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 3k4m_1_C DATA FIRST_RESID 46 DATA SEQUENCE KYDVVIVGSG PIGCTYAREL VGAGYKVAMF DIGEIDSGLK IGAHKKNTVE DATA SEQUENCE YQKNIDKFVN VIQGQLMSVS VPVNTLVVDT LSPTSWQAST FFVRNGSNPE DATA SEQUENCE QDPLRNLSGQ AVTRVVGGMS THWTCATPRF DREQRPLLVK DDADADDAEW DATA SEQUENCE DRLYTKAESY FQTGTDQFKE SIRHNLVLNK LTEEYKGQRD FQQIPLAATR DATA SEQUENCE RSPTFVEWSS ANTVFDLQNR PNTDAPEERF NLFPAVACER VVRNALNSEI DATA SEQUENCE ESLHIHDLIS GDRFEIKADV YVLTAGAVHN TQLLVNSGFG QLGRPNPANP DATA SEQUENCE PELLPSLGSY ITEQSLVFCQ TVMSTELIDS VKSDMTIRGT PGELTYSVTY DATA SEQUENCE TPGASTNKHP DWWNEKVKNH MMQHQEDPLP IPFEDPEPQV TTLFQPSHPW DATA SEQUENCE HTQIHRDAFS WGAVQQSIDS RLIVDWRFFG RTEPKEENKL WFSDKITDAY DATA SEQUENCE NMPQPTFDFR FPAGRTSKEA EDMMTDMCVM SAKIGGFLPG SLPQFMEPGL DATA SEQUENCE VLHLGGTHRM GFDEKEDNCC VNTDSRVFGF KNLFLGGCGN IPTAYGANPT DATA SEQUENCE LTAMSLAIKS CEYIKQNFTP SPFT 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 46 K HA 0.000 nan 4.320 nan 0.000 0.191 46 K C 0.000 176.294 176.600 -0.511 0.000 0.988 46 K CA 0.000 56.074 56.287 -0.355 0.000 0.838 46 K CB 0.000 32.370 32.500 -0.216 0.000 1.064 47 Y N 1.032 121.302 120.300 -0.050 0.000 2.528 47 Y HA 0.320 4.870 4.550 0.001 0.000 0.335 47 Y C 1.203 177.065 175.900 -0.064 0.000 1.093 47 Y CA -0.762 57.301 58.100 -0.062 0.000 1.134 47 Y CB 1.516 39.931 38.460 -0.075 0.000 1.253 47 Y HN 0.418 nan 8.280 nan 0.000 0.478 48 D N 0.335 120.810 120.400 0.125 0.000 2.077 48 D HA -0.040 4.601 4.640 0.001 0.000 0.196 48 D C -0.309 175.991 176.300 0.000 0.000 0.986 48 D CA 1.564 55.626 54.000 0.105 0.000 0.829 48 D CB 0.075 41.002 40.800 0.213 0.000 0.983 48 D HN 0.133 nan 8.370 nan 0.000 0.453 49 V N 1.328 121.227 119.914 -0.026 0.000 2.531 49 V HA 0.365 4.485 4.120 0.001 0.000 0.301 49 V C -0.132 175.854 176.094 -0.181 0.000 1.034 49 V CA -1.018 61.177 62.300 -0.174 0.000 0.865 49 V CB 2.066 33.763 31.823 -0.209 0.000 0.995 49 V HN 0.010 nan 8.190 nan 0.000 0.424 50 V N 3.245 123.010 119.914 -0.249 0.000 2.483 50 V HA 0.730 4.850 4.120 0.001 0.000 0.295 50 V C -0.486 175.528 176.094 -0.132 0.000 1.035 50 V CA -0.576 61.629 62.300 -0.158 0.000 0.896 50 V CB 1.603 33.400 31.823 -0.043 0.000 0.986 50 V HN 0.688 nan 8.190 nan 0.000 0.447 51 I N 4.219 124.734 120.570 -0.091 0.000 2.418 51 I HA 0.403 4.574 4.170 0.001 0.000 0.287 51 I C -0.443 175.681 176.117 0.012 0.000 1.008 51 I CA -0.912 60.330 61.300 -0.097 0.000 1.104 51 I CB 2.093 40.024 38.000 -0.116 0.000 1.264 51 I HN 0.421 nan 8.210 nan 0.000 0.438 52 V N 5.779 125.695 119.914 0.003 0.000 2.405 52 V HA 0.653 4.773 4.120 0.001 0.000 0.264 52 V C 0.664 176.763 176.094 0.008 0.000 1.048 52 V CA -0.055 62.268 62.300 0.039 0.000 0.966 52 V CB 0.250 32.074 31.823 0.002 0.000 1.015 52 V HN 1.074 nan 8.190 nan 0.000 0.477 53 G N 3.975 112.796 108.800 0.034 0.000 3.233 53 G HA2 -0.058 3.903 3.960 0.001 0.000 0.686 53 G HA3 -0.058 3.903 3.960 0.001 0.000 0.686 53 G C 0.007 174.923 174.900 0.026 0.000 1.153 53 G CA -0.262 44.850 45.100 0.021 0.000 0.853 53 G HN 1.272 nan 8.290 nan 0.000 0.582 54 S N 1.365 117.084 115.700 0.031 0.000 2.573 54 S HA 0.583 5.054 4.470 0.001 0.000 0.244 54 S C 1.379 175.995 174.600 0.027 0.000 0.984 54 S CA 0.720 58.950 58.200 0.050 0.000 1.001 54 S CB 0.569 63.807 63.200 0.064 0.000 0.788 54 S HN 1.861 nan 8.310 nan 0.000 0.456 55 G N 2.591 111.396 108.800 0.007 0.000 2.525 55 G HA2 0.395 4.355 3.960 0.001 0.000 0.276 55 G HA3 0.395 4.355 3.960 0.001 0.000 0.276 55 G C -1.315 173.570 174.900 -0.025 0.000 1.388 55 G CA -1.158 43.927 45.100 -0.025 0.000 1.050 55 G HN 0.285 nan 8.290 nan 0.000 0.520 56 P HA 0.019 nan 4.420 nan 0.000 0.224 56 P C 1.678 178.951 177.300 -0.045 0.000 1.157 56 P CA 0.470 63.538 63.100 -0.054 0.000 0.799 56 P CB 0.268 31.932 31.700 -0.060 0.000 0.809 57 I N 0.631 121.199 120.570 -0.004 0.000 2.235 57 I HA -0.022 4.148 4.170 0.001 0.000 0.241 57 I C 2.743 178.926 176.117 0.110 0.000 1.085 57 I CA 1.379 62.706 61.300 0.046 0.000 1.378 57 I CB -2.337 35.713 38.000 0.083 0.000 1.076 57 I HN -0.011 nan 8.210 nan 0.000 0.415 58 G N 0.489 109.335 108.800 0.077 0.000 2.556 58 G HA2 -0.318 3.642 3.960 0.001 0.000 0.220 58 G HA3 -0.318 3.642 3.960 0.001 0.000 0.220 58 G C 1.719 176.641 174.900 0.036 0.000 1.156 58 G CA 1.430 46.565 45.100 0.059 0.000 0.766 58 G HN 0.453 nan 8.290 nan 0.000 0.583 59 C N 0.541 119.838 119.300 -0.005 0.000 2.481 59 C HA 0.117 4.577 4.460 0.001 0.000 0.275 59 C C 3.112 178.000 174.990 -0.170 0.000 1.419 59 C CA 1.163 60.147 59.018 -0.057 0.000 1.773 59 C CB -0.954 26.800 27.740 0.024 0.000 1.862 59 C HN 0.491 nan 8.230 nan 0.000 0.530 60 T N 0.034 114.506 114.554 -0.137 0.000 2.737 60 T HA -0.142 4.208 4.350 0.001 0.000 0.265 60 T C 1.467 176.006 174.700 -0.268 0.000 1.038 60 T CA 1.469 63.444 62.100 -0.209 0.000 1.144 60 T CB -0.421 68.346 68.868 -0.169 0.000 0.866 60 T HN 0.513 nan 8.240 nan 0.000 0.434 61 Y N 1.703 121.875 120.300 -0.214 0.000 2.165 61 Y HA -0.104 4.446 4.550 0.001 0.000 0.286 61 Y C 2.800 178.494 175.900 -0.344 0.000 1.155 61 Y CA 1.040 58.990 58.100 -0.250 0.000 1.164 61 Y CB -0.714 37.616 38.460 -0.217 0.000 0.978 61 Y HN 0.211 nan 8.280 nan 0.000 0.513 62 A N -0.086 122.563 122.820 -0.284 0.000 1.930 62 A HA -0.193 4.127 4.320 0.001 0.000 0.217 62 A C 2.306 179.285 177.584 -1.008 0.000 1.175 62 A CA 1.667 53.311 52.037 -0.656 0.000 0.627 62 A CB -0.621 17.852 19.000 -0.879 0.000 0.815 62 A HN 0.427 nan 8.150 nan 0.000 0.443 63 R N -0.419 119.595 120.500 -0.810 0.000 2.115 63 R HA -0.078 4.262 4.340 0.001 0.000 0.226 63 R C 1.771 177.876 176.300 -0.324 0.000 1.100 63 R CA 1.355 57.121 56.100 -0.556 0.000 0.980 63 R CB -0.155 29.889 30.300 -0.427 0.000 0.875 63 R HN 0.576 nan 8.270 nan 0.000 0.445 64 E N 0.539 120.570 120.200 -0.281 0.000 2.051 64 E HA -0.117 4.234 4.350 0.001 0.000 0.189 64 E C 2.149 178.685 176.600 -0.107 0.000 0.979 64 E CA 0.951 57.257 56.400 -0.157 0.000 0.803 64 E CB -0.007 29.595 29.700 -0.162 0.000 0.761 64 E HN 0.361 nan 8.360 nan 0.000 0.451 65 L N 0.614 121.743 121.223 -0.157 0.000 2.095 65 L HA -0.090 4.250 4.340 0.001 0.000 0.204 65 L C 2.588 179.498 176.870 0.068 0.000 1.080 65 L CA 0.443 55.235 54.840 -0.080 0.000 0.759 65 L CB -0.419 41.482 42.059 -0.263 0.000 0.914 65 L HN -0.040 nan 8.230 nan 0.000 0.439 66 V N 0.653 120.525 119.914 -0.070 0.000 2.392 66 V HA -0.232 3.888 4.120 0.001 0.000 0.249 66 V C 2.570 178.700 176.094 0.061 0.000 1.059 66 V CA 2.087 64.394 62.300 0.012 0.000 1.051 66 V CB -1.164 30.605 31.823 -0.091 0.000 0.658 66 V HN 0.588 nan 8.190 nan 0.000 0.455 67 G N -0.849 107.958 108.800 0.012 0.000 2.471 67 G HA2 -0.036 3.925 3.960 0.001 0.000 0.219 67 G HA3 -0.036 3.925 3.960 0.001 0.000 0.219 67 G C 1.313 176.249 174.900 0.060 0.000 1.125 67 G CA 0.745 45.865 45.100 0.035 0.000 0.775 67 G HN 0.638 nan 8.290 nan 0.000 0.548 68 A N -0.549 122.335 122.820 0.106 0.000 2.379 68 A HA 0.527 4.848 4.320 0.001 0.000 0.236 68 A C 1.828 179.439 177.584 0.046 0.000 1.272 68 A CA 1.031 53.141 52.037 0.123 0.000 0.886 68 A CB -0.316 18.834 19.000 0.250 0.000 0.962 68 A HN 1.437 nan 8.150 nan 0.000 0.504 69 G N -1.800 107.034 108.800 0.057 0.000 2.175 69 G HA2 -0.290 3.670 3.960 0.001 0.000 0.244 69 G HA3 -0.290 3.670 3.960 0.001 0.000 0.244 69 G C -0.002 174.861 174.900 -0.061 0.000 0.982 69 G CA 0.211 45.306 45.100 -0.008 0.000 0.641 69 G HN 0.427 nan 8.290 nan 0.000 0.527 70 Y N 0.802 121.113 120.300 0.018 0.000 2.411 70 Y HA 0.413 4.964 4.550 0.001 0.000 0.333 70 Y C 1.109 177.017 175.900 0.012 0.000 1.186 70 Y CA 0.107 58.211 58.100 0.006 0.000 1.381 70 Y CB 0.721 39.170 38.460 -0.019 0.000 1.273 70 Y HN 0.084 nan 8.280 nan 0.000 0.546 71 K N 3.211 123.693 120.400 0.138 0.000 2.284 71 K HA 0.433 4.754 4.320 0.001 0.000 0.287 71 K C -1.577 175.109 176.600 0.144 0.000 1.081 71 K CA -0.157 56.191 56.287 0.101 0.000 0.910 71 K CB 0.169 32.689 32.500 0.034 0.000 1.088 71 K HN 0.525 nan 8.250 nan 0.000 0.478 72 V N 3.090 123.057 119.914 0.088 0.000 2.604 72 V HA 0.586 4.707 4.120 0.001 0.000 0.305 72 V C -0.445 175.452 176.094 -0.330 0.000 1.043 72 V CA -0.954 61.324 62.300 -0.036 0.000 0.888 72 V CB 1.531 33.388 31.823 0.056 0.000 0.995 72 V HN 0.897 nan 8.190 nan 0.000 0.429 73 A N 5.583 128.059 122.820 -0.573 0.000 2.350 73 A HA 0.941 5.261 4.320 0.001 0.000 0.324 73 A C -0.671 176.502 177.584 -0.686 0.000 1.118 73 A CA -0.614 50.870 52.037 -0.922 0.000 0.783 73 A CB 1.583 19.657 19.000 -1.544 0.000 1.236 73 A HN 0.931 nan 8.150 nan 0.000 0.457 74 M N 2.397 121.525 119.600 -0.786 0.000 2.321 74 M HA 0.752 5.232 4.480 0.001 0.000 0.315 74 M C -2.168 173.798 176.300 -0.556 0.000 1.052 74 M CA -0.416 54.617 55.300 -0.445 0.000 0.936 74 M CB 1.118 33.631 32.600 -0.146 0.000 1.639 74 M HN 0.586 nan 8.290 nan 0.000 0.433 75 F N 2.282 122.198 119.950 -0.057 0.000 2.508 75 F HA 0.546 5.073 4.527 0.001 0.000 0.325 75 F C -0.169 175.611 175.800 -0.032 0.000 1.090 75 F CA -0.498 57.486 58.000 -0.028 0.000 0.945 75 F CB 1.533 40.488 39.000 -0.074 0.000 1.156 75 F HN 0.470 nan 8.300 nan 0.000 0.463 76 D N 2.989 123.476 120.400 0.145 0.000 2.896 76 D HA 0.219 4.859 4.640 0.001 0.000 0.241 76 D C 0.507 176.817 176.300 0.017 0.000 1.188 76 D CA -0.294 53.739 54.000 0.055 0.000 0.879 76 D CB 2.386 43.203 40.800 0.029 0.000 1.553 76 D HN 0.657 nan 8.370 nan 0.000 0.515 77 I N 2.190 122.721 120.570 -0.066 0.000 2.614 77 I HA 0.030 4.200 4.170 0.001 0.000 0.258 77 I C 1.040 177.085 176.117 -0.119 0.000 1.189 77 I CA 0.793 61.995 61.300 -0.164 0.000 1.462 77 I CB 0.212 37.992 38.000 -0.367 0.000 1.092 77 I HN 0.325 nan 8.210 nan 0.000 0.442 78 G N -0.229 108.533 108.800 -0.063 0.000 2.613 78 G HA2 0.492 4.452 3.960 0.001 0.000 0.303 78 G HA3 0.492 4.452 3.960 0.001 0.000 0.303 78 G C -0.909 173.998 174.900 0.011 0.000 1.312 78 G CA -0.454 44.638 45.100 -0.014 0.000 1.036 78 G HN 0.285 nan 8.290 nan 0.000 0.513 79 E N -1.452 118.762 120.200 0.024 0.000 2.370 79 E HA 0.422 4.772 4.350 0.001 0.000 0.259 79 E C -0.601 176.015 176.600 0.028 0.000 0.947 79 E CA -0.827 55.589 56.400 0.026 0.000 0.809 79 E CB 2.374 32.093 29.700 0.032 0.000 1.300 79 E HN 0.243 nan 8.360 nan 0.000 0.419 80 I N 2.165 122.750 120.570 0.025 0.000 2.371 80 I HA 0.132 4.303 4.170 0.001 0.000 0.290 80 I C -0.643 175.496 176.117 0.037 0.000 1.028 80 I CA 0.110 61.426 61.300 0.027 0.000 1.345 80 I CB 0.374 38.384 38.000 0.017 0.000 1.407 80 I HN 0.552 nan 8.210 nan 0.000 0.501 81 D N 2.822 123.250 120.400 0.047 0.000 3.709 81 D HA 0.056 4.696 4.640 0.001 0.000 0.246 81 D C -0.526 175.824 176.300 0.083 0.000 1.445 81 D CA -0.368 53.669 54.000 0.060 0.000 0.861 81 D CB -0.066 40.768 40.800 0.058 0.000 1.433 81 D HN 0.244 nan 8.370 nan 0.000 0.723 82 S N -0.154 115.599 115.700 0.087 0.000 3.093 82 S HA 0.620 5.090 4.470 0.001 0.000 0.251 82 S C 0.750 175.418 174.600 0.112 0.000 0.905 82 S CA 0.072 58.342 58.200 0.117 0.000 1.124 82 S CB 0.758 64.022 63.200 0.107 0.000 1.124 82 S HN 1.039 nan 8.310 nan 0.000 0.574 83 G N 1.596 110.452 108.800 0.092 0.000 2.645 83 G HA2 -0.238 3.723 3.960 0.001 0.000 0.239 83 G HA3 -0.238 3.723 3.960 0.001 0.000 0.239 83 G C 0.347 175.280 174.900 0.054 0.000 1.331 83 G CA -0.080 45.066 45.100 0.077 0.000 0.890 83 G HN 0.328 nan 8.290 nan 0.000 0.572 84 L N 0.292 121.541 121.223 0.043 0.000 2.313 84 L HA 0.096 4.437 4.340 0.001 0.000 0.214 84 L C 1.499 178.378 176.870 0.014 0.000 1.119 84 L CA 0.924 55.777 54.840 0.022 0.000 0.809 84 L CB -0.295 41.772 42.059 0.013 0.000 0.933 84 L HN 0.371 nan 8.230 nan 0.000 0.449 85 K N 1.878 122.296 120.400 0.030 0.000 2.278 85 K HA 0.246 4.566 4.320 0.001 0.000 0.289 85 K C -0.260 176.356 176.600 0.026 0.000 1.080 85 K CA -0.070 56.231 56.287 0.022 0.000 0.934 85 K CB 0.401 32.930 32.500 0.049 0.000 1.093 85 K HN 0.130 nan 8.250 nan 0.000 0.459 86 I N 2.095 122.663 120.570 -0.004 0.000 2.598 86 I HA -0.054 4.117 4.170 0.001 0.000 0.284 86 I C 1.343 177.469 176.117 0.015 0.000 1.140 86 I CA 0.593 61.895 61.300 0.004 0.000 1.420 86 I CB 0.309 38.298 38.000 -0.017 0.000 1.387 86 I HN 0.943 nan 8.210 nan 0.000 0.553 87 G N 4.399 113.221 108.800 0.036 0.000 2.198 87 G HA2 -0.189 3.771 3.960 0.001 0.000 0.260 87 G HA3 -0.189 3.771 3.960 0.001 0.000 0.260 87 G C 0.282 175.223 174.900 0.068 0.000 1.025 87 G CA 0.136 45.261 45.100 0.041 0.000 0.769 87 G HN 0.972 nan 8.290 nan 0.000 0.507 88 A N -0.578 122.300 122.820 0.098 0.000 2.246 88 A HA 0.666 4.987 4.320 0.001 0.000 0.291 88 A C 0.528 178.234 177.584 0.203 0.000 1.103 88 A CA -0.406 51.728 52.037 0.162 0.000 0.844 88 A CB 0.372 19.470 19.000 0.163 0.000 1.136 88 A HN 0.614 nan 8.150 nan 0.000 0.500 89 H N 0.463 119.668 119.070 0.223 0.000 2.899 89 H HA 0.118 4.674 4.556 0.001 0.000 0.303 89 H C 0.696 176.168 175.328 0.240 0.000 1.042 89 H CA 0.611 56.814 56.048 0.258 0.000 1.479 89 H CB 0.817 30.758 29.762 0.299 0.000 1.493 89 H HN 0.677 nan 8.280 nan 0.000 0.534 90 K N 3.250 123.815 120.400 0.274 0.000 2.360 90 K HA -0.121 4.199 4.320 0.001 0.000 0.201 90 K C 1.531 178.408 176.600 0.462 0.000 1.046 90 K CA 1.041 57.582 56.287 0.423 0.000 0.945 90 K CB 0.229 33.010 32.500 0.468 0.000 0.750 90 K HN 0.530 nan 8.250 nan 0.000 0.464 91 K N 0.248 120.773 120.400 0.209 0.000 2.504 91 K HA 0.050 4.371 4.320 0.001 0.000 0.199 91 K C 0.150 176.827 176.600 0.128 0.000 1.028 91 K CA 0.280 56.436 56.287 -0.218 0.000 1.164 91 K CB 0.202 31.980 32.500 -1.203 0.000 0.877 91 K HN -0.124 nan 8.250 nan 0.000 0.508 92 N N 2.308 121.182 118.700 0.291 0.000 2.466 92 N HA 0.004 4.745 4.740 0.001 0.000 0.251 92 N C -0.834 174.954 175.510 0.462 0.000 1.164 92 N CA 0.226 53.473 53.050 0.328 0.000 0.888 92 N CB 0.971 39.667 38.487 0.348 0.000 1.177 92 N HN 0.453 nan 8.380 nan 0.000 0.498 93 T N -4.070 110.737 114.554 0.422 0.000 2.888 93 T HA 0.325 4.675 4.350 0.001 0.000 0.284 93 T C 1.483 176.422 174.700 0.400 0.000 1.017 93 T CA -0.749 61.571 62.100 0.367 0.000 1.022 93 T CB 1.701 70.729 68.868 0.266 0.000 1.013 93 T HN -0.189 nan 8.240 nan 0.000 0.465 94 V N 1.669 121.768 119.914 0.308 0.000 2.392 94 V HA -0.133 3.988 4.120 0.001 0.000 0.249 94 V C 2.855 179.047 176.094 0.164 0.000 1.059 94 V CA 1.786 64.239 62.300 0.255 0.000 1.051 94 V CB -0.806 31.079 31.823 0.104 0.000 0.658 94 V HN 0.891 nan 8.190 nan 0.000 0.455 95 E N -0.525 119.714 120.200 0.065 0.000 2.051 95 E HA -0.193 4.158 4.350 0.001 0.000 0.192 95 E C 2.184 178.781 176.600 -0.005 0.000 0.991 95 E CA 1.576 57.949 56.400 -0.045 0.000 0.799 95 E CB -0.269 29.291 29.700 -0.234 0.000 0.748 95 E HN 0.720 nan 8.360 nan 0.000 0.449 96 Y N 1.413 121.815 120.300 0.170 0.000 2.242 96 Y HA -0.094 4.457 4.550 0.001 0.000 0.291 96 Y C 2.435 178.409 175.900 0.124 0.000 1.137 96 Y CA 1.000 59.200 58.100 0.168 0.000 1.181 96 Y CB -0.314 38.269 38.460 0.204 0.000 0.989 96 Y HN 0.114 nan 8.280 nan 0.000 0.527 97 Q N -0.034 119.914 119.800 0.247 0.000 2.364 97 Q HA -0.132 4.208 4.340 0.001 0.000 0.207 97 Q C 1.593 177.688 176.000 0.159 0.000 0.970 97 Q CA 0.960 56.859 55.803 0.160 0.000 0.888 97 Q CB -0.119 28.662 28.738 0.071 0.000 0.951 97 Q HN 0.483 nan 8.270 nan 0.000 0.469 98 K N 0.309 120.805 120.400 0.160 0.000 2.379 98 K HA 0.087 4.407 4.320 0.001 0.000 0.194 98 K C 0.329 177.005 176.600 0.126 0.000 1.031 98 K CA 0.212 56.573 56.287 0.124 0.000 1.037 98 K CB 0.570 33.127 32.500 0.095 0.000 0.824 98 K HN 0.118 nan 8.250 nan 0.000 0.516 99 N N 1.146 119.948 118.700 0.170 0.000 2.664 99 N HA 0.041 4.782 4.740 0.001 0.000 0.287 99 N C 0.320 176.000 175.510 0.283 0.000 1.869 99 N CA 0.038 53.205 53.050 0.195 0.000 0.832 99 N CB 0.930 39.517 38.487 0.166 0.000 1.293 99 N HN 0.023 nan 8.380 nan 0.000 0.498 100 I N 0.788 121.505 120.570 0.245 0.000 2.248 100 I HA -0.239 3.931 4.170 0.001 0.000 0.248 100 I C 0.875 177.137 176.117 0.241 0.000 1.107 100 I CA 1.743 63.185 61.300 0.235 0.000 1.373 100 I CB 0.236 38.339 38.000 0.171 0.000 1.055 100 I HN 0.144 nan 8.210 nan 0.000 0.418 101 D N 0.753 121.299 120.400 0.242 0.000 2.312 101 D HA -0.124 4.516 4.640 0.001 0.000 0.211 101 D C 1.844 178.237 176.300 0.155 0.000 0.964 101 D CA 0.506 54.626 54.000 0.200 0.000 0.877 101 D CB -0.020 40.971 40.800 0.318 0.000 0.924 101 D HN 0.282 nan 8.370 nan 0.000 0.515 102 K N 0.192 120.731 120.400 0.231 0.000 2.442 102 K HA -0.070 4.250 4.320 0.001 0.000 0.198 102 K C 1.595 178.286 176.600 0.151 0.000 1.042 102 K CA -0.005 56.422 56.287 0.232 0.000 0.958 102 K CB -0.473 32.240 32.500 0.355 0.000 0.766 102 K HN 0.227 nan 8.250 nan 0.000 0.474 103 F N 0.872 120.780 119.950 -0.071 0.000 2.502 103 F HA -0.101 4.427 4.527 0.001 0.000 0.298 103 F C 1.962 177.622 175.800 -0.233 0.000 1.111 103 F CA 0.275 58.066 58.000 -0.347 0.000 1.445 103 F CB -0.030 38.758 39.000 -0.353 0.000 1.081 103 F HN -0.217 nan 8.300 nan 0.000 0.558 104 V N 0.850 120.661 119.914 -0.172 0.000 2.469 104 V HA -0.340 3.780 4.120 0.001 0.000 0.251 104 V C 1.611 177.519 176.094 -0.310 0.000 1.064 104 V CA 2.744 64.899 62.300 -0.241 0.000 1.066 104 V CB -0.600 31.089 31.823 -0.222 0.000 0.667 104 V HN 0.460 nan 8.190 nan 0.000 0.461 105 N N -0.555 117.988 118.700 -0.262 0.000 2.270 105 N HA -0.091 4.649 4.740 0.001 0.000 0.181 105 N C 1.630 176.960 175.510 -0.301 0.000 1.016 105 N CA 1.333 54.252 53.050 -0.218 0.000 0.870 105 N CB -0.224 38.194 38.487 -0.114 0.000 0.979 105 N HN 0.400 nan 8.380 nan 0.000 0.431 106 V N 1.465 121.080 119.914 -0.499 0.000 2.233 106 V HA -0.245 3.875 4.120 0.001 0.000 0.247 106 V C 2.094 177.866 176.094 -0.536 0.000 1.050 106 V CA 1.521 63.460 62.300 -0.602 0.000 1.010 106 V CB -0.602 30.539 31.823 -1.136 0.000 0.637 106 V HN 0.254 nan 8.190 nan 0.000 0.444 107 I N -0.045 120.113 120.570 -0.687 0.000 2.068 107 I HA -0.414 3.757 4.170 0.001 0.000 0.238 107 I C 2.755 178.652 176.117 -0.366 0.000 1.046 107 I CA 2.180 63.145 61.300 -0.558 0.000 1.306 107 I CB -0.551 37.136 38.000 -0.521 0.000 1.023 107 I HN 0.373 nan 8.210 nan 0.000 0.399 108 Q N 0.201 119.825 119.800 -0.293 0.000 2.234 108 Q HA -0.151 4.189 4.340 0.001 0.000 0.206 108 Q C 2.204 178.117 176.000 -0.145 0.000 0.980 108 Q CA 1.421 57.104 55.803 -0.199 0.000 0.869 108 Q CB -0.485 28.145 28.738 -0.179 0.000 0.912 108 Q HN 0.695 nan 8.270 nan 0.000 0.436 109 G N 1.143 109.852 108.800 -0.151 0.000 2.679 109 G HA2 -0.186 3.775 3.960 0.001 0.000 0.212 109 G HA3 -0.186 3.775 3.960 0.001 0.000 0.212 109 G C 0.863 175.730 174.900 -0.056 0.000 1.137 109 G CA 0.336 45.380 45.100 -0.093 0.000 0.787 109 G HN 0.475 nan 8.290 nan 0.000 0.534 110 Q N -0.449 119.315 119.800 -0.060 0.000 2.115 110 Q HA 0.406 4.746 4.340 0.001 0.000 0.249 110 Q C -0.328 175.694 176.000 0.037 0.000 0.830 110 Q CA -0.308 55.502 55.803 0.012 0.000 1.104 110 Q CB 0.165 28.935 28.738 0.054 0.000 1.207 110 Q HN 0.209 nan 8.270 nan 0.000 0.464 111 L N 2.067 123.282 121.223 -0.013 0.000 2.272 111 L HA 0.488 4.829 4.340 0.001 0.000 0.284 111 L C -0.862 176.023 176.870 0.024 0.000 1.045 111 L CA -0.741 54.107 54.840 0.013 0.000 0.842 111 L CB 0.886 42.921 42.059 -0.039 0.000 1.224 111 L HN 0.228 nan 8.230 nan 0.000 0.430 112 M N 2.077 121.715 119.600 0.063 0.000 2.129 112 M HA 0.250 4.731 4.480 0.001 0.000 0.348 112 M C 0.371 176.717 176.300 0.077 0.000 1.116 112 M CA -0.042 55.298 55.300 0.067 0.000 1.022 112 M CB 1.464 34.121 32.600 0.095 0.000 1.599 112 M HN 0.284 nan 8.290 nan 0.000 0.449 113 S N 1.711 117.441 115.700 0.049 0.000 2.558 113 S HA 0.068 4.538 4.470 0.001 0.000 0.293 113 S C 1.474 176.117 174.600 0.073 0.000 1.292 113 S CA -0.456 57.772 58.200 0.046 0.000 1.063 113 S CB 0.490 63.703 63.200 0.021 0.000 0.831 113 S HN 0.588 nan 8.310 nan 0.000 0.499 114 V N 2.550 122.520 119.914 0.094 0.000 2.407 114 V HA 0.042 4.163 4.120 0.001 0.000 0.245 114 V C 1.108 177.231 176.094 0.047 0.000 1.041 114 V CA 1.292 63.652 62.300 0.099 0.000 1.040 114 V CB 0.218 32.148 31.823 0.178 0.000 0.671 114 V HN 0.784 nan 8.190 nan 0.000 0.455 115 S N -0.464 115.275 115.700 0.065 0.000 2.706 115 S HA 0.503 4.974 4.470 0.001 0.000 0.270 115 S C -1.182 173.426 174.600 0.014 0.000 1.163 115 S CA -0.437 57.768 58.200 0.007 0.000 1.042 115 S CB 1.410 64.607 63.200 -0.005 0.000 1.079 115 S HN -0.020 nan 8.310 nan 0.000 0.474 116 V N 7.484 127.393 119.914 -0.009 0.000 2.384 116 V HA 0.583 4.703 4.120 0.001 0.000 0.287 116 V C -2.003 174.075 176.094 -0.025 0.000 1.020 116 V CA -1.806 60.486 62.300 -0.014 0.000 0.850 116 V CB 1.517 33.331 31.823 -0.015 0.000 0.987 116 V HN 0.689 nan 8.190 nan 0.000 0.436 117 P HA 0.196 nan 4.420 nan 0.000 0.274 117 P C -0.104 177.171 177.300 -0.042 0.000 1.256 117 P CA -0.193 62.888 63.100 -0.032 0.000 0.795 117 P CB 0.749 32.430 31.700 -0.032 0.000 1.038 118 V N 1.867 121.758 119.914 -0.037 0.000 2.788 118 V HA -0.049 4.071 4.120 0.001 0.000 0.307 118 V C 1.138 177.175 176.094 -0.095 0.000 1.069 118 V CA 0.449 62.720 62.300 -0.047 0.000 1.173 118 V CB -0.648 31.168 31.823 -0.011 0.000 0.925 118 V HN 0.643 nan 8.190 nan 0.000 0.492 119 N N 3.042 121.673 118.700 -0.116 0.000 2.419 119 N HA 0.221 4.962 4.740 0.001 0.000 0.277 119 N C 0.401 175.718 175.510 -0.322 0.000 1.006 119 N CA 0.101 53.053 53.050 -0.164 0.000 0.923 119 N CB 1.880 40.304 38.487 -0.104 0.000 1.140 119 N HN 0.827 nan 8.380 nan 0.000 0.488 120 T N 0.719 114.959 114.554 -0.524 0.000 3.182 120 T HA 0.285 4.635 4.350 0.001 0.000 0.277 120 T C 0.819 175.052 174.700 -0.779 0.000 1.013 120 T CA -0.389 60.972 62.100 -1.233 0.000 0.900 120 T CB -0.468 67.797 68.868 -1.005 0.000 1.098 120 T HN 0.289 nan 8.240 nan 0.000 0.543 121 L N 2.038 123.073 121.223 -0.313 0.000 2.453 121 L HA 0.325 4.665 4.340 0.001 0.000 0.272 121 L C 0.124 177.041 176.870 0.077 0.000 1.182 121 L CA -0.658 54.122 54.840 -0.100 0.000 0.858 121 L CB 0.691 42.719 42.059 -0.051 0.000 1.120 121 L HN 0.054 nan 8.230 nan 0.000 0.474 122 V N 4.675 124.656 119.914 0.112 0.000 2.406 122 V HA 0.151 4.271 4.120 0.001 0.000 0.272 122 V C 0.211 176.369 176.094 0.106 0.000 1.043 122 V CA -0.446 61.967 62.300 0.189 0.000 0.915 122 V CB 1.484 33.397 31.823 0.150 0.000 0.988 122 V HN 0.419 nan 8.190 nan 0.000 0.466 123 V N 5.497 125.474 119.914 0.104 0.000 2.277 123 V HA 0.314 4.435 4.120 0.001 0.000 0.269 123 V C 0.211 176.332 176.094 0.045 0.000 1.036 123 V CA -0.434 61.905 62.300 0.064 0.000 0.821 123 V CB 1.203 33.065 31.823 0.064 0.000 1.052 123 V HN 1.064 nan 8.190 nan 0.000 0.462 124 D N 2.033 122.452 120.400 0.033 0.000 2.593 124 D HA 0.022 4.663 4.640 0.001 0.000 0.241 124 D C 1.097 177.404 176.300 0.011 0.000 1.257 124 D CA 0.171 54.181 54.000 0.017 0.000 0.828 124 D CB 0.446 41.255 40.800 0.015 0.000 1.049 124 D HN 0.538 nan 8.370 nan 0.000 0.490 125 T N -2.401 112.162 114.554 0.016 0.000 3.182 125 T HA 0.278 4.629 4.350 0.001 0.000 0.277 125 T C 0.850 175.560 174.700 0.016 0.000 1.013 125 T CA -0.533 61.576 62.100 0.014 0.000 0.900 125 T CB -0.119 68.758 68.868 0.015 0.000 1.098 125 T HN 0.044 nan 8.240 nan 0.000 0.543 126 L N 2.448 123.682 121.223 0.019 0.000 2.554 126 L HA 0.124 4.464 4.340 0.001 0.000 0.293 126 L C 1.167 178.046 176.870 0.015 0.000 1.252 126 L CA -0.165 54.689 54.840 0.023 0.000 0.862 126 L CB 0.115 42.189 42.059 0.026 0.000 1.113 126 L HN 0.311 nan 8.230 nan 0.000 0.510 127 S N 2.894 118.606 115.700 0.021 0.000 2.552 127 S HA 0.094 4.564 4.470 0.001 0.000 0.289 127 S C -1.347 173.259 174.600 0.010 0.000 1.304 127 S CA -1.091 57.118 58.200 0.016 0.000 1.063 127 S CB 0.808 64.022 63.200 0.023 0.000 0.848 127 S HN 0.406 nan 8.310 nan 0.000 0.499 128 P HA -0.049 nan 4.420 nan 0.000 0.223 128 P C 1.210 178.508 177.300 -0.002 0.000 1.144 128 P CA 1.075 64.170 63.100 -0.008 0.000 0.783 128 P CB -0.312 31.382 31.700 -0.010 0.000 0.771 129 T N -5.616 108.946 114.554 0.013 0.000 3.088 129 T HA 0.104 4.454 4.350 0.001 0.000 0.259 129 T C 0.976 175.706 174.700 0.049 0.000 1.122 129 T CA 0.033 62.148 62.100 0.026 0.000 1.095 129 T CB -0.488 68.398 68.868 0.030 0.000 0.930 129 T HN -0.094 nan 8.240 nan 0.000 0.508 130 S N 1.212 116.943 115.700 0.052 0.000 2.565 130 S HA 0.328 4.798 4.470 0.001 0.000 0.274 130 S C -0.605 174.068 174.600 0.121 0.000 1.309 130 S CA -1.006 57.253 58.200 0.098 0.000 1.043 130 S CB 0.255 63.508 63.200 0.089 0.000 0.939 130 S HN 0.585 nan 8.310 nan 0.000 0.504 131 W N 3.080 124.390 121.300 0.017 0.000 2.347 131 W HA 0.150 4.810 4.660 0.001 0.000 0.333 131 W C 0.366 176.904 176.519 0.031 0.000 1.383 131 W CA 0.492 57.848 57.345 0.019 0.000 1.283 131 W CB 0.165 29.637 29.460 0.021 0.000 1.253 131 W HN 0.549 nan 8.180 nan 0.000 0.563 132 Q N 4.327 123.785 119.800 -0.571 0.000 2.413 132 Q HA 0.671 5.011 4.340 0.001 0.000 0.276 132 Q C -0.683 174.812 176.000 -0.842 0.000 1.099 132 Q CA -0.928 54.612 55.803 -0.438 0.000 0.814 132 Q CB 1.896 30.463 28.738 -0.284 0.000 1.379 132 Q HN 0.579 nan 8.270 nan 0.000 0.436 133 A N 1.448 124.050 122.820 -0.363 0.000 2.304 133 A HA 0.367 4.688 4.320 0.001 0.000 0.271 133 A C 0.335 177.762 177.584 -0.263 0.000 1.091 133 A CA -0.188 51.713 52.037 -0.226 0.000 0.812 133 A CB 1.074 20.181 19.000 0.180 0.000 1.056 133 A HN 0.835 nan 8.150 nan 0.000 0.489 134 S N -1.013 114.568 115.700 -0.198 0.000 2.483 134 S HA 0.123 4.593 4.470 0.001 0.000 0.221 134 S C 0.873 175.368 174.600 -0.176 0.000 1.030 134 S CA 0.975 59.068 58.200 -0.178 0.000 0.925 134 S CB -0.012 63.106 63.200 -0.136 0.000 0.795 134 S HN 1.113 nan 8.310 nan 0.000 0.511 135 T N -1.429 113.066 114.554 -0.098 0.000 2.901 135 T HA 0.594 4.945 4.350 0.001 0.000 0.293 135 T C -0.694 173.942 174.700 -0.108 0.000 1.084 135 T CA -0.691 61.333 62.100 -0.126 0.000 1.008 135 T CB 0.658 69.566 68.868 0.068 0.000 1.170 135 T HN -0.086 nan 8.240 nan 0.000 0.509 136 F N 3.095 123.106 119.950 0.101 0.000 2.662 136 F HA 0.304 4.832 4.527 0.001 0.000 0.365 136 F C 0.638 176.452 175.800 0.024 0.000 1.222 136 F CA -1.941 56.068 58.000 0.016 0.000 1.315 136 F CB -1.551 37.446 39.000 -0.005 0.000 1.711 136 F HN 0.541 nan 8.300 nan 0.000 0.651 137 F N -1.433 118.620 119.950 0.172 0.000 2.408 137 F HA 0.483 5.010 4.527 0.001 0.000 0.303 137 F C 0.073 175.948 175.800 0.125 0.000 1.268 137 F CA -1.565 56.514 58.000 0.133 0.000 1.218 137 F CB -0.303 38.764 39.000 0.112 0.000 1.283 137 F HN -0.240 nan 8.300 nan 0.000 0.545 138 V N 2.554 122.622 119.914 0.256 0.000 2.405 138 V HA 0.338 4.459 4.120 0.001 0.000 0.264 138 V C 0.045 176.196 176.094 0.096 0.000 1.048 138 V CA -0.185 62.186 62.300 0.119 0.000 0.966 138 V CB -0.384 31.530 31.823 0.152 0.000 1.015 138 V HN 0.685 nan 8.190 nan 0.000 0.477 139 R N 3.812 124.261 120.500 -0.087 0.000 2.807 139 R HA 0.482 4.822 4.340 0.001 0.000 0.276 139 R C 0.188 176.467 176.300 -0.035 0.000 0.979 139 R CA -0.981 55.060 56.100 -0.098 0.000 0.928 139 R CB 1.167 31.277 30.300 -0.317 0.000 1.191 139 R HN 0.656 nan 8.270 nan 0.000 0.471 140 N N 0.714 119.413 118.700 -0.001 0.000 2.710 140 N HA -0.214 4.526 4.740 0.001 0.000 0.249 140 N C 0.471 175.978 175.510 -0.005 0.000 1.059 140 N CA 1.649 54.696 53.050 -0.004 0.000 0.720 140 N CB -1.078 37.399 38.487 -0.017 0.000 0.983 140 N HN 1.076 nan 8.380 nan 0.000 0.544 141 G N -2.199 106.604 108.800 0.004 0.000 2.157 141 G HA2 -0.297 3.664 3.960 0.001 0.000 0.239 141 G HA3 -0.297 3.664 3.960 0.001 0.000 0.239 141 G C 0.233 175.134 174.900 0.002 0.000 0.982 141 G CA 0.671 45.774 45.100 0.005 0.000 0.650 141 G HN 1.253 nan 8.290 nan 0.000 0.527 142 S N -0.467 115.231 115.700 -0.005 0.000 2.593 142 S HA 0.508 4.979 4.470 0.001 0.000 0.269 142 S C 0.161 174.758 174.600 -0.005 0.000 1.334 142 S CA -0.032 58.161 58.200 -0.012 0.000 1.015 142 S CB 1.752 64.936 63.200 -0.027 0.000 0.912 142 S HN 0.514 nan 8.310 nan 0.000 0.541 143 N N 2.151 120.840 118.700 -0.019 0.000 2.527 143 N HA 0.351 5.091 4.740 0.001 0.000 0.236 143 N C -1.683 173.817 175.510 -0.017 0.000 0.999 143 N CA -2.489 50.542 53.050 -0.031 0.000 0.935 143 N CB 1.126 39.567 38.487 -0.077 0.000 1.132 143 N HN 0.398 nan 8.380 nan 0.000 0.511 144 P HA -0.043 nan 4.420 nan 0.000 0.230 144 P C 0.391 177.716 177.300 0.043 0.000 1.158 144 P CA 0.759 63.880 63.100 0.035 0.000 0.769 144 P CB 0.568 32.304 31.700 0.060 0.000 0.807 145 E N -0.088 120.125 120.200 0.022 0.000 2.338 145 E HA -0.127 4.223 4.350 0.001 0.000 0.197 145 E C 0.911 177.532 176.600 0.035 0.000 1.007 145 E CA 0.730 57.163 56.400 0.056 0.000 0.849 145 E CB -0.145 29.523 29.700 -0.053 0.000 0.774 145 E HN 0.333 nan 8.360 nan 0.000 0.506 146 Q N 2.048 121.833 119.800 -0.024 0.000 2.322 146 Q HA 0.047 4.387 4.340 0.001 0.000 0.256 146 Q C -0.891 175.120 176.000 0.019 0.000 0.960 146 Q CA -0.293 55.492 55.803 -0.031 0.000 0.934 146 Q CB 0.931 29.632 28.738 -0.062 0.000 1.200 146 Q HN -0.199 nan 8.270 nan 0.000 0.435 147 D N 6.090 126.520 120.400 0.049 0.000 2.358 147 D HA 0.057 4.698 4.640 0.001 0.000 0.258 147 D C -1.640 174.676 176.300 0.027 0.000 1.223 147 D CA -1.812 52.216 54.000 0.046 0.000 0.886 147 D CB 1.296 42.137 40.800 0.067 0.000 1.120 147 D HN 0.448 nan 8.370 nan 0.000 0.482 148 P HA -0.105 nan 4.420 nan 0.000 0.225 148 P C 1.285 178.588 177.300 0.004 0.000 1.148 148 P CA 0.712 63.809 63.100 -0.004 0.000 0.779 148 P CB 0.340 32.025 31.700 -0.025 0.000 0.780 149 L N -1.427 119.803 121.223 0.011 0.000 2.592 149 L HA 0.169 4.509 4.340 0.001 0.000 0.227 149 L C 1.551 178.436 176.870 0.026 0.000 1.127 149 L CA 0.270 55.118 54.840 0.013 0.000 0.884 149 L CB -0.149 41.914 42.059 0.006 0.000 1.065 149 L HN -0.187 nan 8.230 nan 0.000 0.457 150 R N -0.095 120.430 120.500 0.041 0.000 2.711 150 R HA 0.215 4.555 4.340 0.001 0.000 0.350 150 R C -0.517 175.843 176.300 0.099 0.000 1.146 150 R CA -0.241 55.895 56.100 0.060 0.000 1.190 150 R CB 0.402 30.737 30.300 0.060 0.000 1.312 150 R HN 0.046 nan 8.270 nan 0.000 0.635 151 N N 0.439 119.178 118.700 0.064 0.000 2.471 151 N HA 0.395 5.136 4.740 0.001 0.000 0.288 151 N C -0.748 174.682 175.510 -0.132 0.000 1.220 151 N CA -0.658 52.407 53.050 0.025 0.000 0.893 151 N CB 1.343 39.837 38.487 0.010 0.000 1.256 151 N HN 0.087 nan 8.380 nan 0.000 0.534 152 L N 2.058 123.039 121.223 -0.403 0.000 2.494 152 L HA 0.207 4.547 4.340 0.001 0.000 0.251 152 L C 1.509 178.189 176.870 -0.317 0.000 1.119 152 L CA -0.266 54.219 54.840 -0.590 0.000 1.026 152 L CB 0.415 41.745 42.059 -1.215 0.000 1.370 152 L HN 0.644 nan 8.230 nan 0.000 0.426 153 S N -0.015 115.594 115.700 -0.152 0.000 2.399 153 S HA -0.130 4.341 4.470 0.001 0.000 0.231 153 S C 1.811 176.365 174.600 -0.076 0.000 1.022 153 S CA 1.134 59.288 58.200 -0.076 0.000 0.983 153 S CB -0.217 62.956 63.200 -0.045 0.000 0.803 153 S HN 0.625 nan 8.310 nan 0.000 0.480 154 G N 0.578 109.319 108.800 -0.098 0.000 2.712 154 G HA2 0.076 4.037 3.960 0.001 0.000 0.212 154 G HA3 0.076 4.037 3.960 0.001 0.000 0.212 154 G C 0.590 175.445 174.900 -0.074 0.000 1.142 154 G CA -0.269 44.785 45.100 -0.076 0.000 0.789 154 G HN 0.398 nan 8.290 nan 0.000 0.535 155 Q N 0.647 120.374 119.800 -0.122 0.000 2.286 155 Q HA 0.439 4.779 4.340 0.001 0.000 0.290 155 Q C -0.104 175.913 176.000 0.027 0.000 1.049 155 Q CA 0.390 56.150 55.803 -0.072 0.000 0.923 155 Q CB 1.202 29.840 28.738 -0.167 0.000 1.183 155 Q HN 0.300 nan 8.270 nan 0.000 0.383 156 A N 2.220 125.074 122.820 0.056 0.000 2.587 156 A HA 0.722 5.043 4.320 0.001 0.000 0.293 156 A C -0.921 176.730 177.584 0.112 0.000 1.087 156 A CA -0.595 51.487 52.037 0.075 0.000 0.692 156 A CB 1.372 20.398 19.000 0.044 0.000 1.291 156 A HN 0.458 nan 8.150 nan 0.000 0.407 157 V N -1.881 118.115 119.914 0.137 0.000 3.046 157 V HA 0.950 5.070 4.120 0.001 0.000 0.316 157 V C -0.372 175.818 176.094 0.161 0.000 1.104 157 V CA -0.604 61.801 62.300 0.174 0.000 1.006 157 V CB 1.693 33.678 31.823 0.269 0.000 1.058 157 V HN 0.863 nan 8.190 nan 0.000 0.440 158 T N 2.537 117.184 114.554 0.154 0.000 2.847 158 T HA 0.535 4.886 4.350 0.001 0.000 0.291 158 T C -0.295 174.452 174.700 0.079 0.000 0.998 158 T CA -0.457 61.717 62.100 0.124 0.000 0.967 158 T CB 0.860 69.808 68.868 0.133 0.000 0.954 158 T HN 0.753 nan 8.240 nan 0.000 0.441 159 R N 2.727 123.265 120.500 0.063 0.000 2.575 159 R HA 0.566 4.906 4.340 0.001 0.000 0.281 159 R C -0.526 175.787 176.300 0.023 0.000 1.272 159 R CA -0.578 55.532 56.100 0.016 0.000 1.417 159 R CB 0.674 30.969 30.300 -0.008 0.000 1.121 159 R HN 0.500 nan 8.270 nan 0.000 0.583 160 V N -2.183 117.743 119.914 0.020 0.000 3.087 160 V HA 0.435 4.556 4.120 0.001 0.000 0.306 160 V C -0.077 176.025 176.094 0.013 0.000 1.187 160 V CA -1.086 61.228 62.300 0.024 0.000 0.999 160 V CB 2.135 33.980 31.823 0.036 0.000 1.049 160 V HN 0.096 nan 8.190 nan 0.000 0.431 161 V N 3.790 123.715 119.914 0.019 0.000 2.493 161 V HA 0.500 4.621 4.120 0.001 0.000 0.292 161 V C 1.686 177.789 176.094 0.014 0.000 1.016 161 V CA 2.035 64.347 62.300 0.020 0.000 1.097 161 V CB -0.032 31.806 31.823 0.025 0.000 0.947 161 V HN 2.058 nan 8.190 nan 0.000 0.479 162 G N 3.447 112.250 108.800 0.005 0.000 2.195 162 G HA2 0.030 3.990 3.960 0.001 0.000 0.224 162 G HA3 0.030 3.990 3.960 0.001 0.000 0.224 162 G C 0.960 175.822 174.900 -0.064 0.000 0.990 162 G CA 0.209 45.300 45.100 -0.015 0.000 0.639 162 G HN 2.089 nan 8.290 nan 0.000 0.514 163 G N 0.010 108.781 108.800 -0.049 0.000 2.564 163 G HA2 -0.254 3.706 3.960 0.001 0.000 0.273 163 G HA3 -0.254 3.706 3.960 0.001 0.000 0.273 163 G C 1.138 175.943 174.900 -0.160 0.000 1.242 163 G CA 1.076 46.135 45.100 -0.069 0.000 0.951 163 G HN 1.050 nan 8.290 nan 0.000 0.564 164 M N 1.481 120.944 119.600 -0.228 0.000 2.476 164 M HA -0.008 4.472 4.480 0.001 0.000 0.262 164 M C 2.679 178.597 176.300 -0.635 0.000 1.079 164 M CA 1.750 56.738 55.300 -0.520 0.000 1.104 164 M CB -0.210 32.224 32.600 -0.278 0.000 1.409 164 M HN 0.738 nan 8.290 nan 0.000 0.467 165 S N -0.695 114.707 115.700 -0.496 0.000 2.603 165 S HA -0.053 4.418 4.470 0.001 0.000 0.229 165 S C 1.567 176.017 174.600 -0.249 0.000 0.972 165 S CA 1.061 58.879 58.200 -0.637 0.000 0.935 165 S CB -0.993 61.824 63.200 -0.638 0.000 0.769 165 S HN 0.562 nan 8.310 nan 0.000 0.536 166 T N -0.711 113.696 114.554 -0.245 0.000 3.113 166 T HA 0.056 4.407 4.350 0.001 0.000 0.256 166 T C 1.243 175.773 174.700 -0.282 0.000 1.131 166 T CA 0.790 62.781 62.100 -0.181 0.000 1.074 166 T CB -0.716 68.128 68.868 -0.040 0.000 0.944 166 T HN 0.927 nan 8.240 nan 0.000 0.516 167 H N -1.974 117.005 119.070 -0.153 0.000 3.650 167 H HA 0.215 4.771 4.556 0.001 0.000 0.260 167 H C 0.373 175.916 175.328 0.358 0.000 1.194 167 H CA -1.147 54.962 56.048 0.101 0.000 1.135 167 H CB -0.361 29.479 29.762 0.131 0.000 1.612 167 H HN 0.447 nan 8.280 nan 0.000 0.703 168 W N 2.736 124.135 121.300 0.165 0.000 2.079 168 W HA 0.285 4.945 4.660 0.001 0.000 0.354 168 W C 0.123 176.762 176.519 0.199 0.000 1.302 168 W CA -0.046 57.448 57.345 0.249 0.000 1.281 168 W CB -0.086 29.421 29.460 0.078 0.000 1.165 168 W HN -0.171 nan 8.180 nan 0.000 0.603 169 T N 1.189 115.729 114.554 -0.024 0.000 2.995 169 T HA -0.075 4.275 4.350 0.001 0.000 0.269 169 T C 1.064 175.312 174.700 -0.753 0.000 1.091 169 T CA 1.607 63.498 62.100 -0.349 0.000 1.128 169 T CB -0.491 68.327 68.868 -0.083 0.000 0.891 169 T HN 0.688 nan 8.240 nan 0.000 0.492 170 C N 0.770 119.305 119.300 -1.274 0.000 4.657 170 C HA -0.083 4.378 4.460 0.001 0.000 0.259 170 C C 1.016 175.486 174.990 -0.866 0.000 1.235 170 C CA -0.865 57.058 59.018 -1.825 0.000 1.733 170 C CB -2.674 24.459 27.740 -1.012 0.000 1.495 170 C HN 0.771 nan 8.230 nan 0.000 0.704 171 A N 1.232 123.748 122.820 -0.505 0.000 2.395 171 A HA 0.547 4.867 4.320 0.001 0.000 0.286 171 A C 0.770 178.246 177.584 -0.179 0.000 1.193 171 A CA 1.140 53.034 52.037 -0.238 0.000 0.852 171 A CB 0.130 19.058 19.000 -0.120 0.000 1.118 171 A HN 1.356 nan 8.150 nan 0.000 0.524 172 T N 1.844 116.310 114.554 -0.147 0.000 3.390 172 T HA 0.540 4.890 4.350 0.001 0.000 0.351 172 T C -2.757 171.882 174.700 -0.102 0.000 1.759 172 T CA -1.622 60.429 62.100 -0.081 0.000 1.561 172 T CB 0.719 69.570 68.868 -0.028 0.000 1.011 172 T HN 0.443 nan 8.240 nan 0.000 0.689 173 P HA 0.394 nan 4.420 nan 0.000 0.286 173 P C -0.213 176.914 177.300 -0.289 0.000 1.261 173 P CA -0.719 62.259 63.100 -0.204 0.000 0.821 173 P CB 1.191 32.743 31.700 -0.246 0.000 1.013 174 R N 1.487 121.717 120.500 -0.451 0.000 2.623 174 R HA 0.217 4.557 4.340 0.001 0.000 0.271 174 R C 0.153 176.291 176.300 -0.270 0.000 1.043 174 R CA -0.128 55.498 56.100 -0.789 0.000 1.083 174 R CB -0.067 29.746 30.300 -0.811 0.000 0.974 174 R HN 0.381 nan 8.270 nan 0.000 0.436 175 F N 2.935 122.626 119.950 -0.431 0.000 2.484 175 F HA -0.006 4.521 4.527 0.001 0.000 0.360 175 F C 1.151 176.753 175.800 -0.329 0.000 1.101 175 F CA -1.121 56.669 58.000 -0.350 0.000 1.251 175 F CB 0.084 38.879 39.000 -0.343 0.000 1.132 175 F HN 0.556 nan 8.300 nan 0.000 0.570 176 D N 3.230 123.535 120.400 -0.158 0.000 2.411 176 D HA 0.129 4.770 4.640 0.001 0.000 0.251 176 D C 1.114 177.305 176.300 -0.181 0.000 1.201 176 D CA -0.449 53.459 54.000 -0.153 0.000 0.996 176 D CB 0.612 41.329 40.800 -0.139 0.000 1.101 176 D HN 0.394 nan 8.370 nan 0.000 0.504 177 R N 0.225 120.646 120.500 -0.130 0.000 2.112 177 R HA -0.195 4.145 4.340 0.001 0.000 0.242 177 R C 1.987 178.218 176.300 -0.113 0.000 1.137 177 R CA 1.659 57.695 56.100 -0.106 0.000 0.944 177 R CB -0.587 29.686 30.300 -0.045 0.000 0.857 177 R HN 0.647 nan 8.270 nan 0.000 0.435 178 E N 0.689 120.818 120.200 -0.118 0.000 2.164 178 E HA -0.271 4.080 4.350 0.001 0.000 0.206 178 E C 1.906 178.383 176.600 -0.206 0.000 1.032 178 E CA 1.603 57.931 56.400 -0.120 0.000 0.832 178 E CB -0.090 29.556 29.700 -0.090 0.000 0.742 178 E HN 0.493 nan 8.360 nan 0.000 0.460 179 Q N -0.468 119.110 119.800 -0.370 0.000 2.356 179 Q HA 0.091 4.431 4.340 0.001 0.000 0.205 179 Q C 0.525 176.410 176.000 -0.192 0.000 0.901 179 Q CA -0.124 55.399 55.803 -0.467 0.000 0.938 179 Q CB 0.585 28.734 28.738 -0.981 0.000 1.081 179 Q HN -0.012 nan 8.270 nan 0.000 0.517 180 R N 1.991 122.433 120.500 -0.097 0.000 2.514 180 R HA 0.320 4.660 4.340 0.001 0.000 0.301 180 R C -2.593 173.702 176.300 -0.008 0.000 0.962 180 R CA -2.044 54.016 56.100 -0.068 0.000 0.882 180 R CB 1.091 31.156 30.300 -0.392 0.000 1.143 180 R HN -0.147 nan 8.270 nan 0.000 0.452 181 P HA 0.057 nan 4.420 nan 0.000 0.275 181 P C -0.558 176.933 177.300 0.318 0.000 1.228 181 P CA -0.186 63.024 63.100 0.184 0.000 0.786 181 P CB 0.765 32.573 31.700 0.180 0.000 0.927 182 L N 2.977 124.331 121.223 0.218 0.000 2.410 182 L HA 0.106 4.446 4.340 0.001 0.000 0.273 182 L C 1.656 178.642 176.870 0.194 0.000 1.152 182 L CA -0.035 54.989 54.840 0.307 0.000 0.855 182 L CB 0.162 42.464 42.059 0.405 0.000 1.129 182 L HN 0.386 nan 8.230 nan 0.000 0.463 183 L N 3.935 125.312 121.223 0.258 0.000 2.642 183 L HA 0.203 4.543 4.340 0.001 0.000 0.233 183 L C -0.218 176.797 176.870 0.242 0.000 1.077 183 L CA 0.136 55.014 54.840 0.064 0.000 0.879 183 L CB 0.818 42.720 42.059 -0.262 0.000 1.151 183 L HN 0.317 nan 8.230 nan 0.000 0.495 184 V N 1.794 121.877 119.914 0.282 0.000 2.407 184 V HA 0.189 4.309 4.120 0.001 0.000 0.291 184 V C -0.136 176.077 176.094 0.198 0.000 1.018 184 V CA -1.044 61.379 62.300 0.205 0.000 0.842 184 V CB 1.514 33.396 31.823 0.098 0.000 0.996 184 V HN 0.194 nan 8.190 nan 0.000 0.426 185 K N 3.175 123.532 120.400 -0.072 0.000 2.350 185 K HA 0.227 4.547 4.320 0.001 0.000 0.279 185 K C -0.124 176.409 176.600 -0.112 0.000 1.027 185 K CA -0.265 55.858 56.287 -0.274 0.000 0.969 185 K CB 0.525 32.521 32.500 -0.840 0.000 0.954 185 K HN 0.710 nan 8.250 nan 0.000 0.474 186 D N 1.181 121.553 120.400 -0.046 0.000 2.772 186 D HA -0.155 4.485 4.640 0.001 0.000 0.233 186 D C -0.878 175.421 176.300 -0.001 0.000 1.143 186 D CA 1.350 55.337 54.000 -0.022 0.000 0.700 186 D CB -0.508 40.265 40.800 -0.045 0.000 1.076 186 D HN 0.772 nan 8.370 nan 0.000 0.430 187 D N -1.236 119.178 120.400 0.024 0.000 2.584 187 D HA 0.388 5.029 4.640 0.001 0.000 0.238 187 D C 1.040 177.374 176.300 0.058 0.000 1.302 187 D CA 0.235 54.255 54.000 0.033 0.000 0.884 187 D CB 0.463 41.278 40.800 0.025 0.000 1.456 187 D HN 0.031 nan 8.370 nan 0.000 0.528 188 A N 2.596 125.451 122.820 0.059 0.000 1.906 188 A HA -0.308 4.013 4.320 0.001 0.000 0.222 188 A C 1.722 179.352 177.584 0.076 0.000 1.282 188 A CA 2.199 54.279 52.037 0.071 0.000 0.675 188 A CB -0.343 18.689 19.000 0.054 0.000 0.838 188 A HN 0.535 nan 8.150 nan 0.000 0.469 189 D N -0.544 119.891 120.400 0.058 0.000 2.104 189 D HA -0.048 4.593 4.640 0.001 0.000 0.194 189 D C 2.278 178.616 176.300 0.063 0.000 0.994 189 D CA 1.745 55.779 54.000 0.056 0.000 0.830 189 D CB -0.566 40.258 40.800 0.041 0.000 0.959 189 D HN 0.487 nan 8.370 nan 0.000 0.452 190 A N 0.650 123.504 122.820 0.056 0.000 1.930 190 A HA -0.195 4.126 4.320 0.001 0.000 0.217 190 A C 1.947 179.572 177.584 0.069 0.000 1.175 190 A CA 1.970 54.037 52.037 0.049 0.000 0.627 190 A CB -0.663 18.358 19.000 0.035 0.000 0.815 190 A HN 0.201 nan 8.150 nan 0.000 0.443 191 D N 0.028 120.491 120.400 0.104 0.000 2.106 191 D HA -0.197 4.443 4.640 0.001 0.000 0.191 191 D C 1.260 177.711 176.300 0.251 0.000 0.997 191 D CA 1.788 55.893 54.000 0.175 0.000 0.834 191 D CB -0.151 40.782 40.800 0.222 0.000 0.956 191 D HN 0.359 nan 8.370 nan 0.000 0.448 192 D N -0.422 120.099 120.400 0.201 0.000 2.149 192 D HA -0.137 4.503 4.640 0.001 0.000 0.198 192 D C 1.920 178.330 176.300 0.184 0.000 0.990 192 D CA 1.452 55.574 54.000 0.204 0.000 0.839 192 D CB -0.485 40.390 40.800 0.125 0.000 0.948 192 D HN 0.364 nan 8.370 nan 0.000 0.460 193 A N 0.522 123.410 122.820 0.114 0.000 1.930 193 A HA -0.121 4.199 4.320 0.001 0.000 0.215 193 A C 2.101 179.711 177.584 0.043 0.000 1.176 193 A CA 1.422 53.503 52.037 0.074 0.000 0.632 193 A CB -0.370 18.656 19.000 0.044 0.000 0.819 193 A HN 0.094 nan 8.150 nan 0.000 0.445 194 E N -0.534 119.670 120.200 0.007 0.000 2.085 194 E HA -0.219 4.131 4.350 0.001 0.000 0.194 194 E C 1.616 178.110 176.600 -0.177 0.000 0.994 194 E CA 1.714 58.045 56.400 -0.115 0.000 0.801 194 E CB -0.441 29.152 29.700 -0.179 0.000 0.743 194 E HN 0.742 nan 8.360 nan 0.000 0.453 195 W N 0.383 121.633 121.300 -0.083 0.000 2.409 195 W HA -0.041 4.620 4.660 0.001 0.000 0.299 195 W C 2.195 178.661 176.519 -0.088 0.000 1.203 195 W CA 1.122 58.366 57.345 -0.168 0.000 1.298 195 W CB -0.355 29.041 29.460 -0.107 0.000 1.127 195 W HN 0.214 nan 8.180 nan 0.000 0.528 196 D N 0.035 120.594 120.400 0.265 0.000 2.117 196 D HA -0.210 4.431 4.640 0.001 0.000 0.197 196 D C 2.134 178.506 176.300 0.120 0.000 0.987 196 D CA 1.429 55.561 54.000 0.221 0.000 0.829 196 D CB -0.181 40.711 40.800 0.152 0.000 0.961 196 D HN -0.068 nan 8.370 nan 0.000 0.460 197 R N -0.407 120.118 120.500 0.040 0.000 2.083 197 R HA -0.083 4.258 4.340 0.001 0.000 0.237 197 R C 2.430 178.686 176.300 -0.074 0.000 1.137 197 R CA 1.191 57.277 56.100 -0.024 0.000 0.951 197 R CB -0.255 30.012 30.300 -0.055 0.000 0.851 197 R HN 0.284 nan 8.270 nan 0.000 0.434 198 L N -0.848 120.295 121.223 -0.134 0.000 2.072 198 L HA -0.157 4.183 4.340 0.001 0.000 0.205 198 L C 2.248 179.039 176.870 -0.130 0.000 1.079 198 L CA 0.943 55.651 54.840 -0.220 0.000 0.752 198 L CB -0.526 41.290 42.059 -0.405 0.000 0.906 198 L HN 0.203 nan 8.230 nan 0.000 0.436 199 Y N 0.462 120.778 120.300 0.027 0.000 2.224 199 Y HA -0.227 4.323 4.550 0.001 0.000 0.289 199 Y C 2.861 178.746 175.900 -0.024 0.000 1.146 199 Y CA 1.425 59.546 58.100 0.035 0.000 1.182 199 Y CB -1.080 37.429 38.460 0.082 0.000 0.983 199 Y HN 0.135 nan 8.280 nan 0.000 0.524 200 T N -0.567 114.058 114.554 0.119 0.000 2.777 200 T HA -0.179 4.172 4.350 0.001 0.000 0.266 200 T C 1.968 176.633 174.700 -0.058 0.000 1.040 200 T CA 1.615 63.738 62.100 0.038 0.000 1.141 200 T CB -0.114 68.768 68.868 0.023 0.000 0.868 200 T HN 0.214 nan 8.240 nan 0.000 0.444 201 K N 0.820 121.126 120.400 -0.156 0.000 2.167 201 K HA 0.147 4.468 4.320 0.001 0.000 0.203 201 K C 2.399 178.652 176.600 -0.578 0.000 1.052 201 K CA 0.830 56.890 56.287 -0.378 0.000 0.956 201 K CB -0.198 32.043 32.500 -0.430 0.000 0.735 201 K HN 0.245 nan 8.250 nan 0.000 0.451 202 A N 1.099 123.726 122.820 -0.323 0.000 1.930 202 A HA -0.157 4.163 4.320 0.001 0.000 0.217 202 A C 1.764 179.342 177.584 -0.009 0.000 1.175 202 A CA 1.533 53.439 52.037 -0.220 0.000 0.627 202 A CB -0.362 18.636 19.000 -0.003 0.000 0.815 202 A HN 0.428 nan 8.150 nan 0.000 0.443 203 E N 0.005 120.243 120.200 0.063 0.000 2.150 203 E HA -0.128 4.223 4.350 0.001 0.000 0.193 203 E C 2.305 178.993 176.600 0.147 0.000 0.985 203 E CA 1.269 57.763 56.400 0.156 0.000 0.814 203 E CB -0.097 29.667 29.700 0.107 0.000 0.752 203 E HN 0.788 nan 8.360 nan 0.000 0.466 204 S N -0.208 115.525 115.700 0.056 0.000 2.436 204 S HA -0.113 4.357 4.470 0.001 0.000 0.228 204 S C 1.784 176.521 174.600 0.228 0.000 1.014 204 S CA 0.388 58.650 58.200 0.103 0.000 0.950 204 S CB -0.259 62.972 63.200 0.052 0.000 0.784 204 S HN 0.197 nan 8.310 nan 0.000 0.504 205 Y N 0.584 120.886 120.300 0.003 0.000 2.242 205 Y HA 0.172 4.722 4.550 0.001 0.000 0.291 205 Y C 1.799 177.689 175.900 -0.017 0.000 1.137 205 Y CA -0.140 57.915 58.100 -0.075 0.000 1.181 205 Y CB -0.860 37.463 38.460 -0.229 0.000 0.989 205 Y HN 0.327 nan 8.280 nan 0.000 0.527 206 F N -0.153 119.956 119.950 0.266 0.000 2.754 206 F HA 0.069 4.597 4.527 0.001 0.000 0.297 206 F C 0.889 176.803 175.800 0.192 0.000 1.122 206 F CA 0.130 58.275 58.000 0.242 0.000 1.400 206 F CB -0.118 39.044 39.000 0.269 0.000 1.117 206 F HN -0.068 nan 8.300 nan 0.000 0.587 207 Q N 0.234 120.230 119.800 0.327 0.000 2.494 207 Q HA -0.181 4.159 4.340 0.001 0.000 0.272 207 Q C 0.080 176.179 176.000 0.166 0.000 1.145 207 Q CA 0.798 56.721 55.803 0.200 0.000 0.943 207 Q CB -2.804 26.031 28.738 0.162 0.000 1.338 207 Q HN 0.241 nan 8.270 nan 0.000 0.492 208 T N 0.206 114.879 114.554 0.199 0.000 2.905 208 T HA 0.364 4.714 4.350 0.001 0.000 0.299 208 T C 0.796 175.539 174.700 0.073 0.000 1.024 208 T CA 0.783 62.958 62.100 0.126 0.000 1.151 208 T CB 1.064 70.016 68.868 0.139 0.000 0.987 208 T HN 0.481 nan 8.240 nan 0.000 0.535 209 G N 0.798 109.625 108.800 0.044 0.000 2.684 209 G HA2 0.556 4.516 3.960 0.001 0.000 0.290 209 G HA3 0.556 4.516 3.960 0.001 0.000 0.290 209 G C 0.038 174.955 174.900 0.029 0.000 1.425 209 G CA -0.566 44.551 45.100 0.027 0.000 0.822 209 G HN 0.630 nan 8.290 nan 0.000 0.482 210 T N -2.296 112.274 114.554 0.027 0.000 3.339 210 T HA 0.282 4.632 4.350 0.001 0.000 0.292 210 T C 0.081 174.803 174.700 0.036 0.000 1.012 210 T CA 0.441 62.565 62.100 0.040 0.000 0.937 210 T CB 0.356 69.249 68.868 0.042 0.000 1.164 210 T HN 0.521 nan 8.240 nan 0.000 0.509 211 D N 0.196 120.603 120.400 0.012 0.000 2.520 211 D HA 0.058 4.698 4.640 0.001 0.000 0.223 211 D C 1.240 177.495 176.300 -0.075 0.000 1.186 211 D CA -0.096 53.891 54.000 -0.023 0.000 0.821 211 D CB -0.031 40.750 40.800 -0.031 0.000 1.072 211 D HN 0.277 nan 8.370 nan 0.000 0.518 212 Q N -0.398 119.369 119.800 -0.055 0.000 2.369 212 Q HA 0.164 4.505 4.340 0.001 0.000 0.206 212 Q C 0.183 175.913 176.000 -0.450 0.000 0.963 212 Q CA 0.876 56.542 55.803 -0.229 0.000 0.894 212 Q CB -0.182 28.424 28.738 -0.220 0.000 0.965 212 Q HN 0.248 nan 8.270 nan 0.000 0.475 213 F N 0.106 119.894 119.950 -0.271 0.000 2.791 213 F HA 0.252 4.779 4.527 0.001 0.000 0.308 213 F C 1.158 176.720 175.800 -0.396 0.000 1.138 213 F CA -0.654 57.142 58.000 -0.340 0.000 1.294 213 F CB 0.290 39.054 39.000 -0.393 0.000 0.975 213 F HN -0.004 nan 8.300 nan 0.000 0.512 214 K N 0.097 120.399 120.400 -0.164 0.000 2.148 214 K HA -0.111 4.209 4.320 0.001 0.000 0.204 214 K C 0.955 177.511 176.600 -0.073 0.000 1.050 214 K CA 1.678 57.916 56.287 -0.080 0.000 0.942 214 K CB -0.129 32.324 32.500 -0.077 0.000 0.724 214 K HN 0.286 nan 8.250 nan 0.000 0.446 215 E N 1.535 121.598 120.200 -0.228 0.000 2.451 215 E HA 0.069 4.420 4.350 0.001 0.000 0.194 215 E C -0.748 175.763 176.600 -0.149 0.000 1.027 215 E CA -0.371 55.756 56.400 -0.455 0.000 0.914 215 E CB 0.891 30.193 29.700 -0.663 0.000 1.054 215 E HN 0.240 nan 8.360 nan 0.000 0.461 216 S N 0.448 116.159 115.700 0.018 0.000 2.505 216 S HA 0.143 4.613 4.470 0.001 0.000 0.276 216 S C 1.321 175.995 174.600 0.124 0.000 1.274 216 S CA -0.490 57.765 58.200 0.092 0.000 1.053 216 S CB 0.436 63.741 63.200 0.176 0.000 0.919 216 S HN 0.241 nan 8.310 nan 0.000 0.490 217 I N 4.832 125.355 120.570 -0.078 0.000 2.202 217 I HA -0.149 4.021 4.170 0.001 0.000 0.242 217 I C 2.702 178.649 176.117 -0.283 0.000 1.091 217 I CA 1.089 62.103 61.300 -0.476 0.000 1.368 217 I CB -0.335 37.161 38.000 -0.840 0.000 1.058 217 I HN 0.720 nan 8.210 nan 0.000 0.410 218 R N -0.309 120.115 120.500 -0.127 0.000 2.105 218 R HA -0.235 4.106 4.340 0.001 0.000 0.239 218 R C 2.342 178.669 176.300 0.046 0.000 1.135 218 R CA 1.686 57.763 56.100 -0.038 0.000 0.967 218 R CB -0.605 29.689 30.300 -0.011 0.000 0.861 218 R HN 0.444 nan 8.270 nan 0.000 0.442 219 H N 1.113 120.203 119.070 0.033 0.000 2.293 219 H HA -0.043 4.513 4.556 0.001 0.000 0.300 219 H C 1.809 177.202 175.328 0.109 0.000 1.082 219 H CA 1.898 57.989 56.048 0.072 0.000 1.308 219 H CB -0.063 29.775 29.762 0.128 0.000 1.375 219 H HN 0.095 nan 8.280 nan 0.000 0.495 220 N N 0.213 119.041 118.700 0.214 0.000 2.244 220 N HA -0.130 4.611 4.740 0.001 0.000 0.183 220 N C 2.039 177.698 175.510 0.248 0.000 1.016 220 N CA 0.999 54.211 53.050 0.270 0.000 0.866 220 N CB -0.311 38.505 38.487 0.548 0.000 0.980 220 N HN 0.324 nan 8.380 nan 0.000 0.430 221 L N 1.124 122.486 121.223 0.232 0.000 2.042 221 L HA -0.112 4.228 4.340 0.001 0.000 0.210 221 L C 2.047 178.975 176.870 0.097 0.000 1.076 221 L CA 1.361 56.346 54.840 0.241 0.000 0.749 221 L CB -0.473 41.677 42.059 0.152 0.000 0.893 221 L HN -0.113 nan 8.230 nan 0.000 0.432 222 V N -0.930 118.988 119.914 0.007 0.000 2.346 222 V HA -0.206 3.915 4.120 0.001 0.000 0.244 222 V C 2.382 178.400 176.094 -0.127 0.000 1.037 222 V CA 1.459 63.725 62.300 -0.055 0.000 1.029 222 V CB -0.609 31.148 31.823 -0.109 0.000 0.663 222 V HN 0.486 nan 8.190 nan 0.000 0.454 223 L N 1.173 122.294 121.223 -0.170 0.000 1.994 223 L HA -0.166 4.175 4.340 0.001 0.000 0.208 223 L C 2.256 179.069 176.870 -0.095 0.000 1.071 223 L CA 2.106 56.840 54.840 -0.176 0.000 0.745 223 L CB -0.964 40.972 42.059 -0.205 0.000 0.892 223 L HN 0.306 nan 8.230 nan 0.000 0.431 224 N N -0.065 118.629 118.700 -0.010 0.000 2.205 224 N HA -0.224 4.517 4.740 0.001 0.000 0.186 224 N C 1.820 177.314 175.510 -0.027 0.000 1.015 224 N CA 1.460 54.516 53.050 0.010 0.000 0.862 224 N CB -0.334 38.184 38.487 0.051 0.000 0.986 224 N HN 0.355 nan 8.380 nan 0.000 0.429 225 K N 1.223 121.600 120.400 -0.038 0.000 2.076 225 K HA 0.121 4.441 4.320 0.001 0.000 0.204 225 K C 1.930 178.477 176.600 -0.088 0.000 1.051 225 K CA 0.674 56.938 56.287 -0.038 0.000 0.949 225 K CB -0.297 32.199 32.500 -0.007 0.000 0.726 225 K HN 0.086 nan 8.250 nan 0.000 0.443 226 L N 0.193 121.282 121.223 -0.223 0.000 2.093 226 L HA -0.127 4.213 4.340 0.001 0.000 0.208 226 L C 2.232 178.892 176.870 -0.350 0.000 1.085 226 L CA 1.513 56.080 54.840 -0.455 0.000 0.755 226 L CB -0.712 40.652 42.059 -1.158 0.000 0.904 226 L HN 0.239 nan 8.230 nan 0.000 0.435 227 T N -0.673 113.742 114.554 -0.231 0.000 2.652 227 T HA -0.255 4.096 4.350 0.001 0.000 0.267 227 T C 1.762 176.515 174.700 0.088 0.000 1.039 227 T CA 1.890 64.020 62.100 0.050 0.000 1.153 227 T CB -0.082 68.828 68.868 0.070 0.000 0.863 227 T HN 0.316 nan 8.240 nan 0.000 0.428 228 E N 1.062 121.277 120.200 0.024 0.000 2.031 228 E HA -0.159 4.191 4.350 0.001 0.000 0.193 228 E C 2.232 178.839 176.600 0.011 0.000 0.994 228 E CA 1.301 57.710 56.400 0.015 0.000 0.800 228 E CB -0.174 29.516 29.700 -0.016 0.000 0.752 228 E HN 0.288 nan 8.360 nan 0.000 0.447 229 E N -0.634 119.560 120.200 -0.010 0.000 2.160 229 E HA -0.176 4.174 4.350 0.001 0.000 0.195 229 E C 0.663 177.155 176.600 -0.179 0.000 0.991 229 E CA 0.996 57.334 56.400 -0.103 0.000 0.810 229 E CB -0.095 29.527 29.700 -0.130 0.000 0.742 229 E HN 0.478 nan 8.360 nan 0.000 0.466 230 Y N 0.316 120.659 120.300 0.072 0.000 2.751 230 Y HA 0.200 4.750 4.550 0.001 0.000 0.289 230 Y C 0.535 176.506 175.900 0.117 0.000 1.110 230 Y CA -0.396 57.785 58.100 0.135 0.000 1.251 230 Y CB 0.354 38.993 38.460 0.299 0.000 1.178 230 Y HN -0.286 nan 8.280 nan 0.000 0.540 231 K N 0.497 120.992 120.400 0.158 0.000 2.451 231 K HA 0.203 4.524 4.320 0.001 0.000 0.280 231 K C 1.176 177.837 176.600 0.101 0.000 1.020 231 K CA 1.158 57.517 56.287 0.121 0.000 1.008 231 K CB 0.187 32.725 32.500 0.064 0.000 0.917 231 K HN 0.662 nan 8.250 nan 0.000 0.478 232 G N 3.153 112.013 108.800 0.101 0.000 2.168 232 G HA2 -0.304 3.657 3.960 0.001 0.000 0.263 232 G HA3 -0.304 3.657 3.960 0.001 0.000 0.263 232 G C 0.481 175.436 174.900 0.093 0.000 0.977 232 G CA 0.903 46.051 45.100 0.080 0.000 0.659 232 G HN 0.765 nan 8.290 nan 0.000 0.533 233 Q N -1.692 118.190 119.800 0.137 0.000 2.527 233 Q HA 0.266 4.606 4.340 0.001 0.000 0.252 233 Q C 1.054 177.138 176.000 0.140 0.000 0.827 233 Q CA 0.049 55.941 55.803 0.147 0.000 0.979 233 Q CB 1.062 29.915 28.738 0.191 0.000 1.248 233 Q HN 0.465 nan 8.270 nan 0.000 0.578 234 R N 0.774 121.368 120.500 0.156 0.000 2.668 234 R HA 0.384 4.724 4.340 0.001 0.000 0.272 234 R C -1.708 174.604 176.300 0.020 0.000 1.019 234 R CA -0.717 55.381 56.100 -0.002 0.000 0.894 234 R CB 1.774 31.886 30.300 -0.314 0.000 1.228 234 R HN -0.033 nan 8.270 nan 0.000 0.460 235 D N 1.646 121.990 120.400 -0.093 0.000 2.163 235 D HA 0.399 5.040 4.640 0.001 0.000 0.248 235 D C -0.690 175.476 176.300 -0.224 0.000 1.035 235 D CA 0.086 54.072 54.000 -0.023 0.000 0.872 235 D CB 1.117 41.917 40.800 0.001 0.000 1.183 235 D HN 0.146 nan 8.370 nan 0.000 0.445 236 F N 0.684 120.641 119.950 0.012 0.000 2.522 236 F HA 0.394 4.921 4.527 0.001 0.000 0.324 236 F C 0.589 176.401 175.800 0.022 0.000 1.077 236 F CA -0.610 57.388 58.000 -0.004 0.000 0.944 236 F CB 1.800 40.790 39.000 -0.016 0.000 1.175 236 F HN 0.210 nan 8.300 nan 0.000 0.468 237 Q N 0.085 119.994 119.800 0.182 0.000 2.707 237 Q HA 0.353 4.694 4.340 0.001 0.000 0.307 237 Q C -1.500 174.604 176.000 0.174 0.000 0.934 237 Q CA -1.306 54.592 55.803 0.158 0.000 0.753 237 Q CB 1.750 30.549 28.738 0.101 0.000 1.478 237 Q HN 0.611 nan 8.270 nan 0.000 0.458 238 Q N 0.727 120.656 119.800 0.215 0.000 2.392 238 Q HA 0.234 4.574 4.340 0.001 0.000 0.262 238 Q C -0.553 175.513 176.000 0.110 0.000 1.003 238 Q CA -0.154 55.790 55.803 0.235 0.000 0.888 238 Q CB 0.565 29.404 28.738 0.169 0.000 1.260 238 Q HN 0.563 nan 8.270 nan 0.000 0.435 239 I N 5.312 125.921 120.570 0.065 0.000 2.648 239 I HA 0.040 4.211 4.170 0.001 0.000 0.284 239 I C -1.998 174.125 176.117 0.011 0.000 1.153 239 I CA -1.754 59.559 61.300 0.021 0.000 1.426 239 I CB 0.429 38.408 38.000 -0.035 0.000 1.381 239 I HN 0.465 nan 8.210 nan 0.000 0.571 240 P HA 0.303 nan 4.420 nan 0.000 0.276 240 P C -1.010 176.273 177.300 -0.029 0.000 1.230 240 P CA -0.043 63.051 63.100 -0.010 0.000 0.776 240 P CB 0.622 32.304 31.700 -0.029 0.000 0.888 241 L N 1.898 123.121 121.223 -0.001 0.000 2.410 241 L HA 0.615 4.955 4.340 0.001 0.000 0.270 241 L C 0.051 176.926 176.870 0.008 0.000 0.983 241 L CA -1.109 53.732 54.840 0.001 0.000 0.822 241 L CB 2.194 44.324 42.059 0.119 0.000 1.285 241 L HN 0.269 nan 8.230 nan 0.000 0.409 242 A N 3.161 125.948 122.820 -0.054 0.000 2.807 242 A HA 0.771 5.092 4.320 0.001 0.000 0.307 242 A C 0.012 177.650 177.584 0.090 0.000 1.532 242 A CA 0.012 52.070 52.037 0.035 0.000 1.215 242 A CB -0.279 18.688 19.000 -0.055 0.000 1.127 242 A HN 0.748 nan 8.150 nan 0.000 0.543 243 A N 1.771 124.610 122.820 0.032 0.000 2.577 243 A HA 0.742 5.063 4.320 0.001 0.000 0.297 243 A C -0.441 177.048 177.584 -0.159 0.000 1.060 243 A CA -0.472 51.484 52.037 -0.136 0.000 0.697 243 A CB 0.936 19.714 19.000 -0.371 0.000 1.281 243 A HN 0.595 nan 8.150 nan 0.000 0.402 244 T N 1.409 115.838 114.554 -0.208 0.000 2.812 244 T HA 0.501 4.852 4.350 0.001 0.000 0.282 244 T C 0.043 174.588 174.700 -0.259 0.000 0.990 244 T CA -0.482 61.514 62.100 -0.173 0.000 0.960 244 T CB 1.286 70.106 68.868 -0.079 0.000 0.948 244 T HN 0.720 nan 8.240 nan 0.000 0.438 245 R N 2.163 122.498 120.500 -0.274 0.000 2.449 245 R HA 0.171 4.512 4.340 0.001 0.000 0.296 245 R C 0.831 177.044 176.300 -0.146 0.000 1.047 245 R CA -0.322 55.605 56.100 -0.289 0.000 1.018 245 R CB 0.344 30.447 30.300 -0.327 0.000 0.962 245 R HN 0.391 nan 8.270 nan 0.000 0.428 246 R N 1.163 121.629 120.500 -0.056 0.000 2.265 246 R HA 0.120 4.461 4.340 0.001 0.000 0.194 246 R C 0.055 176.346 176.300 -0.015 0.000 0.931 246 R CA 0.642 56.748 56.100 0.009 0.000 1.032 246 R CB 0.175 30.549 30.300 0.123 0.000 0.980 246 R HN 0.776 nan 8.270 nan 0.000 0.497 247 S N -1.740 113.944 115.700 -0.026 0.000 2.645 247 S HA 0.268 4.738 4.470 0.001 0.000 0.268 247 S C -2.790 171.772 174.600 -0.063 0.000 1.110 247 S CA -0.956 57.224 58.200 -0.033 0.000 0.823 247 S CB 1.670 64.873 63.200 0.005 0.000 1.091 247 S HN -0.224 nan 8.310 nan 0.000 0.466 248 P HA 0.118 nan 4.420 nan 0.000 0.239 248 P C 0.789 178.052 177.300 -0.061 0.000 1.184 248 P CA 1.323 64.371 63.100 -0.086 0.000 0.760 248 P CB -0.168 31.497 31.700 -0.059 0.000 0.884 249 T N -6.283 108.266 114.554 -0.008 0.000 3.275 249 T HA 0.332 4.683 4.350 0.001 0.000 0.298 249 T C -0.408 174.351 174.700 0.099 0.000 0.988 249 T CA -0.380 61.738 62.100 0.030 0.000 0.936 249 T CB -0.745 68.163 68.868 0.067 0.000 1.159 249 T HN -0.128 nan 8.240 nan 0.000 0.519 250 F N 1.435 121.313 119.950 -0.120 0.000 2.573 250 F HA 0.660 5.188 4.527 0.001 0.000 0.316 250 F C -1.703 173.955 175.800 -0.236 0.000 1.148 250 F CA -0.992 56.933 58.000 -0.126 0.000 0.940 250 F CB 1.946 40.896 39.000 -0.084 0.000 1.214 250 F HN -0.057 nan 8.300 nan 0.000 0.448 251 V N 5.171 124.552 119.914 -0.889 0.000 2.448 251 V HA 0.269 4.390 4.120 0.001 0.000 0.295 251 V C -0.235 175.246 176.094 -1.022 0.000 1.025 251 V CA -0.846 60.920 62.300 -0.890 0.000 0.859 251 V CB 1.684 32.780 31.823 -1.211 0.000 0.988 251 V HN 0.726 nan 8.190 nan 0.000 0.431 252 E N 4.543 124.460 120.200 -0.472 0.000 1.791 252 E HA 0.089 4.439 4.350 0.001 0.000 0.263 252 E C -0.849 175.566 176.600 -0.308 0.000 1.213 252 E CA -0.423 55.852 56.400 -0.208 0.000 0.991 252 E CB 0.285 30.014 29.700 0.048 0.000 1.068 252 E HN 0.622 nan 8.360 nan 0.000 0.417 253 W N 2.261 123.448 121.300 -0.188 0.000 2.193 253 W HA 0.001 4.661 4.660 0.001 0.000 0.338 253 W C 0.812 177.345 176.519 0.023 0.000 1.310 253 W CA -0.470 56.742 57.345 -0.222 0.000 1.243 253 W CB 0.529 29.601 29.460 -0.646 0.000 1.165 253 W HN 0.259 nan 8.180 nan 0.000 0.566 254 S N 1.533 117.465 115.700 0.387 0.000 2.669 254 S HA 0.688 5.159 4.470 0.001 0.000 0.270 254 S C 0.063 175.114 174.600 0.753 0.000 1.225 254 S CA -0.667 57.822 58.200 0.483 0.000 0.991 254 S CB 1.310 64.805 63.200 0.490 0.000 0.987 254 S HN 0.512 nan 8.310 nan 0.000 0.552 255 S N -0.506 115.556 115.700 0.603 0.000 2.724 255 S HA 0.686 5.156 4.470 0.001 0.000 0.278 255 S C 0.756 175.524 174.600 0.280 0.000 1.190 255 S CA -0.360 58.106 58.200 0.444 0.000 0.860 255 S CB 0.509 63.910 63.200 0.335 0.000 1.206 255 S HN 0.700 nan 8.310 nan 0.000 0.507 256 A N 1.748 124.635 122.820 0.112 0.000 1.865 256 A HA -0.170 4.150 4.320 0.001 0.000 0.217 256 A C 1.996 179.620 177.584 0.067 0.000 1.191 256 A CA 2.139 54.212 52.037 0.059 0.000 0.623 256 A CB -1.601 17.407 19.000 0.013 0.000 0.826 256 A HN 0.874 nan 8.150 nan 0.000 0.444 257 N N -0.482 118.258 118.700 0.067 0.000 2.096 257 N HA -0.202 4.538 4.740 0.001 0.000 0.195 257 N C 1.583 177.112 175.510 0.032 0.000 1.017 257 N CA 2.346 55.414 53.050 0.030 0.000 0.870 257 N CB -0.342 38.178 38.487 0.055 0.000 1.024 257 N HN 0.479 nan 8.380 nan 0.000 0.434 258 T N 0.333 114.955 114.554 0.113 0.000 2.867 258 T HA -0.032 4.318 4.350 0.001 0.000 0.268 258 T C 2.046 176.777 174.700 0.053 0.000 1.057 258 T CA 0.962 63.132 62.100 0.116 0.000 1.136 258 T CB -0.081 68.928 68.868 0.235 0.000 0.874 258 T HN 0.069 nan 8.240 nan 0.000 0.466 259 V N -0.396 119.536 119.914 0.029 0.000 2.283 259 V HA 0.168 4.288 4.120 0.001 0.000 0.243 259 V C 0.478 176.536 176.094 -0.060 0.000 1.039 259 V CA 0.954 63.200 62.300 -0.088 0.000 1.016 259 V CB -0.243 31.488 31.823 -0.153 0.000 0.650 259 V HN 0.477 nan 8.190 nan 0.000 0.449 260 F N 1.070 120.898 119.950 -0.205 0.000 2.607 260 F HA 0.388 4.916 4.527 0.001 0.000 0.322 260 F C 0.404 176.079 175.800 -0.209 0.000 1.176 260 F CA -1.740 56.108 58.000 -0.253 0.000 0.977 260 F CB 1.409 40.218 39.000 -0.318 0.000 1.242 260 F HN 0.188 nan 8.300 nan 0.000 0.465 261 D N 4.755 124.707 120.400 -0.746 0.000 2.350 261 D HA -0.106 4.534 4.640 0.001 0.000 0.216 261 D C 1.291 177.292 176.300 -0.500 0.000 0.968 261 D CA 1.317 55.020 54.000 -0.494 0.000 0.894 261 D CB -0.021 40.537 40.800 -0.404 0.000 0.909 261 D HN 0.708 nan 8.370 nan 0.000 0.520 262 L N -2.233 118.462 121.223 -0.881 0.000 4.937 262 L HA -0.237 4.103 4.340 0.001 0.000 0.422 262 L C -0.157 176.580 176.870 -0.222 0.000 1.059 262 L CA 0.437 55.005 54.840 -0.454 0.000 1.111 262 L CB -1.313 40.697 42.059 -0.082 0.000 2.033 262 L HN 0.209 nan 8.230 nan 0.000 0.708 263 Q N 1.010 120.608 119.800 -0.335 0.000 2.330 263 Q HA 0.133 4.474 4.340 0.001 0.000 0.279 263 Q C 0.385 176.400 176.000 0.026 0.000 1.024 263 Q CA 0.199 55.920 55.803 -0.136 0.000 0.900 263 Q CB 0.423 29.060 28.738 -0.168 0.000 1.221 263 Q HN 0.127 nan 8.270 nan 0.000 0.396 264 N N 1.947 120.702 118.700 0.092 0.000 2.458 264 N HA 0.024 4.764 4.740 0.001 0.000 0.258 264 N C -0.401 175.181 175.510 0.119 0.000 1.219 264 N CA 0.438 53.575 53.050 0.145 0.000 0.902 264 N CB 0.513 38.988 38.487 -0.020 0.000 1.076 264 N HN 0.224 nan 8.380 nan 0.000 0.455 265 R N 2.197 122.814 120.500 0.194 0.000 2.711 265 R HA 0.531 4.872 4.340 0.001 0.000 0.284 265 R C -2.347 174.031 176.300 0.131 0.000 0.968 265 R CA -1.623 54.566 56.100 0.149 0.000 0.924 265 R CB 1.332 31.746 30.300 0.190 0.000 1.162 265 R HN 0.375 nan 8.270 nan 0.000 0.465 266 P HA 0.187 nan 4.420 nan 0.000 0.274 266 P C -1.342 176.007 177.300 0.082 0.000 1.237 266 P CA -0.490 62.698 63.100 0.147 0.000 0.793 266 P CB 0.700 32.529 31.700 0.214 0.000 0.977 267 N N -2.191 116.543 118.700 0.056 0.000 2.825 267 N HA 0.236 4.976 4.740 0.001 0.000 0.253 267 N C 0.410 175.927 175.510 0.011 0.000 1.426 267 N CA -0.808 52.256 53.050 0.023 0.000 0.851 267 N CB -0.536 37.953 38.487 0.003 0.000 1.470 267 N HN 0.026 nan 8.380 nan 0.000 0.517 268 T N -0.661 113.892 114.554 -0.001 0.000 2.680 268 T HA -0.183 4.167 4.350 0.001 0.000 0.268 268 T C 0.448 175.141 174.700 -0.013 0.000 1.033 268 T CA 1.991 64.086 62.100 -0.009 0.000 1.152 268 T CB -0.489 68.371 68.868 -0.013 0.000 0.859 268 T HN 0.555 nan 8.240 nan 0.000 0.452 269 D N 0.748 121.137 120.400 -0.017 0.000 2.249 269 D HA 0.161 4.801 4.640 0.001 0.000 0.205 269 D C 0.898 177.189 176.300 -0.015 0.000 0.962 269 D CA 0.548 54.534 54.000 -0.022 0.000 0.860 269 D CB 0.158 40.937 40.800 -0.035 0.000 0.955 269 D HN 0.379 nan 8.370 nan 0.000 0.505 270 A N 1.723 124.540 122.820 -0.003 0.000 2.978 270 A HA 0.338 4.658 4.320 0.001 0.000 0.341 270 A C -1.863 175.747 177.584 0.043 0.000 1.105 270 A CA -1.034 51.014 52.037 0.019 0.000 0.819 270 A CB 1.081 20.097 19.000 0.028 0.000 1.080 270 A HN -0.127 nan 8.150 nan 0.000 0.476 271 P HA -0.107 nan 4.420 nan 0.000 0.222 271 P C 0.651 177.953 177.300 0.004 0.000 1.153 271 P CA 1.043 64.148 63.100 0.008 0.000 0.798 271 P CB 0.429 32.106 31.700 -0.038 0.000 0.796 272 E N -0.064 120.145 120.200 0.015 0.000 2.499 272 E HA 0.088 4.439 4.350 0.001 0.000 0.199 272 E C -0.189 176.573 176.600 0.270 0.000 1.016 272 E CA -0.125 56.288 56.400 0.021 0.000 0.933 272 E CB 0.267 29.934 29.700 -0.057 0.000 1.050 272 E HN 0.292 nan 8.360 nan 0.000 0.462 273 E N 0.296 120.658 120.200 0.270 0.000 2.207 273 E HA 0.436 4.786 4.350 0.001 0.000 0.270 273 E C -0.745 176.002 176.600 0.244 0.000 0.927 273 E CA -0.817 55.724 56.400 0.235 0.000 0.799 273 E CB 1.932 31.733 29.700 0.168 0.000 1.172 273 E HN -0.026 nan 8.360 nan 0.000 0.404 274 R N 2.065 122.673 120.500 0.180 0.000 2.435 274 R HA 0.424 4.764 4.340 0.001 0.000 0.308 274 R C -1.543 174.878 176.300 0.202 0.000 0.975 274 R CA -0.495 55.673 56.100 0.114 0.000 0.867 274 R CB 0.910 31.183 30.300 -0.044 0.000 1.171 274 R HN 0.392 nan 8.270 nan 0.000 0.470 275 F N 2.213 122.180 119.950 0.029 0.000 2.588 275 F HA 0.451 4.978 4.527 0.001 0.000 0.314 275 F C -1.456 174.297 175.800 -0.079 0.000 1.134 275 F CA -0.689 57.313 58.000 0.003 0.000 0.961 275 F CB 1.986 41.059 39.000 0.123 0.000 1.239 275 F HN 0.371 nan 8.300 nan 0.000 0.448 276 N N 4.501 122.626 118.700 -0.959 0.000 2.296 276 N HA 0.596 5.337 4.740 0.001 0.000 0.294 276 N C -2.017 172.610 175.510 -1.472 0.000 1.033 276 N CA -0.624 51.834 53.050 -0.987 0.000 0.839 276 N CB 2.256 40.328 38.487 -0.692 0.000 1.395 276 N HN 0.561 nan 8.380 nan 0.000 0.479 277 L N 2.663 123.251 121.223 -1.059 0.000 2.307 277 L HA 0.651 4.992 4.340 0.001 0.000 0.284 277 L C -1.695 174.692 176.870 -0.804 0.000 1.023 277 L CA -0.292 54.114 54.840 -0.725 0.000 0.810 277 L CB 0.250 42.217 42.059 -0.153 0.000 1.231 277 L HN 0.484 nan 8.230 nan 0.000 0.423 278 F N 6.276 125.976 119.950 -0.418 0.000 2.646 278 F HA 0.544 5.071 4.527 0.001 0.000 0.364 278 F C -2.265 173.472 175.800 -0.105 0.000 1.137 278 F CA -1.625 56.215 58.000 -0.267 0.000 1.085 278 F CB 1.190 39.983 39.000 -0.345 0.000 1.331 278 F HN 0.405 nan 8.300 nan 0.000 0.472 279 P HA 0.434 nan 4.420 nan 0.000 0.283 279 P C -0.267 177.077 177.300 0.074 0.000 1.278 279 P CA -0.522 62.616 63.100 0.063 0.000 0.834 279 P CB 1.402 33.115 31.700 0.023 0.000 1.150 280 A N -1.020 121.824 122.820 0.040 0.000 2.687 280 A HA -0.080 4.241 4.320 0.001 0.000 0.299 280 A C -0.123 177.473 177.584 0.020 0.000 1.497 280 A CA 0.744 52.794 52.037 0.021 0.000 0.751 280 A CB -2.428 16.590 19.000 0.029 0.000 1.048 280 A HN 0.258 nan 8.150 nan 0.000 0.464 281 V N -0.343 119.594 119.914 0.038 0.000 2.443 281 V HA 0.669 4.789 4.120 0.001 0.000 0.293 281 V C 0.504 176.576 176.094 -0.037 0.000 1.021 281 V CA -0.255 62.064 62.300 0.032 0.000 0.848 281 V CB 1.615 33.549 31.823 0.186 0.000 0.998 281 V HN 1.483 nan 8.190 nan 0.000 0.424 282 A N 4.200 126.964 122.820 -0.094 0.000 2.279 282 A HA 0.494 4.814 4.320 0.001 0.000 0.306 282 A C 0.109 177.639 177.584 -0.090 0.000 1.300 282 A CA -0.235 51.731 52.037 -0.119 0.000 0.925 282 A CB -0.048 18.901 19.000 -0.086 0.000 1.152 282 A HN 0.866 nan 8.150 nan 0.000 0.544 283 C N 2.806 122.036 119.300 -0.116 0.000 2.499 283 C HA 0.316 4.777 4.460 0.001 0.000 0.386 283 C C 1.332 176.291 174.990 -0.051 0.000 1.293 283 C CA -0.220 58.729 59.018 -0.116 0.000 1.884 283 C CB -0.675 26.992 27.740 -0.121 0.000 2.509 283 C HN 0.981 nan 8.230 nan 0.000 0.566 284 E N 1.015 121.221 120.200 0.009 0.000 2.364 284 E HA 0.141 4.491 4.350 0.001 0.000 0.203 284 E C 0.137 176.753 176.600 0.028 0.000 0.888 284 E CA 0.239 56.669 56.400 0.051 0.000 0.989 284 E CB 0.530 30.324 29.700 0.157 0.000 0.985 284 E HN 0.639 nan 8.360 nan 0.000 0.499 285 R N 0.866 121.394 120.500 0.046 0.000 2.604 285 R HA 0.322 4.662 4.340 0.001 0.000 0.270 285 R C -1.172 175.128 176.300 -0.000 0.000 1.052 285 R CA -0.598 55.506 56.100 0.007 0.000 0.902 285 R CB 2.557 32.843 30.300 -0.022 0.000 1.233 285 R HN -0.085 nan 8.270 nan 0.000 0.455 286 V N -0.320 119.572 119.914 -0.037 0.000 2.398 286 V HA 0.561 4.681 4.120 0.001 0.000 0.286 286 V C 0.048 176.098 176.094 -0.073 0.000 1.026 286 V CA -0.818 61.426 62.300 -0.092 0.000 0.868 286 V CB 1.627 33.349 31.823 -0.169 0.000 0.982 286 V HN 0.409 nan 8.190 nan 0.000 0.443 287 V N 5.989 125.851 119.914 -0.087 0.000 2.406 287 V HA 0.445 4.565 4.120 0.001 0.000 0.272 287 V C 0.640 176.712 176.094 -0.037 0.000 1.043 287 V CA -0.413 61.855 62.300 -0.054 0.000 0.915 287 V CB 0.810 32.615 31.823 -0.031 0.000 0.988 287 V HN 0.936 nan 8.190 nan 0.000 0.466 288 R N 4.059 124.557 120.500 -0.004 0.000 2.349 288 R HA 0.312 4.652 4.340 0.001 0.000 0.299 288 R C 0.327 176.668 176.300 0.069 0.000 1.027 288 R CA -0.648 55.515 56.100 0.104 0.000 0.958 288 R CB 0.726 31.072 30.300 0.077 0.000 1.047 288 R HN 0.872 nan 8.270 nan 0.000 0.468 289 N N 2.017 120.770 118.700 0.089 0.000 2.307 289 N HA -0.083 4.657 4.740 0.001 0.000 0.230 289 N C 0.635 176.146 175.510 0.001 0.000 1.297 289 N CA 0.420 53.487 53.050 0.028 0.000 0.884 289 N CB 0.487 38.983 38.487 0.015 0.000 1.115 289 N HN 0.602 nan 8.380 nan 0.000 0.436 290 A N 0.839 123.650 122.820 -0.015 0.000 1.972 290 A HA -0.073 4.247 4.320 0.001 0.000 0.219 290 A C 2.251 179.810 177.584 -0.042 0.000 1.169 290 A CA 0.970 52.991 52.037 -0.026 0.000 0.635 290 A CB -0.725 18.261 19.000 -0.024 0.000 0.810 290 A HN 0.664 nan 8.150 nan 0.000 0.446 291 L N -1.079 120.109 121.223 -0.058 0.000 2.552 291 L HA -0.021 4.320 4.340 0.001 0.000 0.227 291 L C 0.081 176.856 176.870 -0.158 0.000 1.146 291 L CA 0.077 54.863 54.840 -0.090 0.000 0.858 291 L CB -0.361 41.646 42.059 -0.087 0.000 0.969 291 L HN 0.404 nan 8.230 nan 0.000 0.451 292 N N 0.006 118.600 118.700 -0.176 0.000 2.756 292 N HA -0.164 4.577 4.740 0.001 0.000 0.248 292 N C 0.680 175.585 175.510 -1.008 0.000 1.062 292 N CA 1.018 53.873 53.050 -0.326 0.000 0.696 292 N CB -1.235 37.196 38.487 -0.094 0.000 0.946 292 N HN 0.520 nan 8.380 nan 0.000 0.548 293 S N -2.328 112.856 115.700 -0.860 0.000 2.787 293 S HA 0.298 4.768 4.470 0.001 0.000 0.255 293 S C 0.171 174.492 174.600 -0.465 0.000 1.051 293 S CA -0.334 57.436 58.200 -0.716 0.000 1.124 293 S CB 1.671 64.691 63.200 -0.300 0.000 1.104 293 S HN 0.326 nan 8.310 nan 0.000 0.623 294 E N 0.448 120.495 120.200 -0.256 0.000 2.380 294 E HA 0.409 4.759 4.350 0.001 0.000 0.281 294 E C -1.802 174.996 176.600 0.330 0.000 0.999 294 E CA -0.751 55.743 56.400 0.156 0.000 0.800 294 E CB 1.456 31.213 29.700 0.096 0.000 1.228 294 E HN 0.088 nan 8.360 nan 0.000 0.436 295 I N 3.208 123.917 120.570 0.231 0.000 2.353 295 I HA 0.153 4.323 4.170 0.001 0.000 0.293 295 I C 0.882 176.923 176.117 -0.126 0.000 0.992 295 I CA 0.010 61.265 61.300 -0.074 0.000 1.268 295 I CB 1.286 38.969 38.000 -0.528 0.000 1.387 295 I HN 0.640 nan 8.210 nan 0.000 0.478 296 E N 3.146 123.296 120.200 -0.083 0.000 2.460 296 E HA 0.104 4.454 4.350 0.001 0.000 0.200 296 E C 0.183 176.832 176.600 0.082 0.000 1.011 296 E CA 0.197 56.621 56.400 0.039 0.000 0.912 296 E CB 0.626 30.353 29.700 0.045 0.000 0.953 296 E HN 0.696 nan 8.360 nan 0.000 0.494 297 S N -0.366 115.305 115.700 -0.048 0.000 2.712 297 S HA 0.311 4.781 4.470 0.001 0.000 0.279 297 S C -1.902 172.718 174.600 0.034 0.000 1.025 297 S CA -1.039 57.231 58.200 0.117 0.000 0.861 297 S CB 0.461 63.735 63.200 0.124 0.000 1.091 297 S HN 0.025 nan 8.310 nan 0.000 0.457 298 L N 2.526 123.852 121.223 0.171 0.000 2.325 298 L HA 0.722 5.063 4.340 0.001 0.000 0.281 298 L C -0.611 176.280 176.870 0.036 0.000 1.004 298 L CA -0.132 54.759 54.840 0.085 0.000 0.823 298 L CB 1.411 43.534 42.059 0.108 0.000 1.236 298 L HN 1.007 nan 8.230 nan 0.000 0.415 299 H N 5.317 124.354 119.070 -0.055 0.000 2.562 299 H HA 0.655 5.211 4.556 0.001 0.000 0.314 299 H C -0.599 174.682 175.328 -0.077 0.000 1.079 299 H CA -0.333 55.687 56.048 -0.047 0.000 1.349 299 H CB 0.866 30.605 29.762 -0.039 0.000 1.432 299 H HN 0.655 nan 8.280 nan 0.000 0.479 300 I N 1.652 121.941 120.570 -0.469 0.000 2.892 300 I HA 0.418 4.589 4.170 0.001 0.000 0.306 300 I C -1.296 174.703 176.117 -0.197 0.000 1.078 300 I CA -0.997 60.117 61.300 -0.309 0.000 1.032 300 I CB 2.595 40.357 38.000 -0.397 0.000 1.229 300 I HN 0.699 nan 8.210 nan 0.000 0.435 301 H N 3.137 122.116 119.070 -0.152 0.000 2.970 301 H HA 0.224 4.780 4.556 0.001 0.000 0.315 301 H C -1.509 173.827 175.328 0.014 0.000 0.992 301 H CA -0.675 55.337 56.048 -0.059 0.000 1.363 301 H CB 1.384 31.136 29.762 -0.017 0.000 1.532 301 H HN 0.799 nan 8.280 nan 0.000 0.514 302 D N 5.596 126.040 120.400 0.074 0.000 2.346 302 D HA -0.014 4.627 4.640 0.001 0.000 0.260 302 D C 0.994 177.199 176.300 -0.159 0.000 1.252 302 D CA -0.046 53.969 54.000 0.025 0.000 0.895 302 D CB 0.841 41.768 40.800 0.212 0.000 1.097 302 D HN 0.672 nan 8.370 nan 0.000 0.489 303 L N 4.255 125.359 121.223 -0.198 0.000 2.291 303 L HA -0.125 4.216 4.340 0.001 0.000 0.214 303 L C 1.971 178.792 176.870 -0.081 0.000 1.120 303 L CA 0.251 54.947 54.840 -0.241 0.000 0.799 303 L CB -0.077 41.916 42.059 -0.110 0.000 0.925 303 L HN 0.534 nan 8.230 nan 0.000 0.446 304 I N -0.624 119.938 120.570 -0.014 0.000 2.235 304 I HA -0.168 4.002 4.170 0.001 0.000 0.241 304 I C 2.719 178.859 176.117 0.038 0.000 1.085 304 I CA 1.757 63.071 61.300 0.022 0.000 1.378 304 I CB -1.197 36.827 38.000 0.040 0.000 1.076 304 I HN 0.296 nan 8.210 nan 0.000 0.415 305 S N 0.227 115.965 115.700 0.062 0.000 2.446 305 S HA 0.114 4.584 4.470 0.001 0.000 0.225 305 S C 1.817 176.468 174.600 0.086 0.000 1.016 305 S CA 0.810 59.059 58.200 0.080 0.000 0.943 305 S CB 0.117 63.386 63.200 0.115 0.000 0.786 305 S HN 0.598 nan 8.310 nan 0.000 0.508 306 G N 0.902 109.762 108.800 0.101 0.000 2.175 306 G HA2 -0.185 3.775 3.960 0.001 0.000 0.244 306 G HA3 -0.185 3.775 3.960 0.001 0.000 0.244 306 G C -0.449 174.589 174.900 0.230 0.000 0.982 306 G CA 0.115 45.344 45.100 0.215 0.000 0.641 306 G HN 0.553 nan 8.290 nan 0.000 0.527 307 D N 0.818 121.296 120.400 0.131 0.000 2.350 307 D HA 0.450 5.090 4.640 0.001 0.000 0.249 307 D C 0.906 177.150 176.300 -0.095 0.000 1.119 307 D CA 0.075 54.033 54.000 -0.069 0.000 0.886 307 D CB 0.625 41.308 40.800 -0.195 0.000 1.195 307 D HN 0.373 nan 8.370 nan 0.000 0.437 308 R N 2.013 122.323 120.500 -0.318 0.000 2.407 308 R HA 0.556 4.897 4.340 0.001 0.000 0.303 308 R C -0.429 175.504 176.300 -0.611 0.000 0.981 308 R CA -0.499 55.400 56.100 -0.336 0.000 0.905 308 R CB 1.009 31.165 30.300 -0.241 0.000 1.099 308 R HN 0.322 nan 8.270 nan 0.000 0.459 309 F N -0.092 119.707 119.950 -0.251 0.000 2.664 309 F HA 0.432 4.960 4.527 0.001 0.000 0.329 309 F C 0.368 176.046 175.800 -0.204 0.000 1.090 309 F CA -1.238 56.660 58.000 -0.170 0.000 0.978 309 F CB 1.562 40.481 39.000 -0.135 0.000 1.378 309 F HN 0.152 nan 8.300 nan 0.000 0.495 310 E N 1.586 121.871 120.200 0.142 0.000 2.227 310 E HA 0.500 4.850 4.350 0.001 0.000 0.268 310 E C -1.120 175.531 176.600 0.084 0.000 0.907 310 E CA -0.562 55.895 56.400 0.095 0.000 0.786 310 E CB 2.810 32.582 29.700 0.120 0.000 1.191 310 E HN 0.295 nan 8.360 nan 0.000 0.411 311 I N 1.945 122.555 120.570 0.066 0.000 2.436 311 I HA 0.287 4.458 4.170 0.001 0.000 0.289 311 I C 0.096 176.313 176.117 0.167 0.000 1.010 311 I CA -0.894 60.459 61.300 0.088 0.000 1.098 311 I CB 1.593 39.623 38.000 0.049 0.000 1.266 311 I HN 0.331 nan 8.210 nan 0.000 0.434 312 K N 5.021 125.504 120.400 0.139 0.000 2.130 312 K HA 0.850 5.170 4.320 0.001 0.000 0.268 312 K C -0.981 175.669 176.600 0.082 0.000 0.983 312 K CA -0.236 56.156 56.287 0.174 0.000 0.893 312 K CB 1.821 34.397 32.500 0.127 0.000 1.066 312 K HN 0.805 nan 8.250 nan 0.000 0.450 313 A N 2.725 125.544 122.820 -0.002 0.000 2.609 313 A HA 0.358 4.679 4.320 0.001 0.000 0.291 313 A C -0.608 176.902 177.584 -0.123 0.000 1.096 313 A CA -0.716 51.197 52.037 -0.206 0.000 0.684 313 A CB 1.201 19.826 19.000 -0.625 0.000 1.282 313 A HN 0.790 nan 8.150 nan 0.000 0.412 314 D N -0.512 119.853 120.400 -0.059 0.000 2.149 314 D HA 0.137 4.777 4.640 0.001 0.000 0.201 314 D C 0.293 176.603 176.300 0.017 0.000 0.972 314 D CA 1.749 55.799 54.000 0.082 0.000 0.835 314 D CB 0.250 41.143 40.800 0.156 0.000 0.966 314 D HN 0.239 nan 8.370 nan 0.000 0.476 315 V N 0.494 120.260 119.914 -0.247 0.000 2.686 315 V HA 0.286 4.406 4.120 0.001 0.000 0.306 315 V C -1.410 174.476 176.094 -0.346 0.000 1.065 315 V CA -0.884 61.258 62.300 -0.263 0.000 0.894 315 V CB 1.970 33.475 31.823 -0.531 0.000 1.004 315 V HN -0.076 nan 8.190 nan 0.000 0.424 316 Y N 2.946 123.238 120.300 -0.014 0.000 2.326 316 Y HA 0.664 5.215 4.550 0.001 0.000 0.331 316 Y C -0.126 175.742 175.900 -0.054 0.000 0.962 316 Y CA -0.946 57.133 58.100 -0.036 0.000 1.167 316 Y CB 2.042 40.487 38.460 -0.025 0.000 1.148 316 Y HN 0.342 nan 8.280 nan 0.000 0.463 317 V N 5.591 125.462 119.914 -0.071 0.000 2.384 317 V HA 0.401 4.522 4.120 0.001 0.000 0.287 317 V C -0.312 175.644 176.094 -0.229 0.000 1.020 317 V CA -0.869 61.274 62.300 -0.262 0.000 0.850 317 V CB 1.546 32.973 31.823 -0.659 0.000 0.987 317 V HN 0.593 nan 8.190 nan 0.000 0.436 318 L N 5.259 126.350 121.223 -0.220 0.000 2.265 318 L HA 0.550 4.890 4.340 0.001 0.000 0.289 318 L C 0.453 177.220 176.870 -0.172 0.000 1.033 318 L CA -0.182 54.552 54.840 -0.176 0.000 0.814 318 L CB 1.592 43.538 42.059 -0.189 0.000 1.203 318 L HN 0.809 nan 8.230 nan 0.000 0.423 319 T N -1.633 112.857 114.554 -0.106 0.000 3.533 319 T HA 0.319 4.670 4.350 0.001 0.000 0.275 319 T C 0.622 175.333 174.700 0.019 0.000 1.000 319 T CA -0.129 61.951 62.100 -0.032 0.000 1.015 319 T CB 0.864 69.715 68.868 -0.030 0.000 1.153 319 T HN 0.532 nan 8.240 nan 0.000 0.504 320 A N 0.928 123.768 122.820 0.034 0.000 2.359 320 A HA 0.739 5.059 4.320 0.001 0.000 0.240 320 A C 1.416 179.078 177.584 0.131 0.000 1.306 320 A CA 0.073 52.152 52.037 0.069 0.000 0.898 320 A CB -1.105 17.934 19.000 0.065 0.000 0.956 320 A HN 1.676 nan 8.150 nan 0.000 0.497 321 G N -2.358 106.516 108.800 0.124 0.000 2.781 321 G HA2 0.206 4.166 3.960 0.001 0.000 0.683 321 G HA3 0.206 4.166 3.960 0.001 0.000 0.683 321 G C 0.777 175.773 174.900 0.161 0.000 1.390 321 G CA -0.388 44.794 45.100 0.138 0.000 0.850 321 G HN 1.373 nan 8.290 nan 0.000 0.557 322 A N -0.560 122.340 122.820 0.132 0.000 2.067 322 A HA 0.320 4.640 4.320 0.001 0.000 0.219 322 A C 2.495 180.147 177.584 0.113 0.000 1.158 322 A CA 2.843 54.944 52.037 0.107 0.000 0.661 322 A CB -0.120 18.917 19.000 0.062 0.000 0.801 322 A HN 1.515 nan 8.150 nan 0.000 0.452 323 V N -1.421 118.527 119.914 0.057 0.000 2.492 323 V HA -0.105 4.015 4.120 0.001 0.000 0.241 323 V C 2.100 178.170 176.094 -0.041 0.000 1.041 323 V CA 1.773 64.064 62.300 -0.016 0.000 1.057 323 V CB -0.886 30.825 31.823 -0.186 0.000 0.711 323 V HN 0.705 nan 8.190 nan 0.000 0.468 324 H N 0.066 119.217 119.070 0.134 0.000 2.470 324 H HA -0.021 4.535 4.556 0.001 0.000 0.289 324 H C 2.266 177.599 175.328 0.008 0.000 1.033 324 H CA 1.114 57.196 56.048 0.056 0.000 1.331 324 H CB 0.094 29.872 29.762 0.028 0.000 1.414 324 H HN 0.316 nan 8.280 nan 0.000 0.545 325 N N -0.074 118.705 118.700 0.132 0.000 2.069 325 N HA -0.127 4.613 4.740 0.001 0.000 0.191 325 N C 1.764 177.284 175.510 0.017 0.000 1.031 325 N CA 1.897 54.975 53.050 0.046 0.000 0.852 325 N CB -0.562 37.969 38.487 0.074 0.000 1.018 325 N HN 0.330 nan 8.380 nan 0.000 0.423 326 T N 0.840 115.468 114.554 0.122 0.000 2.821 326 T HA -0.129 4.222 4.350 0.001 0.000 0.267 326 T C 1.836 176.440 174.700 -0.160 0.000 1.046 326 T CA 0.906 63.079 62.100 0.123 0.000 1.139 326 T CB -0.094 68.970 68.868 0.326 0.000 0.871 326 T HN 0.335 nan 8.240 nan 0.000 0.454 327 Q N 0.128 119.720 119.800 -0.347 0.000 2.079 327 Q HA -0.090 4.250 4.340 0.001 0.000 0.200 327 Q C 2.304 178.022 176.000 -0.469 0.000 0.974 327 Q CA 1.063 56.279 55.803 -0.978 0.000 0.840 327 Q CB -0.203 28.245 28.738 -0.484 0.000 0.898 327 Q HN 0.365 nan 8.270 nan 0.000 0.430 328 L N 0.739 121.839 121.223 -0.205 0.000 2.017 328 L HA -0.158 4.182 4.340 0.001 0.000 0.208 328 L C 2.106 178.905 176.870 -0.118 0.000 1.073 328 L CA 1.552 56.314 54.840 -0.130 0.000 0.745 328 L CB -0.677 41.332 42.059 -0.084 0.000 0.894 328 L HN 0.283 nan 8.230 nan 0.000 0.432 329 L N -1.579 119.562 121.223 -0.136 0.000 2.013 329 L HA -0.256 4.084 4.340 0.001 0.000 0.212 329 L C 2.425 179.332 176.870 0.062 0.000 1.073 329 L CA 1.360 56.139 54.840 -0.101 0.000 0.753 329 L CB -0.735 41.185 42.059 -0.232 0.000 0.890 329 L HN 0.114 nan 8.230 nan 0.000 0.432 330 V N -0.217 119.676 119.914 -0.036 0.000 2.515 330 V HA -0.242 3.878 4.120 0.001 0.000 0.250 330 V C 2.039 178.113 176.094 -0.033 0.000 1.058 330 V CA 1.820 64.118 62.300 -0.003 0.000 1.064 330 V CB -0.727 31.070 31.823 -0.044 0.000 0.675 330 V HN 0.488 nan 8.190 nan 0.000 0.461 331 N N 0.147 118.789 118.700 -0.097 0.000 2.512 331 N HA -0.089 4.652 4.740 0.001 0.000 0.183 331 N C 1.375 176.865 175.510 -0.033 0.000 1.073 331 N CA 1.000 54.011 53.050 -0.064 0.000 0.911 331 N CB -0.009 38.428 38.487 -0.084 0.000 0.964 331 N HN 0.404 nan 8.380 nan 0.000 0.447 332 S N -1.375 114.329 115.700 0.007 0.000 2.575 332 S HA 0.358 4.828 4.470 0.001 0.000 0.237 332 S C 1.057 175.636 174.600 -0.034 0.000 0.975 332 S CA 0.097 58.306 58.200 0.016 0.000 0.960 332 S CB 0.508 63.769 63.200 0.101 0.000 0.822 332 S HN 0.498 nan 8.310 nan 0.000 0.472 333 G N 1.179 109.959 108.800 -0.034 0.000 2.176 333 G HA2 -0.254 3.706 3.960 0.001 0.000 0.253 333 G HA3 -0.254 3.706 3.960 0.001 0.000 0.253 333 G C -0.045 174.761 174.900 -0.156 0.000 0.979 333 G CA -0.465 44.569 45.100 -0.109 0.000 0.641 333 G HN 0.454 nan 8.290 nan 0.000 0.530 334 F N 1.047 120.969 119.950 -0.046 0.000 2.389 334 F HA 0.505 5.032 4.527 0.001 0.000 0.337 334 F C 1.623 177.433 175.800 0.017 0.000 1.112 334 F CA 1.216 59.200 58.000 -0.027 0.000 1.192 334 F CB 1.025 39.980 39.000 -0.074 0.000 1.185 334 F HN 0.799 nan 8.300 nan 0.000 0.552 335 G N 2.064 111.007 108.800 0.239 0.000 2.547 335 G HA2 -0.285 3.676 3.960 0.001 0.000 0.271 335 G HA3 -0.285 3.676 3.960 0.001 0.000 0.271 335 G C -0.768 174.207 174.900 0.125 0.000 1.209 335 G CA -0.130 45.079 45.100 0.181 0.000 0.959 335 G HN 0.799 nan 8.290 nan 0.000 0.563 336 Q N -0.735 119.143 119.800 0.131 0.000 2.304 336 Q HA 0.617 4.958 4.340 0.001 0.000 0.270 336 Q C -0.812 175.267 176.000 0.132 0.000 1.035 336 Q CA -0.967 54.892 55.803 0.094 0.000 0.781 336 Q CB 1.737 30.509 28.738 0.057 0.000 1.261 336 Q HN 0.832 nan 8.270 nan 0.000 0.444 337 L N 3.495 124.784 121.223 0.109 0.000 2.418 337 L HA 0.730 5.070 4.340 0.001 0.000 0.265 337 L C 0.391 177.344 176.870 0.137 0.000 1.143 337 L CA 1.727 56.657 54.840 0.151 0.000 0.809 337 L CB 1.023 43.146 42.059 0.107 0.000 1.124 337 L HN 0.852 nan 8.230 nan 0.000 0.456 338 G N 3.246 112.188 108.800 0.236 0.000 2.796 338 G HA2 -0.273 3.688 3.960 0.001 0.000 0.226 338 G HA3 -0.273 3.688 3.960 0.001 0.000 0.226 338 G C -0.374 174.482 174.900 -0.073 0.000 1.381 338 G CA -0.006 45.215 45.100 0.201 0.000 0.867 338 G HN 0.992 nan 8.290 nan 0.000 0.552 339 R N 0.773 121.009 120.500 -0.439 0.000 2.502 339 R HA 0.318 4.659 4.340 0.001 0.000 0.292 339 R C -1.854 174.011 176.300 -0.724 0.000 0.998 339 R CA -0.516 54.855 56.100 -1.215 0.000 1.056 339 R CB -0.080 29.774 30.300 -0.743 0.000 0.939 339 R HN 0.354 nan 8.270 nan 0.000 0.411 340 P HA -0.056 nan 4.420 nan 0.000 0.264 340 P C -1.290 175.845 177.300 -0.275 0.000 1.183 340 P CA 0.405 63.252 63.100 -0.422 0.000 0.763 340 P CB 0.391 31.856 31.700 -0.392 0.000 0.807 341 N N 2.957 121.558 118.700 -0.166 0.000 2.558 341 N HA 0.259 4.999 4.740 0.001 0.000 0.285 341 N C -2.240 173.226 175.510 -0.073 0.000 1.112 341 N CA -1.824 51.158 53.050 -0.114 0.000 0.857 341 N CB 1.398 39.828 38.487 -0.096 0.000 1.376 341 N HN 0.103 nan 8.380 nan 0.000 0.526 342 P HA 0.134 nan 4.420 nan 0.000 0.249 342 P C 0.430 177.712 177.300 -0.030 0.000 1.229 342 P CA 0.239 63.314 63.100 -0.041 0.000 0.788 342 P CB 0.375 32.051 31.700 -0.041 0.000 1.072 343 A N -0.708 122.092 122.820 -0.034 0.000 2.218 343 A HA 0.082 4.402 4.320 0.001 0.000 0.209 343 A C 0.776 178.346 177.584 -0.022 0.000 1.168 343 A CA 0.355 52.377 52.037 -0.026 0.000 0.804 343 A CB -0.379 18.605 19.000 -0.027 0.000 0.834 343 A HN 0.145 nan 8.150 nan 0.000 0.482 344 N N 1.505 120.190 118.700 -0.025 0.000 2.617 344 N HA 0.284 5.024 4.740 0.001 0.000 0.263 344 N C -3.280 172.222 175.510 -0.013 0.000 1.074 344 N CA -0.945 52.093 53.050 -0.018 0.000 0.841 344 N CB 2.212 40.687 38.487 -0.021 0.000 1.221 344 N HN 0.144 nan 8.380 nan 0.000 0.529 345 P HA 0.328 nan 4.420 nan 0.000 0.282 345 P C -2.567 174.740 177.300 0.011 0.000 1.249 345 P CA -1.207 61.895 63.100 0.005 0.000 0.806 345 P CB 0.390 32.095 31.700 0.008 0.000 0.984 346 P HA 0.087 nan 4.420 nan 0.000 0.271 346 P C 0.880 178.197 177.300 0.028 0.000 1.216 346 P CA 0.014 63.133 63.100 0.032 0.000 0.776 346 P CB 1.228 32.965 31.700 0.060 0.000 0.881 347 E N 1.991 122.199 120.200 0.014 0.000 2.038 347 E HA -0.119 4.231 4.350 0.001 0.000 0.195 347 E C 0.097 176.717 176.600 0.034 0.000 1.000 347 E CA 0.933 57.339 56.400 0.010 0.000 0.803 347 E CB -0.034 29.657 29.700 -0.015 0.000 0.750 347 E HN 0.432 nan 8.360 nan 0.000 0.448 348 L N 1.037 122.286 121.223 0.045 0.000 2.325 348 L HA 0.299 4.640 4.340 0.001 0.000 0.278 348 L C -0.095 176.888 176.870 0.189 0.000 1.023 348 L CA -0.904 54.009 54.840 0.122 0.000 0.811 348 L CB 1.567 43.678 42.059 0.086 0.000 1.249 348 L HN 0.184 nan 8.230 nan 0.000 0.431 349 L N 2.497 123.851 121.223 0.218 0.000 3.760 349 L HA -0.204 4.136 4.340 0.001 0.000 0.604 349 L C -1.767 175.200 176.870 0.162 0.000 1.108 349 L CA -0.597 54.367 54.840 0.206 0.000 0.941 349 L CB -0.950 41.269 42.059 0.266 0.000 1.244 349 L HN 0.568 nan 8.230 nan 0.000 0.789 350 P HA -0.098 nan 4.420 nan 0.000 0.222 350 P C 1.299 178.685 177.300 0.144 0.000 1.147 350 P CA 1.108 64.274 63.100 0.110 0.000 0.790 350 P CB 0.315 32.062 31.700 0.079 0.000 0.780 351 S N -1.199 114.601 115.700 0.168 0.000 2.575 351 S HA 0.103 4.573 4.470 0.001 0.000 0.215 351 S C 0.606 175.350 174.600 0.241 0.000 0.966 351 S CA -0.362 57.979 58.200 0.235 0.000 0.911 351 S CB -0.583 62.731 63.200 0.191 0.000 0.780 351 S HN 0.035 nan 8.310 nan 0.000 0.514 352 L N 2.025 123.373 121.223 0.208 0.000 2.462 352 L HA 0.464 4.805 4.340 0.001 0.000 0.272 352 L C 1.140 178.146 176.870 0.227 0.000 1.166 352 L CA 1.123 56.091 54.840 0.215 0.000 0.880 352 L CB -0.063 42.116 42.059 0.200 0.000 1.142 352 L HN 0.309 nan 8.230 nan 0.000 0.473 353 G N 2.201 111.140 108.800 0.232 0.000 2.176 353 G HA2 -0.254 3.707 3.960 0.001 0.000 0.253 353 G HA3 -0.254 3.707 3.960 0.001 0.000 0.253 353 G C 0.418 175.440 174.900 0.202 0.000 0.979 353 G CA 0.244 45.477 45.100 0.223 0.000 0.641 353 G HN 0.775 nan 8.290 nan 0.000 0.530 354 S N -1.357 114.477 115.700 0.223 0.000 2.747 354 S HA 0.635 5.105 4.470 0.001 0.000 0.300 354 S C 0.334 175.128 174.600 0.324 0.000 1.121 354 S CA 0.016 58.325 58.200 0.181 0.000 0.995 354 S CB 0.738 63.998 63.200 0.101 0.000 1.113 354 S HN 0.927 nan 8.310 nan 0.000 0.547 355 Y N -0.636 119.729 120.300 0.108 0.000 3.491 355 Y HA -0.202 4.348 4.550 0.001 0.000 0.215 355 Y C 0.453 176.432 175.900 0.131 0.000 1.219 355 Y CA 0.128 58.291 58.100 0.106 0.000 1.485 355 Y CB -2.057 36.461 38.460 0.096 0.000 1.450 355 Y HN 0.554 nan 8.280 nan 0.000 0.603 356 I N -0.656 120.065 120.570 0.253 0.000 2.638 356 I HA 0.533 4.704 4.170 0.001 0.000 0.286 356 I C 0.662 176.935 176.117 0.259 0.000 1.088 356 I CA 0.106 61.552 61.300 0.244 0.000 1.397 356 I CB 1.477 39.621 38.000 0.240 0.000 1.414 356 I HN 0.213 nan 8.210 nan 0.000 0.566 357 T N 1.675 116.346 114.554 0.196 0.000 2.807 357 T HA 0.620 4.971 4.350 0.001 0.000 0.279 357 T C -0.574 174.148 174.700 0.037 0.000 0.993 357 T CA -0.656 61.536 62.100 0.154 0.000 0.970 357 T CB 1.876 70.786 68.868 0.071 0.000 0.950 357 T HN 0.795 nan 8.240 nan 0.000 0.441 358 E N 1.839 122.023 120.200 -0.025 0.000 2.288 358 E HA 0.393 4.743 4.350 0.001 0.000 0.268 358 E C -0.870 175.836 176.600 0.177 0.000 0.885 358 E CA -0.660 55.702 56.400 -0.064 0.000 0.767 358 E CB 1.911 31.387 29.700 -0.373 0.000 1.220 358 E HN 0.726 nan 8.360 nan 0.000 0.427 359 Q N 0.935 120.864 119.800 0.216 0.000 2.299 359 Q HA 0.444 4.784 4.340 0.001 0.000 0.246 359 Q C -0.445 175.776 176.000 0.369 0.000 0.935 359 Q CA -0.538 55.450 55.803 0.308 0.000 0.887 359 Q CB 1.359 30.298 28.738 0.335 0.000 1.223 359 Q HN 0.427 nan 8.270 nan 0.000 0.439 360 S N 1.473 117.322 115.700 0.248 0.000 2.549 360 S HA 0.275 4.745 4.470 0.001 0.000 0.283 360 S C -0.713 173.949 174.600 0.104 0.000 1.320 360 S CA -0.390 57.809 58.200 -0.003 0.000 1.058 360 S CB 0.240 63.350 63.200 -0.150 0.000 0.882 360 S HN 0.372 nan 8.310 nan 0.000 0.498 361 L N 5.518 126.766 121.223 0.041 0.000 2.381 361 L HA 0.744 5.084 4.340 0.001 0.000 0.274 361 L C -0.743 176.001 176.870 -0.210 0.000 0.988 361 L CA -0.642 54.133 54.840 -0.110 0.000 0.824 361 L CB 1.586 43.567 42.059 -0.131 0.000 1.263 361 L HN 0.445 nan 8.230 nan 0.000 0.410 362 V N 1.987 121.700 119.914 -0.335 0.000 2.815 362 V HA 0.744 4.865 4.120 0.001 0.000 0.314 362 V C -1.045 174.906 176.094 -0.237 0.000 1.064 362 V CA -0.698 61.322 62.300 -0.466 0.000 0.952 362 V CB 1.715 33.056 31.823 -0.804 0.000 1.020 362 V HN 0.818 nan 8.190 nan 0.000 0.439 363 F N 4.233 123.960 119.950 -0.371 0.000 2.596 363 F HA 0.829 5.356 4.527 0.001 0.000 0.311 363 F C -0.364 175.285 175.800 -0.252 0.000 1.116 363 F CA -0.293 57.564 58.000 -0.238 0.000 0.957 363 F CB 1.436 40.330 39.000 -0.176 0.000 1.250 363 F HN 1.195 nan 8.300 nan 0.000 0.444 364 C N 3.138 121.874 119.300 -0.940 0.000 3.323 364 C HA 0.841 5.301 4.460 0.001 0.000 0.324 364 C C -1.489 172.935 174.990 -0.943 0.000 1.428 364 C CA -0.618 57.813 59.018 -0.978 0.000 1.368 364 C CB 1.757 29.138 27.740 -0.599 0.000 1.731 364 C HN 0.936 nan 8.230 nan 0.000 0.455 365 Q N 0.444 119.925 119.800 -0.532 0.000 2.387 365 Q HA 0.791 5.131 4.340 0.001 0.000 0.273 365 Q C -0.555 175.468 176.000 0.039 0.000 1.089 365 Q CA -0.214 55.493 55.803 -0.160 0.000 0.824 365 Q CB 2.691 31.305 28.738 -0.207 0.000 1.367 365 Q HN 0.959 nan 8.270 nan 0.000 0.443 366 T N -2.718 111.936 114.554 0.167 0.000 2.906 366 T HA 0.668 5.018 4.350 0.001 0.000 0.295 366 T C -0.745 174.018 174.700 0.105 0.000 1.075 366 T CA -0.724 61.447 62.100 0.119 0.000 1.005 366 T CB 1.206 70.139 68.868 0.108 0.000 1.136 366 T HN 0.254 nan 8.240 nan 0.000 0.498 367 V N 2.843 122.785 119.914 0.048 0.000 2.347 367 V HA 0.390 4.511 4.120 0.001 0.000 0.280 367 V C 0.392 176.497 176.094 0.019 0.000 1.021 367 V CA -0.845 61.472 62.300 0.030 0.000 0.847 367 V CB 0.948 32.776 31.823 0.008 0.000 0.990 367 V HN 1.025 nan 8.190 nan 0.000 0.444 368 M N 5.047 124.665 119.600 0.031 0.000 2.261 368 M HA 0.048 4.529 4.480 0.001 0.000 0.350 368 M C 0.937 177.241 176.300 0.006 0.000 1.343 368 M CA 0.710 56.028 55.300 0.029 0.000 1.003 368 M CB 0.494 33.109 32.600 0.026 0.000 1.848 368 M HN 0.924 nan 8.290 nan 0.000 0.456 369 S N 2.689 118.390 115.700 0.001 0.000 2.558 369 S HA -0.005 4.466 4.470 0.001 0.000 0.287 369 S C 1.076 175.674 174.600 -0.005 0.000 1.321 369 S CA -0.026 58.166 58.200 -0.014 0.000 1.048 369 S CB 0.284 63.472 63.200 -0.020 0.000 0.844 369 S HN 0.824 nan 8.310 nan 0.000 0.512 370 T N 2.369 116.916 114.554 -0.011 0.000 2.624 370 T HA -0.211 4.140 4.350 0.001 0.000 0.268 370 T C 1.612 176.315 174.700 0.004 0.000 1.041 370 T CA 2.028 64.126 62.100 -0.004 0.000 1.159 370 T CB -0.707 68.155 68.868 -0.009 0.000 0.863 370 T HN 0.810 nan 8.240 nan 0.000 0.434 371 E N 0.476 120.676 120.200 -0.001 0.000 2.065 371 E HA -0.165 4.185 4.350 0.001 0.000 0.201 371 E C 2.268 178.882 176.600 0.023 0.000 1.016 371 E CA 1.295 57.698 56.400 0.005 0.000 0.818 371 E CB -0.365 29.331 29.700 -0.006 0.000 0.749 371 E HN 0.406 nan 8.360 nan 0.000 0.453 372 L N 0.563 121.803 121.223 0.027 0.000 2.046 372 L HA -0.218 4.122 4.340 0.001 0.000 0.208 372 L C 2.432 179.340 176.870 0.064 0.000 1.077 372 L CA 0.534 55.405 54.840 0.053 0.000 0.747 372 L CB -0.306 41.784 42.059 0.051 0.000 0.896 372 L HN 0.250 nan 8.230 nan 0.000 0.432 373 I N -0.023 120.570 120.570 0.038 0.000 2.264 373 I HA -0.290 3.880 4.170 0.001 0.000 0.248 373 I C 2.027 178.171 176.117 0.044 0.000 1.111 373 I CA 1.550 62.868 61.300 0.030 0.000 1.382 373 I CB -1.078 36.928 38.000 0.010 0.000 1.060 373 I HN 0.291 nan 8.210 nan 0.000 0.418 374 D N 0.136 120.562 120.400 0.043 0.000 2.224 374 D HA -0.088 4.552 4.640 0.001 0.000 0.205 374 D C 2.358 178.700 176.300 0.071 0.000 0.965 374 D CA 1.278 55.307 54.000 0.047 0.000 0.852 374 D CB -0.015 40.804 40.800 0.032 0.000 0.947 374 D HN 0.357 nan 8.370 nan 0.000 0.494 375 S N 0.003 115.756 115.700 0.089 0.000 2.399 375 S HA -0.122 4.348 4.470 0.001 0.000 0.231 375 S C 2.160 176.897 174.600 0.229 0.000 1.022 375 S CA 0.738 59.022 58.200 0.141 0.000 0.983 375 S CB -0.607 62.678 63.200 0.140 0.000 0.803 375 S HN 0.075 nan 8.310 nan 0.000 0.480 376 V N 2.981 123.014 119.914 0.198 0.000 2.380 376 V HA -0.179 3.942 4.120 0.001 0.000 0.251 376 V C 2.095 178.313 176.094 0.206 0.000 1.063 376 V CA 2.184 64.632 62.300 0.248 0.000 1.055 376 V CB -0.892 30.995 31.823 0.107 0.000 0.657 376 V HN 0.834 nan 8.190 nan 0.000 0.455 377 K N 0.157 120.632 120.400 0.125 0.000 2.593 377 K HA 0.214 4.535 4.320 0.001 0.000 0.208 377 K C 1.392 178.038 176.600 0.076 0.000 1.051 377 K CA 0.647 56.989 56.287 0.092 0.000 1.111 377 K CB 0.275 32.818 32.500 0.072 0.000 0.849 377 K HN 0.371 nan 8.250 nan 0.000 0.479 378 S N 0.286 116.042 115.700 0.094 0.000 2.500 378 S HA -0.127 4.343 4.470 0.001 0.000 0.239 378 S C 0.725 175.340 174.600 0.026 0.000 0.989 378 S CA 1.039 59.271 58.200 0.053 0.000 0.951 378 S CB -0.175 63.047 63.200 0.037 0.000 0.759 378 S HN 0.305 nan 8.310 nan 0.000 0.523 379 D N 0.519 120.939 120.400 0.033 0.000 2.407 379 D HA 0.235 4.875 4.640 0.001 0.000 0.208 379 D C 0.173 176.511 176.300 0.064 0.000 1.083 379 D CA 0.215 54.228 54.000 0.022 0.000 0.844 379 D CB 0.136 40.927 40.800 -0.015 0.000 0.967 379 D HN 0.407 nan 8.370 nan 0.000 0.506 380 M N 1.141 120.776 119.600 0.059 0.000 2.216 380 M HA 0.230 4.710 4.480 0.001 0.000 0.356 380 M C 0.380 176.708 176.300 0.046 0.000 1.205 380 M CA -0.159 55.187 55.300 0.077 0.000 1.122 380 M CB 0.690 33.326 32.600 0.060 0.000 1.571 380 M HN -0.198 nan 8.290 nan 0.000 0.464 381 T N 1.205 115.781 114.554 0.036 0.000 2.749 381 T HA 0.780 5.130 4.350 0.001 0.000 0.287 381 T C -0.155 174.530 174.700 -0.026 0.000 0.970 381 T CA -0.615 61.488 62.100 0.007 0.000 0.980 381 T CB 0.642 69.511 68.868 0.002 0.000 0.924 381 T HN 0.576 nan 8.240 nan 0.000 0.456 382 I N 3.461 124.015 120.570 -0.027 0.000 2.448 382 I HA 0.401 4.571 4.170 0.001 0.000 0.281 382 I C 0.076 176.176 176.117 -0.028 0.000 1.027 382 I CA -0.870 60.391 61.300 -0.065 0.000 1.111 382 I CB 1.353 39.347 38.000 -0.009 0.000 1.236 382 I HN 0.507 nan 8.210 nan 0.000 0.452 383 R N 3.978 124.444 120.500 -0.056 0.000 2.732 383 R HA 0.897 5.237 4.340 0.001 0.000 0.278 383 R C 0.300 176.634 176.300 0.057 0.000 0.976 383 R CA -0.661 55.442 56.100 0.005 0.000 0.963 383 R CB 1.993 32.289 30.300 -0.006 0.000 1.150 383 R HN 0.783 nan 8.270 nan 0.000 0.478 384 G N 0.264 109.138 108.800 0.124 0.000 2.378 384 G HA2 -0.120 3.841 3.960 0.001 0.000 0.198 384 G HA3 -0.120 3.841 3.960 0.001 0.000 0.198 384 G C -1.226 173.818 174.900 0.240 0.000 1.223 384 G CA -0.584 44.634 45.100 0.197 0.000 1.088 384 G HN 0.624 nan 8.290 nan 0.000 0.530 385 T N 1.482 116.169 114.554 0.222 0.000 3.335 385 T HA 0.592 4.943 4.350 0.001 0.000 0.321 385 T C -3.034 171.505 174.700 -0.267 0.000 0.960 385 T CA -0.625 61.471 62.100 -0.007 0.000 1.034 385 T CB 2.409 71.272 68.868 -0.008 0.000 1.040 385 T HN 0.539 nan 8.240 nan 0.000 0.454 386 P HA 0.178 nan 4.420 nan 0.000 0.263 386 P C 1.238 178.313 177.300 -0.375 0.000 1.162 386 P CA 1.599 64.119 63.100 -0.966 0.000 0.758 386 P CB 0.145 31.421 31.700 -0.707 0.000 0.773 387 G N 1.401 110.055 108.800 -0.243 0.000 2.234 387 G HA2 -0.207 3.753 3.960 0.001 0.000 0.235 387 G HA3 -0.207 3.753 3.960 0.001 0.000 0.235 387 G C 0.189 175.061 174.900 -0.046 0.000 0.997 387 G CA -0.189 44.848 45.100 -0.104 0.000 0.623 387 G HN 0.547 nan 8.290 nan 0.000 0.514 388 E N -0.301 119.880 120.200 -0.031 0.000 2.302 388 E HA 0.604 4.954 4.350 0.001 0.000 0.255 388 E C 1.334 177.965 176.600 0.052 0.000 1.099 388 E CA -0.935 55.473 56.400 0.015 0.000 0.929 388 E CB 0.582 30.296 29.700 0.024 0.000 1.203 388 E HN -0.016 nan 8.360 nan 0.000 0.459 389 L N 0.153 121.403 121.223 0.045 0.000 2.068 389 L HA -0.095 4.245 4.340 0.001 0.000 0.204 389 L C 2.386 179.296 176.870 0.066 0.000 1.076 389 L CA 1.780 56.648 54.840 0.047 0.000 0.753 389 L CB -2.141 39.935 42.059 0.029 0.000 0.910 389 L HN 0.668 nan 8.230 nan 0.000 0.439 390 T N -3.452 111.144 114.554 0.070 0.000 3.098 390 T HA -0.179 4.171 4.350 0.001 0.000 0.266 390 T C 0.781 175.548 174.700 0.113 0.000 1.145 390 T CA -0.053 62.090 62.100 0.071 0.000 1.092 390 T CB -0.776 68.128 68.868 0.059 0.000 0.908 390 T HN 0.088 nan 8.240 nan 0.000 0.526 391 Y N 2.821 123.122 120.300 0.002 0.000 2.544 391 Y HA 0.406 4.957 4.550 0.001 0.000 0.330 391 Y C 0.239 176.143 175.900 0.006 0.000 1.136 391 Y CA -0.934 57.168 58.100 0.004 0.000 1.417 391 Y CB 0.258 38.719 38.460 0.002 0.000 1.229 391 Y HN 0.160 nan 8.280 nan 0.000 0.532 392 S N 5.392 120.859 115.700 -0.389 0.000 2.594 392 S HA 0.741 5.212 4.470 0.001 0.000 0.296 392 S C -1.895 172.428 174.600 -0.462 0.000 1.124 392 S CA -0.671 57.328 58.200 -0.335 0.000 1.011 392 S CB 0.747 63.860 63.200 -0.144 0.000 1.016 392 S HN 0.442 nan 8.310 nan 0.000 0.485 393 V N 4.795 124.500 119.914 -0.349 0.000 2.444 393 V HA 0.738 4.858 4.120 0.001 0.000 0.294 393 V C -0.035 176.028 176.094 -0.052 0.000 1.022 393 V CA -0.440 61.739 62.300 -0.202 0.000 0.850 393 V CB 1.453 33.172 31.823 -0.174 0.000 0.992 393 V HN 1.046 nan 8.190 nan 0.000 0.426 394 T N 1.735 116.287 114.554 -0.002 0.000 2.883 394 T HA 0.856 5.207 4.350 0.001 0.000 0.301 394 T C -1.156 173.624 174.700 0.134 0.000 1.158 394 T CA -0.811 61.312 62.100 0.039 0.000 1.007 394 T CB 2.265 71.106 68.868 -0.045 0.000 1.186 394 T HN 0.888 nan 8.240 nan 0.000 0.499 395 Y N -1.602 118.687 120.300 -0.018 0.000 2.544 395 Y HA 0.688 5.238 4.550 0.001 0.000 0.342 395 Y C -0.584 175.308 175.900 -0.013 0.000 1.062 395 Y CA -1.310 56.781 58.100 -0.015 0.000 1.023 395 Y CB 0.864 39.321 38.460 -0.006 0.000 1.308 395 Y HN 0.839 nan 8.280 nan 0.000 0.457 396 T N 2.545 117.060 114.554 -0.064 0.000 2.727 396 T HA 0.444 4.794 4.350 0.001 0.000 0.298 396 T C -2.752 171.932 174.700 -0.027 0.000 0.942 396 T CA -1.796 60.226 62.100 -0.130 0.000 0.997 396 T CB 0.567 69.404 68.868 -0.052 0.000 0.917 396 T HN 0.434 nan 8.240 nan 0.000 0.487 397 P HA 0.218 nan 4.420 nan 0.000 0.267 397 P C 1.257 178.603 177.300 0.077 0.000 1.200 397 P CA 0.629 63.788 63.100 0.098 0.000 0.772 397 P CB 0.125 31.837 31.700 0.020 0.000 0.855 398 G N 1.188 110.047 108.800 0.099 0.000 2.212 398 G HA2 -0.232 3.728 3.960 0.001 0.000 0.267 398 G HA3 -0.232 3.728 3.960 0.001 0.000 0.267 398 G C 0.528 175.443 174.900 0.025 0.000 1.002 398 G CA 0.209 45.339 45.100 0.049 0.000 0.729 398 G HN 0.871 nan 8.290 nan 0.000 0.517 399 A N 0.124 122.960 122.820 0.027 0.000 2.483 399 A HA 0.643 4.963 4.320 0.001 0.000 0.238 399 A C 1.877 179.455 177.584 -0.009 0.000 1.070 399 A CA 1.190 53.231 52.037 0.006 0.000 0.770 399 A CB 0.277 19.282 19.000 0.009 0.000 1.008 399 A HN 1.742 nan 8.150 nan 0.000 0.497 400 S N 0.946 116.636 115.700 -0.015 0.000 2.400 400 S HA -0.197 4.274 4.470 0.001 0.000 0.232 400 S C 1.508 176.083 174.600 -0.041 0.000 1.025 400 S CA 2.092 60.276 58.200 -0.025 0.000 0.993 400 S CB -0.804 62.383 63.200 -0.021 0.000 0.808 400 S HN 1.462 nan 8.310 nan 0.000 0.478 401 T N -1.199 113.330 114.554 -0.040 0.000 3.060 401 T HA 0.242 4.593 4.350 0.001 0.000 0.249 401 T C 0.354 175.008 174.700 -0.077 0.000 1.079 401 T CA -0.491 61.576 62.100 -0.055 0.000 1.013 401 T CB -0.644 68.199 68.868 -0.042 0.000 0.975 401 T HN 0.201 nan 8.240 nan 0.000 0.518 402 N N 2.603 121.262 118.700 -0.069 0.000 2.359 402 N HA 0.119 4.859 4.740 0.001 0.000 0.261 402 N C 0.734 176.123 175.510 -0.202 0.000 1.267 402 N CA 0.079 53.066 53.050 -0.105 0.000 0.864 402 N CB 0.995 39.443 38.487 -0.064 0.000 1.063 402 N HN 0.182 nan 8.380 nan 0.000 0.474 403 K N 1.363 121.572 120.400 -0.318 0.000 2.432 403 K HA 0.083 4.403 4.320 0.001 0.000 0.196 403 K C -0.109 175.970 176.600 -0.868 0.000 1.038 403 K CA 0.888 56.839 56.287 -0.560 0.000 0.986 403 K CB 0.073 32.153 32.500 -0.699 0.000 0.782 403 K HN 0.547 nan 8.250 nan 0.000 0.485 404 H N -1.442 117.339 119.070 -0.482 0.000 2.894 404 H HA 0.352 4.909 4.556 0.001 0.000 0.368 404 H C -2.439 172.572 175.328 -0.528 0.000 1.181 404 H CA -2.560 53.046 56.048 -0.737 0.000 1.146 404 H CB 1.394 30.371 29.762 -1.309 0.000 1.839 404 H HN -0.230 nan 8.280 nan 0.000 0.557 405 P HA 0.045 nan 4.420 nan 0.000 0.274 405 P C 0.411 177.493 177.300 -0.365 0.000 1.246 405 P CA -0.202 62.681 63.100 -0.361 0.000 0.795 405 P CB 1.081 32.462 31.700 -0.532 0.000 1.006 406 D N -0.073 120.244 120.400 -0.138 0.000 2.178 406 D HA -0.112 4.528 4.640 0.001 0.000 0.202 406 D C 1.751 178.056 176.300 0.008 0.000 0.974 406 D CA 1.117 55.118 54.000 0.003 0.000 0.841 406 D CB -0.368 40.530 40.800 0.163 0.000 0.953 406 D HN 0.581 nan 8.370 nan 0.000 0.478 407 W N 0.038 121.404 121.300 0.109 0.000 2.388 407 W HA -0.109 4.551 4.660 0.001 0.000 0.294 407 W C 1.967 178.555 176.519 0.116 0.000 1.212 407 W CA 0.019 57.425 57.345 0.103 0.000 1.271 407 W CB -1.451 28.064 29.460 0.092 0.000 1.126 407 W HN 0.031 nan 8.180 nan 0.000 0.535 408 W N 3.697 124.505 121.300 -0.821 0.000 2.329 408 W HA -0.228 4.432 4.660 0.001 0.000 0.324 408 W C 1.937 178.197 176.519 -0.431 0.000 1.222 408 W CA 2.051 58.965 57.345 -0.717 0.000 1.270 408 W CB -1.116 27.697 29.460 -1.077 0.000 1.167 408 W HN -0.092 nan 8.180 nan 0.000 0.467 409 N N 0.884 119.505 118.700 -0.131 0.000 2.149 409 N HA -0.221 4.519 4.740 0.001 0.000 0.188 409 N C 1.505 176.749 175.510 -0.444 0.000 1.019 409 N CA 2.054 54.834 53.050 -0.449 0.000 0.857 409 N CB -0.701 37.117 38.487 -1.116 0.000 0.997 409 N HN 0.275 nan 8.380 nan 0.000 0.426 410 E N 1.523 121.586 120.200 -0.228 0.000 2.051 410 E HA -0.079 4.271 4.350 0.001 0.000 0.192 410 E C 1.609 178.260 176.600 0.086 0.000 0.991 410 E CA 1.354 57.801 56.400 0.079 0.000 0.799 410 E CB -0.013 29.805 29.700 0.197 0.000 0.748 410 E HN 0.264 nan 8.360 nan 0.000 0.449 411 K N -0.336 120.109 120.400 0.075 0.000 2.074 411 K HA -0.137 4.183 4.320 0.001 0.000 0.209 411 K C 2.139 178.756 176.600 0.029 0.000 1.048 411 K CA 1.599 57.920 56.287 0.057 0.000 0.926 411 K CB -0.223 32.296 32.500 0.032 0.000 0.713 411 K HN 0.056 nan 8.250 nan 0.000 0.444 412 V N 1.707 121.608 119.914 -0.021 0.000 2.307 412 V HA -0.235 3.885 4.120 0.001 0.000 0.245 412 V C 2.375 178.515 176.094 0.076 0.000 1.045 412 V CA 1.566 63.865 62.300 -0.000 0.000 1.024 412 V CB -0.457 31.358 31.823 -0.012 0.000 0.651 412 V HN 0.329 nan 8.190 nan 0.000 0.449 413 K N 0.489 120.928 120.400 0.066 0.000 2.015 413 K HA -0.290 4.030 4.320 0.001 0.000 0.216 413 K C 2.054 178.719 176.600 0.108 0.000 1.052 413 K CA 2.345 58.697 56.287 0.109 0.000 0.937 413 K CB -0.268 32.352 32.500 0.200 0.000 0.719 413 K HN 0.439 nan 8.250 nan 0.000 0.446 414 N N -0.001 118.771 118.700 0.120 0.000 2.166 414 N HA -0.173 4.567 4.740 0.001 0.000 0.186 414 N C 1.744 177.334 175.510 0.134 0.000 1.019 414 N CA 1.466 54.586 53.050 0.116 0.000 0.856 414 N CB -0.642 37.919 38.487 0.123 0.000 0.993 414 N HN 0.443 nan 8.380 nan 0.000 0.426 415 H N 0.380 119.493 119.070 0.073 0.000 2.357 415 H HA 0.131 4.688 4.556 0.001 0.000 0.301 415 H C 1.963 177.352 175.328 0.101 0.000 1.082 415 H CA 1.554 57.653 56.048 0.085 0.000 1.342 415 H CB -0.031 29.690 29.762 -0.067 0.000 1.389 415 H HN 0.092 nan 8.280 nan 0.000 0.511 416 M N -0.784 118.845 119.600 0.048 0.000 2.296 416 M HA -0.115 4.365 4.480 0.001 0.000 0.265 416 M C 1.609 177.968 176.300 0.098 0.000 1.064 416 M CA 1.000 56.336 55.300 0.060 0.000 1.109 416 M CB 0.120 32.804 32.600 0.140 0.000 1.396 416 M HN 0.369 nan 8.290 nan 0.000 0.430 417 M N -0.578 119.063 119.600 0.067 0.000 2.325 417 M HA -0.053 4.428 4.480 0.001 0.000 0.265 417 M C 1.856 178.166 176.300 0.018 0.000 1.094 417 M CA 1.540 56.888 55.300 0.080 0.000 1.161 417 M CB -0.864 31.760 32.600 0.041 0.000 1.358 417 M HN 0.271 nan 8.290 nan 0.000 0.446 418 Q N -0.651 119.122 119.800 -0.044 0.000 2.311 418 Q HA -0.043 4.297 4.340 0.001 0.000 0.203 418 Q C -0.004 175.741 176.000 -0.425 0.000 0.954 418 Q CA 0.740 56.427 55.803 -0.194 0.000 0.885 418 Q CB 0.282 28.917 28.738 -0.171 0.000 0.963 418 Q HN 0.540 nan 8.270 nan 0.000 0.471 419 H N 0.021 119.003 119.070 -0.147 0.000 2.448 419 H HA 0.184 4.740 4.556 0.001 0.000 0.237 419 H C 0.028 175.278 175.328 -0.130 0.000 1.391 419 H CA -0.104 55.866 56.048 -0.131 0.000 1.477 419 H CB 0.652 30.307 29.762 -0.177 0.000 1.520 419 H HN 0.250 nan 8.280 nan 0.000 0.502 420 Q N 0.764 120.565 119.800 0.001 0.000 2.369 420 Q HA -0.109 4.232 4.340 0.001 0.000 0.206 420 Q C 1.884 177.847 176.000 -0.062 0.000 0.963 420 Q CA 0.778 56.551 55.803 -0.050 0.000 0.894 420 Q CB 0.429 29.105 28.738 -0.103 0.000 0.965 420 Q HN 0.545 nan 8.270 nan 0.000 0.475 421 E N 1.425 121.627 120.200 0.003 0.000 2.358 421 E HA -0.124 4.226 4.350 0.001 0.000 0.195 421 E C -0.187 176.443 176.600 0.050 0.000 1.010 421 E CA 0.594 57.005 56.400 0.018 0.000 0.856 421 E CB -0.092 29.634 29.700 0.044 0.000 0.795 421 E HN 0.167 nan 8.360 nan 0.000 0.504 422 D N 2.076 122.523 120.400 0.079 0.000 2.304 422 D HA 0.097 4.737 4.640 0.001 0.000 0.250 422 D C -1.676 174.658 176.300 0.058 0.000 1.107 422 D CA -1.971 52.092 54.000 0.104 0.000 0.885 422 D CB 1.453 42.319 40.800 0.110 0.000 1.192 422 D HN -0.115 nan 8.370 nan 0.000 0.436 423 P HA 0.176 nan 4.420 nan 0.000 0.261 423 P C -0.525 176.796 177.300 0.036 0.000 1.352 423 P CA 0.062 63.184 63.100 0.036 0.000 0.891 423 P CB 0.262 31.977 31.700 0.025 0.000 1.383 424 L N 1.464 122.711 121.223 0.040 0.000 2.354 424 L HA 0.438 4.779 4.340 0.001 0.000 0.269 424 L C -1.648 175.228 176.870 0.011 0.000 1.005 424 L CA -2.218 52.621 54.840 -0.001 0.000 0.819 424 L CB 3.115 45.138 42.059 -0.060 0.000 1.311 424 L HN -0.349 nan 8.230 nan 0.000 0.423 425 P HA 0.124 nan 4.420 nan 0.000 0.257 425 P C 0.240 177.396 177.300 -0.240 0.000 1.241 425 P CA 0.412 63.493 63.100 -0.033 0.000 0.816 425 P CB 0.630 32.325 31.700 -0.010 0.000 1.150 426 I N 2.469 122.811 120.570 -0.381 0.000 2.416 426 I HA 0.200 4.370 4.170 0.001 0.000 0.288 426 I C -2.161 173.462 176.117 -0.823 0.000 1.051 426 I CA -2.578 58.437 61.300 -0.475 0.000 1.375 426 I CB 0.603 38.412 38.000 -0.319 0.000 1.407 426 I HN -0.213 nan 8.210 nan 0.000 0.516 427 P HA 0.047 nan 4.420 nan 0.000 0.268 427 P C 0.276 177.352 177.300 -0.373 0.000 1.205 427 P CA -0.103 62.641 63.100 -0.593 0.000 0.771 427 P CB 0.350 31.926 31.700 -0.206 0.000 0.858 428 F N 0.904 120.718 119.950 -0.227 0.000 2.250 428 F HA -0.135 4.393 4.527 0.001 0.000 0.301 428 F C 1.837 177.598 175.800 -0.066 0.000 1.077 428 F CA 1.572 59.497 58.000 -0.124 0.000 1.348 428 F CB -0.682 38.261 39.000 -0.095 0.000 1.040 428 F HN 0.428 nan 8.300 nan 0.000 0.509 429 E N -0.599 119.678 120.200 0.128 0.000 2.481 429 E HA -0.022 4.328 4.350 0.001 0.000 0.198 429 E C -0.055 176.568 176.600 0.039 0.000 1.027 429 E CA -0.220 56.234 56.400 0.089 0.000 0.900 429 E CB -0.056 29.698 29.700 0.090 0.000 0.993 429 E HN 0.184 nan 8.360 nan 0.000 0.482 430 D N 2.374 122.773 120.400 -0.002 0.000 2.533 430 D HA -0.007 4.633 4.640 0.001 0.000 0.236 430 D C -2.299 174.018 176.300 0.029 0.000 1.137 430 D CA -1.006 52.981 54.000 -0.022 0.000 0.867 430 D CB 0.790 41.538 40.800 -0.087 0.000 1.170 430 D HN -0.116 nan 8.370 nan 0.000 0.474 431 P HA 0.104 nan 4.420 nan 0.000 0.275 431 P C -0.504 176.916 177.300 0.200 0.000 1.266 431 P CA -0.444 62.738 63.100 0.138 0.000 0.793 431 P CB 0.375 32.144 31.700 0.115 0.000 1.074 432 E N 1.129 121.493 120.200 0.273 0.000 2.374 432 E HA 0.208 4.559 4.350 0.001 0.000 0.260 432 E C -2.342 174.350 176.600 0.153 0.000 1.101 432 E CA -2.042 54.457 56.400 0.164 0.000 0.907 432 E CB -0.968 28.793 29.700 0.102 0.000 1.014 432 E HN 0.272 nan 8.360 nan 0.000 0.427 433 P HA 0.025 nan 4.420 nan 0.000 0.271 433 P C -0.477 176.849 177.300 0.042 0.000 1.218 433 P CA 0.061 63.237 63.100 0.127 0.000 0.780 433 P CB 0.501 32.205 31.700 0.008 0.000 0.901 434 Q N 1.301 121.217 119.800 0.194 0.000 3.662 434 Q HA 0.321 4.661 4.340 0.001 0.000 0.237 434 Q C -0.958 175.118 176.000 0.126 0.000 0.895 434 Q CA -0.350 55.441 55.803 -0.020 0.000 0.767 434 Q CB 1.333 29.823 28.738 -0.414 0.000 1.469 434 Q HN 0.208 nan 8.270 nan 0.000 0.424 435 V N 0.465 120.392 119.914 0.021 0.000 2.815 435 V HA 0.782 4.903 4.120 0.001 0.000 0.314 435 V C 0.084 176.173 176.094 -0.008 0.000 1.064 435 V CA -0.461 61.845 62.300 0.011 0.000 0.952 435 V CB 2.177 33.946 31.823 -0.089 0.000 1.020 435 V HN 0.491 nan 8.190 nan 0.000 0.439 436 T N 1.298 115.890 114.554 0.062 0.000 2.889 436 T HA 0.515 4.865 4.350 0.001 0.000 0.315 436 T C -1.164 173.494 174.700 -0.070 0.000 1.291 436 T CA -0.293 61.794 62.100 -0.021 0.000 1.028 436 T CB 1.938 70.786 68.868 -0.033 0.000 1.235 436 T HN 0.861 nan 8.240 nan 0.000 0.491 437 T N 3.902 118.269 114.554 -0.313 0.000 2.809 437 T HA 0.651 5.001 4.350 0.001 0.000 0.284 437 T C -0.302 174.260 174.700 -0.230 0.000 0.992 437 T CA -0.589 61.167 62.100 -0.574 0.000 0.957 437 T CB 0.117 68.206 68.868 -1.298 0.000 0.942 437 T HN 0.528 nan 8.240 nan 0.000 0.439 438 L N 4.100 125.265 121.223 -0.097 0.000 2.464 438 L HA 0.444 4.784 4.340 0.001 0.000 0.264 438 L C 0.666 177.531 176.870 -0.009 0.000 1.199 438 L CA -0.965 53.893 54.840 0.029 0.000 0.818 438 L CB 0.190 42.262 42.059 0.021 0.000 1.102 438 L HN 0.613 nan 8.230 nan 0.000 0.473 439 F N 2.442 122.307 119.950 -0.141 0.000 2.579 439 F HA -0.081 4.446 4.527 0.001 0.000 0.397 439 F C 0.275 175.801 175.800 -0.456 0.000 1.027 439 F CA 0.655 58.475 58.000 -0.301 0.000 1.217 439 F CB 0.033 38.913 39.000 -0.200 0.000 0.986 439 F HN 0.385 nan 8.300 nan 0.000 0.551 440 Q N 6.786 126.159 119.800 -0.712 0.000 2.501 440 Q HA 0.293 4.633 4.340 0.001 0.000 0.288 440 Q C -1.970 173.671 176.000 -0.599 0.000 1.051 440 Q CA -1.807 53.650 55.803 -0.578 0.000 0.788 440 Q CB 1.449 29.693 28.738 -0.824 0.000 1.469 440 Q HN 0.209 nan 8.270 nan 0.000 0.416 441 P HA -0.146 nan 4.420 nan 0.000 0.218 441 P C 1.079 178.196 177.300 -0.306 0.000 1.148 441 P CA 1.732 64.698 63.100 -0.224 0.000 0.822 441 P CB 0.275 31.916 31.700 -0.099 0.000 0.784 442 S N -1.351 114.176 115.700 -0.289 0.000 2.527 442 S HA -0.091 4.379 4.470 0.001 0.000 0.222 442 S C 0.582 175.033 174.600 -0.247 0.000 0.985 442 S CA 0.062 58.160 58.200 -0.170 0.000 0.921 442 S CB -1.299 61.890 63.200 -0.018 0.000 0.772 442 S HN 0.429 nan 8.310 nan 0.000 0.529 443 H N -1.386 117.287 119.070 -0.661 0.000 2.490 443 H HA 0.522 5.078 4.556 0.001 0.000 0.230 443 H C -3.298 170.869 175.328 -1.935 0.000 1.417 443 H CA -2.044 53.224 56.048 -1.300 0.000 1.449 443 H CB 0.336 29.591 29.762 -0.844 0.000 1.649 443 H HN 0.079 nan 8.280 nan 0.000 0.519 444 P HA 0.061 nan 4.420 nan 0.000 0.232 444 P C -1.230 175.335 177.300 -1.224 0.000 1.738 444 P CA 0.253 62.236 63.100 -1.862 0.000 0.948 444 P CB -1.099 30.130 31.700 -0.785 0.000 1.943 445 W N -0.926 119.951 121.300 -0.706 0.000 3.167 445 W HA 0.536 5.196 4.660 0.001 0.000 0.324 445 W C -0.607 175.947 176.519 0.059 0.000 1.230 445 W CA -1.298 55.990 57.345 -0.094 0.000 1.184 445 W CB 0.094 29.575 29.460 0.035 0.000 1.414 445 W HN -0.041 nan 8.180 nan 0.000 0.551 446 H N 1.012 120.329 119.070 0.412 0.000 2.547 446 H HA 0.670 5.227 4.556 0.001 0.000 0.362 446 H C -0.116 175.360 175.328 0.245 0.000 1.181 446 H CA 0.634 56.832 56.048 0.250 0.000 1.376 446 H CB 1.407 31.248 29.762 0.132 0.000 1.488 446 H HN 0.592 nan 8.280 nan 0.000 0.583 447 T N 1.815 115.980 114.554 -0.649 0.000 2.909 447 T HA 0.541 4.892 4.350 0.001 0.000 0.299 447 T C -0.997 173.354 174.700 -0.581 0.000 1.073 447 T CA -1.095 60.656 62.100 -0.582 0.000 0.999 447 T CB 1.706 70.126 68.868 -0.746 0.000 1.098 447 T HN 0.671 nan 8.240 nan 0.000 0.477 448 Q N 1.723 121.406 119.800 -0.194 0.000 2.289 448 Q HA 0.561 4.902 4.340 0.001 0.000 0.270 448 Q C -1.296 174.616 176.000 -0.148 0.000 1.038 448 Q CA -0.691 54.943 55.803 -0.282 0.000 0.812 448 Q CB 2.845 31.301 28.738 -0.470 0.000 1.300 448 Q HN 0.731 nan 8.270 nan 0.000 0.427 449 I N 3.477 123.923 120.570 -0.206 0.000 2.563 449 I HA 0.348 4.519 4.170 0.001 0.000 0.276 449 I C -0.576 175.451 176.117 -0.151 0.000 1.074 449 I CA -0.264 60.815 61.300 -0.368 0.000 1.124 449 I CB 0.482 38.163 38.000 -0.532 0.000 1.225 449 I HN 0.776 nan 8.210 nan 0.000 0.482 450 H N 3.424 122.302 119.070 -0.321 0.000 3.001 450 H HA 0.634 5.191 4.556 0.001 0.000 0.266 450 H C -1.144 174.101 175.328 -0.137 0.000 1.532 450 H CA -1.335 54.599 56.048 -0.190 0.000 1.187 450 H CB 1.353 31.027 29.762 -0.147 0.000 1.881 450 H HN 0.063 nan 8.280 nan 0.000 0.643 451 R N 1.307 121.622 120.500 -0.310 0.000 2.435 451 R HA 0.294 4.635 4.340 0.001 0.000 0.308 451 R C -1.351 174.756 176.300 -0.321 0.000 0.975 451 R CA -0.732 55.185 56.100 -0.304 0.000 0.867 451 R CB 1.431 31.691 30.300 -0.067 0.000 1.171 451 R HN 0.665 nan 8.270 nan 0.000 0.470 452 D N 1.181 121.343 120.400 -0.397 0.000 2.340 452 D HA 0.376 5.017 4.640 0.001 0.000 0.251 452 D C -0.269 175.997 176.300 -0.057 0.000 1.080 452 D CA -0.433 53.459 54.000 -0.180 0.000 0.971 452 D CB 1.502 42.235 40.800 -0.112 0.000 1.137 452 D HN 0.521 nan 8.370 nan 0.000 0.475 453 A N 1.819 124.628 122.820 -0.017 0.000 2.522 453 A HA 0.242 4.562 4.320 0.001 0.000 0.256 453 A C -0.620 176.962 177.584 -0.004 0.000 1.086 453 A CA 0.319 52.372 52.037 0.027 0.000 0.763 453 A CB -0.531 18.526 19.000 0.094 0.000 1.024 453 A HN 0.393 nan 8.150 nan 0.000 0.502 454 F N 2.628 122.394 119.950 -0.307 0.000 2.532 454 F HA 0.556 5.084 4.527 0.001 0.000 0.321 454 F C 0.472 175.843 175.800 -0.715 0.000 1.089 454 F CA -0.438 57.228 58.000 -0.557 0.000 0.926 454 F CB 2.170 40.678 39.000 -0.819 0.000 1.168 454 F HN 0.548 nan 8.300 nan 0.000 0.459 455 S N 4.545 119.507 115.700 -1.230 0.000 2.429 455 S HA 0.446 4.917 4.470 0.001 0.000 0.302 455 S C -1.164 172.939 174.600 -0.827 0.000 1.115 455 S CA -0.526 57.186 58.200 -0.813 0.000 1.095 455 S CB 0.077 62.970 63.200 -0.511 0.000 0.987 455 S HN 0.576 nan 8.310 nan 0.000 0.474 456 W N 2.621 123.846 121.300 -0.125 0.000 2.261 456 W HA 0.553 5.213 4.660 0.001 0.000 0.323 456 W C 1.240 177.763 176.519 0.008 0.000 1.243 456 W CA -0.476 56.890 57.345 0.035 0.000 1.210 456 W CB 0.602 30.129 29.460 0.111 0.000 1.149 456 W HN 1.000 nan 8.180 nan 0.000 0.562 457 G N 0.671 109.680 108.800 0.349 0.000 2.636 457 G HA2 0.316 4.276 3.960 0.001 0.000 0.246 457 G HA3 0.316 4.276 3.960 0.001 0.000 0.246 457 G C 0.824 175.847 174.900 0.204 0.000 1.216 457 G CA -0.032 45.198 45.100 0.216 0.000 0.854 457 G HN 0.743 nan 8.290 nan 0.000 0.572 458 A N 0.435 123.329 122.820 0.124 0.000 1.898 458 A HA -0.008 4.312 4.320 0.001 0.000 0.216 458 A C 2.604 180.234 177.584 0.076 0.000 1.181 458 A CA 1.793 53.884 52.037 0.089 0.000 0.620 458 A CB -0.696 18.340 19.000 0.059 0.000 0.819 458 A HN 0.608 nan 8.150 nan 0.000 0.442 459 V N 0.438 120.401 119.914 0.082 0.000 2.278 459 V HA -0.386 3.734 4.120 0.001 0.000 0.251 459 V C 2.681 178.815 176.094 0.066 0.000 1.062 459 V CA 2.531 64.872 62.300 0.068 0.000 1.038 459 V CB -0.917 30.953 31.823 0.079 0.000 0.646 459 V HN 0.711 nan 8.190 nan 0.000 0.447 460 Q N -1.117 118.757 119.800 0.124 0.000 2.187 460 Q HA -0.142 4.198 4.340 0.001 0.000 0.199 460 Q C 2.207 178.145 176.000 -0.104 0.000 0.957 460 Q CA 0.793 56.661 55.803 0.108 0.000 0.857 460 Q CB -0.231 28.739 28.738 0.387 0.000 0.929 460 Q HN 0.635 nan 8.270 nan 0.000 0.453 461 Q N 0.373 120.117 119.800 -0.094 0.000 2.449 461 Q HA -0.139 4.201 4.340 0.001 0.000 0.214 461 Q C 1.924 177.816 176.000 -0.179 0.000 0.986 461 Q CA 0.976 56.636 55.803 -0.238 0.000 0.893 461 Q CB -0.158 28.531 28.738 -0.083 0.000 0.940 461 Q HN 0.221 nan 8.270 nan 0.000 0.477 462 S N -0.288 115.351 115.700 -0.102 0.000 2.453 462 S HA -0.013 4.458 4.470 0.001 0.000 0.231 462 S C 0.872 175.419 174.600 -0.088 0.000 1.005 462 S CA 0.013 58.172 58.200 -0.069 0.000 0.949 462 S CB 0.245 63.428 63.200 -0.028 0.000 0.774 462 S HN 0.116 nan 8.310 nan 0.000 0.510 463 I N 2.797 123.286 120.570 -0.135 0.000 2.365 463 I HA 0.266 4.436 4.170 0.001 0.000 0.291 463 I C 0.233 176.241 176.117 -0.182 0.000 1.004 463 I CA -0.776 60.447 61.300 -0.129 0.000 1.311 463 I CB 0.918 38.857 38.000 -0.100 0.000 1.401 463 I HN 0.160 nan 8.210 nan 0.000 0.491 464 D N 4.596 124.933 120.400 -0.106 0.000 2.412 464 D HA -0.041 4.600 4.640 0.001 0.000 0.257 464 D C 1.254 177.495 176.300 -0.098 0.000 1.217 464 D CA 0.135 54.085 54.000 -0.082 0.000 0.897 464 D CB 1.112 41.901 40.800 -0.018 0.000 1.132 464 D HN 0.642 nan 8.370 nan 0.000 0.493 465 S N 4.327 119.951 115.700 -0.127 0.000 2.440 465 S HA -0.217 4.253 4.470 0.001 0.000 0.238 465 S C 1.653 176.256 174.600 0.006 0.000 1.010 465 S CA 0.649 58.803 58.200 -0.078 0.000 0.972 465 S CB -0.109 63.085 63.200 -0.010 0.000 0.774 465 S HN 0.566 nan 8.310 nan 0.000 0.501 466 R N 0.820 121.324 120.500 0.006 0.000 2.193 466 R HA 0.130 4.470 4.340 0.001 0.000 0.229 466 R C 1.751 178.046 176.300 -0.009 0.000 1.110 466 R CA 1.173 57.272 56.100 -0.002 0.000 0.988 466 R CB -0.583 29.696 30.300 -0.035 0.000 0.871 466 R HN 0.466 nan 8.270 nan 0.000 0.458 467 L N 0.307 121.525 121.223 -0.008 0.000 2.492 467 L HA 0.129 4.469 4.340 0.001 0.000 0.223 467 L C 0.587 177.474 176.870 0.029 0.000 1.132 467 L CA 0.196 55.037 54.840 0.002 0.000 0.850 467 L CB 0.088 42.142 42.059 -0.008 0.000 0.966 467 L HN 0.059 nan 8.230 nan 0.000 0.454 468 I N -0.040 120.555 120.570 0.042 0.000 2.392 468 I HA 0.297 4.467 4.170 0.001 0.000 0.295 468 I C -0.632 175.527 176.117 0.070 0.000 0.985 468 I CA -0.508 60.841 61.300 0.081 0.000 1.221 468 I CB 1.982 40.066 38.000 0.139 0.000 1.366 468 I HN -0.320 nan 8.210 nan 0.000 0.467 469 V N 4.476 124.434 119.914 0.072 0.000 2.709 469 V HA 0.357 4.478 4.120 0.001 0.000 0.308 469 V C -0.843 175.212 176.094 -0.065 0.000 1.062 469 V CA -0.895 61.391 62.300 -0.024 0.000 0.901 469 V CB 2.028 33.845 31.823 -0.009 0.000 1.003 469 V HN 0.565 nan 8.190 nan 0.000 0.425 470 D N 2.251 122.514 120.400 -0.229 0.000 2.264 470 D HA 0.494 5.134 4.640 0.001 0.000 0.249 470 D C -0.998 175.100 176.300 -0.337 0.000 1.070 470 D CA 0.153 54.019 54.000 -0.224 0.000 0.912 470 D CB 1.278 41.916 40.800 -0.271 0.000 1.193 470 D HN 0.476 nan 8.370 nan 0.000 0.427 471 W N 0.998 122.225 121.300 -0.122 0.000 2.715 471 W HA 0.451 5.111 4.660 0.001 0.000 0.331 471 W C 0.048 176.570 176.519 0.005 0.000 1.031 471 W CA -0.847 56.494 57.345 -0.008 0.000 1.237 471 W CB 1.366 30.721 29.460 -0.174 0.000 1.378 471 W HN -0.075 nan 8.180 nan 0.000 0.454 472 R N 2.825 123.540 120.500 0.358 0.000 2.514 472 R HA 0.507 4.847 4.340 0.001 0.000 0.296 472 R C -1.559 174.904 176.300 0.270 0.000 1.012 472 R CA -0.866 55.314 56.100 0.133 0.000 0.897 472 R CB 1.718 32.004 30.300 -0.024 0.000 1.184 472 R HN 0.167 nan 8.270 nan 0.000 0.440 473 F N 3.270 123.052 119.950 -0.279 0.000 2.436 473 F HA 0.499 5.027 4.527 0.001 0.000 0.340 473 F C -0.303 175.384 175.800 -0.188 0.000 1.113 473 F CA -1.468 56.462 58.000 -0.116 0.000 1.022 473 F CB 0.980 39.859 39.000 -0.200 0.000 1.128 473 F HN 0.281 nan 8.300 nan 0.000 0.466 474 F N 1.256 121.385 119.950 0.298 0.000 2.444 474 F HA 0.681 5.209 4.527 0.001 0.000 0.342 474 F C 0.642 176.652 175.800 0.350 0.000 1.121 474 F CA -1.433 56.749 58.000 0.304 0.000 0.997 474 F CB 1.050 40.276 39.000 0.377 0.000 1.130 474 F HN 0.517 nan 8.300 nan 0.000 0.454 475 G N 1.910 110.975 108.800 0.442 0.000 2.502 475 G HA2 0.606 4.566 3.960 0.001 0.000 0.305 475 G HA3 0.606 4.566 3.960 0.001 0.000 0.305 475 G C -0.755 174.346 174.900 0.335 0.000 1.190 475 G CA -1.114 44.223 45.100 0.395 0.000 0.933 475 G HN 0.743 nan 8.290 nan 0.000 0.503 476 R N -0.908 119.781 120.500 0.316 0.000 2.428 476 R HA 0.646 4.986 4.340 0.001 0.000 0.294 476 R C -1.126 175.282 176.300 0.180 0.000 1.000 476 R CA -0.533 55.686 56.100 0.198 0.000 0.960 476 R CB 1.267 31.711 30.300 0.240 0.000 1.076 476 R HN 0.266 nan 8.270 nan 0.000 0.475 477 T N 2.003 116.628 114.554 0.119 0.000 2.809 477 T HA 0.122 4.472 4.350 0.001 0.000 0.284 477 T C -0.736 174.047 174.700 0.138 0.000 0.992 477 T CA -0.623 61.593 62.100 0.193 0.000 0.957 477 T CB 1.391 70.442 68.868 0.305 0.000 0.942 477 T HN 0.639 nan 8.240 nan 0.000 0.439 478 E N 4.787 125.071 120.200 0.140 0.000 2.585 478 E HA 0.030 4.380 4.350 0.001 0.000 0.252 478 E C -1.986 174.695 176.600 0.134 0.000 0.981 478 E CA -1.325 55.149 56.400 0.122 0.000 0.943 478 E CB 0.445 30.209 29.700 0.105 0.000 0.923 478 E HN 0.244 nan 8.360 nan 0.000 0.486 479 P HA -0.014 nan 4.420 nan 0.000 0.261 479 P C -1.088 176.364 177.300 0.253 0.000 1.203 479 P CA 0.440 63.675 63.100 0.225 0.000 0.767 479 P CB 0.509 32.349 31.700 0.232 0.000 0.785 480 K N 3.146 123.646 120.400 0.167 0.000 2.397 480 K HA 0.174 4.494 4.320 0.001 0.000 0.253 480 K C 1.139 177.576 176.600 -0.271 0.000 0.932 480 K CA -0.828 55.467 56.287 0.012 0.000 0.795 480 K CB 1.925 34.395 32.500 -0.050 0.000 1.159 480 K HN 0.388 nan 8.250 nan 0.000 0.424 481 E N 2.142 121.983 120.200 -0.599 0.000 2.086 481 E HA -0.245 4.105 4.350 0.001 0.000 0.200 481 E C 0.999 177.329 176.600 -0.450 0.000 1.012 481 E CA 1.741 57.528 56.400 -1.023 0.000 0.812 481 E CB 0.518 29.831 29.700 -0.645 0.000 0.743 481 E HN 0.590 nan 8.360 nan 0.000 0.453 482 E N 0.499 120.548 120.200 -0.250 0.000 2.338 482 E HA -0.104 4.247 4.350 0.001 0.000 0.197 482 E C 0.158 176.702 176.600 -0.094 0.000 1.007 482 E CA 0.307 56.620 56.400 -0.146 0.000 0.849 482 E CB -0.360 29.271 29.700 -0.116 0.000 0.774 482 E HN 0.031 nan 8.360 nan 0.000 0.506 483 N N 2.041 120.682 118.700 -0.098 0.000 2.411 483 N HA 0.163 4.904 4.740 0.001 0.000 0.259 483 N C -0.701 174.876 175.510 0.112 0.000 1.103 483 N CA 0.212 53.263 53.050 0.002 0.000 0.954 483 N CB 1.065 39.541 38.487 -0.018 0.000 1.085 483 N HN 0.115 nan 8.380 nan 0.000 0.485 484 K N 1.331 121.849 120.400 0.196 0.000 2.464 484 K HA 0.425 4.745 4.320 0.001 0.000 0.253 484 K C -1.168 175.582 176.600 0.250 0.000 0.933 484 K CA -0.908 55.512 56.287 0.221 0.000 0.801 484 K CB 2.375 35.013 32.500 0.229 0.000 1.271 484 K HN 0.171 nan 8.250 nan 0.000 0.430 485 L N 4.635 125.944 121.223 0.143 0.000 2.294 485 L HA 0.539 4.879 4.340 0.001 0.000 0.283 485 L C -1.167 175.625 176.870 -0.131 0.000 1.015 485 L CA -0.140 54.602 54.840 -0.164 0.000 0.831 485 L CB 0.366 42.327 42.059 -0.163 0.000 1.217 485 L HN 0.684 nan 8.230 nan 0.000 0.420 486 W N 3.748 124.765 121.300 -0.473 0.000 3.021 486 W HA 0.675 5.336 4.660 0.001 0.000 0.337 486 W C -2.086 173.982 176.519 -0.751 0.000 1.171 486 W CA -1.253 55.865 57.345 -0.379 0.000 1.060 486 W CB 0.911 30.298 29.460 -0.122 0.000 1.472 486 W HN 0.312 nan 8.180 nan 0.000 0.594 487 F N 1.345 121.466 119.950 0.285 0.000 2.547 487 F HA 0.344 4.872 4.527 0.001 0.000 0.316 487 F C 0.655 176.605 175.800 0.249 0.000 1.121 487 F CA -0.901 57.152 58.000 0.088 0.000 0.911 487 F CB 2.125 41.165 39.000 0.067 0.000 1.179 487 F HN 0.276 nan 8.300 nan 0.000 0.443 488 S N 0.811 116.657 115.700 0.242 0.000 2.585 488 S HA 0.137 4.607 4.470 0.001 0.000 0.273 488 S C 0.610 175.350 174.600 0.234 0.000 1.339 488 S CA -0.423 57.944 58.200 0.278 0.000 1.028 488 S CB 0.505 63.786 63.200 0.134 0.000 0.906 488 S HN 0.700 nan 8.310 nan 0.000 0.528 489 D N 2.078 122.602 120.400 0.206 0.000 2.349 489 D HA 0.210 4.851 4.640 0.001 0.000 0.214 489 D C 0.862 177.222 176.300 0.099 0.000 1.063 489 D CA 0.215 54.297 54.000 0.136 0.000 0.847 489 D CB 0.242 41.108 40.800 0.111 0.000 0.933 489 D HN 0.340 nan 8.370 nan 0.000 0.513 490 K N -0.333 120.130 120.400 0.104 0.000 2.504 490 K HA 0.195 4.516 4.320 0.001 0.000 0.203 490 K C 0.206 176.849 176.600 0.071 0.000 1.350 490 K CA -0.059 56.274 56.287 0.077 0.000 0.953 490 K CB 1.418 33.962 32.500 0.073 0.000 1.243 490 K HN 0.090 nan 8.250 nan 0.000 0.534 491 I N 3.484 124.101 120.570 0.079 0.000 2.365 491 I HA 0.126 4.296 4.170 0.001 0.000 0.291 491 I C 0.667 176.824 176.117 0.066 0.000 1.004 491 I CA -0.051 61.285 61.300 0.061 0.000 1.311 491 I CB 0.848 38.874 38.000 0.044 0.000 1.401 491 I HN 0.061 nan 8.210 nan 0.000 0.491 492 T N 1.460 116.049 114.554 0.058 0.000 2.932 492 T HA 0.575 4.925 4.350 0.001 0.000 0.289 492 T C -0.229 174.510 174.700 0.064 0.000 1.039 492 T CA -0.897 61.244 62.100 0.068 0.000 1.024 492 T CB 2.349 71.252 68.868 0.059 0.000 1.090 492 T HN 0.546 nan 8.240 nan 0.000 0.496 493 D N 1.145 121.599 120.400 0.090 0.000 2.425 493 D HA 0.444 5.084 4.640 0.001 0.000 0.274 493 D C 1.673 178.003 176.300 0.050 0.000 1.242 493 D CA -0.330 53.725 54.000 0.092 0.000 1.060 493 D CB -0.200 40.698 40.800 0.164 0.000 1.112 493 D HN 0.637 nan 8.370 nan 0.000 0.561 494 A N -1.508 121.322 122.820 0.016 0.000 2.067 494 A HA -0.094 4.227 4.320 0.001 0.000 0.219 494 A C 1.284 178.684 177.584 -0.308 0.000 1.158 494 A CA 0.836 52.776 52.037 -0.161 0.000 0.661 494 A CB -0.934 17.920 19.000 -0.243 0.000 0.801 494 A HN 0.549 nan 8.150 nan 0.000 0.452 495 Y N -0.987 119.335 120.300 0.037 0.000 2.625 495 Y HA 0.219 4.769 4.550 0.001 0.000 0.285 495 Y C 0.888 176.823 175.900 0.058 0.000 1.168 495 Y CA -0.112 58.014 58.100 0.043 0.000 1.250 495 Y CB -0.138 38.328 38.460 0.010 0.000 1.130 495 Y HN 0.440 nan 8.280 nan 0.000 0.526 496 N N 0.188 118.958 118.700 0.116 0.000 2.714 496 N HA -0.189 4.551 4.740 0.001 0.000 0.250 496 N C -0.754 174.814 175.510 0.096 0.000 1.117 496 N CA 0.680 53.783 53.050 0.089 0.000 0.719 496 N CB -0.696 37.835 38.487 0.074 0.000 1.081 496 N HN 0.183 nan 8.380 nan 0.000 0.557 497 M N -0.342 119.330 119.600 0.120 0.000 2.598 497 M HA 0.458 4.939 4.480 0.001 0.000 0.317 497 M C -2.041 174.322 176.300 0.105 0.000 1.201 497 M CA -1.855 53.501 55.300 0.094 0.000 0.971 497 M CB 0.745 33.400 32.600 0.093 0.000 1.657 497 M HN -0.210 nan 8.290 nan 0.000 0.470 498 P HA 0.008 nan 4.420 nan 0.000 0.265 498 P C -0.674 176.776 177.300 0.251 0.000 1.193 498 P CA 0.069 63.259 63.100 0.151 0.000 0.765 498 P CB 0.282 32.072 31.700 0.149 0.000 0.823 499 Q N 6.647 126.550 119.800 0.172 0.000 2.296 499 Q HA 0.187 4.527 4.340 0.001 0.000 0.263 499 Q C -2.216 173.769 176.000 -0.025 0.000 1.026 499 Q CA -2.274 53.586 55.803 0.094 0.000 0.912 499 Q CB -0.184 28.559 28.738 0.008 0.000 1.198 499 Q HN 0.280 nan 8.270 nan 0.000 0.407 500 P HA -0.007 nan 4.420 nan 0.000 0.264 500 P C -0.941 175.879 177.300 -0.799 0.000 1.183 500 P CA 0.149 62.846 63.100 -0.673 0.000 0.763 500 P CB 0.796 32.234 31.700 -0.437 0.000 0.807 501 T N 3.360 117.197 114.554 -1.195 0.000 2.916 501 T HA 0.530 4.880 4.350 0.001 0.000 0.298 501 T C -0.704 173.347 174.700 -1.081 0.000 1.031 501 T CA -0.095 61.329 62.100 -1.126 0.000 0.993 501 T CB 0.556 68.403 68.868 -1.702 0.000 1.045 501 T HN 0.065 nan 8.240 nan 0.000 0.454 502 F N 1.892 121.571 119.950 -0.451 0.000 2.450 502 F HA 0.480 5.008 4.527 0.001 0.000 0.332 502 F C 0.553 176.314 175.800 -0.064 0.000 1.093 502 F CA -0.903 56.957 58.000 -0.234 0.000 1.003 502 F CB 1.319 40.230 39.000 -0.147 0.000 1.151 502 F HN 0.377 nan 8.300 nan 0.000 0.474 503 D N 3.776 124.349 120.400 0.288 0.000 2.446 503 D HA 0.219 4.859 4.640 0.001 0.000 0.251 503 D C -1.746 174.690 176.300 0.228 0.000 1.137 503 D CA -0.058 54.102 54.000 0.267 0.000 0.890 503 D CB 0.450 41.435 40.800 0.307 0.000 1.071 503 D HN 0.326 nan 8.370 nan 0.000 0.528 504 F N 3.575 123.526 119.950 0.001 0.000 2.574 504 F HA 0.530 5.057 4.527 0.001 0.000 0.313 504 F C -1.205 174.495 175.800 -0.167 0.000 1.130 504 F CA -0.623 57.312 58.000 -0.108 0.000 0.936 504 F CB 1.316 40.190 39.000 -0.210 0.000 1.219 504 F HN 0.035 nan 8.300 nan 0.000 0.445 505 R N 4.456 124.345 120.500 -1.019 0.000 2.725 505 R HA 0.365 4.705 4.340 0.001 0.000 0.277 505 R C -1.668 173.956 176.300 -1.126 0.000 0.987 505 R CA -0.964 54.650 56.100 -0.810 0.000 0.901 505 R CB 1.897 32.007 30.300 -0.317 0.000 1.207 505 R HN 0.578 nan 8.270 nan 0.000 0.463 506 F N 3.038 122.719 119.950 -0.448 0.000 2.543 506 F HA 0.183 4.710 4.527 0.001 0.000 0.375 506 F C -1.341 174.333 175.800 -0.210 0.000 1.075 506 F CA -1.270 56.587 58.000 -0.239 0.000 1.225 506 F CB 0.042 39.032 39.000 -0.017 0.000 1.099 506 F HN 0.116 nan 8.300 nan 0.000 0.561 507 P HA 0.116 nan 4.420 nan 0.000 0.268 507 P C -0.491 176.826 177.300 0.028 0.000 1.204 507 P CA -0.216 62.867 63.100 -0.027 0.000 0.768 507 P CB 0.507 32.205 31.700 -0.003 0.000 0.842 508 A N 2.913 125.735 122.820 0.003 0.000 2.475 508 A HA 0.499 4.819 4.320 0.001 0.000 0.239 508 A C 1.154 178.754 177.584 0.026 0.000 1.087 508 A CA 0.928 52.972 52.037 0.012 0.000 0.779 508 A CB -1.097 17.902 19.000 -0.002 0.000 1.036 508 A HN 0.852 nan 8.150 nan 0.000 0.506 509 G N -0.116 108.701 108.800 0.029 0.000 2.488 509 G HA2 -0.250 3.710 3.960 0.001 0.000 0.237 509 G HA3 -0.250 3.710 3.960 0.001 0.000 0.237 509 G C 1.000 175.933 174.900 0.055 0.000 1.209 509 G CA 0.777 45.901 45.100 0.039 0.000 0.929 509 G HN 1.051 nan 8.290 nan 0.000 0.578 510 R N -0.246 120.293 120.500 0.066 0.000 2.096 510 R HA -0.113 4.227 4.340 0.001 0.000 0.240 510 R C 2.831 179.193 176.300 0.103 0.000 1.139 510 R CA 2.896 59.046 56.100 0.083 0.000 0.952 510 R CB -1.008 29.343 30.300 0.084 0.000 0.854 510 R HN 0.655 nan 8.270 nan 0.000 0.436 511 T N 0.252 114.871 114.554 0.109 0.000 2.635 511 T HA -0.159 4.192 4.350 0.001 0.000 0.267 511 T C 1.980 176.742 174.700 0.103 0.000 1.040 511 T CA 1.890 64.071 62.100 0.135 0.000 1.156 511 T CB -0.305 68.660 68.868 0.163 0.000 0.863 511 T HN 0.289 nan 8.240 nan 0.000 0.430 512 S N 0.574 116.316 115.700 0.071 0.000 2.353 512 S HA -0.114 4.357 4.470 0.001 0.000 0.222 512 S C 2.068 176.687 174.600 0.032 0.000 1.035 512 S CA 1.298 59.511 58.200 0.022 0.000 1.025 512 S CB -0.289 62.918 63.200 0.012 0.000 0.902 512 S HN 0.485 nan 8.310 nan 0.000 0.440 513 K N 1.032 121.466 120.400 0.056 0.000 2.057 513 K HA -0.129 4.192 4.320 0.001 0.000 0.207 513 K C 1.936 178.600 176.600 0.108 0.000 1.049 513 K CA 1.460 57.788 56.287 0.068 0.000 0.931 513 K CB -0.155 32.386 32.500 0.068 0.000 0.714 513 K HN 0.375 nan 8.250 nan 0.000 0.440 514 E N 0.018 120.307 120.200 0.149 0.000 2.106 514 E HA -0.166 4.184 4.350 0.001 0.000 0.192 514 E C 1.937 178.654 176.600 0.194 0.000 0.984 514 E CA 0.879 57.432 56.400 0.256 0.000 0.806 514 E CB -0.088 29.787 29.700 0.292 0.000 0.750 514 E HN 0.427 nan 8.360 nan 0.000 0.458 515 A N 1.493 124.388 122.820 0.125 0.000 1.873 515 A HA -0.287 4.033 4.320 0.001 0.000 0.218 515 A C 2.123 179.781 177.584 0.123 0.000 1.193 515 A CA 1.973 54.072 52.037 0.104 0.000 0.629 515 A CB -0.504 18.506 19.000 0.016 0.000 0.826 515 A HN 0.160 nan 8.150 nan 0.000 0.447 516 E N 0.343 120.601 120.200 0.098 0.000 2.150 516 E HA -0.148 4.202 4.350 0.001 0.000 0.193 516 E C 1.294 177.885 176.600 -0.015 0.000 0.985 516 E CA 1.501 57.950 56.400 0.082 0.000 0.814 516 E CB -0.320 29.408 29.700 0.047 0.000 0.752 516 E HN 0.549 nan 8.360 nan 0.000 0.466 517 D N -0.271 120.129 120.400 -0.001 0.000 2.178 517 D HA -0.151 4.490 4.640 0.001 0.000 0.202 517 D C 1.847 177.950 176.300 -0.329 0.000 0.974 517 D CA 0.908 54.903 54.000 -0.009 0.000 0.841 517 D CB -0.258 40.670 40.800 0.213 0.000 0.953 517 D HN 0.324 nan 8.370 nan 0.000 0.478 518 M N -0.335 118.879 119.600 -0.643 0.000 2.156 518 M HA -0.134 4.347 4.480 0.001 0.000 0.264 518 M C 2.001 177.872 176.300 -0.715 0.000 1.067 518 M CA 0.972 55.508 55.300 -1.274 0.000 1.131 518 M CB 0.074 32.148 32.600 -0.877 0.000 1.368 518 M HN -0.049 nan 8.290 nan 0.000 0.416 519 M N 0.367 119.683 119.600 -0.473 0.000 2.059 519 M HA -0.153 4.328 4.480 0.001 0.000 0.259 519 M C 1.833 177.916 176.300 -0.361 0.000 1.072 519 M CA 2.491 57.512 55.300 -0.465 0.000 1.117 519 M CB -1.002 31.384 32.600 -0.357 0.000 1.320 519 M HN 0.241 nan 8.290 nan 0.000 0.408 520 T N 0.259 114.679 114.554 -0.223 0.000 2.653 520 T HA -0.247 4.104 4.350 0.001 0.000 0.268 520 T C 1.516 176.133 174.700 -0.139 0.000 1.035 520 T CA 2.057 64.072 62.100 -0.141 0.000 1.154 520 T CB -0.850 67.982 68.868 -0.060 0.000 0.862 520 T HN 0.589 nan 8.240 nan 0.000 0.441 521 D N 0.309 120.623 120.400 -0.142 0.000 2.133 521 D HA -0.107 4.533 4.640 0.001 0.000 0.195 521 D C 2.043 178.287 176.300 -0.094 0.000 0.997 521 D CA 1.059 55.062 54.000 0.004 0.000 0.840 521 D CB -0.224 40.661 40.800 0.142 0.000 0.947 521 D HN 0.358 nan 8.370 nan 0.000 0.452 522 M N -0.652 118.643 119.600 -0.509 0.000 2.156 522 M HA -0.128 4.352 4.480 0.001 0.000 0.264 522 M C 1.953 177.937 176.300 -0.527 0.000 1.067 522 M CA 1.146 55.879 55.300 -0.946 0.000 1.131 522 M CB -0.114 31.633 32.600 -1.422 0.000 1.368 522 M HN 0.196 nan 8.290 nan 0.000 0.416 523 C N -0.148 118.942 119.300 -0.350 0.000 2.413 523 C HA -0.126 4.335 4.460 0.001 0.000 0.276 523 C C 2.673 177.556 174.990 -0.177 0.000 1.236 523 C CA 0.972 59.893 59.018 -0.162 0.000 1.735 523 C CB -1.042 26.654 27.740 -0.073 0.000 2.031 523 C HN 0.493 nan 8.230 nan 0.000 0.474 524 V N 0.535 120.377 119.914 -0.118 0.000 2.307 524 V HA -0.299 3.821 4.120 0.001 0.000 0.245 524 V C 2.383 178.450 176.094 -0.046 0.000 1.045 524 V CA 2.311 64.574 62.300 -0.061 0.000 1.024 524 V CB -0.701 31.137 31.823 0.024 0.000 0.651 524 V HN 0.585 nan 8.190 nan 0.000 0.449 525 M N 0.885 120.500 119.600 0.024 0.000 2.067 525 M HA -0.181 4.299 4.480 0.001 0.000 0.260 525 M C 2.527 178.713 176.300 -0.190 0.000 1.069 525 M CA 2.440 57.823 55.300 0.138 0.000 1.117 525 M CB -0.255 32.574 32.600 0.381 0.000 1.334 525 M HN 0.550 nan 8.290 nan 0.000 0.407 526 S N 0.571 115.843 115.700 -0.713 0.000 2.400 526 S HA -0.109 4.361 4.470 0.001 0.000 0.232 526 S C 1.922 176.139 174.600 -0.638 0.000 1.025 526 S CA 1.110 58.476 58.200 -1.391 0.000 0.993 526 S CB -0.938 61.194 63.200 -1.779 0.000 0.808 526 S HN 0.589 nan 8.310 nan 0.000 0.478 527 A N 1.444 123.992 122.820 -0.454 0.000 2.172 527 A HA 0.066 4.387 4.320 0.001 0.000 0.216 527 A C 2.167 179.623 177.584 -0.213 0.000 1.154 527 A CA 1.173 52.992 52.037 -0.363 0.000 0.701 527 A CB -0.454 18.359 19.000 -0.312 0.000 0.789 527 A HN 0.613 nan 8.150 nan 0.000 0.465 528 K N -0.737 119.578 120.400 -0.140 0.000 2.305 528 K HA 0.121 4.441 4.320 0.001 0.000 0.199 528 K C 1.170 177.763 176.600 -0.011 0.000 1.047 528 K CA 0.538 56.794 56.287 -0.052 0.000 0.976 528 K CB 0.075 32.587 32.500 0.020 0.000 0.765 528 K HN 0.384 nan 8.250 nan 0.000 0.474 529 I N -0.575 120.006 120.570 0.019 0.000 2.927 529 I HA 0.143 4.313 4.170 0.001 0.000 0.268 529 I C 1.096 177.234 176.117 0.034 0.000 1.153 529 I CA 0.588 61.948 61.300 0.101 0.000 1.459 529 I CB 0.139 38.343 38.000 0.339 0.000 1.149 529 I HN 0.069 nan 8.210 nan 0.000 0.443 530 G N -0.591 108.178 108.800 -0.052 0.000 2.356 530 G HA2 0.457 4.418 3.960 0.001 0.000 0.294 530 G HA3 0.457 4.418 3.960 0.001 0.000 0.294 530 G C -0.688 174.074 174.900 -0.230 0.000 1.423 530 G CA -0.174 44.870 45.100 -0.095 0.000 0.806 530 G HN 0.252 nan 8.290 nan 0.000 0.527 531 G N -1.008 107.651 108.800 -0.236 0.000 2.539 531 G HA2 0.558 4.518 3.960 0.001 0.000 0.258 531 G HA3 0.558 4.518 3.960 0.001 0.000 0.258 531 G C -0.105 174.619 174.900 -0.294 0.000 1.202 531 G CA -0.478 44.391 45.100 -0.385 0.000 0.851 531 G HN 0.451 nan 8.290 nan 0.000 0.556 532 F N -0.719 119.138 119.950 -0.155 0.000 2.539 532 F HA 0.213 4.740 4.527 0.001 0.000 0.340 532 F C 0.695 176.441 175.800 -0.089 0.000 1.185 532 F CA -0.667 57.240 58.000 -0.156 0.000 1.333 532 F CB 0.408 39.307 39.000 -0.168 0.000 1.152 532 F HN 0.202 nan 8.300 nan 0.000 0.602 533 L N 4.511 125.817 121.223 0.139 0.000 2.276 533 L HA 0.489 4.829 4.340 0.001 0.000 0.286 533 L C -2.507 174.418 176.870 0.093 0.000 1.061 533 L CA -2.093 52.801 54.840 0.091 0.000 0.807 533 L CB 0.475 42.589 42.059 0.092 0.000 1.177 533 L HN 0.251 nan 8.230 nan 0.000 0.429 534 P HA 0.271 nan 4.420 nan 0.000 0.266 534 P C 0.498 177.859 177.300 0.101 0.000 1.195 534 P CA 0.904 64.049 63.100 0.076 0.000 0.768 534 P CB 0.817 32.553 31.700 0.061 0.000 0.838 535 G N 1.441 110.294 108.800 0.089 0.000 2.217 535 G HA2 -0.226 3.734 3.960 0.001 0.000 0.246 535 G HA3 -0.226 3.734 3.960 0.001 0.000 0.246 535 G C 0.531 175.520 174.900 0.149 0.000 0.990 535 G CA 0.220 45.395 45.100 0.125 0.000 0.627 535 G HN 0.520 nan 8.290 nan 0.000 0.522 536 S N 0.760 116.519 115.700 0.097 0.000 2.665 536 S HA 0.492 4.963 4.470 0.001 0.000 0.235 536 S C 0.457 174.979 174.600 -0.130 0.000 1.084 536 S CA -0.548 57.693 58.200 0.069 0.000 1.151 536 S CB 0.176 63.395 63.200 0.031 0.000 1.151 536 S HN 0.475 nan 8.310 nan 0.000 0.461 537 L N 2.924 124.055 121.223 -0.153 0.000 2.452 537 L HA 0.334 4.674 4.340 0.001 0.000 0.267 537 L C -1.949 174.640 176.870 -0.468 0.000 1.188 537 L CA -1.986 52.624 54.840 -0.383 0.000 0.821 537 L CB -0.082 41.816 42.059 -0.268 0.000 1.102 537 L HN 0.088 nan 8.230 nan 0.000 0.470 538 P HA 0.018 nan 4.420 nan 0.000 0.267 538 P C -1.439 175.630 177.300 -0.385 0.000 1.205 538 P CA 0.023 62.745 63.100 -0.629 0.000 0.765 538 P CB 0.727 31.951 31.700 -0.793 0.000 0.828 539 Q N 1.827 121.437 119.800 -0.318 0.000 2.472 539 Q HA 0.441 4.782 4.340 0.001 0.000 0.281 539 Q C -1.515 174.322 176.000 -0.273 0.000 0.997 539 Q CA -0.879 54.815 55.803 -0.182 0.000 0.828 539 Q CB 0.601 29.308 28.738 -0.051 0.000 1.443 539 Q HN 0.117 nan 8.270 nan 0.000 0.390 540 F N 1.596 121.484 119.950 -0.104 0.000 2.443 540 F HA 0.292 4.820 4.527 0.001 0.000 0.353 540 F C 0.654 176.414 175.800 -0.067 0.000 1.101 540 F CA -0.233 57.706 58.000 -0.102 0.000 1.226 540 F CB 0.871 39.800 39.000 -0.119 0.000 1.140 540 F HN 0.407 nan 8.300 nan 0.000 0.557 541 M N 1.464 121.109 119.600 0.075 0.000 2.283 541 M HA 0.152 4.633 4.480 0.001 0.000 0.314 541 M C 0.244 176.579 176.300 0.058 0.000 1.153 541 M CA -0.568 54.746 55.300 0.023 0.000 1.084 541 M CB 0.468 33.037 32.600 -0.052 0.000 1.468 541 M HN 0.539 nan 8.290 nan 0.000 0.474 542 E N 2.384 122.593 120.200 0.015 0.000 2.558 542 E HA 0.020 4.370 4.350 0.001 0.000 0.255 542 E C -2.096 174.524 176.600 0.033 0.000 0.968 542 E CA -1.315 55.094 56.400 0.016 0.000 0.939 542 E CB 0.277 29.963 29.700 -0.024 0.000 0.921 542 E HN 0.176 nan 8.360 nan 0.000 0.477 543 P HA -0.054 nan 4.420 nan 0.000 0.258 543 P C 0.417 177.658 177.300 -0.097 0.000 1.187 543 P CA 1.000 64.158 63.100 0.097 0.000 0.767 543 P CB 0.368 32.128 31.700 0.100 0.000 0.770 544 G N 2.808 111.551 108.800 -0.096 0.000 2.217 544 G HA2 -0.319 3.641 3.960 0.001 0.000 0.246 544 G HA3 -0.319 3.641 3.960 0.001 0.000 0.246 544 G C 0.714 175.564 174.900 -0.083 0.000 0.990 544 G CA 0.136 45.136 45.100 -0.167 0.000 0.627 544 G HN 0.530 nan 8.290 nan 0.000 0.522 545 L N 1.220 122.410 121.223 -0.055 0.000 2.261 545 L HA 0.172 4.512 4.340 0.001 0.000 0.216 545 L C 2.690 179.537 176.870 -0.039 0.000 1.114 545 L CA 2.505 57.314 54.840 -0.051 0.000 0.777 545 L CB -0.455 41.564 42.059 -0.066 0.000 0.910 545 L HN 0.533 nan 8.230 nan 0.000 0.440 546 V N -0.254 119.639 119.914 -0.036 0.000 2.970 546 V HA -0.074 4.046 4.120 0.001 0.000 0.260 546 V C 1.515 177.545 176.094 -0.108 0.000 1.100 546 V CA 0.614 62.867 62.300 -0.078 0.000 1.122 546 V CB -0.387 31.413 31.823 -0.039 0.000 0.721 546 V HN 0.471 nan 8.190 nan 0.000 0.483 547 L N 0.698 121.937 121.223 0.027 0.000 3.762 547 L HA -0.266 4.074 4.340 0.001 0.000 0.460 547 L C 0.507 177.589 176.870 0.352 0.000 1.255 547 L CA 0.948 55.875 54.840 0.146 0.000 0.783 547 L CB -2.285 39.877 42.059 0.172 0.000 1.600 547 L HN 0.558 nan 8.230 nan 0.000 0.862 548 H N -0.853 118.325 119.070 0.179 0.000 2.567 548 H HA 0.243 4.799 4.556 0.001 0.000 0.267 548 H C 0.632 176.109 175.328 0.248 0.000 1.148 548 H CA -1.064 55.135 56.048 0.252 0.000 1.031 548 H CB 0.774 30.714 29.762 0.297 0.000 1.691 548 H HN 0.252 nan 8.280 nan 0.000 0.588 549 L N 2.034 123.410 121.223 0.256 0.000 2.559 549 L HA 0.165 4.505 4.340 0.001 0.000 0.274 549 L C 0.568 177.580 176.870 0.236 0.000 1.205 549 L CA 0.808 55.746 54.840 0.164 0.000 0.907 549 L CB 0.288 42.406 42.059 0.099 0.000 1.153 549 L HN 0.230 nan 8.230 nan 0.000 0.490 550 G N 1.939 110.894 108.800 0.258 0.000 2.798 550 G HA2 0.550 4.510 3.960 0.001 0.000 0.286 550 G HA3 0.550 4.510 3.960 0.001 0.000 0.286 550 G C 0.324 175.328 174.900 0.174 0.000 1.389 550 G CA -0.344 44.915 45.100 0.264 0.000 0.894 550 G HN 1.372 nan 8.290 nan 0.000 0.488 551 G N -1.499 107.372 108.800 0.118 0.000 2.162 551 G HA2 -0.235 3.725 3.960 0.001 0.000 0.260 551 G HA3 -0.235 3.725 3.960 0.001 0.000 0.260 551 G C 1.314 176.270 174.900 0.093 0.000 0.976 551 G CA 1.588 46.761 45.100 0.122 0.000 0.655 551 G HN 1.852 nan 8.290 nan 0.000 0.533 552 T N -2.035 112.519 114.554 0.000 0.000 2.995 552 T HA 0.167 4.518 4.350 0.001 0.000 0.269 552 T C 1.056 175.825 174.700 0.115 0.000 1.091 552 T CA 1.839 63.975 62.100 0.060 0.000 1.128 552 T CB -0.239 68.659 68.868 0.048 0.000 0.891 552 T HN 1.522 nan 8.240 nan 0.000 0.492 553 H N -0.137 119.005 119.070 0.119 0.000 2.695 553 H HA 0.444 5.001 4.556 0.001 0.000 0.222 553 H C -0.234 175.138 175.328 0.073 0.000 1.412 553 H CA -1.412 54.684 56.048 0.080 0.000 1.347 553 H CB -0.483 29.294 29.762 0.025 0.000 1.858 553 H HN 0.356 nan 8.280 nan 0.000 0.519 554 R N 0.661 121.260 120.500 0.164 0.000 2.539 554 R HA 0.325 4.666 4.340 0.001 0.000 0.275 554 R C -0.250 176.123 176.300 0.121 0.000 1.077 554 R CA -0.746 55.423 56.100 0.115 0.000 1.097 554 R CB 1.054 31.405 30.300 0.085 0.000 1.018 554 R HN 0.445 nan 8.270 nan 0.000 0.483 555 M N 1.705 121.353 119.600 0.080 0.000 2.250 555 M HA 0.377 4.858 4.480 0.001 0.000 0.344 555 M C -0.432 175.868 176.300 0.000 0.000 1.150 555 M CA 0.453 55.771 55.300 0.031 0.000 1.147 555 M CB 1.249 33.839 32.600 -0.017 0.000 1.498 555 M HN 0.963 nan 8.290 nan 0.000 0.461 556 G N 2.348 111.151 108.800 0.005 0.000 2.576 556 G HA2 0.421 4.381 3.960 0.001 0.000 0.290 556 G HA3 0.421 4.381 3.960 0.001 0.000 0.290 556 G C -0.873 174.042 174.900 0.025 0.000 1.442 556 G CA -0.709 44.368 45.100 -0.039 0.000 0.792 556 G HN 0.686 nan 8.290 nan 0.000 0.491 557 F N -0.030 120.008 119.950 0.147 0.000 2.163 557 F HA 0.220 4.747 4.527 0.001 0.000 0.297 557 F C 1.190 177.115 175.800 0.210 0.000 1.094 557 F CA 1.249 59.334 58.000 0.142 0.000 1.290 557 F CB 0.334 39.386 39.000 0.086 0.000 1.017 557 F HN 0.408 nan 8.300 nan 0.000 0.483 558 D N -1.199 119.396 120.400 0.324 0.000 2.649 558 D HA 0.145 4.786 4.640 0.001 0.000 0.249 558 D C 0.719 176.929 176.300 -0.151 0.000 1.112 558 D CA -0.283 53.788 54.000 0.117 0.000 0.850 558 D CB 1.446 42.293 40.800 0.078 0.000 1.399 558 D HN 0.084 nan 8.370 nan 0.000 0.503 559 E N 3.190 122.976 120.200 -0.690 0.000 2.048 559 E HA -0.310 4.041 4.350 0.001 0.000 0.202 559 E C 1.403 177.803 176.600 -0.332 0.000 1.021 559 E CA 1.474 57.327 56.400 -0.911 0.000 0.825 559 E CB 0.210 29.223 29.700 -1.146 0.000 0.756 559 E HN 0.419 nan 8.360 nan 0.000 0.454 560 K N -0.024 120.242 120.400 -0.223 0.000 2.044 560 K HA -0.140 4.181 4.320 0.001 0.000 0.204 560 K C 2.088 178.652 176.600 -0.060 0.000 1.049 560 K CA 1.428 57.651 56.287 -0.106 0.000 0.945 560 K CB 0.011 32.466 32.500 -0.074 0.000 0.724 560 K HN 0.161 nan 8.250 nan 0.000 0.440 561 E N 0.191 120.363 120.200 -0.047 0.000 2.112 561 E HA -0.095 4.255 4.350 0.001 0.000 0.190 561 E C 0.709 177.307 176.600 -0.004 0.000 0.979 561 E CA 0.824 57.220 56.400 -0.007 0.000 0.814 561 E CB 0.246 29.955 29.700 0.015 0.000 0.762 561 E HN 0.308 nan 8.360 nan 0.000 0.460 562 D N 0.615 121.010 120.400 -0.009 0.000 2.342 562 D HA 0.031 4.671 4.640 0.001 0.000 0.221 562 D C -0.671 175.565 176.300 -0.107 0.000 1.101 562 D CA 0.017 54.009 54.000 -0.013 0.000 0.837 562 D CB -0.125 40.712 40.800 0.062 0.000 0.938 562 D HN 0.093 nan 8.370 nan 0.000 0.508 563 N N 0.619 119.239 118.700 -0.133 0.000 2.678 563 N HA -0.209 4.531 4.740 0.001 0.000 0.268 563 N C -0.160 175.247 175.510 -0.172 0.000 1.010 563 N CA 0.597 53.532 53.050 -0.193 0.000 0.784 563 N CB -1.368 36.872 38.487 -0.411 0.000 0.905 563 N HN 0.409 nan 8.380 nan 0.000 0.552 564 C N -3.326 115.938 119.300 -0.060 0.000 3.259 564 C HA 0.779 5.239 4.460 0.001 0.000 0.328 564 C C 1.307 176.422 174.990 0.207 0.000 1.425 564 C CA -0.669 58.391 59.018 0.070 0.000 1.465 564 C CB 1.555 29.370 27.740 0.126 0.000 1.890 564 C HN 0.502 nan 8.230 nan 0.000 0.450 565 C N 0.243 119.751 119.300 0.347 0.000 3.294 565 C HA 0.509 4.969 4.460 0.001 0.000 0.441 565 C C 0.590 175.786 174.990 0.344 0.000 1.364 565 C CA 0.574 59.823 59.018 0.383 0.000 2.059 565 C CB -0.396 27.465 27.740 0.202 0.000 2.925 565 C HN 0.974 nan 8.230 nan 0.000 0.633 566 V N 1.229 121.209 119.914 0.111 0.000 2.962 566 V HA 0.717 4.837 4.120 0.001 0.000 0.313 566 V C -0.823 174.980 176.094 -0.484 0.000 1.099 566 V CA -0.658 61.426 62.300 -0.361 0.000 0.971 566 V CB 1.549 33.257 31.823 -0.192 0.000 1.028 566 V HN 0.416 nan 8.190 nan 0.000 0.430 567 N N 0.750 118.993 118.700 -0.763 0.000 2.431 567 N HA 0.301 5.041 4.740 0.001 0.000 0.289 567 N C 1.013 176.372 175.510 -0.252 0.000 1.277 567 N CA 0.191 52.983 53.050 -0.430 0.000 0.972 567 N CB -0.146 38.092 38.487 -0.415 0.000 1.143 567 N HN 0.915 nan 8.380 nan 0.000 0.578 568 T N -4.892 109.551 114.554 -0.184 0.000 3.160 568 T HA 0.040 4.391 4.350 0.001 0.000 0.257 568 T C -0.071 174.540 174.700 -0.150 0.000 1.147 568 T CA 0.426 62.419 62.100 -0.178 0.000 1.064 568 T CB -0.481 68.292 68.868 -0.158 0.000 0.949 568 T HN 0.439 nan 8.240 nan 0.000 0.526 569 D N 1.119 121.416 120.400 -0.172 0.000 2.342 569 D HA 0.196 4.837 4.640 0.001 0.000 0.221 569 D C 0.573 176.836 176.300 -0.063 0.000 1.101 569 D CA 0.019 53.939 54.000 -0.134 0.000 0.837 569 D CB 0.170 40.780 40.800 -0.317 0.000 0.938 569 D HN 0.334 nan 8.370 nan 0.000 0.508 570 S N 0.286 115.921 115.700 -0.109 0.000 3.358 570 S HA -0.275 4.195 4.470 0.001 0.000 0.309 570 S C 0.654 175.168 174.600 -0.143 0.000 1.247 570 S CA 0.616 58.778 58.200 -0.063 0.000 0.961 570 S CB -1.322 61.926 63.200 0.080 0.000 1.074 570 S HN 0.487 nan 8.310 nan 0.000 0.625 571 R N 1.064 121.363 120.500 -0.336 0.000 2.390 571 R HA 0.442 4.783 4.340 0.001 0.000 0.291 571 R C -0.043 175.931 176.300 -0.543 0.000 1.070 571 R CA -0.380 55.343 56.100 -0.629 0.000 1.014 571 R CB 0.628 30.503 30.300 -0.709 0.000 1.007 571 R HN 0.134 nan 8.270 nan 0.000 0.466 572 V N 5.856 125.495 119.914 -0.458 0.000 2.572 572 V HA 0.039 4.160 4.120 0.001 0.000 0.291 572 V C 0.139 176.163 176.094 -0.116 0.000 1.039 572 V CA 0.073 62.206 62.300 -0.278 0.000 1.055 572 V CB 0.162 31.809 31.823 -0.294 0.000 0.969 572 V HN 0.564 nan 8.190 nan 0.000 0.482 573 F N 3.748 123.726 119.950 0.047 0.000 2.623 573 F HA 0.382 4.909 4.527 0.001 0.000 0.383 573 F C 1.594 177.513 175.800 0.199 0.000 1.077 573 F CA 1.625 59.680 58.000 0.092 0.000 1.268 573 F CB -0.040 39.011 39.000 0.086 0.000 1.053 573 F HN 0.800 nan 8.300 nan 0.000 0.571 574 G N 2.275 111.241 108.800 0.275 0.000 2.284 574 G HA2 -0.314 3.646 3.960 0.001 0.000 0.247 574 G HA3 -0.314 3.646 3.960 0.001 0.000 0.247 574 G C -0.059 174.773 174.900 -0.113 0.000 1.012 574 G CA -0.390 44.761 45.100 0.086 0.000 0.618 574 G HN 0.449 nan 8.290 nan 0.000 0.521 575 F N 0.533 120.504 119.950 0.035 0.000 2.427 575 F HA 0.713 5.240 4.527 0.001 0.000 0.346 575 F C 1.169 176.950 175.800 -0.032 0.000 1.120 575 F CA -0.790 57.216 58.000 0.009 0.000 1.033 575 F CB 1.972 40.977 39.000 0.009 0.000 1.126 575 F HN -0.162 nan 8.300 nan 0.000 0.462 576 K N 1.452 121.946 120.400 0.158 0.000 2.167 576 K HA -0.020 4.301 4.320 0.001 0.000 0.203 576 K C 0.991 177.830 176.600 0.399 0.000 1.052 576 K CA 0.883 57.307 56.287 0.228 0.000 0.956 576 K CB -0.028 32.598 32.500 0.209 0.000 0.735 576 K HN 0.561 nan 8.250 nan 0.000 0.451 577 N N -0.179 118.715 118.700 0.323 0.000 2.299 577 N HA 0.067 4.808 4.740 0.001 0.000 0.246 577 N C -0.939 174.696 175.510 0.209 0.000 1.254 577 N CA -0.344 52.927 53.050 0.367 0.000 0.879 577 N CB 0.132 38.881 38.487 0.438 0.000 1.214 577 N HN -0.035 nan 8.380 nan 0.000 0.510 578 L N 0.773 121.902 121.223 -0.157 0.000 2.325 578 L HA 0.687 5.027 4.340 0.001 0.000 0.281 578 L C -1.692 174.808 176.870 -0.617 0.000 1.004 578 L CA -0.676 54.036 54.840 -0.213 0.000 0.823 578 L CB 0.721 42.632 42.059 -0.246 0.000 1.236 578 L HN -0.044 nan 8.230 nan 0.000 0.415 579 F N 4.947 124.801 119.950 -0.160 0.000 2.577 579 F HA 0.693 5.220 4.527 0.001 0.000 0.318 579 F C -0.604 175.029 175.800 -0.278 0.000 1.065 579 F CA -0.768 57.115 58.000 -0.194 0.000 0.929 579 F CB 1.796 40.704 39.000 -0.153 0.000 1.237 579 F HN 0.172 nan 8.300 nan 0.000 0.468 580 L N 1.849 123.011 121.223 -0.101 0.000 2.381 580 L HA 0.826 5.166 4.340 0.001 0.000 0.274 580 L C -0.126 176.721 176.870 -0.037 0.000 0.988 580 L CA -0.745 53.956 54.840 -0.232 0.000 0.824 580 L CB 1.892 43.649 42.059 -0.503 0.000 1.263 580 L HN 0.792 nan 8.230 nan 0.000 0.410 581 G N 0.776 109.579 108.800 0.004 0.000 2.482 581 G HA2 0.833 4.793 3.960 0.001 0.000 0.317 581 G HA3 0.833 4.793 3.960 0.001 0.000 0.317 581 G C -0.488 174.528 174.900 0.192 0.000 1.241 581 G CA -0.377 44.840 45.100 0.195 0.000 0.967 581 G HN 0.943 nan 8.290 nan 0.000 0.482 582 G N -1.185 107.736 108.800 0.202 0.000 2.351 582 G HA2 0.131 4.092 3.960 0.001 0.000 0.353 582 G HA3 0.131 4.092 3.960 0.001 0.000 0.353 582 G C 0.720 175.690 174.900 0.117 0.000 1.358 582 G CA 0.069 45.269 45.100 0.167 0.000 0.995 582 G HN 1.066 nan 8.290 nan 0.000 0.611 583 C N 0.357 119.696 119.300 0.065 0.000 2.410 583 C HA 0.107 4.567 4.460 0.001 0.000 0.281 583 C C 3.079 178.059 174.990 -0.016 0.000 1.318 583 C CA 2.016 61.050 59.018 0.026 0.000 1.776 583 C CB -1.291 26.495 27.740 0.078 0.000 1.942 583 C HN 1.281 nan 8.230 nan 0.000 0.508 584 G N 0.899 109.601 108.800 -0.163 0.000 2.501 584 G HA2 -0.214 3.746 3.960 0.001 0.000 0.220 584 G HA3 -0.214 3.746 3.960 0.001 0.000 0.220 584 G C 1.361 175.937 174.900 -0.540 0.000 1.114 584 G CA 0.744 45.482 45.100 -0.604 0.000 0.757 584 G HN 0.574 nan 8.290 nan 0.000 0.559 585 N N 0.151 118.788 118.700 -0.106 0.000 2.457 585 N HA 0.043 4.784 4.740 0.001 0.000 0.180 585 N C 0.652 176.197 175.510 0.059 0.000 1.050 585 N CA 0.141 53.250 53.050 0.097 0.000 0.906 585 N CB 0.160 38.736 38.487 0.147 0.000 0.968 585 N HN 0.296 nan 8.380 nan 0.000 0.445 586 I N 2.820 123.418 120.570 0.047 0.000 2.379 586 I HA 0.075 4.245 4.170 0.001 0.000 0.290 586 I C -1.342 174.880 176.117 0.176 0.000 1.063 586 I CA -1.191 60.161 61.300 0.086 0.000 1.351 586 I CB 1.637 39.624 38.000 -0.021 0.000 1.410 586 I HN -0.073 nan 8.210 nan 0.000 0.505 587 P HA 0.056 nan 4.420 nan 0.000 0.264 587 P C 0.304 177.701 177.300 0.162 0.000 1.259 587 P CA 0.208 63.387 63.100 0.132 0.000 0.841 587 P CB 0.179 31.915 31.700 0.060 0.000 1.232 588 T N -1.860 112.822 114.554 0.214 0.000 2.847 588 T HA 0.633 4.984 4.350 0.001 0.000 0.279 588 T C 0.324 175.180 174.700 0.260 0.000 0.984 588 T CA -0.772 61.450 62.100 0.203 0.000 0.988 588 T CB 0.983 69.952 68.868 0.169 0.000 1.040 588 T HN 0.084 nan 8.240 nan 0.000 0.528 589 A N 2.016 124.918 122.820 0.137 0.000 2.347 589 A HA 0.592 4.912 4.320 0.001 0.000 0.287 589 A C -0.611 176.964 177.584 -0.014 0.000 1.199 589 A CA -0.815 51.251 52.037 0.048 0.000 0.851 589 A CB -0.906 18.137 19.000 0.071 0.000 1.118 589 A HN 0.933 nan 8.150 nan 0.000 0.525 590 Y N -0.356 119.890 120.300 -0.089 0.000 2.492 590 Y HA 0.678 5.228 4.550 0.001 0.000 0.346 590 Y C 0.659 176.469 175.900 -0.150 0.000 0.997 590 Y CA -0.633 57.240 58.100 -0.379 0.000 1.025 590 Y CB 1.252 39.299 38.460 -0.689 0.000 1.263 590 Y HN 0.410 nan 8.280 nan 0.000 0.454 591 G N 0.966 109.732 108.800 -0.056 0.000 2.608 591 G HA2 0.374 4.334 3.960 0.001 0.000 0.210 591 G HA3 0.374 4.334 3.960 0.001 0.000 0.210 591 G C 0.471 175.470 174.900 0.165 0.000 1.139 591 G CA 0.204 45.440 45.100 0.227 0.000 0.812 591 G HN 0.958 nan 8.290 nan 0.000 0.529 592 A N 0.767 123.525 122.820 -0.104 0.000 2.366 592 A HA 0.474 4.794 4.320 0.001 0.000 0.249 592 A C -0.057 177.426 177.584 -0.170 0.000 1.084 592 A CA -0.516 51.332 52.037 -0.315 0.000 0.794 592 A CB 0.063 18.881 19.000 -0.303 0.000 1.034 592 A HN 0.371 nan 8.150 nan 0.000 0.491 593 N N 2.038 120.504 118.700 -0.389 0.000 2.454 593 N HA 0.231 4.971 4.740 0.001 0.000 0.260 593 N C -2.067 173.345 175.510 -0.164 0.000 1.218 593 N CA -0.983 51.830 53.050 -0.396 0.000 0.904 593 N CB 0.303 38.661 38.487 -0.215 0.000 1.065 593 N HN 0.389 nan 8.380 nan 0.000 0.462 594 P HA -0.022 nan 4.420 nan 0.000 0.236 594 P C 0.464 177.667 177.300 -0.161 0.000 1.177 594 P CA 0.748 63.739 63.100 -0.182 0.000 0.773 594 P CB 0.269 31.857 31.700 -0.187 0.000 0.878 595 T N 0.812 115.352 114.554 -0.023 0.000 2.821 595 T HA -0.107 4.244 4.350 0.001 0.000 0.267 595 T C 1.722 176.512 174.700 0.150 0.000 1.046 595 T CA 0.823 62.965 62.100 0.071 0.000 1.139 595 T CB -0.734 68.210 68.868 0.127 0.000 0.871 595 T HN 0.032 nan 8.240 nan 0.000 0.454 596 L N 0.962 122.285 121.223 0.167 0.000 2.201 596 L HA -0.017 4.324 4.340 0.001 0.000 0.212 596 L C 2.348 179.328 176.870 0.184 0.000 1.105 596 L CA 1.470 56.474 54.840 0.274 0.000 0.775 596 L CB -0.738 41.443 42.059 0.202 0.000 0.913 596 L HN 0.152 nan 8.230 nan 0.000 0.440 597 T N -0.637 113.893 114.554 -0.040 0.000 2.809 597 T HA -0.022 4.329 4.350 0.001 0.000 0.260 597 T C 1.920 176.571 174.700 -0.081 0.000 1.039 597 T CA 1.042 63.055 62.100 -0.146 0.000 1.141 597 T CB -0.349 68.031 68.868 -0.812 0.000 0.869 597 T HN 0.475 nan 8.240 nan 0.000 0.437 598 A N 1.676 124.437 122.820 -0.097 0.000 1.940 598 A HA -0.114 4.206 4.320 0.001 0.000 0.219 598 A C 2.300 179.870 177.584 -0.022 0.000 1.176 598 A CA 1.878 53.892 52.037 -0.038 0.000 0.631 598 A CB -0.747 18.246 19.000 -0.012 0.000 0.814 598 A HN 0.537 nan 8.150 nan 0.000 0.446 599 M N -0.301 119.300 119.600 0.002 0.000 2.086 599 M HA -0.146 4.334 4.480 0.001 0.000 0.261 599 M C 2.175 178.412 176.300 -0.106 0.000 1.067 599 M CA 2.209 57.486 55.300 -0.038 0.000 1.116 599 M CB -0.190 32.400 32.600 -0.017 0.000 1.348 599 M HN 0.367 nan 8.290 nan 0.000 0.407 600 S N 1.277 116.920 115.700 -0.095 0.000 2.374 600 S HA -0.163 4.307 4.470 0.001 0.000 0.227 600 S C 1.772 176.198 174.600 -0.289 0.000 1.037 600 S CA 1.611 59.686 58.200 -0.207 0.000 1.024 600 S CB -0.667 62.388 63.200 -0.242 0.000 0.861 600 S HN 0.527 nan 8.310 nan 0.000 0.456 601 L N 1.012 122.101 121.223 -0.223 0.000 2.083 601 L HA -0.107 4.233 4.340 0.001 0.000 0.209 601 L C 2.789 179.539 176.870 -0.200 0.000 1.083 601 L CA 1.071 55.773 54.840 -0.229 0.000 0.752 601 L CB -0.746 41.243 42.059 -0.116 0.000 0.899 601 L HN 0.326 nan 8.230 nan 0.000 0.433 602 A N 0.539 123.243 122.820 -0.193 0.000 1.902 602 A HA -0.174 4.147 4.320 0.001 0.000 0.217 602 A C 2.234 179.547 177.584 -0.453 0.000 1.181 602 A CA 1.417 53.245 52.037 -0.348 0.000 0.623 602 A CB -0.617 18.158 19.000 -0.375 0.000 0.818 602 A HN 0.320 nan 8.150 nan 0.000 0.443 603 I N -0.428 119.950 120.570 -0.321 0.000 2.118 603 I HA -0.327 3.843 4.170 0.001 0.000 0.241 603 I C 2.635 178.603 176.117 -0.249 0.000 1.070 603 I CA 2.005 63.145 61.300 -0.267 0.000 1.327 603 I CB -0.315 37.543 38.000 -0.237 0.000 1.034 603 I HN 0.364 nan 8.210 nan 0.000 0.405 604 K N 0.536 120.786 120.400 -0.250 0.000 2.032 604 K HA -0.241 4.080 4.320 0.001 0.000 0.209 604 K C 2.363 178.890 176.600 -0.122 0.000 1.048 604 K CA 1.998 58.166 56.287 -0.198 0.000 0.927 604 K CB -0.242 32.106 32.500 -0.253 0.000 0.712 604 K HN 0.154 nan 8.250 nan 0.000 0.441 605 S N 0.253 115.874 115.700 -0.132 0.000 2.380 605 S HA -0.218 4.253 4.470 0.001 0.000 0.229 605 S C 2.138 176.688 174.600 -0.083 0.000 1.043 605 S CA 1.704 59.881 58.200 -0.038 0.000 1.038 605 S CB -0.431 62.770 63.200 0.001 0.000 0.872 605 S HN 0.530 nan 8.310 nan 0.000 0.456 606 C N 1.083 120.236 119.300 -0.244 0.000 2.440 606 C HA 0.025 4.486 4.460 0.001 0.000 0.278 606 C C 2.473 177.392 174.990 -0.120 0.000 1.295 606 C CA 0.680 59.550 59.018 -0.247 0.000 1.738 606 C CB -1.450 26.097 27.740 -0.322 0.000 1.987 606 C HN 0.683 nan 8.230 nan 0.000 0.492 607 E N -0.519 119.635 120.200 -0.077 0.000 2.130 607 E HA -0.286 4.065 4.350 0.001 0.000 0.196 607 E C 1.798 178.421 176.600 0.037 0.000 0.998 607 E CA 1.713 58.099 56.400 -0.024 0.000 0.806 607 E CB -0.311 29.369 29.700 -0.033 0.000 0.738 607 E HN 0.849 nan 8.360 nan 0.000 0.459 608 Y N 0.913 121.200 120.300 -0.022 0.000 2.200 608 Y HA -0.156 4.395 4.550 0.001 0.000 0.290 608 Y C 1.907 177.871 175.900 0.107 0.000 1.137 608 Y CA 1.325 59.463 58.100 0.064 0.000 1.163 608 Y CB 0.002 38.545 38.460 0.137 0.000 0.988 608 Y HN -0.049 nan 8.280 nan 0.000 0.518 609 I N 0.263 120.888 120.570 0.091 0.000 2.315 609 I HA -0.293 3.878 4.170 0.001 0.000 0.248 609 I C 2.174 178.331 176.117 0.067 0.000 1.117 609 I CA 1.477 62.795 61.300 0.030 0.000 1.404 609 I CB -0.370 37.413 38.000 -0.362 0.000 1.071 609 I HN 0.155 nan 8.210 nan 0.000 0.419 610 K N 0.354 120.756 120.400 0.005 0.000 2.283 610 K HA -0.177 4.144 4.320 0.001 0.000 0.202 610 K C 1.846 178.491 176.600 0.076 0.000 1.048 610 K CA 1.075 57.425 56.287 0.106 0.000 0.948 610 K CB -0.031 32.506 32.500 0.062 0.000 0.742 610 K HN 0.379 nan 8.250 nan 0.000 0.458 611 Q N -0.434 119.344 119.800 -0.036 0.000 2.384 611 Q HA 0.110 4.450 4.340 0.001 0.000 0.207 611 Q C 0.613 176.499 176.000 -0.190 0.000 0.904 611 Q CA 0.394 56.135 55.803 -0.104 0.000 0.933 611 Q CB 0.705 29.361 28.738 -0.136 0.000 1.077 611 Q HN 0.215 nan 8.270 nan 0.000 0.522 612 N N -0.937 117.623 118.700 -0.233 0.000 2.143 612 N HA 0.175 4.915 4.740 0.001 0.000 0.229 612 N C -1.148 173.960 175.510 -0.669 0.000 1.294 612 N CA 0.226 52.992 53.050 -0.474 0.000 0.883 612 N CB 1.233 39.251 38.487 -0.782 0.000 1.148 612 N HN 0.002 nan 8.380 nan 0.000 0.511 613 F N 0.180 120.144 119.950 0.024 0.000 2.588 613 F HA 0.287 4.815 4.527 0.001 0.000 0.314 613 F C -0.031 175.888 175.800 0.198 0.000 1.134 613 F CA -0.574 57.497 58.000 0.118 0.000 0.961 613 F CB 2.107 41.188 39.000 0.135 0.000 1.239 613 F HN -0.375 nan 8.300 nan 0.000 0.448 614 T N 4.630 119.344 114.554 0.268 0.000 2.771 614 T HA 0.437 4.787 4.350 0.001 0.000 0.281 614 T C -2.551 172.143 174.700 -0.010 0.000 0.982 614 T CA -1.448 60.708 62.100 0.092 0.000 0.978 614 T CB 1.185 70.069 68.868 0.027 0.000 0.930 614 T HN 0.160 nan 8.240 nan 0.000 0.447 615 P HA 0.154 nan 4.420 nan 0.000 0.267 615 P C 0.006 177.202 177.300 -0.173 0.000 1.205 615 P CA -0.405 62.403 63.100 -0.487 0.000 0.765 615 P CB 0.373 31.564 31.700 -0.848 0.000 0.828 616 S N 4.223 119.874 115.700 -0.081 0.000 2.576 616 S HA 0.292 4.762 4.470 0.001 0.000 0.272 616 S C -1.955 172.616 174.600 -0.049 0.000 1.352 616 S CA -0.878 57.296 58.200 -0.044 0.000 1.021 616 S CB -0.840 62.343 63.200 -0.029 0.000 0.887 616 S HN 0.360 nan 8.310 nan 0.000 0.542 617 P HA 0.262 nan 4.420 nan 0.000 0.277 617 P C -0.739 176.589 177.300 0.047 0.000 1.240 617 P CA -0.592 62.521 63.100 0.021 0.000 0.798 617 P CB 0.187 31.903 31.700 0.027 0.000 0.979 618 F N 1.576 121.512 119.950 -0.024 0.000 2.541 618 F HA 0.212 4.739 4.527 0.001 0.000 0.378 618 F C 1.022 176.816 175.800 -0.010 0.000 1.068 618 F CA 1.067 59.059 58.000 -0.013 0.000 1.199 618 F CB 0.271 39.265 39.000 -0.011 0.000 1.091 618 F HN 0.193 nan 8.300 nan 0.000 0.555 619 T N 0.000 114.637 114.554 0.138 0.000 3.816 619 T HA 0.000 4.350 4.350 0.001 0.000 0.228 619 T CA 0.000 62.171 62.100 0.119 0.000 1.349 619 T CB 0.000 68.868 68.868 0.000 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658