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_D 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 0.000 176.359 176.600 -0.401 0.000 0.988 46 K CA 0.000 56.124 56.287 -0.271 0.000 0.838 46 K CB 0.000 32.425 32.500 -0.124 0.000 1.064 47 Y N 2.131 122.424 120.300 -0.012 0.000 2.509 47 Y HA 0.289 4.840 4.550 0.001 0.000 0.341 47 Y C 0.876 176.760 175.900 -0.028 0.000 1.038 47 Y CA -0.647 57.446 58.100 -0.012 0.000 1.089 47 Y CB 1.829 40.284 38.460 -0.009 0.000 1.241 47 Y HN 0.648 nan 8.280 nan 0.000 0.468 48 D N 0.610 121.104 120.400 0.158 0.000 2.084 48 D HA -0.054 4.587 4.640 0.001 0.000 0.194 48 D C -0.116 176.181 176.300 -0.004 0.000 0.990 48 D CA 1.553 55.624 54.000 0.118 0.000 0.826 48 D CB 0.057 41.006 40.800 0.249 0.000 0.971 48 D HN 0.143 nan 8.370 nan 0.000 0.453 49 V N 0.782 120.692 119.914 -0.007 0.000 2.656 49 V HA 0.446 4.566 4.120 0.001 0.000 0.307 49 V C -0.194 175.829 176.094 -0.119 0.000 1.051 49 V CA -1.112 61.106 62.300 -0.137 0.000 0.893 49 V CB 2.428 34.155 31.823 -0.160 0.000 0.999 49 V HN 0.017 nan 8.190 nan 0.000 0.426 50 V N 2.549 122.348 119.914 -0.192 0.000 2.540 50 V HA 0.729 4.850 4.120 0.001 0.000 0.302 50 V C -0.666 175.396 176.094 -0.052 0.000 1.035 50 V CA -0.555 61.695 62.300 -0.085 0.000 0.873 50 V CB 1.571 33.402 31.823 0.013 0.000 0.992 50 V HN 0.706 nan 8.190 nan 0.000 0.428 51 I N 4.747 125.309 120.570 -0.013 0.000 2.378 51 I HA 0.503 4.673 4.170 0.001 0.000 0.291 51 I C -0.468 175.684 176.117 0.058 0.000 0.992 51 I CA -0.992 60.281 61.300 -0.045 0.000 1.154 51 I CB 2.036 39.993 38.000 -0.072 0.000 1.315 51 I HN 0.422 nan 8.210 nan 0.000 0.448 52 V N 5.412 125.333 119.914 0.013 0.000 2.348 52 V HA 0.779 4.899 4.120 0.001 0.000 0.270 52 V C 0.532 176.632 176.094 0.010 0.000 1.037 52 V CA -0.316 62.014 62.300 0.050 0.000 0.872 52 V CB 0.410 32.239 31.823 0.009 0.000 1.002 52 V HN 1.090 nan 8.190 nan 0.000 0.464 53 G N 3.875 112.701 108.800 0.044 0.000 3.055 53 G HA2 0.001 3.962 3.960 0.001 0.000 0.685 53 G HA3 0.001 3.962 3.960 0.001 0.000 0.685 53 G C -0.062 174.858 174.900 0.033 0.000 1.212 53 G CA -0.264 44.852 45.100 0.027 0.000 0.822 53 G HN 1.249 nan 8.290 nan 0.000 0.610 54 S N 0.956 116.681 115.700 0.042 0.000 2.601 54 S HA 0.596 5.067 4.470 0.001 0.000 0.244 54 S C 1.348 175.964 174.600 0.026 0.000 1.001 54 S CA 0.711 58.944 58.200 0.055 0.000 0.984 54 S CB 0.644 63.891 63.200 0.078 0.000 0.842 54 S HN 1.925 nan 8.310 nan 0.000 0.474 55 G N 2.782 111.585 108.800 0.005 0.000 2.631 55 G HA2 0.358 4.318 3.960 0.001 0.000 0.271 55 G HA3 0.358 4.318 3.960 0.001 0.000 0.271 55 G C -1.219 173.658 174.900 -0.038 0.000 1.302 55 G CA -1.121 43.962 45.100 -0.029 0.000 1.002 55 G HN 0.272 nan 8.290 nan 0.000 0.519 56 P HA -0.008 nan 4.420 nan 0.000 0.229 56 P C 1.683 178.938 177.300 -0.076 0.000 1.160 56 P CA 0.394 63.447 63.100 -0.079 0.000 0.777 56 P CB 0.212 31.878 31.700 -0.056 0.000 0.814 57 I N 0.392 120.950 120.570 -0.021 0.000 2.233 57 I HA -0.038 4.133 4.170 0.001 0.000 0.243 57 I C 2.662 178.844 176.117 0.107 0.000 1.093 57 I CA 1.481 62.806 61.300 0.043 0.000 1.380 57 I CB -2.254 35.792 38.000 0.078 0.000 1.067 57 I HN 0.005 nan 8.210 nan 0.000 0.413 58 G N 0.010 108.837 108.800 0.044 0.000 2.442 58 G HA2 -0.254 3.707 3.960 0.001 0.000 0.219 58 G HA3 -0.254 3.707 3.960 0.001 0.000 0.219 58 G C 1.771 176.673 174.900 0.002 0.000 1.141 58 G CA 1.040 46.151 45.100 0.018 0.000 0.763 58 G HN 0.415 nan 8.290 nan 0.000 0.554 59 C N 0.471 119.751 119.300 -0.034 0.000 2.468 59 C HA 0.093 4.554 4.460 0.001 0.000 0.277 59 C C 3.166 178.033 174.990 -0.206 0.000 1.400 59 C CA 1.287 60.247 59.018 -0.097 0.000 1.770 59 C CB -0.818 26.908 27.740 -0.024 0.000 1.905 59 C HN 0.455 nan 8.230 nan 0.000 0.519 60 T N -0.135 114.319 114.554 -0.166 0.000 2.737 60 T HA -0.149 4.202 4.350 0.001 0.000 0.265 60 T C 1.440 175.984 174.700 -0.260 0.000 1.038 60 T CA 1.558 63.508 62.100 -0.251 0.000 1.144 60 T CB -0.391 68.370 68.868 -0.180 0.000 0.866 60 T HN 0.572 nan 8.240 nan 0.000 0.434 61 Y N 1.498 121.648 120.300 -0.250 0.000 2.181 61 Y HA -0.026 4.525 4.550 0.001 0.000 0.288 61 Y C 2.778 178.462 175.900 -0.359 0.000 1.146 61 Y CA 0.807 58.750 58.100 -0.263 0.000 1.164 61 Y CB -0.610 37.722 38.460 -0.213 0.000 0.982 61 Y HN 0.190 nan 8.280 nan 0.000 0.515 62 A N 0.492 123.122 122.820 -0.316 0.000 1.851 62 A HA -0.290 4.031 4.320 0.001 0.000 0.216 62 A C 2.234 179.283 177.584 -0.892 0.000 1.195 62 A CA 2.114 53.715 52.037 -0.727 0.000 0.622 62 A CB -0.944 17.277 19.000 -1.299 0.000 0.831 62 A HN 0.450 nan 8.150 nan 0.000 0.444 63 R N -0.403 119.584 120.500 -0.855 0.000 2.112 63 R HA -0.217 4.124 4.340 0.001 0.000 0.242 63 R C 2.114 178.203 176.300 -0.352 0.000 1.137 63 R CA 2.084 57.860 56.100 -0.540 0.000 0.944 63 R CB -0.326 29.670 30.300 -0.508 0.000 0.857 63 R HN 0.630 nan 8.270 nan 0.000 0.435 64 E N 0.324 120.334 120.200 -0.316 0.000 2.028 64 E HA -0.185 4.166 4.350 0.001 0.000 0.191 64 E C 2.172 178.698 176.600 -0.123 0.000 0.988 64 E CA 1.425 57.715 56.400 -0.183 0.000 0.799 64 E CB -0.135 29.446 29.700 -0.197 0.000 0.755 64 E HN 0.451 nan 8.360 nan 0.000 0.447 65 L N 0.512 121.635 121.223 -0.168 0.000 2.209 65 L HA -0.063 4.278 4.340 0.001 0.000 0.207 65 L C 2.535 179.444 176.870 0.065 0.000 1.094 65 L CA 0.263 55.046 54.840 -0.096 0.000 0.790 65 L CB -0.236 41.664 42.059 -0.265 0.000 0.932 65 L HN -0.050 nan 8.230 nan 0.000 0.447 66 V N 0.417 120.281 119.914 -0.083 0.000 2.358 66 V HA -0.168 3.953 4.120 0.001 0.000 0.246 66 V C 2.594 178.706 176.094 0.030 0.000 1.047 66 V CA 2.036 64.323 62.300 -0.022 0.000 1.035 66 V CB -1.169 30.536 31.823 -0.197 0.000 0.658 66 V HN 0.547 nan 8.190 nan 0.000 0.452 67 G N -0.582 108.207 108.800 -0.019 0.000 2.448 67 G HA2 -0.072 3.889 3.960 0.001 0.000 0.218 67 G HA3 -0.072 3.889 3.960 0.001 0.000 0.218 67 G C 1.541 176.458 174.900 0.029 0.000 1.135 67 G CA 0.796 45.899 45.100 0.006 0.000 0.784 67 G HN 0.609 nan 8.290 nan 0.000 0.543 68 A N -0.581 122.286 122.820 0.078 0.000 2.208 68 A HA 0.480 4.801 4.320 0.001 0.000 0.209 68 A C 1.919 179.521 177.584 0.029 0.000 1.161 68 A CA 1.401 53.500 52.037 0.103 0.000 0.782 68 A CB -0.246 18.900 19.000 0.242 0.000 0.816 68 A HN 1.492 nan 8.150 nan 0.000 0.477 69 G N -2.759 106.069 108.800 0.045 0.000 2.192 69 G HA2 -0.200 3.761 3.960 0.001 0.000 0.193 69 G HA3 -0.200 3.761 3.960 0.001 0.000 0.193 69 G C -0.014 174.867 174.900 -0.031 0.000 0.999 69 G CA -0.092 44.984 45.100 -0.039 0.000 0.659 69 G HN 0.338 nan 8.290 nan 0.000 0.503 70 Y N 0.570 120.893 120.300 0.039 0.000 2.314 70 Y HA 0.473 5.024 4.550 0.001 0.000 0.334 70 Y C 1.140 177.090 175.900 0.083 0.000 1.266 70 Y CA 0.140 58.272 58.100 0.052 0.000 1.391 70 Y CB 0.663 39.136 38.460 0.021 0.000 1.306 70 Y HN 0.047 nan 8.280 nan 0.000 0.558 71 K N 2.157 122.710 120.400 0.256 0.000 2.171 71 K HA 0.360 4.681 4.320 0.001 0.000 0.274 71 K C -1.547 175.193 176.600 0.233 0.000 1.110 71 K CA -0.108 56.313 56.287 0.225 0.000 0.952 71 K CB -0.276 32.332 32.500 0.179 0.000 1.309 71 K HN 0.451 nan 8.250 nan 0.000 0.414 72 V N 3.136 123.157 119.914 0.178 0.000 2.472 72 V HA 0.567 4.688 4.120 0.001 0.000 0.290 72 V C -0.036 175.945 176.094 -0.189 0.000 1.037 72 V CA -0.815 61.521 62.300 0.061 0.000 0.908 72 V CB 1.345 33.249 31.823 0.137 0.000 0.985 72 V HN 0.817 nan 8.190 nan 0.000 0.454 73 A N 5.888 128.441 122.820 -0.445 0.000 2.350 73 A HA 0.936 5.257 4.320 0.001 0.000 0.324 73 A C -0.649 176.566 177.584 -0.614 0.000 1.118 73 A CA -0.653 50.875 52.037 -0.849 0.000 0.783 73 A CB 1.601 19.767 19.000 -1.389 0.000 1.236 73 A HN 0.905 nan 8.150 nan 0.000 0.457 74 M N 1.936 121.072 119.600 -0.774 0.000 2.464 74 M HA 0.783 5.264 4.480 0.001 0.000 0.308 74 M C -2.179 173.794 176.300 -0.544 0.000 1.127 74 M CA -0.450 54.612 55.300 -0.397 0.000 0.913 74 M CB 1.393 33.961 32.600 -0.053 0.000 1.689 74 M HN 0.590 nan 8.290 nan 0.000 0.445 75 F N 1.905 121.856 119.950 0.002 0.000 2.520 75 F HA 0.554 5.082 4.527 0.001 0.000 0.322 75 F C -0.300 175.509 175.800 0.014 0.000 1.103 75 F CA -0.564 57.460 58.000 0.039 0.000 0.926 75 F CB 1.620 40.628 39.000 0.014 0.000 1.154 75 F HN 0.457 nan 8.300 nan 0.000 0.453 76 D N 2.700 123.207 120.400 0.178 0.000 2.780 76 D HA 0.248 4.888 4.640 0.001 0.000 0.242 76 D C 0.507 176.848 176.300 0.067 0.000 1.135 76 D CA -0.326 53.729 54.000 0.091 0.000 0.859 76 D CB 2.579 43.414 40.800 0.059 0.000 1.530 76 D HN 0.660 nan 8.370 nan 0.000 0.493 77 I N 1.910 122.471 120.570 -0.015 0.000 2.614 77 I HA 0.041 4.211 4.170 0.001 0.000 0.258 77 I C 1.066 177.159 176.117 -0.039 0.000 1.189 77 I CA 0.774 62.023 61.300 -0.085 0.000 1.462 77 I CB 0.192 38.015 38.000 -0.295 0.000 1.092 77 I HN 0.322 nan 8.210 nan 0.000 0.442 78 G N -0.185 108.609 108.800 -0.010 0.000 2.568 78 G HA2 0.426 4.387 3.960 0.001 0.000 0.293 78 G HA3 0.426 4.387 3.960 0.001 0.000 0.293 78 G C -0.925 174.006 174.900 0.051 0.000 1.347 78 G CA -0.433 44.685 45.100 0.031 0.000 1.039 78 G HN 0.281 nan 8.290 nan 0.000 0.523 79 E N -1.515 118.720 120.200 0.058 0.000 2.339 79 E HA 0.398 4.749 4.350 0.001 0.000 0.262 79 E C -0.576 176.057 176.600 0.056 0.000 0.934 79 E CA -0.751 55.684 56.400 0.058 0.000 0.802 79 E CB 2.531 32.267 29.700 0.060 0.000 1.275 79 E HN 0.254 nan 8.360 nan 0.000 0.427 80 I N 2.816 123.416 120.570 0.051 0.000 2.436 80 I HA 0.043 4.214 4.170 0.001 0.000 0.289 80 I C -0.551 175.601 176.117 0.058 0.000 1.083 80 I CA 0.404 61.735 61.300 0.051 0.000 1.372 80 I CB 0.103 38.128 38.000 0.041 0.000 1.408 80 I HN 0.396 nan 8.210 nan 0.000 0.516 81 D N 3.769 124.210 120.400 0.069 0.000 2.668 81 D HA 0.157 4.798 4.640 0.001 0.000 0.247 81 D C -0.527 175.834 176.300 0.102 0.000 1.268 81 D CA -0.505 53.543 54.000 0.080 0.000 0.842 81 D CB 0.830 41.676 40.800 0.077 0.000 1.399 81 D HN 0.270 nan 8.370 nan 0.000 0.530 82 S N 0.197 115.961 115.700 0.107 0.000 3.022 82 S HA 0.592 5.063 4.470 0.001 0.000 0.247 82 S C 0.691 175.368 174.600 0.128 0.000 0.845 82 S CA -0.038 58.245 58.200 0.139 0.000 1.104 82 S CB 0.868 64.155 63.200 0.145 0.000 1.228 82 S HN 1.016 nan 8.310 nan 0.000 0.532 83 G N 1.669 110.532 108.800 0.104 0.000 2.584 83 G HA2 -0.230 3.730 3.960 0.001 0.000 0.229 83 G HA3 -0.230 3.730 3.960 0.001 0.000 0.229 83 G C 0.288 175.229 174.900 0.067 0.000 1.320 83 G CA -0.129 45.023 45.100 0.088 0.000 0.891 83 G HN 0.324 nan 8.290 nan 0.000 0.573 84 L N 0.427 121.684 121.223 0.056 0.000 2.240 84 L HA 0.150 4.491 4.340 0.001 0.000 0.211 84 L C 1.535 178.423 176.870 0.029 0.000 1.106 84 L CA 0.868 55.729 54.840 0.036 0.000 0.793 84 L CB -0.288 41.787 42.059 0.027 0.000 0.927 84 L HN 0.326 nan 8.230 nan 0.000 0.446 85 K N 2.052 122.478 120.400 0.044 0.000 2.278 85 K HA 0.269 4.590 4.320 0.001 0.000 0.289 85 K C -0.328 176.298 176.600 0.043 0.000 1.080 85 K CA -0.084 56.225 56.287 0.036 0.000 0.934 85 K CB 0.558 33.094 32.500 0.061 0.000 1.093 85 K HN 0.124 nan 8.250 nan 0.000 0.459 86 I N 1.746 122.324 120.570 0.014 0.000 2.556 86 I HA -0.042 4.129 4.170 0.001 0.000 0.284 86 I C 1.377 177.513 176.117 0.032 0.000 1.114 86 I CA 0.684 61.997 61.300 0.023 0.000 1.418 86 I CB 0.490 38.492 38.000 0.005 0.000 1.394 86 I HN 0.937 nan 8.210 nan 0.000 0.552 87 G N 4.189 113.023 108.800 0.056 0.000 2.155 87 G HA2 -0.225 3.735 3.960 0.001 0.000 0.257 87 G HA3 -0.225 3.735 3.960 0.001 0.000 0.257 87 G C 0.401 175.357 174.900 0.093 0.000 0.983 87 G CA 0.101 45.239 45.100 0.063 0.000 0.676 87 G HN 0.973 nan 8.290 nan 0.000 0.528 88 A N -0.407 122.484 122.820 0.120 0.000 2.310 88 A HA 0.579 4.900 4.320 0.001 0.000 0.260 88 A C 0.629 178.357 177.584 0.239 0.000 1.112 88 A CA -0.048 52.098 52.037 0.182 0.000 0.804 88 A CB 0.212 19.320 19.000 0.179 0.000 1.081 88 A HN 0.680 nan 8.150 nan 0.000 0.499 89 H N -0.028 119.178 119.070 0.227 0.000 2.610 89 H HA 0.215 4.772 4.556 0.001 0.000 0.336 89 H C 0.554 176.020 175.328 0.230 0.000 1.087 89 H CA 0.320 56.520 56.048 0.252 0.000 1.405 89 H CB 1.054 30.982 29.762 0.278 0.000 1.460 89 H HN 0.643 nan 8.280 nan 0.000 0.538 90 K N 3.058 123.769 120.400 0.518 0.000 2.418 90 K HA -0.036 4.285 4.320 0.001 0.000 0.195 90 K C 1.364 178.237 176.600 0.455 0.000 1.035 90 K CA 0.468 57.052 56.287 0.496 0.000 1.003 90 K CB 0.401 33.216 32.500 0.525 0.000 0.793 90 K HN 0.522 nan 8.250 nan 0.000 0.494 91 K N 0.093 120.573 120.400 0.133 0.000 2.417 91 K HA 0.090 4.411 4.320 0.001 0.000 0.196 91 K C 0.155 176.778 176.600 0.038 0.000 1.023 91 K CA 0.140 56.259 56.287 -0.280 0.000 1.122 91 K CB 0.166 31.908 32.500 -1.265 0.000 0.850 91 K HN -0.137 nan 8.250 nan 0.000 0.521 92 N N 2.699 121.524 118.700 0.208 0.000 2.623 92 N HA -0.007 4.734 4.740 0.001 0.000 0.263 92 N C -0.723 175.065 175.510 0.464 0.000 1.218 92 N CA 0.320 53.553 53.050 0.305 0.000 0.949 92 N CB 0.740 39.428 38.487 0.335 0.000 1.270 92 N HN 0.423 nan 8.380 nan 0.000 0.507 93 T N -4.031 110.774 114.554 0.418 0.000 2.855 93 T HA 0.321 4.671 4.350 0.001 0.000 0.281 93 T C 1.537 176.477 174.700 0.399 0.000 1.007 93 T CA -0.795 61.517 62.100 0.353 0.000 1.009 93 T CB 1.750 70.772 68.868 0.256 0.000 0.983 93 T HN -0.171 nan 8.240 nan 0.000 0.455 94 V N 1.755 121.843 119.914 0.289 0.000 2.317 94 V HA -0.185 3.936 4.120 0.001 0.000 0.251 94 V C 2.815 179.014 176.094 0.176 0.000 1.065 94 V CA 2.473 64.917 62.300 0.239 0.000 1.049 94 V CB -1.019 30.838 31.823 0.058 0.000 0.651 94 V HN 1.038 nan 8.190 nan 0.000 0.450 95 E N -0.395 119.849 120.200 0.073 0.000 2.058 95 E HA -0.227 4.124 4.350 0.001 0.000 0.194 95 E C 2.021 178.617 176.600 -0.006 0.000 0.997 95 E CA 1.811 58.193 56.400 -0.029 0.000 0.801 95 E CB -0.385 29.210 29.700 -0.176 0.000 0.746 95 E HN 0.678 nan 8.360 nan 0.000 0.450 96 Y N 0.741 121.139 120.300 0.164 0.000 2.314 96 Y HA -0.030 4.521 4.550 0.001 0.000 0.293 96 Y C 2.264 178.232 175.900 0.114 0.000 1.129 96 Y CA 1.284 59.477 58.100 0.155 0.000 1.201 96 Y CB -0.175 38.386 38.460 0.169 0.000 0.999 96 Y HN 0.179 nan 8.280 nan 0.000 0.541 97 Q N -0.113 119.839 119.800 0.255 0.000 2.297 97 Q HA -0.126 4.214 4.340 0.001 0.000 0.204 97 Q C 1.615 177.718 176.000 0.171 0.000 0.962 97 Q CA 0.986 56.897 55.803 0.181 0.000 0.879 97 Q CB -0.075 28.737 28.738 0.123 0.000 0.947 97 Q HN 0.484 nan 8.270 nan 0.000 0.462 98 K N 0.232 120.728 120.400 0.160 0.000 2.418 98 K HA 0.053 4.374 4.320 0.001 0.000 0.195 98 K C 0.607 177.281 176.600 0.124 0.000 1.035 98 K CA 0.384 56.745 56.287 0.122 0.000 1.003 98 K CB 0.377 32.932 32.500 0.092 0.000 0.793 98 K HN 0.055 nan 8.250 nan 0.000 0.494 99 N N 1.346 120.143 118.700 0.162 0.000 2.610 99 N HA 0.051 4.792 4.740 0.001 0.000 0.307 99 N C 0.438 176.111 175.510 0.272 0.000 1.813 99 N CA 0.050 53.213 53.050 0.188 0.000 0.901 99 N CB 0.850 39.431 38.487 0.157 0.000 1.354 99 N HN 0.077 nan 8.380 nan 0.000 0.491 100 I N 0.573 121.286 120.570 0.240 0.000 2.264 100 I HA -0.231 3.940 4.170 0.001 0.000 0.248 100 I C 0.945 177.206 176.117 0.238 0.000 1.111 100 I CA 1.783 63.221 61.300 0.231 0.000 1.382 100 I CB 0.136 38.237 38.000 0.169 0.000 1.060 100 I HN 0.106 nan 8.210 nan 0.000 0.418 101 D N 1.027 121.576 120.400 0.248 0.000 2.219 101 D HA -0.147 4.493 4.640 0.001 0.000 0.205 101 D C 1.913 178.300 176.300 0.146 0.000 0.970 101 D CA 0.584 54.705 54.000 0.201 0.000 0.851 101 D CB -0.048 40.952 40.800 0.334 0.000 0.943 101 D HN 0.284 nan 8.370 nan 0.000 0.488 102 K N 0.414 120.945 120.400 0.218 0.000 2.362 102 K HA -0.139 4.181 4.320 0.001 0.000 0.202 102 K C 1.730 178.429 176.600 0.164 0.000 1.045 102 K CA 0.173 56.597 56.287 0.228 0.000 0.936 102 K CB -0.637 32.066 32.500 0.338 0.000 0.747 102 K HN 0.253 nan 8.250 nan 0.000 0.467 103 F N 1.040 120.960 119.950 -0.049 0.000 2.407 103 F HA -0.137 4.391 4.527 0.001 0.000 0.299 103 F C 1.779 177.449 175.800 -0.216 0.000 1.097 103 F CA 0.433 58.244 58.000 -0.315 0.000 1.422 103 F CB 0.023 38.821 39.000 -0.336 0.000 1.067 103 F HN -0.272 nan 8.300 nan 0.000 0.539 104 V N 0.447 120.258 119.914 -0.172 0.000 2.469 104 V HA -0.364 3.757 4.120 0.001 0.000 0.251 104 V C 1.800 177.706 176.094 -0.313 0.000 1.064 104 V CA 2.356 64.508 62.300 -0.246 0.000 1.066 104 V CB -1.132 30.551 31.823 -0.233 0.000 0.667 104 V HN 0.370 nan 8.190 nan 0.000 0.461 105 N N 0.089 118.632 118.700 -0.261 0.000 2.188 105 N HA -0.124 4.617 4.740 0.001 0.000 0.184 105 N C 1.641 176.970 175.510 -0.301 0.000 1.018 105 N CA 1.267 54.183 53.050 -0.223 0.000 0.858 105 N CB -0.278 38.139 38.487 -0.116 0.000 0.989 105 N HN 0.349 nan 8.380 nan 0.000 0.426 106 V N 1.198 120.813 119.914 -0.498 0.000 2.358 106 V HA -0.158 3.963 4.120 0.001 0.000 0.246 106 V C 2.034 177.776 176.094 -0.586 0.000 1.047 106 V CA 1.257 63.211 62.300 -0.577 0.000 1.035 106 V CB -0.493 30.751 31.823 -0.965 0.000 0.658 106 V HN 0.307 nan 8.190 nan 0.000 0.452 107 I N -0.222 119.906 120.570 -0.736 0.000 2.163 107 I HA -0.352 3.819 4.170 0.001 0.000 0.243 107 I C 2.685 178.543 176.117 -0.431 0.000 1.085 107 I CA 1.822 62.755 61.300 -0.612 0.000 1.347 107 I CB -0.428 37.276 38.000 -0.493 0.000 1.044 107 I HN 0.354 nan 8.210 nan 0.000 0.408 108 Q N 0.367 119.973 119.800 -0.323 0.000 2.167 108 Q HA -0.129 4.212 4.340 0.001 0.000 0.202 108 Q C 2.291 178.189 176.000 -0.171 0.000 0.970 108 Q CA 1.415 57.086 55.803 -0.219 0.000 0.855 108 Q CB -0.329 28.295 28.738 -0.189 0.000 0.911 108 Q HN 0.645 nan 8.270 nan 0.000 0.438 109 G N 0.979 109.672 108.800 -0.179 0.000 2.498 109 G HA2 -0.238 3.722 3.960 0.001 0.000 0.219 109 G HA3 -0.238 3.722 3.960 0.001 0.000 0.219 109 G C 0.883 175.730 174.900 -0.087 0.000 1.119 109 G CA 0.803 45.833 45.100 -0.117 0.000 0.766 109 G HN 0.486 nan 8.290 nan 0.000 0.552 110 Q N -0.703 119.025 119.800 -0.120 0.000 2.089 110 Q HA 0.437 4.778 4.340 0.001 0.000 0.248 110 Q C -0.362 175.612 176.000 -0.042 0.000 0.828 110 Q CA -0.281 55.490 55.803 -0.053 0.000 1.102 110 Q CB 0.167 28.895 28.738 -0.017 0.000 1.221 110 Q HN 0.227 nan 8.270 nan 0.000 0.455 111 L N 1.990 123.168 121.223 -0.076 0.000 2.301 111 L HA 0.510 4.851 4.340 0.001 0.000 0.278 111 L C -0.893 175.974 176.870 -0.004 0.000 1.022 111 L CA -0.813 54.007 54.840 -0.033 0.000 0.854 111 L CB 0.969 42.979 42.059 -0.081 0.000 1.226 111 L HN 0.220 nan 8.230 nan 0.000 0.429 112 M N 1.871 121.495 119.600 0.040 0.000 2.108 112 M HA 0.238 4.719 4.480 0.001 0.000 0.354 112 M C 0.399 176.733 176.300 0.056 0.000 1.229 112 M CA 0.035 55.366 55.300 0.052 0.000 1.081 112 M CB 1.377 34.032 32.600 0.093 0.000 1.606 112 M HN 0.298 nan 8.290 nan 0.000 0.467 113 S N 1.967 117.687 115.700 0.035 0.000 2.552 113 S HA 0.101 4.572 4.470 0.001 0.000 0.289 113 S C 1.539 176.169 174.600 0.051 0.000 1.304 113 S CA -0.642 57.578 58.200 0.034 0.000 1.063 113 S CB 0.573 63.781 63.200 0.014 0.000 0.848 113 S HN 0.581 nan 8.310 nan 0.000 0.499 114 V N 2.447 122.400 119.914 0.065 0.000 2.270 114 V HA -0.027 4.094 4.120 0.001 0.000 0.245 114 V C 1.217 177.307 176.094 -0.006 0.000 1.043 114 V CA 1.532 63.857 62.300 0.042 0.000 1.014 114 V CB -0.136 31.740 31.823 0.088 0.000 0.645 114 V HN 0.796 nan 8.190 nan 0.000 0.447 115 S N -0.684 115.030 115.700 0.023 0.000 2.750 115 S HA 0.524 4.995 4.470 0.001 0.000 0.276 115 S C -1.134 173.465 174.600 -0.002 0.000 1.165 115 S CA -0.479 57.704 58.200 -0.027 0.000 1.047 115 S CB 1.488 64.646 63.200 -0.069 0.000 1.056 115 S HN 0.018 nan 8.310 nan 0.000 0.481 116 V N 7.875 127.777 119.914 -0.021 0.000 2.370 116 V HA 0.555 4.676 4.120 0.001 0.000 0.283 116 V C -1.873 174.201 176.094 -0.033 0.000 1.023 116 V CA -1.730 60.556 62.300 -0.023 0.000 0.857 116 V CB 1.420 33.230 31.823 -0.022 0.000 0.985 116 V HN 0.704 nan 8.190 nan 0.000 0.443 117 P HA 0.186 nan 4.420 nan 0.000 0.275 117 P C -0.182 177.092 177.300 -0.043 0.000 1.266 117 P CA -0.223 62.855 63.100 -0.037 0.000 0.793 117 P CB 0.844 32.523 31.700 -0.035 0.000 1.074 118 V N 1.807 121.699 119.914 -0.037 0.000 2.599 118 V HA -0.023 4.097 4.120 0.001 0.000 0.300 118 V C 1.279 177.322 176.094 -0.084 0.000 1.034 118 V CA 0.105 62.380 62.300 -0.043 0.000 1.115 118 V CB -0.709 31.111 31.823 -0.004 0.000 0.934 118 V HN 0.585 nan 8.190 nan 0.000 0.485 119 N N 3.559 122.201 118.700 -0.098 0.000 2.497 119 N HA 0.058 4.798 4.740 0.001 0.000 0.268 119 N C 0.628 175.973 175.510 -0.275 0.000 1.171 119 N CA 0.578 53.542 53.050 -0.142 0.000 0.948 119 N CB 1.430 39.860 38.487 -0.096 0.000 1.069 119 N HN 0.890 nan 8.380 nan 0.000 0.460 120 T N 0.843 115.116 114.554 -0.468 0.000 3.288 120 T HA 0.267 4.618 4.350 0.001 0.000 0.293 120 T C 0.797 174.995 174.700 -0.837 0.000 1.008 120 T CA -0.443 60.972 62.100 -1.142 0.000 0.929 120 T CB -0.427 67.866 68.868 -0.960 0.000 1.152 120 T HN 0.265 nan 8.240 nan 0.000 0.517 121 L N 1.866 122.885 121.223 -0.339 0.000 2.456 121 L HA 0.365 4.706 4.340 0.001 0.000 0.272 121 L C 0.030 176.933 176.870 0.055 0.000 1.189 121 L CA -0.575 54.192 54.840 -0.122 0.000 0.846 121 L CB 0.899 42.926 42.059 -0.053 0.000 1.111 121 L HN 0.088 nan 8.230 nan 0.000 0.475 122 V N 4.469 124.445 119.914 0.104 0.000 2.350 122 V HA 0.213 4.333 4.120 0.001 0.000 0.276 122 V C 0.016 176.179 176.094 0.115 0.000 1.028 122 V CA -0.477 61.941 62.300 0.197 0.000 0.860 122 V CB 1.586 33.505 31.823 0.161 0.000 0.990 122 V HN 0.399 nan 8.190 nan 0.000 0.453 123 V N 5.371 125.356 119.914 0.118 0.000 2.293 123 V HA 0.335 4.456 4.120 0.001 0.000 0.275 123 V C 0.223 176.351 176.094 0.058 0.000 1.021 123 V CA -0.447 61.898 62.300 0.076 0.000 0.815 123 V CB 1.305 33.173 31.823 0.075 0.000 1.025 123 V HN 1.043 nan 8.190 nan 0.000 0.448 124 D N 1.965 122.391 120.400 0.043 0.000 2.462 124 D HA -0.002 4.639 4.640 0.001 0.000 0.221 124 D C 1.172 177.483 176.300 0.019 0.000 1.173 124 D CA 0.304 54.320 54.000 0.026 0.000 0.831 124 D CB 0.439 41.253 40.800 0.023 0.000 1.001 124 D HN 0.540 nan 8.370 nan 0.000 0.499 125 T N -1.971 112.597 114.554 0.024 0.000 3.174 125 T HA 0.314 4.664 4.350 0.001 0.000 0.269 125 T C 0.860 175.573 174.700 0.022 0.000 1.017 125 T CA -0.535 61.576 62.100 0.020 0.000 0.899 125 T CB -0.149 68.731 68.868 0.019 0.000 1.077 125 T HN 0.010 nan 8.240 nan 0.000 0.552 126 L N 2.259 123.498 121.223 0.027 0.000 2.492 126 L HA 0.232 4.573 4.340 0.001 0.000 0.280 126 L C 1.164 178.048 176.870 0.023 0.000 1.240 126 L CA -0.392 54.468 54.840 0.032 0.000 0.831 126 L CB 0.217 42.301 42.059 0.042 0.000 1.100 126 L HN 0.272 nan 8.230 nan 0.000 0.505 127 S N 1.543 117.259 115.700 0.027 0.000 2.572 127 S HA 0.160 4.631 4.470 0.001 0.000 0.279 127 S C -1.495 173.114 174.600 0.015 0.000 1.341 127 S CA -1.113 57.099 58.200 0.020 0.000 1.043 127 S CB 0.881 64.095 63.200 0.024 0.000 0.887 127 S HN 0.400 nan 8.310 nan 0.000 0.516 128 P HA -0.060 nan 4.420 nan 0.000 0.223 128 P C 1.256 178.557 177.300 0.001 0.000 1.144 128 P CA 1.225 64.322 63.100 -0.005 0.000 0.783 128 P CB -0.254 31.442 31.700 -0.007 0.000 0.771 129 T N -5.915 108.649 114.554 0.017 0.000 3.054 129 T HA 0.107 4.458 4.350 0.001 0.000 0.259 129 T C 1.019 175.754 174.700 0.057 0.000 1.092 129 T CA 0.024 62.142 62.100 0.029 0.000 1.121 129 T CB -0.574 68.312 68.868 0.030 0.000 0.912 129 T HN -0.101 nan 8.240 nan 0.000 0.489 130 S N 1.484 117.222 115.700 0.064 0.000 2.564 130 S HA 0.254 4.724 4.470 0.001 0.000 0.278 130 S C -0.557 174.136 174.600 0.156 0.000 1.333 130 S CA -0.961 57.309 58.200 0.116 0.000 1.048 130 S CB 0.088 63.351 63.200 0.105 0.000 0.900 130 S HN 0.589 nan 8.310 nan 0.000 0.505 131 W N 3.334 124.642 121.300 0.014 0.000 2.322 131 W HA 0.215 4.875 4.660 0.001 0.000 0.328 131 W C 0.268 176.803 176.519 0.027 0.000 1.395 131 W CA 0.206 57.559 57.345 0.014 0.000 1.267 131 W CB 0.197 29.666 29.460 0.014 0.000 1.259 131 W HN 0.607 nan 8.180 nan 0.000 0.560 132 Q N 5.455 124.964 119.800 -0.484 0.000 2.372 132 Q HA 0.685 5.026 4.340 0.001 0.000 0.273 132 Q C -1.132 174.427 176.000 -0.734 0.000 1.078 132 Q CA -0.899 54.694 55.803 -0.349 0.000 0.806 132 Q CB 1.899 30.511 28.738 -0.210 0.000 1.332 132 Q HN 0.577 nan 8.270 nan 0.000 0.435 133 A N 2.117 124.734 122.820 -0.339 0.000 2.302 133 A HA 0.481 4.801 4.320 0.001 0.000 0.285 133 A C 0.240 177.668 177.584 -0.259 0.000 1.105 133 A CA -0.379 51.501 52.037 -0.263 0.000 0.816 133 A CB 1.269 20.431 19.000 0.270 0.000 1.067 133 A HN 0.876 nan 8.150 nan 0.000 0.489 134 S N -0.776 114.795 115.700 -0.214 0.000 2.492 134 S HA 0.125 4.596 4.470 0.001 0.000 0.218 134 S C 0.816 175.313 174.600 -0.172 0.000 1.016 134 S CA 0.934 59.021 58.200 -0.188 0.000 0.916 134 S CB -0.034 63.074 63.200 -0.153 0.000 0.791 134 S HN 1.101 nan 8.310 nan 0.000 0.513 135 T N -1.365 113.137 114.554 -0.087 0.000 2.865 135 T HA 0.620 4.971 4.350 0.001 0.000 0.294 135 T C -0.880 173.774 174.700 -0.077 0.000 1.119 135 T CA -0.726 61.311 62.100 -0.104 0.000 1.007 135 T CB 0.679 69.587 68.868 0.068 0.000 1.225 135 T HN -0.092 nan 8.240 nan 0.000 0.515 136 F N 3.053 123.079 119.950 0.126 0.000 2.652 136 F HA 0.369 4.897 4.527 0.001 0.000 0.352 136 F C 0.418 176.257 175.800 0.065 0.000 1.259 136 F CA -1.830 56.198 58.000 0.048 0.000 1.249 136 F CB -1.138 37.867 39.000 0.010 0.000 1.628 136 F HN 0.542 nan 8.300 nan 0.000 0.654 137 F N -0.854 119.200 119.950 0.172 0.000 2.375 137 F HA 0.611 5.139 4.527 0.001 0.000 0.313 137 F C -0.032 175.837 175.800 0.115 0.000 1.176 137 F CA -1.729 56.346 58.000 0.126 0.000 1.142 137 F CB -0.160 38.905 39.000 0.109 0.000 1.275 137 F HN -0.177 nan 8.300 nan 0.000 0.544 138 V N 2.830 122.872 119.914 0.213 0.000 2.450 138 V HA 0.211 4.332 4.120 0.001 0.000 0.281 138 V C 0.163 176.275 176.094 0.029 0.000 1.019 138 V CA 0.148 62.498 62.300 0.083 0.000 1.062 138 V CB -0.696 31.197 31.823 0.117 0.000 0.979 138 V HN 0.727 nan 8.190 nan 0.000 0.477 139 R N 3.769 124.196 120.500 -0.122 0.000 2.795 139 R HA 0.466 4.807 4.340 0.001 0.000 0.275 139 R C 0.231 176.494 176.300 -0.062 0.000 0.981 139 R CA -0.984 55.031 56.100 -0.142 0.000 0.917 139 R CB 1.221 31.326 30.300 -0.325 0.000 1.202 139 R HN 0.684 nan 8.270 nan 0.000 0.469 140 N N 0.725 119.407 118.700 -0.030 0.000 2.710 140 N HA -0.211 4.530 4.740 0.001 0.000 0.249 140 N C 0.485 175.983 175.510 -0.021 0.000 1.059 140 N CA 1.595 54.630 53.050 -0.025 0.000 0.720 140 N CB -1.058 37.408 38.487 -0.035 0.000 0.983 140 N HN 1.077 nan 8.380 nan 0.000 0.544 141 G N -1.831 106.962 108.800 -0.011 0.000 2.162 141 G HA2 -0.338 3.622 3.960 0.001 0.000 0.260 141 G HA3 -0.338 3.622 3.960 0.001 0.000 0.260 141 G C 0.320 175.214 174.900 -0.010 0.000 0.976 141 G CA 0.859 45.956 45.100 -0.006 0.000 0.655 141 G HN 1.255 nan 8.290 nan 0.000 0.533 142 S N -0.528 115.160 115.700 -0.019 0.000 2.584 142 S HA 0.434 4.905 4.470 0.001 0.000 0.270 142 S C 0.150 174.740 174.600 -0.018 0.000 1.346 142 S CA 0.169 58.355 58.200 -0.024 0.000 1.018 142 S CB 1.683 64.862 63.200 -0.036 0.000 0.899 142 S HN 0.855 nan 8.310 nan 0.000 0.542 143 N N 1.881 120.563 118.700 -0.030 0.000 2.469 143 N HA 0.363 5.104 4.740 0.001 0.000 0.253 143 N C -1.722 173.770 175.510 -0.029 0.000 0.970 143 N CA -2.555 50.471 53.050 -0.040 0.000 0.940 143 N CB 1.290 39.726 38.487 -0.085 0.000 1.128 143 N HN 0.341 nan 8.380 nan 0.000 0.503 144 P HA -0.042 nan 4.420 nan 0.000 0.234 144 P C 0.200 177.517 177.300 0.028 0.000 1.167 144 P CA 0.773 63.886 63.100 0.022 0.000 0.763 144 P CB 0.523 32.252 31.700 0.049 0.000 0.835 145 E N -0.100 120.101 120.200 0.002 0.000 2.274 145 E HA -0.099 4.252 4.350 0.001 0.000 0.194 145 E C 0.946 177.548 176.600 0.003 0.000 0.996 145 E CA 0.562 56.980 56.400 0.031 0.000 0.840 145 E CB -0.100 29.563 29.700 -0.062 0.000 0.772 145 E HN 0.322 nan 8.360 nan 0.000 0.491 146 Q N 2.232 122.000 119.800 -0.054 0.000 2.295 146 Q HA 0.025 4.366 4.340 0.001 0.000 0.259 146 Q C -0.776 175.225 176.000 0.001 0.000 0.976 146 Q CA -0.183 55.582 55.803 -0.063 0.000 0.923 146 Q CB 0.838 29.528 28.738 -0.080 0.000 1.185 146 Q HN -0.208 nan 8.270 nan 0.000 0.410 147 D N 6.071 126.490 120.400 0.033 0.000 2.358 147 D HA 0.069 4.710 4.640 0.001 0.000 0.258 147 D C -1.669 174.641 176.300 0.018 0.000 1.223 147 D CA -1.920 52.101 54.000 0.036 0.000 0.886 147 D CB 1.289 42.125 40.800 0.061 0.000 1.120 147 D HN 0.444 nan 8.370 nan 0.000 0.482 148 P HA -0.116 nan 4.420 nan 0.000 0.221 148 P C 1.297 178.594 177.300 -0.004 0.000 1.145 148 P CA 0.846 63.939 63.100 -0.011 0.000 0.795 148 P CB 0.284 31.967 31.700 -0.028 0.000 0.775 149 L N -1.567 119.658 121.223 0.004 0.000 2.592 149 L HA 0.157 4.498 4.340 0.001 0.000 0.227 149 L C 1.476 178.357 176.870 0.019 0.000 1.127 149 L CA 0.289 55.134 54.840 0.007 0.000 0.884 149 L CB -0.235 41.826 42.059 0.003 0.000 1.065 149 L HN -0.169 nan 8.230 nan 0.000 0.457 150 R N 0.096 120.615 120.500 0.032 0.000 2.772 150 R HA 0.216 4.556 4.340 0.001 0.000 0.358 150 R C -0.490 175.855 176.300 0.074 0.000 1.143 150 R CA -0.269 55.861 56.100 0.051 0.000 1.153 150 R CB 0.320 30.654 30.300 0.056 0.000 1.329 150 R HN 0.047 nan 8.270 nan 0.000 0.615 151 N N 0.464 119.184 118.700 0.032 0.000 2.432 151 N HA 0.381 5.121 4.740 0.001 0.000 0.292 151 N C -0.793 174.611 175.510 -0.177 0.000 1.193 151 N CA -0.675 52.370 53.050 -0.009 0.000 0.878 151 N CB 1.242 39.728 38.487 -0.002 0.000 1.252 151 N HN 0.092 nan 8.380 nan 0.000 0.520 152 L N 2.121 123.069 121.223 -0.459 0.000 2.417 152 L HA 0.227 4.568 4.340 0.001 0.000 0.258 152 L C 1.376 178.061 176.870 -0.310 0.000 1.088 152 L CA -0.308 54.170 54.840 -0.603 0.000 0.975 152 L CB 0.481 41.803 42.059 -1.228 0.000 1.341 152 L HN 0.657 nan 8.230 nan 0.000 0.431 153 S N -0.067 115.543 115.700 -0.151 0.000 2.419 153 S HA -0.114 4.356 4.470 0.001 0.000 0.233 153 S C 1.735 176.296 174.600 -0.065 0.000 1.016 153 S CA 0.977 59.134 58.200 -0.072 0.000 0.974 153 S CB -0.158 63.014 63.200 -0.047 0.000 0.786 153 S HN 0.648 nan 8.310 nan 0.000 0.492 154 G N 0.339 109.085 108.800 -0.090 0.000 2.880 154 G HA2 0.107 4.068 3.960 0.001 0.000 0.209 154 G HA3 0.107 4.068 3.960 0.001 0.000 0.209 154 G C 0.495 175.362 174.900 -0.056 0.000 1.157 154 G CA -0.346 44.714 45.100 -0.066 0.000 0.779 154 G HN 0.358 nan 8.290 nan 0.000 0.539 155 Q N 0.762 120.517 119.800 -0.076 0.000 2.274 155 Q HA 0.482 4.822 4.340 0.001 0.000 0.280 155 Q C -0.033 175.994 176.000 0.046 0.000 1.047 155 Q CA 0.190 55.982 55.803 -0.019 0.000 0.907 155 Q CB 1.343 30.066 28.738 -0.025 0.000 1.171 155 Q HN 0.294 nan 8.270 nan 0.000 0.381 156 A N 2.431 125.284 122.820 0.055 0.000 2.532 156 A HA 0.826 5.147 4.320 0.001 0.000 0.290 156 A C -0.857 176.782 177.584 0.092 0.000 1.143 156 A CA -0.543 51.533 52.037 0.064 0.000 0.728 156 A CB 1.428 20.450 19.000 0.038 0.000 1.317 156 A HN 0.482 nan 8.150 nan 0.000 0.414 157 V N -2.885 117.094 119.914 0.108 0.000 3.102 157 V HA 0.943 5.064 4.120 0.001 0.000 0.312 157 V C -0.539 175.645 176.094 0.149 0.000 1.135 157 V CA -0.556 61.831 62.300 0.146 0.000 1.022 157 V CB 1.575 33.522 31.823 0.207 0.000 1.056 157 V HN 0.875 nan 8.190 nan 0.000 0.436 158 T N 2.119 116.769 114.554 0.160 0.000 2.881 158 T HA 0.557 4.908 4.350 0.001 0.000 0.291 158 T C -0.399 174.364 174.700 0.105 0.000 0.990 158 T CA -0.476 61.710 62.100 0.144 0.000 0.976 158 T CB 1.277 70.278 68.868 0.221 0.000 0.970 158 T HN 0.749 nan 8.240 nan 0.000 0.438 159 R N 2.645 123.193 120.500 0.079 0.000 2.664 159 R HA 0.556 4.897 4.340 0.001 0.000 0.281 159 R C -0.671 175.657 176.300 0.047 0.000 1.383 159 R CA -0.497 55.623 56.100 0.034 0.000 1.563 159 R CB 0.712 31.014 30.300 0.003 0.000 1.131 159 R HN 0.524 nan 8.270 nan 0.000 0.599 160 V N -2.198 117.745 119.914 0.049 0.000 3.012 160 V HA 0.405 4.525 4.120 0.001 0.000 0.307 160 V C 0.049 176.171 176.094 0.048 0.000 1.166 160 V CA -1.123 61.210 62.300 0.056 0.000 0.974 160 V CB 2.041 33.907 31.823 0.071 0.000 1.040 160 V HN 0.060 nan 8.190 nan 0.000 0.428 161 V N 4.105 124.049 119.914 0.050 0.000 2.539 161 V HA 0.456 4.577 4.120 0.001 0.000 0.300 161 V C 1.708 177.829 176.094 0.045 0.000 1.019 161 V CA 2.141 64.471 62.300 0.049 0.000 1.160 161 V CB -0.056 31.799 31.823 0.053 0.000 0.901 161 V HN 2.062 nan 8.190 nan 0.000 0.481 162 G N 3.314 112.133 108.800 0.032 0.000 2.201 162 G HA2 0.015 3.976 3.960 0.001 0.000 0.212 162 G HA3 0.015 3.976 3.960 0.001 0.000 0.212 162 G C 0.906 175.786 174.900 -0.034 0.000 0.994 162 G CA 0.175 45.280 45.100 0.009 0.000 0.644 162 G HN 1.952 nan 8.290 nan 0.000 0.508 163 G N 0.558 109.353 108.800 -0.009 0.000 2.602 163 G HA2 -0.296 3.665 3.960 0.001 0.000 0.317 163 G HA3 -0.296 3.665 3.960 0.001 0.000 0.317 163 G C 1.309 176.161 174.900 -0.080 0.000 1.327 163 G CA 1.512 46.602 45.100 -0.016 0.000 0.971 163 G HN 1.124 nan 8.290 nan 0.000 0.540 164 M N 1.470 120.983 119.600 -0.145 0.000 2.549 164 M HA -0.014 4.467 4.480 0.001 0.000 0.260 164 M C 2.606 178.548 176.300 -0.597 0.000 1.076 164 M CA 1.718 56.778 55.300 -0.401 0.000 1.090 164 M CB -0.274 32.165 32.600 -0.269 0.000 1.418 164 M HN 0.644 nan 8.290 nan 0.000 0.486 165 S N -0.686 114.736 115.700 -0.464 0.000 2.607 165 S HA -0.043 4.428 4.470 0.001 0.000 0.224 165 S C 1.719 176.161 174.600 -0.263 0.000 0.969 165 S CA 0.934 58.733 58.200 -0.669 0.000 0.927 165 S CB -0.901 61.922 63.200 -0.628 0.000 0.772 165 S HN 0.576 nan 8.310 nan 0.000 0.533 166 T N -0.420 114.012 114.554 -0.203 0.000 3.055 166 T HA -0.011 4.340 4.350 0.001 0.000 0.265 166 T C 1.498 176.066 174.700 -0.219 0.000 1.111 166 T CA 0.928 62.961 62.100 -0.112 0.000 1.118 166 T CB -0.667 68.229 68.868 0.047 0.000 0.909 166 T HN 0.881 nan 8.240 nan 0.000 0.501 167 H N -1.875 117.105 119.070 -0.150 0.000 3.440 167 H HA 0.205 4.762 4.556 0.001 0.000 0.259 167 H C 0.700 176.159 175.328 0.219 0.000 1.120 167 H CA -0.913 55.158 56.048 0.037 0.000 1.191 167 H CB -0.448 29.385 29.762 0.118 0.000 1.537 167 H HN 0.497 nan 8.280 nan 0.000 0.547 168 W N 2.874 124.038 121.300 -0.226 0.000 1.979 168 W HA 0.263 4.924 4.660 0.001 0.000 0.359 168 W C 0.160 176.757 176.519 0.131 0.000 1.354 168 W CA -0.019 57.324 57.345 -0.004 0.000 1.359 168 W CB -0.351 29.057 29.460 -0.087 0.000 1.248 168 W HN -0.187 nan 8.180 nan 0.000 0.641 169 T N 0.525 115.039 114.554 -0.067 0.000 3.067 169 T HA -0.002 4.349 4.350 0.001 0.000 0.261 169 T C 1.021 175.290 174.700 -0.719 0.000 1.110 169 T CA 1.304 63.198 62.100 -0.344 0.000 1.113 169 T CB -0.464 68.350 68.868 -0.091 0.000 0.917 169 T HN 0.658 nan 8.240 nan 0.000 0.499 170 C N 0.797 119.301 119.300 -1.327 0.000 4.761 170 C HA -0.088 4.373 4.460 0.001 0.000 0.250 170 C C 1.060 175.595 174.990 -0.759 0.000 1.232 170 C CA -0.891 57.164 59.018 -1.606 0.000 1.596 170 C CB -2.578 24.726 27.740 -0.727 0.000 1.604 170 C HN 0.766 nan 8.230 nan 0.000 0.685 171 A N 1.288 123.841 122.820 -0.445 0.000 2.396 171 A HA 0.540 4.861 4.320 0.001 0.000 0.279 171 A C 0.784 178.282 177.584 -0.142 0.000 1.165 171 A CA 1.211 53.134 52.037 -0.190 0.000 0.824 171 A CB 0.124 19.078 19.000 -0.078 0.000 1.100 171 A HN 1.406 nan 8.150 nan 0.000 0.516 172 T N 1.678 116.168 114.554 -0.107 0.000 3.401 172 T HA 0.527 4.878 4.350 0.001 0.000 0.341 172 T C -2.683 171.976 174.700 -0.069 0.000 1.674 172 T CA -1.706 60.369 62.100 -0.043 0.000 1.600 172 T CB 0.503 69.380 68.868 0.015 0.000 0.974 172 T HN 0.428 nan 8.240 nan 0.000 0.672 173 P HA 0.329 nan 4.420 nan 0.000 0.274 173 P C -0.065 177.087 177.300 -0.247 0.000 1.231 173 P CA -0.554 62.441 63.100 -0.176 0.000 0.790 173 P CB 0.927 32.483 31.700 -0.240 0.000 0.951 174 R N 1.124 121.382 120.500 -0.403 0.000 2.641 174 R HA 0.320 4.661 4.340 0.001 0.000 0.269 174 R C 0.092 176.249 176.300 -0.238 0.000 1.074 174 R CA -0.307 55.343 56.100 -0.750 0.000 1.133 174 R CB 0.074 29.812 30.300 -0.936 0.000 1.029 174 R HN 0.381 nan 8.270 nan 0.000 0.488 175 F N 2.017 121.724 119.950 -0.406 0.000 2.412 175 F HA 0.051 4.579 4.527 0.001 0.000 0.348 175 F C 0.961 176.565 175.800 -0.327 0.000 1.102 175 F CA -1.602 56.194 58.000 -0.340 0.000 1.196 175 F CB 0.158 38.958 39.000 -0.334 0.000 1.144 175 F HN 0.524 nan 8.300 nan 0.000 0.541 176 D N 2.404 122.727 120.400 -0.127 0.000 2.377 176 D HA 0.121 4.762 4.640 0.001 0.000 0.245 176 D C 1.046 177.263 176.300 -0.137 0.000 1.196 176 D CA -0.455 53.471 54.000 -0.123 0.000 0.962 176 D CB 0.604 41.347 40.800 -0.094 0.000 1.127 176 D HN 0.477 nan 8.370 nan 0.000 0.471 177 R N 0.056 120.500 120.500 -0.094 0.000 2.134 177 R HA -0.241 4.100 4.340 0.001 0.000 0.248 177 R C 1.979 178.230 176.300 -0.082 0.000 1.143 177 R CA 1.971 58.026 56.100 -0.076 0.000 0.957 177 R CB -0.424 29.866 30.300 -0.017 0.000 0.867 177 R HN 0.687 nan 8.270 nan 0.000 0.441 178 E N 0.582 120.732 120.200 -0.084 0.000 2.331 178 E HA -0.223 4.128 4.350 0.001 0.000 0.199 178 E C 1.330 177.828 176.600 -0.170 0.000 1.008 178 E CA 1.166 57.519 56.400 -0.078 0.000 0.843 178 E CB 0.212 29.905 29.700 -0.011 0.000 0.761 178 E HN 0.464 nan 8.360 nan 0.000 0.507 179 Q N -0.874 118.752 119.800 -0.290 0.000 2.280 179 Q HA 0.168 4.509 4.340 0.001 0.000 0.228 179 Q C 0.270 176.202 176.000 -0.113 0.000 0.857 179 Q CA -0.245 55.337 55.803 -0.369 0.000 0.939 179 Q CB 0.872 29.118 28.738 -0.820 0.000 1.114 179 Q HN -0.069 nan 8.270 nan 0.000 0.514 180 R N 2.584 123.039 120.500 -0.075 0.000 2.368 180 R HA 0.263 4.604 4.340 0.001 0.000 0.302 180 R C -2.432 173.867 176.300 -0.002 0.000 1.002 180 R CA -2.000 54.049 56.100 -0.085 0.000 0.929 180 R CB 0.804 30.878 30.300 -0.376 0.000 1.073 180 R HN -0.098 nan 8.270 nan 0.000 0.464 181 P HA 0.002 nan 4.420 nan 0.000 0.272 181 P C -0.590 176.890 177.300 0.301 0.000 1.223 181 P CA 0.006 63.207 63.100 0.169 0.000 0.784 181 P CB 0.649 32.454 31.700 0.175 0.000 0.923 182 L N 2.701 124.055 121.223 0.218 0.000 2.416 182 L HA 0.128 4.469 4.340 0.001 0.000 0.272 182 L C 1.776 178.802 176.870 0.260 0.000 1.161 182 L CA -0.125 54.911 54.840 0.327 0.000 0.845 182 L CB 0.129 42.433 42.059 0.408 0.000 1.119 182 L HN 0.370 nan 8.230 nan 0.000 0.464 183 L N 3.388 124.791 121.223 0.300 0.000 2.575 183 L HA 0.235 4.575 4.340 0.001 0.000 0.228 183 L C -0.237 176.794 176.870 0.269 0.000 1.075 183 L CA 0.209 55.110 54.840 0.102 0.000 0.867 183 L CB 0.811 42.695 42.059 -0.292 0.000 1.097 183 L HN 0.317 nan 8.230 nan 0.000 0.485 184 V N 1.093 121.178 119.914 0.286 0.000 2.569 184 V HA 0.189 4.310 4.120 0.001 0.000 0.301 184 V C -0.601 175.560 176.094 0.112 0.000 1.044 184 V CA -0.954 61.439 62.300 0.156 0.000 0.874 184 V CB 2.020 33.887 31.823 0.073 0.000 1.002 184 V HN 0.199 nan 8.190 nan 0.000 0.424 185 K N 2.860 123.191 120.400 -0.113 0.000 2.118 185 K HA 0.512 4.833 4.320 0.001 0.000 0.264 185 K C 0.064 176.621 176.600 -0.072 0.000 1.000 185 K CA -0.525 55.676 56.287 -0.143 0.000 0.929 185 K CB 0.600 32.831 32.500 -0.447 0.000 1.021 185 K HN 0.533 nan 8.250 nan 0.000 0.463 186 D N 0.641 121.027 120.400 -0.023 0.000 2.737 186 D HA -0.179 4.462 4.640 0.001 0.000 0.233 186 D C -0.878 175.425 176.300 0.006 0.000 1.155 186 D CA 1.471 55.467 54.000 -0.007 0.000 0.667 186 D CB -0.626 40.158 40.800 -0.027 0.000 1.060 186 D HN 0.750 nan 8.370 nan 0.000 0.427 187 D N -1.349 119.067 120.400 0.026 0.000 2.445 187 D HA 0.375 5.016 4.640 0.001 0.000 0.236 187 D C 0.811 177.146 176.300 0.058 0.000 1.315 187 D CA 0.128 54.148 54.000 0.033 0.000 0.924 187 D CB 0.500 41.313 40.800 0.022 0.000 1.447 187 D HN -0.018 nan 8.370 nan 0.000 0.532 188 A N 2.430 125.286 122.820 0.060 0.000 2.019 188 A HA -0.153 4.168 4.320 0.001 0.000 0.219 188 A C 1.631 179.261 177.584 0.077 0.000 1.164 188 A CA 1.421 53.503 52.037 0.075 0.000 0.644 188 A CB 0.003 19.041 19.000 0.063 0.000 0.805 188 A HN 0.432 nan 8.150 nan 0.000 0.449 189 D N -0.223 120.212 120.400 0.059 0.000 2.123 189 D HA 0.063 4.704 4.640 0.001 0.000 0.200 189 D C 2.282 178.619 176.300 0.061 0.000 0.976 189 D CA 1.423 55.456 54.000 0.055 0.000 0.831 189 D CB -0.322 40.501 40.800 0.039 0.000 0.974 189 D HN 0.383 nan 8.370 nan 0.000 0.469 190 A N 0.573 123.425 122.820 0.054 0.000 1.873 190 A HA -0.205 4.116 4.320 0.001 0.000 0.215 190 A C 1.943 179.567 177.584 0.067 0.000 1.186 190 A CA 2.028 54.093 52.037 0.047 0.000 0.616 190 A CB -0.790 18.230 19.000 0.032 0.000 0.823 190 A HN 0.200 nan 8.150 nan 0.000 0.442 191 D N -0.023 120.438 120.400 0.102 0.000 2.103 191 D HA -0.193 4.448 4.640 0.001 0.000 0.190 191 D C 1.280 177.726 176.300 0.242 0.000 0.997 191 D CA 1.834 55.938 54.000 0.174 0.000 0.833 191 D CB -0.170 40.759 40.800 0.215 0.000 0.961 191 D HN 0.383 nan 8.370 nan 0.000 0.447 192 D N -0.206 120.313 120.400 0.199 0.000 2.123 192 D HA -0.145 4.496 4.640 0.001 0.000 0.196 192 D C 1.975 178.383 176.300 0.181 0.000 0.992 192 D CA 1.438 55.559 54.000 0.201 0.000 0.833 192 D CB -0.628 40.247 40.800 0.125 0.000 0.954 192 D HN 0.354 nan 8.370 nan 0.000 0.455 193 A N 0.670 123.560 122.820 0.115 0.000 1.933 193 A HA -0.197 4.124 4.320 0.001 0.000 0.218 193 A C 2.151 179.771 177.584 0.060 0.000 1.175 193 A CA 1.873 53.957 52.037 0.077 0.000 0.628 193 A CB -0.476 18.551 19.000 0.045 0.000 0.814 193 A HN 0.188 nan 8.150 nan 0.000 0.444 194 E N -0.979 119.242 120.200 0.035 0.000 2.072 194 E HA -0.177 4.174 4.350 0.001 0.000 0.191 194 E C 1.701 178.250 176.600 -0.084 0.000 0.985 194 E CA 1.419 57.776 56.400 -0.071 0.000 0.801 194 E CB -0.463 29.146 29.700 -0.151 0.000 0.750 194 E HN 0.721 nan 8.360 nan 0.000 0.452 195 W N 0.636 121.910 121.300 -0.043 0.000 2.381 195 W HA -0.063 4.598 4.660 0.001 0.000 0.301 195 W C 2.084 178.615 176.519 0.021 0.000 1.205 195 W CA 1.158 58.450 57.345 -0.088 0.000 1.285 195 W CB -0.291 29.153 29.460 -0.028 0.000 1.133 195 W HN 0.230 nan 8.180 nan 0.000 0.521 196 D N -0.068 120.515 120.400 0.305 0.000 2.149 196 D HA -0.220 4.420 4.640 0.001 0.000 0.198 196 D C 2.152 178.535 176.300 0.139 0.000 0.990 196 D CA 1.404 55.542 54.000 0.230 0.000 0.839 196 D CB -0.107 40.778 40.800 0.142 0.000 0.948 196 D HN -0.041 nan 8.370 nan 0.000 0.460 197 R N -0.372 120.166 120.500 0.064 0.000 2.062 197 R HA -0.065 4.276 4.340 0.001 0.000 0.231 197 R C 2.415 178.690 176.300 -0.041 0.000 1.136 197 R CA 1.057 57.154 56.100 -0.005 0.000 0.948 197 R CB -0.286 29.989 30.300 -0.041 0.000 0.845 197 R HN 0.249 nan 8.270 nan 0.000 0.430 198 L N -0.402 120.769 121.223 -0.088 0.000 2.005 198 L HA -0.200 4.141 4.340 0.001 0.000 0.207 198 L C 2.435 179.267 176.870 -0.064 0.000 1.072 198 L CA 1.259 56.002 54.840 -0.162 0.000 0.744 198 L CB -0.769 41.091 42.059 -0.330 0.000 0.895 198 L HN 0.203 nan 8.230 nan 0.000 0.433 199 Y N 0.634 120.965 120.300 0.052 0.000 2.102 199 Y HA -0.335 4.216 4.550 0.002 0.000 0.280 199 Y C 2.920 178.809 175.900 -0.019 0.000 1.178 199 Y CA 1.907 60.032 58.100 0.043 0.000 1.146 199 Y CB -1.346 37.160 38.460 0.078 0.000 0.968 199 Y HN 0.167 nan 8.280 nan 0.000 0.504 200 T N -0.472 114.162 114.554 0.133 0.000 2.746 200 T HA -0.216 4.135 4.350 0.001 0.000 0.267 200 T C 1.994 176.659 174.700 -0.058 0.000 1.039 200 T CA 1.732 63.855 62.100 0.038 0.000 1.142 200 T CB -0.222 68.658 68.868 0.021 0.000 0.866 200 T HN 0.228 nan 8.240 nan 0.000 0.444 201 K N 0.746 121.062 120.400 -0.141 0.000 2.057 201 K HA -0.005 4.316 4.320 0.001 0.000 0.207 201 K C 2.414 178.699 176.600 -0.525 0.000 1.049 201 K CA 1.181 57.257 56.287 -0.352 0.000 0.931 201 K CB -0.251 32.022 32.500 -0.378 0.000 0.714 201 K HN 0.279 nan 8.250 nan 0.000 0.440 202 A N 0.855 123.508 122.820 -0.278 0.000 1.969 202 A HA -0.145 4.176 4.320 0.001 0.000 0.218 202 A C 1.718 179.329 177.584 0.045 0.000 1.169 202 A CA 1.405 53.353 52.037 -0.148 0.000 0.635 202 A CB -0.318 18.692 19.000 0.018 0.000 0.810 202 A HN 0.406 nan 8.150 nan 0.000 0.445 203 E N 0.226 120.473 120.200 0.079 0.000 2.150 203 E HA -0.134 4.217 4.350 0.001 0.000 0.193 203 E C 2.290 178.967 176.600 0.127 0.000 0.985 203 E CA 1.325 57.814 56.400 0.148 0.000 0.814 203 E CB -0.113 29.646 29.700 0.099 0.000 0.752 203 E HN 0.801 nan 8.360 nan 0.000 0.466 204 S N -0.133 115.584 115.700 0.028 0.000 2.436 204 S HA -0.113 4.358 4.470 0.001 0.000 0.228 204 S C 1.804 176.506 174.600 0.171 0.000 1.014 204 S CA 0.366 58.602 58.200 0.060 0.000 0.950 204 S CB -0.304 62.892 63.200 -0.005 0.000 0.784 204 S HN 0.182 nan 8.310 nan 0.000 0.504 205 Y N 0.755 121.065 120.300 0.018 0.000 2.181 205 Y HA 0.157 4.707 4.550 0.001 0.000 0.288 205 Y C 1.875 177.787 175.900 0.020 0.000 1.146 205 Y CA -0.142 57.928 58.100 -0.049 0.000 1.164 205 Y CB -0.951 37.395 38.460 -0.190 0.000 0.982 205 Y HN 0.308 nan 8.280 nan 0.000 0.515 206 F N 0.071 120.176 119.950 0.258 0.000 2.789 206 F HA 0.060 4.588 4.527 0.001 0.000 0.300 206 F C 0.707 176.626 175.800 0.197 0.000 1.132 206 F CA 0.144 58.291 58.000 0.246 0.000 1.404 206 F CB -0.247 38.923 39.000 0.283 0.000 1.114 206 F HN -0.039 nan 8.300 nan 0.000 0.584 207 Q N 0.645 120.643 119.800 0.330 0.000 2.464 207 Q HA -0.181 4.160 4.340 0.001 0.000 0.304 207 Q C -0.023 176.076 176.000 0.165 0.000 1.401 207 Q CA 0.666 56.587 55.803 0.196 0.000 0.806 207 Q CB -2.566 26.264 28.738 0.153 0.000 1.134 207 Q HN 0.204 nan 8.270 nan 0.000 0.411 208 T N -0.143 114.521 114.554 0.183 0.000 2.901 208 T HA 0.548 4.899 4.350 0.001 0.000 0.301 208 T C 0.768 175.507 174.700 0.066 0.000 1.012 208 T CA 0.469 62.642 62.100 0.121 0.000 1.135 208 T CB 1.477 70.426 68.868 0.136 0.000 0.936 208 T HN 0.504 nan 8.240 nan 0.000 0.539 209 G N 0.503 109.326 108.800 0.038 0.000 2.682 209 G HA2 0.551 4.512 3.960 0.001 0.000 0.290 209 G HA3 0.551 4.512 3.960 0.001 0.000 0.290 209 G C -0.089 174.825 174.900 0.023 0.000 1.425 209 G CA -0.516 44.597 45.100 0.022 0.000 0.807 209 G HN 0.650 nan 8.290 nan 0.000 0.482 210 T N -2.385 112.182 114.554 0.022 0.000 3.442 210 T HA 0.314 4.665 4.350 0.001 0.000 0.295 210 T C 0.005 174.729 174.700 0.040 0.000 1.007 210 T CA 0.520 62.643 62.100 0.039 0.000 0.962 210 T CB 0.325 69.218 68.868 0.042 0.000 1.187 210 T HN 0.545 nan 8.240 nan 0.000 0.490 211 D N 0.079 120.486 120.400 0.013 0.000 2.510 211 D HA 0.029 4.669 4.640 0.001 0.000 0.234 211 D C 1.286 177.542 176.300 -0.074 0.000 1.178 211 D CA -0.048 53.941 54.000 -0.018 0.000 0.816 211 D CB -0.162 40.618 40.800 -0.035 0.000 1.143 211 D HN 0.288 nan 8.370 nan 0.000 0.526 212 Q N -0.246 119.508 119.800 -0.075 0.000 2.364 212 Q HA 0.090 4.431 4.340 0.001 0.000 0.209 212 Q C 0.290 175.998 176.000 -0.487 0.000 0.977 212 Q CA 1.047 56.690 55.803 -0.266 0.000 0.885 212 Q CB -0.348 28.213 28.738 -0.295 0.000 0.941 212 Q HN 0.311 nan 8.270 nan 0.000 0.464 213 F N -0.390 119.401 119.950 -0.264 0.000 2.764 213 F HA 0.233 4.761 4.527 0.001 0.000 0.310 213 F C 1.060 176.654 175.800 -0.344 0.000 1.124 213 F CA -0.580 57.221 58.000 -0.332 0.000 1.252 213 F CB 0.427 39.159 39.000 -0.446 0.000 1.010 213 F HN -0.004 nan 8.300 nan 0.000 0.518 214 K N -0.070 120.256 120.400 -0.122 0.000 2.283 214 K HA -0.048 4.273 4.320 0.001 0.000 0.202 214 K C 0.770 177.269 176.600 -0.168 0.000 1.048 214 K CA 1.419 57.673 56.287 -0.055 0.000 0.948 214 K CB -0.086 32.365 32.500 -0.082 0.000 0.742 214 K HN 0.274 nan 8.250 nan 0.000 0.458 215 E N 1.496 121.504 120.200 -0.321 0.000 2.481 215 E HA 0.017 4.368 4.350 0.001 0.000 0.198 215 E C -0.229 176.257 176.600 -0.189 0.000 1.027 215 E CA -0.099 55.930 56.400 -0.618 0.000 0.900 215 E CB 0.818 30.138 29.700 -0.632 0.000 0.993 215 E HN 0.232 nan 8.360 nan 0.000 0.482 216 S N 0.979 116.688 115.700 0.015 0.000 2.510 216 S HA 0.141 4.612 4.470 0.001 0.000 0.279 216 S C 1.281 175.986 174.600 0.175 0.000 1.284 216 S CA -0.447 57.821 58.200 0.114 0.000 1.059 216 S CB 0.440 63.751 63.200 0.184 0.000 0.901 216 S HN 0.112 nan 8.310 nan 0.000 0.491 217 I N 4.781 125.331 120.570 -0.033 0.000 2.252 217 I HA -0.152 4.019 4.170 0.001 0.000 0.245 217 I C 2.766 178.710 176.117 -0.288 0.000 1.102 217 I CA 1.079 62.112 61.300 -0.445 0.000 1.385 217 I CB -0.261 37.238 38.000 -0.835 0.000 1.064 217 I HN 0.703 nan 8.210 nan 0.000 0.414 218 R N -0.373 120.048 120.500 -0.133 0.000 2.083 218 R HA -0.238 4.103 4.340 0.001 0.000 0.237 218 R C 2.381 178.712 176.300 0.053 0.000 1.137 218 R CA 1.852 57.922 56.100 -0.049 0.000 0.951 218 R CB -0.698 29.592 30.300 -0.017 0.000 0.851 218 R HN 0.406 nan 8.270 nan 0.000 0.434 219 H N 1.242 120.328 119.070 0.027 0.000 2.251 219 H HA -0.098 4.459 4.556 0.001 0.000 0.294 219 H C 1.821 177.223 175.328 0.122 0.000 1.078 219 H CA 2.138 58.228 56.048 0.069 0.000 1.246 219 H CB -0.221 29.612 29.762 0.117 0.000 1.358 219 H HN 0.147 nan 8.280 nan 0.000 0.488 220 N N 0.076 118.909 118.700 0.223 0.000 2.166 220 N HA -0.148 4.593 4.740 0.001 0.000 0.186 220 N C 2.111 177.783 175.510 0.270 0.000 1.019 220 N CA 1.147 54.357 53.050 0.266 0.000 0.856 220 N CB -0.332 38.507 38.487 0.587 0.000 0.993 220 N HN 0.299 nan 8.380 nan 0.000 0.426 221 L N 1.365 122.758 121.223 0.284 0.000 2.013 221 L HA -0.150 4.191 4.340 0.001 0.000 0.212 221 L C 2.144 179.086 176.870 0.120 0.000 1.073 221 L CA 1.440 56.448 54.840 0.279 0.000 0.753 221 L CB -0.489 41.658 42.059 0.146 0.000 0.890 221 L HN -0.099 nan 8.230 nan 0.000 0.432 222 V N -1.059 118.874 119.914 0.032 0.000 2.407 222 V HA -0.203 3.918 4.120 0.001 0.000 0.245 222 V C 2.380 178.417 176.094 -0.096 0.000 1.041 222 V CA 1.335 63.619 62.300 -0.026 0.000 1.040 222 V CB -0.450 31.336 31.823 -0.062 0.000 0.671 222 V HN 0.484 nan 8.190 nan 0.000 0.455 223 L N 1.205 122.337 121.223 -0.152 0.000 1.990 223 L HA -0.223 4.117 4.340 0.001 0.000 0.213 223 L C 2.212 179.037 176.870 -0.074 0.000 1.072 223 L CA 2.232 56.979 54.840 -0.155 0.000 0.755 223 L CB -0.886 41.032 42.059 -0.236 0.000 0.889 223 L HN 0.346 nan 8.230 nan 0.000 0.432 224 N N -0.447 118.252 118.700 -0.002 0.000 2.216 224 N HA -0.178 4.563 4.740 0.001 0.000 0.183 224 N C 1.818 177.315 175.510 -0.021 0.000 1.017 224 N CA 1.188 54.247 53.050 0.015 0.000 0.861 224 N CB -0.329 38.189 38.487 0.051 0.000 0.986 224 N HN 0.278 nan 8.380 nan 0.000 0.428 225 K N 1.505 121.890 120.400 -0.025 0.000 2.002 225 K HA 0.049 4.370 4.320 0.001 0.000 0.209 225 K C 1.954 178.498 176.600 -0.093 0.000 1.048 225 K CA 0.964 57.227 56.287 -0.039 0.000 0.930 225 K CB -0.516 31.979 32.500 -0.008 0.000 0.714 225 K HN 0.106 nan 8.250 nan 0.000 0.438 226 L N 0.062 121.172 121.223 -0.188 0.000 2.093 226 L HA -0.161 4.180 4.340 0.001 0.000 0.208 226 L C 2.238 178.938 176.870 -0.284 0.000 1.085 226 L CA 1.658 56.274 54.840 -0.374 0.000 0.755 226 L CB -0.688 40.811 42.059 -0.933 0.000 0.904 226 L HN 0.279 nan 8.230 nan 0.000 0.435 227 T N -0.851 113.601 114.554 -0.170 0.000 2.720 227 T HA -0.267 4.084 4.350 0.001 0.000 0.268 227 T C 1.763 176.515 174.700 0.086 0.000 1.037 227 T CA 1.783 63.935 62.100 0.086 0.000 1.144 227 T CB -0.109 68.817 68.868 0.097 0.000 0.864 227 T HN 0.410 nan 8.240 nan 0.000 0.444 228 E N 0.586 120.792 120.200 0.011 0.000 2.047 228 E HA -0.165 4.186 4.350 0.001 0.000 0.191 228 E C 2.140 178.719 176.600 -0.034 0.000 0.987 228 E CA 0.897 57.294 56.400 -0.006 0.000 0.799 228 E CB 0.042 29.723 29.700 -0.031 0.000 0.752 228 E HN 0.288 nan 8.360 nan 0.000 0.449 229 E N -0.268 119.878 120.200 -0.091 0.000 2.160 229 E HA -0.184 4.167 4.350 0.001 0.000 0.195 229 E C 0.887 177.285 176.600 -0.336 0.000 0.991 229 E CA 1.108 57.366 56.400 -0.236 0.000 0.810 229 E CB -0.093 29.410 29.700 -0.329 0.000 0.742 229 E HN 0.517 nan 8.360 nan 0.000 0.466 230 Y N 0.078 120.409 120.300 0.051 0.000 2.681 230 Y HA 0.191 4.742 4.550 0.001 0.000 0.267 230 Y C 0.495 176.459 175.900 0.107 0.000 1.166 230 Y CA -0.472 57.700 58.100 0.120 0.000 1.209 230 Y CB 0.538 39.167 38.460 0.283 0.000 1.161 230 Y HN -0.321 nan 8.280 nan 0.000 0.534 231 K N 0.977 121.469 120.400 0.154 0.000 2.466 231 K HA 0.027 4.348 4.320 0.001 0.000 0.278 231 K C 1.051 177.715 176.600 0.106 0.000 1.048 231 K CA 1.279 57.637 56.287 0.118 0.000 1.088 231 K CB 0.044 32.580 32.500 0.061 0.000 0.884 231 K HN 0.687 nan 8.250 nan 0.000 0.478 232 G N 3.153 112.016 108.800 0.107 0.000 2.176 232 G HA2 -0.285 3.676 3.960 0.001 0.000 0.252 232 G HA3 -0.285 3.676 3.960 0.001 0.000 0.252 232 G C 0.437 175.396 174.900 0.098 0.000 1.024 232 G CA 0.700 45.851 45.100 0.085 0.000 0.755 232 G HN 0.760 nan 8.290 nan 0.000 0.507 233 Q N -1.831 118.053 119.800 0.139 0.000 2.506 233 Q HA 0.197 4.538 4.340 0.001 0.000 0.239 233 Q C 0.975 177.042 176.000 0.111 0.000 0.782 233 Q CA 0.088 55.978 55.803 0.145 0.000 0.972 233 Q CB 1.181 30.051 28.738 0.220 0.000 1.304 233 Q HN 0.534 nan 8.270 nan 0.000 0.534 234 R N 1.003 121.569 120.500 0.111 0.000 2.643 234 R HA 0.379 4.720 4.340 0.001 0.000 0.269 234 R C -1.745 174.550 176.300 -0.009 0.000 1.037 234 R CA -0.717 55.357 56.100 -0.044 0.000 0.894 234 R CB 1.653 31.703 30.300 -0.417 0.000 1.238 234 R HN -0.042 nan 8.270 nan 0.000 0.459 235 D N 1.668 122.009 120.400 -0.098 0.000 2.193 235 D HA 0.378 5.018 4.640 0.001 0.000 0.249 235 D C -0.647 175.498 176.300 -0.257 0.000 1.034 235 D CA 0.028 54.004 54.000 -0.039 0.000 0.902 235 D CB 1.063 41.861 40.800 -0.004 0.000 1.182 235 D HN 0.159 nan 8.370 nan 0.000 0.436 236 F N 0.688 120.647 119.950 0.015 0.000 2.495 236 F HA 0.319 4.847 4.527 0.002 0.000 0.327 236 F C 0.726 176.540 175.800 0.023 0.000 1.103 236 F CA -0.606 57.397 58.000 0.004 0.000 0.949 236 F CB 1.786 40.790 39.000 0.006 0.000 1.142 236 F HN 0.221 nan 8.300 nan 0.000 0.457 237 Q N 0.759 120.647 119.800 0.147 0.000 2.857 237 Q HA 0.412 4.752 4.340 0.001 0.000 0.319 237 Q C -1.387 174.714 176.000 0.168 0.000 0.963 237 Q CA -1.260 54.627 55.803 0.141 0.000 0.770 237 Q CB 1.689 30.480 28.738 0.088 0.000 1.492 237 Q HN 0.622 nan 8.270 nan 0.000 0.493 238 Q N 0.657 120.577 119.800 0.200 0.000 2.340 238 Q HA 0.298 4.639 4.340 0.001 0.000 0.249 238 Q C -0.667 175.396 176.000 0.105 0.000 0.957 238 Q CA -0.390 55.548 55.803 0.224 0.000 0.882 238 Q CB 0.669 29.515 28.738 0.180 0.000 1.235 238 Q HN 0.602 nan 8.270 nan 0.000 0.439 239 I N 5.525 126.132 120.570 0.061 0.000 2.598 239 I HA 0.046 4.217 4.170 0.001 0.000 0.284 239 I C -1.970 174.158 176.117 0.018 0.000 1.140 239 I CA -1.776 59.539 61.300 0.024 0.000 1.420 239 I CB 0.460 38.442 38.000 -0.031 0.000 1.387 239 I HN 0.469 nan 8.210 nan 0.000 0.553 240 P HA 0.140 nan 4.420 nan 0.000 0.263 240 P C -0.906 176.387 177.300 -0.012 0.000 1.195 240 P CA 0.360 63.461 63.100 0.002 0.000 0.762 240 P CB 0.372 32.060 31.700 -0.020 0.000 0.799 241 L N 2.448 123.676 121.223 0.008 0.000 2.386 241 L HA 0.629 4.969 4.340 0.001 0.000 0.271 241 L C 0.254 177.124 176.870 0.000 0.000 0.993 241 L CA -1.130 53.713 54.840 0.006 0.000 0.819 241 L CB 2.152 44.281 42.059 0.116 0.000 1.294 241 L HN 0.228 nan 8.230 nan 0.000 0.414 242 A N 3.148 125.929 122.820 -0.064 0.000 2.666 242 A HA 0.783 5.104 4.320 0.001 0.000 0.312 242 A C -0.035 177.590 177.584 0.069 0.000 1.471 242 A CA 0.037 52.081 52.037 0.012 0.000 1.134 242 A CB -0.243 18.711 19.000 -0.076 0.000 1.129 242 A HN 0.791 nan 8.150 nan 0.000 0.539 243 A N 1.914 124.745 122.820 0.017 0.000 2.583 243 A HA 0.685 5.005 4.320 0.001 0.000 0.298 243 A C -0.497 176.989 177.584 -0.164 0.000 1.055 243 A CA -0.447 51.507 52.037 -0.137 0.000 0.714 243 A CB 0.649 19.428 19.000 -0.368 0.000 1.277 243 A HN 0.616 nan 8.150 nan 0.000 0.406 244 T N 1.687 116.119 114.554 -0.204 0.000 2.812 244 T HA 0.506 4.857 4.350 0.001 0.000 0.282 244 T C 0.010 174.557 174.700 -0.254 0.000 0.990 244 T CA -0.420 61.578 62.100 -0.171 0.000 0.960 244 T CB 1.186 70.008 68.868 -0.076 0.000 0.948 244 T HN 0.690 nan 8.240 nan 0.000 0.438 245 R N 2.500 122.839 120.500 -0.268 0.000 2.298 245 R HA 0.244 4.584 4.340 0.001 0.000 0.310 245 R C 0.802 177.013 176.300 -0.147 0.000 1.068 245 R CA -0.587 55.339 56.100 -0.290 0.000 0.957 245 R CB 0.376 30.464 30.300 -0.354 0.000 1.003 245 R HN 0.393 nan 8.270 nan 0.000 0.454 246 R N 1.235 121.703 120.500 -0.053 0.000 2.210 246 R HA 0.089 4.430 4.340 0.001 0.000 0.203 246 R C 0.280 176.569 176.300 -0.019 0.000 1.010 246 R CA 0.695 56.798 56.100 0.006 0.000 1.008 246 R CB -0.027 30.332 30.300 0.099 0.000 0.923 246 R HN 0.770 nan 8.270 nan 0.000 0.469 247 S N -1.973 113.710 115.700 -0.027 0.000 2.656 247 S HA 0.258 4.729 4.470 0.001 0.000 0.265 247 S C -2.718 171.847 174.600 -0.057 0.000 1.110 247 S CA -0.990 57.191 58.200 -0.032 0.000 0.821 247 S CB 1.583 64.782 63.200 -0.001 0.000 1.099 247 S HN -0.241 nan 8.310 nan 0.000 0.471 248 P HA 0.050 nan 4.420 nan 0.000 0.226 248 P C 0.960 178.230 177.300 -0.050 0.000 1.146 248 P CA 1.778 64.837 63.100 -0.069 0.000 0.773 248 P CB -0.225 31.454 31.700 -0.034 0.000 0.772 249 T N -6.873 107.685 114.554 0.007 0.000 3.111 249 T HA 0.309 4.660 4.350 0.001 0.000 0.284 249 T C -0.250 174.522 174.700 0.120 0.000 0.983 249 T CA -0.340 61.792 62.100 0.053 0.000 0.900 249 T CB -0.517 68.406 68.868 0.092 0.000 1.132 249 T HN -0.117 nan 8.240 nan 0.000 0.531 250 F N 1.446 121.326 119.950 -0.117 0.000 2.588 250 F HA 0.643 5.171 4.527 0.001 0.000 0.318 250 F C -1.691 173.963 175.800 -0.243 0.000 1.155 250 F CA -1.015 56.911 58.000 -0.124 0.000 0.967 250 F CB 1.941 40.892 39.000 -0.081 0.000 1.236 250 F HN -0.107 nan 8.300 nan 0.000 0.455 251 V N 5.101 124.476 119.914 -0.899 0.000 2.448 251 V HA 0.305 4.426 4.120 0.001 0.000 0.295 251 V C -0.456 174.969 176.094 -1.115 0.000 1.025 251 V CA -0.829 60.895 62.300 -0.959 0.000 0.859 251 V CB 1.711 32.773 31.823 -1.268 0.000 0.988 251 V HN 0.724 nan 8.190 nan 0.000 0.431 252 E N 4.228 124.077 120.200 -0.585 0.000 2.052 252 E HA 0.203 4.554 4.350 0.001 0.000 0.283 252 E C -1.260 175.134 176.600 -0.344 0.000 1.071 252 E CA -0.514 55.723 56.400 -0.271 0.000 0.851 252 E CB 0.536 30.253 29.700 0.028 0.000 1.066 252 E HN 0.626 nan 8.360 nan 0.000 0.396 253 W N 2.829 124.026 121.300 -0.171 0.000 2.316 253 W HA 0.215 4.876 4.660 0.001 0.000 0.321 253 W C 0.525 177.086 176.519 0.069 0.000 1.203 253 W CA -0.604 56.637 57.345 -0.172 0.000 1.214 253 W CB 1.183 30.332 29.460 -0.518 0.000 1.169 253 W HN 0.332 nan 8.180 nan 0.000 0.561 254 S N 1.398 117.337 115.700 0.398 0.000 2.655 254 S HA 0.682 5.153 4.470 0.001 0.000 0.265 254 S C 0.115 175.155 174.600 0.733 0.000 1.240 254 S CA -0.527 57.961 58.200 0.481 0.000 0.986 254 S CB 1.259 64.752 63.200 0.489 0.000 0.985 254 S HN 0.536 nan 8.310 nan 0.000 0.562 255 S N -0.800 115.276 115.700 0.626 0.000 2.694 255 S HA 0.642 5.112 4.470 0.001 0.000 0.273 255 S C 0.679 175.469 174.600 0.317 0.000 1.180 255 S CA -0.275 58.221 58.200 0.492 0.000 0.864 255 S CB 0.410 63.838 63.200 0.379 0.000 1.198 255 S HN 0.748 nan 8.310 nan 0.000 0.499 256 A N 1.568 124.468 122.820 0.132 0.000 1.908 256 A HA -0.122 4.199 4.320 0.001 0.000 0.218 256 A C 1.987 179.608 177.584 0.062 0.000 1.181 256 A CA 2.012 54.085 52.037 0.060 0.000 0.627 256 A CB -1.528 17.481 19.000 0.015 0.000 0.818 256 A HN 0.856 nan 8.150 nan 0.000 0.445 257 N N -0.408 118.337 118.700 0.075 0.000 2.272 257 N HA -0.151 4.590 4.740 0.001 0.000 0.185 257 N C 1.421 176.951 175.510 0.033 0.000 1.014 257 N CA 1.925 54.993 53.050 0.031 0.000 0.870 257 N CB -0.175 38.343 38.487 0.052 0.000 0.975 257 N HN 0.474 nan 8.380 nan 0.000 0.433 258 T N 0.166 114.789 114.554 0.116 0.000 2.821 258 T HA -0.044 4.307 4.350 0.001 0.000 0.267 258 T C 2.059 176.793 174.700 0.056 0.000 1.046 258 T CA 0.986 63.163 62.100 0.128 0.000 1.139 258 T CB -0.098 68.927 68.868 0.262 0.000 0.871 258 T HN 0.047 nan 8.240 nan 0.000 0.454 259 V N -0.413 119.507 119.914 0.011 0.000 2.302 259 V HA 0.184 4.305 4.120 0.001 0.000 0.243 259 V C 0.492 176.542 176.094 -0.074 0.000 1.036 259 V CA 0.920 63.148 62.300 -0.121 0.000 1.020 259 V CB -0.293 31.399 31.823 -0.218 0.000 0.657 259 V HN 0.458 nan 8.190 nan 0.000 0.453 260 F N 1.109 120.926 119.950 -0.222 0.000 2.588 260 F HA 0.429 4.957 4.527 0.002 0.000 0.314 260 F C 0.170 175.851 175.800 -0.198 0.000 1.134 260 F CA -1.796 56.047 58.000 -0.261 0.000 0.961 260 F CB 1.609 40.396 39.000 -0.355 0.000 1.239 260 F HN 0.174 nan 8.300 nan 0.000 0.448 261 D N 4.556 124.447 120.400 -0.849 0.000 2.355 261 D HA 0.016 4.657 4.640 0.001 0.000 0.218 261 D C 1.147 177.132 176.300 -0.526 0.000 1.004 261 D CA 0.834 54.526 54.000 -0.514 0.000 0.880 261 D CB 0.018 40.591 40.800 -0.379 0.000 0.911 261 D HN 0.676 nan 8.370 nan 0.000 0.528 262 L N -1.638 119.026 121.223 -0.932 0.000 4.759 262 L HA -0.229 4.111 4.340 0.001 0.000 0.419 262 L C -0.353 176.475 176.870 -0.071 0.000 1.093 262 L CA 0.422 55.055 54.840 -0.345 0.000 1.037 262 L CB -1.194 40.835 42.059 -0.050 0.000 2.095 262 L HN 0.240 nan 8.230 nan 0.000 0.739 263 Q N 0.879 120.545 119.800 -0.223 0.000 2.314 263 Q HA 0.216 4.557 4.340 0.001 0.000 0.258 263 Q C 0.341 176.413 176.000 0.121 0.000 0.954 263 Q CA -0.168 55.603 55.803 -0.053 0.000 0.890 263 Q CB 0.571 29.244 28.738 -0.108 0.000 1.210 263 Q HN 0.124 nan 8.270 nan 0.000 0.410 264 N N 1.917 120.680 118.700 0.105 0.000 2.412 264 N HA 0.025 4.766 4.740 0.001 0.000 0.254 264 N C -0.368 175.214 175.510 0.121 0.000 1.232 264 N CA 0.517 53.631 53.050 0.106 0.000 0.880 264 N CB 0.494 38.955 38.487 -0.043 0.000 1.076 264 N HN 0.245 nan 8.380 nan 0.000 0.458 265 R N 1.679 122.286 120.500 0.178 0.000 2.750 265 R HA 0.511 4.852 4.340 0.001 0.000 0.281 265 R C -2.397 173.997 176.300 0.157 0.000 0.972 265 R CA -1.635 54.559 56.100 0.157 0.000 0.912 265 R CB 1.911 32.332 30.300 0.201 0.000 1.187 265 R HN 0.416 nan 8.270 nan 0.000 0.464 266 P HA 0.152 nan 4.420 nan 0.000 0.278 266 P C -1.476 175.875 177.300 0.085 0.000 1.238 266 P CA -0.453 62.731 63.100 0.141 0.000 0.794 266 P CB 0.869 32.691 31.700 0.203 0.000 0.955 267 N N -1.008 117.724 118.700 0.054 0.000 2.697 267 N HA 0.321 5.062 4.740 0.001 0.000 0.272 267 N C 0.667 176.185 175.510 0.014 0.000 1.381 267 N CA -0.813 52.254 53.050 0.027 0.000 0.797 267 N CB -0.510 37.983 38.487 0.010 0.000 1.523 267 N HN 0.058 nan 8.380 nan 0.000 0.518 268 T N -0.767 113.790 114.554 0.005 0.000 2.803 268 T HA -0.134 4.217 4.350 0.001 0.000 0.269 268 T C 0.285 174.978 174.700 -0.012 0.000 1.052 268 T CA 1.891 63.990 62.100 -0.003 0.000 1.136 268 T CB -0.550 68.315 68.868 -0.005 0.000 0.864 268 T HN 0.551 nan 8.240 nan 0.000 0.467 269 D N 1.115 121.506 120.400 -0.016 0.000 2.224 269 D HA 0.204 4.845 4.640 0.001 0.000 0.205 269 D C 0.789 177.075 176.300 -0.023 0.000 0.965 269 D CA 0.929 54.915 54.000 -0.023 0.000 0.852 269 D CB 0.090 40.870 40.800 -0.033 0.000 0.947 269 D HN 0.423 nan 8.370 nan 0.000 0.494 270 A N -0.149 122.661 122.820 -0.016 0.000 3.158 270 A HA 0.368 4.689 4.320 0.001 0.000 0.302 270 A C -2.148 175.428 177.584 -0.012 0.000 1.162 270 A CA -0.891 51.136 52.037 -0.016 0.000 0.824 270 A CB 0.753 19.753 19.000 0.001 0.000 1.322 270 A HN -0.141 nan 8.150 nan 0.000 0.510 271 P HA -0.069 nan 4.420 nan 0.000 0.221 271 P C 0.854 178.040 177.300 -0.189 0.000 1.150 271 P CA 1.143 64.214 63.100 -0.049 0.000 0.800 271 P CB 0.336 32.003 31.700 -0.055 0.000 0.787 272 E N -0.454 119.580 120.200 -0.277 0.000 2.502 272 E HA 0.021 4.372 4.350 0.001 0.000 0.194 272 E C 0.194 176.641 176.600 -0.254 0.000 1.062 272 E CA 0.149 56.233 56.400 -0.528 0.000 0.867 272 E CB 0.039 29.521 29.700 -0.364 0.000 0.888 272 E HN 0.483 nan 8.360 nan 0.000 0.510 273 E N 0.535 120.722 120.200 -0.023 0.000 2.227 273 E HA 0.437 4.788 4.350 0.001 0.000 0.268 273 E C -0.429 176.317 176.600 0.244 0.000 0.990 273 E CA -0.600 55.868 56.400 0.113 0.000 0.856 273 E CB 1.475 31.237 29.700 0.103 0.000 1.159 273 E HN -0.089 nan 8.360 nan 0.000 0.401 274 R N 1.712 122.364 120.500 0.254 0.000 2.483 274 R HA 0.457 4.797 4.340 0.001 0.000 0.303 274 R C -1.523 174.943 176.300 0.278 0.000 0.987 274 R CA -0.537 55.715 56.100 0.253 0.000 0.881 274 R CB 1.105 31.547 30.300 0.236 0.000 1.177 274 R HN 0.410 nan 8.270 nan 0.000 0.451 275 F N 1.998 121.989 119.950 0.068 0.000 2.596 275 F HA 0.471 4.999 4.527 0.001 0.000 0.311 275 F C -1.671 174.077 175.800 -0.087 0.000 1.116 275 F CA -0.660 57.344 58.000 0.006 0.000 0.957 275 F CB 2.162 41.230 39.000 0.113 0.000 1.250 275 F HN 0.421 nan 8.300 nan 0.000 0.444 276 N N 4.714 122.744 118.700 -1.116 0.000 2.352 276 N HA 0.550 5.291 4.740 0.001 0.000 0.291 276 N C -2.059 172.395 175.510 -1.759 0.000 1.040 276 N CA -0.633 51.666 53.050 -1.252 0.000 0.864 276 N CB 2.291 40.171 38.487 -1.011 0.000 1.440 276 N HN 0.567 nan 8.380 nan 0.000 0.483 277 L N 2.901 123.336 121.223 -1.313 0.000 2.282 277 L HA 0.615 4.956 4.340 0.001 0.000 0.288 277 L C -1.649 174.716 176.870 -0.842 0.000 1.033 277 L CA -0.256 54.068 54.840 -0.860 0.000 0.807 277 L CB -0.011 41.904 42.059 -0.239 0.000 1.209 277 L HN 0.473 nan 8.230 nan 0.000 0.423 278 F N 6.679 126.394 119.950 -0.390 0.000 2.443 278 F HA 0.516 5.044 4.527 0.001 0.000 0.369 278 F C -2.127 173.639 175.800 -0.057 0.000 1.090 278 F CA -2.065 55.805 58.000 -0.218 0.000 1.129 278 F CB 0.669 39.514 39.000 -0.257 0.000 1.367 278 F HN 0.412 nan 8.300 nan 0.000 0.465 279 P HA 0.309 nan 4.420 nan 0.000 0.276 279 P C 0.213 177.583 177.300 0.116 0.000 1.252 279 P CA -0.061 63.097 63.100 0.096 0.000 0.802 279 P CB 1.229 32.964 31.700 0.058 0.000 1.035 280 A N -0.704 122.171 122.820 0.091 0.000 2.925 280 A HA -0.106 4.215 4.320 0.001 0.000 0.265 280 A C -0.012 177.621 177.584 0.081 0.000 1.419 280 A CA 0.770 52.856 52.037 0.081 0.000 0.807 280 A CB -2.459 16.584 19.000 0.073 0.000 1.043 280 A HN 0.279 nan 8.150 nan 0.000 0.600 281 V N -0.076 119.905 119.914 0.112 0.000 2.376 281 V HA 0.651 4.772 4.120 0.001 0.000 0.287 281 V C 0.613 176.737 176.094 0.051 0.000 1.015 281 V CA -0.203 62.163 62.300 0.111 0.000 0.834 281 V CB 1.361 33.349 31.823 0.275 0.000 1.001 281 V HN 1.424 nan 8.190 nan 0.000 0.428 282 A N 4.458 127.289 122.820 0.017 0.000 2.343 282 A HA 0.428 4.749 4.320 0.001 0.000 0.305 282 A C 0.198 177.777 177.584 -0.007 0.000 1.308 282 A CA -0.189 51.844 52.037 -0.006 0.000 0.949 282 A CB -0.225 18.827 19.000 0.086 0.000 1.148 282 A HN 0.845 nan 8.150 nan 0.000 0.545 283 C N 2.787 122.047 119.300 -0.067 0.000 2.499 283 C HA 0.318 4.778 4.460 0.001 0.000 0.386 283 C C 1.374 176.337 174.990 -0.045 0.000 1.293 283 C CA -0.179 58.787 59.018 -0.086 0.000 1.884 283 C CB -0.469 27.204 27.740 -0.112 0.000 2.509 283 C HN 1.001 nan 8.230 nan 0.000 0.566 284 E N 0.833 121.036 120.200 0.005 0.000 2.367 284 E HA 0.148 4.499 4.350 0.001 0.000 0.204 284 E C 0.185 176.757 176.600 -0.046 0.000 0.840 284 E CA 0.268 56.664 56.400 -0.006 0.000 1.051 284 E CB 0.521 30.242 29.700 0.035 0.000 1.051 284 E HN 0.619 nan 8.360 nan 0.000 0.509 285 R N 0.892 121.379 120.500 -0.022 0.000 2.604 285 R HA 0.322 4.663 4.340 0.001 0.000 0.270 285 R C -1.091 175.190 176.300 -0.030 0.000 1.052 285 R CA -0.587 55.485 56.100 -0.047 0.000 0.902 285 R CB 2.527 32.771 30.300 -0.092 0.000 1.233 285 R HN -0.098 nan 8.270 nan 0.000 0.455 286 V N -0.155 119.725 119.914 -0.056 0.000 2.439 286 V HA 0.518 4.639 4.120 0.001 0.000 0.282 286 V C 0.188 176.235 176.094 -0.080 0.000 1.039 286 V CA -0.838 61.397 62.300 -0.109 0.000 0.913 286 V CB 1.566 33.285 31.823 -0.173 0.000 0.983 286 V HN 0.389 nan 8.190 nan 0.000 0.460 287 V N 5.651 125.504 119.914 -0.102 0.000 2.432 287 V HA 0.434 4.555 4.120 0.001 0.000 0.275 287 V C 0.648 176.722 176.094 -0.032 0.000 1.043 287 V CA -0.432 61.837 62.300 -0.053 0.000 0.925 287 V CB 0.910 32.719 31.823 -0.023 0.000 0.985 287 V HN 0.929 nan 8.190 nan 0.000 0.466 288 R N 3.594 124.096 120.500 0.004 0.000 2.459 288 R HA 0.322 4.662 4.340 0.001 0.000 0.281 288 R C 0.231 176.567 176.300 0.060 0.000 1.050 288 R CA -0.626 55.535 56.100 0.101 0.000 1.055 288 R CB 0.663 31.018 30.300 0.092 0.000 1.045 288 R HN 0.874 nan 8.270 nan 0.000 0.495 289 N N 1.338 120.083 118.700 0.075 0.000 2.354 289 N HA 0.013 4.754 4.740 0.001 0.000 0.246 289 N C 0.595 176.101 175.510 -0.007 0.000 1.285 289 N CA 0.096 53.160 53.050 0.022 0.000 0.925 289 N CB 0.461 38.956 38.487 0.014 0.000 1.174 289 N HN 0.576 nan 8.380 nan 0.000 0.478 290 A N 0.514 123.324 122.820 -0.016 0.000 1.940 290 A HA -0.098 4.223 4.320 0.001 0.000 0.219 290 A C 2.118 179.674 177.584 -0.046 0.000 1.176 290 A CA 1.093 53.115 52.037 -0.026 0.000 0.631 290 A CB -0.901 18.087 19.000 -0.020 0.000 0.814 290 A HN 0.661 nan 8.150 nan 0.000 0.446 291 L N -0.762 120.424 121.223 -0.063 0.000 2.552 291 L HA -0.028 4.313 4.340 0.001 0.000 0.227 291 L C -0.006 176.761 176.870 -0.172 0.000 1.146 291 L CA -0.029 54.754 54.840 -0.095 0.000 0.858 291 L CB -0.469 41.536 42.059 -0.090 0.000 0.969 291 L HN 0.404 nan 8.230 nan 0.000 0.451 292 N N 0.357 118.935 118.700 -0.202 0.000 2.696 292 N HA -0.185 4.556 4.740 0.001 0.000 0.256 292 N C 0.831 175.705 175.510 -1.061 0.000 1.031 292 N CA 1.013 53.810 53.050 -0.423 0.000 0.730 292 N CB -0.967 37.423 38.487 -0.161 0.000 0.894 292 N HN 0.547 nan 8.380 nan 0.000 0.544 293 S N -2.194 113.024 115.700 -0.804 0.000 2.679 293 S HA 0.242 4.713 4.470 0.001 0.000 0.258 293 S C 0.225 174.636 174.600 -0.314 0.000 1.068 293 S CA -0.274 57.566 58.200 -0.599 0.000 1.115 293 S CB 1.613 64.667 63.200 -0.243 0.000 1.078 293 S HN 0.331 nan 8.310 nan 0.000 0.603 294 E N 0.507 120.640 120.200 -0.113 0.000 2.335 294 E HA 0.415 4.766 4.350 0.001 0.000 0.280 294 E C -1.697 175.070 176.600 0.279 0.000 0.918 294 E CA -0.765 55.739 56.400 0.174 0.000 0.765 294 E CB 1.483 31.253 29.700 0.117 0.000 1.218 294 E HN 0.109 nan 8.360 nan 0.000 0.425 295 I N 3.573 124.283 120.570 0.235 0.000 2.395 295 I HA 0.087 4.258 4.170 0.001 0.000 0.289 295 I C 1.115 177.160 176.117 -0.119 0.000 1.023 295 I CA 0.241 61.506 61.300 -0.059 0.000 1.350 295 I CB 1.108 38.834 38.000 -0.457 0.000 1.409 295 I HN 0.672 nan 8.210 nan 0.000 0.507 296 E N 3.167 123.308 120.200 -0.100 0.000 2.307 296 E HA 0.069 4.419 4.350 0.001 0.000 0.195 296 E C 0.325 176.978 176.600 0.087 0.000 0.975 296 E CA 0.426 56.846 56.400 0.033 0.000 0.878 296 E CB 0.507 30.230 29.700 0.039 0.000 0.845 296 E HN 0.718 nan 8.360 nan 0.000 0.488 297 S N -0.446 115.228 115.700 -0.043 0.000 2.587 297 S HA 0.496 4.967 4.470 0.001 0.000 0.269 297 S C -1.432 173.192 174.600 0.040 0.000 1.154 297 S CA -1.052 57.219 58.200 0.119 0.000 0.824 297 S CB 1.401 64.663 63.200 0.104 0.000 1.118 297 S HN 0.007 nan 8.310 nan 0.000 0.462 298 L N 1.981 123.345 121.223 0.234 0.000 2.296 298 L HA 0.638 4.979 4.340 0.001 0.000 0.286 298 L C -0.651 176.245 176.870 0.043 0.000 1.023 298 L CA -0.159 54.751 54.840 0.116 0.000 0.812 298 L CB 1.142 43.288 42.059 0.145 0.000 1.223 298 L HN 1.014 nan 8.230 nan 0.000 0.421 299 H N 5.268 124.303 119.070 -0.059 0.000 2.517 299 H HA 0.671 5.228 4.556 0.001 0.000 0.317 299 H C -0.562 174.707 175.328 -0.098 0.000 1.080 299 H CA -0.533 55.479 56.048 -0.061 0.000 1.301 299 H CB 0.905 30.636 29.762 -0.050 0.000 1.425 299 H HN 0.681 nan 8.280 nan 0.000 0.471 300 I N 1.630 122.018 120.570 -0.305 0.000 2.892 300 I HA 0.375 4.546 4.170 0.001 0.000 0.306 300 I C -1.263 174.792 176.117 -0.103 0.000 1.078 300 I CA -0.994 60.200 61.300 -0.176 0.000 1.032 300 I CB 2.535 40.337 38.000 -0.330 0.000 1.229 300 I HN 0.659 nan 8.210 nan 0.000 0.435 301 H N 3.012 122.031 119.070 -0.085 0.000 2.762 301 H HA 0.280 4.836 4.556 0.001 0.000 0.310 301 H C -1.456 173.864 175.328 -0.013 0.000 1.004 301 H CA -0.571 55.441 56.048 -0.060 0.000 1.267 301 H CB 1.439 31.208 29.762 0.012 0.000 1.437 301 H HN 0.851 nan 8.280 nan 0.000 0.498 302 D N 4.838 125.123 120.400 -0.193 0.000 2.382 302 D HA -0.001 4.639 4.640 0.001 0.000 0.259 302 D C 0.904 176.988 176.300 -0.360 0.000 1.224 302 D CA -0.050 53.862 54.000 -0.148 0.000 0.894 302 D CB 0.876 41.717 40.800 0.068 0.000 1.127 302 D HN 0.611 nan 8.370 nan 0.000 0.487 303 L N 4.222 125.300 121.223 -0.241 0.000 2.418 303 L HA -0.025 4.315 4.340 0.001 0.000 0.218 303 L C 1.665 178.477 176.870 -0.097 0.000 1.125 303 L CA 0.004 54.709 54.840 -0.224 0.000 0.835 303 L CB -0.146 41.893 42.059 -0.033 0.000 0.953 303 L HN 0.596 nan 8.230 nan 0.000 0.454 304 I N -0.361 120.182 120.570 -0.045 0.000 2.185 304 I HA -0.167 4.003 4.170 0.001 0.000 0.235 304 I C 2.771 178.881 176.117 -0.010 0.000 1.069 304 I CA 1.721 63.018 61.300 -0.005 0.000 1.354 304 I CB -1.353 36.661 38.000 0.024 0.000 1.093 304 I HN 0.273 nan 8.210 nan 0.000 0.411 305 S N 0.777 116.476 115.700 -0.001 0.000 2.423 305 S HA -0.014 4.457 4.470 0.001 0.000 0.231 305 S C 1.854 176.441 174.600 -0.022 0.000 1.014 305 S CA 1.084 59.290 58.200 0.010 0.000 0.965 305 S CB -0.404 62.830 63.200 0.056 0.000 0.785 305 S HN 0.713 nan 8.310 nan 0.000 0.495 306 G N 0.993 109.737 108.800 -0.093 0.000 2.176 306 G HA2 -0.192 3.769 3.960 0.001 0.000 0.253 306 G HA3 -0.192 3.769 3.960 0.001 0.000 0.253 306 G C -0.442 174.432 174.900 -0.042 0.000 0.979 306 G CA 0.168 45.221 45.100 -0.078 0.000 0.641 306 G HN 0.585 nan 8.290 nan 0.000 0.530 307 D N 0.526 120.837 120.400 -0.149 0.000 2.304 307 D HA 0.451 5.092 4.640 0.001 0.000 0.247 307 D C 0.944 176.897 176.300 -0.578 0.000 1.089 307 D CA 0.035 53.811 54.000 -0.374 0.000 0.910 307 D CB 0.728 41.198 40.800 -0.550 0.000 1.199 307 D HN 0.380 nan 8.370 nan 0.000 0.426 308 R N 1.145 121.285 120.500 -0.599 0.000 2.540 308 R HA 0.605 4.945 4.340 0.001 0.000 0.287 308 R C -0.653 175.080 176.300 -0.945 0.000 0.980 308 R CA -0.578 55.179 56.100 -0.571 0.000 0.966 308 R CB 1.027 31.220 30.300 -0.178 0.000 1.106 308 R HN 0.277 nan 8.270 nan 0.000 0.480 309 F N -0.175 119.565 119.950 -0.350 0.000 2.626 309 F HA 0.299 4.827 4.527 0.001 0.000 0.311 309 F C -0.031 175.535 175.800 -0.389 0.000 1.088 309 F CA -1.028 56.802 58.000 -0.283 0.000 0.949 309 F CB 1.761 40.644 39.000 -0.196 0.000 1.322 309 F HN 0.188 nan 8.300 nan 0.000 0.461 310 E N 2.670 122.870 120.200 0.001 0.000 2.133 310 E HA 0.405 4.756 4.350 0.001 0.000 0.274 310 E C -0.821 175.802 176.600 0.039 0.000 0.930 310 E CA -0.434 55.963 56.400 -0.006 0.000 0.770 310 E CB 2.045 31.778 29.700 0.056 0.000 1.104 310 E HN 0.282 nan 8.360 nan 0.000 0.403 311 I N 2.249 122.841 120.570 0.037 0.000 2.428 311 I HA 0.293 4.464 4.170 0.001 0.000 0.296 311 I C 0.390 176.612 176.117 0.174 0.000 0.985 311 I CA -0.751 60.605 61.300 0.093 0.000 1.260 311 I CB 1.222 39.279 38.000 0.095 0.000 1.389 311 I HN 0.284 nan 8.210 nan 0.000 0.484 312 K N 4.154 124.647 120.400 0.156 0.000 2.221 312 K HA 0.820 5.140 4.320 0.001 0.000 0.258 312 K C -1.158 175.496 176.600 0.089 0.000 0.944 312 K CA -0.357 56.034 56.287 0.173 0.000 0.823 312 K CB 1.856 34.430 32.500 0.124 0.000 1.113 312 K HN 0.825 nan 8.250 nan 0.000 0.431 313 A N 2.752 125.546 122.820 -0.043 0.000 2.594 313 A HA 0.332 4.653 4.320 0.001 0.000 0.291 313 A C -0.505 176.974 177.584 -0.176 0.000 1.105 313 A CA -0.718 51.197 52.037 -0.203 0.000 0.694 313 A CB 1.166 19.926 19.000 -0.399 0.000 1.291 313 A HN 0.814 nan 8.150 nan 0.000 0.410 314 D N -0.433 119.915 120.400 -0.087 0.000 2.144 314 D HA 0.063 4.704 4.640 0.001 0.000 0.200 314 D C 0.435 176.657 176.300 -0.130 0.000 0.978 314 D CA 1.803 55.807 54.000 0.007 0.000 0.833 314 D CB 0.099 40.942 40.800 0.072 0.000 0.961 314 D HN 0.250 nan 8.370 nan 0.000 0.470 315 V N 0.415 120.126 119.914 -0.339 0.000 2.709 315 V HA 0.298 4.418 4.120 0.001 0.000 0.308 315 V C -1.248 174.647 176.094 -0.332 0.000 1.062 315 V CA -0.912 61.201 62.300 -0.312 0.000 0.901 315 V CB 1.921 33.453 31.823 -0.486 0.000 1.003 315 V HN -0.079 nan 8.190 nan 0.000 0.425 316 Y N 2.475 122.769 120.300 -0.009 0.000 2.331 316 Y HA 0.677 5.228 4.550 0.001 0.000 0.334 316 Y C -0.151 175.724 175.900 -0.042 0.000 0.960 316 Y CA -0.955 57.129 58.100 -0.027 0.000 1.130 316 Y CB 2.112 40.551 38.460 -0.036 0.000 1.164 316 Y HN 0.352 nan 8.280 nan 0.000 0.458 317 V N 5.581 125.484 119.914 -0.019 0.000 2.409 317 V HA 0.388 4.509 4.120 0.001 0.000 0.291 317 V C -0.350 175.622 176.094 -0.203 0.000 1.020 317 V CA -0.892 61.288 62.300 -0.201 0.000 0.848 317 V CB 1.461 32.971 31.823 -0.522 0.000 0.990 317 V HN 0.589 nan 8.190 nan 0.000 0.430 318 L N 5.269 126.365 121.223 -0.212 0.000 2.257 318 L HA 0.552 4.893 4.340 0.001 0.000 0.290 318 L C 0.494 177.249 176.870 -0.193 0.000 1.044 318 L CA -0.108 54.618 54.840 -0.190 0.000 0.810 318 L CB 1.417 43.347 42.059 -0.213 0.000 1.193 318 L HN 0.819 nan 8.230 nan 0.000 0.425 319 T N -1.604 112.871 114.554 -0.131 0.000 3.697 319 T HA 0.335 4.686 4.350 0.001 0.000 0.260 319 T C 0.655 175.352 174.700 -0.005 0.000 0.998 319 T CA -0.054 62.007 62.100 -0.066 0.000 1.128 319 T CB 0.946 69.758 68.868 -0.094 0.000 1.082 319 T HN 0.528 nan 8.240 nan 0.000 0.541 320 A N 0.807 123.634 122.820 0.012 0.000 2.278 320 A HA 0.751 5.072 4.320 0.001 0.000 0.212 320 A C 1.444 179.102 177.584 0.124 0.000 1.213 320 A CA 0.185 52.254 52.037 0.053 0.000 0.840 320 A CB -0.822 18.202 19.000 0.040 0.000 0.866 320 A HN 1.721 nan 8.150 nan 0.000 0.489 321 G N -2.593 106.278 108.800 0.119 0.000 2.661 321 G HA2 0.259 4.219 3.960 0.001 0.000 0.685 321 G HA3 0.259 4.219 3.960 0.001 0.000 0.685 321 G C 0.680 175.682 174.900 0.170 0.000 1.298 321 G CA -0.343 44.839 45.100 0.137 0.000 0.855 321 G HN 1.271 nan 8.290 nan 0.000 0.560 322 A N -0.832 122.077 122.820 0.148 0.000 2.119 322 A HA 0.393 4.714 4.320 0.001 0.000 0.216 322 A C 2.452 180.124 177.584 0.147 0.000 1.152 322 A CA 2.674 54.800 52.037 0.148 0.000 0.708 322 A CB -0.101 18.956 19.000 0.095 0.000 0.805 322 A HN 1.494 nan 8.150 nan 0.000 0.460 323 V N -1.337 118.624 119.914 0.079 0.000 2.500 323 V HA -0.108 4.013 4.120 0.001 0.000 0.243 323 V C 2.067 178.166 176.094 0.007 0.000 1.039 323 V CA 1.871 64.176 62.300 0.008 0.000 1.053 323 V CB -0.798 30.908 31.823 -0.196 0.000 0.695 323 V HN 0.719 nan 8.190 nan 0.000 0.463 324 H N -0.564 118.569 119.070 0.104 0.000 2.525 324 H HA 0.058 4.615 4.556 0.001 0.000 0.275 324 H C 2.223 177.529 175.328 -0.037 0.000 0.984 324 H CA 0.647 56.706 56.048 0.018 0.000 1.264 324 H CB 0.185 29.942 29.762 -0.009 0.000 1.432 324 H HN 0.290 nan 8.280 nan 0.000 0.549 325 N N 0.123 118.885 118.700 0.104 0.000 2.018 325 N HA -0.146 4.595 4.740 0.001 0.000 0.196 325 N C 1.776 177.269 175.510 -0.028 0.000 1.043 325 N CA 2.080 55.123 53.050 -0.012 0.000 0.856 325 N CB -0.646 37.833 38.487 -0.014 0.000 1.042 325 N HN 0.295 nan 8.380 nan 0.000 0.423 326 T N 0.978 115.600 114.554 0.113 0.000 2.720 326 T HA -0.191 4.160 4.350 0.001 0.000 0.268 326 T C 1.829 176.402 174.700 -0.211 0.000 1.037 326 T CA 1.235 63.404 62.100 0.114 0.000 1.144 326 T CB -0.258 68.815 68.868 0.342 0.000 0.864 326 T HN 0.371 nan 8.240 nan 0.000 0.444 327 Q N 0.132 119.687 119.800 -0.408 0.000 2.061 327 Q HA -0.137 4.204 4.340 0.001 0.000 0.204 327 Q C 2.314 178.027 176.000 -0.479 0.000 0.984 327 Q CA 1.221 56.456 55.803 -0.947 0.000 0.846 327 Q CB -0.244 28.206 28.738 -0.479 0.000 0.902 327 Q HN 0.368 nan 8.270 nan 0.000 0.421 328 L N 0.763 121.845 121.223 -0.235 0.000 2.093 328 L HA -0.111 4.230 4.340 0.001 0.000 0.208 328 L C 2.023 178.809 176.870 -0.139 0.000 1.085 328 L CA 1.456 56.201 54.840 -0.158 0.000 0.755 328 L CB -0.833 41.157 42.059 -0.115 0.000 0.904 328 L HN 0.320 nan 8.230 nan 0.000 0.435 329 L N -1.720 119.407 121.223 -0.160 0.000 2.017 329 L HA -0.214 4.127 4.340 0.001 0.000 0.208 329 L C 2.473 179.376 176.870 0.056 0.000 1.073 329 L CA 1.129 55.907 54.840 -0.104 0.000 0.745 329 L CB -0.632 41.298 42.059 -0.215 0.000 0.894 329 L HN 0.079 nan 8.230 nan 0.000 0.432 330 V N -0.071 119.810 119.914 -0.056 0.000 2.453 330 V HA -0.242 3.878 4.120 0.001 0.000 0.247 330 V C 2.116 178.188 176.094 -0.036 0.000 1.048 330 V CA 1.861 64.155 62.300 -0.009 0.000 1.049 330 V CB -0.617 31.180 31.823 -0.043 0.000 0.672 330 V HN 0.493 nan 8.190 nan 0.000 0.457 331 N N 0.223 118.855 118.700 -0.114 0.000 2.443 331 N HA -0.114 4.627 4.740 0.001 0.000 0.184 331 N C 1.441 176.918 175.510 -0.054 0.000 1.037 331 N CA 1.267 54.265 53.050 -0.087 0.000 0.896 331 N CB -0.058 38.358 38.487 -0.118 0.000 0.959 331 N HN 0.397 nan 8.380 nan 0.000 0.442 332 S N -1.316 114.380 115.700 -0.006 0.000 2.597 332 S HA 0.334 4.805 4.470 0.001 0.000 0.224 332 S C 1.027 175.597 174.600 -0.051 0.000 0.955 332 S CA 0.180 58.385 58.200 0.009 0.000 0.933 332 S CB 0.355 63.617 63.200 0.103 0.000 0.788 332 S HN 0.542 nan 8.310 nan 0.000 0.488 333 G N 1.114 109.884 108.800 -0.051 0.000 2.141 333 G HA2 -0.248 3.713 3.960 0.001 0.000 0.242 333 G HA3 -0.248 3.713 3.960 0.001 0.000 0.242 333 G C -0.061 174.705 174.900 -0.222 0.000 0.982 333 G CA -0.379 44.639 45.100 -0.137 0.000 0.662 333 G HN 0.436 nan 8.290 nan 0.000 0.527 334 F N 0.584 120.503 119.950 -0.052 0.000 2.370 334 F HA 0.584 5.111 4.527 0.001 0.000 0.319 334 F C 1.641 177.448 175.800 0.012 0.000 1.129 334 F CA 0.736 58.717 58.000 -0.030 0.000 1.109 334 F CB 0.702 39.653 39.000 -0.081 0.000 1.262 334 F HN 0.731 nan 8.300 nan 0.000 0.534 335 G N 1.301 110.241 108.800 0.235 0.000 2.581 335 G HA2 -0.299 3.662 3.960 0.001 0.000 0.291 335 G HA3 -0.299 3.662 3.960 0.001 0.000 0.291 335 G C -0.755 174.218 174.900 0.122 0.000 1.277 335 G CA 0.055 45.260 45.100 0.175 0.000 0.959 335 G HN 0.838 nan 8.290 nan 0.000 0.554 336 Q N -1.075 118.801 119.800 0.125 0.000 2.304 336 Q HA 0.628 4.969 4.340 0.001 0.000 0.270 336 Q C -0.730 175.347 176.000 0.129 0.000 1.035 336 Q CA -0.992 54.864 55.803 0.087 0.000 0.781 336 Q CB 1.639 30.406 28.738 0.047 0.000 1.261 336 Q HN 0.811 nan 8.270 nan 0.000 0.444 337 L N 3.799 125.088 121.223 0.110 0.000 2.397 337 L HA 0.717 5.057 4.340 0.001 0.000 0.271 337 L C 0.365 177.309 176.870 0.122 0.000 1.148 337 L CA 1.818 56.748 54.840 0.151 0.000 0.825 337 L CB 0.920 43.041 42.059 0.103 0.000 1.117 337 L HN 0.859 nan 8.230 nan 0.000 0.456 338 G N 3.545 112.469 108.800 0.206 0.000 2.685 338 G HA2 -0.210 3.751 3.960 0.001 0.000 0.387 338 G HA3 -0.210 3.751 3.960 0.001 0.000 0.387 338 G C -0.567 174.227 174.900 -0.177 0.000 1.324 338 G CA -0.193 44.985 45.100 0.129 0.000 0.878 338 G HN 0.915 nan 8.290 nan 0.000 0.527 339 R N 0.664 120.837 120.500 -0.545 0.000 2.537 339 R HA 0.413 4.753 4.340 0.001 0.000 0.280 339 R C -1.889 173.948 176.300 -0.772 0.000 1.058 339 R CA -0.757 54.536 56.100 -1.346 0.000 1.057 339 R CB 0.059 29.845 30.300 -0.855 0.000 0.973 339 R HN 0.362 nan 8.270 nan 0.000 0.438 340 P HA -0.031 nan 4.420 nan 0.000 0.265 340 P C -1.347 175.787 177.300 -0.275 0.000 1.187 340 P CA 0.351 63.202 63.100 -0.415 0.000 0.766 340 P CB 0.388 31.869 31.700 -0.366 0.000 0.820 341 N N 2.402 121.001 118.700 -0.168 0.000 2.558 341 N HA 0.256 4.997 4.740 0.001 0.000 0.285 341 N C -2.088 173.376 175.510 -0.076 0.000 1.112 341 N CA -1.712 51.268 53.050 -0.117 0.000 0.857 341 N CB 1.140 39.568 38.487 -0.099 0.000 1.376 341 N HN 0.101 nan 8.380 nan 0.000 0.526 342 P HA 0.010 nan 4.420 nan 0.000 0.234 342 P C 0.591 177.872 177.300 -0.031 0.000 1.167 342 P CA 0.493 63.568 63.100 -0.043 0.000 0.763 342 P CB 0.280 31.956 31.700 -0.040 0.000 0.835 343 A N -1.088 121.711 122.820 -0.035 0.000 2.169 343 A HA 0.023 4.344 4.320 0.001 0.000 0.212 343 A C 1.208 178.778 177.584 -0.023 0.000 1.153 343 A CA 0.555 52.576 52.037 -0.027 0.000 0.756 343 A CB -0.579 18.404 19.000 -0.028 0.000 0.813 343 A HN 0.080 nan 8.150 nan 0.000 0.471 344 N N 0.558 119.242 118.700 -0.027 0.000 2.790 344 N HA 0.311 5.052 4.740 0.001 0.000 0.256 344 N C -3.369 172.132 175.510 -0.016 0.000 1.409 344 N CA -1.851 51.186 53.050 -0.022 0.000 0.799 344 N CB 1.208 39.679 38.487 -0.027 0.000 1.170 344 N HN 0.019 nan 8.380 nan 0.000 0.507 345 P HA 0.420 nan 4.420 nan 0.000 0.284 345 P C -2.648 174.659 177.300 0.010 0.000 1.253 345 P CA -1.254 61.848 63.100 0.003 0.000 0.800 345 P CB 0.076 31.779 31.700 0.006 0.000 0.961 346 P HA 0.112 nan 4.420 nan 0.000 0.268 346 P C 1.027 178.345 177.300 0.030 0.000 1.204 346 P CA 0.032 63.151 63.100 0.032 0.000 0.768 346 P CB 0.592 32.329 31.700 0.061 0.000 0.842 347 E N 1.678 121.887 120.200 0.014 0.000 2.085 347 E HA -0.129 4.222 4.350 0.001 0.000 0.194 347 E C 0.019 176.643 176.600 0.040 0.000 0.994 347 E CA 1.004 57.412 56.400 0.012 0.000 0.801 347 E CB 0.068 29.760 29.700 -0.013 0.000 0.743 347 E HN 0.414 nan 8.360 nan 0.000 0.453 348 L N 0.497 121.753 121.223 0.055 0.000 2.362 348 L HA 0.264 4.605 4.340 0.001 0.000 0.271 348 L C 0.063 177.053 176.870 0.199 0.000 1.002 348 L CA -0.790 54.128 54.840 0.130 0.000 0.818 348 L CB 1.993 44.093 42.059 0.068 0.000 1.298 348 L HN 0.072 nan 8.230 nan 0.000 0.420 349 L N 2.954 124.319 121.223 0.236 0.000 3.762 349 L HA -0.177 4.164 4.340 0.001 0.000 0.460 349 L C -1.265 175.713 176.870 0.181 0.000 1.255 349 L CA -0.381 54.597 54.840 0.230 0.000 0.783 349 L CB -1.006 41.222 42.059 0.282 0.000 1.600 349 L HN 0.616 nan 8.230 nan 0.000 0.862 350 P HA -0.168 nan 4.420 nan 0.000 0.220 350 P C 1.232 178.626 177.300 0.155 0.000 1.144 350 P CA 1.284 64.459 63.100 0.124 0.000 0.800 350 P CB 0.256 32.011 31.700 0.091 0.000 0.772 351 S N -0.800 115.010 115.700 0.183 0.000 2.593 351 S HA 0.074 4.544 4.470 0.001 0.000 0.217 351 S C 0.794 175.551 174.600 0.261 0.000 0.966 351 S CA -0.403 57.952 58.200 0.258 0.000 0.914 351 S CB -0.683 62.669 63.200 0.254 0.000 0.776 351 S HN 0.061 nan 8.310 nan 0.000 0.523 352 L N 2.073 123.429 121.223 0.221 0.000 2.462 352 L HA 0.475 4.815 4.340 0.001 0.000 0.272 352 L C 1.145 178.156 176.870 0.234 0.000 1.166 352 L CA 1.059 56.035 54.840 0.226 0.000 0.880 352 L CB -0.129 42.055 42.059 0.208 0.000 1.142 352 L HN 0.315 nan 8.230 nan 0.000 0.473 353 G N 2.321 111.267 108.800 0.243 0.000 2.179 353 G HA2 -0.249 3.712 3.960 0.001 0.000 0.260 353 G HA3 -0.249 3.712 3.960 0.001 0.000 0.260 353 G C 0.355 175.373 174.900 0.197 0.000 0.977 353 G CA 0.267 45.506 45.100 0.231 0.000 0.641 353 G HN 0.796 nan 8.290 nan 0.000 0.533 354 S N -1.432 114.389 115.700 0.202 0.000 2.664 354 S HA 0.661 5.132 4.470 0.001 0.000 0.304 354 S C 0.321 175.053 174.600 0.220 0.000 1.099 354 S CA 0.059 58.314 58.200 0.092 0.000 1.003 354 S CB 1.039 64.204 63.200 -0.058 0.000 1.092 354 S HN 0.945 nan 8.310 nan 0.000 0.525 355 Y N -0.971 119.396 120.300 0.111 0.000 4.272 355 Y HA -0.205 4.346 4.550 0.002 0.000 0.232 355 Y C 0.484 176.467 175.900 0.138 0.000 1.149 355 Y CA 0.219 58.383 58.100 0.106 0.000 1.961 355 Y CB -2.195 36.323 38.460 0.096 0.000 1.611 355 Y HN 0.636 nan 8.280 nan 0.000 0.682 356 I N -0.044 120.679 120.570 0.256 0.000 2.696 356 I HA 0.533 4.704 4.170 0.001 0.000 0.284 356 I C 0.658 176.965 176.117 0.317 0.000 1.129 356 I CA 0.399 61.860 61.300 0.268 0.000 1.410 356 I CB 1.414 39.572 38.000 0.263 0.000 1.399 356 I HN 0.199 nan 8.210 nan 0.000 0.579 357 T N 1.775 116.481 114.554 0.253 0.000 2.893 357 T HA 0.702 5.053 4.350 0.001 0.000 0.291 357 T C -0.722 174.026 174.700 0.079 0.000 1.028 357 T CA -0.672 61.567 62.100 0.232 0.000 0.995 357 T CB 2.108 71.059 68.868 0.139 0.000 1.051 357 T HN 0.862 nan 8.240 nan 0.000 0.470 358 E N 1.022 121.239 120.200 0.029 0.000 2.343 358 E HA 0.355 4.706 4.350 0.001 0.000 0.278 358 E C -1.252 175.450 176.600 0.171 0.000 0.910 358 E CA -0.520 55.850 56.400 -0.050 0.000 0.757 358 E CB 2.061 31.512 29.700 -0.416 0.000 1.218 358 E HN 0.715 nan 8.360 nan 0.000 0.435 359 Q N 1.267 121.182 119.800 0.192 0.000 2.314 359 Q HA 0.411 4.752 4.340 0.001 0.000 0.258 359 Q C -0.397 175.808 176.000 0.342 0.000 0.954 359 Q CA -0.296 55.674 55.803 0.278 0.000 0.890 359 Q CB 1.245 30.169 28.738 0.309 0.000 1.210 359 Q HN 0.464 nan 8.270 nan 0.000 0.410 360 S N 1.677 117.524 115.700 0.246 0.000 2.560 360 S HA 0.209 4.679 4.470 0.001 0.000 0.284 360 S C -0.650 174.001 174.600 0.085 0.000 1.327 360 S CA -0.258 57.933 58.200 -0.015 0.000 1.055 360 S CB 0.207 63.307 63.200 -0.168 0.000 0.868 360 S HN 0.385 nan 8.310 nan 0.000 0.506 361 L N 5.394 126.637 121.223 0.032 0.000 2.409 361 L HA 0.725 5.065 4.340 0.001 0.000 0.272 361 L C -0.806 175.944 176.870 -0.201 0.000 0.980 361 L CA -0.635 54.131 54.840 -0.123 0.000 0.826 361 L CB 1.662 43.633 42.059 -0.147 0.000 1.268 361 L HN 0.435 nan 8.230 nan 0.000 0.407 362 V N 2.021 121.733 119.914 -0.337 0.000 2.667 362 V HA 0.735 4.856 4.120 0.001 0.000 0.308 362 V C -0.952 175.013 176.094 -0.216 0.000 1.048 362 V CA -0.629 61.400 62.300 -0.450 0.000 0.928 362 V CB 1.602 32.957 31.823 -0.780 0.000 1.004 362 V HN 0.808 nan 8.190 nan 0.000 0.444 363 F N 4.724 124.471 119.950 -0.339 0.000 2.601 363 F HA 0.881 5.409 4.527 0.001 0.000 0.309 363 F C -0.296 175.380 175.800 -0.206 0.000 1.089 363 F CA -0.129 57.749 58.000 -0.203 0.000 0.940 363 F CB 1.628 40.546 39.000 -0.136 0.000 1.273 363 F HN 1.215 nan 8.300 nan 0.000 0.450 364 C N 2.509 121.203 119.300 -1.010 0.000 3.314 364 C HA 0.770 5.231 4.460 0.001 0.000 0.344 364 C C -1.689 172.708 174.990 -0.987 0.000 1.461 364 C CA -0.761 57.617 59.018 -1.066 0.000 1.249 364 C CB 1.635 29.028 27.740 -0.579 0.000 1.632 364 C HN 0.953 nan 8.230 nan 0.000 0.452 365 Q N 0.538 120.028 119.800 -0.516 0.000 2.387 365 Q HA 0.751 5.092 4.340 0.001 0.000 0.273 365 Q C -0.492 175.556 176.000 0.081 0.000 1.089 365 Q CA -0.190 55.532 55.803 -0.136 0.000 0.824 365 Q CB 2.666 31.307 28.738 -0.161 0.000 1.367 365 Q HN 0.941 nan 8.270 nan 0.000 0.443 366 T N -2.530 112.153 114.554 0.215 0.000 2.932 366 T HA 0.710 5.061 4.350 0.001 0.000 0.289 366 T C -0.586 174.179 174.700 0.108 0.000 1.039 366 T CA -0.721 61.470 62.100 0.151 0.000 1.024 366 T CB 1.253 70.248 68.868 0.212 0.000 1.090 366 T HN 0.258 nan 8.240 nan 0.000 0.496 367 V N 2.694 122.635 119.914 0.045 0.000 2.378 367 V HA 0.381 4.502 4.120 0.001 0.000 0.288 367 V C 0.225 176.326 176.094 0.012 0.000 1.016 367 V CA -0.889 61.425 62.300 0.023 0.000 0.840 367 V CB 1.148 32.973 31.823 0.004 0.000 0.994 367 V HN 1.030 nan 8.190 nan 0.000 0.431 368 M N 4.882 124.496 119.600 0.024 0.000 2.240 368 M HA 0.045 4.526 4.480 0.001 0.000 0.346 368 M C 0.915 177.217 176.300 0.002 0.000 1.236 368 M CA 0.776 56.089 55.300 0.023 0.000 0.986 368 M CB 0.539 33.150 32.600 0.019 0.000 1.786 368 M HN 0.913 nan 8.290 nan 0.000 0.457 369 S N 2.530 118.229 115.700 -0.001 0.000 2.573 369 S HA 0.075 4.546 4.470 0.001 0.000 0.277 369 S C 1.016 175.613 174.600 -0.005 0.000 1.346 369 S CA -0.136 58.054 58.200 -0.016 0.000 1.034 369 S CB 0.618 63.805 63.200 -0.022 0.000 0.879 369 S HN 0.798 nan 8.310 nan 0.000 0.528 370 T N 2.032 116.580 114.554 -0.011 0.000 2.708 370 T HA -0.131 4.220 4.350 0.001 0.000 0.266 370 T C 1.638 176.341 174.700 0.006 0.000 1.037 370 T CA 1.862 63.961 62.100 -0.002 0.000 1.146 370 T CB -0.582 68.282 68.868 -0.007 0.000 0.865 370 T HN 0.789 nan 8.240 nan 0.000 0.435 371 E N 0.652 120.852 120.200 0.000 0.000 2.086 371 E HA -0.165 4.186 4.350 0.001 0.000 0.205 371 E C 2.217 178.833 176.600 0.026 0.000 1.027 371 E CA 1.248 57.652 56.400 0.007 0.000 0.830 371 E CB -0.355 29.341 29.700 -0.005 0.000 0.751 371 E HN 0.395 nan 8.360 nan 0.000 0.456 372 L N 0.543 121.783 121.223 0.029 0.000 2.046 372 L HA -0.187 4.153 4.340 0.001 0.000 0.208 372 L C 2.434 179.344 176.870 0.067 0.000 1.077 372 L CA 0.503 55.376 54.840 0.056 0.000 0.747 372 L CB -0.255 41.835 42.059 0.052 0.000 0.896 372 L HN 0.248 nan 8.230 nan 0.000 0.432 373 I N -0.166 120.428 120.570 0.040 0.000 2.315 373 I HA -0.249 3.922 4.170 0.001 0.000 0.248 373 I C 2.006 178.151 176.117 0.048 0.000 1.117 373 I CA 1.434 62.752 61.300 0.031 0.000 1.404 373 I CB -0.929 37.078 38.000 0.012 0.000 1.071 373 I HN 0.267 nan 8.210 nan 0.000 0.419 374 D N 0.340 120.770 120.400 0.049 0.000 2.224 374 D HA -0.089 4.552 4.640 0.001 0.000 0.205 374 D C 2.314 178.664 176.300 0.083 0.000 0.965 374 D CA 1.280 55.312 54.000 0.055 0.000 0.852 374 D CB 0.073 40.896 40.800 0.038 0.000 0.947 374 D HN 0.332 nan 8.370 nan 0.000 0.494 375 S N -0.207 115.554 115.700 0.102 0.000 2.453 375 S HA -0.071 4.400 4.470 0.001 0.000 0.231 375 S C 2.107 176.872 174.600 0.276 0.000 1.005 375 S CA 0.371 58.664 58.200 0.155 0.000 0.949 375 S CB -0.366 62.915 63.200 0.134 0.000 0.774 375 S HN 0.038 nan 8.310 nan 0.000 0.510 376 V N 2.887 122.937 119.914 0.226 0.000 2.469 376 V HA -0.149 3.972 4.120 0.001 0.000 0.251 376 V C 2.042 178.279 176.094 0.238 0.000 1.064 376 V CA 2.044 64.506 62.300 0.270 0.000 1.066 376 V CB -0.793 31.086 31.823 0.093 0.000 0.667 376 V HN 0.791 nan 8.190 nan 0.000 0.461 377 K N 0.128 120.620 120.400 0.153 0.000 2.593 377 K HA 0.209 4.530 4.320 0.001 0.000 0.208 377 K C 1.401 178.061 176.600 0.101 0.000 1.051 377 K CA 0.639 56.997 56.287 0.119 0.000 1.111 377 K CB 0.283 32.836 32.500 0.088 0.000 0.849 377 K HN 0.413 nan 8.250 nan 0.000 0.479 378 S N 0.452 116.229 115.700 0.127 0.000 2.442 378 S HA -0.127 4.344 4.470 0.001 0.000 0.236 378 S C 0.872 175.487 174.600 0.024 0.000 1.007 378 S CA 1.062 59.299 58.200 0.060 0.000 0.965 378 S CB -0.173 63.041 63.200 0.023 0.000 0.773 378 S HN 0.283 nan 8.310 nan 0.000 0.504 379 D N 0.470 120.893 120.400 0.039 0.000 2.349 379 D HA 0.268 4.909 4.640 0.001 0.000 0.214 379 D C 0.022 176.358 176.300 0.060 0.000 1.063 379 D CA 0.208 54.214 54.000 0.011 0.000 0.847 379 D CB 0.004 40.779 40.800 -0.041 0.000 0.933 379 D HN 0.328 nan 8.370 nan 0.000 0.513 380 M N 0.337 119.975 119.600 0.063 0.000 2.274 380 M HA 0.238 4.719 4.480 0.001 0.000 0.344 380 M C 0.314 176.644 176.300 0.051 0.000 1.161 380 M CA -0.256 55.094 55.300 0.083 0.000 1.126 380 M CB 0.923 33.562 32.600 0.065 0.000 1.522 380 M HN -0.345 nan 8.290 nan 0.000 0.461 381 T N 4.178 118.754 114.554 0.037 0.000 2.758 381 T HA 0.712 5.063 4.350 0.001 0.000 0.285 381 T C -0.028 174.649 174.700 -0.038 0.000 0.981 381 T CA -0.380 61.720 62.100 0.000 0.000 0.965 381 T CB 0.417 69.280 68.868 -0.008 0.000 0.927 381 T HN 0.422 nan 8.240 nan 0.000 0.448 382 I N 3.601 124.147 120.570 -0.039 0.000 2.410 382 I HA 0.546 4.717 4.170 0.001 0.000 0.286 382 I C 0.080 176.167 176.117 -0.050 0.000 1.009 382 I CA -0.869 60.381 61.300 -0.083 0.000 1.111 382 I CB 1.369 39.361 38.000 -0.013 0.000 1.262 382 I HN 0.261 nan 8.210 nan 0.000 0.443 383 R N 4.561 125.001 120.500 -0.100 0.000 2.744 383 R HA 0.734 5.075 4.340 0.001 0.000 0.279 383 R C -0.138 176.177 176.300 0.026 0.000 0.977 383 R CA 0.172 56.257 56.100 -0.025 0.000 0.906 383 R CB 2.348 32.627 30.300 -0.036 0.000 1.197 383 R HN 0.868 nan 8.270 nan 0.000 0.463 384 G N 1.311 110.165 108.800 0.089 0.000 2.725 384 G HA2 -0.251 3.709 3.960 0.001 0.000 0.220 384 G HA3 -0.251 3.709 3.960 0.001 0.000 0.220 384 G C -0.999 174.055 174.900 0.256 0.000 1.357 384 G CA -0.190 45.006 45.100 0.160 0.000 0.866 384 G HN 0.789 nan 8.290 nan 0.000 0.548 385 T N -0.613 114.072 114.554 0.218 0.000 2.893 385 T HA 0.714 5.065 4.350 0.001 0.000 0.291 385 T C -2.963 171.655 174.700 -0.138 0.000 1.028 385 T CA -1.484 60.672 62.100 0.094 0.000 0.995 385 T CB 2.470 71.353 68.868 0.024 0.000 1.051 385 T HN 0.530 nan 8.240 nan 0.000 0.470 386 P HA 0.346 nan 4.420 nan 0.000 0.266 386 P C 1.199 178.243 177.300 -0.427 0.000 1.195 386 P CA 1.092 63.581 63.100 -1.019 0.000 0.768 386 P CB 0.366 31.596 31.700 -0.783 0.000 0.838 387 G N 1.457 110.055 108.800 -0.337 0.000 2.308 387 G HA2 -0.198 3.763 3.960 0.001 0.000 0.221 387 G HA3 -0.198 3.763 3.960 0.001 0.000 0.221 387 G C 0.240 175.100 174.900 -0.067 0.000 1.032 387 G CA -0.275 44.736 45.100 -0.148 0.000 0.623 387 G HN 0.540 nan 8.290 nan 0.000 0.506 388 E N -0.233 119.940 120.200 -0.045 0.000 2.421 388 E HA 0.520 4.871 4.350 0.001 0.000 0.253 388 E C 1.436 178.062 176.600 0.043 0.000 1.277 388 E CA -0.463 55.943 56.400 0.009 0.000 0.968 388 E CB 0.725 30.442 29.700 0.028 0.000 1.040 388 E HN 0.099 nan 8.360 nan 0.000 0.512 389 L N 0.716 121.963 121.223 0.039 0.000 2.083 389 L HA -0.136 4.205 4.340 0.001 0.000 0.209 389 L C 1.896 178.801 176.870 0.059 0.000 1.083 389 L CA 1.901 56.766 54.840 0.041 0.000 0.752 389 L CB -0.313 41.761 42.059 0.026 0.000 0.899 389 L HN 0.643 nan 8.230 nan 0.000 0.433 390 T N -3.568 111.029 114.554 0.072 0.000 3.244 390 T HA 0.069 4.420 4.350 0.001 0.000 0.254 390 T C 0.185 174.953 174.700 0.114 0.000 1.024 390 T CA -0.435 61.707 62.100 0.071 0.000 0.920 390 T CB -0.779 68.120 68.868 0.051 0.000 1.042 390 T HN 0.023 nan 8.240 nan 0.000 0.572 391 Y N 3.109 123.409 120.300 -0.000 0.000 2.569 391 Y HA 0.394 4.945 4.550 0.001 0.000 0.332 391 Y C 0.350 176.253 175.900 0.004 0.000 1.120 391 Y CA -0.696 57.405 58.100 0.002 0.000 1.416 391 Y CB 0.267 38.727 38.460 -0.001 0.000 1.210 391 Y HN 0.263 nan 8.280 nan 0.000 0.528 392 S N 5.508 120.947 115.700 -0.435 0.000 2.672 392 S HA 0.724 5.195 4.470 0.001 0.000 0.291 392 S C -1.899 172.413 174.600 -0.480 0.000 1.145 392 S CA -0.649 57.352 58.200 -0.332 0.000 1.013 392 S CB 0.655 63.760 63.200 -0.158 0.000 1.017 392 S HN 0.413 nan 8.310 nan 0.000 0.487 393 V N 4.895 124.593 119.914 -0.361 0.000 2.531 393 V HA 0.784 4.905 4.120 0.001 0.000 0.301 393 V C -0.102 175.949 176.094 -0.072 0.000 1.034 393 V CA -0.338 61.827 62.300 -0.225 0.000 0.865 393 V CB 1.719 33.426 31.823 -0.195 0.000 0.995 393 V HN 1.072 nan 8.190 nan 0.000 0.424 394 T N 1.825 116.369 114.554 -0.016 0.000 2.843 394 T HA 0.837 5.188 4.350 0.001 0.000 0.302 394 T C -1.140 173.635 174.700 0.124 0.000 1.232 394 T CA -0.795 61.316 62.100 0.019 0.000 1.009 394 T CB 2.166 70.998 68.868 -0.061 0.000 1.254 394 T HN 0.809 nan 8.240 nan 0.000 0.504 395 Y N -1.739 118.549 120.300 -0.021 0.000 2.588 395 Y HA 0.765 5.316 4.550 0.001 0.000 0.343 395 Y C -0.766 175.123 175.900 -0.018 0.000 1.065 395 Y CA -1.328 56.762 58.100 -0.018 0.000 1.038 395 Y CB 0.788 39.243 38.460 -0.008 0.000 1.297 395 Y HN 0.687 nan 8.280 nan 0.000 0.467 396 T N 4.046 118.613 114.554 0.022 0.000 2.728 396 T HA 0.390 4.741 4.350 0.001 0.000 0.296 396 T C -2.709 172.020 174.700 0.048 0.000 0.940 396 T CA -1.245 60.818 62.100 -0.062 0.000 1.013 396 T CB 0.720 69.578 68.868 -0.017 0.000 0.912 396 T HN 0.374 nan 8.240 nan 0.000 0.484 397 P HA 0.235 nan 4.420 nan 0.000 0.268 397 P C 1.148 178.490 177.300 0.071 0.000 1.205 397 P CA 0.435 63.595 63.100 0.100 0.000 0.771 397 P CB 0.356 32.066 31.700 0.016 0.000 0.858 398 G N 1.937 110.789 108.800 0.086 0.000 2.200 398 G HA2 -0.278 3.683 3.960 0.001 0.000 0.267 398 G HA3 -0.278 3.683 3.960 0.001 0.000 0.267 398 G C 0.528 175.440 174.900 0.020 0.000 0.993 398 G CA 0.216 45.341 45.100 0.041 0.000 0.701 398 G HN 0.866 nan 8.290 nan 0.000 0.524 399 A N 0.364 123.199 122.820 0.025 0.000 2.546 399 A HA 0.587 4.908 4.320 0.001 0.000 0.243 399 A C 1.776 179.351 177.584 -0.016 0.000 1.063 399 A CA 1.289 53.329 52.037 0.004 0.000 0.757 399 A CB 0.259 19.265 19.000 0.010 0.000 0.991 399 A HN 1.754 nan 8.150 nan 0.000 0.503 400 S N 1.652 117.339 115.700 -0.021 0.000 2.447 400 S HA -0.145 4.326 4.470 0.001 0.000 0.233 400 S C 1.395 175.964 174.600 -0.051 0.000 1.006 400 S CA 1.659 59.839 58.200 -0.033 0.000 0.957 400 S CB -0.753 62.432 63.200 -0.026 0.000 0.773 400 S HN 1.223 nan 8.310 nan 0.000 0.507 401 T N -0.900 113.624 114.554 -0.050 0.000 3.129 401 T HA 0.238 4.589 4.350 0.001 0.000 0.251 401 T C 0.268 174.909 174.700 -0.098 0.000 1.117 401 T CA -0.506 61.553 62.100 -0.068 0.000 1.034 401 T CB -0.649 68.187 68.868 -0.052 0.000 0.968 401 T HN 0.200 nan 8.240 nan 0.000 0.526 402 N N 2.313 120.953 118.700 -0.099 0.000 2.468 402 N HA 0.240 4.980 4.740 0.001 0.000 0.265 402 N C 0.802 176.154 175.510 -0.265 0.000 1.199 402 N CA -0.146 52.812 53.050 -0.154 0.000 0.928 402 N CB 1.238 39.654 38.487 -0.118 0.000 1.059 402 N HN 0.115 nan 8.380 nan 0.000 0.467 403 K N 1.230 121.381 120.400 -0.415 0.000 2.217 403 K HA 0.027 4.348 4.320 0.001 0.000 0.202 403 K C 0.121 176.184 176.600 -0.894 0.000 1.051 403 K CA 1.179 57.073 56.287 -0.656 0.000 0.952 403 K CB 0.015 32.017 32.500 -0.830 0.000 0.736 403 K HN 0.580 nan 8.250 nan 0.000 0.453 404 H N -1.084 117.658 119.070 -0.546 0.000 2.731 404 H HA 0.364 4.921 4.556 0.001 0.000 0.368 404 H C -2.361 172.630 175.328 -0.561 0.000 1.168 404 H CA -2.808 52.760 56.048 -0.800 0.000 1.181 404 H CB 1.032 29.889 29.762 -1.507 0.000 1.743 404 H HN -0.201 nan 8.280 nan 0.000 0.547 405 P HA 0.039 nan 4.420 nan 0.000 0.274 405 P C 0.419 177.489 177.300 -0.382 0.000 1.246 405 P CA -0.303 62.580 63.100 -0.363 0.000 0.795 405 P CB 1.101 32.518 31.700 -0.472 0.000 1.006 406 D N 0.208 120.515 120.400 -0.154 0.000 2.117 406 D HA -0.143 4.498 4.640 0.001 0.000 0.197 406 D C 1.916 178.193 176.300 -0.038 0.000 0.987 406 D CA 1.283 55.264 54.000 -0.032 0.000 0.829 406 D CB -0.570 40.327 40.800 0.162 0.000 0.961 406 D HN 0.601 nan 8.370 nan 0.000 0.460 407 W N 0.567 121.934 121.300 0.112 0.000 2.342 407 W HA -0.175 4.485 4.660 0.001 0.000 0.297 407 W C 1.958 178.554 176.519 0.128 0.000 1.213 407 W CA 0.311 57.722 57.345 0.109 0.000 1.251 407 W CB -1.405 28.113 29.460 0.096 0.000 1.136 407 W HN 0.085 nan 8.180 nan 0.000 0.526 408 W N 3.549 124.339 121.300 -0.849 0.000 2.413 408 W HA -0.146 4.515 4.660 0.001 0.000 0.315 408 W C 1.945 178.191 176.519 -0.455 0.000 1.186 408 W CA 1.708 58.599 57.345 -0.756 0.000 1.326 408 W CB -1.143 27.643 29.460 -1.122 0.000 1.153 408 W HN -0.143 nan 8.180 nan 0.000 0.489 409 N N 1.110 119.731 118.700 -0.131 0.000 2.205 409 N HA -0.215 4.526 4.740 0.001 0.000 0.186 409 N C 1.489 176.737 175.510 -0.436 0.000 1.015 409 N CA 1.993 54.763 53.050 -0.466 0.000 0.862 409 N CB -0.712 37.045 38.487 -1.217 0.000 0.986 409 N HN 0.267 nan 8.380 nan 0.000 0.429 410 E N 1.482 121.571 120.200 -0.185 0.000 2.038 410 E HA -0.109 4.242 4.350 0.001 0.000 0.195 410 E C 1.617 178.273 176.600 0.093 0.000 1.000 410 E CA 1.473 57.948 56.400 0.125 0.000 0.803 410 E CB -0.015 29.815 29.700 0.217 0.000 0.750 410 E HN 0.266 nan 8.360 nan 0.000 0.448 411 K N -0.591 119.847 120.400 0.065 0.000 2.097 411 K HA -0.088 4.233 4.320 0.001 0.000 0.206 411 K C 2.118 178.734 176.600 0.028 0.000 1.049 411 K CA 1.255 57.575 56.287 0.056 0.000 0.933 411 K CB -0.080 32.437 32.500 0.029 0.000 0.717 411 K HN 0.030 nan 8.250 nan 0.000 0.442 412 V N 1.630 121.531 119.914 -0.023 0.000 2.323 412 V HA -0.228 3.893 4.120 0.001 0.000 0.244 412 V C 2.318 178.459 176.094 0.078 0.000 1.041 412 V CA 1.478 63.771 62.300 -0.011 0.000 1.025 412 V CB -0.350 31.451 31.823 -0.037 0.000 0.656 412 V HN 0.313 nan 8.190 nan 0.000 0.451 413 K N 0.317 120.764 120.400 0.079 0.000 2.034 413 K HA -0.294 4.026 4.320 0.001 0.000 0.214 413 K C 1.976 178.648 176.600 0.120 0.000 1.051 413 K CA 2.354 58.718 56.287 0.129 0.000 0.931 413 K CB -0.253 32.391 32.500 0.240 0.000 0.715 413 K HN 0.416 nan 8.250 nan 0.000 0.446 414 N N -0.173 118.602 118.700 0.126 0.000 2.270 414 N HA -0.138 4.602 4.740 0.001 0.000 0.181 414 N C 1.666 177.254 175.510 0.129 0.000 1.016 414 N CA 1.162 54.281 53.050 0.115 0.000 0.870 414 N CB -0.488 38.070 38.487 0.118 0.000 0.979 414 N HN 0.415 nan 8.380 nan 0.000 0.431 415 H N 0.553 119.657 119.070 0.056 0.000 2.321 415 H HA 0.100 4.657 4.556 0.001 0.000 0.300 415 H C 1.871 177.248 175.328 0.082 0.000 1.087 415 H CA 1.693 57.771 56.048 0.050 0.000 1.319 415 H CB -0.015 29.679 29.762 -0.113 0.000 1.379 415 H HN 0.096 nan 8.280 nan 0.000 0.501 416 M N -0.724 118.909 119.600 0.055 0.000 2.394 416 M HA -0.097 4.383 4.480 0.001 0.000 0.264 416 M C 1.500 177.879 176.300 0.133 0.000 1.073 416 M CA 0.958 56.300 55.300 0.069 0.000 1.111 416 M CB 0.174 32.874 32.600 0.168 0.000 1.401 416 M HN 0.359 nan 8.290 nan 0.000 0.448 417 M N -0.977 118.678 119.600 0.091 0.000 2.466 417 M HA -0.003 4.478 4.480 0.001 0.000 0.265 417 M C 1.787 178.088 176.300 0.002 0.000 1.122 417 M CA 1.178 56.538 55.300 0.101 0.000 1.157 417 M CB -0.715 31.925 32.600 0.066 0.000 1.352 417 M HN 0.142 nan 8.290 nan 0.000 0.464 418 Q N 0.029 119.793 119.800 -0.060 0.000 2.297 418 Q HA -0.031 4.310 4.340 0.001 0.000 0.204 418 Q C 0.074 175.744 176.000 -0.550 0.000 0.962 418 Q CA 1.034 56.692 55.803 -0.241 0.000 0.879 418 Q CB 0.161 28.802 28.738 -0.162 0.000 0.947 418 Q HN 0.440 nan 8.270 nan 0.000 0.462 419 H N -0.659 118.323 119.070 -0.146 0.000 2.514 419 H HA 0.203 4.760 4.556 0.001 0.000 0.226 419 H C -0.215 175.023 175.328 -0.150 0.000 1.421 419 H CA -0.067 55.885 56.048 -0.160 0.000 1.394 419 H CB 0.523 30.098 29.762 -0.312 0.000 1.701 419 H HN 0.256 nan 8.280 nan 0.000 0.515 420 Q N 0.656 120.429 119.800 -0.044 0.000 2.482 420 Q HA -0.074 4.266 4.340 0.001 0.000 0.209 420 Q C 1.744 177.683 176.000 -0.101 0.000 0.961 420 Q CA 0.522 56.261 55.803 -0.107 0.000 0.945 420 Q CB 0.546 29.188 28.738 -0.160 0.000 1.012 420 Q HN 0.539 nan 8.270 nan 0.000 0.515 421 E N 0.682 120.873 120.200 -0.016 0.000 2.385 421 E HA -0.073 4.278 4.350 0.001 0.000 0.194 421 E C -0.162 176.469 176.600 0.051 0.000 1.013 421 E CA 0.355 56.761 56.400 0.011 0.000 0.866 421 E CB 0.051 29.777 29.700 0.043 0.000 0.832 421 E HN 0.107 nan 8.360 nan 0.000 0.500 422 D N 2.238 122.689 120.400 0.085 0.000 2.304 422 D HA 0.106 4.747 4.640 0.001 0.000 0.250 422 D C -1.600 174.748 176.300 0.080 0.000 1.107 422 D CA -1.906 52.172 54.000 0.130 0.000 0.885 422 D CB 1.546 42.458 40.800 0.186 0.000 1.192 422 D HN -0.117 nan 8.370 nan 0.000 0.436 423 P HA 0.168 nan 4.420 nan 0.000 0.261 423 P C -0.359 176.978 177.300 0.061 0.000 1.268 423 P CA 0.073 63.206 63.100 0.055 0.000 0.833 423 P CB 0.411 32.134 31.700 0.039 0.000 1.231 424 L N 1.909 123.179 121.223 0.078 0.000 2.334 424 L HA 0.410 4.751 4.340 0.001 0.000 0.273 424 L C -1.491 175.410 176.870 0.051 0.000 1.013 424 L CA -2.267 52.593 54.840 0.033 0.000 0.816 424 L CB 2.662 44.709 42.059 -0.021 0.000 1.278 424 L HN -0.313 nan 8.230 nan 0.000 0.431 425 P HA 0.101 nan 4.420 nan 0.000 0.255 425 P C 0.169 177.320 177.300 -0.249 0.000 1.248 425 P CA 0.465 63.559 63.100 -0.010 0.000 0.807 425 P CB 0.444 32.144 31.700 0.000 0.000 1.150 426 I N 2.426 122.752 120.570 -0.407 0.000 2.352 426 I HA 0.237 4.408 4.170 0.001 0.000 0.290 426 I C -2.186 173.341 176.117 -0.983 0.000 1.036 426 I CA -2.818 58.165 61.300 -0.528 0.000 1.336 426 I CB 0.791 38.589 38.000 -0.337 0.000 1.407 426 I HN -0.236 nan 8.210 nan 0.000 0.497 427 P HA 0.006 nan 4.420 nan 0.000 0.267 427 P C 0.280 177.301 177.300 -0.466 0.000 1.200 427 P CA 0.005 62.652 63.100 -0.755 0.000 0.772 427 P CB 0.354 31.895 31.700 -0.266 0.000 0.855 428 F N 0.670 120.499 119.950 -0.203 0.000 2.216 428 F HA -0.091 4.437 4.527 0.001 0.000 0.300 428 F C 1.737 177.500 175.800 -0.062 0.000 1.085 428 F CA 1.493 59.424 58.000 -0.116 0.000 1.326 428 F CB -0.877 38.071 39.000 -0.087 0.000 1.027 428 F HN 0.405 nan 8.300 nan 0.000 0.497 429 E N -0.382 119.897 120.200 0.131 0.000 2.419 429 E HA -0.009 4.342 4.350 0.001 0.000 0.190 429 E C -0.223 176.401 176.600 0.039 0.000 1.040 429 E CA -0.268 56.186 56.400 0.091 0.000 0.900 429 E CB -0.147 29.609 29.700 0.094 0.000 1.054 429 E HN 0.146 nan 8.360 nan 0.000 0.462 430 D N 2.321 122.719 120.400 -0.004 0.000 2.472 430 D HA 0.005 4.646 4.640 0.001 0.000 0.248 430 D C -2.274 174.045 176.300 0.032 0.000 1.174 430 D CA -1.344 52.641 54.000 -0.025 0.000 0.883 430 D CB 0.771 41.510 40.800 -0.102 0.000 1.149 430 D HN -0.117 nan 8.370 nan 0.000 0.488 431 P HA 0.070 nan 4.420 nan 0.000 0.273 431 P C -0.452 176.982 177.300 0.223 0.000 1.250 431 P CA -0.390 62.807 63.100 0.162 0.000 0.793 431 P CB 0.377 32.156 31.700 0.132 0.000 1.011 432 E N 1.510 121.884 120.200 0.291 0.000 2.408 432 E HA 0.162 4.513 4.350 0.001 0.000 0.259 432 E C -2.316 174.329 176.600 0.075 0.000 1.110 432 E CA -1.916 54.563 56.400 0.132 0.000 0.929 432 E CB -1.191 28.544 29.700 0.058 0.000 0.971 432 E HN 0.294 nan 8.360 nan 0.000 0.438 433 P HA 0.089 nan 4.420 nan 0.000 0.274 433 P C -0.440 176.848 177.300 -0.019 0.000 1.231 433 P CA -0.148 63.015 63.100 0.106 0.000 0.790 433 P CB 0.573 32.308 31.700 0.058 0.000 0.951 434 Q N 0.872 120.727 119.800 0.092 0.000 3.557 434 Q HA 0.307 4.648 4.340 0.001 0.000 0.264 434 Q C -1.003 175.066 176.000 0.115 0.000 0.850 434 Q CA -0.314 55.432 55.803 -0.094 0.000 0.833 434 Q CB 1.129 29.556 28.738 -0.517 0.000 1.505 434 Q HN 0.192 nan 8.270 nan 0.000 0.402 435 V N 0.540 120.495 119.914 0.068 0.000 2.667 435 V HA 0.757 4.878 4.120 0.001 0.000 0.308 435 V C 0.125 176.231 176.094 0.020 0.000 1.048 435 V CA -0.401 61.943 62.300 0.072 0.000 0.928 435 V CB 2.095 33.912 31.823 -0.011 0.000 1.004 435 V HN 0.445 nan 8.190 nan 0.000 0.444 436 T N 1.747 116.344 114.554 0.073 0.000 2.923 436 T HA 0.502 4.853 4.350 0.001 0.000 0.311 436 T C -0.975 173.668 174.700 -0.095 0.000 1.183 436 T CA -0.311 61.778 62.100 -0.017 0.000 1.020 436 T CB 1.836 70.680 68.868 -0.040 0.000 1.165 436 T HN 0.854 nan 8.240 nan 0.000 0.482 437 T N 4.530 118.871 114.554 -0.355 0.000 2.786 437 T HA 0.631 4.981 4.350 0.001 0.000 0.283 437 T C -0.208 174.361 174.700 -0.220 0.000 0.992 437 T CA -0.606 61.135 62.100 -0.599 0.000 0.954 437 T CB 0.065 68.124 68.868 -1.348 0.000 0.934 437 T HN 0.514 nan 8.240 nan 0.000 0.440 438 L N 4.329 125.505 121.223 -0.078 0.000 2.453 438 L HA 0.438 4.779 4.340 0.001 0.000 0.261 438 L C 0.653 177.560 176.870 0.063 0.000 1.179 438 L CA -0.995 53.887 54.840 0.070 0.000 0.813 438 L CB 0.331 42.410 42.059 0.034 0.000 1.110 438 L HN 0.653 nan 8.230 nan 0.000 0.466 439 F N 2.737 122.637 119.950 -0.083 0.000 2.623 439 F HA -0.045 4.483 4.527 0.001 0.000 0.386 439 F C 0.239 175.777 175.800 -0.437 0.000 1.068 439 F CA 0.471 58.323 58.000 -0.247 0.000 1.265 439 F CB 0.111 39.019 39.000 -0.153 0.000 1.026 439 F HN 0.377 nan 8.300 nan 0.000 0.568 440 Q N 6.586 125.836 119.800 -0.917 0.000 2.544 440 Q HA 0.294 4.635 4.340 0.001 0.000 0.291 440 Q C -2.068 173.480 176.000 -0.752 0.000 1.068 440 Q CA -1.700 53.685 55.803 -0.696 0.000 0.785 440 Q CB 1.307 29.536 28.738 -0.848 0.000 1.481 440 Q HN 0.235 nan 8.270 nan 0.000 0.430 441 P HA -0.123 nan 4.420 nan 0.000 0.218 441 P C 1.107 178.185 177.300 -0.370 0.000 1.149 441 P CA 1.575 64.500 63.100 -0.292 0.000 0.817 441 P CB 0.233 31.858 31.700 -0.125 0.000 0.785 442 S N -1.349 114.137 115.700 -0.357 0.000 2.562 442 S HA -0.075 4.396 4.470 0.001 0.000 0.221 442 S C 0.497 174.895 174.600 -0.337 0.000 0.975 442 S CA 0.022 58.082 58.200 -0.235 0.000 0.918 442 S CB -1.297 61.862 63.200 -0.067 0.000 0.772 442 S HN 0.421 nan 8.310 nan 0.000 0.531 443 H N -1.317 117.303 119.070 -0.751 0.000 2.490 443 H HA 0.473 5.030 4.556 0.002 0.000 0.230 443 H C -3.253 170.918 175.328 -1.928 0.000 1.417 443 H CA -1.858 53.355 56.048 -1.392 0.000 1.449 443 H CB 0.386 29.595 29.762 -0.923 0.000 1.649 443 H HN 0.051 nan 8.280 nan 0.000 0.519 444 P HA 0.074 nan 4.420 nan 0.000 0.226 444 P C -1.230 175.461 177.300 -1.014 0.000 1.783 444 P CA 0.277 62.301 63.100 -1.793 0.000 0.980 444 P CB -1.096 30.136 31.700 -0.781 0.000 1.967 445 W N -0.278 120.660 121.300 -0.603 0.000 3.213 445 W HA 0.510 5.171 4.660 0.002 0.000 0.318 445 W C -0.992 175.657 176.519 0.217 0.000 1.248 445 W CA -1.252 56.127 57.345 0.057 0.000 1.187 445 W CB 0.063 29.586 29.460 0.105 0.000 1.403 445 W HN -0.018 nan 8.180 nan 0.000 0.556 446 H N 1.083 120.463 119.070 0.516 0.000 2.505 446 H HA 0.701 5.258 4.556 0.002 0.000 0.351 446 H C -0.136 175.398 175.328 0.344 0.000 1.151 446 H CA 0.444 56.691 56.048 0.332 0.000 1.339 446 H CB 1.448 31.329 29.762 0.199 0.000 1.483 446 H HN 0.566 nan 8.280 nan 0.000 0.558 447 T N 1.956 116.276 114.554 -0.390 0.000 2.876 447 T HA 0.518 4.868 4.350 0.001 0.000 0.289 447 T C -0.744 173.661 174.700 -0.492 0.000 1.014 447 T CA -1.133 60.686 62.100 -0.468 0.000 0.986 447 T CB 1.646 70.096 68.868 -0.697 0.000 1.021 447 T HN 0.654 nan 8.240 nan 0.000 0.458 448 Q N 1.634 121.352 119.800 -0.137 0.000 2.304 448 Q HA 0.561 4.902 4.340 0.001 0.000 0.270 448 Q C -1.372 174.517 176.000 -0.185 0.000 1.035 448 Q CA -0.719 54.909 55.803 -0.292 0.000 0.781 448 Q CB 2.367 30.787 28.738 -0.530 0.000 1.261 448 Q HN 0.669 nan 8.270 nan 0.000 0.444 449 I N 3.663 124.095 120.570 -0.229 0.000 2.437 449 I HA 0.348 4.519 4.170 0.001 0.000 0.279 449 I C -0.248 175.782 176.117 -0.145 0.000 1.028 449 I CA -0.076 60.989 61.300 -0.392 0.000 1.142 449 I CB 0.427 38.032 38.000 -0.658 0.000 1.266 449 I HN 0.724 nan 8.210 nan 0.000 0.461 450 H N 3.427 122.324 119.070 -0.289 0.000 3.075 450 H HA 0.673 5.230 4.556 0.002 0.000 0.263 450 H C -1.077 174.182 175.328 -0.115 0.000 1.549 450 H CA -1.368 54.578 56.048 -0.170 0.000 1.192 450 H CB 1.281 30.963 29.762 -0.133 0.000 1.898 450 H HN 0.084 nan 8.280 nan 0.000 0.696 451 R N 1.253 121.576 120.500 -0.296 0.000 2.502 451 R HA 0.300 4.641 4.340 0.001 0.000 0.298 451 R C -1.476 174.595 176.300 -0.383 0.000 1.018 451 R CA -0.691 55.218 56.100 -0.318 0.000 0.899 451 R CB 1.720 31.981 30.300 -0.065 0.000 1.181 451 R HN 0.679 nan 8.270 nan 0.000 0.444 452 D N 1.061 121.205 120.400 -0.427 0.000 2.385 452 D HA 0.447 5.088 4.640 0.001 0.000 0.254 452 D C -0.370 175.886 176.300 -0.073 0.000 1.053 452 D CA -0.531 53.329 54.000 -0.234 0.000 0.992 452 D CB 1.758 42.456 40.800 -0.170 0.000 1.145 452 D HN 0.526 nan 8.370 nan 0.000 0.523 453 A N 1.454 124.257 122.820 -0.029 0.000 2.548 453 A HA 0.268 4.588 4.320 0.001 0.000 0.247 453 A C -0.628 176.957 177.584 0.002 0.000 1.067 453 A CA 0.411 52.464 52.037 0.028 0.000 0.757 453 A CB -0.500 18.564 19.000 0.106 0.000 0.996 453 A HN 0.398 nan 8.150 nan 0.000 0.504 454 F N 2.245 122.022 119.950 -0.289 0.000 2.588 454 F HA 0.607 5.135 4.527 0.001 0.000 0.314 454 F C 0.275 175.684 175.800 -0.651 0.000 1.069 454 F CA -0.343 57.336 58.000 -0.534 0.000 0.931 454 F CB 2.218 40.717 39.000 -0.835 0.000 1.260 454 F HN 0.552 nan 8.300 nan 0.000 0.465 455 S N 3.515 118.372 115.700 -1.404 0.000 2.498 455 S HA 0.433 4.903 4.470 0.001 0.000 0.324 455 S C -1.442 172.578 174.600 -0.967 0.000 1.071 455 S CA -0.535 57.110 58.200 -0.925 0.000 1.113 455 S CB -0.106 62.773 63.200 -0.535 0.000 0.976 455 S HN 0.569 nan 8.310 nan 0.000 0.462 456 W N 3.001 124.202 121.300 -0.165 0.000 2.253 456 W HA 0.519 5.180 4.660 0.002 0.000 0.322 456 W C 1.304 177.823 176.519 -0.001 0.000 1.342 456 W CA -0.284 57.090 57.345 0.049 0.000 1.218 456 W CB 0.434 29.983 29.460 0.149 0.000 1.205 456 W HN 0.984 nan 8.180 nan 0.000 0.551 457 G N 0.983 109.951 108.800 0.280 0.000 2.683 457 G HA2 0.300 4.261 3.960 0.001 0.000 0.260 457 G HA3 0.300 4.261 3.960 0.001 0.000 0.260 457 G C 0.923 175.936 174.900 0.187 0.000 1.238 457 G CA -0.096 45.109 45.100 0.176 0.000 0.934 457 G HN 0.720 nan 8.290 nan 0.000 0.534 458 A N -0.931 121.961 122.820 0.119 0.000 1.930 458 A HA 0.045 4.366 4.320 0.001 0.000 0.217 458 A C 2.443 180.081 177.584 0.090 0.000 1.175 458 A CA 1.821 53.914 52.037 0.093 0.000 0.627 458 A CB -0.555 18.483 19.000 0.062 0.000 0.815 458 A HN 0.609 nan 8.150 nan 0.000 0.443 459 V N 0.015 119.989 119.914 0.101 0.000 2.488 459 V HA -0.187 3.934 4.120 0.001 0.000 0.246 459 V C 2.252 178.397 176.094 0.085 0.000 1.046 459 V CA 2.027 64.375 62.300 0.080 0.000 1.053 459 V CB -0.477 31.393 31.823 0.078 0.000 0.679 459 V HN 0.725 nan 8.190 nan 0.000 0.458 460 Q N -0.819 119.075 119.800 0.156 0.000 2.482 460 Q HA -0.086 4.255 4.340 0.001 0.000 0.209 460 Q C 1.794 177.780 176.000 -0.022 0.000 0.961 460 Q CA 0.597 56.500 55.803 0.167 0.000 0.945 460 Q CB -0.005 29.017 28.738 0.475 0.000 1.012 460 Q HN 0.691 nan 8.270 nan 0.000 0.515 461 Q N -0.315 119.485 119.800 -0.000 0.000 2.424 461 Q HA 0.043 4.384 4.340 0.001 0.000 0.204 461 Q C 1.686 177.625 176.000 -0.102 0.000 0.933 461 Q CA 0.395 56.129 55.803 -0.115 0.000 0.929 461 Q CB 0.221 28.950 28.738 -0.014 0.000 1.037 461 Q HN 0.138 nan 8.270 nan 0.000 0.511 462 S N 0.219 115.888 115.700 -0.052 0.000 2.522 462 S HA 0.028 4.499 4.470 0.001 0.000 0.227 462 S C 0.768 175.329 174.600 -0.065 0.000 0.986 462 S CA 0.172 58.347 58.200 -0.042 0.000 0.929 462 S CB 0.246 63.440 63.200 -0.011 0.000 0.769 462 S HN 0.144 nan 8.310 nan 0.000 0.529 463 I N 2.615 123.120 120.570 -0.107 0.000 2.336 463 I HA 0.277 4.448 4.170 0.001 0.000 0.292 463 I C 0.189 176.203 176.117 -0.171 0.000 0.991 463 I CA -0.828 60.404 61.300 -0.113 0.000 1.227 463 I CB 0.988 38.930 38.000 -0.097 0.000 1.366 463 I HN 0.115 nan 8.210 nan 0.000 0.466 464 D N 4.390 124.726 120.400 -0.108 0.000 2.450 464 D HA -0.053 4.588 4.640 0.001 0.000 0.247 464 D C 1.236 177.456 176.300 -0.133 0.000 1.162 464 D CA 0.205 54.147 54.000 -0.097 0.000 0.879 464 D CB 1.218 42.004 40.800 -0.024 0.000 1.163 464 D HN 0.659 nan 8.370 nan 0.000 0.472 465 S N 4.185 119.778 115.700 -0.179 0.000 2.447 465 S HA -0.145 4.325 4.470 0.001 0.000 0.233 465 S C 1.656 176.224 174.600 -0.053 0.000 1.006 465 S CA 0.398 58.491 58.200 -0.179 0.000 0.957 465 S CB -0.033 63.062 63.200 -0.175 0.000 0.773 465 S HN 0.544 nan 8.310 nan 0.000 0.507 466 R N 0.730 121.214 120.500 -0.027 0.000 2.200 466 R HA 0.107 4.448 4.340 0.001 0.000 0.234 466 R C 1.801 178.086 176.300 -0.025 0.000 1.127 466 R CA 1.315 57.404 56.100 -0.019 0.000 0.989 466 R CB -0.581 29.699 30.300 -0.033 0.000 0.869 466 R HN 0.452 nan 8.270 nan 0.000 0.459 467 L N 0.336 121.541 121.223 -0.029 0.000 2.418 467 L HA 0.119 4.460 4.340 0.001 0.000 0.218 467 L C 0.744 177.617 176.870 0.006 0.000 1.125 467 L CA 0.172 55.003 54.840 -0.016 0.000 0.835 467 L CB 0.125 42.171 42.059 -0.023 0.000 0.953 467 L HN 0.071 nan 8.230 nan 0.000 0.454 468 I N 0.323 120.897 120.570 0.007 0.000 2.385 468 I HA 0.282 4.453 4.170 0.001 0.000 0.294 468 I C -0.576 175.574 176.117 0.056 0.000 0.988 468 I CA -0.371 60.956 61.300 0.045 0.000 1.265 468 I CB 1.948 39.981 38.000 0.054 0.000 1.388 468 I HN -0.298 nan 8.210 nan 0.000 0.480 469 V N 4.605 124.558 119.914 0.065 0.000 2.638 469 V HA 0.302 4.423 4.120 0.001 0.000 0.306 469 V C -0.776 175.287 176.094 -0.051 0.000 1.052 469 V CA -0.879 61.406 62.300 -0.025 0.000 0.885 469 V CB 2.347 34.136 31.823 -0.057 0.000 0.999 469 V HN 0.603 nan 8.190 nan 0.000 0.424 470 D N 2.633 122.943 120.400 -0.150 0.000 2.210 470 D HA 0.415 5.056 4.640 0.001 0.000 0.249 470 D C -0.970 175.259 176.300 -0.119 0.000 1.062 470 D CA 0.057 54.005 54.000 -0.087 0.000 0.891 470 D CB 1.430 42.205 40.800 -0.042 0.000 1.186 470 D HN 0.445 nan 8.370 nan 0.000 0.432 471 W N 1.423 122.708 121.300 -0.025 0.000 2.471 471 W HA 0.432 5.093 4.660 0.001 0.000 0.318 471 W C 0.323 176.898 176.519 0.093 0.000 1.034 471 W CA -0.828 56.556 57.345 0.065 0.000 1.224 471 W CB 1.299 30.693 29.460 -0.109 0.000 1.335 471 W HN -0.074 nan 8.180 nan 0.000 0.452 472 R N 2.856 123.598 120.500 0.404 0.000 2.532 472 R HA 0.575 4.916 4.340 0.001 0.000 0.297 472 R C -1.549 174.927 176.300 0.293 0.000 0.984 472 R CA -0.901 55.303 56.100 0.172 0.000 0.884 472 R CB 1.800 32.133 30.300 0.055 0.000 1.182 472 R HN 0.182 nan 8.270 nan 0.000 0.442 473 F N 2.678 122.435 119.950 -0.322 0.000 2.520 473 F HA 0.526 5.054 4.527 0.001 0.000 0.322 473 F C -0.498 175.119 175.800 -0.305 0.000 1.103 473 F CA -1.468 56.441 58.000 -0.151 0.000 0.926 473 F CB 1.290 40.170 39.000 -0.199 0.000 1.154 473 F HN 0.308 nan 8.300 nan 0.000 0.453 474 F N 1.170 121.313 119.950 0.323 0.000 2.477 474 F HA 0.669 5.197 4.527 0.001 0.000 0.335 474 F C 0.551 176.557 175.800 0.343 0.000 1.130 474 F CA -1.073 57.111 58.000 0.306 0.000 0.948 474 F CB 1.664 40.898 39.000 0.389 0.000 1.154 474 F HN 0.521 nan 8.300 nan 0.000 0.439 475 G N 2.036 111.077 108.800 0.402 0.000 2.461 475 G HA2 0.679 4.640 3.960 0.001 0.000 0.329 475 G HA3 0.679 4.640 3.960 0.001 0.000 0.329 475 G C -1.013 174.074 174.900 0.313 0.000 1.170 475 G CA -1.086 44.239 45.100 0.376 0.000 0.935 475 G HN 0.691 nan 8.290 nan 0.000 0.492 476 R N -0.782 119.898 120.500 0.300 0.000 2.474 476 R HA 0.671 5.012 4.340 0.001 0.000 0.295 476 R C -0.955 175.436 176.300 0.153 0.000 0.980 476 R CA -0.559 55.635 56.100 0.156 0.000 0.934 476 R CB 1.366 31.779 30.300 0.189 0.000 1.101 476 R HN 0.267 nan 8.270 nan 0.000 0.469 477 T N 2.257 116.862 114.554 0.086 0.000 2.779 477 T HA 0.153 4.504 4.350 0.001 0.000 0.280 477 T C -0.641 174.130 174.700 0.118 0.000 0.987 477 T CA -0.669 61.531 62.100 0.167 0.000 0.966 477 T CB 1.286 70.321 68.868 0.279 0.000 0.933 477 T HN 0.578 nan 8.240 nan 0.000 0.442 478 E N 4.039 124.312 120.200 0.122 0.000 2.480 478 E HA 0.094 4.445 4.350 0.001 0.000 0.258 478 E C -2.239 174.430 176.600 0.116 0.000 0.984 478 E CA -1.173 55.291 56.400 0.106 0.000 0.930 478 E CB 0.304 30.056 29.700 0.087 0.000 0.936 478 E HN 0.263 nan 8.360 nan 0.000 0.466 479 P HA 0.063 nan 4.420 nan 0.000 0.271 479 P C -1.048 176.397 177.300 0.243 0.000 1.233 479 P CA 0.176 63.408 63.100 0.220 0.000 0.764 479 P CB 0.635 32.486 31.700 0.251 0.000 0.825 480 K N 2.567 123.058 120.400 0.152 0.000 2.427 480 K HA 0.169 4.490 4.320 0.001 0.000 0.252 480 K C 0.872 177.314 176.600 -0.263 0.000 0.931 480 K CA -0.688 55.608 56.287 0.016 0.000 0.793 480 K CB 2.171 34.635 32.500 -0.061 0.000 1.211 480 K HN 0.405 nan 8.250 nan 0.000 0.426 481 E N 1.967 121.822 120.200 -0.576 0.000 2.118 481 E HA -0.218 4.133 4.350 0.001 0.000 0.195 481 E C 0.982 177.322 176.600 -0.433 0.000 0.992 481 E CA 1.548 57.364 56.400 -0.972 0.000 0.804 481 E CB 0.482 29.823 29.700 -0.599 0.000 0.741 481 E HN 0.547 nan 8.360 nan 0.000 0.458 482 E N 0.351 120.403 120.200 -0.247 0.000 2.358 482 E HA -0.091 4.260 4.350 0.001 0.000 0.195 482 E C -0.089 176.449 176.600 -0.104 0.000 1.010 482 E CA 0.224 56.537 56.400 -0.146 0.000 0.856 482 E CB -0.231 29.400 29.700 -0.114 0.000 0.795 482 E HN 0.095 nan 8.360 nan 0.000 0.504 483 N N 2.289 120.916 118.700 -0.121 0.000 2.411 483 N HA 0.157 4.897 4.740 0.001 0.000 0.259 483 N C -0.604 174.972 175.510 0.110 0.000 1.103 483 N CA 0.190 53.231 53.050 -0.015 0.000 0.954 483 N CB 1.057 39.494 38.487 -0.083 0.000 1.085 483 N HN 0.136 nan 8.380 nan 0.000 0.485 484 K N 1.217 121.738 120.400 0.202 0.000 2.426 484 K HA 0.428 4.749 4.320 0.001 0.000 0.251 484 K C -1.037 175.720 176.600 0.260 0.000 0.941 484 K CA -0.980 55.444 56.287 0.228 0.000 0.808 484 K CB 2.428 35.080 32.500 0.252 0.000 1.265 484 K HN 0.163 nan 8.250 nan 0.000 0.432 485 L N 4.252 125.566 121.223 0.152 0.000 2.276 485 L HA 0.505 4.846 4.340 0.001 0.000 0.286 485 L C -1.112 175.654 176.870 -0.172 0.000 1.024 485 L CA -0.121 54.630 54.840 -0.149 0.000 0.826 485 L CB 0.306 42.283 42.059 -0.136 0.000 1.211 485 L HN 0.683 nan 8.230 nan 0.000 0.422 486 W N 3.719 124.732 121.300 -0.478 0.000 2.967 486 W HA 0.651 5.312 4.660 0.001 0.000 0.342 486 W C -2.020 174.027 176.519 -0.787 0.000 1.162 486 W CA -1.306 55.795 57.345 -0.405 0.000 1.085 486 W CB 0.789 30.171 29.460 -0.132 0.000 1.460 486 W HN 0.303 nan 8.180 nan 0.000 0.584 487 F N 1.367 121.489 119.950 0.287 0.000 2.529 487 F HA 0.324 4.851 4.527 0.001 0.000 0.320 487 F C 0.842 176.799 175.800 0.261 0.000 1.118 487 F CA -0.971 57.088 58.000 0.099 0.000 0.915 487 F CB 1.975 41.011 39.000 0.059 0.000 1.161 487 F HN 0.271 nan 8.300 nan 0.000 0.445 488 S N 1.042 116.893 115.700 0.252 0.000 2.563 488 S HA -0.012 4.459 4.470 0.001 0.000 0.284 488 S C 0.765 175.504 174.600 0.232 0.000 1.331 488 S CA -0.247 58.122 58.200 0.282 0.000 1.047 488 S CB 0.295 63.573 63.200 0.130 0.000 0.859 488 S HN 0.704 nan 8.310 nan 0.000 0.514 489 D N 2.433 122.953 120.400 0.200 0.000 2.339 489 D HA 0.157 4.798 4.640 0.001 0.000 0.217 489 D C 0.939 177.292 176.300 0.088 0.000 1.050 489 D CA 0.300 54.374 54.000 0.124 0.000 0.856 489 D CB 0.206 41.063 40.800 0.095 0.000 0.922 489 D HN 0.461 nan 8.370 nan 0.000 0.518 490 K N -0.281 120.175 120.400 0.093 0.000 2.585 490 K HA 0.134 4.454 4.320 0.001 0.000 0.198 490 K C 0.019 176.654 176.600 0.058 0.000 1.403 490 K CA -0.249 56.078 56.287 0.066 0.000 1.021 490 K CB 0.882 33.423 32.500 0.068 0.000 1.558 490 K HN -0.052 nan 8.250 nan 0.000 0.524 491 I N 3.769 124.378 120.570 0.065 0.000 2.588 491 I HA 0.042 4.213 4.170 0.001 0.000 0.283 491 I C 0.569 176.716 176.117 0.050 0.000 1.119 491 I CA 0.491 61.820 61.300 0.048 0.000 1.419 491 I CB 0.661 38.682 38.000 0.034 0.000 1.394 491 I HN 0.286 nan 8.210 nan 0.000 0.562 492 T N 1.604 116.183 114.554 0.041 0.000 2.907 492 T HA 0.558 4.909 4.350 0.001 0.000 0.292 492 T C -0.337 174.393 174.700 0.050 0.000 1.043 492 T CA -0.982 61.148 62.100 0.050 0.000 1.003 492 T CB 2.391 71.281 68.868 0.038 0.000 1.084 492 T HN 0.536 nan 8.240 nan 0.000 0.483 493 D N 1.250 121.697 120.400 0.079 0.000 2.398 493 D HA 0.418 5.059 4.640 0.001 0.000 0.264 493 D C 1.619 177.964 176.300 0.075 0.000 1.263 493 D CA -0.296 53.762 54.000 0.096 0.000 1.037 493 D CB -0.076 40.823 40.800 0.164 0.000 1.101 493 D HN 0.671 nan 8.370 nan 0.000 0.551 494 A N -1.389 121.476 122.820 0.076 0.000 2.067 494 A HA -0.087 4.234 4.320 0.001 0.000 0.219 494 A C 1.180 178.622 177.584 -0.237 0.000 1.158 494 A CA 0.783 52.771 52.037 -0.081 0.000 0.661 494 A CB -0.870 18.048 19.000 -0.136 0.000 0.801 494 A HN 0.547 nan 8.150 nan 0.000 0.452 495 Y N -1.271 119.043 120.300 0.024 0.000 2.658 495 Y HA 0.266 4.817 4.550 0.001 0.000 0.276 495 Y C 0.701 176.603 175.900 0.003 0.000 1.167 495 Y CA -0.247 57.866 58.100 0.023 0.000 1.230 495 Y CB -0.336 38.131 38.460 0.012 0.000 1.144 495 Y HN 0.444 nan 8.280 nan 0.000 0.529 496 N N -0.019 118.737 118.700 0.093 0.000 2.776 496 N HA -0.157 4.584 4.740 0.001 0.000 0.249 496 N C -0.858 174.677 175.510 0.043 0.000 1.111 496 N CA 0.464 53.538 53.050 0.039 0.000 0.711 496 N CB -0.544 37.936 38.487 -0.010 0.000 1.065 496 N HN 0.113 nan 8.380 nan 0.000 0.556 497 M N -0.121 119.527 119.600 0.080 0.000 2.578 497 M HA 0.438 4.918 4.480 0.001 0.000 0.321 497 M C -2.151 174.196 176.300 0.079 0.000 1.182 497 M CA -1.985 53.349 55.300 0.056 0.000 0.965 497 M CB 0.938 33.571 32.600 0.054 0.000 1.694 497 M HN -0.231 nan 8.290 nan 0.000 0.461 498 P HA -0.083 nan 4.420 nan 0.000 0.259 498 P C -0.593 176.846 177.300 0.231 0.000 1.163 498 P CA 0.311 63.493 63.100 0.137 0.000 0.760 498 P CB 0.184 31.971 31.700 0.145 0.000 0.762 499 Q N 7.020 126.913 119.800 0.155 0.000 2.286 499 Q HA 0.179 4.520 4.340 0.001 0.000 0.267 499 Q C -2.228 173.750 176.000 -0.037 0.000 1.028 499 Q CA -2.098 53.750 55.803 0.075 0.000 0.901 499 Q CB -0.161 28.571 28.738 -0.010 0.000 1.183 499 Q HN 0.303 nan 8.270 nan 0.000 0.392 500 P HA 0.061 nan 4.420 nan 0.000 0.268 500 P C -1.035 175.820 177.300 -0.742 0.000 1.205 500 P CA -0.029 62.717 63.100 -0.589 0.000 0.771 500 P CB 0.841 32.261 31.700 -0.467 0.000 0.858 501 T N 2.758 116.646 114.554 -1.111 0.000 3.071 501 T HA 0.475 4.826 4.350 0.001 0.000 0.311 501 T C -0.581 173.475 174.700 -1.073 0.000 1.042 501 T CA -0.130 61.318 62.100 -1.086 0.000 1.028 501 T CB 0.413 68.315 68.868 -1.610 0.000 1.068 501 T HN 0.066 nan 8.240 nan 0.000 0.451 502 F N 1.813 121.479 119.950 -0.473 0.000 2.440 502 F HA 0.607 5.135 4.527 0.001 0.000 0.328 502 F C 0.692 176.427 175.800 -0.108 0.000 1.070 502 F CA -0.813 57.030 58.000 -0.261 0.000 1.011 502 F CB 1.092 39.992 39.000 -0.167 0.000 1.226 502 F HN 0.410 nan 8.300 nan 0.000 0.491 503 D N 2.391 122.961 120.400 0.284 0.000 2.330 503 D HA 0.187 4.828 4.640 0.001 0.000 0.249 503 D C -1.901 174.535 176.300 0.227 0.000 1.306 503 D CA -0.066 54.082 54.000 0.246 0.000 0.956 503 D CB 0.399 41.382 40.800 0.304 0.000 1.261 503 D HN 0.298 nan 8.370 nan 0.000 0.544 504 F N 2.994 122.932 119.950 -0.020 0.000 2.569 504 F HA 0.609 5.137 4.527 0.001 0.000 0.312 504 F C -1.160 174.532 175.800 -0.180 0.000 1.109 504 F CA -0.585 57.340 58.000 -0.125 0.000 0.919 504 F CB 1.449 40.310 39.000 -0.231 0.000 1.211 504 F HN 0.013 nan 8.300 nan 0.000 0.446 505 R N 4.156 124.208 120.500 -0.746 0.000 2.744 505 R HA 0.387 4.728 4.340 0.001 0.000 0.279 505 R C -1.607 174.136 176.300 -0.927 0.000 0.977 505 R CA -0.973 54.789 56.100 -0.563 0.000 0.906 505 R CB 1.729 31.867 30.300 -0.269 0.000 1.197 505 R HN 0.598 nan 8.270 nan 0.000 0.463 506 F N 2.829 122.611 119.950 -0.280 0.000 2.543 506 F HA 0.209 4.737 4.527 0.001 0.000 0.375 506 F C -1.320 174.366 175.800 -0.191 0.000 1.075 506 F CA -1.093 56.798 58.000 -0.181 0.000 1.225 506 F CB -0.051 38.937 39.000 -0.019 0.000 1.099 506 F HN 0.156 nan 8.300 nan 0.000 0.561 507 P HA 0.183 nan 4.420 nan 0.000 0.272 507 P C -0.673 176.635 177.300 0.013 0.000 1.223 507 P CA -0.241 62.830 63.100 -0.049 0.000 0.784 507 P CB 0.666 32.343 31.700 -0.038 0.000 0.923 508 A N 1.933 124.749 122.820 -0.007 0.000 2.366 508 A HA 0.581 4.902 4.320 0.001 0.000 0.250 508 A C 1.019 178.615 177.584 0.020 0.000 1.099 508 A CA 0.726 52.767 52.037 0.006 0.000 0.794 508 A CB -1.024 17.973 19.000 -0.005 0.000 1.056 508 A HN 0.809 nan 8.150 nan 0.000 0.499 509 G N -0.253 108.561 108.800 0.024 0.000 2.488 509 G HA2 -0.243 3.718 3.960 0.001 0.000 0.237 509 G HA3 -0.243 3.718 3.960 0.001 0.000 0.237 509 G C 0.993 175.922 174.900 0.049 0.000 1.209 509 G CA 0.698 45.818 45.100 0.034 0.000 0.929 509 G HN 0.961 nan 8.290 nan 0.000 0.578 510 R N -0.304 120.231 120.500 0.059 0.000 2.113 510 R HA -0.130 4.211 4.340 0.001 0.000 0.244 510 R C 2.857 179.215 176.300 0.098 0.000 1.142 510 R CA 2.874 59.021 56.100 0.078 0.000 0.953 510 R CB -0.938 29.411 30.300 0.082 0.000 0.860 510 R HN 0.648 nan 8.270 nan 0.000 0.438 511 T N -0.199 114.416 114.554 0.101 0.000 2.720 511 T HA -0.107 4.244 4.350 0.001 0.000 0.268 511 T C 1.938 176.699 174.700 0.100 0.000 1.037 511 T CA 1.708 63.885 62.100 0.128 0.000 1.144 511 T CB -0.145 68.816 68.868 0.154 0.000 0.864 511 T HN 0.239 nan 8.240 nan 0.000 0.444 512 S N 0.501 116.241 115.700 0.067 0.000 2.377 512 S HA -0.009 4.462 4.470 0.001 0.000 0.223 512 S C 2.043 176.655 174.600 0.019 0.000 1.030 512 S CA 0.996 59.206 58.200 0.016 0.000 0.970 512 S CB -0.143 63.061 63.200 0.006 0.000 0.830 512 S HN 0.573 nan 8.310 nan 0.000 0.473 513 K N 1.520 121.948 120.400 0.047 0.000 2.026 513 K HA -0.134 4.187 4.320 0.001 0.000 0.208 513 K C 1.870 178.529 176.600 0.099 0.000 1.048 513 K CA 1.650 57.973 56.287 0.061 0.000 0.929 513 K CB -0.192 32.347 32.500 0.065 0.000 0.713 513 K HN 0.304 nan 8.250 nan 0.000 0.439 514 E N 0.091 120.376 120.200 0.141 0.000 2.085 514 E HA -0.212 4.139 4.350 0.001 0.000 0.194 514 E C 2.035 178.740 176.600 0.176 0.000 0.994 514 E CA 1.074 57.616 56.400 0.236 0.000 0.801 514 E CB -0.198 29.666 29.700 0.272 0.000 0.743 514 E HN 0.507 nan 8.360 nan 0.000 0.453 515 A N 1.391 124.280 122.820 0.115 0.000 1.873 515 A HA -0.293 4.028 4.320 0.001 0.000 0.218 515 A C 2.113 179.786 177.584 0.148 0.000 1.193 515 A CA 2.047 54.149 52.037 0.109 0.000 0.629 515 A CB -0.479 18.511 19.000 -0.017 0.000 0.826 515 A HN 0.168 nan 8.150 nan 0.000 0.447 516 E N 0.177 120.436 120.200 0.099 0.000 2.112 516 E HA -0.112 4.239 4.350 0.001 0.000 0.190 516 E C 1.341 177.940 176.600 -0.002 0.000 0.979 516 E CA 1.337 57.796 56.400 0.099 0.000 0.814 516 E CB -0.305 29.420 29.700 0.041 0.000 0.762 516 E HN 0.530 nan 8.360 nan 0.000 0.460 517 D N -0.049 120.349 120.400 -0.003 0.000 2.178 517 D HA -0.168 4.473 4.640 0.001 0.000 0.201 517 D C 1.892 177.989 176.300 -0.339 0.000 0.980 517 D CA 1.013 54.996 54.000 -0.028 0.000 0.842 517 D CB -0.278 40.627 40.800 0.175 0.000 0.948 517 D HN 0.311 nan 8.370 nan 0.000 0.472 518 M N -0.147 119.072 119.600 -0.635 0.000 2.086 518 M HA -0.197 4.284 4.480 0.001 0.000 0.261 518 M C 2.089 177.963 176.300 -0.710 0.000 1.067 518 M CA 1.215 55.783 55.300 -1.221 0.000 1.116 518 M CB 0.009 32.108 32.600 -0.836 0.000 1.348 518 M HN -0.037 nan 8.290 nan 0.000 0.407 519 M N 0.270 119.582 119.600 -0.480 0.000 2.080 519 M HA -0.166 4.314 4.480 0.001 0.000 0.260 519 M C 1.749 177.811 176.300 -0.396 0.000 1.068 519 M CA 2.442 57.440 55.300 -0.503 0.000 1.109 519 M CB -0.991 31.366 32.600 -0.404 0.000 1.342 519 M HN 0.256 nan 8.290 nan 0.000 0.405 520 T N 0.029 114.429 114.554 -0.256 0.000 2.684 520 T HA -0.175 4.176 4.350 0.001 0.000 0.267 520 T C 1.520 176.130 174.700 -0.149 0.000 1.036 520 T CA 1.841 63.845 62.100 -0.160 0.000 1.148 520 T CB -0.664 68.162 68.868 -0.071 0.000 0.863 520 T HN 0.541 nan 8.240 nan 0.000 0.436 521 D N 0.471 120.779 120.400 -0.153 0.000 2.144 521 D HA -0.062 4.579 4.640 0.001 0.000 0.199 521 D C 2.063 178.326 176.300 -0.061 0.000 0.984 521 D CA 0.838 54.862 54.000 0.040 0.000 0.834 521 D CB -0.239 40.695 40.800 0.223 0.000 0.955 521 D HN 0.281 nan 8.370 nan 0.000 0.465 522 M N -0.532 118.781 119.600 -0.478 0.000 2.117 522 M HA -0.187 4.294 4.480 0.001 0.000 0.262 522 M C 1.989 177.975 176.300 -0.523 0.000 1.065 522 M CA 1.352 56.097 55.300 -0.926 0.000 1.114 522 M CB -0.139 31.699 32.600 -1.271 0.000 1.361 522 M HN 0.202 nan 8.290 nan 0.000 0.408 523 C N -0.511 118.591 119.300 -0.331 0.000 2.429 523 C HA -0.112 4.349 4.460 0.001 0.000 0.277 523 C C 2.654 177.549 174.990 -0.158 0.000 1.262 523 C CA 0.834 59.769 59.018 -0.139 0.000 1.733 523 C CB -0.989 26.712 27.740 -0.065 0.000 2.010 523 C HN 0.488 nan 8.230 nan 0.000 0.483 524 V N 0.407 120.255 119.914 -0.111 0.000 2.379 524 V HA -0.232 3.889 4.120 0.001 0.000 0.245 524 V C 2.357 178.420 176.094 -0.052 0.000 1.044 524 V CA 2.064 64.332 62.300 -0.054 0.000 1.036 524 V CB -0.591 31.253 31.823 0.036 0.000 0.664 524 V HN 0.592 nan 8.190 nan 0.000 0.453 525 M N 0.418 120.014 119.600 -0.007 0.000 2.236 525 M HA -0.111 4.370 4.480 0.001 0.000 0.266 525 M C 2.470 178.618 176.300 -0.254 0.000 1.070 525 M CA 1.893 57.259 55.300 0.111 0.000 1.137 525 M CB -0.094 32.755 32.600 0.415 0.000 1.378 525 M HN 0.545 nan 8.290 nan 0.000 0.426 526 S N 0.922 116.160 115.700 -0.770 0.000 2.356 526 S HA -0.103 4.368 4.470 0.001 0.000 0.223 526 S C 2.083 176.287 174.600 -0.661 0.000 1.032 526 S CA 1.155 58.483 58.200 -1.453 0.000 1.005 526 S CB -0.999 61.244 63.200 -1.596 0.000 0.867 526 S HN 0.569 nan 8.310 nan 0.000 0.449 527 A N 2.539 125.057 122.820 -0.503 0.000 1.971 527 A HA -0.234 4.087 4.320 0.001 0.000 0.222 527 A C 2.200 179.653 177.584 -0.218 0.000 1.182 527 A CA 2.097 53.914 52.037 -0.366 0.000 0.649 527 A CB -0.871 17.950 19.000 -0.299 0.000 0.818 527 A HN 0.713 nan 8.150 nan 0.000 0.458 528 K N -1.148 119.163 120.400 -0.148 0.000 2.362 528 K HA -0.015 4.306 4.320 0.001 0.000 0.200 528 K C 1.164 177.749 176.600 -0.026 0.000 1.046 528 K CA 0.885 57.126 56.287 -0.077 0.000 0.952 528 K CB -0.046 32.424 32.500 -0.050 0.000 0.753 528 K HN 0.457 nan 8.250 nan 0.000 0.466 529 I N -0.988 119.585 120.570 0.005 0.000 3.445 529 I HA 0.171 4.341 4.170 0.001 0.000 0.288 529 I C 1.036 177.174 176.117 0.036 0.000 1.198 529 I CA 0.512 61.871 61.300 0.099 0.000 1.417 529 I CB 0.194 38.397 38.000 0.338 0.000 1.205 529 I HN 0.081 nan 8.210 nan 0.000 0.448 530 G N -0.520 108.249 108.800 -0.052 0.000 2.338 530 G HA2 0.446 4.407 3.960 0.001 0.000 0.295 530 G HA3 0.446 4.407 3.960 0.001 0.000 0.295 530 G C -0.549 174.200 174.900 -0.251 0.000 1.461 530 G CA -0.205 44.834 45.100 -0.101 0.000 0.817 530 G HN 0.276 nan 8.290 nan 0.000 0.556 531 G N -0.905 107.741 108.800 -0.256 0.000 2.569 531 G HA2 0.529 4.490 3.960 0.001 0.000 0.249 531 G HA3 0.529 4.490 3.960 0.001 0.000 0.249 531 G C -0.023 174.695 174.900 -0.303 0.000 1.216 531 G CA -0.432 44.427 45.100 -0.400 0.000 0.845 531 G HN 0.517 nan 8.290 nan 0.000 0.568 532 F N -0.547 119.322 119.950 -0.135 0.000 2.595 532 F HA 0.177 4.705 4.527 0.001 0.000 0.359 532 F C 0.699 176.454 175.800 -0.076 0.000 1.147 532 F CA -0.702 57.217 58.000 -0.135 0.000 1.341 532 F CB 0.444 39.350 39.000 -0.156 0.000 1.104 532 F HN 0.208 nan 8.300 nan 0.000 0.603 533 L N 5.657 126.962 121.223 0.136 0.000 2.281 533 L HA 0.465 4.805 4.340 0.001 0.000 0.285 533 L C -2.480 174.448 176.870 0.097 0.000 1.074 533 L CA -2.160 52.735 54.840 0.092 0.000 0.817 533 L CB 0.239 42.352 42.059 0.089 0.000 1.168 533 L HN 0.261 nan 8.230 nan 0.000 0.434 534 P HA 0.193 nan 4.420 nan 0.000 0.264 534 P C 0.643 178.002 177.300 0.100 0.000 1.183 534 P CA 1.094 64.241 63.100 0.079 0.000 0.763 534 P CB 0.637 32.376 31.700 0.065 0.000 0.807 535 G N 2.071 110.922 108.800 0.085 0.000 2.225 535 G HA2 -0.235 3.725 3.960 0.001 0.000 0.254 535 G HA3 -0.235 3.725 3.960 0.001 0.000 0.254 535 G C 0.414 175.405 174.900 0.152 0.000 0.988 535 G CA 0.228 45.400 45.100 0.119 0.000 0.625 535 G HN 0.530 nan 8.290 nan 0.000 0.527 536 S N 0.779 116.541 115.700 0.102 0.000 2.526 536 S HA 0.538 5.009 4.470 0.001 0.000 0.220 536 S C 0.411 174.928 174.600 -0.139 0.000 1.159 536 S CA -0.563 57.682 58.200 0.075 0.000 1.196 536 S CB 0.367 63.593 63.200 0.042 0.000 1.225 536 S HN 0.470 nan 8.310 nan 0.000 0.432 537 L N 1.540 122.673 121.223 -0.149 0.000 2.468 537 L HA 0.420 4.761 4.340 0.001 0.000 0.254 537 L C -2.324 174.255 176.870 -0.484 0.000 1.171 537 L CA -2.510 52.108 54.840 -0.370 0.000 0.809 537 L CB -0.065 41.837 42.059 -0.262 0.000 1.155 537 L HN 0.043 nan 8.230 nan 0.000 0.473 538 P HA 0.047 nan 4.420 nan 0.000 0.267 538 P C -1.410 175.658 177.300 -0.386 0.000 1.205 538 P CA 0.025 62.743 63.100 -0.636 0.000 0.765 538 P CB 0.462 31.703 31.700 -0.765 0.000 0.828 539 Q N 1.921 121.535 119.800 -0.310 0.000 2.426 539 Q HA 0.442 4.783 4.340 0.001 0.000 0.278 539 Q C -1.506 174.357 176.000 -0.228 0.000 1.007 539 Q CA -0.830 54.866 55.803 -0.178 0.000 0.850 539 Q CB 0.722 29.434 28.738 -0.043 0.000 1.427 539 Q HN 0.093 nan 8.270 nan 0.000 0.391 540 F N 1.878 121.767 119.950 -0.101 0.000 2.456 540 F HA 0.281 4.809 4.527 0.001 0.000 0.358 540 F C 0.588 176.349 175.800 -0.065 0.000 1.095 540 F CA -0.286 57.652 58.000 -0.103 0.000 1.216 540 F CB 0.896 39.819 39.000 -0.129 0.000 1.125 540 F HN 0.393 nan 8.300 nan 0.000 0.549 541 M N 2.007 121.652 119.600 0.075 0.000 2.255 541 M HA 0.116 4.597 4.480 0.001 0.000 0.336 541 M C 0.337 176.664 176.300 0.046 0.000 1.135 541 M CA -0.438 54.874 55.300 0.020 0.000 1.145 541 M CB 0.473 33.044 32.600 -0.048 0.000 1.473 541 M HN 0.572 nan 8.290 nan 0.000 0.462 542 E N 2.904 123.110 120.200 0.010 0.000 2.765 542 E HA -0.045 4.306 4.350 0.001 0.000 0.256 542 E C -2.130 174.482 176.600 0.020 0.000 0.935 542 E CA -1.049 55.356 56.400 0.008 0.000 0.954 542 E CB 0.287 29.971 29.700 -0.027 0.000 0.908 542 E HN 0.208 nan 8.360 nan 0.000 0.500 543 P HA 0.006 nan 4.420 nan 0.000 0.263 543 P C 0.319 177.556 177.300 -0.105 0.000 1.195 543 P CA 1.013 64.147 63.100 0.057 0.000 0.762 543 P CB 0.634 32.380 31.700 0.078 0.000 0.799 544 G N 2.591 111.328 108.800 -0.105 0.000 2.199 544 G HA2 -0.333 3.628 3.960 0.001 0.000 0.254 544 G HA3 -0.333 3.628 3.960 0.001 0.000 0.254 544 G C 0.788 175.637 174.900 -0.084 0.000 0.982 544 G CA 0.214 45.213 45.100 -0.168 0.000 0.632 544 G HN 0.521 nan 8.290 nan 0.000 0.529 545 L N 0.960 122.148 121.223 -0.059 0.000 2.081 545 L HA 0.039 4.380 4.340 0.001 0.000 0.212 545 L C 2.881 179.728 176.870 -0.039 0.000 1.080 545 L CA 2.645 57.456 54.840 -0.048 0.000 0.754 545 L CB -0.557 41.466 42.059 -0.060 0.000 0.893 545 L HN 0.510 nan 8.230 nan 0.000 0.433 546 V N -0.255 119.631 119.914 -0.047 0.000 2.568 546 V HA -0.214 3.907 4.120 0.001 0.000 0.253 546 V C 1.597 177.596 176.094 -0.158 0.000 1.072 546 V CA 1.409 63.647 62.300 -0.104 0.000 1.084 546 V CB -0.298 31.478 31.823 -0.079 0.000 0.676 546 V HN 0.509 nan 8.190 nan 0.000 0.469 547 L N -0.043 121.172 121.223 -0.015 0.000 3.548 547 L HA -0.247 4.094 4.340 0.001 0.000 0.443 547 L C 0.319 177.378 176.870 0.315 0.000 1.286 547 L CA 0.877 55.788 54.840 0.118 0.000 0.863 547 L CB -2.241 39.913 42.059 0.158 0.000 1.734 547 L HN 0.588 nan 8.230 nan 0.000 0.873 548 H N -0.908 118.267 119.070 0.174 0.000 2.510 548 H HA 0.252 4.809 4.556 0.001 0.000 0.266 548 H C 0.554 176.025 175.328 0.237 0.000 1.146 548 H CA -1.116 55.077 56.048 0.242 0.000 0.993 548 H CB 0.724 30.669 29.762 0.305 0.000 1.727 548 H HN 0.226 nan 8.280 nan 0.000 0.590 549 L N 1.950 123.325 121.223 0.253 0.000 2.559 549 L HA 0.150 4.491 4.340 0.001 0.000 0.282 549 L C 0.562 177.579 176.870 0.245 0.000 1.232 549 L CA 0.791 55.730 54.840 0.165 0.000 0.885 549 L CB 0.378 42.499 42.059 0.104 0.000 1.131 549 L HN 0.252 nan 8.230 nan 0.000 0.498 550 G N 2.004 110.957 108.800 0.255 0.000 2.569 550 G HA2 0.555 4.516 3.960 0.001 0.000 0.300 550 G HA3 0.555 4.516 3.960 0.001 0.000 0.300 550 G C 0.273 175.285 174.900 0.186 0.000 1.269 550 G CA -0.348 44.927 45.100 0.291 0.000 0.959 550 G HN 1.471 nan 8.290 nan 0.000 0.478 551 G N -0.738 108.128 108.800 0.109 0.000 2.143 551 G HA2 -0.213 3.748 3.960 0.001 0.000 0.248 551 G HA3 -0.213 3.748 3.960 0.001 0.000 0.248 551 G C 1.180 176.132 174.900 0.087 0.000 0.991 551 G CA 1.427 46.591 45.100 0.108 0.000 0.689 551 G HN 1.781 nan 8.290 nan 0.000 0.522 552 T N -2.180 112.370 114.554 -0.008 0.000 3.035 552 T HA 0.161 4.512 4.350 0.001 0.000 0.268 552 T C 0.996 175.761 174.700 0.109 0.000 1.109 552 T CA 1.768 63.909 62.100 0.068 0.000 1.119 552 T CB -0.249 68.669 68.868 0.083 0.000 0.900 552 T HN 1.490 nan 8.240 nan 0.000 0.503 553 H N -0.198 118.948 119.070 0.128 0.000 2.695 553 H HA 0.472 5.028 4.556 0.001 0.000 0.222 553 H C -0.122 175.253 175.328 0.078 0.000 1.412 553 H CA -1.359 54.742 56.048 0.088 0.000 1.347 553 H CB -0.266 29.514 29.762 0.029 0.000 1.858 553 H HN 0.334 nan 8.280 nan 0.000 0.519 554 R N 0.683 121.258 120.500 0.124 0.000 2.707 554 R HA 0.358 4.699 4.340 0.001 0.000 0.270 554 R C -0.330 176.028 176.300 0.096 0.000 1.083 554 R CA -0.782 55.367 56.100 0.081 0.000 1.182 554 R CB 0.950 31.292 30.300 0.069 0.000 1.084 554 R HN 0.459 nan 8.270 nan 0.000 0.528 555 M N 0.696 120.327 119.600 0.051 0.000 2.423 555 M HA 0.507 4.988 4.480 0.001 0.000 0.335 555 M C -0.744 175.540 176.300 -0.026 0.000 1.177 555 M CA -0.111 55.197 55.300 0.014 0.000 1.038 555 M CB 1.975 34.559 32.600 -0.027 0.000 1.641 555 M HN 0.937 nan 8.290 nan 0.000 0.455 556 G N 2.033 110.823 108.800 -0.017 0.000 2.600 556 G HA2 0.454 4.415 3.960 0.001 0.000 0.293 556 G HA3 0.454 4.415 3.960 0.001 0.000 0.293 556 G C -1.003 173.886 174.900 -0.018 0.000 1.408 556 G CA -0.620 44.423 45.100 -0.095 0.000 0.782 556 G HN 0.679 nan 8.290 nan 0.000 0.482 557 F N -0.130 119.918 119.950 0.163 0.000 2.219 557 F HA 0.274 4.803 4.527 0.003 0.000 0.294 557 F C 1.044 176.985 175.800 0.236 0.000 1.086 557 F CA 0.945 59.045 58.000 0.166 0.000 1.330 557 F CB 0.405 39.461 39.000 0.093 0.000 1.047 557 F HN 0.357 nan 8.300 nan 0.000 0.495 558 D N -0.634 119.941 120.400 0.292 0.000 2.593 558 D HA 0.126 4.767 4.640 0.001 0.000 0.251 558 D C 0.784 176.935 176.300 -0.247 0.000 1.140 558 D CA -0.215 53.809 54.000 0.039 0.000 0.855 558 D CB 1.241 42.071 40.800 0.050 0.000 1.267 558 D HN 0.130 nan 8.370 nan 0.000 0.532 559 E N 2.915 122.612 120.200 -0.838 0.000 2.065 559 E HA -0.297 4.054 4.350 0.001 0.000 0.201 559 E C 1.219 177.627 176.600 -0.319 0.000 1.016 559 E CA 1.201 57.061 56.400 -0.900 0.000 0.818 559 E CB 0.305 29.345 29.700 -1.099 0.000 0.749 559 E HN 0.264 nan 8.360 nan 0.000 0.453 560 K N 0.388 120.658 120.400 -0.217 0.000 2.044 560 K HA -0.087 4.234 4.320 0.001 0.000 0.204 560 K C 2.044 178.613 176.600 -0.053 0.000 1.049 560 K CA 1.245 57.475 56.287 -0.096 0.000 0.945 560 K CB -0.073 32.386 32.500 -0.069 0.000 0.724 560 K HN 0.198 nan 8.250 nan 0.000 0.440 561 E N 0.473 120.648 120.200 -0.040 0.000 2.110 561 E HA -0.150 4.201 4.350 0.001 0.000 0.193 561 E C 0.701 177.298 176.600 -0.005 0.000 0.988 561 E CA 1.099 57.497 56.400 -0.004 0.000 0.804 561 E CB 0.106 29.820 29.700 0.022 0.000 0.745 561 E HN 0.292 nan 8.360 nan 0.000 0.458 562 D N 0.013 120.402 120.400 -0.018 0.000 2.368 562 D HA 0.057 4.698 4.640 0.001 0.000 0.218 562 D C -0.686 175.534 176.300 -0.133 0.000 1.112 562 D CA -0.029 53.949 54.000 -0.037 0.000 0.834 562 D CB 0.039 40.852 40.800 0.021 0.000 0.953 562 D HN 0.100 nan 8.370 nan 0.000 0.505 563 N N 0.806 119.427 118.700 -0.132 0.000 2.614 563 N HA -0.188 4.553 4.740 0.001 0.000 0.276 563 N C -0.349 175.064 175.510 -0.162 0.000 1.119 563 N CA 0.477 53.421 53.050 -0.176 0.000 0.742 563 N CB -1.249 36.979 38.487 -0.433 0.000 0.900 563 N HN 0.414 nan 8.380 nan 0.000 0.549 564 C N -2.662 116.622 119.300 -0.026 0.000 3.318 564 C HA 0.759 5.220 4.460 0.001 0.000 0.322 564 C C 1.152 176.280 174.990 0.230 0.000 1.398 564 C CA -0.663 58.406 59.018 0.086 0.000 1.339 564 C CB 1.501 29.305 27.740 0.107 0.000 1.668 564 C HN 0.533 nan 8.230 nan 0.000 0.462 565 C N 0.329 119.817 119.300 0.313 0.000 2.937 565 C HA 0.494 4.955 4.460 0.001 0.000 0.426 565 C C 0.747 175.906 174.990 0.281 0.000 1.321 565 C CA 0.730 59.945 59.018 0.327 0.000 2.082 565 C CB -0.168 27.693 27.740 0.202 0.000 2.834 565 C HN 0.992 nan 8.230 nan 0.000 0.593 566 V N 1.536 121.510 119.914 0.100 0.000 2.960 566 V HA 0.722 4.843 4.120 0.001 0.000 0.315 566 V C -0.665 175.171 176.094 -0.430 0.000 1.087 566 V CA -0.593 61.542 62.300 -0.276 0.000 0.982 566 V CB 1.506 33.244 31.823 -0.141 0.000 1.039 566 V HN 0.448 nan 8.190 nan 0.000 0.437 567 N N 0.476 118.749 118.700 -0.712 0.000 2.593 567 N HA 0.284 5.025 4.740 0.001 0.000 0.304 567 N C 0.962 176.341 175.510 -0.219 0.000 1.296 567 N CA 0.159 52.962 53.050 -0.412 0.000 0.950 567 N CB -0.136 38.079 38.487 -0.453 0.000 1.127 567 N HN 0.887 nan 8.380 nan 0.000 0.587 568 T N -4.568 109.901 114.554 -0.141 0.000 3.160 568 T HA 0.053 4.404 4.350 0.001 0.000 0.257 568 T C -0.022 174.600 174.700 -0.131 0.000 1.147 568 T CA 0.565 62.585 62.100 -0.134 0.000 1.064 568 T CB -0.378 68.448 68.868 -0.070 0.000 0.949 568 T HN 0.462 nan 8.240 nan 0.000 0.526 569 D N 0.699 121.012 120.400 -0.144 0.000 2.369 569 D HA 0.216 4.857 4.640 0.001 0.000 0.211 569 D C 0.540 176.838 176.300 -0.002 0.000 1.077 569 D CA 0.015 53.947 54.000 -0.113 0.000 0.842 569 D CB 0.336 40.971 40.800 -0.275 0.000 0.947 569 D HN 0.297 nan 8.370 nan 0.000 0.509 570 S N 0.316 115.989 115.700 -0.046 0.000 3.382 570 S HA -0.233 4.238 4.470 0.001 0.000 0.293 570 S C 0.566 175.187 174.600 0.036 0.000 1.262 570 S CA 0.367 58.583 58.200 0.026 0.000 0.969 570 S CB -1.241 62.046 63.200 0.144 0.000 1.136 570 S HN 0.436 nan 8.310 nan 0.000 0.635 571 R N 1.343 121.775 120.500 -0.114 0.000 2.389 571 R HA 0.377 4.718 4.340 0.001 0.000 0.295 571 R C 0.062 176.096 176.300 -0.444 0.000 1.075 571 R CA -0.202 55.628 56.100 -0.449 0.000 1.005 571 R CB 0.533 30.538 30.300 -0.492 0.000 0.987 571 R HN 0.149 nan 8.270 nan 0.000 0.452 572 V N 6.392 126.069 119.914 -0.396 0.000 2.529 572 V HA -0.028 4.092 4.120 0.001 0.000 0.292 572 V C 0.245 176.287 176.094 -0.087 0.000 1.028 572 V CA 0.295 62.441 62.300 -0.257 0.000 1.074 572 V CB -0.091 31.535 31.823 -0.328 0.000 0.958 572 V HN 0.555 nan 8.190 nan 0.000 0.481 573 F N 3.650 123.638 119.950 0.063 0.000 2.629 573 F HA 0.363 4.891 4.527 0.001 0.000 0.377 573 F C 1.627 177.559 175.800 0.219 0.000 1.101 573 F CA 1.624 59.691 58.000 0.111 0.000 1.301 573 F CB -0.041 39.018 39.000 0.098 0.000 1.062 573 F HN 0.794 nan 8.300 nan 0.000 0.583 574 G N 2.068 111.053 108.800 0.308 0.000 2.234 574 G HA2 -0.323 3.637 3.960 0.001 0.000 0.260 574 G HA3 -0.323 3.637 3.960 0.001 0.000 0.260 574 G C -0.072 174.803 174.900 -0.042 0.000 0.987 574 G CA -0.302 44.875 45.100 0.130 0.000 0.625 574 G HN 0.443 nan 8.290 nan 0.000 0.532 575 F N 0.508 120.490 119.950 0.052 0.000 2.436 575 F HA 0.652 5.180 4.527 0.002 0.000 0.340 575 F C 1.271 177.061 175.800 -0.016 0.000 1.113 575 F CA -0.997 57.017 58.000 0.023 0.000 1.022 575 F CB 1.685 40.695 39.000 0.017 0.000 1.128 575 F HN -0.260 nan 8.300 nan 0.000 0.466 576 K N 1.756 122.266 120.400 0.183 0.000 2.155 576 K HA -0.042 4.279 4.320 0.001 0.000 0.203 576 K C 0.785 177.603 176.600 0.364 0.000 1.052 576 K CA 0.959 57.393 56.287 0.245 0.000 0.948 576 K CB -0.039 32.610 32.500 0.249 0.000 0.728 576 K HN 0.704 nan 8.250 nan 0.000 0.448 577 N N -0.147 118.706 118.700 0.256 0.000 2.305 577 N HA 0.026 4.767 4.740 0.001 0.000 0.248 577 N C -0.759 174.790 175.510 0.065 0.000 1.290 577 N CA -0.348 52.862 53.050 0.267 0.000 0.873 577 N CB -0.111 38.591 38.487 0.358 0.000 1.261 577 N HN -0.097 nan 8.380 nan 0.000 0.504 578 L N 0.966 122.011 121.223 -0.297 0.000 2.319 578 L HA 0.669 5.010 4.340 0.001 0.000 0.281 578 L C -1.738 174.696 176.870 -0.727 0.000 1.005 578 L CA -0.659 53.987 54.840 -0.323 0.000 0.828 578 L CB 0.575 42.443 42.059 -0.317 0.000 1.227 578 L HN -0.026 nan 8.230 nan 0.000 0.415 579 F N 4.956 124.845 119.950 -0.101 0.000 2.546 579 F HA 0.665 5.193 4.527 0.001 0.000 0.320 579 F C -0.405 175.264 175.800 -0.219 0.000 1.076 579 F CA -0.816 57.111 58.000 -0.121 0.000 0.928 579 F CB 1.544 40.535 39.000 -0.015 0.000 1.189 579 F HN 0.179 nan 8.300 nan 0.000 0.465 580 L N 1.732 122.919 121.223 -0.061 0.000 2.334 580 L HA 0.924 5.265 4.340 0.001 0.000 0.276 580 L C 0.140 177.024 176.870 0.024 0.000 1.014 580 L CA -0.864 53.874 54.840 -0.171 0.000 0.815 580 L CB 1.761 43.556 42.059 -0.441 0.000 1.268 580 L HN 0.790 nan 8.230 nan 0.000 0.428 581 G N 0.064 108.877 108.800 0.021 0.000 2.524 581 G HA2 0.787 4.748 3.960 0.001 0.000 0.310 581 G HA3 0.787 4.748 3.960 0.001 0.000 0.310 581 G C -0.546 174.462 174.900 0.181 0.000 1.279 581 G CA -0.312 44.897 45.100 0.182 0.000 0.974 581 G HN 0.984 nan 8.290 nan 0.000 0.484 582 G N -1.178 107.734 108.800 0.187 0.000 2.353 582 G HA2 0.095 4.056 3.960 0.001 0.000 0.424 582 G HA3 0.095 4.056 3.960 0.001 0.000 0.424 582 G C 0.737 175.696 174.900 0.099 0.000 1.320 582 G CA 0.083 45.271 45.100 0.147 0.000 0.995 582 G HN 1.114 nan 8.290 nan 0.000 0.580 583 C N 0.553 119.890 119.300 0.062 0.000 2.419 583 C HA 0.158 4.619 4.460 0.001 0.000 0.281 583 C C 3.061 178.040 174.990 -0.020 0.000 1.336 583 C CA 1.961 60.996 59.018 0.028 0.000 1.770 583 C CB -1.352 26.438 27.740 0.083 0.000 1.929 583 C HN 1.242 nan 8.230 nan 0.000 0.509 584 G N 1.247 109.957 108.800 -0.150 0.000 2.462 584 G HA2 -0.234 3.727 3.960 0.001 0.000 0.220 584 G HA3 -0.234 3.727 3.960 0.001 0.000 0.220 584 G C 1.407 175.971 174.900 -0.561 0.000 1.121 584 G CA 0.851 45.607 45.100 -0.574 0.000 0.758 584 G HN 0.555 nan 8.290 nan 0.000 0.559 585 N N 0.521 119.088 118.700 -0.221 0.000 2.223 585 N HA -0.034 4.707 4.740 0.001 0.000 0.185 585 N C 0.970 176.492 175.510 0.020 0.000 1.016 585 N CA 0.324 53.384 53.050 0.017 0.000 0.863 585 N CB -0.111 38.438 38.487 0.103 0.000 0.983 585 N HN 0.323 nan 8.380 nan 0.000 0.429 586 I N 2.774 123.355 120.570 0.018 0.000 2.517 586 I HA 0.024 4.195 4.170 0.001 0.000 0.285 586 I C -1.380 174.818 176.117 0.135 0.000 1.106 586 I CA -1.059 60.275 61.300 0.057 0.000 1.402 586 I CB 1.214 39.188 38.000 -0.044 0.000 1.399 586 I HN -0.043 nan 8.210 nan 0.000 0.535 587 P HA 0.067 nan 4.420 nan 0.000 0.267 587 P C 0.225 177.615 177.300 0.150 0.000 1.289 587 P CA 0.198 63.364 63.100 0.110 0.000 0.866 587 P CB 0.149 31.871 31.700 0.037 0.000 1.309 588 T N -2.266 112.415 114.554 0.212 0.000 2.897 588 T HA 0.683 5.034 4.350 0.001 0.000 0.278 588 T C 0.159 175.025 174.700 0.276 0.000 0.981 588 T CA -0.900 61.325 62.100 0.210 0.000 0.973 588 T CB 1.113 70.084 68.868 0.172 0.000 1.092 588 T HN 0.027 nan 8.240 nan 0.000 0.543 589 A N 1.799 124.703 122.820 0.139 0.000 2.316 589 A HA 0.618 4.939 4.320 0.001 0.000 0.311 589 A C -0.718 176.828 177.584 -0.063 0.000 1.339 589 A CA -0.883 51.169 52.037 0.025 0.000 0.960 589 A CB -0.888 18.144 19.000 0.053 0.000 1.152 589 A HN 0.839 nan 8.150 nan 0.000 0.547 590 Y N -0.475 119.730 120.300 -0.158 0.000 2.499 590 Y HA 0.737 5.288 4.550 0.001 0.000 0.347 590 Y C 0.727 176.500 175.900 -0.211 0.000 0.987 590 Y CA -0.778 57.040 58.100 -0.470 0.000 1.044 590 Y CB 1.407 39.304 38.460 -0.938 0.000 1.245 590 Y HN 0.351 nan 8.280 nan 0.000 0.461 591 G N 0.432 109.135 108.800 -0.161 0.000 2.724 591 G HA2 0.401 4.362 3.960 0.001 0.000 0.205 591 G HA3 0.401 4.362 3.960 0.001 0.000 0.205 591 G C 0.448 175.444 174.900 0.161 0.000 1.112 591 G CA 0.187 45.400 45.100 0.188 0.000 0.793 591 G HN 0.956 nan 8.290 nan 0.000 0.526 592 A N 0.708 123.443 122.820 -0.142 0.000 2.327 592 A HA 0.490 4.810 4.320 0.001 0.000 0.255 592 A C -0.127 177.375 177.584 -0.136 0.000 1.099 592 A CA -0.410 51.418 52.037 -0.349 0.000 0.801 592 A CB 0.063 18.834 19.000 -0.382 0.000 1.062 592 A HN 0.335 nan 8.150 nan 0.000 0.496 593 N N 1.431 119.947 118.700 -0.306 0.000 2.497 593 N HA 0.302 5.043 4.740 0.001 0.000 0.271 593 N C -2.078 173.377 175.510 -0.093 0.000 1.142 593 N CA -1.157 51.694 53.050 -0.332 0.000 0.965 593 N CB 0.600 38.951 38.487 -0.226 0.000 1.077 593 N HN 0.373 nan 8.380 nan 0.000 0.462 594 P HA -0.004 nan 4.420 nan 0.000 0.235 594 P C 0.570 177.806 177.300 -0.106 0.000 1.177 594 P CA 0.723 63.788 63.100 -0.060 0.000 0.785 594 P CB 0.288 31.935 31.700 -0.089 0.000 0.885 595 T N 0.966 115.515 114.554 -0.008 0.000 2.720 595 T HA -0.146 4.205 4.350 0.001 0.000 0.268 595 T C 1.762 176.549 174.700 0.145 0.000 1.037 595 T CA 1.047 63.189 62.100 0.070 0.000 1.144 595 T CB -0.874 68.052 68.868 0.096 0.000 0.864 595 T HN 0.015 nan 8.240 nan 0.000 0.444 596 L N 1.052 122.382 121.223 0.178 0.000 2.042 596 L HA -0.111 4.229 4.340 0.001 0.000 0.210 596 L C 2.551 179.507 176.870 0.144 0.000 1.076 596 L CA 1.793 56.786 54.840 0.255 0.000 0.749 596 L CB -1.074 41.120 42.059 0.225 0.000 0.893 596 L HN 0.190 nan 8.230 nan 0.000 0.432 597 T N -0.415 114.094 114.554 -0.074 0.000 2.788 597 T HA -0.150 4.201 4.350 0.001 0.000 0.268 597 T C 1.875 176.498 174.700 -0.128 0.000 1.044 597 T CA 1.237 63.179 62.100 -0.263 0.000 1.139 597 T CB -0.457 67.774 68.868 -1.061 0.000 0.867 597 T HN 0.527 nan 8.240 nan 0.000 0.454 598 A N 1.378 124.136 122.820 -0.102 0.000 1.933 598 A HA -0.009 4.312 4.320 0.001 0.000 0.218 598 A C 2.281 179.855 177.584 -0.017 0.000 1.175 598 A CA 1.668 53.685 52.037 -0.033 0.000 0.628 598 A CB -0.652 18.346 19.000 -0.003 0.000 0.814 598 A HN 0.563 nan 8.150 nan 0.000 0.444 599 M N -0.562 119.037 119.600 -0.001 0.000 2.200 599 M HA -0.090 4.390 4.480 0.001 0.000 0.265 599 M C 1.979 178.228 176.300 -0.085 0.000 1.066 599 M CA 1.980 57.261 55.300 -0.032 0.000 1.127 599 M CB -0.107 32.485 32.600 -0.015 0.000 1.379 599 M HN 0.313 nan 8.290 nan 0.000 0.420 600 S N 1.377 117.023 115.700 -0.090 0.000 2.356 600 S HA -0.075 4.396 4.470 0.001 0.000 0.223 600 S C 1.784 176.221 174.600 -0.272 0.000 1.032 600 S CA 1.402 59.487 58.200 -0.192 0.000 1.005 600 S CB -0.532 62.515 63.200 -0.256 0.000 0.867 600 S HN 0.531 nan 8.310 nan 0.000 0.449 601 L N 1.201 122.293 121.223 -0.218 0.000 2.079 601 L HA -0.165 4.176 4.340 0.001 0.000 0.210 601 L C 2.793 179.549 176.870 -0.190 0.000 1.081 601 L CA 1.265 55.977 54.840 -0.215 0.000 0.752 601 L CB -0.803 41.196 42.059 -0.100 0.000 0.896 601 L HN 0.326 nan 8.230 nan 0.000 0.433 602 A N 0.392 123.109 122.820 -0.172 0.000 1.898 602 A HA -0.154 4.167 4.320 0.001 0.000 0.216 602 A C 2.219 179.516 177.584 -0.478 0.000 1.181 602 A CA 1.377 53.219 52.037 -0.324 0.000 0.620 602 A CB -0.588 18.279 19.000 -0.221 0.000 0.819 602 A HN 0.332 nan 8.150 nan 0.000 0.442 603 I N -0.430 119.958 120.570 -0.304 0.000 2.127 603 I HA -0.304 3.867 4.170 0.001 0.000 0.241 603 I C 2.553 178.515 176.117 -0.258 0.000 1.075 603 I CA 1.986 63.134 61.300 -0.253 0.000 1.334 603 I CB -0.254 37.637 38.000 -0.182 0.000 1.040 603 I HN 0.350 nan 8.210 nan 0.000 0.405 604 K N 0.422 120.665 120.400 -0.261 0.000 2.063 604 K HA -0.234 4.087 4.320 0.001 0.000 0.208 604 K C 2.373 178.870 176.600 -0.172 0.000 1.048 604 K CA 1.849 58.004 56.287 -0.220 0.000 0.928 604 K CB -0.148 32.188 32.500 -0.273 0.000 0.713 604 K HN 0.164 nan 8.250 nan 0.000 0.442 605 S N -0.007 115.568 115.700 -0.208 0.000 2.370 605 S HA -0.169 4.302 4.470 0.001 0.000 0.226 605 S C 2.024 176.485 174.600 -0.232 0.000 1.033 605 S CA 1.484 59.589 58.200 -0.160 0.000 1.011 605 S CB -0.414 62.731 63.200 -0.092 0.000 0.852 605 S HN 0.556 nan 8.310 nan 0.000 0.457 606 C N 1.414 120.491 119.300 -0.373 0.000 2.432 606 C HA 0.052 4.513 4.460 0.001 0.000 0.280 606 C C 2.478 177.367 174.990 -0.168 0.000 1.353 606 C CA 0.520 59.342 59.018 -0.326 0.000 1.766 606 C CB -1.412 26.100 27.740 -0.381 0.000 1.924 606 C HN 0.677 nan 8.230 nan 0.000 0.509 607 E N -0.563 119.567 120.200 -0.116 0.000 2.072 607 E HA -0.224 4.127 4.350 0.001 0.000 0.191 607 E C 1.804 178.406 176.600 0.003 0.000 0.985 607 E CA 1.284 57.653 56.400 -0.052 0.000 0.801 607 E CB -0.273 29.395 29.700 -0.053 0.000 0.750 607 E HN 0.823 nan 8.360 nan 0.000 0.452 608 Y N 1.545 121.796 120.300 -0.081 0.000 2.114 608 Y HA -0.247 4.304 4.550 0.001 0.000 0.284 608 Y C 2.038 177.954 175.900 0.026 0.000 1.143 608 Y CA 1.624 59.717 58.100 -0.012 0.000 1.135 608 Y CB -0.167 38.315 38.460 0.036 0.000 0.980 608 Y HN -0.066 nan 8.280 nan 0.000 0.499 609 I N 0.409 121.008 120.570 0.048 0.000 2.185 609 I HA -0.418 3.753 4.170 0.001 0.000 0.246 609 I C 2.297 178.460 176.117 0.076 0.000 1.088 609 I CA 1.989 63.313 61.300 0.039 0.000 1.347 609 I CB -0.496 37.342 38.000 -0.270 0.000 1.041 609 I HN 0.257 nan 8.210 nan 0.000 0.415 610 K N 0.312 120.715 120.400 0.006 0.000 2.155 610 K HA -0.134 4.187 4.320 0.001 0.000 0.203 610 K C 2.008 178.650 176.600 0.069 0.000 1.052 610 K CA 0.972 57.332 56.287 0.122 0.000 0.948 610 K CB -0.001 32.546 32.500 0.078 0.000 0.728 610 K HN 0.490 nan 8.250 nan 0.000 0.448 611 Q N -0.238 119.526 119.800 -0.060 0.000 2.432 611 Q HA 0.045 4.386 4.340 0.001 0.000 0.205 611 Q C 0.784 176.655 176.000 -0.215 0.000 0.945 611 Q CA 0.580 56.312 55.803 -0.118 0.000 0.924 611 Q CB 0.266 28.926 28.738 -0.130 0.000 1.016 611 Q HN 0.304 nan 8.270 nan 0.000 0.503 612 N N -0.502 118.015 118.700 -0.305 0.000 2.171 612 N HA 0.189 4.929 4.740 0.001 0.000 0.212 612 N C -0.949 174.178 175.510 -0.638 0.000 1.184 612 N CA 0.181 52.906 53.050 -0.543 0.000 0.888 612 N CB 0.885 38.828 38.487 -0.907 0.000 1.038 612 N HN 0.025 nan 8.380 nan 0.000 0.517 613 F N 0.345 120.304 119.950 0.015 0.000 2.569 613 F HA 0.311 4.839 4.527 0.002 0.000 0.312 613 F C 0.005 175.934 175.800 0.214 0.000 1.109 613 F CA -0.635 57.437 58.000 0.120 0.000 0.919 613 F CB 1.953 41.035 39.000 0.136 0.000 1.211 613 F HN -0.379 nan 8.300 nan 0.000 0.446 614 T N 4.060 118.799 114.554 0.308 0.000 2.749 614 T HA 0.399 4.750 4.350 0.001 0.000 0.287 614 T C -2.552 172.182 174.700 0.056 0.000 0.970 614 T CA -1.428 60.742 62.100 0.117 0.000 0.980 614 T CB 1.100 69.998 68.868 0.051 0.000 0.924 614 T HN 0.127 nan 8.240 nan 0.000 0.456 615 P HA 0.077 nan 4.420 nan 0.000 0.264 615 P C 0.089 177.346 177.300 -0.072 0.000 1.183 615 P CA -0.218 62.700 63.100 -0.302 0.000 0.763 615 P CB 0.279 31.635 31.700 -0.574 0.000 0.807 616 S N 4.325 120.030 115.700 0.007 0.000 2.569 616 S HA 0.209 4.679 4.470 0.001 0.000 0.274 616 S C -1.987 172.620 174.600 0.010 0.000 1.353 616 S CA -0.895 57.315 58.200 0.017 0.000 1.023 616 S CB -0.744 62.473 63.200 0.027 0.000 0.876 616 S HN 0.338 nan 8.310 nan 0.000 0.540 617 P HA 0.245 nan 4.420 nan 0.000 0.284 617 P C -0.854 176.487 177.300 0.068 0.000 1.253 617 P CA -0.679 62.446 63.100 0.041 0.000 0.800 617 P CB 0.285 32.000 31.700 0.025 0.000 0.961 618 F N 3.025 122.961 119.950 -0.023 0.000 2.516 618 F HA 0.189 4.716 4.527 0.001 0.000 0.351 618 F C 0.695 176.489 175.800 -0.011 0.000 1.208 618 F CA 0.844 58.836 58.000 -0.013 0.000 1.073 618 F CB -0.135 38.858 39.000 -0.012 0.000 1.203 618 F HN 0.278 nan 8.300 nan 0.000 0.602 619 T N 0.000 114.344 114.554 -0.350 0.000 3.816 619 T HA 0.000 4.351 4.350 0.001 0.000 0.228 619 T CA 0.000 61.930 62.100 -0.283 0.000 1.349 619 T CB 0.000 68.794 68.868 -0.124 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658