0.000 0.505 365 P HA -0.129 nan 4.420 nan 0.000 0.218 365 P C 0.644 178.003 177.300 0.099 0.000 1.148 365 P CA 1.242 64.389 63.100 0.078 0.000 0.822 365 P CB 0.580 32.272 31.700 -0.013 0.000 0.784 366 K N -0.115 120.359 120.400 0.124 0.000 2.057 366 K HA 0.004 4.324 4.320 -0.000 0.000 0.206 366 K C 2.215 178.891 176.600 0.125 0.000 1.050 366 K CA 1.050 57.405 56.287 0.113 0.000 0.935 366 K CB -0.955 31.613 32.500 0.113 0.000 0.715 366 K HN 0.190 nan 8.250 nan 0.000 0.439 367 I N 0.909 121.563 120.570 0.139 0.000 2.546 367 I HA -0.207 3.963 4.170 -0.000 0.000 0.255 367 I C 1.966 178.211 176.117 0.213 0.000 1.163 367 I CA 0.695 62.083 61.300 0.146 0.000 1.457 367 I CB -0.177 37.893 38.000 0.116 0.000 1.092 367 I HN 0.178 nan 8.210 nan 0.000 0.434 368 Q N 0.787 120.702 119.800 0.192 0.000 2.135 368 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 368 Q C 1.652 177.716 176.000 0.106 0.000 0.981 368 Q CA 1.533 57.433 55.803 0.161 0.000 0.856 368 Q CB -0.365 28.454 28.738 0.135 0.000 0.902 368 Q HN 0.526 nan 8.270 nan 0.000 0.425 369 D N -0.088 120.375 120.400 0.104 0.000 2.117 369 D HA -0.127 4.513 4.640 -0.000 0.000 0.197 369 D C 1.601 177.941 176.300 0.066 0.000 0.987 369 D CA 0.610 54.651 54.000 0.068 0.000 0.829 369 D CB -0.463 40.381 40.800 0.072 0.000 0.961 369 D HN 0.166 nan 8.370 nan 0.000 0.460 370 F N 0.906 120.839 119.950 -0.029 0.000 2.171 370 F HA -0.148 4.379 4.527 -0.000 0.000 0.300 370 F C 2.160 177.914 175.800 -0.078 0.000 1.090 370 F CA 1.021 58.980 58.000 -0.067 0.000 1.293 370 F CB -0.006 38.950 39.000 -0.073 0.000 1.013 370 F HN -0.172 nan 8.300 nan 0.000 0.486 371 M N -0.278 119.377 119.600 0.091 0.000 2.175 371 M HA -0.134 4.346 4.480 -0.000 0.000 0.264 371 M C 2.300 178.511 176.300 -0.149 0.000 1.063 371 M CA 1.470 56.779 55.300 0.015 0.000 1.119 371 M CB -1.264 31.345 32.600 0.014 0.000 1.377 371 M HN 0.188 nan 8.290 nan 0.000 0.415 372 R N 0.230 120.658 120.500 -0.121 0.000 2.127 372 R HA -0.061 4.279 4.340 -0.000 0.000 0.217 372 R C 2.048 178.224 176.300 -0.207 0.000 1.074 372 R CA 0.920 56.935 56.100 -0.141 0.000 0.991 372 R CB 0.090 30.344 30.300 -0.076 0.000 0.895 372 R HN 0.415 nan 8.270 nan 0.000 0.450 373 Q N -0.075 119.579 119.800 -0.243 0.000 2.079 373 Q HA -0.091 4.249 4.340 -0.000 0.000 0.200 373 Q C 1.672 177.421 176.000 -0.419 0.000 0.974 373 Q CA 1.200 56.832 55.803 -0.284 0.000 0.840 373 Q CB 0.230 28.811 28.738 -0.261 0.000 0.898 373 Q HN 0.160 nan 8.270 nan 0.000 0.430 374 K N -1.061 118.954 120.400 -0.641 0.000 2.137 374 K HA 0.060 4.380 4.320 -0.000 0.000 0.202 374 K C 1.073 177.184 176.600 -0.815 0.000 1.052 374 K CA 1.082 56.865 56.287 -0.840 0.000 0.961 374 K CB 0.452 32.175 32.500 -1.294 0.000 0.741 374 K HN 0.331 nan 8.250 nan 0.000 0.452 375 G N 1.406 109.783 108.800 -0.705 0.000 2.309 375 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.183 375 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.183 375 G C 0.155 174.788 174.900 -0.444 0.000 1.063 375 G CA -0.360 44.454 45.100 -0.478 0.000 0.768 375 G HN 0.135 nan 8.290 nan 0.000 0.490 376 F N 0.575 120.414 119.950 -0.185 0.000 2.746 376 F HA 0.414 4.941 4.527 -0.000 0.000 0.297 376 F C 2.263 177.938 175.800 -0.208 0.000 1.113 376 F CA 0.868 58.758 58.000 -0.183 0.000 1.367 376 F CB -0.058 38.821 39.000 -0.203 0.000 1.111 376 F HN 0.880 nan 8.300 nan 0.000 0.590 377 G N 1.117 109.879 108.800 -0.063 0.000 2.601 377 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.306 377 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.306 377 G C 1.001 175.784 174.900 -0.196 0.000 1.172 377 G CA 0.984 46.022 45.100 -0.103 0.000 0.966 377 G HN 0.461 nan 8.290 nan 0.000 0.542 378 T N -2.191 112.231 114.554 -0.220 0.000 3.132 378 T HA 0.447 4.797 4.350 -0.000 0.000 0.274 378 T C 0.115 174.546 174.700 -0.449 0.000 1.011 378 T CA 1.022 62.906 62.100 -0.359 0.000 0.899 378 T CB 0.755 69.574 68.868 -0.082 0.000 1.089 378 T HN 0.535 nan 8.240 nan 0.000 0.543 379 D N 1.107 121.292 120.400 -0.358 0.000 2.453 379 D HA 0.283 4.923 4.640 -0.000 0.000 0.223 379 D C 0.010 176.074 176.300 -0.392 0.000 1.183 379 D CA -1.243 52.602 54.000 -0.259 0.000 0.933 379 D CB -0.308 40.416 40.800 -0.127 0.000 1.038 379 D HN 0.241 nan 8.370 nan 0.000 0.513 380 F N 1.679 121.490 119.950 -0.232 0.000 2.748 380 F HA 0.102 4.629 4.527 -0.000 0.000 0.299 380 F C 2.093 177.498 175.800 -0.658 0.000 1.154 380 F CA 0.346 58.138 58.000 -0.348 0.000 1.446 380 F CB 0.061 38.931 39.000 -0.217 0.000 1.112 380 F HN 0.243 nan 8.300 nan 0.000 0.584 381 K N 0.247 120.358 120.400 -0.481 0.000 2.296 381 K HA -0.065 4.255 4.320 -0.000 0.000 0.200 381 K C 1.707 178.201 176.600 -0.177 0.000 1.048 381 K CA 0.784 56.864 56.287 -0.345 0.000 0.966 381 K CB -0.013 32.390 32.500 -0.162 0.000 0.754 381 K HN 0.226 nan 8.250 nan 0.000 0.466 382 K N 0.311 120.544 120.400 -0.278 0.000 2.314 382 K HA 0.005 4.325 4.320 -0.000 0.000 0.198 382 K C 1.769 177.995 176.600 -0.622 0.000 1.045 382 K CA 0.169 56.215 56.287 -0.402 0.000 0.988 382 K CB 0.157 32.383 32.500 -0.456 0.000 0.783 382 K HN -0.011 nan 8.250 nan 0.000 0.484 383 L N 1.951 122.869 121.223 -0.508 0.000 2.109 383 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 383 L C 2.159 178.971 176.870 -0.097 0.000 1.086 383 L CA 1.784 56.407 54.840 -0.362 0.000 0.760 383 L CB -0.260 41.645 42.059 -0.256 0.000 0.910 383 L HN 0.143 nan 8.230 nan 0.000 0.437 384 E N -1.091 119.155 120.200 0.076 0.000 2.106 384 E HA -0.174 4.175 4.350 -0.000 0.000 0.192 384 E C 1.958 178.717 176.600 0.264 0.000 0.984 384 E CA 1.220 57.825 56.400 0.341 0.000 0.806 384 E CB 0.050 30.066 29.700 0.526 0.000 0.750 384 E HN 0.580 nan 8.360 nan 0.000 0.458 385 S N 0.328 116.097 115.700 0.116 0.000 2.383 385 S HA -0.127 4.343 4.470 -0.000 0.000 0.227 385 S C 1.476 176.146 174.600 0.117 0.000 1.026 385 S CA 0.988 59.241 58.200 0.088 0.000 0.981 385 S CB -0.433 62.770 63.200 0.006 0.000 0.818 385 S HN 0.393 nan 8.310 nan 0.000 0.472 386 F N 1.316 121.250 119.950 -0.027 0.000 2.126 386 F HA -0.180 4.347 4.527 -0.000 0.000 0.299 386 F C 2.111 177.992 175.800 0.136 0.000 1.096 386 F CA 1.453 59.490 58.000 0.061 0.000 1.255 386 F CB -0.515 38.555 39.000 0.116 0.000 0.997 386 F HN 0.236 nan 8.300 nan 0.000 0.479 387 Y N 1.399 121.840 120.300 0.235 0.000 2.070 387 Y HA -0.225 4.325 4.550 -0.000 0.000 0.279 387 Y C 2.226 178.199 175.900 0.122 0.000 1.134 387 Y CA 2.443 60.688 58.100 0.242 0.000 1.113 387 Y CB -0.801 37.814 38.460 0.259 0.000 0.981 387 Y HN 0.158 nan 8.280 nan 0.000 0.487 388 I N -0.173 120.509 120.570 0.186 0.000 2.567 388 I HA -0.230 3.940 4.170 -0.000 0.000 0.257 388 I C 1.871 177.929 176.117 -0.098 0.000 1.184 388 I CA 1.473 62.795 61.300 0.037 0.000 1.451 388 I CB -1.088 37.021 38.000 0.180 0.000 1.089 388 I HN 0.327 nan 8.210 nan 0.000 0.441 389 Q N 0.714 120.447 119.800 -0.112 0.000 2.187 389 Q HA -0.058 4.282 4.340 -0.000 0.000 0.199 389 Q C 2.006 177.856 176.000 -0.250 0.000 0.957 389 Q CA 0.741 56.450 55.803 -0.156 0.000 0.857 389 Q CB -0.112 28.546 28.738 -0.132 0.000 0.929 389 Q HN 0.476 nan 8.270 nan 0.000 0.453 390 K N 0.295 120.475 120.400 -0.366 0.000 2.057 390 K HA -0.086 4.234 4.320 -0.000 0.000 0.206 390 K C 2.098 178.532 176.600 -0.277 0.000 1.050 390 K CA 0.955 56.993 56.287 -0.415 0.000 0.935 390 K CB -0.236 31.892 32.500 -0.620 0.000 0.715 390 K HN 0.091 nan 8.250 nan 0.000 0.439 391 V N 1.863 121.592 119.914 -0.309 0.000 2.307 391 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 391 V C 2.445 178.363 176.094 -0.294 0.000 1.045 391 V CA 1.300 63.403 62.300 -0.328 0.000 1.024 391 V CB -0.487 31.090 31.823 -0.411 0.000 0.651 391 V HN 0.182 nan 8.190 nan 0.000 0.449 392 L N 0.324 121.412 121.223 -0.225 0.000 2.187 392 L HA -0.216 4.124 4.340 -0.000 0.000 0.213 392 L C 2.298 179.078 176.870 -0.150 0.000 1.100 392 L CA 1.793 56.531 54.840 -0.171 0.000 0.765 392 L CB -0.548 41.439 42.059 -0.119 0.000 0.904 392 L HN 0.413 nan 8.230 nan 0.000 0.437 393 D N 0.225 120.530 120.400 -0.158 0.000 2.162 393 D HA -0.114 4.526 4.640 -0.000 0.000 0.203 393 D C 2.167 178.398 176.300 -0.115 0.000 0.967 393 D CA 0.962 54.885 54.000 -0.128 0.000 0.840 393 D CB 0.111 40.824 40.800 -0.144 0.000 0.972 393 D HN 0.252 nan 8.370 nan 0.000 0.482 394 I N 0.472 120.960 120.570 -0.137 0.000 2.315 394 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 394 I C 1.906 177.958 176.117 -0.109 0.000 1.117 394 I CA 0.468 61.708 61.300 -0.100 0.000 1.404 394 I CB -0.126 37.820 38.000 -0.089 0.000 1.071 394 I HN 0.100 nan 8.210 nan 0.000 0.419 395 I N 1.060 121.525 120.570 -0.173 0.000 2.439 395 I HA -0.172 3.998 4.170 -0.000 0.000 0.251 395 I C 2.796 178.853 176.117 -0.100 0.000 1.139 395 I CA 1.292 62.502 61.300 -0.150 0.000 1.438 395 I CB -1.532 36.350 38.000 -0.197 0.000 1.085 395 I HN 0.151 nan 8.210 nan 0.000 0.427 396 A N 0.695 123.460 122.820 -0.092 0.000 1.929 396 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 396 A C 2.417 179.970 177.584 -0.052 0.000 1.176 396 A CA 1.968 53.965 52.037 -0.067 0.000 0.628 396 A CB -0.919 18.047 19.000 -0.058 0.000 0.816 396 A HN 0.380 nan 8.150 nan 0.000 0.444 397 T N 0.948 115.473 114.554 -0.048 0.000 2.746 397 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 397 T C 1.105 175.790 174.700 -0.026 0.000 1.039 397 T CA 1.639 63.720 62.100 -0.032 0.000 1.142 397 T CB -0.518 68.336 68.868 -0.024 0.000 0.866 397 T HN 0.629 nan 8.240 nan 0.000 0.444 398 I N -0.093 120.460 120.570 -0.028 0.000 3.764 398 I HA 0.394 4.564 4.170 -0.000 0.000 0.336 398 I C -0.276 175.820 176.117 -0.036 0.000 1.465 398 I CA -1.156 60.131 61.300 -0.022 0.000 1.221 398 I CB -1.251 36.745 38.000 -0.007 0.000 1.348 398 I HN -0.092 nan 8.210 nan 0.000 0.432 399 N N 2.761 121.434 118.700 -0.045 0.000 2.642 399 N HA -0.235 4.505 4.740 -0.000 0.000 0.269 399 N C -0.437 175.017 175.510 -0.094 0.000 1.073 399 N CA 0.959 53.972 53.050 -0.060 0.000 0.748 399 N CB -0.421 38.039 38.487 -0.045 0.000 0.894 399 N HN 0.719 nan 8.380 nan 0.000 0.548 400 K N -0.751 119.578 120.400 -0.119 0.000 2.572 400 K HA 0.475 4.795 4.320 -0.000 0.000 0.263 400 K C 0.189 176.663 176.600 -0.210 0.000 0.932 400 K CA -0.454 55.721 56.287 -0.187 0.000 0.838 400 K CB 1.408 33.825 32.500 -0.139 0.000 1.366 400 K HN 0.194 nan 8.250 nan 0.000 0.425 401 G N 0.525 109.093 108.800 -0.387 0.000 2.562 401 G HA2 0.449 4.409 3.960 -0.000 0.000 0.275 401 G HA3 0.449 4.409 3.960 -0.000 0.000 0.275 401 G C -0.855 174.058 174.900 0.020 0.000 1.196 401 G CA -0.299 44.661 45.100 -0.234 0.000 0.908 401 G HN 0.372 nan 8.290 nan 0.000 0.524 402 S N -0.687 115.109 115.700 0.160 0.000 2.538 402 S HA 0.517 4.987 4.470 -0.000 0.000 0.288 402 S C -0.473 174.131 174.600 0.006 0.000 1.108 402 S CA -0.361 57.883 58.200 0.072 0.000 0.971 402 S CB 1.452 64.619 63.200 -0.055 0.000 1.041 402 S HN 0.478 nan 8.310 nan 0.000 0.483 403 I N 2.430 122.912 120.570 -0.147 0.000 2.412 403 I HA 0.682 4.852 4.170 -0.000 0.000 0.296 403 I C -0.514 175.152 176.117 -0.752 0.000 0.987 403 I CA -0.878 60.174 61.300 -0.414 0.000 1.180 403 I CB 1.704 39.440 38.000 -0.440 0.000 1.340 403 I HN 0.306 nan 8.210 nan 0.000 0.455 404 V N 5.817 125.347 119.914 -0.639 0.000 3.114 404 V HA 0.457 4.577 4.120 -0.000 0.000 0.308 404 V C -1.159 174.777 176.094 -0.264 0.000 1.168 404 V CA -0.539 61.462 62.300 -0.499 0.000 1.015 404 V CB 2.390 34.117 31.823 -0.159 0.000 1.050 404 V HN 0.726 nan 8.190 nan 0.000 0.433 405 W N 2.066 123.470 121.300 0.174 0.000 1.992 405 W HA 0.268 4.928 4.660 -0.000 0.000 0.360 405 W C 1.660 178.351 176.519 0.286 0.000 1.369 405 W CA 0.568 58.114 57.345 0.333 0.000 1.403 405 W CB 0.411 30.108 29.460 0.396 0.000 1.215 405 W HN 0.736 nan 8.180 nan 0.000 0.643 406 Q N -0.483 119.721 119.800 0.674 0.000 2.311 406 Q HA -0.125 4.215 4.340 -0.000 0.000 0.203 406 Q C 1.193 177.425 176.000 0.385 0.000 0.954 406 Q CA 1.361 57.416 55.803 0.419 0.000 0.885 406 Q CB -0.210 28.702 28.738 0.291 0.000 0.963 406 Q HN 0.510 nan 8.270 nan 0.000 0.471 407 E N 0.794 121.250 120.200 0.426 0.000 2.331 407 E HA -0.126 4.224 4.350 -0.000 0.000 0.199 407 E C 1.698 178.477 176.600 0.299 0.000 1.008 407 E CA 1.147 57.746 56.400 0.330 0.000 0.843 407 E CB 0.071 29.968 29.700 0.330 0.000 0.761 407 E HN 0.237 nan 8.360 nan 0.000 0.507 408 V N -0.274 119.825 119.914 0.309 0.000 2.446 408 V HA -0.122 3.998 4.120 -0.000 0.000 0.244 408 V C 1.730 177.939 176.094 0.193 0.000 1.039 408 V CA 1.274 63.717 62.300 0.238 0.000 1.045 408 V CB -0.371 31.576 31.823 0.206 0.000 0.681 408 V HN 0.279 nan 8.190 nan 0.000 0.459 409 F N 1.782 121.775 119.950 0.073 0.000 2.146 409 F HA -0.168 4.359 4.527 -0.000 0.000 0.298 409 F C 2.070 177.912 175.800 0.070 0.000 1.096 409 F CA 1.906 59.925 58.000 0.031 0.000 1.275 409 F CB -0.233 38.778 39.000 0.019 0.000 1.008 409 F HN 0.224 nan 8.300 nan 0.000 0.480 410 D N 0.059 120.554 120.400 0.158 0.000 2.144 410 D HA -0.124 4.516 4.640 -0.000 0.000 0.199 410 D C 0.632 176.921 176.300 -0.018 0.000 0.984 410 D CA 1.613 55.650 54.000 0.061 0.000 0.834 410 D CB -0.455 40.439 40.800 0.156 0.000 0.955 410 D HN 0.472 nan 8.370 nan 0.000 0.465 411 D N -0.453 119.969 120.400 0.038 0.000 2.957 411 D HA 0.236 4.876 4.640 -0.000 0.000 0.352 411 D C -0.232 176.078 176.300 0.017 0.000 1.352 411 D CA -0.436 53.586 54.000 0.036 0.000 0.831 411 D CB 0.418 41.284 40.800 0.110 0.000 1.147 411 D HN 0.025 nan 8.370 nan 0.000 0.467 412 K N -0.407 119.963 120.400 -0.050 0.000 3.237 412 K HA -0.009 4.311 4.320 -0.000 0.000 0.258 412 K C -0.669 175.897 176.600 -0.057 0.000 1.283 412 K CA 0.317 56.539 56.287 -0.108 0.000 0.770 412 K CB -1.322 31.137 32.500 -0.068 0.000 1.707 412 K HN 0.413 nan 8.250 nan 0.000 0.542 413 A N 1.017 123.815 122.820 -0.036 0.000 2.295 413 A HA 0.654 4.974 4.320 -0.000 0.000 0.318 413 A C -0.316 177.268 177.584 0.000 0.000 1.134 413 A CA -0.521 51.515 52.037 -0.002 0.000 0.827 413 A CB 0.659 19.671 19.000 0.020 0.000 1.136 413 A HN 0.133 nan 8.150 nan 0.000 0.493 414 K N 0.798 121.214 120.400 0.026 0.000 2.322 414 K HA 0.536 4.856 4.320 -0.000 0.000 0.283 414 K C -0.848 175.778 176.600 0.043 0.000 1.042 414 K CA 0.564 56.889 56.287 0.064 0.000 0.958 414 K CB 0.442 32.982 32.500 0.066 0.000 0.984 414 K HN 0.516 nan 8.250 nan 0.000 0.473 415 L N 1.671 122.947 121.223 0.087 0.000 2.346 415 L HA 0.618 4.958 4.340 -0.000 0.000 0.274 415 L C -0.053 176.941 176.870 0.208 0.000 1.007 415 L CA -1.550 53.297 54.840 0.013 0.000 0.818 415 L CB 2.027 43.860 42.059 -0.377 0.000 1.284 415 L HN 0.625 nan 8.230 nan 0.000 0.424 416 A N 3.302 126.201 122.820 0.131 0.000 2.409 416 A HA 0.516 4.836 4.320 -0.000 0.000 0.262 416 A C -2.229 175.499 177.584 0.240 0.000 1.113 416 A CA -1.281 50.847 52.037 0.152 0.000 0.790 416 A CB -0.468 18.573 19.000 0.068 0.000 1.046 416 A HN 0.439 nan 8.150 nan 0.000 0.496 417 P HA 0.081 nan 4.420 nan 0.000 0.257 417 P C 0.983 178.388 177.300 0.176 0.000 1.162 417 P CA 1.847 65.063 63.100 0.192 0.000 0.762 417 P CB 0.344 32.094 31.700 0.084 0.000 0.753 418 G N 2.234 111.169 108.800 0.225 0.000 2.316 418 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.203 418 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.203 418 G C 0.215 175.247 174.900 0.220 0.000 0.999 418 G CA -0.279 44.942 45.100 0.202 0.000 0.649 418 G HN 0.560 nan 8.290 nan 0.000 0.489 419 T N 2.604 117.278 114.554 0.200 0.000 2.793 419 T HA 0.440 4.790 4.350 -0.000 0.000 0.289 419 T C 0.798 175.508 174.700 0.016 0.000 0.956 419 T CA 0.466 62.612 62.100 0.077 0.000 1.177 419 T CB 0.513 69.356 68.868 -0.041 0.000 0.897 419 T HN 0.339 nan 8.240 nan 0.000 0.533 420 I N 3.567 124.097 120.570 -0.066 0.000 2.396 420 I HA 0.328 4.498 4.170 -0.000 0.000 0.292 420 I C 0.051 176.039 176.117 -0.215 0.000 0.999 420 I CA -0.834 60.368 61.300 -0.164 0.000 1.310 420 I CB 1.238 39.050 38.000 -0.313 0.000 1.404 420 I HN 0.234 nan 8.210 nan 0.000 0.496 421 V N 5.562 125.361 119.914 -0.193 0.000 2.459 421 V HA 0.272 4.392 4.120 -0.000 0.000 0.295 421 V C -0.055 175.964 176.094 -0.125 0.000 1.029 421 V CA -0.644 61.557 62.300 -0.165 0.000 0.874 421 V CB 1.643 33.349 31.823 -0.196 0.000 0.985 421 V HN 0.721 nan 8.190 nan 0.000 0.438 422 E N 3.518 123.701 120.200 -0.029 0.000 2.113 422 E HA 0.484 4.834 4.350 -0.000 0.000 0.273 422 E C -1.212 175.606 176.600 0.364 0.000 0.924 422 E CA -0.507 55.951 56.400 0.098 0.000 0.764 422 E CB 1.730 31.452 29.700 0.037 0.000 1.104 422 E HN 0.515 nan 8.360 nan 0.000 0.406 423 V N 7.191 127.255 119.914 0.249 0.000 2.432 423 V HA 0.103 4.223 4.120 -0.000 0.000 0.271 423 V C 0.576 176.893 176.094 0.373 0.000 1.046 423 V CA -0.100 62.347 62.300 0.246 0.000 0.945 423 V CB 0.427 32.302 31.823 0.087 0.000 0.992 423 V HN 0.851 nan 8.190 nan 0.000 0.471 424 W N 3.223 124.653 121.300 0.216 0.000 2.661 424 W HA 0.353 5.013 4.660 -0.000 0.000 0.288 424 W C 0.128 176.602 176.519 -0.075 0.000 1.014 424 W CA -0.612 56.834 57.345 0.169 0.000 1.396 424 W CB 0.181 29.831 29.460 0.317 0.000 0.963 424 W HN 0.272 nan 8.180 nan 0.000 0.584 425 K N 2.858 122.772 120.400 -0.810 0.000 2.368 425 K HA 0.018 4.338 4.320 -0.000 0.000 0.282 425 K C 0.608 177.000 176.600 -0.347 0.000 1.035 425 K CA 0.183 55.972 56.287 -0.830 0.000 0.973 425 K CB 1.462 33.509 32.500 -0.754 0.000 0.957 425 K HN -0.109 nan 8.250 nan 0.000 0.474 426 D N 0.699 120.927 120.400 -0.287 0.000 2.123 426 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 426 D C 0.296 176.595 176.300 -0.002 0.000 0.976 426 D CA 0.880 54.828 54.000 -0.088 0.000 0.831 426 D CB -0.030 40.708 40.800 -0.104 0.000 0.974 426 D HN 0.539 nan 8.370 nan 0.000 0.469 427 S N 0.712 116.358 115.700 -0.089 0.000 2.780 427 S HA 0.216 4.686 4.470 -0.000 0.000 0.339 427 S C 0.656 175.228 174.600 -0.048 0.000 1.183 427 S CA 0.051 58.209 58.200 -0.069 0.000 1.358 427 S CB -0.309 62.836 63.200 -0.092 0.000 1.167 427 S HN 0.410 nan 8.310 nan 0.000 0.556 428 A N 2.596 125.384 122.820 -0.055 0.000 2.362 428 A HA -0.207 4.113 4.320 -0.000 0.000 0.290 428 A C 0.504 178.038 177.584 -0.083 0.000 1.441 428 A CA 0.959 52.935 52.037 -0.102 0.000 0.743 428 A CB -2.727 16.230 19.000 -0.072 0.000 1.125 428 A HN 1.830 nan 8.150 nan 0.000 0.378 429 Y N -0.355 119.893 120.300 -0.085 0.000 2.373 429 Y HA 0.098 4.648 4.550 -0.000 0.000 0.293 429 Y C -0.219 175.635 175.900 -0.077 0.000 1.129 429 Y CA 0.557 58.602 58.100 -0.092 0.000 1.226 429 Y CB -1.318 37.076 38.460 -0.110 0.000 1.000 429 Y HN 0.430 nan 8.280 nan 0.000 0.549 430 P HA -0.186 nan 4.420 nan 0.000 0.218 430 P C 0.828 178.100 177.300 -0.047 0.000 1.148 430 P CA 1.902 64.875 63.100 -0.211 0.000 0.822 430 P CB 0.057 31.608 31.700 -0.248 0.000 0.784 431 E N -0.218 119.954 120.200 -0.047 0.000 2.106 431 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 431 E C 2.099 178.715 176.600 0.028 0.000 0.984 431 E CA 0.708 57.116 56.400 0.014 0.000 0.806 431 E CB -0.185 29.521 29.700 0.009 0.000 0.750 431 E HN 0.286 nan 8.360 nan 0.000 0.458 432 E N 0.700 120.906 120.200 0.009 0.000 2.110 432 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 432 E C 2.227 178.774 176.600 -0.088 0.000 0.988 432 E CA 0.674 57.076 56.400 0.004 0.000 0.804 432 E CB -0.092 29.618 29.700 0.017 0.000 0.745 432 E HN 0.325 nan 8.360 nan 0.000 0.458 433 L N 0.605 121.727 121.223 -0.167 0.000 2.191 433 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 433 L C 2.444 179.114 176.870 -0.333 0.000 1.103 433 L CA 0.692 55.259 54.840 -0.456 0.000 0.769 433 L CB -0.258 41.190 42.059 -1.019 0.000 0.908 433 L HN 0.001 nan 8.230 nan 0.000 0.438 434 S N -0.410 115.279 115.700 -0.018 0.000 2.348 434 S HA -0.073 4.397 4.470 -0.000 0.000 0.219 434 S C 2.050 176.734 174.600 0.139 0.000 1.033 434 S CA 0.776 59.093 58.200 0.196 0.000 0.974 434 S CB -0.110 63.213 63.200 0.206 0.000 0.868 434 S HN 0.337 nan 8.310 nan 0.000 0.459 435 R N 0.667 121.242 120.500 0.125 0.000 2.080 435 R HA -0.087 4.253 4.340 -0.000 0.000 0.236 435 R C 2.266 178.685 176.300 0.198 0.000 1.137 435 R CA 1.503 57.739 56.100 0.227 0.000 0.943 435 R CB -0.888 29.630 30.300 0.363 0.000 0.846 435 R HN 0.233 nan 8.270 nan 0.000 0.431 436 V N 0.962 120.785 119.914 -0.151 0.000 2.287 436 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 436 V C 2.614 178.714 176.094 0.010 0.000 1.053 436 V CA 2.414 64.490 62.300 -0.373 0.000 1.027 436 V CB -0.920 30.594 31.823 -0.515 0.000 0.646 436 V HN 0.610 nan 8.190 nan 0.000 0.447 437 T N -1.205 113.376 114.554 0.044 0.000 2.867 437 T HA -0.062 4.288 4.350 -0.000 0.000 0.268 437 T C 1.888 176.654 174.700 0.110 0.000 1.057 437 T CA 1.291 63.459 62.100 0.114 0.000 1.136 437 T CB -0.408 68.590 68.868 0.218 0.000 0.874 437 T HN 0.464 nan 8.240 nan 0.000 0.466 438 A N 1.584 124.484 122.820 0.133 0.000 1.969 438 A HA 0.053 4.373 4.320 -0.000 0.000 0.218 438 A C 2.567 180.209 177.584 0.096 0.000 1.169 438 A CA 1.601 53.709 52.037 0.119 0.000 0.635 438 A CB -0.819 18.265 19.000 0.140 0.000 0.810 438 A HN 0.528 nan 8.150 nan 0.000 0.445 439 S N -1.593 114.197 115.700 0.149 0.000 2.527 439 S HA 0.334 4.804 4.470 -0.000 0.000 0.222 439 S C 1.267 175.714 174.600 -0.255 0.000 0.985 439 S CA 0.796 59.054 58.200 0.096 0.000 0.921 439 S CB 0.015 63.501 63.200 0.476 0.000 0.772 439 S HN 1.667 nan 8.310 nan 0.000 0.529 440 G N 1.105 109.787 108.800 -0.197 0.000 2.203 440 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.231 440 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.231 440 G C -0.337 174.306 174.900 -0.428 0.000 1.058 440 G CA -0.545 44.383 45.100 -0.288 0.000 0.781 440 G HN 0.346 nan 8.290 nan 0.000 0.496 441 F N -0.038 119.940 119.950 0.046 0.000 2.495 441 F HA 0.582 5.109 4.527 -0.000 0.000 0.327 441 F C -1.940 173.841 175.800 -0.032 0.000 1.103 441 F CA -2.904 55.102 58.000 0.010 0.000 0.949 441 F CB 2.007 41.007 39.000 -0.000 0.000 1.142 441 F HN -0.161 nan 8.300 nan 0.000 0.457 442 P HA 0.113 nan 4.420 nan 0.000 0.268 442 P C -0.897 176.367 177.300 -0.059 0.000 1.204 442 P CA 0.027 63.145 63.100 0.031 0.000 0.768 442 P CB 1.090 32.788 31.700 -0.003 0.000 0.842 443 V N 5.046 124.884 119.914 -0.128 0.000 2.769 443 V HA 0.585 4.705 4.120 -0.000 0.000 0.312 443 V C -0.875 174.957 176.094 -0.436 0.000 1.061 443 V CA -0.967 61.201 62.300 -0.220 0.000 0.931 443 V CB 1.485 33.222 31.823 -0.142 0.000 1.010 443 V HN 0.312 nan 8.190 nan 0.000 0.433 444 I N 5.954 126.299 120.570 -0.376 0.000 2.498 444 I HA 0.425 4.595 4.170 -0.000 0.000 0.290 444 I C -1.182 174.832 176.117 -0.171 0.000 1.032 444 I CA -0.762 60.285 61.300 -0.421 0.000 1.073 444 I CB 1.924 39.682 38.000 -0.404 0.000 1.251 444 I HN 0.466 nan 8.210 nan 0.000 0.426 445 L N 5.877 127.040 121.223 -0.100 0.000 2.309 445 L HA 0.500 4.840 4.340 -0.000 0.000 0.282 445 L C 0.622 177.680 176.870 0.313 0.000 1.036 445 L CA 0.652 55.578 54.840 0.142 0.000 0.806 445 L CB 1.564 43.792 42.059 0.281 0.000 1.220 445 L HN 0.735 nan 8.230 nan 0.000 0.429 446 S N 2.281 118.155 115.700 0.289 0.000 2.617 446 S HA 0.223 4.693 4.470 -0.000 0.000 0.278 446 S C 1.501 176.323 174.600 0.370 0.000 1.082 446 S CA 0.225 58.706 58.200 0.467 0.000 1.228 446 S CB -0.282 63.249 63.200 0.553 0.000 1.130 446 S HN 0.725 nan 8.310 nan 0.000 0.621 447 A N 3.655 126.509 122.820 0.056 0.000 1.896 447 A HA -0.037 4.283 4.320 -0.000 0.000 0.220 447 A C -0.084 177.348 177.584 -0.253 0.000 1.206 447 A CA 2.312 54.238 52.037 -0.186 0.000 0.647 447 A CB -1.919 16.770 19.000 -0.519 0.000 0.828 447 A HN 0.623 nan 8.150 nan 0.000 0.455 448 P HA 0.043 nan 4.420 nan 0.000 0.257 448 P C -0.411 176.833 177.300 -0.094 0.000 1.281 448 P CA 0.239 63.100 63.100 -0.397 0.000 0.826 448 P CB 0.024 31.314 31.700 -0.683 0.000 1.237 449 W N -0.492 120.992 121.300 0.307 0.000 1.903 449 W HA 0.279 4.939 4.660 -0.000 0.000 0.349 449 W C -0.564 176.078 176.519 0.206 0.000 0.814 449 W CA -0.703 56.779 57.345 0.228 0.000 2.728 449 W CB -0.489 29.040 29.460 0.114 0.000 1.621 449 W HN -0.094 nan 8.180 nan 0.000 0.644 450 Y N 1.573 122.041 120.300 0.280 0.000 2.632 450 Y HA 0.116 4.666 4.550 -0.000 0.000 0.336 450 Y C 1.584 177.585 175.900 0.168 0.000 1.237 450 Y CA -0.031 58.211 58.100 0.236 0.000 1.595 450 Y CB -0.256 38.372 38.460 0.280 0.000 1.508 450 Y HN -0.046 nan 8.280 nan 0.000 0.480 451 L N 0.921 122.166 121.223 0.038 0.000 2.353 451 L HA -0.209 4.131 4.340 -0.000 0.000 0.220 451 L C 1.909 178.819 176.870 0.068 0.000 1.133 451 L CA 1.122 55.931 54.840 -0.051 0.000 0.798 451 L CB -0.224 41.687 42.059 -0.246 0.000 0.922 451 L HN 0.507 nan 8.230 nan 0.000 0.445 452 D N 0.874 121.338 120.400 0.106 0.000 2.264 452 D HA -0.168 4.472 4.640 -0.000 0.000 0.208 452 D C 1.109 177.529 176.300 0.199 0.000 0.966 452 D CA 0.679 54.772 54.000 0.156 0.000 0.864 452 D CB -0.323 40.613 40.800 0.227 0.000 0.933 452 D HN 0.311 nan 8.370 nan 0.000 0.499 453 L N 2.336 123.710 121.223 0.253 0.000 2.395 453 L HA 0.249 4.589 4.340 -0.000 0.000 0.268 453 L C 0.632 177.623 176.870 0.201 0.000 1.223 453 L CA -0.618 54.355 54.840 0.221 0.000 1.093 453 L CB -0.383 41.828 42.059 0.254 0.000 1.349 453 L HN 0.065 nan 8.230 nan 0.000 0.427 454 I N 0.030 120.687 120.570 0.145 0.000 2.720 454 I HA 0.567 4.737 4.170 -0.000 0.000 0.287 454 I C 0.409 176.599 176.117 0.120 0.000 1.090 454 I CA -0.002 61.382 61.300 0.140 0.000 1.384 454 I CB 1.391 39.453 38.000 0.104 0.000 1.420 454 I HN 0.488 nan 8.210 nan 0.000 0.575 455 S N 3.322 119.102 115.700 0.132 0.000 2.550 455 S HA 0.371 4.841 4.470 -0.000 0.000 0.270 455 S C -0.928 173.766 174.600 0.155 0.000 1.145 455 S CA -0.845 57.431 58.200 0.127 0.000 0.852 455 S CB 1.033 64.292 63.200 0.099 0.000 1.119 455 S HN 0.749 nan 8.310 nan 0.000 0.465 456 Y N 2.390 122.721 120.300 0.052 0.000 2.511 456 Y HA 0.466 5.016 4.550 -0.000 0.000 0.332 456 Y C 0.858 176.800 175.900 0.070 0.000 1.177 456 Y CA 2.050 60.186 58.100 0.060 0.000 1.422 456 Y CB -0.167 38.320 38.460 0.044 0.000 1.271 456 Y HN 1.643 nan 8.280 nan 0.000 0.550 457 G N 4.543 112.969 108.800 -0.623 0.000 2.526 457 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.250 457 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.250 457 G C -1.153 173.684 174.900 -0.105 0.000 1.289 457 G CA -0.595 44.235 45.100 -0.449 0.000 0.947 457 G HN 0.741 nan 8.290 nan 0.000 0.517 458 Q N 1.105 120.886 119.800 -0.032 0.000 3.027 458 Q HA 0.226 4.566 4.340 -0.000 0.000 0.260 458 Q C 0.697 176.656 176.000 -0.068 0.000 1.379 458 Q CA 0.275 56.141 55.803 0.106 0.000 1.038 458 Q CB 0.210 29.015 28.738 0.112 0.000 1.578 458 Q HN 0.628 nan 8.270 nan 0.000 0.571 459 D N 0.618 121.043 120.400 0.041 0.000 2.378 459 D HA -0.183 4.457 4.640 -0.000 0.000 0.227 459 D C 1.267 177.567 176.300 0.001 0.000 1.012 459 D CA 0.085 54.055 54.000 -0.051 0.000 0.905 459 D CB -0.258 40.546 40.800 0.006 0.000 0.895 459 D HN 0.703 nan 8.370 nan 0.000 0.532 460 W N 1.751 123.162 121.300 0.184 0.000 2.425 460 W HA -0.019 4.641 4.660 -0.000 0.000 0.277 460 W C 1.272 177.971 176.519 0.300 0.000 1.231 460 W CA 0.038 57.584 57.345 0.336 0.000 1.248 460 W CB -0.684 28.919 29.460 0.238 0.000 1.117 460 W HN -0.057 nan 8.180 nan 0.000 0.568 461 R N 1.220 121.226 120.500 -0.823 0.000 2.115 461 R HA -0.104 4.236 4.340 -0.000 0.000 0.230 461 R C 2.295 178.478 176.300 -0.195 0.000 1.111 461 R CA 1.581 57.207 56.100 -0.790 0.000 0.976 461 R CB -0.495 29.254 30.300 -0.919 0.000 0.870 461 R HN 0.184 nan 8.270 nan 0.000 0.445 462 K N 0.442 120.708 120.400 -0.224 0.000 2.057 462 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 462 K C 1.578 178.173 176.600 -0.008 0.000 1.049 462 K CA 1.441 57.615 56.287 -0.187 0.000 0.931 462 K CB -0.039 32.242 32.500 -0.365 0.000 0.714 462 K HN 0.108 nan 8.250 nan 0.000 0.440 463 Y N -1.145 119.348 120.300 0.321 0.000 2.314 463 Y HA -0.144 4.406 4.550 -0.000 0.000 0.293 463 Y C 2.028 178.297 175.900 0.614 0.000 1.129 463 Y CA 0.943 59.380 58.100 0.562 0.000 1.201 463 Y CB -0.549 38.260 38.460 0.581 0.000 0.999 463 Y HN 0.184 nan 8.280 nan 0.000 0.541 464 Y N 0.572 121.168 120.300 0.493 0.000 2.519 464 Y HA 0.007 4.557 4.550 -0.000 0.000 0.287 464 Y C 2.053 178.136 175.900 0.304 0.000 1.128 464 Y CA 0.804 59.164 58.100 0.433 0.000 1.282 464 Y CB 0.068 38.829 38.460 0.501 0.000 1.027 464 Y HN -0.130 nan 8.280 nan 0.000 0.551 465 K N 0.037 120.588 120.400 0.251 0.000 2.228 465 K HA 0.080 4.400 4.320 -0.000 0.000 0.202 465 K C 0.101 176.764 176.600 0.105 0.000 1.051 465 K CA 0.359 56.717 56.287 0.117 0.000 0.960 465 K CB -0.184 32.361 32.500 0.075 0.000 0.743 465 K HN 0.033 nan 8.250 nan 0.000 0.458 466 V N 2.466 122.499 119.914 0.199 0.000 2.599 466 V HA -0.025 4.095 4.120 -0.000 0.000 0.300 466 V C 0.103 176.318 176.094 0.202 0.000 1.034 466 V CA 0.040 62.456 62.300 0.193 0.000 1.115 466 V CB 0.879 32.821 31.823 0.198 0.000 0.934 466 V HN 0.212 nan 8.190 nan 0.000 0.485 467 E N 8.641 128.923 120.200 0.136 0.000 2.073 467 E HA 0.360 4.710 4.350 -0.000 0.000 0.269 467 E C -1.603 175.072 176.600 0.125 0.000 0.917 467 E CA -2.248 54.227 56.400 0.125 0.000 0.757 467 E CB 1.569 31.308 29.700 0.065 0.000 1.111 467 E HN 0.347 nan 8.360 nan 0.000 0.410 468 P HA -0.117 nan 4.420 nan 0.000 0.220 468 P C 0.653 177.870 177.300 -0.138 0.000 1.148 468 P CA 0.868 63.982 63.100 0.023 0.000 0.803 468 P CB 0.336 32.053 31.700 0.027 0.000 0.782 469 L N -0.079 121.114 121.223 -0.050 0.000 2.688 469 L HA 0.154 4.494 4.340 -0.000 0.000 0.234 469 L C 0.099 176.914 176.870 -0.092 0.000 1.192 469 L CA 0.048 54.855 54.840 -0.056 0.000 0.984 469 L CB -0.458 41.565 42.059 -0.061 0.000 1.232 469 L HN -0.245 nan 8.230 nan 0.000 0.465 470 D N 1.510 121.938 120.400 0.046 0.000 2.631 470 D HA 0.281 4.921 4.640 -0.000 0.000 0.227 470 D C -0.431 175.918 176.300 0.082 0.000 1.146 470 D CA 0.185 54.181 54.000 -0.006 0.000 1.009 470 D CB -0.013 40.783 40.800 -0.006 0.000 1.057 470 D HN 0.081 nan 8.370 nan 0.000 0.509 471 F N -2.080 117.818 119.950 -0.087 0.000 2.645 471 F HA 0.686 5.213 4.527 -0.000 0.000 0.310 471 F C 0.301 176.076 175.800 -0.043 0.000 1.102 471 F CA -1.715 56.241 58.000 -0.072 0.000 0.952 471 F CB 0.586 39.552 39.000 -0.057 0.000 1.326 471 F HN -0.044 nan 8.300 nan 0.000 0.456 472 G N 0.096 108.960 108.800 0.107 0.000 2.441 472 G HA2 0.529 4.489 3.960 -0.000 0.000 0.243 472 G HA3 0.529 4.489 3.960 -0.000 0.000 0.243 472 G C -0.108 174.822 174.900 0.051 0.000 1.281 472 G CA 0.061 45.175 45.100 0.024 0.000 0.854 472 G HN 1.815 nan 8.290 nan 0.000 0.560 473 G N 0.180 108.957 108.800 -0.038 0.000 2.321 473 G HA2 0.497 4.457 3.960 -0.000 0.000 0.339 473 G HA3 0.497 4.457 3.960 -0.000 0.000 0.339 473 G C -0.147 174.714 174.900 -0.064 0.000 1.518 473 G CA -0.015 45.085 45.100 -0.001 0.000 0.994 473 G HN 1.398 nan 8.290 nan 0.000 0.668 474 T N -1.415 113.129 114.554 -0.017 0.000 2.726 474 T HA 0.373 4.723 4.350 -0.000 0.000 0.294 474 T C 1.431 176.110 174.700 -0.035 0.000 1.013 474 T CA 0.622 62.706 62.100 -0.027 0.000 0.996 474 T CB 1.180 70.047 68.868 -0.002 0.000 1.016 474 T HN 0.646 nan 8.240 nan 0.000 0.529 475 Q N -0.275 119.505 119.800 -0.033 0.000 2.291 475 Q HA -0.075 4.265 4.340 -0.000 0.000 0.205 475 Q C 2.315 178.321 176.000 0.010 0.000 0.970 475 Q CA 1.129 56.916 55.803 -0.027 0.000 0.876 475 Q CB -0.156 28.566 28.738 -0.027 0.000 0.935 475 Q HN 0.775 nan 8.270 nan 0.000 0.455 476 K N 1.036 121.447 120.400 0.020 0.000 2.057 476 K HA -0.185 4.135 4.320 -0.000 0.000 0.206 476 K C 1.863 178.505 176.600 0.071 0.000 1.050 476 K CA 1.247 57.557 56.287 0.038 0.000 0.935 476 K CB 0.144 32.661 32.500 0.029 0.000 0.715 476 K HN 0.209 nan 8.250 nan 0.000 0.439 477 Q N 0.416 120.265 119.800 0.083 0.000 2.119 477 Q HA -0.115 4.225 4.340 -0.000 0.000 0.201 477 Q C 1.783 177.922 176.000 0.231 0.000 0.972 477 Q CA 1.326 57.219 55.803 0.150 0.000 0.847 477 Q CB 0.031 28.872 28.738 0.172 0.000 0.903 477 Q HN 0.272 nan 8.270 nan 0.000 0.433 478 K N 0.652 121.148 120.400 0.159 0.000 2.360 478 K HA -0.147 4.173 4.320 -0.000 0.000 0.201 478 K C 1.665 178.424 176.600 0.264 0.000 1.046 478 K CA 0.820 57.229 56.287 0.204 0.000 0.945 478 K CB 0.081 32.591 32.500 0.017 0.000 0.750 478 K HN 0.289 nan 8.250 nan 0.000 0.464 479 Q N 0.071 119.986 119.800 0.191 0.000 2.425 479 Q HA 0.079 4.419 4.340 -0.000 0.000 0.204 479 Q C 1.361 177.476 176.000 0.193 0.000 0.933 479 Q CA 0.257 56.165 55.803 0.174 0.000 0.939 479 Q CB 0.338 29.137 28.738 0.103 0.000 1.044 479 Q HN 0.284 nan 8.270 nan 0.000 0.513 480 L N -0.297 121.057 121.223 0.219 0.000 2.591 480 L HA 0.136 4.476 4.340 -0.000 0.000 0.228 480 L C 0.158 177.151 176.870 0.206 0.000 1.133 480 L CA -0.209 54.738 54.840 0.177 0.000 0.880 480 L CB 0.247 42.394 42.059 0.146 0.000 1.033 480 L HN 0.137 nan 8.230 nan 0.000 0.450 481 F N 1.604 121.656 119.950 0.169 0.000 2.390 481 F HA 0.228 4.755 4.527 -0.000 0.000 0.361 481 F C 1.198 177.120 175.800 0.203 0.000 1.124 481 F CA -0.676 57.418 58.000 0.156 0.000 1.149 481 F CB 0.666 39.822 39.000 0.259 0.000 1.160 481 F HN -0.050 nan 8.300 nan 0.000 0.501 482 I N 2.595 123.070 120.570 -0.157 0.000 3.783 482 I HA 0.606 4.776 4.170 -0.000 0.000 0.310 482 I C 0.832 176.957 176.117 0.012 0.000 1.274 482 I CA 0.478 61.797 61.300 0.030 0.000 1.294 482 I CB -0.363 37.612 38.000 -0.043 0.000 1.051 482 I HN 0.650 nan 8.210 nan 0.000 0.435 483 G N 0.404 108.894 108.800 -0.517 0.000 2.302 483 G HA2 0.394 4.354 3.960 -0.000 0.000 0.264 483 G HA3 0.394 4.354 3.960 -0.000 0.000 0.264 483 G C -0.830 173.835 174.900 -0.390 0.000 1.335 483 G CA -0.351 44.494 45.100 -0.425 0.000 0.982 483 G HN 0.601 nan 8.290 nan 0.000 0.473 484 G N -1.388 107.406 108.800 -0.011 0.000 2.749 484 G HA2 0.738 4.698 3.960 -0.000 0.000 0.300 484 G HA3 0.738 4.698 3.960 -0.000 0.000 0.300 484 G C -1.489 173.548 174.900 0.228 0.000 1.352 484 G CA -0.076 45.133 45.100 0.181 0.000 0.789 484 G HN 0.762 nan 8.290 nan 0.000 0.509 485 E N -1.301 119.071 120.200 0.286 0.000 2.416 485 E HA 0.609 4.959 4.350 -0.000 0.000 0.273 485 E C -1.012 175.684 176.600 0.161 0.000 0.935 485 E CA -1.139 55.379 56.400 0.197 0.000 0.784 485 E CB 2.655 32.470 29.700 0.192 0.000 1.301 485 E HN 0.695 nan 8.360 nan 0.000 0.454 486 A N 1.310 124.128 122.820 -0.004 0.000 2.293 486 A HA 0.472 4.792 4.320 -0.000 0.000 0.312 486 A C -0.529 176.906 177.584 -0.247 0.000 1.309 486 A CA -0.573 51.407 52.037 -0.094 0.000 0.839 486 A CB 0.060 18.924 19.000 -0.226 0.000 1.155 486 A HN 0.615 nan 8.150 nan 0.000 0.501 487 C N 1.895 121.032 119.300 -0.273 0.000 2.463 487 C HA 0.613 5.073 4.460 -0.000 0.000 0.380 487 C C 0.223 174.867 174.990 -0.577 0.000 1.264 487 C CA -0.255 58.401 59.018 -0.603 0.000 2.161 487 C CB 0.471 27.684 27.740 -0.879 0.000 2.515 487 C HN 0.791 nan 8.230 nan 0.000 0.565 488 L N 3.414 124.224 121.223 -0.688 0.000 2.480 488 L HA 0.431 4.771 4.340 -0.000 0.000 0.253 488 L C -0.991 175.632 176.870 -0.412 0.000 1.324 488 L CA -0.124 54.460 54.840 -0.427 0.000 0.916 488 L CB -0.084 41.769 42.059 -0.344 0.000 1.160 488 L HN 0.818 nan 8.230 nan 0.000 0.503 489 W N 2.156 123.311 121.300 -0.241 0.000 2.170 489 W HA 0.417 5.077 4.660 -0.000 0.000 0.342 489 W C 1.545 178.015 176.519 -0.083 0.000 1.294 489 W CA 0.241 57.457 57.345 -0.214 0.000 1.246 489 W CB 0.690 29.998 29.460 -0.254 0.000 1.156 489 W HN 0.623 nan 8.180 nan 0.000 0.572 490 G N 0.938 109.845 108.800 0.179 0.000 3.088 490 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.212 490 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.212 490 G C 1.004 176.031 174.900 0.212 0.000 1.173 490 G CA -0.103 45.110 45.100 0.187 0.000 0.779 490 G HN 0.534 nan 8.290 nan 0.000 0.540 491 E N -0.104 120.154 120.200 0.097 0.000 2.171 491 E HA -0.154 4.196 4.350 -0.000 0.000 0.197 491 E C 0.361 176.713 176.600 -0.415 0.000 0.997 491 E CA 1.239 57.527 56.400 -0.187 0.000 0.810 491 E CB -0.167 29.384 29.700 -0.249 0.000 0.738 491 E HN 0.695 nan 8.360 nan 0.000 0.467 492 Y N -1.606 118.808 120.300 0.189 0.000 2.721 492 Y HA 0.351 4.901 4.550 -0.000 0.000 0.251 492 Y C -0.815 175.109 175.900 0.041 0.000 1.136 492 Y CA -0.544 57.634 58.100 0.131 0.000 1.142 492 Y CB 1.032 39.545 38.460 0.088 0.000 1.212 492 Y HN -0.258 nan 8.280 nan 0.000 0.565 493 V N 1.724 121.713 119.914 0.124 0.000 2.623 493 V HA 0.481 4.601 4.120 -0.000 0.000 0.304 493 V C -0.842 175.192 176.094 -0.100 0.000 1.054 493 V CA -0.671 61.636 62.300 0.011 0.000 0.882 493 V CB 2.011 33.859 31.823 0.041 0.000 1.002 493 V HN 0.339 nan 8.190 nan 0.000 0.424 494 D N 4.022 124.317 120.400 -0.176 0.000 2.867 494 D HA 0.495 5.135 4.640 -0.000 0.000 0.308 494 D C 1.021 177.277 176.300 -0.073 0.000 1.202 494 D CA 0.031 53.946 54.000 -0.143 0.000 1.035 494 D CB 1.480 42.103 40.800 -0.295 0.000 1.427 494 D HN 0.474 nan 8.370 nan 0.000 0.570 495 A N -0.662 122.133 122.820 -0.042 0.000 2.186 495 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 495 A C 1.817 179.386 177.584 -0.025 0.000 1.159 495 A CA 2.652 54.673 52.037 -0.028 0.000 0.680 495 A CB -1.307 17.687 19.000 -0.010 0.000 0.787 495 A HN 0.701 nan 8.150 nan 0.000 0.467 496 T N -2.376 112.156 114.554 -0.036 0.000 3.067 496 T HA -0.029 4.321 4.350 -0.000 0.000 0.257 496 T C 0.988 175.677 174.700 -0.017 0.000 1.105 496 T CA 1.049 63.134 62.100 -0.024 0.000 1.104 496 T CB -0.198 68.654 68.868 -0.028 0.000 0.925 496 T HN 0.630 nan 8.240 nan 0.000 0.498 497 N N -0.210 118.476 118.700 -0.024 0.000 2.036 497 N HA 0.180 4.920 4.740 -0.000 0.000 0.228 497 N C 1.150 176.651 175.510 -0.014 0.000 1.368 497 N CA -0.237 52.807 53.050 -0.010 0.000 0.846 497 N CB -0.538 37.948 38.487 -0.002 0.000 1.145 497 N HN 0.367 nan 8.380 nan 0.000 0.502 498 L N 1.128 122.335 121.223 -0.026 0.000 1.976 498 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 498 L C 1.752 178.604 176.870 -0.030 0.000 1.071 498 L CA 1.998 56.812 54.840 -0.044 0.000 0.746 498 L CB -0.684 41.342 42.059 -0.055 0.000 0.890 498 L HN 0.081 nan 8.230 nan 0.000 0.432 499 T N 0.303 114.875 114.554 0.030 0.000 2.652 499 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 499 T C -0.591 174.183 174.700 0.123 0.000 1.039 499 T CA 1.910 64.090 62.100 0.134 0.000 1.153 499 T CB -1.285 67.663 68.868 0.133 0.000 0.863 499 T HN 0.336 nan 8.240 nan 0.000 0.428 500 P HA -0.051 nan 4.420 nan 0.000 0.215 500 P C 1.521 178.838 177.300 0.029 0.000 1.157 500 P CA 1.140 64.271 63.100 0.052 0.000 0.868 500 P CB -0.041 31.680 31.700 0.033 0.000 0.788 501 R N -0.656 119.842 120.500 -0.002 0.000 2.115 501 R HA -0.037 4.303 4.340 -0.000 0.000 0.230 501 R C 2.230 178.470 176.300 -0.101 0.000 1.111 501 R CA 0.873 56.960 56.100 -0.022 0.000 0.976 501 R CB -0.800 29.489 30.300 -0.017 0.000 0.870 501 R HN 0.158 nan 8.270 nan 0.000 0.445 502 L N -0.324 120.775 121.223 -0.206 0.000 1.993 502 L HA -0.012 4.328 4.340 -0.000 0.000 0.206 502 L C 0.021 176.550 176.870 -0.568 0.000 1.074 502 L CA 0.948 55.478 54.840 -0.517 0.000 0.746 502 L CB -0.039 41.553 42.059 -0.779 0.000 0.896 502 L HN 0.139 nan 8.230 nan 0.000 0.435 503 W N -0.237 121.028 121.300 -0.060 0.000 2.449 503 W HA 0.328 4.988 4.660 -0.000 0.000 0.331 503 W C -1.757 174.726 176.519 -0.061 0.000 1.119 503 W CA -1.712 55.599 57.345 -0.056 0.000 1.240 503 W CB -0.104 29.318 29.460 -0.064 0.000 1.251 503 W HN -0.038 nan 8.180 nan 0.000 0.576 504 P HA 0.145 nan 4.420 nan 0.000 0.254 504 P C 0.741 178.095 177.300 0.090 0.000 1.620 504 P CA 0.036 63.221 63.100 0.141 0.000 1.050 504 P CB 0.278 31.923 31.700 -0.092 0.000 1.539 505 R N 0.295 120.841 120.500 0.077 0.000 2.115 505 R HA 0.008 4.348 4.340 -0.000 0.000 0.230 505 R C 2.086 178.440 176.300 0.089 0.000 1.111 505 R CA 1.522 57.711 56.100 0.148 0.000 0.976 505 R CB -0.735 29.638 30.300 0.122 0.000 0.870 505 R HN 0.178 nan 8.270 nan 0.000 0.445 506 A N 0.683 123.443 122.820 -0.099 0.000 1.968 506 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 506 A C 2.123 179.908 177.584 0.336 0.000 1.169 506 A CA 1.213 53.176 52.037 -0.124 0.000 0.638 506 A CB -0.229 18.318 19.000 -0.756 0.000 0.812 506 A HN 0.181 nan 8.150 nan 0.000 0.446 507 S N 0.167 116.151 115.700 0.473 0.000 2.419 507 S HA -0.111 4.359 4.470 -0.000 0.000 0.235 507 S C 2.149 177.206 174.600 0.761 0.000 1.019 507 S CA 1.151 59.735 58.200 0.640 0.000 0.982 507 S CB -0.353 63.004 63.200 0.261 0.000 0.789 507 S HN 0.794 nan 8.310 nan 0.000 0.490 508 A N 0.912 124.099 122.820 0.611 0.000 1.929 508 A HA 0.022 4.342 4.320 -0.000 0.000 0.216 508 A C 2.245 180.180 177.584 0.584 0.000 1.176 508 A CA 1.193 53.718 52.037 0.814 0.000 0.628 508 A CB -0.582 18.938 19.000 0.865 0.000 0.816 508 A HN 0.374 nan 8.150 nan 0.000 0.444 509 V N -0.152 119.930 119.914 0.281 0.000 2.667 509 V HA -0.078 4.042 4.120 -0.000 0.000 0.252 509 V C 2.688 178.741 176.094 -0.070 0.000 1.065 509 V CA 1.481 63.701 62.300 -0.132 0.000 1.083 509 V CB -1.252 30.284 31.823 -0.477 0.000 0.692 509 V HN 0.576 nan 8.190 nan 0.000 0.468 510 G N -0.056 108.821 108.800 0.127 0.000 2.402 510 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.216 510 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.216 510 G C 1.518 176.364 174.900 -0.090 0.000 1.162 510 G CA 0.915 45.880 45.100 -0.225 0.000 0.777 510 G HN 0.575 nan 8.290 nan 0.000 0.539 511 E N -0.081 120.147 120.200 0.046 0.000 2.152 511 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 511 E C 2.465 179.082 176.600 0.028 0.000 0.983 511 E CA 0.498 56.831 56.400 -0.111 0.000 0.818 511 E CB -0.024 29.402 29.700 -0.456 0.000 0.758 511 E HN 0.199 nan 8.360 nan 0.000 0.467 512 R N 0.309 120.853 120.500 0.073 0.000 2.237 512 R HA 0.018 4.358 4.340 -0.000 0.000 0.219 512 R C 1.645 178.044 176.300 0.164 0.000 1.080 512 R CA 0.985 57.124 56.100 0.064 0.000 0.995 512 R CB -0.152 30.200 30.300 0.087 0.000 0.875 512 R HN 0.303 nan 8.270 nan 0.000 0.462 513 L N -1.672 119.629 121.223 0.130 0.000 2.556 513 L HA 0.121 4.461 4.340 -0.000 0.000 0.226 513 L C 1.795 178.854 176.870 0.316 0.000 1.089 513 L CA -0.072 54.936 54.840 0.279 0.000 0.864 513 L CB -0.157 41.947 42.059 0.074 0.000 1.067 513 L HN 0.288 nan 8.230 nan 0.000 0.477 514 W N 0.563 121.861 121.300 -0.003 0.000 2.780 514 W HA 0.184 4.844 4.660 -0.000 0.000 0.272 514 W C 0.993 177.473 176.519 -0.065 0.000 1.116 514 W CA 0.196 57.514 57.345 -0.044 0.000 1.600 514 W CB 0.136 29.534 29.460 -0.102 0.000 1.086 514 W HN -0.125 nan 8.180 nan 0.000 0.584 515 S N 1.498 117.328 115.700 0.217 0.000 2.617 515 S HA 0.105 4.575 4.470 -0.000 0.000 0.255 515 S C 0.358 174.942 174.600 -0.028 0.000 1.318 515 S CA -0.317 57.937 58.200 0.089 0.000 0.978 515 S CB 0.826 64.052 63.200 0.043 0.000 0.961 515 S HN 0.045 nan 8.310 nan 0.000 0.582 516 S N 1.347 117.023 115.700 -0.040 0.000 2.600 516 S HA 0.136 4.606 4.470 -0.000 0.000 0.265 516 S C 1.417 175.999 174.600 -0.030 0.000 1.325 516 S CA -0.710 57.453 58.200 -0.062 0.000 1.002 516 S CB 0.517 63.684 63.200 -0.054 0.000 0.921 516 S HN 0.608 nan 8.310 nan 0.000 0.554 517 K N 1.180 121.561 120.400 -0.032 0.000 2.147 517 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 517 K C 1.315 177.911 176.600 -0.006 0.000 1.049 517 K CA 1.408 57.694 56.287 -0.003 0.000 0.936 517 K CB -0.397 32.100 32.500 -0.005 0.000 0.722 517 K HN 0.661 nan 8.250 nan 0.000 0.446 518 D N 0.319 120.712 120.400 -0.011 0.000 2.178 518 D HA -0.092 4.548 4.640 -0.000 0.000 0.202 518 D C -0.006 176.304 176.300 0.016 0.000 0.974 518 D CA 0.355 54.354 54.000 -0.000 0.000 0.841 518 D CB 0.210 41.007 40.800 -0.005 0.000 0.953 518 D HN -0.118 nan 8.370 nan 0.000 0.478 519 V N 2.108 122.032 119.914 0.016 0.000 2.403 519 V HA 0.173 4.293 4.120 -0.000 0.000 0.265 519 V C 0.699 176.834 176.094 0.068 0.000 1.034 519 V CA 0.517 62.846 62.300 0.049 0.000 1.036 519 V CB 0.075 31.922 31.823 0.040 0.000 1.032 519 V HN 0.344 nan 8.190 nan 0.000 0.478 520 R N 1.749 122.328 120.500 0.132 0.000 2.442 520 R HA 0.224 4.564 4.340 -0.000 0.000 0.312 520 R C -0.724 175.737 176.300 0.268 0.000 0.869 520 R CA -0.614 55.603 56.100 0.196 0.000 1.043 520 R CB -0.199 30.131 30.300 0.048 0.000 1.433 520 R HN 0.505 nan 8.270 nan 0.000 0.634 521 D N 1.518 122.072 120.400 0.256 0.000 2.325 521 D HA 0.155 4.795 4.640 -0.000 0.000 0.251 521 D C 1.269 177.722 176.300 0.255 0.000 1.196 521 D CA -0.387 53.736 54.000 0.205 0.000 0.866 521 D CB 1.082 41.971 40.800 0.148 0.000 1.101 521 D HN 0.055 nan 8.370 nan 0.000 0.476 522 M N 2.424 122.154 119.600 0.217 0.000 2.117 522 M HA -0.110 4.370 4.480 -0.000 0.000 0.262 522 M C 1.069 177.508 176.300 0.232 0.000 1.065 522 M CA 1.204 56.633 55.300 0.216 0.000 1.114 522 M CB -0.662 32.007 32.600 0.115 0.000 1.361 522 M HN 0.397 nan 8.290 nan 0.000 0.408 523 D N 0.380 120.882 120.400 0.169 0.000 2.178 523 D HA -0.146 4.494 4.640 -0.000 0.000 0.202 523 D C 1.700 178.127 176.300 0.212 0.000 0.974 523 D CA 1.214 55.318 54.000 0.173 0.000 0.841 523 D CB -0.278 40.587 40.800 0.108 0.000 0.953 523 D HN 0.370 nan 8.370 nan 0.000 0.478 524 D N -0.049 120.462 120.400 0.185 0.000 2.137 524 D HA 0.039 4.679 4.640 -0.000 0.000 0.202 524 D C 1.975 178.395 176.300 0.201 0.000 0.970 524 D CA 1.179 55.277 54.000 0.164 0.000 0.837 524 D CB -0.014 40.869 40.800 0.137 0.000 0.981 524 D HN 0.040 nan 8.370 nan 0.000 0.475 525 A N -0.246 122.726 122.820 0.255 0.000 1.883 525 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 525 A C 2.271 179.986 177.584 0.218 0.000 1.186 525 A CA 1.716 53.929 52.037 0.293 0.000 0.624 525 A CB -1.437 17.651 19.000 0.147 0.000 0.822 525 A HN 0.509 nan 8.150 nan 0.000 0.444 526 Y N 0.794 121.207 120.300 0.188 0.000 2.207 526 Y HA -0.230 4.320 4.550 -0.000 0.000 0.287 526 Y C 2.040 177.911 175.900 -0.047 0.000 1.156 526 Y CA 2.086 60.228 58.100 0.070 0.000 1.182 526 Y CB -0.266 38.329 38.460 0.224 0.000 0.979 526 Y HN 0.405 nan 8.280 nan 0.000 0.521 527 D N -0.135 120.241 120.400 -0.041 0.000 2.097 527 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 527 D C 2.109 178.298 176.300 -0.184 0.000 0.984 527 D CA 1.494 55.405 54.000 -0.149 0.000 0.826 527 D CB -0.100 40.715 40.800 0.024 0.000 0.973 527 D HN 0.391 nan 8.370 nan 0.000 0.460 528 R N -0.519 119.946 120.500 -0.058 0.000 2.115 528 R HA -0.022 4.318 4.340 -0.000 0.000 0.226 528 R C 2.136 178.338 176.300 -0.163 0.000 1.100 528 R CA 0.311 56.407 56.100 -0.006 0.000 0.980 528 R CB -0.166 30.261 30.300 0.211 0.000 0.875 528 R HN 0.189 nan 8.270 nan 0.000 0.445 529 L N 1.018 121.992 121.223 -0.416 0.000 2.072 529 L HA -0.112 4.228 4.340 -0.000 0.000 0.205 529 L C 2.278 178.784 176.870 -0.606 0.000 1.079 529 L CA 2.040 56.378 54.840 -0.837 0.000 0.752 529 L CB -0.742 40.597 42.059 -1.200 0.000 0.906 529 L HN 0.232 nan 8.230 nan 0.000 0.436 530 T N -2.854 111.353 114.554 -0.578 0.000 2.720 530 T HA -0.248 4.102 4.350 -0.000 0.000 0.268 530 T C 2.056 176.542 174.700 -0.357 0.000 1.037 530 T CA 1.565 63.373 62.100 -0.487 0.000 1.144 530 T CB -0.476 68.050 68.868 -0.571 0.000 0.864 530 T HN 0.314 nan 8.240 nan 0.000 0.444 531 R N -0.207 120.108 120.500 -0.308 0.000 2.153 531 R HA 0.086 4.426 4.340 -0.000 0.000 0.218 531 R C 2.662 178.838 176.300 -0.206 0.000 1.072 531 R CA 1.049 57.007 56.100 -0.237 0.000 0.990 531 R CB -0.416 29.768 30.300 -0.193 0.000 0.889 531 R HN 0.601 nan 8.270 nan 0.000 0.452 532 H N 0.468 119.346 119.070 -0.319 0.000 2.502 532 H HA 0.053 4.609 4.556 -0.000 0.000 0.283 532 H C 1.918 177.044 175.328 -0.337 0.000 1.015 532 H CA 0.721 56.581 56.048 -0.314 0.000 1.298 532 H CB 0.361 29.898 29.762 -0.375 0.000 1.411 532 H HN -0.003 nan 8.280 nan 0.000 0.556 533 R N 0.635 120.914 120.500 -0.368 0.000 2.115 533 R HA -0.058 4.282 4.340 -0.000 0.000 0.226 533 R C 2.037 178.153 176.300 -0.306 0.000 1.100 533 R CA 1.046 56.940 56.100 -0.343 0.000 0.980 533 R CB -0.874 29.245 30.300 -0.301 0.000 0.875 533 R HN 0.344 nan 8.270 nan 0.000 0.445 534 c N 0.789 119.216 118.600 -0.288 0.000 2.446 534 c HA 0.023 4.593 4.570 -0.000 0.000 0.279 534 c C 2.719 176.652 174.090 -0.263 0.000 1.366 534 c CA 0.832 57.013 56.329 -0.247 0.000 1.763 534 c CB -0.905 41.463 42.510 -0.236 0.000 1.929 534 c HN 0.549 nan 8.230 nan 0.000 0.509 535 R N 0.696 120.998 120.500 -0.330 0.000 2.119 535 R HA 0.041 4.381 4.340 -0.000 0.000 0.222 535 R C 1.961 177.997 176.300 -0.440 0.000 1.088 535 R CA 1.365 57.249 56.100 -0.360 0.000 0.984 535 R CB -0.441 29.631 30.300 -0.380 0.000 0.884 535 R HN 0.361 nan 8.270 nan 0.000 0.447 536 M N 0.962 120.265 119.600 -0.495 0.000 2.132 536 M HA -0.107 4.373 4.480 -0.000 0.000 0.263 536 M C 2.210 178.346 176.300 -0.273 0.000 1.065 536 M CA 1.450 56.487 55.300 -0.438 0.000 1.122 536 M CB -0.080 32.269 32.600 -0.420 0.000 1.365 536 M HN 0.043 nan 8.290 nan 0.000 0.411 537 V N 0.559 120.339 119.914 -0.223 0.000 2.332 537 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 537 V C 1.942 177.960 176.094 -0.126 0.000 1.055 537 V CA 1.962 64.175 62.300 -0.144 0.000 1.038 537 V CB -0.779 30.969 31.823 -0.125 0.000 0.651 537 V HN 0.497 nan 8.190 nan 0.000 0.450 538 E N -0.298 119.809 120.200 -0.154 0.000 2.268 538 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 538 E C 1.966 178.504 176.600 -0.104 0.000 0.995 538 E CA 0.589 56.917 56.400 -0.119 0.000 0.836 538 E CB -0.089 29.534 29.700 -0.130 0.000 0.763 538 E HN 0.530 nan 8.360 nan 0.000 0.491 539 R N -0.349 120.052 120.500 -0.164 0.000 2.391 539 R HA 0.113 4.453 4.340 -0.000 0.000 0.249 539 R C 0.635 176.941 176.300 0.009 0.000 0.957 539 R CA 0.409 56.444 56.100 -0.109 0.000 1.093 539 R CB 0.632 30.658 30.300 -0.457 0.000 1.156 539 R HN 0.181 nan 8.270 nan 0.000 0.526 540 G N 1.234 110.022 108.800 -0.019 0.000 2.137 540 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.237 540 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.237 540 G C -0.020 174.877 174.900 -0.005 0.000 1.002 540 G CA -0.357 44.747 45.100 0.005 0.000 0.702 540 G HN 0.185 nan 8.290 nan 0.000 0.515 541 I N 1.068 121.611 120.570 -0.044 0.000 2.330 541 I HA 0.541 4.711 4.170 -0.000 0.000 0.286 541 I C 0.991 177.075 176.117 -0.056 0.000 1.025 541 I CA -0.878 60.382 61.300 -0.066 0.000 1.197 541 I CB 0.885 38.795 38.000 -0.151 0.000 1.358 541 I HN 0.303 nan 8.210 nan 0.000 0.467 542 A N 5.969 128.782 122.820 -0.012 0.000 3.052 542 A HA 0.482 4.801 4.320 -0.000 0.000 0.266 542 A C 0.943 178.544 177.584 0.029 0.000 1.855 542 A CA -0.255 51.783 52.037 0.001 0.000 1.473 542 A CB -0.695 18.312 19.000 0.012 0.000 1.038 542 A HN 0.766 nan 8.150 nan 0.000 0.619 543 A N 1.943 124.768 122.820 0.008 0.000 2.366 543 A HA 0.491 4.811 4.320 -0.000 0.000 0.272 543 A C 0.650 178.239 177.584 0.007 0.000 1.135 543 A CA -0.512 51.552 52.037 0.046 0.000 0.804 543 A CB 0.136 19.143 19.000 0.011 0.000 1.064 543 A HN 0.883 nan 8.150 nan 0.000 0.499 544 Q N 2.953 122.770 119.800 0.028 0.000 2.417 544 Q HA 0.445 4.785 4.340 -0.000 0.000 0.241 544 Q C -2.447 173.544 176.000 -0.014 0.000 1.008 544 Q CA -1.562 54.248 55.803 0.013 0.000 0.901 544 Q CB 0.196 28.954 28.738 0.034 0.000 1.259 544 Q HN 0.474 nan 8.270 nan 0.000 0.489 545 P HA 0.076 nan 4.420 nan 0.000 0.277 545 P C 0.024 177.334 177.300 0.017 0.000 1.240 545 P CA -0.305 62.784 63.100 -0.019 0.000 0.798 545 P CB 1.024 32.722 31.700 -0.004 0.000 0.979 546 L N 0.771 121.998 121.223 0.007 0.000 2.131 546 L HA 0.066 4.406 4.340 -0.000 0.000 0.206 546 L C 0.874 177.941 176.870 0.328 0.000 1.087 546 L CA 1.555 56.457 54.840 0.103 0.000 0.767 546 L CB -0.321 41.722 42.059 -0.028 0.000 0.917 546 L HN 0.441 nan 8.230 nan 0.000 0.441 547 Y N -1.738 118.634 120.300 0.120 0.000 2.871 547 Y HA 0.523 5.073 4.550 -0.000 0.000 0.331 547 Y C -0.722 175.237 175.900 0.099 0.000 1.378 547 Y CA -1.373 56.806 58.100 0.132 0.000 1.079 547 Y CB 0.787 39.373 38.460 0.209 0.000 1.441 547 Y HN -0.176 nan 8.280 nan 0.000 0.446 548 A N 1.480 124.002 122.820 -0.497 0.000 2.561 548 A HA 0.501 4.821 4.320 -0.000 0.000 0.234 548 A C 0.572 178.173 177.584 0.029 0.000 1.055 548 A CA 1.493 53.373 52.037 -0.262 0.000 0.756 548 A CB -1.084 17.676 19.000 -0.400 0.000 0.986 548 A HN 1.879 nan 8.150 nan 0.000 0.505 549 G N 0.130 108.961 108.800 0.051 0.000 2.350 549 G HA2 0.546 4.506 3.960 -0.000 0.000 0.276 549 G HA3 0.546 4.506 3.960 -0.000 0.000 0.276 549 G C -1.076 173.940 174.900 0.193 0.000 1.313 549 G CA 0.032 45.216 45.100 0.139 0.000 0.903 549 G HN 2.269 nan 8.290 nan 0.000 0.490 550 Y N -1.861 118.418 120.300 -0.035 0.000 2.609 550 Y HA 0.778 5.328 4.550 -0.000 0.000 0.336 550 Y C -0.255 175.608 175.900 -0.061 0.000 1.129 550 Y CA -1.761 56.311 58.100 -0.046 0.000 1.040 550 Y CB 0.620 39.056 38.460 -0.040 0.000 1.310 550 Y HN 0.819 nan 8.280 nan 0.000 0.460 551 c N 3.049 121.535 118.600 -0.190 0.000 2.335 551 c HA 0.669 5.239 4.570 -0.000 0.000 0.363 551 c C -0.299 173.620 174.090 -0.284 0.000 1.198 551 c CA -0.007 56.149 56.329 -0.288 0.000 2.279 551 c CB 0.176 42.589 42.510 -0.162 0.000 2.334 551 c HN 1.069 nan 8.230 nan 0.000 0.559 552 N N 0.000 118.546 118.700 -0.257 0.000 1.763 552 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 552 N CA 0.000 52.953 53.050 -0.162 0.000 0.885 552 N CB 0.000 38.455 38.487 -0.054 0.000 1.341 552 N HN 0.000 nan 8.380 nan 0.000 0.667