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 3k4j_1_A 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 HTQIQRDAFS YGAVQQSIDS RLIVDWRFFG RTEPKEENKL WFSDKITDAY DATA SEQUENCE NMPQPTFDFR FPAGRTSKEA EDMMTDMCVM SAKIGGFLPG SLPQFMEPGL DATA SEQUENCE VLHLGGTHRM GFDEKEDNCC VNTDSRVFGF KNLFLGGCGN IPTAYGANPT DATA SEQUENCE LTAMSLAIKS CEYIKQNFTP SPF 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 0.000 176.320 176.600 -0.467 0.000 0.988 46 K CA 0.000 56.163 56.287 -0.207 0.000 0.838 46 K CB 0.000 32.412 32.500 -0.147 0.000 1.064 47 Y N 1.469 121.747 120.300 -0.036 0.000 2.602 47 Y HA 0.317 4.867 4.550 0.000 0.000 0.342 47 Y C 0.860 176.730 175.900 -0.049 0.000 1.029 47 Y CA -0.726 57.347 58.100 -0.045 0.000 1.080 47 Y CB 1.792 40.220 38.460 -0.052 0.000 1.284 47 Y HN 0.593 nan 8.280 nan 0.000 0.485 48 D N 0.177 120.663 120.400 0.143 0.000 2.097 48 D HA -0.013 4.627 4.640 0.001 0.000 0.197 48 D C -0.277 176.014 176.300 -0.015 0.000 0.984 48 D CA 1.600 55.671 54.000 0.118 0.000 0.826 48 D CB 0.154 41.118 40.800 0.274 0.000 0.973 48 D HN 0.115 nan 8.370 nan 0.000 0.460 49 V N 0.714 120.606 119.914 -0.038 0.000 2.760 49 V HA 0.388 4.508 4.120 0.001 0.000 0.309 49 V C -0.388 175.601 176.094 -0.174 0.000 1.077 49 V CA -1.084 61.100 62.300 -0.193 0.000 0.910 49 V CB 2.564 34.238 31.823 -0.249 0.000 1.008 49 V HN -0.010 nan 8.190 nan 0.000 0.424 50 V N 2.505 122.274 119.914 -0.242 0.000 2.495 50 V HA 0.744 4.865 4.120 0.001 0.000 0.298 50 V C -0.632 175.396 176.094 -0.110 0.000 1.031 50 V CA -0.606 61.603 62.300 -0.151 0.000 0.871 50 V CB 1.628 33.432 31.823 -0.032 0.000 0.988 50 V HN 0.692 nan 8.190 nan 0.000 0.432 51 I N 4.404 124.928 120.570 -0.077 0.000 2.378 51 I HA 0.499 4.669 4.170 0.001 0.000 0.291 51 I C -0.509 175.625 176.117 0.029 0.000 0.992 51 I CA -0.916 60.334 61.300 -0.082 0.000 1.154 51 I CB 2.158 40.099 38.000 -0.098 0.000 1.315 51 I HN 0.431 nan 8.210 nan 0.000 0.448 52 V N 5.558 125.478 119.914 0.011 0.000 2.333 52 V HA 0.786 4.906 4.120 0.001 0.000 0.274 52 V C 0.428 176.529 176.094 0.010 0.000 1.028 52 V CA -0.315 62.018 62.300 0.055 0.000 0.851 52 V CB 0.577 32.406 31.823 0.010 0.000 1.000 52 V HN 1.065 nan 8.190 nan 0.000 0.456 53 G N 3.881 112.702 108.800 0.036 0.000 3.069 53 G HA2 -0.022 3.939 3.960 0.001 0.000 0.686 53 G HA3 -0.022 3.939 3.960 0.001 0.000 0.686 53 G C -0.054 174.861 174.900 0.026 0.000 1.161 53 G CA -0.252 44.860 45.100 0.020 0.000 0.804 53 G HN 1.245 nan 8.290 nan 0.000 0.608 54 S N 1.153 116.872 115.700 0.032 0.000 2.588 54 S HA 0.602 5.072 4.470 0.001 0.000 0.245 54 S C 1.310 175.922 174.600 0.020 0.000 1.021 54 S CA 0.675 58.902 58.200 0.044 0.000 1.006 54 S CB 0.638 63.875 63.200 0.062 0.000 0.830 54 S HN 1.913 nan 8.310 nan 0.000 0.468 55 G N 2.727 111.528 108.800 0.002 0.000 2.631 55 G HA2 0.373 4.333 3.960 0.001 0.000 0.271 55 G HA3 0.373 4.333 3.960 0.001 0.000 0.271 55 G C -1.135 173.744 174.900 -0.035 0.000 1.302 55 G CA -1.274 43.808 45.100 -0.030 0.000 1.002 55 G HN 0.254 nan 8.290 nan 0.000 0.519 56 P HA -0.057 nan 4.420 nan 0.000 0.222 56 P C 1.610 178.862 177.300 -0.079 0.000 1.147 56 P CA 0.681 63.736 63.100 -0.076 0.000 0.790 56 P CB 0.202 31.869 31.700 -0.057 0.000 0.780 57 I N -0.072 120.482 120.570 -0.026 0.000 2.400 57 I HA 0.003 4.173 4.170 0.001 0.000 0.248 57 I C 2.676 178.863 176.117 0.116 0.000 1.109 57 I CA 1.352 62.670 61.300 0.030 0.000 1.425 57 I CB -2.211 35.831 38.000 0.070 0.000 1.094 57 I HN -0.007 nan 8.210 nan 0.000 0.425 58 G N 0.462 109.305 108.800 0.071 0.000 2.440 58 G HA2 -0.240 3.721 3.960 0.001 0.000 0.218 58 G HA3 -0.240 3.721 3.960 0.001 0.000 0.218 58 G C 1.743 176.652 174.900 0.016 0.000 1.154 58 G CA 1.041 46.174 45.100 0.055 0.000 0.767 58 G HN 0.409 nan 8.290 nan 0.000 0.552 59 C N 0.656 119.943 119.300 -0.021 0.000 2.432 59 C HA 0.030 4.490 4.460 0.001 0.000 0.282 59 C C 3.161 178.042 174.990 -0.182 0.000 1.388 59 C CA 1.343 60.315 59.018 -0.077 0.000 1.777 59 C CB -1.009 26.727 27.740 -0.008 0.000 1.882 59 C HN 0.444 nan 8.230 nan 0.000 0.520 60 T N -0.013 114.453 114.554 -0.146 0.000 2.737 60 T HA -0.130 4.220 4.350 0.001 0.000 0.265 60 T C 1.474 176.028 174.700 -0.243 0.000 1.038 60 T CA 1.510 63.487 62.100 -0.205 0.000 1.144 60 T CB -0.410 68.355 68.868 -0.172 0.000 0.866 60 T HN 0.549 nan 8.240 nan 0.000 0.434 61 Y N 1.644 121.811 120.300 -0.221 0.000 2.128 61 Y HA -0.114 4.436 4.550 0.001 0.000 0.284 61 Y C 2.785 178.472 175.900 -0.354 0.000 1.154 61 Y CA 1.027 58.976 58.100 -0.252 0.000 1.149 61 Y CB -0.710 37.620 38.460 -0.216 0.000 0.976 61 Y HN 0.198 nan 8.280 nan 0.000 0.505 62 A N 0.213 122.851 122.820 -0.303 0.000 1.877 62 A HA -0.253 4.067 4.320 0.001 0.000 0.216 62 A C 2.287 179.258 177.584 -1.021 0.000 1.186 62 A CA 1.907 53.506 52.037 -0.731 0.000 0.620 62 A CB -0.826 17.527 19.000 -1.079 0.000 0.822 62 A HN 0.440 nan 8.150 nan 0.000 0.443 63 R N -0.347 119.619 120.500 -0.889 0.000 2.094 63 R HA -0.190 4.150 4.340 0.001 0.000 0.239 63 R C 2.071 178.142 176.300 -0.381 0.000 1.137 63 R CA 1.930 57.657 56.100 -0.621 0.000 0.943 63 R CB -0.296 29.690 30.300 -0.522 0.000 0.850 63 R HN 0.618 nan 8.270 nan 0.000 0.433 64 E N 0.240 120.262 120.200 -0.297 0.000 2.072 64 E HA -0.167 4.183 4.350 0.001 0.000 0.191 64 E C 2.132 178.671 176.600 -0.101 0.000 0.985 64 E CA 1.236 57.545 56.400 -0.152 0.000 0.801 64 E CB -0.021 29.591 29.700 -0.147 0.000 0.750 64 E HN 0.438 nan 8.360 nan 0.000 0.452 65 L N 0.260 121.397 121.223 -0.144 0.000 2.202 65 L HA -0.043 4.297 4.340 0.001 0.000 0.205 65 L C 2.526 179.450 176.870 0.089 0.000 1.083 65 L CA 0.215 55.040 54.840 -0.024 0.000 0.790 65 L CB -0.281 41.654 42.059 -0.207 0.000 0.942 65 L HN -0.059 nan 8.230 nan 0.000 0.452 66 V N 0.778 120.633 119.914 -0.098 0.000 2.287 66 V HA -0.231 3.889 4.120 0.001 0.000 0.248 66 V C 2.669 178.780 176.094 0.028 0.000 1.053 66 V CA 2.186 64.466 62.300 -0.034 0.000 1.027 66 V CB -1.317 30.393 31.823 -0.188 0.000 0.646 66 V HN 0.567 nan 8.190 nan 0.000 0.447 67 G N -0.450 108.338 108.800 -0.020 0.000 2.422 67 G HA2 -0.185 3.776 3.960 0.001 0.000 0.218 67 G HA3 -0.185 3.776 3.960 0.001 0.000 0.218 67 G C 1.585 176.509 174.900 0.039 0.000 1.146 67 G CA 0.875 45.986 45.100 0.017 0.000 0.769 67 G HN 0.646 nan 8.290 nan 0.000 0.547 68 A N -0.370 122.492 122.820 0.070 0.000 2.209 68 A HA 0.437 4.757 4.320 0.001 0.000 0.212 68 A C 2.011 179.581 177.584 -0.023 0.000 1.158 68 A CA 1.410 53.490 52.037 0.072 0.000 0.742 68 A CB -0.469 18.648 19.000 0.195 0.000 0.790 68 A HN 1.641 nan 8.150 nan 0.000 0.472 69 G N -2.674 106.134 108.800 0.013 0.000 2.144 69 G HA2 -0.253 3.707 3.960 0.001 0.000 0.218 69 G HA3 -0.253 3.707 3.960 0.001 0.000 0.218 69 G C -0.047 174.782 174.900 -0.118 0.000 0.988 69 G CA 0.056 45.133 45.100 -0.038 0.000 0.659 69 G HN 0.414 nan 8.290 nan 0.000 0.522 70 Y N 0.399 120.712 120.300 0.023 0.000 2.379 70 Y HA 0.418 4.968 4.550 0.000 0.000 0.337 70 Y C 1.139 177.051 175.900 0.021 0.000 1.238 70 Y CA 0.194 58.303 58.100 0.015 0.000 1.405 70 Y CB 0.726 39.182 38.460 -0.006 0.000 1.310 70 Y HN 0.069 nan 8.280 nan 0.000 0.569 71 K N 2.861 123.372 120.400 0.184 0.000 2.273 71 K HA 0.417 4.737 4.320 0.001 0.000 0.287 71 K C -1.626 175.100 176.600 0.210 0.000 1.089 71 K CA -0.168 56.200 56.287 0.136 0.000 0.909 71 K CB 0.058 32.584 32.500 0.043 0.000 1.123 71 K HN 0.491 nan 8.250 nan 0.000 0.473 72 V N 3.179 123.191 119.914 0.164 0.000 2.513 72 V HA 0.588 4.709 4.120 0.001 0.000 0.299 72 V C -0.238 175.742 176.094 -0.190 0.000 1.035 72 V CA -0.931 61.399 62.300 0.050 0.000 0.889 72 V CB 1.434 33.343 31.823 0.143 0.000 0.988 72 V HN 0.878 nan 8.190 nan 0.000 0.440 73 A N 5.569 128.092 122.820 -0.496 0.000 2.355 73 A HA 0.958 5.279 4.320 0.001 0.000 0.324 73 A C -0.662 176.549 177.584 -0.622 0.000 1.117 73 A CA -0.650 50.869 52.037 -0.863 0.000 0.785 73 A CB 1.641 19.771 19.000 -1.449 0.000 1.254 73 A HN 0.914 nan 8.150 nan 0.000 0.453 74 M N 2.058 121.211 119.600 -0.744 0.000 2.327 74 M HA 0.729 5.209 4.480 0.001 0.000 0.298 74 M C -2.215 173.742 176.300 -0.572 0.000 1.065 74 M CA -0.396 54.655 55.300 -0.415 0.000 0.916 74 M CB 1.269 33.839 32.600 -0.050 0.000 1.630 74 M HN 0.597 nan 8.290 nan 0.000 0.442 75 F N 2.218 122.167 119.950 -0.002 0.000 2.508 75 F HA 0.591 5.118 4.527 0.000 0.000 0.325 75 F C -0.204 175.597 175.800 0.001 0.000 1.090 75 F CA -0.538 57.479 58.000 0.028 0.000 0.945 75 F CB 1.553 40.550 39.000 -0.004 0.000 1.156 75 F HN 0.451 nan 8.300 nan 0.000 0.463 76 D N 2.686 123.189 120.400 0.172 0.000 2.879 76 D HA 0.232 4.873 4.640 0.001 0.000 0.236 76 D C 0.543 176.868 176.300 0.042 0.000 1.171 76 D CA -0.334 53.710 54.000 0.074 0.000 0.868 76 D CB 2.496 43.322 40.800 0.045 0.000 1.598 76 D HN 0.647 nan 8.370 nan 0.000 0.497 77 I N 1.931 122.474 120.570 -0.045 0.000 2.493 77 I HA -0.006 4.164 4.170 0.001 0.000 0.254 77 I C 1.137 177.208 176.117 -0.077 0.000 1.160 77 I CA 0.842 62.064 61.300 -0.130 0.000 1.445 77 I CB 0.156 37.951 38.000 -0.342 0.000 1.086 77 I HN 0.331 nan 8.210 nan 0.000 0.433 78 G N -0.006 108.771 108.800 -0.037 0.000 2.535 78 G HA2 0.381 4.342 3.960 0.001 0.000 0.303 78 G HA3 0.381 4.342 3.960 0.001 0.000 0.303 78 G C -0.819 174.100 174.900 0.030 0.000 1.237 78 G CA -0.431 44.673 45.100 0.007 0.000 0.986 78 G HN 0.297 nan 8.290 nan 0.000 0.494 79 E N -1.327 118.898 120.200 0.041 0.000 2.299 79 E HA 0.366 4.716 4.350 0.001 0.000 0.260 79 E C -0.497 176.128 176.600 0.041 0.000 0.944 79 E CA -0.763 55.662 56.400 0.043 0.000 0.815 79 E CB 2.485 32.213 29.700 0.047 0.000 1.252 79 E HN 0.261 nan 8.360 nan 0.000 0.418 80 I N 2.638 123.231 120.570 0.038 0.000 2.436 80 I HA 0.019 4.190 4.170 0.001 0.000 0.289 80 I C -0.238 175.907 176.117 0.047 0.000 1.083 80 I CA 0.500 61.823 61.300 0.038 0.000 1.372 80 I CB 0.047 38.064 38.000 0.028 0.000 1.408 80 I HN 0.498 nan 8.210 nan 0.000 0.516 81 D N 2.938 123.372 120.400 0.056 0.000 3.216 81 D HA 0.059 4.699 4.640 0.001 0.000 0.348 81 D C -0.064 176.287 176.300 0.086 0.000 1.407 81 D CA -0.297 53.742 54.000 0.066 0.000 0.744 81 D CB 0.284 41.122 40.800 0.063 0.000 1.264 81 D HN 0.214 nan 8.370 nan 0.000 0.543 82 S N -0.514 115.240 115.700 0.089 0.000 3.009 82 S HA 0.617 5.088 4.470 0.001 0.000 0.254 82 S C 0.581 175.252 174.600 0.118 0.000 1.004 82 S CA 0.158 58.428 58.200 0.116 0.000 1.119 82 S CB 0.571 63.835 63.200 0.106 0.000 1.075 82 S HN 0.928 nan 8.310 nan 0.000 0.618 83 G N 0.988 109.846 108.800 0.097 0.000 2.631 83 G HA2 -0.161 3.800 3.960 0.001 0.000 0.504 83 G HA3 -0.161 3.800 3.960 0.001 0.000 0.504 83 G C 0.134 175.069 174.900 0.059 0.000 1.306 83 G CA -0.429 44.721 45.100 0.083 0.000 0.897 83 G HN 0.236 nan 8.290 nan 0.000 0.520 84 L N -0.096 121.155 121.223 0.046 0.000 2.313 84 L HA 0.118 4.458 4.340 0.001 0.000 0.214 84 L C 1.541 178.422 176.870 0.019 0.000 1.119 84 L CA 0.833 55.689 54.840 0.027 0.000 0.809 84 L CB -0.329 41.742 42.059 0.019 0.000 0.933 84 L HN 0.352 nan 8.230 nan 0.000 0.449 85 K N 2.014 122.433 120.400 0.033 0.000 2.228 85 K HA 0.268 4.589 4.320 0.001 0.000 0.284 85 K C -0.199 176.420 176.600 0.032 0.000 1.088 85 K CA -0.103 56.200 56.287 0.026 0.000 0.941 85 K CB 0.427 32.955 32.500 0.046 0.000 1.158 85 K HN 0.122 nan 8.250 nan 0.000 0.438 86 I N 1.949 122.522 120.570 0.006 0.000 2.618 86 I HA -0.080 4.090 4.170 0.001 0.000 0.284 86 I C 1.408 177.539 176.117 0.024 0.000 1.146 86 I CA 0.741 62.049 61.300 0.013 0.000 1.425 86 I CB 0.383 38.381 38.000 -0.004 0.000 1.383 86 I HN 0.952 nan 8.210 nan 0.000 0.562 87 G N 4.260 113.087 108.800 0.044 0.000 2.155 87 G HA2 -0.230 3.730 3.960 0.001 0.000 0.257 87 G HA3 -0.230 3.730 3.960 0.001 0.000 0.257 87 G C 0.374 175.320 174.900 0.078 0.000 0.983 87 G CA 0.106 45.236 45.100 0.050 0.000 0.676 87 G HN 0.976 nan 8.290 nan 0.000 0.528 88 A N -0.323 122.559 122.820 0.103 0.000 2.296 88 A HA 0.586 4.906 4.320 0.001 0.000 0.264 88 A C 0.615 178.324 177.584 0.209 0.000 1.097 88 A CA -0.214 51.922 52.037 0.164 0.000 0.811 88 A CB 0.220 19.316 19.000 0.160 0.000 1.072 88 A HN 0.615 nan 8.150 nan 0.000 0.495 89 H N 0.559 119.764 119.070 0.225 0.000 2.929 89 H HA 0.093 4.649 4.556 0.001 0.000 0.317 89 H C 0.779 176.240 175.328 0.223 0.000 1.031 89 H CA 0.675 56.872 56.048 0.249 0.000 1.466 89 H CB 0.794 30.724 29.762 0.281 0.000 1.482 89 H HN 0.675 nan 8.280 nan 0.000 0.561 90 K N 3.560 124.158 120.400 0.329 0.000 2.362 90 K HA -0.117 4.204 4.320 0.001 0.000 0.200 90 K C 1.641 178.494 176.600 0.423 0.000 1.046 90 K CA 0.707 57.238 56.287 0.406 0.000 0.952 90 K CB 0.336 33.081 32.500 0.408 0.000 0.753 90 K HN 0.418 nan 8.250 nan 0.000 0.466 91 K N 1.075 121.614 120.400 0.232 0.000 2.486 91 K HA -0.001 4.320 4.320 0.001 0.000 0.194 91 K C 0.366 177.010 176.600 0.073 0.000 1.033 91 K CA 0.325 56.413 56.287 -0.331 0.000 1.004 91 K CB 0.238 32.093 32.500 -1.076 0.000 0.798 91 K HN -0.018 nan 8.250 nan 0.000 0.495 92 N N 1.867 120.720 118.700 0.256 0.000 2.509 92 N HA -0.029 4.712 4.740 0.001 0.000 0.239 92 N C -0.717 175.075 175.510 0.470 0.000 1.215 92 N CA 0.345 53.595 53.050 0.334 0.000 0.882 92 N CB 0.408 39.110 38.487 0.357 0.000 1.189 92 N HN 0.268 nan 8.380 nan 0.000 0.490 93 T N -4.546 110.272 114.554 0.440 0.000 2.925 93 T HA 0.342 4.692 4.350 0.001 0.000 0.285 93 T C 1.476 176.434 174.700 0.429 0.000 1.021 93 T CA -0.790 61.538 62.100 0.381 0.000 1.042 93 T CB 1.659 70.692 68.868 0.276 0.000 1.037 93 T HN -0.186 nan 8.240 nan 0.000 0.481 94 V N 1.256 121.347 119.914 0.296 0.000 2.407 94 V HA -0.100 4.020 4.120 0.001 0.000 0.248 94 V C 2.795 178.996 176.094 0.178 0.000 1.055 94 V CA 2.388 64.841 62.300 0.254 0.000 1.049 94 V CB -0.916 30.952 31.823 0.075 0.000 0.662 94 V HN 1.051 nan 8.190 nan 0.000 0.455 95 E N -0.398 119.850 120.200 0.081 0.000 2.072 95 E HA -0.203 4.148 4.350 0.001 0.000 0.191 95 E C 2.015 178.595 176.600 -0.033 0.000 0.985 95 E CA 1.555 57.939 56.400 -0.027 0.000 0.801 95 E CB -0.376 29.241 29.700 -0.139 0.000 0.750 95 E HN 0.639 nan 8.360 nan 0.000 0.452 96 Y N 1.061 121.455 120.300 0.157 0.000 2.224 96 Y HA -0.093 4.457 4.550 0.001 0.000 0.289 96 Y C 2.189 178.153 175.900 0.106 0.000 1.146 96 Y CA 1.592 59.780 58.100 0.148 0.000 1.182 96 Y CB -0.266 38.293 38.460 0.166 0.000 0.983 96 Y HN 0.193 nan 8.280 nan 0.000 0.524 97 Q N -0.229 119.716 119.800 0.243 0.000 2.435 97 Q HA -0.101 4.240 4.340 0.001 0.000 0.207 97 Q C 1.438 177.527 176.000 0.149 0.000 0.956 97 Q CA 0.791 56.689 55.803 0.158 0.000 0.917 97 Q CB -0.048 28.739 28.738 0.082 0.000 0.997 97 Q HN 0.474 nan 8.270 nan 0.000 0.497 98 K N 0.188 120.674 120.400 0.143 0.000 2.393 98 K HA 0.100 4.420 4.320 0.001 0.000 0.193 98 K C 0.264 176.925 176.600 0.103 0.000 1.026 98 K CA 0.196 56.545 56.287 0.104 0.000 1.064 98 K CB 0.588 33.133 32.500 0.076 0.000 0.833 98 K HN 0.051 nan 8.250 nan 0.000 0.521 99 N N 1.007 119.791 118.700 0.141 0.000 2.687 99 N HA 0.058 4.799 4.740 0.001 0.000 0.275 99 N C -0.055 175.597 175.510 0.238 0.000 1.789 99 N CA 0.038 53.182 53.050 0.157 0.000 0.806 99 N CB 1.039 39.599 38.487 0.122 0.000 1.256 99 N HN -0.020 nan 8.380 nan 0.000 0.500 100 I N 1.011 121.706 120.570 0.208 0.000 2.493 100 I HA -0.150 4.021 4.170 0.001 0.000 0.254 100 I C 1.425 177.680 176.117 0.231 0.000 1.160 100 I CA 1.549 62.979 61.300 0.217 0.000 1.445 100 I CB 0.167 38.258 38.000 0.152 0.000 1.086 100 I HN 0.150 nan 8.210 nan 0.000 0.433 101 D N 0.333 120.863 120.400 0.216 0.000 2.312 101 D HA -0.110 4.530 4.640 0.001 0.000 0.211 101 D C 1.948 178.348 176.300 0.167 0.000 0.964 101 D CA 0.458 54.574 54.000 0.193 0.000 0.877 101 D CB -0.057 40.879 40.800 0.226 0.000 0.924 101 D HN 0.287 nan 8.370 nan 0.000 0.515 102 K N 0.231 120.766 120.400 0.227 0.000 2.209 102 K HA -0.116 4.205 4.320 0.001 0.000 0.204 102 K C 1.796 178.517 176.600 0.201 0.000 1.048 102 K CA 0.175 56.610 56.287 0.247 0.000 0.940 102 K CB -0.474 32.241 32.500 0.358 0.000 0.729 102 K HN 0.223 nan 8.250 nan 0.000 0.451 103 F N 1.197 121.153 119.950 0.010 0.000 2.365 103 F HA -0.146 4.382 4.527 0.000 0.000 0.300 103 F C 2.109 177.812 175.800 -0.163 0.000 1.090 103 F CA 0.446 58.308 58.000 -0.231 0.000 1.408 103 F CB -0.171 38.674 39.000 -0.258 0.000 1.060 103 F HN -0.235 nan 8.300 nan 0.000 0.534 104 V N 0.566 120.418 119.914 -0.103 0.000 2.469 104 V HA -0.355 3.765 4.120 0.001 0.000 0.251 104 V C 1.740 177.659 176.094 -0.291 0.000 1.064 104 V CA 2.714 64.891 62.300 -0.206 0.000 1.066 104 V CB -0.615 31.103 31.823 -0.176 0.000 0.667 104 V HN 0.444 nan 8.190 nan 0.000 0.461 105 N N -0.651 117.909 118.700 -0.234 0.000 2.188 105 N HA -0.113 4.627 4.740 0.001 0.000 0.184 105 N C 1.656 177.002 175.510 -0.272 0.000 1.018 105 N CA 1.432 54.365 53.050 -0.196 0.000 0.858 105 N CB -0.181 38.252 38.487 -0.089 0.000 0.989 105 N HN 0.403 nan 8.380 nan 0.000 0.426 106 V N 1.247 120.896 119.914 -0.442 0.000 2.343 106 V HA -0.210 3.911 4.120 0.001 0.000 0.247 106 V C 2.016 177.777 176.094 -0.554 0.000 1.051 106 V CA 1.414 63.387 62.300 -0.544 0.000 1.036 106 V CB -0.505 30.760 31.823 -0.930 0.000 0.654 106 V HN 0.299 nan 8.190 nan 0.000 0.451 107 I N -0.283 119.866 120.570 -0.703 0.000 2.142 107 I HA -0.317 3.854 4.170 0.001 0.000 0.240 107 I C 2.753 178.613 176.117 -0.429 0.000 1.078 107 I CA 1.756 62.677 61.300 -0.632 0.000 1.343 107 I CB -0.491 37.177 38.000 -0.553 0.000 1.046 107 I HN 0.345 nan 8.210 nan 0.000 0.405 108 Q N 0.506 120.113 119.800 -0.322 0.000 2.096 108 Q HA -0.184 4.157 4.340 0.001 0.000 0.204 108 Q C 2.352 178.252 176.000 -0.166 0.000 0.982 108 Q CA 1.650 57.321 55.803 -0.219 0.000 0.850 108 Q CB -0.592 28.033 28.738 -0.188 0.000 0.901 108 Q HN 0.675 nan 8.270 nan 0.000 0.422 109 G N 1.543 110.244 108.800 -0.164 0.000 2.499 109 G HA2 -0.274 3.686 3.960 0.001 0.000 0.221 109 G HA3 -0.274 3.686 3.960 0.001 0.000 0.221 109 G C 1.078 175.932 174.900 -0.078 0.000 1.109 109 G CA 1.084 46.120 45.100 -0.106 0.000 0.749 109 G HN 0.528 nan 8.290 nan 0.000 0.568 110 Q N -0.683 119.056 119.800 -0.102 0.000 2.141 110 Q HA 0.434 4.774 4.340 0.001 0.000 0.248 110 Q C -0.325 175.668 176.000 -0.013 0.000 0.834 110 Q CA -0.298 55.486 55.803 -0.031 0.000 1.096 110 Q CB 0.117 28.865 28.738 0.016 0.000 1.189 110 Q HN 0.272 nan 8.270 nan 0.000 0.471 111 L N 2.050 123.242 121.223 -0.052 0.000 2.301 111 L HA 0.493 4.833 4.340 0.001 0.000 0.278 111 L C -0.913 175.959 176.870 0.004 0.000 1.022 111 L CA -0.817 54.013 54.840 -0.017 0.000 0.854 111 L CB 1.040 43.060 42.059 -0.066 0.000 1.226 111 L HN 0.211 nan 8.230 nan 0.000 0.429 112 M N 1.954 121.582 119.600 0.046 0.000 2.108 112 M HA 0.241 4.722 4.480 0.001 0.000 0.354 112 M C 0.373 176.711 176.300 0.063 0.000 1.229 112 M CA 0.009 55.342 55.300 0.055 0.000 1.081 112 M CB 1.300 33.953 32.600 0.088 0.000 1.606 112 M HN 0.299 nan 8.290 nan 0.000 0.467 113 S N 1.935 117.659 115.700 0.040 0.000 2.552 113 S HA 0.105 4.576 4.470 0.001 0.000 0.289 113 S C 1.516 176.153 174.600 0.062 0.000 1.304 113 S CA -0.631 57.593 58.200 0.040 0.000 1.063 113 S CB 0.590 63.801 63.200 0.017 0.000 0.848 113 S HN 0.581 nan 8.310 nan 0.000 0.499 114 V N 2.404 122.367 119.914 0.081 0.000 2.323 114 V HA 0.003 4.123 4.120 0.001 0.000 0.244 114 V C 1.187 177.291 176.094 0.017 0.000 1.041 114 V CA 1.401 63.744 62.300 0.072 0.000 1.025 114 V CB 0.016 31.916 31.823 0.128 0.000 0.656 114 V HN 0.789 nan 8.190 nan 0.000 0.451 115 S N -0.547 115.181 115.700 0.046 0.000 2.750 115 S HA 0.523 4.993 4.470 0.001 0.000 0.276 115 S C -1.115 173.493 174.600 0.013 0.000 1.165 115 S CA -0.443 57.752 58.200 -0.009 0.000 1.047 115 S CB 1.445 64.614 63.200 -0.051 0.000 1.056 115 S HN 0.003 nan 8.310 nan 0.000 0.481 116 V N 7.867 127.775 119.914 -0.010 0.000 2.370 116 V HA 0.564 4.684 4.120 0.001 0.000 0.283 116 V C -1.888 174.193 176.094 -0.022 0.000 1.023 116 V CA -1.775 60.517 62.300 -0.013 0.000 0.857 116 V CB 1.519 33.334 31.823 -0.015 0.000 0.985 116 V HN 0.696 nan 8.190 nan 0.000 0.443 117 P HA 0.171 nan 4.420 nan 0.000 0.274 117 P C -0.298 176.981 177.300 -0.034 0.000 1.256 117 P CA -0.185 62.900 63.100 -0.025 0.000 0.795 117 P CB 0.901 32.588 31.700 -0.022 0.000 1.038 118 V N 2.165 122.061 119.914 -0.030 0.000 2.521 118 V HA 0.014 4.134 4.120 0.001 0.000 0.286 118 V C 1.219 177.269 176.094 -0.073 0.000 1.034 118 V CA -0.032 62.244 62.300 -0.039 0.000 1.045 118 V CB -0.587 31.231 31.823 -0.008 0.000 0.974 118 V HN 0.602 nan 8.190 nan 0.000 0.480 119 N N 3.829 122.475 118.700 -0.090 0.000 2.520 119 N HA 0.094 4.834 4.740 0.001 0.000 0.273 119 N C 0.534 175.894 175.510 -0.251 0.000 1.155 119 N CA 0.419 53.392 53.050 -0.130 0.000 0.967 119 N CB 1.565 39.997 38.487 -0.092 0.000 1.092 119 N HN 0.845 nan 8.380 nan 0.000 0.457 120 T N 0.817 115.112 114.554 -0.432 0.000 3.339 120 T HA 0.263 4.613 4.350 0.001 0.000 0.292 120 T C 0.563 174.715 174.700 -0.914 0.000 1.012 120 T CA -0.463 60.991 62.100 -1.077 0.000 0.937 120 T CB -0.467 67.916 68.868 -0.808 0.000 1.164 120 T HN 0.262 nan 8.240 nan 0.000 0.509 121 L N 2.158 123.132 121.223 -0.416 0.000 2.410 121 L HA 0.395 4.735 4.340 0.001 0.000 0.273 121 L C -0.003 176.864 176.870 -0.005 0.000 1.152 121 L CA -0.352 54.381 54.840 -0.179 0.000 0.855 121 L CB 1.055 43.064 42.059 -0.084 0.000 1.129 121 L HN 0.136 nan 8.230 nan 0.000 0.463 122 V N 5.333 125.282 119.914 0.059 0.000 2.432 122 V HA 0.188 4.309 4.120 0.001 0.000 0.271 122 V C -0.052 176.107 176.094 0.108 0.000 1.046 122 V CA -0.505 61.906 62.300 0.185 0.000 0.945 122 V CB 1.358 33.276 31.823 0.158 0.000 0.992 122 V HN 0.389 nan 8.190 nan 0.000 0.471 123 V N 5.389 125.372 119.914 0.115 0.000 2.313 123 V HA 0.356 4.476 4.120 0.001 0.000 0.278 123 V C 0.195 176.319 176.094 0.050 0.000 1.017 123 V CA -0.439 61.901 62.300 0.067 0.000 0.823 123 V CB 1.328 33.190 31.823 0.064 0.000 1.010 123 V HN 1.055 nan 8.190 nan 0.000 0.443 124 D N 1.979 122.400 120.400 0.036 0.000 2.501 124 D HA -0.010 4.630 4.640 0.001 0.000 0.224 124 D C 1.223 177.531 176.300 0.013 0.000 1.202 124 D CA 0.298 54.309 54.000 0.019 0.000 0.829 124 D CB 0.399 41.209 40.800 0.018 0.000 1.023 124 D HN 0.541 nan 8.370 nan 0.000 0.499 125 T N -1.493 113.072 114.554 0.018 0.000 3.223 125 T HA 0.324 4.674 4.350 0.001 0.000 0.259 125 T C 0.719 175.429 174.700 0.017 0.000 1.015 125 T CA -0.548 61.561 62.100 0.015 0.000 0.908 125 T CB -0.415 68.462 68.868 0.015 0.000 1.054 125 T HN 0.036 nan 8.240 nan 0.000 0.567 126 L N 1.704 122.937 121.223 0.017 0.000 2.464 126 L HA 0.376 4.716 4.340 0.001 0.000 0.264 126 L C 1.105 177.984 176.870 0.014 0.000 1.199 126 L CA -0.734 54.119 54.840 0.021 0.000 0.818 126 L CB 0.553 42.627 42.059 0.025 0.000 1.102 126 L HN 0.210 nan 8.230 nan 0.000 0.473 127 S N 1.345 117.057 115.700 0.020 0.000 2.568 127 S HA 0.114 4.584 4.470 0.001 0.000 0.282 127 S C -1.501 173.105 174.600 0.011 0.000 1.338 127 S CA -0.982 57.228 58.200 0.016 0.000 1.045 127 S CB 0.813 64.026 63.200 0.022 0.000 0.873 127 S HN 0.398 nan 8.310 nan 0.000 0.516 128 P HA -0.059 nan 4.420 nan 0.000 0.221 128 P C 1.260 178.562 177.300 0.003 0.000 1.145 128 P CA 1.221 64.319 63.100 -0.004 0.000 0.795 128 P CB -0.124 31.573 31.700 -0.005 0.000 0.775 129 T N -5.761 108.804 114.554 0.018 0.000 3.088 129 T HA 0.102 4.452 4.350 0.001 0.000 0.259 129 T C 0.968 175.701 174.700 0.056 0.000 1.122 129 T CA 0.001 62.120 62.100 0.032 0.000 1.095 129 T CB -0.555 68.332 68.868 0.033 0.000 0.930 129 T HN -0.111 nan 8.240 nan 0.000 0.508 130 S N 1.661 117.395 115.700 0.056 0.000 2.549 130 S HA 0.273 4.743 4.470 0.001 0.000 0.279 130 S C -0.499 174.175 174.600 0.123 0.000 1.321 130 S CA -0.991 57.269 58.200 0.099 0.000 1.054 130 S CB 0.114 63.366 63.200 0.086 0.000 0.899 130 S HN 0.594 nan 8.310 nan 0.000 0.497 131 W N 3.110 124.416 121.300 0.010 0.000 2.181 131 W HA 0.201 4.861 4.660 0.001 0.000 0.335 131 W C -0.001 176.530 176.519 0.020 0.000 1.310 131 W CA 0.324 57.675 57.345 0.009 0.000 1.226 131 W CB 0.408 29.873 29.460 0.007 0.000 1.155 131 W HN 0.383 nan 8.180 nan 0.000 0.565 132 Q N 4.171 123.543 119.800 -0.713 0.000 2.284 132 Q HA 0.438 4.778 4.340 0.001 0.000 0.269 132 Q C -0.545 174.702 176.000 -1.255 0.000 1.026 132 Q CA -0.708 54.693 55.803 -0.670 0.000 0.831 132 Q CB 1.806 30.359 28.738 -0.308 0.000 1.322 132 Q HN 0.626 nan 8.270 nan 0.000 0.419 133 A N 1.142 123.425 122.820 -0.896 0.000 2.366 133 A HA 0.367 4.687 4.320 0.001 0.000 0.249 133 A C 0.745 178.130 177.584 -0.332 0.000 1.084 133 A CA -0.003 51.718 52.037 -0.527 0.000 0.794 133 A CB 0.396 19.493 19.000 0.161 0.000 1.034 133 A HN 0.698 nan 8.150 nan 0.000 0.491 134 S N -0.566 114.987 115.700 -0.244 0.000 2.593 134 S HA 0.156 4.626 4.470 0.001 0.000 0.217 134 S C 0.603 175.088 174.600 -0.191 0.000 0.966 134 S CA 0.739 58.815 58.200 -0.206 0.000 0.914 134 S CB -0.366 62.745 63.200 -0.147 0.000 0.776 134 S HN 1.119 nan 8.310 nan 0.000 0.523 135 T N -1.534 112.928 114.554 -0.153 0.000 2.843 135 T HA 0.614 4.964 4.350 0.001 0.000 0.302 135 T C -0.935 173.685 174.700 -0.134 0.000 1.232 135 T CA -0.763 61.259 62.100 -0.130 0.000 1.009 135 T CB 0.670 69.572 68.868 0.056 0.000 1.254 135 T HN -0.090 nan 8.240 nan 0.000 0.504 136 F N 3.234 123.244 119.950 0.100 0.000 2.567 136 F HA 0.402 4.929 4.527 0.000 0.000 0.352 136 F C 0.410 176.227 175.800 0.030 0.000 1.229 136 F CA -1.606 56.405 58.000 0.019 0.000 1.228 136 F CB -0.836 38.154 39.000 -0.015 0.000 1.568 136 F HN 0.565 nan 8.300 nan 0.000 0.634 137 F N -0.504 119.537 119.950 0.151 0.000 2.368 137 F HA 0.641 5.169 4.527 0.000 0.000 0.315 137 F C -0.111 175.757 175.800 0.113 0.000 1.145 137 F CA -1.749 56.321 58.000 0.116 0.000 1.095 137 F CB -0.121 38.938 39.000 0.099 0.000 1.286 137 F HN -0.153 nan 8.300 nan 0.000 0.530 138 V N 3.447 123.487 119.914 0.210 0.000 2.450 138 V HA 0.250 4.370 4.120 0.001 0.000 0.281 138 V C 0.279 176.400 176.094 0.045 0.000 1.019 138 V CA -0.165 62.186 62.300 0.086 0.000 1.062 138 V CB -1.042 30.856 31.823 0.125 0.000 0.979 138 V HN 0.930 nan 8.190 nan 0.000 0.477 139 R N 3.268 123.700 120.500 -0.112 0.000 2.781 139 R HA 0.490 4.831 4.340 0.001 0.000 0.269 139 R C -0.278 175.987 176.300 -0.058 0.000 1.025 139 R CA -0.978 55.063 56.100 -0.099 0.000 0.914 139 R CB 0.813 30.895 30.300 -0.363 0.000 1.236 139 R HN 0.380 nan 8.270 nan 0.000 0.465 140 N N -0.481 118.208 118.700 -0.018 0.000 2.721 140 N HA -0.187 4.553 4.740 0.001 0.000 0.249 140 N C 0.677 176.181 175.510 -0.010 0.000 1.072 140 N CA 1.827 54.870 53.050 -0.013 0.000 0.710 140 N CB -1.251 37.219 38.487 -0.028 0.000 0.993 140 N HN 1.124 nan 8.380 nan 0.000 0.547 141 G N -1.722 107.077 108.800 -0.000 0.000 2.143 141 G HA2 -0.325 3.635 3.960 0.001 0.000 0.248 141 G HA3 -0.325 3.635 3.960 0.001 0.000 0.248 141 G C 0.283 175.180 174.900 -0.005 0.000 0.991 141 G CA 0.882 45.982 45.100 0.000 0.000 0.689 141 G HN 1.291 nan 8.290 nan 0.000 0.522 142 S N -0.643 115.050 115.700 -0.012 0.000 2.585 142 S HA 0.474 4.944 4.470 0.001 0.000 0.273 142 S C 0.183 174.776 174.600 -0.012 0.000 1.339 142 S CA -0.061 58.129 58.200 -0.018 0.000 1.028 142 S CB 1.786 64.968 63.200 -0.031 0.000 0.906 142 S HN 0.627 nan 8.310 nan 0.000 0.528 143 N N 2.291 120.977 118.700 -0.024 0.000 2.462 143 N HA 0.345 5.086 4.740 0.001 0.000 0.242 143 N C -1.653 173.843 175.510 -0.022 0.000 1.010 143 N CA -2.521 50.507 53.050 -0.036 0.000 0.939 143 N CB 1.119 39.557 38.487 -0.082 0.000 1.127 143 N HN 0.373 nan 8.380 nan 0.000 0.509 144 P HA -0.023 nan 4.420 nan 0.000 0.233 144 P C 0.254 177.577 177.300 0.037 0.000 1.167 144 P CA 0.821 63.937 63.100 0.028 0.000 0.770 144 P CB 0.561 32.291 31.700 0.050 0.000 0.837 145 E N -0.261 119.947 120.200 0.014 0.000 2.371 145 E HA -0.067 4.283 4.350 0.001 0.000 0.194 145 E C 0.846 177.465 176.600 0.032 0.000 1.012 145 E CA 0.434 56.867 56.400 0.055 0.000 0.860 145 E CB -0.112 29.574 29.700 -0.023 0.000 0.811 145 E HN 0.281 nan 8.360 nan 0.000 0.502 146 Q N 2.428 122.209 119.800 -0.032 0.000 2.307 146 Q HA 0.008 4.349 4.340 0.001 0.000 0.261 146 Q C -0.767 175.247 176.000 0.025 0.000 1.051 146 Q CA -0.101 55.685 55.803 -0.029 0.000 0.911 146 Q CB 0.540 29.247 28.738 -0.053 0.000 1.227 146 Q HN -0.177 nan 8.270 nan 0.000 0.418 147 D N 6.142 126.577 120.400 0.059 0.000 2.358 147 D HA 0.034 4.674 4.640 0.001 0.000 0.258 147 D C -1.670 174.651 176.300 0.035 0.000 1.223 147 D CA -1.833 52.199 54.000 0.054 0.000 0.886 147 D CB 1.253 42.097 40.800 0.075 0.000 1.120 147 D HN 0.429 nan 8.370 nan 0.000 0.482 148 P HA -0.089 nan 4.420 nan 0.000 0.225 148 P C 1.204 178.508 177.300 0.007 0.000 1.148 148 P CA 0.709 63.810 63.100 0.002 0.000 0.779 148 P CB 0.323 32.013 31.700 -0.018 0.000 0.780 149 L N -1.290 119.941 121.223 0.014 0.000 2.607 149 L HA 0.202 4.542 4.340 0.001 0.000 0.228 149 L C 1.525 178.411 176.870 0.027 0.000 1.123 149 L CA 0.185 55.034 54.840 0.015 0.000 0.890 149 L CB -0.140 41.924 42.059 0.008 0.000 1.103 149 L HN -0.184 nan 8.230 nan 0.000 0.468 150 R N -0.061 120.465 120.500 0.044 0.000 2.734 150 R HA 0.218 4.559 4.340 0.001 0.000 0.395 150 R C -0.471 175.891 176.300 0.103 0.000 1.096 150 R CA -0.251 55.889 56.100 0.067 0.000 1.071 150 R CB 0.383 30.727 30.300 0.073 0.000 1.348 150 R HN 0.058 nan 8.270 nan 0.000 0.600 151 N N 0.468 119.203 118.700 0.059 0.000 2.471 151 N HA 0.402 5.142 4.740 0.001 0.000 0.288 151 N C -0.824 174.589 175.510 -0.161 0.000 1.220 151 N CA -0.651 52.413 53.050 0.022 0.000 0.893 151 N CB 1.280 39.779 38.487 0.020 0.000 1.256 151 N HN 0.065 nan 8.380 nan 0.000 0.534 152 L N 1.954 122.911 121.223 -0.443 0.000 2.426 152 L HA 0.237 4.578 4.340 0.001 0.000 0.255 152 L C 1.370 178.045 176.870 -0.326 0.000 1.080 152 L CA -0.299 54.166 54.840 -0.624 0.000 0.960 152 L CB 0.586 41.902 42.059 -1.238 0.000 1.326 152 L HN 0.642 nan 8.230 nan 0.000 0.441 153 S N -0.259 115.348 115.700 -0.156 0.000 2.442 153 S HA -0.114 4.357 4.470 0.001 0.000 0.236 153 S C 1.770 176.326 174.600 -0.072 0.000 1.007 153 S CA 0.986 59.143 58.200 -0.073 0.000 0.965 153 S CB -0.159 63.013 63.200 -0.045 0.000 0.773 153 S HN 0.644 nan 8.310 nan 0.000 0.504 154 G N 0.389 109.127 108.800 -0.103 0.000 2.712 154 G HA2 0.087 4.048 3.960 0.001 0.000 0.212 154 G HA3 0.087 4.048 3.960 0.001 0.000 0.212 154 G C 0.561 175.416 174.900 -0.074 0.000 1.142 154 G CA -0.308 44.743 45.100 -0.081 0.000 0.789 154 G HN 0.372 nan 8.290 nan 0.000 0.535 155 Q N 0.682 120.419 119.800 -0.106 0.000 2.300 155 Q HA 0.462 4.802 4.340 0.001 0.000 0.280 155 Q C -0.088 175.934 176.000 0.036 0.000 1.033 155 Q CA 0.306 56.082 55.803 -0.045 0.000 0.903 155 Q CB 1.294 29.998 28.738 -0.057 0.000 1.195 155 Q HN 0.294 nan 8.270 nan 0.000 0.386 156 A N 2.185 125.036 122.820 0.052 0.000 2.566 156 A HA 0.761 5.081 4.320 0.001 0.000 0.292 156 A C -0.915 176.729 177.584 0.099 0.000 1.112 156 A CA -0.574 51.503 52.037 0.068 0.000 0.707 156 A CB 1.470 20.492 19.000 0.037 0.000 1.302 156 A HN 0.485 nan 8.150 nan 0.000 0.409 157 V N -2.060 117.928 119.914 0.123 0.000 3.001 157 V HA 0.936 5.057 4.120 0.001 0.000 0.314 157 V C -0.487 175.697 176.094 0.149 0.000 1.099 157 V CA -0.515 61.881 62.300 0.159 0.000 0.989 157 V CB 1.659 33.632 31.823 0.248 0.000 1.040 157 V HN 0.858 nan 8.190 nan 0.000 0.434 158 T N 2.887 117.531 114.554 0.149 0.000 2.786 158 T HA 0.566 4.917 4.350 0.001 0.000 0.283 158 T C -0.293 174.460 174.700 0.089 0.000 0.992 158 T CA -0.406 61.772 62.100 0.130 0.000 0.954 158 T CB 0.911 69.883 68.868 0.172 0.000 0.934 158 T HN 0.764 nan 8.240 nan 0.000 0.440 159 R N 2.622 123.164 120.500 0.070 0.000 2.396 159 R HA 0.592 4.932 4.340 0.001 0.000 0.292 159 R C -0.581 175.741 176.300 0.036 0.000 1.240 159 R CA -0.591 55.524 56.100 0.025 0.000 1.270 159 R CB 0.768 31.060 30.300 -0.013 0.000 1.108 159 R HN 0.526 nan 8.270 nan 0.000 0.573 160 V N -1.663 118.272 119.914 0.035 0.000 3.147 160 V HA 0.461 4.582 4.120 0.001 0.000 0.306 160 V C -0.066 176.046 176.094 0.030 0.000 1.209 160 V CA -1.123 61.201 62.300 0.040 0.000 1.023 160 V CB 1.982 33.837 31.823 0.054 0.000 1.059 160 V HN 0.136 nan 8.190 nan 0.000 0.435 161 V N 3.365 123.299 119.914 0.033 0.000 2.599 161 V HA 0.480 4.600 4.120 0.001 0.000 0.300 161 V C 1.795 177.905 176.094 0.027 0.000 1.034 161 V CA 1.963 64.282 62.300 0.032 0.000 1.115 161 V CB 0.118 31.963 31.823 0.036 0.000 0.934 161 V HN 2.134 nan 8.190 nan 0.000 0.485 162 G N 3.213 112.025 108.800 0.019 0.000 2.225 162 G HA2 -0.024 3.936 3.960 0.001 0.000 0.254 162 G HA3 -0.024 3.936 3.960 0.001 0.000 0.254 162 G C 1.071 175.945 174.900 -0.043 0.000 0.988 162 G CA 0.385 45.483 45.100 -0.003 0.000 0.625 162 G HN 2.240 nan 8.290 nan 0.000 0.527 163 G N -0.188 108.597 108.800 -0.026 0.000 2.564 163 G HA2 -0.228 3.732 3.960 0.001 0.000 0.273 163 G HA3 -0.228 3.732 3.960 0.001 0.000 0.273 163 G C 1.065 175.904 174.900 -0.102 0.000 1.242 163 G CA 1.030 46.106 45.100 -0.039 0.000 0.951 163 G HN 1.082 nan 8.290 nan 0.000 0.564 164 M N 1.500 121.004 119.600 -0.160 0.000 2.557 164 M HA 0.013 4.493 4.480 0.001 0.000 0.259 164 M C 2.680 178.644 176.300 -0.561 0.000 1.086 164 M CA 1.658 56.731 55.300 -0.379 0.000 1.096 164 M CB -0.173 32.303 32.600 -0.207 0.000 1.424 164 M HN 0.743 nan 8.290 nan 0.000 0.488 165 S N -0.502 114.920 115.700 -0.463 0.000 2.555 165 S HA -0.075 4.395 4.470 0.001 0.000 0.230 165 S C 1.720 176.180 174.600 -0.233 0.000 0.978 165 S CA 1.197 59.016 58.200 -0.635 0.000 0.934 165 S CB -0.992 61.868 63.200 -0.566 0.000 0.766 165 S HN 0.583 nan 8.310 nan 0.000 0.533 166 T N -0.510 113.909 114.554 -0.225 0.000 3.035 166 T HA -0.045 4.305 4.350 0.001 0.000 0.268 166 T C 1.472 175.982 174.700 -0.316 0.000 1.109 166 T CA 1.041 63.038 62.100 -0.172 0.000 1.119 166 T CB -0.706 68.153 68.868 -0.016 0.000 0.900 166 T HN 0.916 nan 8.240 nan 0.000 0.503 167 H N -1.984 117.005 119.070 -0.134 0.000 3.680 167 H HA 0.199 4.756 4.556 0.000 0.000 0.260 167 H C 0.591 176.134 175.328 0.358 0.000 1.183 167 H CA -1.018 55.099 56.048 0.114 0.000 1.159 167 H CB -0.461 29.371 29.762 0.116 0.000 1.567 167 H HN 0.491 nan 8.280 nan 0.000 0.648 168 W N 2.934 124.187 121.300 -0.079 0.000 2.089 168 W HA 0.230 4.890 4.660 0.000 0.000 0.355 168 W C -0.002 176.630 176.519 0.188 0.000 1.305 168 W CA 0.050 57.467 57.345 0.120 0.000 1.281 168 W CB -0.145 29.308 29.460 -0.012 0.000 1.183 168 W HN -0.167 nan 8.180 nan 0.000 0.604 169 T N 1.269 115.777 114.554 -0.077 0.000 3.085 169 T HA -0.032 4.319 4.350 0.001 0.000 0.263 169 T C 1.091 175.337 174.700 -0.756 0.000 1.127 169 T CA 1.255 63.129 62.100 -0.378 0.000 1.103 169 T CB -0.539 68.257 68.868 -0.119 0.000 0.921 169 T HN 0.675 nan 8.240 nan 0.000 0.510 170 C N 0.955 119.409 119.300 -1.409 0.000 4.465 170 C HA -0.108 4.352 4.460 0.001 0.000 0.274 170 C C 1.102 175.588 174.990 -0.840 0.000 1.337 170 C CA -0.758 57.190 59.018 -1.783 0.000 1.822 170 C CB -2.750 24.460 27.740 -0.882 0.000 1.357 170 C HN 0.766 nan 8.230 nan 0.000 0.753 171 A N 1.100 123.633 122.820 -0.478 0.000 2.404 171 A HA 0.569 4.890 4.320 0.001 0.000 0.273 171 A C 0.774 178.284 177.584 -0.123 0.000 1.144 171 A CA 1.069 52.990 52.037 -0.194 0.000 0.806 171 A CB 0.203 19.172 19.000 -0.052 0.000 1.080 171 A HN 1.396 nan 8.150 nan 0.000 0.509 172 T N 1.607 116.104 114.554 -0.095 0.000 3.466 172 T HA 0.500 4.850 4.350 0.001 0.000 0.297 172 T C -2.644 172.019 174.700 -0.060 0.000 1.640 172 T CA -1.498 60.585 62.100 -0.028 0.000 1.631 172 T CB 0.529 69.412 68.868 0.025 0.000 0.928 172 T HN 0.457 nan 8.240 nan 0.000 0.688 173 P HA 0.328 nan 4.420 nan 0.000 0.278 173 P C -0.160 177.005 177.300 -0.224 0.000 1.238 173 P CA -0.581 62.425 63.100 -0.158 0.000 0.794 173 P CB 1.111 32.678 31.700 -0.223 0.000 0.955 174 R N 1.183 121.461 120.500 -0.371 0.000 2.641 174 R HA 0.335 4.675 4.340 0.001 0.000 0.269 174 R C 0.098 176.281 176.300 -0.195 0.000 1.074 174 R CA -0.285 55.408 56.100 -0.678 0.000 1.133 174 R CB 0.097 29.855 30.300 -0.903 0.000 1.029 174 R HN 0.381 nan 8.270 nan 0.000 0.488 175 F N 2.152 121.868 119.950 -0.390 0.000 2.396 175 F HA 0.056 4.584 4.527 0.001 0.000 0.343 175 F C 0.968 176.582 175.800 -0.310 0.000 1.104 175 F CA -1.569 56.232 58.000 -0.331 0.000 1.161 175 F CB 0.361 39.159 39.000 -0.336 0.000 1.146 175 F HN 0.543 nan 8.300 nan 0.000 0.522 176 D N 2.754 123.084 120.400 -0.118 0.000 2.384 176 D HA 0.099 4.739 4.640 0.001 0.000 0.244 176 D C 1.099 177.320 176.300 -0.132 0.000 1.251 176 D CA -0.402 53.531 54.000 -0.112 0.000 0.961 176 D CB 0.587 41.337 40.800 -0.083 0.000 1.116 176 D HN 0.476 nan 8.370 nan 0.000 0.484 177 R N -0.278 120.169 120.500 -0.088 0.000 2.113 177 R HA -0.225 4.116 4.340 0.001 0.000 0.244 177 R C 2.102 178.358 176.300 -0.073 0.000 1.142 177 R CA 1.989 58.046 56.100 -0.072 0.000 0.953 177 R CB -0.384 29.908 30.300 -0.015 0.000 0.860 177 R HN 0.722 nan 8.270 nan 0.000 0.438 178 E N 0.839 120.999 120.200 -0.067 0.000 2.204 178 E HA -0.226 4.124 4.350 0.001 0.000 0.195 178 E C 1.522 178.039 176.600 -0.138 0.000 0.990 178 E CA 1.214 57.587 56.400 -0.044 0.000 0.821 178 E CB 0.170 29.899 29.700 0.049 0.000 0.750 178 E HN 0.437 nan 8.360 nan 0.000 0.477 179 Q N -0.401 119.215 119.800 -0.307 0.000 2.384 179 Q HA 0.118 4.458 4.340 0.001 0.000 0.207 179 Q C 0.425 176.333 176.000 -0.153 0.000 0.904 179 Q CA -0.074 55.480 55.803 -0.415 0.000 0.933 179 Q CB 0.561 28.757 28.738 -0.904 0.000 1.077 179 Q HN -0.019 nan 8.270 nan 0.000 0.522 180 R N 2.071 122.522 120.500 -0.081 0.000 2.460 180 R HA 0.300 4.641 4.340 0.001 0.000 0.303 180 R C -2.523 173.763 176.300 -0.024 0.000 0.968 180 R CA -2.102 53.947 56.100 -0.085 0.000 0.889 180 R CB 1.038 31.094 30.300 -0.406 0.000 1.123 180 R HN -0.114 nan 8.270 nan 0.000 0.455 181 P HA 0.046 nan 4.420 nan 0.000 0.272 181 P C -0.582 176.900 177.300 0.304 0.000 1.223 181 P CA -0.146 63.054 63.100 0.167 0.000 0.784 181 P CB 0.747 32.550 31.700 0.172 0.000 0.923 182 L N 2.356 123.731 121.223 0.254 0.000 2.410 182 L HA 0.114 4.454 4.340 0.001 0.000 0.273 182 L C 1.791 178.814 176.870 0.256 0.000 1.152 182 L CA -0.145 54.906 54.840 0.351 0.000 0.855 182 L CB 0.057 42.374 42.059 0.430 0.000 1.129 182 L HN 0.359 nan 8.230 nan 0.000 0.463 183 L N 3.555 124.945 121.223 0.279 0.000 2.470 183 L HA 0.179 4.520 4.340 0.001 0.000 0.219 183 L C -0.024 177.014 176.870 0.281 0.000 1.071 183 L CA 0.215 55.093 54.840 0.063 0.000 0.850 183 L CB 0.504 42.384 42.059 -0.298 0.000 1.040 183 L HN 0.329 nan 8.230 nan 0.000 0.475 184 V N 1.269 121.367 119.914 0.306 0.000 2.487 184 V HA 0.225 4.346 4.120 0.001 0.000 0.298 184 V C -0.201 176.007 176.094 0.191 0.000 1.028 184 V CA -1.008 61.425 62.300 0.221 0.000 0.860 184 V CB 1.682 33.567 31.823 0.104 0.000 0.991 184 V HN 0.186 nan 8.190 nan 0.000 0.427 185 K N 2.405 122.765 120.400 -0.068 0.000 2.144 185 K HA 0.393 4.713 4.320 0.001 0.000 0.270 185 K C -0.340 176.213 176.600 -0.078 0.000 1.005 185 K CA -0.399 55.790 56.287 -0.163 0.000 0.932 185 K CB 0.832 32.998 32.500 -0.556 0.000 1.021 185 K HN 0.586 nan 8.250 nan 0.000 0.462 186 D N 0.640 121.022 120.400 -0.030 0.000 2.870 186 D HA -0.155 4.485 4.640 0.001 0.000 0.228 186 D C -1.015 175.287 176.300 0.005 0.000 1.147 186 D CA 1.556 55.547 54.000 -0.015 0.000 0.757 186 D CB -0.764 40.012 40.800 -0.040 0.000 1.091 186 D HN 0.792 nan 8.370 nan 0.000 0.429 187 D N -1.423 118.994 120.400 0.028 0.000 2.362 187 D HA 0.418 5.059 4.640 0.001 0.000 0.232 187 D C 0.752 177.090 176.300 0.063 0.000 1.329 187 D CA 0.180 54.202 54.000 0.038 0.000 0.944 187 D CB 0.582 41.399 40.800 0.028 0.000 1.471 187 D HN -0.034 nan 8.370 nan 0.000 0.533 188 A N 2.823 125.682 122.820 0.064 0.000 1.969 188 A HA -0.115 4.205 4.320 0.001 0.000 0.218 188 A C 1.586 179.221 177.584 0.084 0.000 1.169 188 A CA 1.343 53.429 52.037 0.082 0.000 0.635 188 A CB -0.031 19.010 19.000 0.068 0.000 0.810 188 A HN 0.464 nan 8.150 nan 0.000 0.445 189 D N 0.202 120.641 120.400 0.064 0.000 2.117 189 D HA -0.032 4.608 4.640 0.001 0.000 0.197 189 D C 2.205 178.545 176.300 0.067 0.000 0.987 189 D CA 1.564 55.600 54.000 0.061 0.000 0.829 189 D CB -0.359 40.467 40.800 0.044 0.000 0.961 189 D HN 0.416 nan 8.370 nan 0.000 0.460 190 A N 0.507 123.363 122.820 0.060 0.000 1.898 190 A HA -0.184 4.137 4.320 0.001 0.000 0.216 190 A C 1.941 179.569 177.584 0.073 0.000 1.181 190 A CA 1.901 53.969 52.037 0.053 0.000 0.620 190 A CB -0.654 18.370 19.000 0.039 0.000 0.819 190 A HN 0.190 nan 8.150 nan 0.000 0.442 191 D N -0.116 120.351 120.400 0.113 0.000 2.104 191 D HA -0.172 4.468 4.640 0.001 0.000 0.194 191 D C 1.284 177.748 176.300 0.274 0.000 0.994 191 D CA 1.660 55.772 54.000 0.187 0.000 0.830 191 D CB -0.144 40.798 40.800 0.237 0.000 0.959 191 D HN 0.343 nan 8.370 nan 0.000 0.452 192 D N -0.269 120.265 120.400 0.222 0.000 2.123 192 D HA -0.140 4.500 4.640 0.001 0.000 0.196 192 D C 1.994 178.408 176.300 0.190 0.000 0.992 192 D CA 1.502 55.633 54.000 0.219 0.000 0.833 192 D CB -0.620 40.262 40.800 0.136 0.000 0.954 192 D HN 0.331 nan 8.370 nan 0.000 0.455 193 A N 0.602 123.492 122.820 0.117 0.000 1.902 193 A HA -0.211 4.109 4.320 0.001 0.000 0.217 193 A C 2.147 179.760 177.584 0.048 0.000 1.181 193 A CA 1.831 53.913 52.037 0.074 0.000 0.623 193 A CB -0.492 18.534 19.000 0.043 0.000 0.818 193 A HN 0.115 nan 8.150 nan 0.000 0.443 194 E N -0.835 119.373 120.200 0.012 0.000 2.047 194 E HA -0.171 4.180 4.350 0.001 0.000 0.191 194 E C 1.685 178.190 176.600 -0.158 0.000 0.987 194 E CA 1.385 57.716 56.400 -0.115 0.000 0.799 194 E CB -0.430 29.151 29.700 -0.200 0.000 0.752 194 E HN 0.742 nan 8.360 nan 0.000 0.449 195 W N 0.638 121.906 121.300 -0.053 0.000 2.381 195 W HA -0.106 4.554 4.660 0.000 0.000 0.301 195 W C 2.183 178.707 176.519 0.008 0.000 1.205 195 W CA 1.125 58.409 57.345 -0.103 0.000 1.285 195 W CB -0.343 29.101 29.460 -0.027 0.000 1.133 195 W HN 0.188 nan 8.180 nan 0.000 0.521 196 D N 0.084 120.664 120.400 0.300 0.000 2.117 196 D HA -0.216 4.424 4.640 0.001 0.000 0.197 196 D C 2.138 178.518 176.300 0.134 0.000 0.987 196 D CA 1.450 55.590 54.000 0.233 0.000 0.829 196 D CB -0.214 40.675 40.800 0.148 0.000 0.961 196 D HN -0.013 nan 8.370 nan 0.000 0.460 197 R N -0.311 120.219 120.500 0.050 0.000 2.075 197 R HA -0.056 4.284 4.340 0.001 0.000 0.232 197 R C 2.455 178.721 176.300 -0.056 0.000 1.126 197 R CA 0.926 57.018 56.100 -0.013 0.000 0.963 197 R CB -0.258 30.013 30.300 -0.048 0.000 0.858 197 R HN 0.249 nan 8.270 nan 0.000 0.435 198 L N -0.430 120.729 121.223 -0.106 0.000 2.027 198 L HA -0.181 4.159 4.340 0.001 0.000 0.206 198 L C 2.349 179.157 176.870 -0.102 0.000 1.074 198 L CA 1.229 55.954 54.840 -0.192 0.000 0.745 198 L CB -0.670 41.173 42.059 -0.359 0.000 0.898 198 L HN 0.182 nan 8.230 nan 0.000 0.433 199 Y N 0.497 120.802 120.300 0.009 0.000 2.165 199 Y HA -0.249 4.302 4.550 0.000 0.000 0.286 199 Y C 2.891 178.774 175.900 -0.028 0.000 1.155 199 Y CA 1.601 59.712 58.100 0.019 0.000 1.164 199 Y CB -1.176 37.326 38.460 0.070 0.000 0.978 199 Y HN 0.154 nan 8.280 nan 0.000 0.513 200 T N -0.329 114.304 114.554 0.132 0.000 2.708 200 T HA -0.232 4.118 4.350 0.001 0.000 0.266 200 T C 1.979 176.652 174.700 -0.045 0.000 1.037 200 T CA 1.790 63.916 62.100 0.043 0.000 1.146 200 T CB -0.205 68.680 68.868 0.027 0.000 0.865 200 T HN 0.232 nan 8.240 nan 0.000 0.435 201 K N 0.925 121.243 120.400 -0.137 0.000 2.026 201 K HA -0.001 4.319 4.320 0.001 0.000 0.208 201 K C 2.534 178.836 176.600 -0.498 0.000 1.048 201 K CA 1.139 57.221 56.287 -0.341 0.000 0.929 201 K CB -0.343 31.906 32.500 -0.418 0.000 0.713 201 K HN 0.262 nan 8.250 nan 0.000 0.439 202 A N 1.286 123.917 122.820 -0.315 0.000 1.940 202 A HA -0.233 4.087 4.320 0.001 0.000 0.219 202 A C 1.820 179.421 177.584 0.029 0.000 1.176 202 A CA 1.938 53.867 52.037 -0.180 0.000 0.631 202 A CB -0.518 18.485 19.000 0.006 0.000 0.814 202 A HN 0.497 nan 8.150 nan 0.000 0.446 203 E N -0.749 119.501 120.200 0.083 0.000 2.106 203 E HA -0.114 4.237 4.350 0.001 0.000 0.192 203 E C 2.252 178.941 176.600 0.147 0.000 0.984 203 E CA 0.970 57.465 56.400 0.159 0.000 0.806 203 E CB -0.165 29.599 29.700 0.108 0.000 0.750 203 E HN 0.592 nan 8.360 nan 0.000 0.458 204 S N -0.178 115.557 115.700 0.058 0.000 2.353 204 S HA -0.189 4.281 4.470 0.001 0.000 0.222 204 S C 1.839 176.572 174.600 0.222 0.000 1.035 204 S CA 1.110 59.364 58.200 0.090 0.000 1.025 204 S CB -0.247 62.964 63.200 0.018 0.000 0.902 204 S HN 0.269 nan 8.310 nan 0.000 0.440 205 Y N 0.300 120.609 120.300 0.015 0.000 2.128 205 Y HA -0.027 4.524 4.550 0.001 0.000 0.284 205 Y C 2.157 178.082 175.900 0.043 0.000 1.154 205 Y CA 0.453 58.529 58.100 -0.039 0.000 1.149 205 Y CB -1.236 37.111 38.460 -0.189 0.000 0.976 205 Y HN 0.324 nan 8.280 nan 0.000 0.505 206 F N 0.319 120.431 119.950 0.269 0.000 2.748 206 F HA -0.016 4.512 4.527 0.000 0.000 0.299 206 F C 0.905 176.819 175.800 0.190 0.000 1.154 206 F CA 0.282 58.427 58.000 0.243 0.000 1.446 206 F CB -0.486 38.678 39.000 0.273 0.000 1.112 206 F HN 0.046 nan 8.300 nan 0.000 0.584 207 Q N 0.365 120.360 119.800 0.325 0.000 2.451 207 Q HA -0.200 4.140 4.340 0.001 0.000 0.305 207 Q C 0.060 176.155 176.000 0.160 0.000 1.345 207 Q CA 0.811 56.734 55.803 0.199 0.000 0.854 207 Q CB -2.685 26.147 28.738 0.156 0.000 1.162 207 Q HN 0.223 nan 8.270 nan 0.000 0.440 208 T N 0.124 114.786 114.554 0.179 0.000 2.888 208 T HA 0.422 4.773 4.350 0.001 0.000 0.301 208 T C 0.784 175.522 174.700 0.063 0.000 1.001 208 T CA 0.567 62.735 62.100 0.113 0.000 1.147 208 T CB 1.248 70.190 68.868 0.124 0.000 0.931 208 T HN 0.469 nan 8.240 nan 0.000 0.541 209 G N 0.766 109.588 108.800 0.037 0.000 2.680 209 G HA2 0.567 4.527 3.960 0.001 0.000 0.290 209 G HA3 0.567 4.527 3.960 0.001 0.000 0.290 209 G C 0.189 175.106 174.900 0.028 0.000 1.355 209 G CA -0.684 44.430 45.100 0.023 0.000 0.903 209 G HN 0.624 nan 8.290 nan 0.000 0.474 210 T N -2.559 112.012 114.554 0.029 0.000 3.231 210 T HA 0.245 4.595 4.350 0.001 0.000 0.292 210 T C 0.142 174.871 174.700 0.047 0.000 1.001 210 T CA 0.467 62.593 62.100 0.044 0.000 0.920 210 T CB 0.394 69.288 68.868 0.044 0.000 1.140 210 T HN 0.488 nan 8.240 nan 0.000 0.525 211 D N 0.329 120.744 120.400 0.024 0.000 2.520 211 D HA 0.058 4.698 4.640 0.001 0.000 0.223 211 D C 1.305 177.575 176.300 -0.050 0.000 1.186 211 D CA -0.066 53.933 54.000 -0.002 0.000 0.821 211 D CB -0.163 40.626 40.800 -0.018 0.000 1.072 211 D HN 0.247 nan 8.370 nan 0.000 0.518 212 Q N -0.350 119.425 119.800 -0.042 0.000 2.437 212 Q HA 0.130 4.470 4.340 0.001 0.000 0.210 212 Q C 0.261 175.990 176.000 -0.451 0.000 0.972 212 Q CA 0.884 56.558 55.803 -0.216 0.000 0.903 212 Q CB -0.317 28.274 28.738 -0.246 0.000 0.967 212 Q HN 0.281 nan 8.270 nan 0.000 0.486 213 F N -0.081 119.726 119.950 -0.238 0.000 2.698 213 F HA 0.228 4.755 4.527 0.000 0.000 0.304 213 F C 1.305 176.931 175.800 -0.290 0.000 1.108 213 F CA -0.559 57.264 58.000 -0.296 0.000 1.263 213 F CB 0.306 39.060 39.000 -0.411 0.000 1.013 213 F HN 0.012 nan 8.300 nan 0.000 0.532 214 K N 0.404 120.743 120.400 -0.101 0.000 2.209 214 K HA -0.117 4.203 4.320 0.001 0.000 0.204 214 K C 0.685 177.287 176.600 0.003 0.000 1.048 214 K CA 1.669 57.953 56.287 -0.005 0.000 0.940 214 K CB -0.210 32.276 32.500 -0.022 0.000 0.729 214 K HN 0.312 nan 8.250 nan 0.000 0.451 215 E N 1.562 121.670 120.200 -0.153 0.000 2.419 215 E HA 0.048 4.398 4.350 0.001 0.000 0.190 215 E C -0.644 175.959 176.600 0.004 0.000 1.040 215 E CA -0.354 55.881 56.400 -0.276 0.000 0.900 215 E CB 0.824 30.174 29.700 -0.583 0.000 1.054 215 E HN 0.212 nan 8.360 nan 0.000 0.462 216 S N 0.568 116.340 115.700 0.120 0.000 2.499 216 S HA 0.180 4.651 4.470 0.001 0.000 0.275 216 S C 1.136 175.856 174.600 0.199 0.000 1.257 216 S CA -0.452 57.838 58.200 0.150 0.000 1.050 216 S CB 0.514 63.848 63.200 0.224 0.000 0.937 216 S HN 0.191 nan 8.310 nan 0.000 0.490 217 I N 5.009 125.564 120.570 -0.024 0.000 2.226 217 I HA -0.171 3.999 4.170 0.001 0.000 0.245 217 I C 2.642 178.744 176.117 -0.025 0.000 1.100 217 I CA 1.281 62.391 61.300 -0.316 0.000 1.374 217 I CB -0.148 37.384 38.000 -0.780 0.000 1.057 217 I HN 0.690 nan 8.210 nan 0.000 0.413 218 R N -0.769 119.741 120.500 0.017 0.000 2.092 218 R HA -0.201 4.140 4.340 0.001 0.000 0.231 218 R C 2.325 178.703 176.300 0.131 0.000 1.119 218 R CA 1.465 57.603 56.100 0.064 0.000 0.970 218 R CB -0.630 29.695 30.300 0.042 0.000 0.864 218 R HN 0.416 nan 8.270 nan 0.000 0.440 219 H N 1.313 120.441 119.070 0.097 0.000 2.290 219 H HA -0.079 4.478 4.556 0.001 0.000 0.298 219 H C 1.863 177.278 175.328 0.144 0.000 1.087 219 H CA 1.955 58.069 56.048 0.109 0.000 1.291 219 H CB -0.149 29.708 29.762 0.158 0.000 1.369 219 H HN 0.125 nan 8.280 nan 0.000 0.492 220 N N -0.047 118.809 118.700 0.259 0.000 2.069 220 N HA -0.159 4.581 4.740 0.001 0.000 0.191 220 N C 2.016 177.636 175.510 0.185 0.000 1.031 220 N CA 1.289 54.497 53.050 0.262 0.000 0.852 220 N CB -0.328 38.514 38.487 0.590 0.000 1.018 220 N HN 0.271 nan 8.380 nan 0.000 0.423 221 L N 1.395 122.770 121.223 0.253 0.000 2.043 221 L HA -0.143 4.198 4.340 0.001 0.000 0.212 221 L C 2.225 179.135 176.870 0.066 0.000 1.075 221 L CA 1.331 56.289 54.840 0.197 0.000 0.752 221 L CB -0.605 41.563 42.059 0.181 0.000 0.891 221 L HN -0.068 nan 8.230 nan 0.000 0.432 222 V N -1.033 118.887 119.914 0.010 0.000 2.283 222 V HA -0.253 3.868 4.120 0.001 0.000 0.243 222 V C 2.401 178.419 176.094 -0.126 0.000 1.039 222 V CA 1.737 64.009 62.300 -0.046 0.000 1.016 222 V CB -0.444 31.331 31.823 -0.080 0.000 0.650 222 V HN 0.462 nan 8.190 nan 0.000 0.449 223 L N 0.443 121.552 121.223 -0.190 0.000 2.017 223 L HA -0.197 4.143 4.340 0.001 0.000 0.208 223 L C 2.432 179.205 176.870 -0.162 0.000 1.073 223 L CA 1.838 56.547 54.840 -0.217 0.000 0.745 223 L CB -0.444 41.455 42.059 -0.266 0.000 0.894 223 L HN 0.392 nan 8.230 nan 0.000 0.432 224 N N -0.016 118.636 118.700 -0.080 0.000 2.188 224 N HA -0.214 4.526 4.740 0.001 0.000 0.184 224 N C 1.749 177.215 175.510 -0.073 0.000 1.018 224 N CA 1.174 54.194 53.050 -0.051 0.000 0.858 224 N CB -0.224 38.250 38.487 -0.022 0.000 0.989 224 N HN 0.249 nan 8.380 nan 0.000 0.426 225 K N 1.476 121.832 120.400 -0.074 0.000 2.025 225 K HA 0.080 4.400 4.320 0.001 0.000 0.207 225 K C 1.998 178.532 176.600 -0.110 0.000 1.049 225 K CA 0.764 57.010 56.287 -0.069 0.000 0.933 225 K CB -0.409 32.072 32.500 -0.032 0.000 0.714 225 K HN 0.074 nan 8.250 nan 0.000 0.438 226 L N 0.036 121.124 121.223 -0.225 0.000 2.017 226 L HA -0.168 4.172 4.340 0.001 0.000 0.208 226 L C 2.499 179.170 176.870 -0.332 0.000 1.073 226 L CA 1.893 56.502 54.840 -0.384 0.000 0.745 226 L CB -0.808 40.663 42.059 -0.980 0.000 0.894 226 L HN 0.361 nan 8.230 nan 0.000 0.432 227 T N -0.883 113.465 114.554 -0.343 0.000 2.881 227 T HA -0.174 4.177 4.350 0.001 0.000 0.270 227 T C 1.639 176.389 174.700 0.083 0.000 1.068 227 T CA 1.310 63.426 62.100 0.026 0.000 1.131 227 T CB -0.064 68.870 68.868 0.110 0.000 0.871 227 T HN 0.364 nan 8.240 nan 0.000 0.479 228 E N -0.052 120.152 120.200 0.007 0.000 2.152 228 E HA -0.044 4.306 4.350 0.001 0.000 0.192 228 E C 2.150 178.748 176.600 -0.003 0.000 0.983 228 E CA 0.687 57.089 56.400 0.003 0.000 0.818 228 E CB 0.135 29.816 29.700 -0.032 0.000 0.758 228 E HN 0.463 nan 8.360 nan 0.000 0.467 229 E N -0.317 119.872 120.200 -0.018 0.000 2.442 229 E HA -0.049 4.301 4.350 0.001 0.000 0.195 229 E C 0.550 176.984 176.600 -0.278 0.000 1.030 229 E CA 0.454 56.768 56.400 -0.143 0.000 0.869 229 E CB 0.216 29.796 29.700 -0.201 0.000 0.857 229 E HN 0.393 nan 8.360 nan 0.000 0.505 230 Y N 1.192 121.529 120.300 0.063 0.000 2.532 230 Y HA 0.111 4.661 4.550 0.001 0.000 0.283 230 Y C 0.335 176.277 175.900 0.071 0.000 1.181 230 Y CA -0.080 58.080 58.100 0.099 0.000 1.256 230 Y CB -0.051 38.536 38.460 0.212 0.000 1.112 230 Y HN -0.095 nan 8.280 nan 0.000 0.521 231 K N -0.802 119.655 120.400 0.094 0.000 3.020 231 K HA -0.295 4.026 4.320 0.001 0.000 0.266 231 K C 1.239 177.895 176.600 0.094 0.000 1.067 231 K CA 0.583 56.912 56.287 0.070 0.000 0.780 231 K CB -2.188 30.339 32.500 0.046 0.000 1.220 231 K HN 0.680 nan 8.250 nan 0.000 0.483 232 G N -0.104 108.772 108.800 0.127 0.000 2.184 232 G HA2 -0.351 3.609 3.960 0.001 0.000 0.264 232 G HA3 -0.351 3.609 3.960 0.001 0.000 0.264 232 G C 0.699 175.662 174.900 0.105 0.000 0.975 232 G CA 0.740 45.905 45.100 0.108 0.000 0.642 232 G HN 0.355 nan 8.290 nan 0.000 0.536 233 Q N -0.506 119.372 119.800 0.130 0.000 2.384 233 Q HA 0.195 4.536 4.340 0.001 0.000 0.207 233 Q C 1.334 177.387 176.000 0.088 0.000 0.904 233 Q CA 0.623 56.489 55.803 0.105 0.000 0.933 233 Q CB 0.535 29.339 28.738 0.109 0.000 1.077 233 Q HN 0.708 nan 8.270 nan 0.000 0.522 234 R N 0.685 121.237 120.500 0.087 0.000 2.621 234 R HA 0.406 4.746 4.340 0.001 0.000 0.292 234 R C -1.074 175.168 176.300 -0.096 0.000 0.969 234 R CA -0.695 55.344 56.100 -0.102 0.000 0.887 234 R CB 1.419 31.424 30.300 -0.493 0.000 1.180 234 R HN -0.112 nan 8.270 nan 0.000 0.450 235 D N 2.033 122.328 120.400 -0.176 0.000 2.177 235 D HA 0.318 4.958 4.640 0.001 0.000 0.247 235 D C -0.762 175.347 176.300 -0.318 0.000 1.063 235 D CA 0.057 54.004 54.000 -0.087 0.000 0.867 235 D CB 0.955 41.736 40.800 -0.033 0.000 1.168 235 D HN 0.182 nan 8.370 nan 0.000 0.445 236 F N 1.340 121.292 119.950 0.004 0.000 2.469 236 F HA 0.354 4.881 4.527 0.000 0.000 0.332 236 F C 0.745 176.557 175.800 0.020 0.000 1.103 236 F CA -0.658 57.339 58.000 -0.004 0.000 0.979 236 F CB 1.545 40.536 39.000 -0.015 0.000 1.137 236 F HN 0.192 nan 8.300 nan 0.000 0.463 237 Q N 0.915 120.813 119.800 0.164 0.000 2.687 237 Q HA 0.393 4.733 4.340 0.001 0.000 0.305 237 Q C -1.367 174.739 176.000 0.178 0.000 1.006 237 Q CA -1.284 54.609 55.803 0.149 0.000 0.763 237 Q CB 1.766 30.560 28.738 0.094 0.000 1.506 237 Q HN 0.616 nan 8.270 nan 0.000 0.459 238 Q N 0.872 120.800 119.800 0.213 0.000 2.364 238 Q HA 0.222 4.563 4.340 0.001 0.000 0.267 238 Q C -0.545 175.523 176.000 0.114 0.000 0.999 238 Q CA -0.227 55.713 55.803 0.228 0.000 0.886 238 Q CB 0.548 29.389 28.738 0.172 0.000 1.243 238 Q HN 0.596 nan 8.270 nan 0.000 0.415 239 I N 6.304 126.922 120.570 0.080 0.000 2.741 239 I HA -0.042 4.128 4.170 0.001 0.000 0.288 239 I C -1.983 174.148 176.117 0.023 0.000 1.192 239 I CA -1.432 59.894 61.300 0.043 0.000 1.426 239 I CB 0.219 38.221 38.000 0.004 0.000 1.367 239 I HN 0.451 nan 8.210 nan 0.000 0.563 240 P HA 0.230 nan 4.420 nan 0.000 0.271 240 P C -0.932 176.358 177.300 -0.017 0.000 1.226 240 P CA 0.121 63.223 63.100 0.004 0.000 0.765 240 P CB 0.467 32.158 31.700 -0.014 0.000 0.835 241 L N 2.463 123.685 121.223 -0.002 0.000 2.362 241 L HA 0.627 4.967 4.340 0.001 0.000 0.275 241 L C 0.317 177.178 176.870 -0.014 0.000 0.998 241 L CA -1.144 53.687 54.840 -0.014 0.000 0.820 241 L CB 2.069 44.177 42.059 0.081 0.000 1.270 241 L HN 0.253 nan 8.230 nan 0.000 0.415 242 A N 3.266 126.035 122.820 -0.085 0.000 2.671 242 A HA 0.752 5.072 4.320 0.001 0.000 0.306 242 A C 0.042 177.651 177.584 0.042 0.000 1.473 242 A CA 0.124 52.159 52.037 -0.002 0.000 1.155 242 A CB -0.344 18.605 19.000 -0.083 0.000 1.123 242 A HN 0.804 nan 8.150 nan 0.000 0.545 243 A N 1.917 124.731 122.820 -0.010 0.000 2.590 243 A HA 0.723 5.044 4.320 0.001 0.000 0.296 243 A C -0.548 176.922 177.584 -0.191 0.000 1.050 243 A CA -0.463 51.461 52.037 -0.188 0.000 0.697 243 A CB 0.732 19.427 19.000 -0.508 0.000 1.277 243 A HN 0.711 nan 8.150 nan 0.000 0.411 244 T N 1.462 115.865 114.554 -0.253 0.000 2.949 244 T HA 0.465 4.816 4.350 0.001 0.000 0.300 244 T C -0.160 174.389 174.700 -0.252 0.000 0.988 244 T CA -0.444 61.545 62.100 -0.185 0.000 0.993 244 T CB 1.225 70.043 68.868 -0.083 0.000 0.984 244 T HN 0.755 nan 8.240 nan 0.000 0.442 245 R N 2.370 122.711 120.500 -0.265 0.000 2.442 245 R HA 0.261 4.601 4.340 0.001 0.000 0.291 245 R C 0.759 176.977 176.300 -0.137 0.000 1.069 245 R CA -0.366 55.569 56.100 -0.275 0.000 1.022 245 R CB 0.397 30.505 30.300 -0.321 0.000 0.976 245 R HN 0.400 nan 8.270 nan 0.000 0.443 246 R N 1.161 121.632 120.500 -0.047 0.000 2.195 246 R HA 0.130 4.470 4.340 0.001 0.000 0.197 246 R C 0.339 176.630 176.300 -0.014 0.000 0.990 246 R CA 0.758 56.863 56.100 0.009 0.000 1.048 246 R CB 0.246 30.615 30.300 0.115 0.000 0.997 246 R HN 0.770 nan 8.270 nan 0.000 0.502 247 S N -1.295 114.403 115.700 -0.003 0.000 2.688 247 S HA 0.419 4.889 4.470 0.001 0.000 0.275 247 S C -2.568 171.992 174.600 -0.066 0.000 1.175 247 S CA -1.105 57.078 58.200 -0.030 0.000 0.818 247 S CB 2.225 65.428 63.200 0.006 0.000 1.157 247 S HN -0.260 nan 8.310 nan 0.000 0.482 248 P HA 0.063 nan 4.420 nan 0.000 0.225 248 P C 0.932 178.189 177.300 -0.072 0.000 1.148 248 P CA 1.417 64.460 63.100 -0.095 0.000 0.779 248 P CB -0.226 31.434 31.700 -0.067 0.000 0.780 249 T N -6.316 108.231 114.554 -0.012 0.000 3.145 249 T HA 0.317 4.667 4.350 0.001 0.000 0.281 249 T C -0.270 174.477 174.700 0.078 0.000 1.003 249 T CA -0.376 61.738 62.100 0.024 0.000 0.901 249 T CB -0.640 68.265 68.868 0.061 0.000 1.112 249 T HN -0.122 nan 8.240 nan 0.000 0.535 250 F N 1.357 121.243 119.950 -0.107 0.000 2.573 250 F HA 0.655 5.182 4.527 0.001 0.000 0.316 250 F C -1.688 173.984 175.800 -0.213 0.000 1.148 250 F CA -1.047 56.888 58.000 -0.108 0.000 0.940 250 F CB 1.980 40.934 39.000 -0.076 0.000 1.214 250 F HN -0.100 nan 8.300 nan 0.000 0.448 251 V N 5.139 124.549 119.914 -0.841 0.000 2.531 251 V HA 0.295 4.416 4.120 0.001 0.000 0.301 251 V C -0.522 174.929 176.094 -1.072 0.000 1.034 251 V CA -0.871 60.897 62.300 -0.886 0.000 0.865 251 V CB 1.755 32.883 31.823 -1.158 0.000 0.995 251 V HN 0.727 nan 8.190 nan 0.000 0.424 252 E N 4.395 124.267 120.200 -0.547 0.000 1.996 252 E HA 0.163 4.514 4.350 0.001 0.000 0.280 252 E C -1.115 175.275 176.600 -0.350 0.000 1.092 252 E CA -0.547 55.712 56.400 -0.234 0.000 0.862 252 E CB 0.453 30.183 29.700 0.051 0.000 1.066 252 E HN 0.635 nan 8.360 nan 0.000 0.396 253 W N 2.866 124.061 121.300 -0.175 0.000 2.238 253 W HA 0.119 4.779 4.660 0.000 0.000 0.321 253 W C 0.669 177.212 176.519 0.041 0.000 1.293 253 W CA -0.559 56.661 57.345 -0.208 0.000 1.204 253 W CB 0.914 30.000 29.460 -0.623 0.000 1.167 253 W HN 0.322 nan 8.180 nan 0.000 0.553 254 S N 1.682 117.589 115.700 0.345 0.000 2.614 254 S HA 0.598 5.068 4.470 0.001 0.000 0.265 254 S C 0.133 175.180 174.600 0.746 0.000 1.303 254 S CA -0.612 57.867 58.200 0.465 0.000 1.000 254 S CB 1.109 64.591 63.200 0.470 0.000 0.935 254 S HN 0.511 nan 8.310 nan 0.000 0.551 255 S N -0.399 115.684 115.700 0.638 0.000 2.727 255 S HA 0.693 5.163 4.470 0.001 0.000 0.278 255 S C 0.808 175.610 174.600 0.338 0.000 1.186 255 S CA -0.362 58.141 58.200 0.505 0.000 0.836 255 S CB 0.549 63.962 63.200 0.355 0.000 1.186 255 S HN 0.730 nan 8.310 nan 0.000 0.499 256 A N 1.637 124.547 122.820 0.152 0.000 1.927 256 A HA -0.231 4.089 4.320 0.001 0.000 0.220 256 A C 2.002 179.628 177.584 0.071 0.000 1.185 256 A CA 2.291 54.371 52.037 0.073 0.000 0.639 256 A CB -1.601 17.411 19.000 0.020 0.000 0.820 256 A HN 0.878 nan 8.150 nan 0.000 0.451 257 N N -0.727 118.023 118.700 0.083 0.000 2.149 257 N HA -0.157 4.583 4.740 0.001 0.000 0.188 257 N C 1.538 177.067 175.510 0.032 0.000 1.019 257 N CA 2.035 55.105 53.050 0.035 0.000 0.857 257 N CB -0.209 38.314 38.487 0.061 0.000 0.997 257 N HN 0.498 nan 8.380 nan 0.000 0.426 258 T N 0.426 115.049 114.554 0.115 0.000 2.788 258 T HA -0.053 4.297 4.350 0.001 0.000 0.268 258 T C 2.095 176.822 174.700 0.046 0.000 1.044 258 T CA 1.084 63.257 62.100 0.122 0.000 1.139 258 T CB -0.214 68.804 68.868 0.249 0.000 0.867 258 T HN 0.048 nan 8.240 nan 0.000 0.454 259 V N -0.355 119.568 119.914 0.015 0.000 2.323 259 V HA 0.146 4.266 4.120 0.001 0.000 0.244 259 V C 0.523 176.563 176.094 -0.090 0.000 1.041 259 V CA 0.987 63.213 62.300 -0.124 0.000 1.025 259 V CB -0.347 31.362 31.823 -0.191 0.000 0.656 259 V HN 0.474 nan 8.190 nan 0.000 0.451 260 F N 0.945 120.763 119.950 -0.220 0.000 2.605 260 F HA 0.403 4.930 4.527 0.001 0.000 0.320 260 F C 0.250 175.932 175.800 -0.196 0.000 1.159 260 F CA -1.819 56.025 58.000 -0.260 0.000 0.999 260 F CB 1.500 40.295 39.000 -0.342 0.000 1.258 260 F HN 0.176 nan 8.300 nan 0.000 0.464 261 D N 4.521 124.427 120.400 -0.825 0.000 2.348 261 D HA -0.038 4.602 4.640 0.001 0.000 0.216 261 D C 1.144 177.137 176.300 -0.512 0.000 0.970 261 D CA 1.156 54.841 54.000 -0.524 0.000 0.889 261 D CB -0.019 40.546 40.800 -0.392 0.000 0.912 261 D HN 0.664 nan 8.370 nan 0.000 0.524 262 L N -2.063 118.654 121.223 -0.843 0.000 4.759 262 L HA -0.230 4.110 4.340 0.001 0.000 0.419 262 L C -0.263 176.578 176.870 -0.047 0.000 1.093 262 L CA 0.396 55.077 54.840 -0.266 0.000 1.037 262 L CB -1.380 40.668 42.059 -0.018 0.000 2.095 262 L HN 0.233 nan 8.230 nan 0.000 0.739 263 Q N 0.888 120.557 119.800 -0.220 0.000 2.327 263 Q HA 0.268 4.608 4.340 0.001 0.000 0.254 263 Q C 0.355 176.423 176.000 0.114 0.000 0.952 263 Q CA -0.165 55.604 55.803 -0.055 0.000 0.884 263 Q CB 0.760 29.431 28.738 -0.111 0.000 1.224 263 Q HN 0.115 nan 8.270 nan 0.000 0.422 264 N N 1.767 120.520 118.700 0.088 0.000 2.441 264 N HA 0.105 4.845 4.740 0.001 0.000 0.251 264 N C -0.327 175.249 175.510 0.111 0.000 1.242 264 N CA 0.369 53.474 53.050 0.093 0.000 0.898 264 N CB 0.605 39.056 38.487 -0.061 0.000 1.100 264 N HN 0.254 nan 8.380 nan 0.000 0.443 265 R N 1.138 121.734 120.500 0.160 0.000 2.744 265 R HA 0.492 4.832 4.340 0.001 0.000 0.279 265 R C -2.458 173.916 176.300 0.124 0.000 0.977 265 R CA -1.602 54.589 56.100 0.152 0.000 0.906 265 R CB 1.990 32.420 30.300 0.218 0.000 1.197 265 R HN 0.406 nan 8.270 nan 0.000 0.463 266 P HA 0.077 nan 4.420 nan 0.000 0.271 266 P C -1.346 176.014 177.300 0.099 0.000 1.218 266 P CA -0.206 62.993 63.100 0.166 0.000 0.780 266 P CB 0.718 32.569 31.700 0.252 0.000 0.901 267 N N -0.925 117.819 118.700 0.074 0.000 2.902 267 N HA 0.241 4.981 4.740 0.001 0.000 0.268 267 N C 0.634 176.160 175.510 0.025 0.000 1.450 267 N CA -0.722 52.351 53.050 0.039 0.000 0.819 267 N CB -0.501 37.998 38.487 0.021 0.000 1.540 267 N HN 0.045 nan 8.380 nan 0.000 0.545 268 T N -0.626 113.934 114.554 0.010 0.000 2.720 268 T HA -0.100 4.250 4.350 0.001 0.000 0.268 268 T C 0.355 175.054 174.700 -0.002 0.000 1.037 268 T CA 1.665 63.766 62.100 0.002 0.000 1.144 268 T CB -0.498 68.368 68.868 -0.004 0.000 0.864 268 T HN 0.517 nan 8.240 nan 0.000 0.444 269 D N 1.151 121.547 120.400 -0.006 0.000 2.269 269 D HA 0.123 4.763 4.640 0.001 0.000 0.208 269 D C 0.862 177.162 176.300 -0.000 0.000 0.963 269 D CA 0.529 54.523 54.000 -0.010 0.000 0.864 269 D CB 0.077 40.862 40.800 -0.024 0.000 0.936 269 D HN 0.401 nan 8.370 nan 0.000 0.505 270 A N 0.753 123.582 122.820 0.016 0.000 3.266 270 A HA 0.402 4.722 4.320 0.001 0.000 0.310 270 A C -2.077 175.544 177.584 0.062 0.000 1.066 270 A CA -0.908 51.151 52.037 0.038 0.000 0.839 270 A CB 0.987 20.019 19.000 0.052 0.000 1.192 270 A HN -0.170 nan 8.150 nan 0.000 0.496 271 P HA -0.052 nan 4.420 nan 0.000 0.226 271 P C 0.659 177.968 177.300 0.013 0.000 1.153 271 P CA 1.276 64.389 63.100 0.021 0.000 0.777 271 P CB 0.352 32.035 31.700 -0.030 0.000 0.794 272 E N -1.062 119.158 120.200 0.033 0.000 2.603 272 E HA 0.109 4.459 4.350 0.001 0.000 0.211 272 E C 0.051 176.842 176.600 0.319 0.000 0.995 272 E CA -0.073 56.345 56.400 0.031 0.000 0.990 272 E CB 0.392 30.041 29.700 -0.085 0.000 1.036 272 E HN 0.395 nan 8.360 nan 0.000 0.475 273 E N 0.904 121.272 120.200 0.280 0.000 2.222 273 E HA 0.456 4.807 4.350 0.001 0.000 0.272 273 E C -0.364 176.384 176.600 0.248 0.000 0.982 273 E CA -0.599 55.948 56.400 0.245 0.000 0.842 273 E CB 1.580 31.387 29.700 0.179 0.000 1.144 273 E HN -0.092 nan 8.360 nan 0.000 0.397 274 R N 1.950 122.558 120.500 0.179 0.000 2.473 274 R HA 0.434 4.775 4.340 0.001 0.000 0.303 274 R C -1.539 174.885 176.300 0.206 0.000 1.002 274 R CA -0.563 55.600 56.100 0.105 0.000 0.884 274 R CB 1.061 31.315 30.300 -0.076 0.000 1.173 274 R HN 0.411 nan 8.270 nan 0.000 0.464 275 F N 2.307 122.273 119.950 0.027 0.000 2.604 275 F HA 0.450 4.978 4.527 0.001 0.000 0.316 275 F C -1.690 174.062 175.800 -0.079 0.000 1.136 275 F CA -0.670 57.331 58.000 0.001 0.000 0.989 275 F CB 1.953 41.021 39.000 0.113 0.000 1.258 275 F HN 0.386 nan 8.300 nan 0.000 0.451 276 N N 4.463 122.541 118.700 -1.036 0.000 2.238 276 N HA 0.664 5.404 4.740 0.001 0.000 0.302 276 N C -2.065 172.444 175.510 -1.668 0.000 1.072 276 N CA -0.676 51.672 53.050 -1.171 0.000 0.792 276 N CB 2.369 40.344 38.487 -0.854 0.000 1.425 276 N HN 0.593 nan 8.380 nan 0.000 0.478 277 L N 1.875 122.308 121.223 -1.317 0.000 2.322 277 L HA 0.669 5.009 4.340 0.001 0.000 0.281 277 L C -1.754 174.547 176.870 -0.949 0.000 1.014 277 L CA -0.397 53.906 54.840 -0.894 0.000 0.815 277 L CB 0.457 42.338 42.059 -0.297 0.000 1.247 277 L HN 0.487 nan 8.230 nan 0.000 0.421 278 F N 6.090 125.824 119.950 -0.360 0.000 2.552 278 F HA 0.543 5.070 4.527 0.000 0.000 0.369 278 F C -2.185 173.589 175.800 -0.044 0.000 1.112 278 F CA -1.918 55.970 58.000 -0.188 0.000 1.129 278 F CB 0.841 39.733 39.000 -0.182 0.000 1.360 278 F HN 0.398 nan 8.300 nan 0.000 0.473 279 P HA 0.297 nan 4.420 nan 0.000 0.276 279 P C 0.014 177.378 177.300 0.107 0.000 1.261 279 P CA -0.215 62.935 63.100 0.084 0.000 0.800 279 P CB 0.959 32.684 31.700 0.042 0.000 1.066 280 A N -1.020 121.843 122.820 0.072 0.000 2.745 280 A HA -0.107 4.213 4.320 0.001 0.000 0.296 280 A C -0.048 177.568 177.584 0.053 0.000 1.500 280 A CA 0.740 52.809 52.037 0.053 0.000 0.766 280 A CB -2.400 16.631 19.000 0.052 0.000 1.030 280 A HN 0.256 nan 8.150 nan 0.000 0.489 281 V N -0.067 119.893 119.914 0.077 0.000 2.380 281 V HA 0.634 4.754 4.120 0.001 0.000 0.286 281 V C 0.636 176.730 176.094 -0.001 0.000 1.015 281 V CA -0.317 62.025 62.300 0.069 0.000 0.834 281 V CB 1.383 33.334 31.823 0.213 0.000 1.009 281 V HN 1.459 nan 8.190 nan 0.000 0.428 282 A N 4.228 127.018 122.820 -0.050 0.000 2.396 282 A HA 0.390 4.710 4.320 0.001 0.000 0.279 282 A C 0.225 177.776 177.584 -0.056 0.000 1.165 282 A CA -0.108 51.882 52.037 -0.078 0.000 0.824 282 A CB -0.156 18.832 19.000 -0.020 0.000 1.100 282 A HN 0.859 nan 8.150 nan 0.000 0.516 283 C N 3.084 122.326 119.300 -0.097 0.000 2.394 283 C HA 0.300 4.760 4.460 0.001 0.000 0.362 283 C C 1.380 176.325 174.990 -0.074 0.000 1.268 283 C CA -0.244 58.708 59.018 -0.111 0.000 1.828 283 C CB -0.641 27.029 27.740 -0.117 0.000 2.442 283 C HN 1.002 nan 8.230 nan 0.000 0.549 284 E N 0.956 121.132 120.200 -0.041 0.000 2.330 284 E HA 0.117 4.468 4.350 0.001 0.000 0.200 284 E C 0.591 177.157 176.600 -0.057 0.000 0.922 284 E CA 0.253 56.633 56.400 -0.033 0.000 0.935 284 E CB 0.619 30.319 29.700 -0.001 0.000 0.917 284 E HN 0.604 nan 8.360 nan 0.000 0.491 285 R N 0.755 121.228 120.500 -0.045 0.000 2.633 285 R HA 0.161 4.502 4.340 0.001 0.000 0.256 285 R C -1.573 174.702 176.300 -0.041 0.000 1.131 285 R CA -0.394 55.659 56.100 -0.078 0.000 0.994 285 R CB 1.566 31.759 30.300 -0.179 0.000 1.261 285 R HN -0.026 nan 8.270 nan 0.000 0.446 286 V N 1.429 121.302 119.914 -0.068 0.000 2.539 286 V HA 0.668 4.789 4.120 0.001 0.000 0.292 286 V C -0.284 175.764 176.094 -0.077 0.000 1.045 286 V CA -0.646 61.591 62.300 -0.104 0.000 0.945 286 V CB 1.712 33.418 31.823 -0.194 0.000 0.993 286 V HN 0.401 nan 8.190 nan 0.000 0.464 287 V N 5.614 125.480 119.914 -0.080 0.000 2.333 287 V HA 0.445 4.566 4.120 0.001 0.000 0.274 287 V C 0.638 176.713 176.094 -0.031 0.000 1.028 287 V CA -0.493 61.784 62.300 -0.039 0.000 0.851 287 V CB 0.697 32.546 31.823 0.044 0.000 1.000 287 V HN 0.933 nan 8.190 nan 0.000 0.456 288 R N 3.895 124.388 120.500 -0.012 0.000 2.490 288 R HA 0.234 4.574 4.340 0.001 0.000 0.280 288 R C 0.549 176.877 176.300 0.047 0.000 1.077 288 R CA -0.470 55.669 56.100 0.066 0.000 1.065 288 R CB 0.587 30.893 30.300 0.010 0.000 1.003 288 R HN 0.873 nan 8.270 nan 0.000 0.470 289 N N 1.786 120.530 118.700 0.073 0.000 2.263 289 N HA -0.039 4.701 4.740 0.001 0.000 0.239 289 N C 0.516 176.016 175.510 -0.017 0.000 1.317 289 N CA 0.300 53.363 53.050 0.020 0.000 0.909 289 N CB 0.325 38.822 38.487 0.017 0.000 1.171 289 N HN 0.544 nan 8.380 nan 0.000 0.492 290 A N -0.794 122.008 122.820 -0.030 0.000 2.014 290 A HA -0.019 4.301 4.320 0.001 0.000 0.218 290 A C 1.875 179.418 177.584 -0.069 0.000 1.163 290 A CA 0.732 52.742 52.037 -0.044 0.000 0.652 290 A CB -0.595 18.385 19.000 -0.033 0.000 0.808 290 A HN 0.533 nan 8.150 nan 0.000 0.449 291 L N -0.532 120.638 121.223 -0.088 0.000 2.591 291 L HA 0.174 4.514 4.340 0.001 0.000 0.228 291 L C -0.029 176.712 176.870 -0.215 0.000 1.133 291 L CA 0.480 55.248 54.840 -0.121 0.000 0.880 291 L CB -0.751 41.244 42.059 -0.107 0.000 1.033 291 L HN 0.466 nan 8.230 nan 0.000 0.450 292 N N -0.403 118.143 118.700 -0.257 0.000 2.740 292 N HA -0.199 4.541 4.740 0.001 0.000 0.248 292 N C 0.886 175.653 175.510 -1.237 0.000 1.062 292 N CA 1.003 53.745 53.050 -0.512 0.000 0.704 292 N CB -1.567 36.754 38.487 -0.277 0.000 0.968 292 N HN 0.618 nan 8.380 nan 0.000 0.547 293 S N -2.311 112.912 115.700 -0.795 0.000 2.604 293 S HA 0.327 4.797 4.470 0.001 0.000 0.235 293 S C 0.273 174.711 174.600 -0.271 0.000 1.043 293 S CA -0.194 57.630 58.200 -0.626 0.000 0.997 293 S CB 1.523 64.570 63.200 -0.255 0.000 0.956 293 S HN 0.318 nan 8.310 nan 0.000 0.535 294 E N 0.415 120.605 120.200 -0.018 0.000 2.352 294 E HA 0.446 4.796 4.350 0.001 0.000 0.280 294 E C -1.515 175.292 176.600 0.345 0.000 0.930 294 E CA -0.769 55.789 56.400 0.262 0.000 0.765 294 E CB 1.493 31.286 29.700 0.154 0.000 1.219 294 E HN 0.112 nan 8.360 nan 0.000 0.434 295 I N 3.369 124.076 120.570 0.229 0.000 2.441 295 I HA 0.087 4.258 4.170 0.001 0.000 0.287 295 I C 0.941 176.997 176.117 -0.101 0.000 1.049 295 I CA 0.313 61.545 61.300 -0.113 0.000 1.381 295 I CB 0.940 38.597 38.000 -0.572 0.000 1.409 295 I HN 0.683 nan 8.210 nan 0.000 0.523 296 E N 3.448 123.599 120.200 -0.082 0.000 2.389 296 E HA 0.102 4.452 4.350 0.001 0.000 0.199 296 E C 0.135 176.795 176.600 0.100 0.000 0.978 296 E CA 0.372 56.803 56.400 0.051 0.000 0.912 296 E CB 0.671 30.405 29.700 0.057 0.000 0.907 296 E HN 0.748 nan 8.360 nan 0.000 0.494 297 S N -0.281 115.424 115.700 0.009 0.000 2.636 297 S HA 0.518 4.988 4.470 0.001 0.000 0.266 297 S C -1.433 173.209 174.600 0.070 0.000 1.147 297 S CA -1.039 57.243 58.200 0.137 0.000 0.815 297 S CB 1.467 64.725 63.200 0.096 0.000 1.119 297 S HN 0.024 nan 8.310 nan 0.000 0.470 298 L N 1.802 123.128 121.223 0.171 0.000 2.349 298 L HA 0.545 4.886 4.340 0.001 0.000 0.278 298 L C -0.895 175.983 176.870 0.014 0.000 0.996 298 L CA -0.179 54.723 54.840 0.104 0.000 0.825 298 L CB 1.126 43.265 42.059 0.134 0.000 1.243 298 L HN 0.882 nan 8.230 nan 0.000 0.412 299 H N 6.291 125.321 119.070 -0.067 0.000 2.646 299 H HA 0.463 5.019 4.556 0.001 0.000 0.325 299 H C -0.376 174.888 175.328 -0.107 0.000 1.075 299 H CA -0.001 56.007 56.048 -0.068 0.000 1.421 299 H CB 1.274 31.000 29.762 -0.060 0.000 1.461 299 H HN 0.702 nan 8.280 nan 0.000 0.525 300 I N -0.020 120.521 120.570 -0.048 0.000 2.785 300 I HA 0.376 4.547 4.170 0.001 0.000 0.302 300 I C -0.721 175.445 176.117 0.081 0.000 1.069 300 I CA -0.943 60.313 61.300 -0.073 0.000 1.045 300 I CB 3.003 40.823 38.000 -0.301 0.000 1.236 300 I HN 0.561 nan 8.210 nan 0.000 0.429 301 H N 3.623 122.677 119.070 -0.027 0.000 2.800 301 H HA 0.242 4.799 4.556 0.000 0.000 0.322 301 H C -1.451 173.909 175.328 0.052 0.000 0.979 301 H CA -0.709 55.340 56.048 0.003 0.000 1.277 301 H CB 1.479 31.243 29.762 0.004 0.000 1.484 301 H HN 0.791 nan 8.280 nan 0.000 0.512 302 D N 5.606 126.061 120.400 0.092 0.000 2.358 302 D HA -0.010 4.630 4.640 0.001 0.000 0.258 302 D C 1.119 177.309 176.300 -0.183 0.000 1.223 302 D CA -0.056 53.965 54.000 0.035 0.000 0.886 302 D CB 0.983 41.915 40.800 0.220 0.000 1.120 302 D HN 0.682 nan 8.370 nan 0.000 0.482 303 L N 4.120 125.226 121.223 -0.195 0.000 2.291 303 L HA -0.121 4.220 4.340 0.001 0.000 0.214 303 L C 1.844 178.665 176.870 -0.082 0.000 1.120 303 L CA 0.162 54.862 54.840 -0.232 0.000 0.799 303 L CB -0.099 41.904 42.059 -0.093 0.000 0.925 303 L HN 0.510 nan 8.230 nan 0.000 0.446 304 I N -0.388 120.173 120.570 -0.016 0.000 2.270 304 I HA -0.153 4.017 4.170 0.001 0.000 0.239 304 I C 2.777 178.914 176.117 0.033 0.000 1.080 304 I CA 1.714 63.026 61.300 0.021 0.000 1.383 304 I CB -1.321 36.704 38.000 0.042 0.000 1.097 304 I HN 0.254 nan 8.210 nan 0.000 0.420 305 S N 0.395 116.129 115.700 0.056 0.000 2.436 305 S HA 0.096 4.566 4.470 0.001 0.000 0.228 305 S C 1.842 176.480 174.600 0.063 0.000 1.014 305 S CA 0.894 59.136 58.200 0.070 0.000 0.950 305 S CB -0.073 63.195 63.200 0.114 0.000 0.784 305 S HN 0.631 nan 8.310 nan 0.000 0.504 306 G N 0.894 109.733 108.800 0.065 0.000 2.175 306 G HA2 -0.184 3.776 3.960 0.001 0.000 0.244 306 G HA3 -0.184 3.776 3.960 0.001 0.000 0.244 306 G C -0.418 174.578 174.900 0.160 0.000 0.982 306 G CA 0.134 45.317 45.100 0.138 0.000 0.641 306 G HN 0.562 nan 8.290 nan 0.000 0.527 307 D N 0.338 120.764 120.400 0.044 0.000 2.339 307 D HA 0.532 5.172 4.640 0.001 0.000 0.245 307 D C 0.845 176.976 176.300 -0.281 0.000 1.115 307 D CA 0.069 53.949 54.000 -0.200 0.000 0.917 307 D CB 0.670 41.242 40.800 -0.381 0.000 1.192 307 D HN 0.322 nan 8.370 nan 0.000 0.428 308 R N 1.092 121.301 120.500 -0.485 0.000 2.445 308 R HA 0.526 4.867 4.340 0.001 0.000 0.308 308 R C -0.721 175.184 176.300 -0.658 0.000 0.961 308 R CA -0.576 55.308 56.100 -0.360 0.000 0.862 308 R CB 0.992 31.175 30.300 -0.195 0.000 1.144 308 R HN 0.280 nan 8.270 nan 0.000 0.447 309 F N 0.063 119.966 119.950 -0.078 0.000 2.654 309 F HA 0.452 4.980 4.527 0.000 0.000 0.334 309 F C 0.214 175.872 175.800 -0.237 0.000 1.078 309 F CA -0.923 56.998 58.000 -0.132 0.000 0.986 309 F CB 1.657 40.584 39.000 -0.121 0.000 1.362 309 F HN 0.249 nan 8.300 nan 0.000 0.498 310 E N 1.293 121.471 120.200 -0.037 0.000 2.288 310 E HA 0.583 4.933 4.350 0.001 0.000 0.268 310 E C -1.452 175.115 176.600 -0.054 0.000 0.885 310 E CA -0.815 55.465 56.400 -0.201 0.000 0.767 310 E CB 2.876 32.380 29.700 -0.327 0.000 1.220 310 E HN 0.204 nan 8.360 nan 0.000 0.427 311 I N 2.282 122.836 120.570 -0.027 0.000 2.498 311 I HA 0.300 4.470 4.170 0.001 0.000 0.290 311 I C -0.297 175.907 176.117 0.144 0.000 1.032 311 I CA -0.983 60.356 61.300 0.065 0.000 1.073 311 I CB 1.528 39.568 38.000 0.067 0.000 1.251 311 I HN 0.382 nan 8.210 nan 0.000 0.426 312 K N 4.867 125.352 120.400 0.142 0.000 2.156 312 K HA 0.850 5.170 4.320 0.001 0.000 0.271 312 K C -1.012 175.648 176.600 0.101 0.000 0.995 312 K CA -0.243 56.139 56.287 0.160 0.000 0.890 312 K CB 1.615 34.175 32.500 0.100 0.000 1.073 312 K HN 0.797 nan 8.250 nan 0.000 0.454 313 A N 2.858 125.667 122.820 -0.019 0.000 2.569 313 A HA 0.425 4.745 4.320 0.001 0.000 0.290 313 A C -0.457 177.036 177.584 -0.152 0.000 1.136 313 A CA -0.662 51.246 52.037 -0.215 0.000 0.710 313 A CB 1.028 19.679 19.000 -0.581 0.000 1.303 313 A HN 0.754 nan 8.150 nan 0.000 0.413 314 D N -0.542 119.804 120.400 -0.090 0.000 2.162 314 D HA 0.118 4.758 4.640 0.001 0.000 0.203 314 D C 0.288 176.543 176.300 -0.075 0.000 0.967 314 D CA 1.633 55.651 54.000 0.029 0.000 0.840 314 D CB 0.196 41.063 40.800 0.111 0.000 0.972 314 D HN 0.209 nan 8.370 nan 0.000 0.482 315 V N 0.733 120.455 119.914 -0.320 0.000 2.638 315 V HA 0.280 4.400 4.120 0.001 0.000 0.306 315 V C -1.304 174.565 176.094 -0.376 0.000 1.052 315 V CA -0.886 61.223 62.300 -0.318 0.000 0.885 315 V CB 1.838 33.338 31.823 -0.537 0.000 0.999 315 V HN -0.066 nan 8.190 nan 0.000 0.424 316 Y N 2.913 123.190 120.300 -0.039 0.000 2.341 316 Y HA 0.695 5.246 4.550 0.000 0.000 0.338 316 Y C -0.098 175.757 175.900 -0.075 0.000 0.965 316 Y CA -0.994 57.069 58.100 -0.061 0.000 1.108 316 Y CB 2.066 40.486 38.460 -0.066 0.000 1.180 316 Y HN 0.347 nan 8.280 nan 0.000 0.458 317 V N 5.462 125.338 119.914 -0.064 0.000 2.448 317 V HA 0.419 4.539 4.120 0.001 0.000 0.295 317 V C -0.439 175.512 176.094 -0.239 0.000 1.025 317 V CA -0.925 61.221 62.300 -0.256 0.000 0.859 317 V CB 1.632 33.084 31.823 -0.618 0.000 0.988 317 V HN 0.588 nan 8.190 nan 0.000 0.431 318 L N 5.069 126.146 121.223 -0.242 0.000 2.276 318 L HA 0.557 4.898 4.340 0.001 0.000 0.286 318 L C 0.373 177.131 176.870 -0.186 0.000 1.024 318 L CA -0.220 54.502 54.840 -0.197 0.000 0.826 318 L CB 1.620 43.544 42.059 -0.225 0.000 1.211 318 L HN 0.804 nan 8.230 nan 0.000 0.422 319 T N -1.625 112.855 114.554 -0.123 0.000 3.516 319 T HA 0.371 4.721 4.350 0.001 0.000 0.245 319 T C 0.675 175.376 174.700 0.003 0.000 1.077 319 T CA -0.130 61.942 62.100 -0.047 0.000 1.222 319 T CB 0.979 69.821 68.868 -0.043 0.000 1.045 319 T HN 0.539 nan 8.240 nan 0.000 0.585 320 A N 0.794 123.624 122.820 0.017 0.000 2.379 320 A HA 0.770 5.090 4.320 0.001 0.000 0.236 320 A C 1.371 179.027 177.584 0.120 0.000 1.272 320 A CA 0.053 52.121 52.037 0.052 0.000 0.886 320 A CB -0.773 18.250 19.000 0.038 0.000 0.962 320 A HN 1.664 nan 8.150 nan 0.000 0.504 321 G N -2.457 106.413 108.800 0.116 0.000 2.699 321 G HA2 0.254 4.214 3.960 0.001 0.000 0.686 321 G HA3 0.254 4.214 3.960 0.001 0.000 0.686 321 G C 0.773 175.768 174.900 0.159 0.000 1.301 321 G CA -0.303 44.877 45.100 0.134 0.000 0.816 321 G HN 1.292 nan 8.290 nan 0.000 0.595 322 A N -0.402 122.499 122.820 0.134 0.000 1.933 322 A HA 0.186 4.507 4.320 0.001 0.000 0.218 322 A C 2.659 180.316 177.584 0.122 0.000 1.175 322 A CA 3.283 55.392 52.037 0.119 0.000 0.628 322 A CB -0.385 18.667 19.000 0.086 0.000 0.814 322 A HN 1.601 nan 8.150 nan 0.000 0.444 323 V N -1.016 118.931 119.914 0.054 0.000 2.302 323 V HA -0.194 3.927 4.120 0.001 0.000 0.243 323 V C 2.235 178.306 176.094 -0.039 0.000 1.036 323 V CA 2.181 64.462 62.300 -0.031 0.000 1.020 323 V CB -1.018 30.669 31.823 -0.228 0.000 0.657 323 V HN 0.734 nan 8.190 nan 0.000 0.453 324 H N -0.254 118.887 119.070 0.118 0.000 2.470 324 H HA -0.011 4.545 4.556 0.001 0.000 0.289 324 H C 2.288 177.607 175.328 -0.014 0.000 1.033 324 H CA 0.919 56.992 56.048 0.041 0.000 1.331 324 H CB 0.066 29.833 29.762 0.009 0.000 1.414 324 H HN 0.319 nan 8.280 nan 0.000 0.545 325 N N 0.014 118.783 118.700 0.115 0.000 2.061 325 N HA -0.140 4.600 4.740 0.001 0.000 0.193 325 N C 1.783 177.269 175.510 -0.040 0.000 1.030 325 N CA 1.961 55.012 53.050 0.001 0.000 0.856 325 N CB -0.612 37.875 38.487 0.000 0.000 1.023 325 N HN 0.342 nan 8.380 nan 0.000 0.424 326 T N 0.833 115.440 114.554 0.088 0.000 2.720 326 T HA -0.187 4.163 4.350 0.001 0.000 0.268 326 T C 1.852 176.404 174.700 -0.247 0.000 1.037 326 T CA 1.227 63.375 62.100 0.080 0.000 1.144 326 T CB -0.243 68.825 68.868 0.333 0.000 0.864 326 T HN 0.365 nan 8.240 nan 0.000 0.444 327 Q N 0.132 119.680 119.800 -0.420 0.000 2.050 327 Q HA -0.099 4.241 4.340 0.001 0.000 0.202 327 Q C 2.332 178.041 176.000 -0.484 0.000 0.980 327 Q CA 1.092 56.315 55.803 -0.967 0.000 0.840 327 Q CB -0.236 28.270 28.738 -0.387 0.000 0.898 327 Q HN 0.381 nan 8.270 nan 0.000 0.424 328 L N 0.671 121.746 121.223 -0.246 0.000 2.083 328 L HA -0.144 4.197 4.340 0.001 0.000 0.209 328 L C 1.975 178.729 176.870 -0.194 0.000 1.083 328 L CA 1.542 56.272 54.840 -0.183 0.000 0.752 328 L CB -0.559 41.416 42.059 -0.139 0.000 0.899 328 L HN 0.290 nan 8.230 nan 0.000 0.433 329 L N -1.833 119.242 121.223 -0.246 0.000 2.027 329 L HA -0.189 4.151 4.340 0.001 0.000 0.206 329 L C 2.426 179.288 176.870 -0.014 0.000 1.074 329 L CA 1.078 55.763 54.840 -0.257 0.000 0.745 329 L CB -0.651 41.132 42.059 -0.461 0.000 0.898 329 L HN 0.067 nan 8.230 nan 0.000 0.433 330 V N -0.027 119.823 119.914 -0.108 0.000 2.490 330 V HA -0.267 3.853 4.120 0.001 0.000 0.250 330 V C 2.077 178.143 176.094 -0.046 0.000 1.061 330 V CA 1.923 64.201 62.300 -0.037 0.000 1.064 330 V CB -0.734 31.032 31.823 -0.096 0.000 0.670 330 V HN 0.485 nan 8.190 nan 0.000 0.461 331 N N 0.044 118.669 118.700 -0.125 0.000 2.512 331 N HA -0.087 4.653 4.740 0.001 0.000 0.183 331 N C 1.454 176.935 175.510 -0.048 0.000 1.073 331 N CA 1.036 54.035 53.050 -0.086 0.000 0.911 331 N CB -0.023 38.397 38.487 -0.113 0.000 0.964 331 N HN 0.407 nan 8.380 nan 0.000 0.447 332 S N -1.451 114.253 115.700 0.007 0.000 2.572 332 S HA 0.346 4.817 4.470 0.001 0.000 0.228 332 S C 1.067 175.695 174.600 0.045 0.000 0.963 332 S CA 0.171 58.393 58.200 0.037 0.000 0.939 332 S CB 0.547 63.819 63.200 0.121 0.000 0.804 332 S HN 0.510 nan 8.310 nan 0.000 0.480 333 G N 1.149 109.974 108.800 0.043 0.000 2.175 333 G HA2 -0.240 3.720 3.960 0.001 0.000 0.244 333 G HA3 -0.240 3.720 3.960 0.001 0.000 0.244 333 G C -0.039 174.834 174.900 -0.046 0.000 0.982 333 G CA -0.472 44.611 45.100 -0.029 0.000 0.641 333 G HN 0.413 nan 8.290 nan 0.000 0.527 334 F N 0.840 120.771 119.950 -0.031 0.000 2.403 334 F HA 0.525 5.052 4.527 0.000 0.000 0.320 334 F C 1.834 177.653 175.800 0.031 0.000 1.176 334 F CA 1.063 59.064 58.000 0.001 0.000 1.206 334 F CB 0.284 39.266 39.000 -0.030 0.000 1.235 334 F HN 0.709 nan 8.300 nan 0.000 0.565 335 G N 1.677 110.629 108.800 0.254 0.000 2.652 335 G HA2 -0.231 3.729 3.960 0.001 0.000 0.318 335 G HA3 -0.231 3.729 3.960 0.001 0.000 0.318 335 G C -0.663 174.317 174.900 0.133 0.000 1.295 335 G CA 0.672 45.883 45.100 0.185 0.000 0.999 335 G HN 1.033 nan 8.290 nan 0.000 0.548 336 Q N -1.699 118.186 119.800 0.142 0.000 2.435 336 Q HA 0.753 5.094 4.340 0.001 0.000 0.282 336 Q C -0.872 175.220 176.000 0.155 0.000 1.020 336 Q CA -1.158 54.711 55.803 0.110 0.000 0.820 336 Q CB 1.603 30.381 28.738 0.067 0.000 1.436 336 Q HN 0.674 nan 8.270 nan 0.000 0.395 337 L N 1.440 122.743 121.223 0.134 0.000 2.395 337 L HA 0.761 5.101 4.340 0.001 0.000 0.269 337 L C 0.666 177.632 176.870 0.160 0.000 1.133 337 L CA 0.784 55.734 54.840 0.182 0.000 0.812 337 L CB 1.062 43.202 42.059 0.135 0.000 1.125 337 L HN 1.074 nan 8.230 nan 0.000 0.452 338 G N 1.809 110.761 108.800 0.253 0.000 2.712 338 G HA2 -0.202 3.758 3.960 0.001 0.000 0.683 338 G HA3 -0.202 3.758 3.960 0.001 0.000 0.683 338 G C -0.637 174.165 174.900 -0.163 0.000 1.320 338 G CA -0.798 44.397 45.100 0.159 0.000 0.847 338 G HN 0.690 nan 8.290 nan 0.000 0.553 339 R N 1.154 121.335 120.500 -0.532 0.000 2.502 339 R HA 0.337 4.678 4.340 0.001 0.000 0.292 339 R C -1.596 174.293 176.300 -0.686 0.000 0.998 339 R CA -0.358 55.019 56.100 -1.205 0.000 1.056 339 R CB 0.224 30.098 30.300 -0.710 0.000 0.939 339 R HN 0.446 nan 8.270 nan 0.000 0.411 340 P HA 0.061 nan 4.420 nan 0.000 0.275 340 P C -1.387 175.763 177.300 -0.250 0.000 1.228 340 P CA -0.218 62.673 63.100 -0.347 0.000 0.786 340 P CB 0.697 32.235 31.700 -0.269 0.000 0.927 341 N N 2.660 121.269 118.700 -0.152 0.000 2.407 341 N HA 0.238 4.978 4.740 0.001 0.000 0.277 341 N C -1.432 174.033 175.510 -0.074 0.000 0.995 341 N CA -2.076 50.909 53.050 -0.109 0.000 0.903 341 N CB 1.443 39.879 38.487 -0.084 0.000 1.218 341 N HN 0.188 nan 8.380 nan 0.000 0.487 342 P HA -0.167 nan 4.420 nan 0.000 0.218 342 P C 0.948 178.229 177.300 -0.032 0.000 1.148 342 P CA 0.873 63.945 63.100 -0.046 0.000 0.822 342 P CB 0.191 31.864 31.700 -0.045 0.000 0.784 343 A N 0.436 123.236 122.820 -0.033 0.000 1.859 343 A HA -0.195 4.125 4.320 0.001 0.000 0.217 343 A C 1.707 179.278 177.584 -0.021 0.000 1.198 343 A CA 1.451 53.474 52.037 -0.025 0.000 0.629 343 A CB -1.351 17.633 19.000 -0.027 0.000 0.830 343 A HN 0.257 nan 8.150 nan 0.000 0.446 344 N N 0.774 119.458 118.700 -0.026 0.000 2.955 344 N HA 0.285 5.025 4.740 0.001 0.000 0.242 344 N C -3.023 172.478 175.510 -0.015 0.000 1.123 344 N CA -1.464 51.575 53.050 -0.020 0.000 0.949 344 N CB 0.835 39.308 38.487 -0.023 0.000 1.214 344 N HN 0.183 nan 8.380 nan 0.000 0.504 345 P HA 0.333 nan 4.420 nan 0.000 0.277 345 P C -2.649 174.662 177.300 0.018 0.000 1.240 345 P CA -1.244 61.860 63.100 0.007 0.000 0.798 345 P CB 0.071 31.780 31.700 0.016 0.000 0.979 346 P HA 0.072 nan 4.420 nan 0.000 0.265 346 P C 0.651 177.978 177.300 0.044 0.000 1.193 346 P CA 0.348 63.476 63.100 0.045 0.000 0.765 346 P CB 0.505 32.252 31.700 0.077 0.000 0.823 347 E N 0.703 120.922 120.200 0.031 0.000 2.230 347 E HA -0.028 4.322 4.350 0.001 0.000 0.192 347 E C 0.228 176.851 176.600 0.039 0.000 0.987 347 E CA 0.340 56.755 56.400 0.025 0.000 0.841 347 E CB 0.118 29.822 29.700 0.006 0.000 0.783 347 E HN 0.181 nan 8.360 nan 0.000 0.481 348 L N 0.938 122.190 121.223 0.048 0.000 2.287 348 L HA 0.216 4.556 4.340 0.001 0.000 0.287 348 L C -0.334 176.639 176.870 0.171 0.000 1.022 348 L CA -0.190 54.695 54.840 0.075 0.000 0.814 348 L CB 0.812 42.855 42.059 -0.028 0.000 1.217 348 L HN 0.056 nan 8.230 nan 0.000 0.420 349 L N 7.327 128.685 121.223 0.224 0.000 3.823 349 L HA -0.179 4.162 4.340 0.001 0.000 0.525 349 L C -1.296 175.694 176.870 0.201 0.000 1.247 349 L CA -0.183 54.810 54.840 0.254 0.000 0.776 349 L CB -0.672 41.594 42.059 0.345 0.000 1.443 349 L HN 0.620 nan 8.230 nan 0.000 0.831 350 P HA -0.130 nan 4.420 nan 0.000 0.221 350 P C 1.261 178.664 177.300 0.172 0.000 1.145 350 P CA 1.122 64.304 63.100 0.137 0.000 0.795 350 P CB 0.293 32.056 31.700 0.105 0.000 0.775 351 S N -0.717 115.107 115.700 0.206 0.000 2.558 351 S HA 0.057 4.527 4.470 0.001 0.000 0.217 351 S C 0.844 175.610 174.600 0.276 0.000 0.975 351 S CA -0.402 57.963 58.200 0.276 0.000 0.912 351 S CB -0.695 62.666 63.200 0.267 0.000 0.776 351 S HN 0.066 nan 8.310 nan 0.000 0.526 352 L N 2.273 123.639 121.223 0.237 0.000 2.559 352 L HA 0.385 4.725 4.340 0.001 0.000 0.274 352 L C 1.192 178.205 176.870 0.239 0.000 1.205 352 L CA 1.164 56.143 54.840 0.233 0.000 0.907 352 L CB -0.354 41.832 42.059 0.212 0.000 1.153 352 L HN 0.334 nan 8.230 nan 0.000 0.490 353 G N 2.417 111.365 108.800 0.247 0.000 2.184 353 G HA2 -0.277 3.683 3.960 0.001 0.000 0.264 353 G HA3 -0.277 3.683 3.960 0.001 0.000 0.264 353 G C 0.473 175.495 174.900 0.203 0.000 0.975 353 G CA 0.389 45.631 45.100 0.236 0.000 0.642 353 G HN 0.831 nan 8.290 nan 0.000 0.536 354 S N -1.468 114.358 115.700 0.210 0.000 2.718 354 S HA 0.637 5.107 4.470 0.001 0.000 0.300 354 S C 0.399 175.150 174.600 0.252 0.000 1.117 354 S CA 0.100 58.368 58.200 0.114 0.000 1.002 354 S CB 0.821 64.005 63.200 -0.026 0.000 1.092 354 S HN 0.915 nan 8.310 nan 0.000 0.542 355 Y N -0.956 119.414 120.300 0.116 0.000 4.177 355 Y HA -0.208 4.342 4.550 0.000 0.000 0.227 355 Y C 0.516 176.503 175.900 0.144 0.000 1.154 355 Y CA 0.207 58.375 58.100 0.114 0.000 1.887 355 Y CB -2.182 36.342 38.460 0.107 0.000 1.594 355 Y HN 0.611 nan 8.280 nan 0.000 0.668 356 I N -0.022 120.707 120.570 0.265 0.000 2.754 356 I HA 0.478 4.648 4.170 0.001 0.000 0.285 356 I C 0.650 176.953 176.117 0.309 0.000 1.166 356 I CA 0.479 61.941 61.300 0.270 0.000 1.417 356 I CB 1.296 39.459 38.000 0.270 0.000 1.382 356 I HN 0.208 nan 8.210 nan 0.000 0.588 357 T N 1.869 116.571 114.554 0.247 0.000 2.893 357 T HA 0.688 5.038 4.350 0.001 0.000 0.293 357 T C -0.706 174.048 174.700 0.091 0.000 1.027 357 T CA -0.690 61.542 62.100 0.221 0.000 0.988 357 T CB 2.053 70.998 68.868 0.128 0.000 1.043 357 T HN 0.841 nan 8.240 nan 0.000 0.461 358 E N 1.168 121.399 120.200 0.052 0.000 2.356 358 E HA 0.371 4.722 4.350 0.001 0.000 0.275 358 E C -1.125 175.585 176.600 0.182 0.000 0.904 358 E CA -0.571 55.809 56.400 -0.034 0.000 0.757 358 E CB 2.080 31.545 29.700 -0.392 0.000 1.232 358 E HN 0.721 nan 8.360 nan 0.000 0.442 359 Q N 0.999 120.911 119.800 0.187 0.000 2.299 359 Q HA 0.481 4.821 4.340 0.001 0.000 0.246 359 Q C -0.472 175.714 176.000 0.309 0.000 0.935 359 Q CA -0.480 55.481 55.803 0.263 0.000 0.887 359 Q CB 1.301 30.221 28.738 0.305 0.000 1.223 359 Q HN 0.451 nan 8.270 nan 0.000 0.439 360 S N 1.543 117.363 115.700 0.200 0.000 2.565 360 S HA 0.387 4.857 4.470 0.001 0.000 0.276 360 S C -0.755 173.882 174.600 0.062 0.000 1.326 360 S CA -0.531 57.666 58.200 -0.004 0.000 1.045 360 S CB 0.438 63.542 63.200 -0.159 0.000 0.918 360 S HN 0.380 nan 8.310 nan 0.000 0.505 361 L N 4.656 125.880 121.223 0.001 0.000 2.409 361 L HA 0.720 5.060 4.340 0.001 0.000 0.272 361 L C -0.799 175.919 176.870 -0.252 0.000 0.980 361 L CA -0.663 54.082 54.840 -0.158 0.000 0.826 361 L CB 1.620 43.563 42.059 -0.193 0.000 1.268 361 L HN 0.483 nan 8.230 nan 0.000 0.407 362 V N 1.934 121.624 119.914 -0.373 0.000 2.769 362 V HA 0.757 4.878 4.120 0.001 0.000 0.312 362 V C -0.951 175.007 176.094 -0.226 0.000 1.058 362 V CA -0.711 61.293 62.300 -0.495 0.000 0.952 362 V CB 1.695 33.051 31.823 -0.779 0.000 1.019 362 V HN 0.822 nan 8.190 nan 0.000 0.445 363 F N 3.921 123.660 119.950 -0.352 0.000 2.608 363 F HA 0.846 5.373 4.527 0.001 0.000 0.309 363 F C -0.402 175.272 175.800 -0.209 0.000 1.103 363 F CA -0.220 57.653 58.000 -0.211 0.000 0.954 363 F CB 1.511 40.424 39.000 -0.146 0.000 1.267 363 F HN 1.205 nan 8.300 nan 0.000 0.444 364 C N 2.798 121.472 119.300 -1.044 0.000 3.332 364 C HA 0.821 5.282 4.460 0.001 0.000 0.329 364 C C -1.643 172.781 174.990 -0.944 0.000 1.434 364 C CA -0.644 57.764 59.018 -1.016 0.000 1.314 364 C CB 1.725 29.113 27.740 -0.587 0.000 1.664 364 C HN 0.962 nan 8.230 nan 0.000 0.457 365 Q N 0.511 120.010 119.800 -0.501 0.000 2.387 365 Q HA 0.757 5.097 4.340 0.001 0.000 0.273 365 Q C -0.548 175.465 176.000 0.021 0.000 1.089 365 Q CA -0.229 55.487 55.803 -0.145 0.000 0.824 365 Q CB 2.698 31.331 28.738 -0.175 0.000 1.367 365 Q HN 0.942 nan 8.270 nan 0.000 0.443 366 T N -2.541 112.097 114.554 0.140 0.000 2.924 366 T HA 0.696 5.046 4.350 0.001 0.000 0.291 366 T C -0.509 174.235 174.700 0.073 0.000 1.045 366 T CA -0.720 61.434 62.100 0.089 0.000 1.015 366 T CB 1.218 70.143 68.868 0.095 0.000 1.103 366 T HN 0.257 nan 8.240 nan 0.000 0.496 367 V N 2.844 122.770 119.914 0.021 0.000 2.370 367 V HA 0.402 4.522 4.120 0.001 0.000 0.283 367 V C 0.368 176.465 176.094 0.004 0.000 1.023 367 V CA -0.924 61.382 62.300 0.010 0.000 0.857 367 V CB 1.090 32.909 31.823 -0.007 0.000 0.985 367 V HN 1.025 nan 8.190 nan 0.000 0.443 368 M N 4.781 124.393 119.600 0.019 0.000 2.250 368 M HA 0.127 4.607 4.480 0.001 0.000 0.337 368 M C 0.850 177.149 176.300 -0.000 0.000 1.161 368 M CA 0.732 56.045 55.300 0.022 0.000 1.088 368 M CB 0.682 33.297 32.600 0.025 0.000 1.639 368 M HN 0.934 nan 8.290 nan 0.000 0.447 369 S N 2.297 117.994 115.700 -0.005 0.000 2.593 369 S HA 0.153 4.623 4.470 0.001 0.000 0.269 369 S C 0.961 175.557 174.600 -0.008 0.000 1.334 369 S CA -0.232 57.956 58.200 -0.020 0.000 1.015 369 S CB 0.716 63.898 63.200 -0.029 0.000 0.912 369 S HN 0.791 nan 8.310 nan 0.000 0.541 370 T N 0.972 115.518 114.554 -0.013 0.000 2.759 370 T HA -0.158 4.193 4.350 0.001 0.000 0.269 370 T C 1.680 176.382 174.700 0.002 0.000 1.042 370 T CA 1.759 63.856 62.100 -0.005 0.000 1.140 370 T CB -0.523 68.339 68.868 -0.009 0.000 0.864 370 T HN 0.877 nan 8.240 nan 0.000 0.455 371 E N 0.793 120.990 120.200 -0.005 0.000 2.077 371 E HA -0.113 4.238 4.350 0.001 0.000 0.193 371 E C 2.133 178.742 176.600 0.016 0.000 0.989 371 E CA 0.917 57.316 56.400 -0.001 0.000 0.800 371 E CB -0.226 29.466 29.700 -0.015 0.000 0.746 371 E HN 0.458 nan 8.360 nan 0.000 0.452 372 L N 0.598 121.833 121.223 0.020 0.000 2.109 372 L HA -0.123 4.217 4.340 0.001 0.000 0.207 372 L C 2.582 179.488 176.870 0.059 0.000 1.086 372 L CA 0.296 55.162 54.840 0.044 0.000 0.760 372 L CB -0.265 41.820 42.059 0.043 0.000 0.910 372 L HN 0.255 nan 8.230 nan 0.000 0.437 373 I N 0.098 120.691 120.570 0.038 0.000 2.179 373 I HA -0.264 3.906 4.170 0.001 0.000 0.242 373 I C 2.101 178.246 176.117 0.047 0.000 1.088 373 I CA 1.467 62.788 61.300 0.034 0.000 1.357 373 I CB -1.111 36.898 38.000 0.014 0.000 1.051 373 I HN 0.255 nan 8.210 nan 0.000 0.409 374 D N 0.832 121.257 120.400 0.043 0.000 2.149 374 D HA -0.147 4.494 4.640 0.001 0.000 0.198 374 D C 2.377 178.722 176.300 0.075 0.000 0.990 374 D CA 1.678 55.708 54.000 0.049 0.000 0.839 374 D CB -0.137 40.682 40.800 0.033 0.000 0.948 374 D HN 0.383 nan 8.370 nan 0.000 0.460 375 S N -0.134 115.619 115.700 0.088 0.000 2.423 375 S HA -0.110 4.360 4.470 0.001 0.000 0.231 375 S C 2.170 176.922 174.600 0.253 0.000 1.014 375 S CA 0.700 58.978 58.200 0.130 0.000 0.965 375 S CB -0.558 62.700 63.200 0.096 0.000 0.785 375 S HN 0.095 nan 8.310 nan 0.000 0.495 376 V N 3.112 123.159 119.914 0.221 0.000 2.380 376 V HA -0.199 3.921 4.120 0.001 0.000 0.251 376 V C 2.248 178.452 176.094 0.184 0.000 1.063 376 V CA 2.246 64.701 62.300 0.258 0.000 1.055 376 V CB -0.839 31.047 31.823 0.105 0.000 0.657 376 V HN 0.825 nan 8.190 nan 0.000 0.455 377 K N 0.208 120.690 120.400 0.136 0.000 2.440 377 K HA 0.181 4.501 4.320 0.001 0.000 0.206 377 K C 1.632 178.299 176.600 0.111 0.000 1.025 377 K CA 0.692 57.039 56.287 0.100 0.000 1.135 377 K CB 0.178 32.720 32.500 0.070 0.000 0.856 377 K HN 0.426 nan 8.250 nan 0.000 0.502 378 S N 0.906 116.700 115.700 0.158 0.000 2.442 378 S HA -0.157 4.313 4.470 0.001 0.000 0.236 378 S C 0.999 175.642 174.600 0.072 0.000 1.007 378 S CA 1.219 59.478 58.200 0.098 0.000 0.965 378 S CB -0.226 63.016 63.200 0.069 0.000 0.773 378 S HN 0.278 nan 8.310 nan 0.000 0.504 379 D N 0.664 121.129 120.400 0.108 0.000 2.339 379 D HA 0.217 4.858 4.640 0.001 0.000 0.217 379 D C 0.148 176.510 176.300 0.103 0.000 1.050 379 D CA 0.298 54.349 54.000 0.084 0.000 0.856 379 D CB 0.014 40.871 40.800 0.095 0.000 0.922 379 D HN 0.378 nan 8.370 nan 0.000 0.518 380 M N 0.553 120.208 119.600 0.091 0.000 2.249 380 M HA 0.210 4.690 4.480 0.001 0.000 0.351 380 M C 0.269 176.600 176.300 0.053 0.000 1.180 380 M CA -0.065 55.289 55.300 0.089 0.000 1.127 380 M CB 1.037 33.676 32.600 0.066 0.000 1.546 380 M HN -0.339 nan 8.290 nan 0.000 0.461 381 T N 4.581 119.159 114.554 0.039 0.000 2.743 381 T HA 0.647 4.998 4.350 0.001 0.000 0.293 381 T C 0.145 174.828 174.700 -0.029 0.000 0.945 381 T CA -0.271 61.833 62.100 0.005 0.000 1.030 381 T CB 0.367 69.233 68.868 -0.003 0.000 0.912 381 T HN 0.433 nan 8.240 nan 0.000 0.483 382 I N 4.098 124.650 120.570 -0.030 0.000 2.410 382 I HA 0.469 4.639 4.170 0.001 0.000 0.286 382 I C 0.125 176.215 176.117 -0.046 0.000 1.009 382 I CA -0.753 60.506 61.300 -0.067 0.000 1.111 382 I CB 1.528 39.529 38.000 0.002 0.000 1.262 382 I HN 0.338 nan 8.210 nan 0.000 0.443 383 R N 3.906 124.343 120.500 -0.105 0.000 2.686 383 R HA 0.777 5.118 4.340 0.001 0.000 0.283 383 R C -0.030 176.288 176.300 0.029 0.000 0.978 383 R CA -0.631 55.450 56.100 -0.030 0.000 0.897 383 R CB 2.301 32.576 30.300 -0.042 0.000 1.192 383 R HN 0.858 nan 8.270 nan 0.000 0.457 384 G N 0.831 109.695 108.800 0.107 0.000 2.698 384 G HA2 -0.233 3.727 3.960 0.001 0.000 0.225 384 G HA3 -0.233 3.727 3.960 0.001 0.000 0.225 384 G C -0.867 174.199 174.900 0.276 0.000 1.345 384 G CA -0.736 44.473 45.100 0.182 0.000 0.871 384 G HN 0.504 nan 8.290 nan 0.000 0.540 385 T N 3.156 117.829 114.554 0.200 0.000 2.823 385 T HA 0.639 4.989 4.350 0.001 0.000 0.279 385 T C -2.420 172.149 174.700 -0.218 0.000 0.998 385 T CA -0.628 61.494 62.100 0.036 0.000 0.994 385 T CB 1.916 70.784 68.868 -0.000 0.000 0.960 385 T HN 0.498 nan 8.240 nan 0.000 0.448 386 P HA 0.184 nan 4.420 nan 0.000 0.262 386 P C 1.010 178.050 177.300 -0.433 0.000 1.182 386 P CA 1.017 63.513 63.100 -1.007 0.000 0.761 386 P CB 0.253 31.553 31.700 -0.666 0.000 0.795 387 G N 1.407 110.007 108.800 -0.332 0.000 2.195 387 G HA2 -0.206 3.754 3.960 0.001 0.000 0.246 387 G HA3 -0.206 3.754 3.960 0.001 0.000 0.246 387 G C 0.211 175.077 174.900 -0.057 0.000 0.984 387 G CA -0.182 44.839 45.100 -0.133 0.000 0.633 387 G HN 0.502 nan 8.290 nan 0.000 0.525 388 E N -0.363 119.815 120.200 -0.037 0.000 2.250 388 E HA 0.704 5.054 4.350 0.001 0.000 0.265 388 E C 1.804 178.439 176.600 0.059 0.000 1.033 388 E CA -0.709 55.699 56.400 0.015 0.000 0.888 388 E CB 0.686 30.398 29.700 0.021 0.000 1.151 388 E HN 0.090 nan 8.360 nan 0.000 0.412 389 L N 0.313 121.564 121.223 0.046 0.000 2.127 389 L HA -0.166 4.175 4.340 0.001 0.000 0.211 389 L C 1.793 178.701 176.870 0.065 0.000 1.089 389 L CA 1.819 56.688 54.840 0.048 0.000 0.757 389 L CB -0.639 41.438 42.059 0.030 0.000 0.899 389 L HN 0.607 nan 8.230 nan 0.000 0.434 390 T N -4.954 109.647 114.554 0.078 0.000 3.086 390 T HA -0.050 4.300 4.350 0.001 0.000 0.250 390 T C 0.513 175.274 174.700 0.102 0.000 1.074 390 T CA -0.348 61.794 62.100 0.070 0.000 0.988 390 T CB -0.353 68.547 68.868 0.054 0.000 0.988 390 T HN 0.089 nan 8.240 nan 0.000 0.530 391 Y N 4.013 124.313 120.300 0.001 0.000 2.632 391 Y HA 0.379 4.929 4.550 0.001 0.000 0.329 391 Y C 0.331 176.233 175.900 0.004 0.000 1.174 391 Y CA -0.346 57.755 58.100 0.002 0.000 1.469 391 Y CB 0.178 38.639 38.460 0.000 0.000 1.242 391 Y HN 0.396 nan 8.280 nan 0.000 0.540 392 S N 4.571 119.918 115.700 -0.588 0.000 2.564 392 S HA 0.819 5.289 4.470 0.001 0.000 0.274 392 S C -1.880 172.375 174.600 -0.574 0.000 1.124 392 S CA -0.932 56.971 58.200 -0.494 0.000 0.869 392 S CB 1.571 64.648 63.200 -0.205 0.000 1.105 392 S HN 0.461 nan 8.310 nan 0.000 0.472 393 V N 2.481 122.179 119.914 -0.359 0.000 2.482 393 V HA 0.768 4.889 4.120 0.001 0.000 0.295 393 V C -0.144 175.920 176.094 -0.049 0.000 1.026 393 V CA -0.188 61.998 62.300 -0.190 0.000 0.856 393 V CB 1.134 32.881 31.823 -0.127 0.000 1.001 393 V HN 1.210 nan 8.190 nan 0.000 0.424 394 T N 1.605 116.157 114.554 -0.003 0.000 2.903 394 T HA 0.870 5.220 4.350 0.001 0.000 0.299 394 T C -1.008 173.780 174.700 0.146 0.000 1.093 394 T CA -0.740 61.390 62.100 0.051 0.000 1.002 394 T CB 2.390 71.243 68.868 -0.025 0.000 1.127 394 T HN 0.807 nan 8.240 nan 0.000 0.488 395 Y N -1.420 118.875 120.300 -0.008 0.000 2.638 395 Y HA 0.801 5.352 4.550 0.001 0.000 0.339 395 Y C -0.788 175.112 175.900 -0.000 0.000 1.084 395 Y CA -1.431 56.670 58.100 0.001 0.000 1.068 395 Y CB 0.882 39.353 38.460 0.018 0.000 1.294 395 Y HN 0.633 nan 8.280 nan 0.000 0.480 396 T N 4.417 118.930 114.554 -0.068 0.000 2.781 396 T HA 0.396 4.747 4.350 0.001 0.000 0.305 396 T C -2.737 171.905 174.700 -0.097 0.000 1.001 396 T CA -1.281 60.725 62.100 -0.157 0.000 0.950 396 T CB 0.633 69.471 68.868 -0.050 0.000 0.955 396 T HN 0.388 nan 8.240 nan 0.000 0.471 397 P HA 0.165 nan 4.420 nan 0.000 0.265 397 P C 1.189 178.515 177.300 0.044 0.000 1.187 397 P CA 0.831 63.926 63.100 -0.008 0.000 0.766 397 P CB 0.320 31.974 31.700 -0.077 0.000 0.820 398 G N 1.388 110.246 108.800 0.096 0.000 2.220 398 G HA2 -0.282 3.678 3.960 0.001 0.000 0.269 398 G HA3 -0.282 3.678 3.960 0.001 0.000 0.269 398 G C 0.527 175.448 174.900 0.035 0.000 0.977 398 G CA 0.166 45.300 45.100 0.056 0.000 0.634 398 G HN 0.881 nan 8.290 nan 0.000 0.539 399 A N 0.524 123.366 122.820 0.037 0.000 2.540 399 A HA 0.593 4.913 4.320 0.001 0.000 0.239 399 A C 1.783 179.369 177.584 0.003 0.000 1.061 399 A CA 1.407 53.454 52.037 0.016 0.000 0.758 399 A CB 0.294 19.306 19.000 0.020 0.000 0.991 399 A HN 1.761 nan 8.150 nan 0.000 0.502 400 S N 1.331 117.026 115.700 -0.008 0.000 2.406 400 S HA -0.143 4.327 4.470 0.001 0.000 0.228 400 S C 1.509 176.087 174.600 -0.036 0.000 1.020 400 S CA 1.569 59.757 58.200 -0.020 0.000 0.965 400 S CB -0.873 62.317 63.200 -0.017 0.000 0.798 400 S HN 1.218 nan 8.310 nan 0.000 0.488 401 T N -0.430 114.105 114.554 -0.032 0.000 3.160 401 T HA 0.163 4.513 4.350 0.001 0.000 0.257 401 T C 0.492 175.153 174.700 -0.065 0.000 1.147 401 T CA -0.257 61.816 62.100 -0.046 0.000 1.064 401 T CB -0.709 68.138 68.868 -0.034 0.000 0.949 401 T HN 0.213 nan 8.240 nan 0.000 0.526 402 N N 2.233 120.900 118.700 -0.056 0.000 2.458 402 N HA 0.166 4.907 4.740 0.001 0.000 0.258 402 N C 0.955 176.350 175.510 -0.191 0.000 1.219 402 N CA -0.242 52.758 53.050 -0.084 0.000 0.902 402 N CB 0.944 39.412 38.487 -0.031 0.000 1.076 402 N HN 0.044 nan 8.380 nan 0.000 0.455 403 K N 1.110 121.310 120.400 -0.333 0.000 2.296 403 K HA 0.049 4.369 4.320 0.001 0.000 0.200 403 K C 0.112 176.262 176.600 -0.750 0.000 1.048 403 K CA 1.034 56.977 56.287 -0.574 0.000 0.966 403 K CB 0.005 32.038 32.500 -0.778 0.000 0.754 403 K HN 0.593 nan 8.250 nan 0.000 0.466 404 H N -0.131 118.669 119.070 -0.449 0.000 2.679 404 H HA 0.315 4.871 4.556 0.001 0.000 0.367 404 H C -2.297 172.763 175.328 -0.448 0.000 1.162 404 H CA -2.267 53.374 56.048 -0.678 0.000 1.181 404 H CB 1.628 30.659 29.762 -1.218 0.000 1.693 404 H HN -0.125 nan 8.280 nan 0.000 0.538 405 P HA 0.009 nan 4.420 nan 0.000 0.274 405 P C 0.222 177.379 177.300 -0.239 0.000 1.246 405 P CA -0.277 62.683 63.100 -0.234 0.000 0.795 405 P CB 1.375 32.943 31.700 -0.219 0.000 1.006 406 D N 0.163 120.548 120.400 -0.025 0.000 2.182 406 D HA -0.139 4.501 4.640 0.001 0.000 0.201 406 D C 1.908 178.248 176.300 0.066 0.000 0.986 406 D CA 1.207 55.256 54.000 0.081 0.000 0.847 406 D CB -0.499 40.441 40.800 0.234 0.000 0.942 406 D HN 0.614 nan 8.370 nan 0.000 0.467 407 W N 0.302 121.670 121.300 0.114 0.000 2.342 407 W HA -0.176 4.484 4.660 0.001 0.000 0.297 407 W C 1.970 178.551 176.519 0.102 0.000 1.213 407 W CA 0.294 57.699 57.345 0.099 0.000 1.251 407 W CB -1.315 28.201 29.460 0.093 0.000 1.136 407 W HN 0.066 nan 8.180 nan 0.000 0.526 408 W N 3.341 124.156 121.300 -0.809 0.000 2.378 408 W HA -0.183 4.478 4.660 0.001 0.000 0.313 408 W C 1.977 178.204 176.519 -0.486 0.000 1.197 408 W CA 1.844 58.704 57.345 -0.808 0.000 1.304 408 W CB -1.004 27.778 29.460 -1.130 0.000 1.148 408 W HN -0.092 nan 8.180 nan 0.000 0.494 409 N N 0.988 119.586 118.700 -0.170 0.000 2.120 409 N HA -0.209 4.531 4.740 0.001 0.000 0.188 409 N C 1.509 176.714 175.510 -0.508 0.000 1.024 409 N CA 1.968 54.707 53.050 -0.518 0.000 0.852 409 N CB -0.724 37.061 38.487 -1.171 0.000 1.003 409 N HN 0.198 nan 8.380 nan 0.000 0.424 410 E N 1.535 121.578 120.200 -0.261 0.000 2.038 410 E HA -0.116 4.235 4.350 0.001 0.000 0.195 410 E C 1.716 178.338 176.600 0.036 0.000 1.000 410 E CA 1.416 57.843 56.400 0.046 0.000 0.803 410 E CB -0.038 29.764 29.700 0.170 0.000 0.750 410 E HN 0.241 nan 8.360 nan 0.000 0.448 411 K N -0.488 119.922 120.400 0.017 0.000 2.044 411 K HA -0.155 4.166 4.320 0.001 0.000 0.210 411 K C 2.128 178.700 176.600 -0.047 0.000 1.049 411 K CA 1.649 57.934 56.287 -0.003 0.000 0.927 411 K CB -0.257 32.227 32.500 -0.026 0.000 0.713 411 K HN 0.069 nan 8.250 nan 0.000 0.443 412 V N 1.665 121.498 119.914 -0.134 0.000 2.323 412 V HA -0.221 3.899 4.120 0.001 0.000 0.244 412 V C 2.383 178.483 176.094 0.011 0.000 1.041 412 V CA 1.576 63.811 62.300 -0.108 0.000 1.025 412 V CB -0.412 31.309 31.823 -0.169 0.000 0.656 412 V HN 0.350 nan 8.190 nan 0.000 0.451 413 K N 0.403 120.808 120.400 0.008 0.000 2.032 413 K HA -0.241 4.079 4.320 0.001 0.000 0.209 413 K C 2.001 178.651 176.600 0.082 0.000 1.048 413 K CA 1.953 58.282 56.287 0.070 0.000 0.927 413 K CB -0.247 32.342 32.500 0.148 0.000 0.712 413 K HN 0.418 nan 8.250 nan 0.000 0.441 414 N N 0.450 119.203 118.700 0.089 0.000 2.120 414 N HA -0.190 4.550 4.740 0.001 0.000 0.188 414 N C 1.794 177.368 175.510 0.107 0.000 1.024 414 N CA 1.469 54.574 53.050 0.092 0.000 0.852 414 N CB -0.603 37.944 38.487 0.099 0.000 1.003 414 N HN 0.468 nan 8.380 nan 0.000 0.424 415 H N 0.589 119.682 119.070 0.039 0.000 2.326 415 H HA 0.114 4.671 4.556 0.000 0.000 0.301 415 H C 2.073 177.448 175.328 0.077 0.000 1.081 415 H CA 1.660 57.739 56.048 0.052 0.000 1.334 415 H CB -0.110 29.585 29.762 -0.111 0.000 1.385 415 H HN 0.079 nan 8.280 nan 0.000 0.504 416 M N -0.718 118.890 119.600 0.013 0.000 2.213 416 M HA -0.138 4.343 4.480 0.001 0.000 0.263 416 M C 1.659 178.001 176.300 0.070 0.000 1.062 416 M CA 1.137 56.448 55.300 0.018 0.000 1.105 416 M CB 0.061 32.733 32.600 0.122 0.000 1.385 416 M HN 0.371 nan 8.290 nan 0.000 0.417 417 M N -0.559 119.077 119.600 0.059 0.000 2.357 417 M HA -0.050 4.431 4.480 0.001 0.000 0.266 417 M C 1.840 178.141 176.300 0.001 0.000 1.095 417 M CA 1.483 56.831 55.300 0.081 0.000 1.156 417 M CB -0.767 31.863 32.600 0.051 0.000 1.365 417 M HN 0.305 nan 8.290 nan 0.000 0.447 418 Q N -0.784 118.974 119.800 -0.071 0.000 2.389 418 Q HA -0.026 4.314 4.340 0.001 0.000 0.204 418 Q C 0.016 175.732 176.000 -0.473 0.000 0.944 418 Q CA 0.678 56.349 55.803 -0.220 0.000 0.908 418 Q CB 0.354 28.969 28.738 -0.205 0.000 1.002 418 Q HN 0.554 nan 8.270 nan 0.000 0.493 419 H N 0.366 119.345 119.070 -0.152 0.000 2.348 419 H HA 0.197 4.753 4.556 0.000 0.000 0.232 419 H C 0.137 175.374 175.328 -0.151 0.000 1.419 419 H CA -0.087 55.873 56.048 -0.146 0.000 1.416 419 H CB 0.591 30.228 29.762 -0.208 0.000 1.510 419 H HN 0.247 nan 8.280 nan 0.000 0.507 420 Q N 0.702 120.477 119.800 -0.041 0.000 2.436 420 Q HA -0.100 4.240 4.340 0.001 0.000 0.209 420 Q C 1.809 177.759 176.000 -0.083 0.000 0.965 420 Q CA 0.680 56.429 55.803 -0.090 0.000 0.910 420 Q CB 0.419 29.076 28.738 -0.135 0.000 0.980 420 Q HN 0.543 nan 8.270 nan 0.000 0.491 421 E N 1.089 121.284 120.200 -0.008 0.000 2.427 421 E HA -0.107 4.243 4.350 0.001 0.000 0.196 421 E C -0.378 176.251 176.600 0.048 0.000 1.028 421 E CA 0.542 56.952 56.400 0.015 0.000 0.864 421 E CB 0.055 29.783 29.700 0.047 0.000 0.813 421 E HN 0.134 nan 8.360 nan 0.000 0.514 422 D N 1.788 122.228 120.400 0.066 0.000 2.233 422 D HA 0.157 4.797 4.640 0.001 0.000 0.240 422 D C -1.674 174.656 176.300 0.050 0.000 1.074 422 D CA -2.306 51.753 54.000 0.098 0.000 0.838 422 D CB 1.735 42.619 40.800 0.140 0.000 1.124 422 D HN -0.185 nan 8.370 nan 0.000 0.475 423 P HA 0.100 nan 4.420 nan 0.000 0.249 423 P C -0.135 177.192 177.300 0.045 0.000 1.229 423 P CA 0.124 63.245 63.100 0.034 0.000 0.788 423 P CB 0.421 32.135 31.700 0.023 0.000 1.072 424 L N 2.176 123.433 121.223 0.056 0.000 2.322 424 L HA 0.352 4.693 4.340 0.001 0.000 0.279 424 L C -1.248 175.639 176.870 0.029 0.000 1.036 424 L CA -2.252 52.597 54.840 0.015 0.000 0.807 424 L CB 2.160 44.193 42.059 -0.045 0.000 1.226 424 L HN -0.267 nan 8.230 nan 0.000 0.433 425 P HA 0.047 nan 4.420 nan 0.000 0.249 425 P C 0.203 177.344 177.300 -0.265 0.000 1.229 425 P CA 0.536 63.614 63.100 -0.036 0.000 0.788 425 P CB 0.276 31.966 31.700 -0.017 0.000 1.072 426 I N 2.451 122.776 120.570 -0.409 0.000 2.352 426 I HA 0.209 4.379 4.170 0.001 0.000 0.290 426 I C -2.092 173.496 176.117 -0.883 0.000 1.036 426 I CA -2.699 58.297 61.300 -0.506 0.000 1.336 426 I CB 0.640 38.449 38.000 -0.318 0.000 1.407 426 I HN -0.215 nan 8.210 nan 0.000 0.497 427 P HA 0.022 nan 4.420 nan 0.000 0.269 427 P C 0.338 177.373 177.300 -0.442 0.000 1.215 427 P CA -0.049 62.647 63.100 -0.673 0.000 0.780 427 P CB 0.403 31.945 31.700 -0.263 0.000 0.898 428 F N 0.396 120.214 119.950 -0.221 0.000 2.216 428 F HA -0.102 4.425 4.527 0.001 0.000 0.300 428 F C 1.565 177.322 175.800 -0.071 0.000 1.085 428 F CA 1.550 59.472 58.000 -0.129 0.000 1.326 428 F CB -0.788 38.151 39.000 -0.102 0.000 1.027 428 F HN 0.383 nan 8.300 nan 0.000 0.497 429 E N -0.111 120.167 120.200 0.129 0.000 2.411 429 E HA 0.032 4.383 4.350 0.001 0.000 0.204 429 E C -0.465 176.156 176.600 0.035 0.000 1.059 429 E CA -0.305 56.143 56.400 0.081 0.000 1.112 429 E CB -0.228 29.515 29.700 0.071 0.000 1.168 429 E HN 0.121 nan 8.360 nan 0.000 0.445 430 D N 2.374 122.779 120.400 0.009 0.000 2.458 430 D HA 0.031 4.671 4.640 0.001 0.000 0.243 430 D C -2.234 174.087 176.300 0.036 0.000 1.146 430 D CA -1.659 52.331 54.000 -0.015 0.000 0.877 430 D CB 0.783 41.544 40.800 -0.065 0.000 1.176 430 D HN -0.082 nan 8.370 nan 0.000 0.461 431 P HA 0.049 nan 4.420 nan 0.000 0.269 431 P C -0.527 176.909 177.300 0.227 0.000 1.217 431 P CA -0.184 62.993 63.100 0.129 0.000 0.783 431 P CB 0.343 32.057 31.700 0.022 0.000 0.898 432 E N 2.394 122.781 120.200 0.313 0.000 2.373 432 E HA 0.240 4.590 4.350 0.001 0.000 0.263 432 E C -2.407 174.283 176.600 0.150 0.000 1.073 432 E CA -2.424 54.088 56.400 0.187 0.000 0.894 432 E CB -1.046 28.733 29.700 0.131 0.000 1.008 432 E HN 0.284 nan 8.360 nan 0.000 0.420 433 P HA 0.037 nan 4.420 nan 0.000 0.269 433 P C -0.346 176.949 177.300 -0.008 0.000 1.209 433 P CA 0.076 63.253 63.100 0.130 0.000 0.776 433 P CB 0.431 32.147 31.700 0.027 0.000 0.876 434 Q N 1.199 121.081 119.800 0.137 0.000 3.484 434 Q HA 0.308 4.649 4.340 0.001 0.000 0.255 434 Q C -1.090 174.980 176.000 0.116 0.000 0.909 434 Q CA -0.315 55.427 55.803 -0.102 0.000 0.774 434 Q CB 1.247 29.662 28.738 -0.538 0.000 1.431 434 Q HN 0.189 nan 8.270 nan 0.000 0.423 435 V N 0.489 120.423 119.914 0.034 0.000 2.628 435 V HA 0.748 4.868 4.120 0.001 0.000 0.306 435 V C 0.121 176.228 176.094 0.021 0.000 1.045 435 V CA -0.491 61.831 62.300 0.036 0.000 0.905 435 V CB 2.079 33.856 31.823 -0.077 0.000 0.997 435 V HN 0.418 nan 8.190 nan 0.000 0.436 436 T N 1.774 116.374 114.554 0.077 0.000 2.900 436 T HA 0.513 4.863 4.350 0.001 0.000 0.303 436 T C -0.935 173.743 174.700 -0.036 0.000 1.142 436 T CA -0.307 61.802 62.100 0.014 0.000 1.007 436 T CB 1.942 70.820 68.868 0.016 0.000 1.156 436 T HN 0.816 nan 8.240 nan 0.000 0.490 437 T N 4.404 118.816 114.554 -0.236 0.000 2.791 437 T HA 0.588 4.938 4.350 0.001 0.000 0.288 437 T C -0.057 174.546 174.700 -0.163 0.000 0.999 437 T CA -0.596 61.227 62.100 -0.460 0.000 0.952 437 T CB -0.123 68.073 68.868 -1.121 0.000 0.938 437 T HN 0.511 nan 8.240 nan 0.000 0.444 438 L N 4.417 125.601 121.223 -0.066 0.000 2.467 438 L HA 0.355 4.695 4.340 0.001 0.000 0.270 438 L C 0.798 177.664 176.870 -0.007 0.000 1.205 438 L CA -0.796 54.071 54.840 0.045 0.000 0.828 438 L CB 0.215 42.282 42.059 0.014 0.000 1.101 438 L HN 0.640 nan 8.230 nan 0.000 0.479 439 F N 2.851 122.721 119.950 -0.135 0.000 2.623 439 F HA -0.072 4.456 4.527 0.001 0.000 0.381 439 F C 0.282 175.798 175.800 -0.473 0.000 1.081 439 F CA 0.600 58.422 58.000 -0.297 0.000 1.293 439 F CB 0.185 39.064 39.000 -0.202 0.000 1.006 439 F HN 0.388 nan 8.300 nan 0.000 0.578 440 Q N 6.249 125.497 119.800 -0.920 0.000 2.501 440 Q HA 0.243 4.584 4.340 0.001 0.000 0.288 440 Q C -2.060 173.481 176.000 -0.766 0.000 1.051 440 Q CA -1.749 53.648 55.803 -0.678 0.000 0.788 440 Q CB 1.373 29.642 28.738 -0.782 0.000 1.469 440 Q HN 0.248 nan 8.270 nan 0.000 0.416 441 P HA -0.223 nan 4.420 nan 0.000 0.217 441 P C 1.235 178.324 177.300 -0.351 0.000 1.151 441 P CA 2.212 65.142 63.100 -0.283 0.000 0.849 441 P CB 0.229 31.854 31.700 -0.125 0.000 0.787 442 S N -1.683 113.813 115.700 -0.341 0.000 2.496 442 S HA -0.100 4.371 4.470 0.001 0.000 0.224 442 S C 0.663 175.072 174.600 -0.319 0.000 0.996 442 S CA 0.237 58.304 58.200 -0.221 0.000 0.927 442 S CB -1.201 61.964 63.200 -0.058 0.000 0.774 442 S HN 0.437 nan 8.310 nan 0.000 0.524 443 H N -0.949 117.667 119.070 -0.757 0.000 2.490 443 H HA 0.499 5.055 4.556 0.000 0.000 0.230 443 H C -3.217 170.992 175.328 -1.865 0.000 1.417 443 H CA -1.928 53.283 56.048 -1.394 0.000 1.449 443 H CB 0.557 29.756 29.762 -0.938 0.000 1.649 443 H HN 0.094 nan 8.280 nan 0.000 0.519 444 P HA 0.097 nan 4.420 nan 0.000 0.225 444 P C -1.304 175.498 177.300 -0.830 0.000 1.813 444 P CA 0.166 62.183 63.100 -1.805 0.000 1.013 444 P CB -1.029 30.131 31.700 -0.901 0.000 1.961 445 W N 0.156 121.200 121.300 -0.426 0.000 3.248 445 W HA 0.491 5.151 4.660 0.000 0.000 0.311 445 W C -1.055 175.567 176.519 0.171 0.000 1.258 445 W CA -1.183 56.217 57.345 0.091 0.000 1.191 445 W CB 0.070 29.596 29.460 0.112 0.000 1.389 445 W HN 0.030 nan 8.180 nan 0.000 0.561 446 H N 1.148 120.477 119.070 0.432 0.000 2.505 446 H HA 0.737 5.293 4.556 0.000 0.000 0.351 446 H C -0.177 175.302 175.328 0.252 0.000 1.151 446 H CA 0.548 56.741 56.048 0.242 0.000 1.339 446 H CB 1.564 31.392 29.762 0.109 0.000 1.483 446 H HN 0.587 nan 8.280 nan 0.000 0.558 447 T N 1.894 116.109 114.554 -0.565 0.000 2.912 447 T HA 0.513 4.863 4.350 0.001 0.000 0.299 447 T C -0.865 173.582 174.700 -0.422 0.000 1.052 447 T CA -1.092 60.712 62.100 -0.495 0.000 0.996 447 T CB 1.621 70.082 68.868 -0.678 0.000 1.070 447 T HN 0.663 nan 8.240 nan 0.000 0.465 448 Q N 1.850 121.635 119.800 -0.025 0.000 2.263 448 Q HA 0.549 4.889 4.340 0.001 0.000 0.266 448 Q C -1.382 174.605 176.000 -0.022 0.000 1.002 448 Q CA -0.611 55.195 55.803 0.006 0.000 0.790 448 Q CB 2.586 31.417 28.738 0.155 0.000 1.272 448 Q HN 0.736 nan 8.270 nan 0.000 0.435 449 I N 2.609 123.079 120.570 -0.167 0.000 2.448 449 I HA 0.336 4.506 4.170 0.001 0.000 0.281 449 I C -0.408 175.531 176.117 -0.296 0.000 1.027 449 I CA -0.135 60.893 61.300 -0.453 0.000 1.111 449 I CB 1.245 38.824 38.000 -0.702 0.000 1.236 449 I HN 0.533 nan 8.210 nan 0.000 0.452 450 Q N 4.219 123.872 119.800 -0.245 0.000 2.893 450 Q HA 0.597 4.937 4.340 0.001 0.000 0.331 450 Q C -0.745 175.206 176.000 -0.082 0.000 0.893 450 Q CA -1.238 54.486 55.803 -0.132 0.000 0.783 450 Q CB 2.226 30.911 28.738 -0.088 0.000 1.440 450 Q HN 0.239 nan 8.270 nan 0.000 0.508 451 R N 1.439 121.923 120.500 -0.026 0.000 2.718 451 R HA 0.351 4.691 4.340 0.001 0.000 0.266 451 R C -1.737 174.601 176.300 0.063 0.000 1.776 451 R CA -0.131 55.991 56.100 0.037 0.000 1.567 451 R CB 0.229 30.566 30.300 0.062 0.000 1.336 451 R HN 0.676 nan 8.270 nan 0.000 0.619 452 D N 0.466 120.906 120.400 0.067 0.000 2.387 452 D HA 0.422 5.062 4.640 0.001 0.000 0.251 452 D C -0.001 176.374 176.300 0.126 0.000 1.141 452 D CA -0.043 53.993 54.000 0.060 0.000 0.987 452 D CB 1.094 41.917 40.800 0.038 0.000 1.116 452 D HN 0.469 nan 8.370 nan 0.000 0.491 453 A N 1.159 124.041 122.820 0.104 0.000 2.587 453 A HA 0.274 4.594 4.320 0.001 0.000 0.235 453 A C -0.655 177.016 177.584 0.145 0.000 1.044 453 A CA 0.732 52.851 52.037 0.137 0.000 0.754 453 A CB -0.431 18.657 19.000 0.146 0.000 0.968 453 A HN 0.458 nan 8.150 nan 0.000 0.509 454 F N 1.661 121.549 119.950 -0.104 0.000 2.622 454 F HA 0.419 4.946 4.527 0.001 0.000 0.318 454 F C 0.118 175.706 175.800 -0.354 0.000 1.135 454 F CA -0.247 57.568 58.000 -0.308 0.000 1.015 454 F CB 1.768 40.452 39.000 -0.526 0.000 1.275 454 F HN 0.549 nan 8.300 nan 0.000 0.457 455 S N 4.533 119.794 115.700 -0.732 0.000 2.681 455 S HA 0.363 4.834 4.470 0.001 0.000 0.313 455 S C -0.940 173.448 174.600 -0.354 0.000 1.137 455 S CA -0.466 57.499 58.200 -0.392 0.000 1.045 455 S CB -0.647 62.369 63.200 -0.307 0.000 1.208 455 S HN 0.458 nan 8.310 nan 0.000 0.523 456 Y N 2.274 122.679 120.300 0.175 0.000 2.511 456 Y HA 0.407 4.957 4.550 0.000 0.000 0.332 456 Y C 1.594 177.573 175.900 0.131 0.000 1.177 456 Y CA 0.338 58.612 58.100 0.289 0.000 1.422 456 Y CB 0.137 38.761 38.460 0.272 0.000 1.271 456 Y HN 0.792 nan 8.280 nan 0.000 0.550 457 G N 1.071 110.038 108.800 0.278 0.000 2.716 457 G HA2 0.265 4.225 3.960 0.001 0.000 0.251 457 G HA3 0.265 4.225 3.960 0.001 0.000 0.251 457 G C 0.915 175.911 174.900 0.160 0.000 1.224 457 G CA -0.140 45.059 45.100 0.165 0.000 0.891 457 G HN 0.897 nan 8.290 nan 0.000 0.561 458 A N -0.424 122.458 122.820 0.103 0.000 2.019 458 A HA 0.018 4.339 4.320 0.001 0.000 0.219 458 A C 2.376 180.004 177.584 0.074 0.000 1.164 458 A CA 1.925 54.010 52.037 0.080 0.000 0.644 458 A CB -0.304 18.729 19.000 0.055 0.000 0.805 458 A HN 0.490 nan 8.150 nan 0.000 0.449 459 V N -0.712 119.250 119.914 0.080 0.000 2.575 459 V HA -0.174 3.946 4.120 0.001 0.000 0.242 459 V C 2.462 178.598 176.094 0.070 0.000 1.045 459 V CA 1.550 63.889 62.300 0.064 0.000 1.065 459 V CB -0.613 31.244 31.823 0.058 0.000 0.717 459 V HN 0.602 nan 8.190 nan 0.000 0.467 460 Q N -0.168 119.702 119.800 0.116 0.000 2.135 460 Q HA -0.292 4.048 4.340 0.001 0.000 0.204 460 Q C 2.164 178.172 176.000 0.013 0.000 0.981 460 Q CA 1.653 57.529 55.803 0.123 0.000 0.856 460 Q CB -0.224 28.704 28.738 0.317 0.000 0.902 460 Q HN 0.659 nan 8.270 nan 0.000 0.425 461 Q N -0.200 119.629 119.800 0.049 0.000 2.439 461 Q HA -0.100 4.240 4.340 0.001 0.000 0.211 461 Q C 1.928 177.911 176.000 -0.029 0.000 0.978 461 Q CA 0.662 56.458 55.803 -0.012 0.000 0.897 461 Q CB -0.035 28.739 28.738 0.061 0.000 0.956 461 Q HN 0.164 nan 8.270 nan 0.000 0.483 462 S N -0.174 115.520 115.700 -0.009 0.000 2.453 462 S HA -0.015 4.455 4.470 0.001 0.000 0.231 462 S C 0.752 175.335 174.600 -0.029 0.000 1.005 462 S CA 0.175 58.370 58.200 -0.009 0.000 0.949 462 S CB 0.244 63.448 63.200 0.006 0.000 0.774 462 S HN 0.150 nan 8.310 nan 0.000 0.510 463 I N 2.704 123.236 120.570 -0.062 0.000 2.365 463 I HA 0.237 4.408 4.170 0.001 0.000 0.291 463 I C 0.367 176.424 176.117 -0.100 0.000 1.004 463 I CA -0.783 60.474 61.300 -0.071 0.000 1.311 463 I CB 0.830 38.786 38.000 -0.073 0.000 1.401 463 I HN 0.149 nan 8.210 nan 0.000 0.491 464 D N 4.318 124.685 120.400 -0.054 0.000 2.531 464 D HA -0.079 4.561 4.640 0.001 0.000 0.239 464 D C 1.299 177.557 176.300 -0.070 0.000 1.144 464 D CA 0.219 54.196 54.000 -0.038 0.000 0.869 464 D CB 1.130 41.932 40.800 0.003 0.000 1.160 464 D HN 0.681 nan 8.370 nan 0.000 0.484 465 S N 4.370 120.022 115.700 -0.080 0.000 2.419 465 S HA -0.216 4.254 4.470 0.001 0.000 0.235 465 S C 1.651 176.244 174.600 -0.012 0.000 1.019 465 S CA 0.739 58.891 58.200 -0.079 0.000 0.982 465 S CB -0.059 63.126 63.200 -0.026 0.000 0.789 465 S HN 0.566 nan 8.310 nan 0.000 0.490 466 R N 0.675 121.175 120.500 0.002 0.000 2.189 466 R HA 0.204 4.545 4.340 0.001 0.000 0.223 466 R C 1.825 178.119 176.300 -0.009 0.000 1.092 466 R CA 1.072 57.170 56.100 -0.003 0.000 0.989 466 R CB -0.487 29.795 30.300 -0.029 0.000 0.876 466 R HN 0.453 nan 8.270 nan 0.000 0.457 467 L N 0.394 121.610 121.223 -0.013 0.000 2.509 467 L HA 0.135 4.476 4.340 0.001 0.000 0.222 467 L C 0.647 177.525 176.870 0.013 0.000 1.123 467 L CA 0.178 55.015 54.840 -0.004 0.000 0.856 467 L CB 0.119 42.170 42.059 -0.013 0.000 0.985 467 L HN 0.063 nan 8.230 nan 0.000 0.456 468 I N 0.378 120.956 120.570 0.012 0.000 2.353 468 I HA 0.242 4.412 4.170 0.001 0.000 0.293 468 I C -0.644 175.509 176.117 0.060 0.000 0.992 468 I CA -0.398 60.924 61.300 0.038 0.000 1.268 468 I CB 1.760 39.776 38.000 0.027 0.000 1.387 468 I HN -0.290 nan 8.210 nan 0.000 0.478 469 V N 5.074 125.037 119.914 0.083 0.000 2.577 469 V HA 0.281 4.401 4.120 0.001 0.000 0.303 469 V C -0.751 175.362 176.094 0.033 0.000 1.042 469 V CA -0.858 61.462 62.300 0.034 0.000 0.872 469 V CB 2.058 33.918 31.823 0.060 0.000 0.998 469 V HN 0.588 nan 8.190 nan 0.000 0.423 470 D N 3.173 123.520 120.400 -0.088 0.000 2.256 470 D HA 0.398 5.038 4.640 0.001 0.000 0.250 470 D C -0.897 175.241 176.300 -0.270 0.000 1.093 470 D CA 0.159 54.121 54.000 -0.064 0.000 0.882 470 D CB 1.134 41.979 40.800 0.075 0.000 1.185 470 D HN 0.436 nan 8.370 nan 0.000 0.437 471 W N 1.582 122.793 121.300 -0.148 0.000 2.538 471 W HA 0.444 5.104 4.660 0.001 0.000 0.322 471 W C 0.280 176.805 176.519 0.010 0.000 1.028 471 W CA -0.864 56.457 57.345 -0.041 0.000 1.228 471 W CB 1.194 30.544 29.460 -0.183 0.000 1.356 471 W HN -0.066 nan 8.180 nan 0.000 0.452 472 R N 2.805 123.502 120.500 0.328 0.000 2.476 472 R HA 0.555 4.896 4.340 0.001 0.000 0.305 472 R C -1.512 174.975 176.300 0.312 0.000 0.965 472 R CA -0.838 55.360 56.100 0.164 0.000 0.867 472 R CB 1.596 31.906 30.300 0.017 0.000 1.176 472 R HN 0.179 nan 8.270 nan 0.000 0.447 473 F N 3.072 122.883 119.950 -0.232 0.000 2.495 473 F HA 0.514 5.042 4.527 0.000 0.000 0.327 473 F C -0.529 175.203 175.800 -0.114 0.000 1.103 473 F CA -1.518 56.467 58.000 -0.025 0.000 0.949 473 F CB 1.242 40.184 39.000 -0.097 0.000 1.142 473 F HN 0.298 nan 8.300 nan 0.000 0.457 474 F N 1.307 121.436 119.950 0.298 0.000 2.477 474 F HA 0.667 5.194 4.527 0.000 0.000 0.335 474 F C 0.562 176.564 175.800 0.338 0.000 1.130 474 F CA -1.314 56.862 58.000 0.293 0.000 0.948 474 F CB 1.407 40.630 39.000 0.372 0.000 1.154 474 F HN 0.509 nan 8.300 nan 0.000 0.439 475 G N 2.015 111.064 108.800 0.416 0.000 2.462 475 G HA2 0.654 4.615 3.960 0.001 0.000 0.319 475 G HA3 0.654 4.615 3.960 0.001 0.000 0.319 475 G C -0.854 174.233 174.900 0.312 0.000 1.171 475 G CA -1.074 44.252 45.100 0.377 0.000 0.920 475 G HN 0.709 nan 8.290 nan 0.000 0.499 476 R N -0.833 119.849 120.500 0.303 0.000 2.474 476 R HA 0.667 5.007 4.340 0.001 0.000 0.295 476 R C -1.034 175.366 176.300 0.167 0.000 0.980 476 R CA -0.576 55.629 56.100 0.175 0.000 0.934 476 R CB 1.381 31.806 30.300 0.208 0.000 1.101 476 R HN 0.260 nan 8.270 nan 0.000 0.469 477 T N 2.689 117.307 114.554 0.106 0.000 2.786 477 T HA 0.163 4.513 4.350 0.001 0.000 0.283 477 T C -0.790 173.993 174.700 0.139 0.000 0.992 477 T CA -0.761 61.450 62.100 0.184 0.000 0.954 477 T CB 1.110 70.155 68.868 0.296 0.000 0.934 477 T HN 0.603 nan 8.240 nan 0.000 0.440 478 E N 3.985 124.271 120.200 0.143 0.000 2.452 478 E HA 0.133 4.483 4.350 0.001 0.000 0.261 478 E C -2.378 174.307 176.600 0.140 0.000 0.987 478 E CA -1.470 55.007 56.400 0.127 0.000 0.926 478 E CB 0.040 29.806 29.700 0.110 0.000 0.934 478 E HN 0.274 nan 8.360 nan 0.000 0.452 479 P HA 0.072 nan 4.420 nan 0.000 0.276 479 P C -0.907 176.548 177.300 0.259 0.000 1.243 479 P CA 0.107 63.349 63.100 0.237 0.000 0.768 479 P CB 0.610 32.463 31.700 0.255 0.000 0.856 480 K N 2.581 123.086 120.400 0.175 0.000 2.427 480 K HA 0.160 4.480 4.320 0.001 0.000 0.252 480 K C 0.854 177.331 176.600 -0.206 0.000 0.931 480 K CA -0.629 55.687 56.287 0.048 0.000 0.793 480 K CB 2.320 34.802 32.500 -0.030 0.000 1.211 480 K HN 0.441 nan 8.250 nan 0.000 0.426 481 E N 2.280 122.214 120.200 -0.442 0.000 2.110 481 E HA -0.203 4.147 4.350 0.001 0.000 0.193 481 E C 1.022 177.364 176.600 -0.430 0.000 0.988 481 E CA 1.429 57.271 56.400 -0.929 0.000 0.804 481 E CB 0.440 29.785 29.700 -0.592 0.000 0.745 481 E HN 0.563 nan 8.360 nan 0.000 0.458 482 E N 0.516 120.573 120.200 -0.238 0.000 2.338 482 E HA -0.139 4.211 4.350 0.001 0.000 0.197 482 E C 0.001 176.533 176.600 -0.113 0.000 1.007 482 E CA 0.400 56.711 56.400 -0.148 0.000 0.849 482 E CB -0.362 29.268 29.700 -0.117 0.000 0.774 482 E HN 0.089 nan 8.360 nan 0.000 0.506 483 N N 2.053 120.676 118.700 -0.129 0.000 2.401 483 N HA 0.161 4.901 4.740 0.001 0.000 0.255 483 N C -0.731 174.830 175.510 0.085 0.000 1.110 483 N CA 0.189 53.209 53.050 -0.050 0.000 0.949 483 N CB 1.018 39.425 38.487 -0.132 0.000 1.110 483 N HN 0.132 nan 8.380 nan 0.000 0.490 484 K N 1.202 121.707 120.400 0.176 0.000 2.426 484 K HA 0.472 4.792 4.320 0.001 0.000 0.251 484 K C -1.104 175.655 176.600 0.266 0.000 0.941 484 K CA -0.929 55.485 56.287 0.212 0.000 0.808 484 K CB 2.387 35.004 32.500 0.196 0.000 1.265 484 K HN 0.164 nan 8.250 nan 0.000 0.432 485 L N 3.988 125.311 121.223 0.167 0.000 2.298 485 L HA 0.550 4.890 4.340 0.001 0.000 0.284 485 L C -1.272 175.527 176.870 -0.118 0.000 1.013 485 L CA -0.120 54.651 54.840 -0.115 0.000 0.824 485 L CB 0.499 42.481 42.059 -0.128 0.000 1.221 485 L HN 0.694 nan 8.230 nan 0.000 0.418 486 W N 3.640 124.658 121.300 -0.470 0.000 2.967 486 W HA 0.665 5.326 4.660 0.001 0.000 0.342 486 W C -2.062 174.021 176.519 -0.727 0.000 1.162 486 W CA -1.229 55.896 57.345 -0.367 0.000 1.085 486 W CB 0.872 30.260 29.460 -0.120 0.000 1.460 486 W HN 0.321 nan 8.180 nan 0.000 0.584 487 F N 1.306 121.424 119.950 0.281 0.000 2.529 487 F HA 0.329 4.857 4.527 0.000 0.000 0.320 487 F C 0.733 176.670 175.800 0.229 0.000 1.118 487 F CA -0.973 57.068 58.000 0.068 0.000 0.915 487 F CB 2.104 41.134 39.000 0.050 0.000 1.161 487 F HN 0.249 nan 8.300 nan 0.000 0.445 488 S N 1.183 117.002 115.700 0.198 0.000 2.549 488 S HA 0.035 4.505 4.470 0.001 0.000 0.283 488 S C 0.836 175.573 174.600 0.228 0.000 1.320 488 S CA -0.486 57.863 58.200 0.249 0.000 1.058 488 S CB 0.336 63.597 63.200 0.101 0.000 0.882 488 S HN 0.700 nan 8.310 nan 0.000 0.498 489 D N 3.264 123.794 120.400 0.217 0.000 2.355 489 D HA 0.034 4.674 4.640 0.001 0.000 0.218 489 D C 1.088 177.448 176.300 0.100 0.000 1.004 489 D CA 0.616 54.699 54.000 0.138 0.000 0.880 489 D CB 0.120 40.988 40.800 0.113 0.000 0.911 489 D HN 0.542 nan 8.370 nan 0.000 0.528 490 K N -0.357 120.106 120.400 0.104 0.000 2.443 490 K HA 0.123 4.444 4.320 0.001 0.000 0.200 490 K C -0.013 176.625 176.600 0.064 0.000 1.278 490 K CA -0.134 56.197 56.287 0.075 0.000 0.925 490 K CB 0.883 33.428 32.500 0.076 0.000 1.225 490 K HN -0.041 nan 8.250 nan 0.000 0.514 491 I N 3.158 123.769 120.570 0.068 0.000 2.385 491 I HA 0.163 4.333 4.170 0.001 0.000 0.294 491 I C 0.385 176.533 176.117 0.052 0.000 0.988 491 I CA -0.262 61.068 61.300 0.049 0.000 1.265 491 I CB 1.316 39.336 38.000 0.033 0.000 1.388 491 I HN 0.183 nan 8.210 nan 0.000 0.480 492 T N 1.109 115.690 114.554 0.045 0.000 2.924 492 T HA 0.582 4.932 4.350 0.001 0.000 0.291 492 T C -0.340 174.391 174.700 0.053 0.000 1.045 492 T CA -0.869 61.264 62.100 0.055 0.000 1.015 492 T CB 2.364 71.262 68.868 0.050 0.000 1.103 492 T HN 0.540 nan 8.240 nan 0.000 0.496 493 D N 0.777 121.225 120.400 0.080 0.000 2.478 493 D HA 0.443 5.083 4.640 0.001 0.000 0.274 493 D C 1.637 177.972 176.300 0.057 0.000 1.234 493 D CA -0.375 53.678 54.000 0.088 0.000 1.069 493 D CB -0.058 40.835 40.800 0.155 0.000 1.113 493 D HN 0.664 nan 8.370 nan 0.000 0.571 494 A N -1.372 121.466 122.820 0.030 0.000 2.125 494 A HA -0.119 4.201 4.320 0.001 0.000 0.219 494 A C 1.179 178.598 177.584 -0.276 0.000 1.156 494 A CA 0.891 52.846 52.037 -0.137 0.000 0.671 494 A CB -0.962 17.906 19.000 -0.219 0.000 0.794 494 A HN 0.554 nan 8.150 nan 0.000 0.459 495 Y N -1.317 119.000 120.300 0.028 0.000 2.658 495 Y HA 0.243 4.793 4.550 0.001 0.000 0.276 495 Y C 0.719 176.641 175.900 0.037 0.000 1.167 495 Y CA -0.204 57.916 58.100 0.034 0.000 1.230 495 Y CB -0.302 38.163 38.460 0.008 0.000 1.144 495 Y HN 0.431 nan 8.280 nan 0.000 0.529 496 N N 0.011 118.777 118.700 0.111 0.000 2.747 496 N HA -0.171 4.569 4.740 0.001 0.000 0.249 496 N C -0.765 174.788 175.510 0.072 0.000 1.107 496 N CA 0.618 53.710 53.050 0.070 0.000 0.707 496 N CB -0.476 38.038 38.487 0.045 0.000 1.054 496 N HN 0.146 nan 8.380 nan 0.000 0.555 497 M N -0.449 119.210 119.600 0.099 0.000 2.644 497 M HA 0.444 4.924 4.480 0.001 0.000 0.316 497 M C -2.203 174.149 176.300 0.086 0.000 1.200 497 M CA -2.025 53.318 55.300 0.073 0.000 0.944 497 M CB 0.950 33.593 32.600 0.072 0.000 1.691 497 M HN -0.277 nan 8.290 nan 0.000 0.471 498 P HA -0.001 nan 4.420 nan 0.000 0.263 498 P C -0.657 176.780 177.300 0.228 0.000 1.195 498 P CA 0.105 63.283 63.100 0.129 0.000 0.762 498 P CB 0.263 32.030 31.700 0.113 0.000 0.799 499 Q N 7.182 127.070 119.800 0.148 0.000 2.286 499 Q HA 0.173 4.513 4.340 0.001 0.000 0.267 499 Q C -2.258 173.716 176.000 -0.042 0.000 1.028 499 Q CA -2.036 53.808 55.803 0.069 0.000 0.901 499 Q CB -0.140 28.590 28.738 -0.013 0.000 1.183 499 Q HN 0.287 nan 8.270 nan 0.000 0.392 500 P HA 0.099 nan 4.420 nan 0.000 0.271 500 P C -1.040 175.777 177.300 -0.804 0.000 1.216 500 P CA -0.105 62.605 63.100 -0.650 0.000 0.776 500 P CB 1.001 32.405 31.700 -0.493 0.000 0.881 501 T N 2.915 116.752 114.554 -1.195 0.000 2.971 501 T HA 0.476 4.826 4.350 0.001 0.000 0.304 501 T C -0.632 173.404 174.700 -1.106 0.000 1.038 501 T CA -0.131 61.285 62.100 -1.141 0.000 1.007 501 T CB 0.469 68.354 68.868 -1.637 0.000 1.055 501 T HN 0.045 nan 8.240 nan 0.000 0.451 502 F N 2.032 121.724 119.950 -0.430 0.000 2.399 502 F HA 0.482 5.010 4.527 0.001 0.000 0.334 502 F C 0.733 176.516 175.800 -0.028 0.000 1.097 502 F CA -0.902 56.975 58.000 -0.204 0.000 1.076 502 F CB 1.036 39.959 39.000 -0.128 0.000 1.162 502 F HN 0.398 nan 8.300 nan 0.000 0.495 503 D N 3.742 124.339 120.400 0.327 0.000 2.438 503 D HA 0.205 4.846 4.640 0.001 0.000 0.257 503 D C -1.706 174.732 176.300 0.229 0.000 1.148 503 D CA -0.098 54.070 54.000 0.281 0.000 0.902 503 D CB 0.183 41.166 40.800 0.306 0.000 1.062 503 D HN 0.284 nan 8.370 nan 0.000 0.518 504 F N 3.057 123.011 119.950 0.007 0.000 2.561 504 F HA 0.552 5.079 4.527 0.001 0.000 0.313 504 F C -1.004 174.697 175.800 -0.164 0.000 1.126 504 F CA -0.631 57.304 58.000 -0.108 0.000 0.918 504 F CB 1.401 40.273 39.000 -0.214 0.000 1.199 504 F HN 0.008 nan 8.300 nan 0.000 0.444 505 R N 4.380 124.406 120.500 -0.791 0.000 2.725 505 R HA 0.369 4.709 4.340 0.001 0.000 0.277 505 R C -1.595 174.162 176.300 -0.906 0.000 0.987 505 R CA -0.980 54.783 56.100 -0.562 0.000 0.901 505 R CB 1.951 32.108 30.300 -0.238 0.000 1.207 505 R HN 0.569 nan 8.270 nan 0.000 0.463 506 F N 2.791 122.573 119.950 -0.280 0.000 2.578 506 F HA 0.158 4.685 4.527 0.000 0.000 0.381 506 F C -1.386 174.309 175.800 -0.175 0.000 1.069 506 F CA -1.106 56.795 58.000 -0.165 0.000 1.231 506 F CB -0.031 38.980 39.000 0.019 0.000 1.086 506 F HN 0.147 nan 8.300 nan 0.000 0.564 507 P HA 0.111 nan 4.420 nan 0.000 0.266 507 P C -0.624 176.696 177.300 0.034 0.000 1.195 507 P CA -0.160 62.928 63.100 -0.019 0.000 0.768 507 P CB 0.541 32.244 31.700 0.005 0.000 0.838 508 A N 2.829 125.653 122.820 0.007 0.000 2.448 508 A HA 0.511 4.832 4.320 0.001 0.000 0.239 508 A C 1.151 178.753 177.584 0.030 0.000 1.080 508 A CA 0.914 52.960 52.037 0.016 0.000 0.779 508 A CB -1.050 17.951 19.000 0.001 0.000 1.026 508 A HN 0.833 nan 8.150 nan 0.000 0.499 509 G N 0.159 108.978 108.800 0.032 0.000 2.503 509 G HA2 -0.253 3.708 3.960 0.001 0.000 0.235 509 G HA3 -0.253 3.708 3.960 0.001 0.000 0.235 509 G C 1.017 175.950 174.900 0.055 0.000 1.179 509 G CA 0.747 45.871 45.100 0.040 0.000 0.944 509 G HN 1.030 nan 8.290 nan 0.000 0.580 510 R N -0.224 120.316 120.500 0.066 0.000 2.113 510 R HA -0.128 4.212 4.340 0.001 0.000 0.244 510 R C 2.823 179.184 176.300 0.103 0.000 1.142 510 R CA 2.943 59.093 56.100 0.084 0.000 0.953 510 R CB -0.951 29.402 30.300 0.088 0.000 0.860 510 R HN 0.641 nan 8.270 nan 0.000 0.438 511 T N -0.028 114.590 114.554 0.107 0.000 2.684 511 T HA -0.119 4.231 4.350 0.001 0.000 0.267 511 T C 1.931 176.689 174.700 0.098 0.000 1.036 511 T CA 1.871 64.050 62.100 0.132 0.000 1.148 511 T CB -0.187 68.781 68.868 0.167 0.000 0.863 511 T HN 0.302 nan 8.240 nan 0.000 0.436 512 S N 0.655 116.395 115.700 0.066 0.000 2.371 512 S HA -0.017 4.453 4.470 0.001 0.000 0.224 512 S C 2.000 176.609 174.600 0.016 0.000 1.029 512 S CA 0.845 59.051 58.200 0.011 0.000 0.978 512 S CB -0.188 63.014 63.200 0.003 0.000 0.833 512 S HN 0.499 nan 8.310 nan 0.000 0.466 513 K N 1.508 121.936 120.400 0.045 0.000 2.032 513 K HA -0.165 4.155 4.320 0.001 0.000 0.209 513 K C 1.889 178.544 176.600 0.091 0.000 1.048 513 K CA 1.565 57.887 56.287 0.058 0.000 0.927 513 K CB -0.173 32.367 32.500 0.067 0.000 0.712 513 K HN 0.362 nan 8.250 nan 0.000 0.441 514 E N -0.034 120.248 120.200 0.136 0.000 2.077 514 E HA -0.181 4.170 4.350 0.001 0.000 0.193 514 E C 1.999 178.671 176.600 0.120 0.000 0.989 514 E CA 1.004 57.541 56.400 0.229 0.000 0.800 514 E CB -0.134 29.746 29.700 0.300 0.000 0.746 514 E HN 0.469 nan 8.360 nan 0.000 0.452 515 A N 1.355 124.223 122.820 0.079 0.000 1.908 515 A HA -0.271 4.049 4.320 0.001 0.000 0.218 515 A C 2.081 179.712 177.584 0.079 0.000 1.181 515 A CA 1.927 54.002 52.037 0.063 0.000 0.627 515 A CB -0.418 18.585 19.000 0.005 0.000 0.818 515 A HN 0.167 nan 8.150 nan 0.000 0.445 516 E N 0.345 120.579 120.200 0.058 0.000 2.107 516 E HA -0.140 4.211 4.350 0.001 0.000 0.191 516 E C 1.324 177.898 176.600 -0.042 0.000 0.982 516 E CA 1.419 57.857 56.400 0.062 0.000 0.809 516 E CB -0.282 29.433 29.700 0.024 0.000 0.756 516 E HN 0.507 nan 8.360 nan 0.000 0.459 517 D N -0.030 120.339 120.400 -0.052 0.000 2.178 517 D HA -0.176 4.464 4.640 0.001 0.000 0.201 517 D C 1.874 177.901 176.300 -0.455 0.000 0.980 517 D CA 1.082 55.033 54.000 -0.081 0.000 0.842 517 D CB -0.258 40.626 40.800 0.140 0.000 0.948 517 D HN 0.338 nan 8.370 nan 0.000 0.472 518 M N -0.221 118.895 119.600 -0.806 0.000 2.099 518 M HA -0.188 4.293 4.480 0.001 0.000 0.262 518 M C 2.086 177.981 176.300 -0.676 0.000 1.067 518 M CA 1.174 55.678 55.300 -1.328 0.000 1.124 518 M CB 0.005 32.037 32.600 -0.947 0.000 1.353 518 M HN -0.058 nan 8.290 nan 0.000 0.410 519 M N 0.475 119.799 119.600 -0.460 0.000 2.080 519 M HA -0.172 4.308 4.480 0.001 0.000 0.260 519 M C 1.782 177.876 176.300 -0.343 0.000 1.068 519 M CA 2.452 57.488 55.300 -0.441 0.000 1.109 519 M CB -1.039 31.382 32.600 -0.299 0.000 1.342 519 M HN 0.281 nan 8.290 nan 0.000 0.405 520 T N 0.074 114.493 114.554 -0.225 0.000 2.720 520 T HA -0.183 4.167 4.350 0.001 0.000 0.268 520 T C 1.504 176.134 174.700 -0.117 0.000 1.037 520 T CA 1.866 63.886 62.100 -0.134 0.000 1.144 520 T CB -0.644 68.190 68.868 -0.057 0.000 0.864 520 T HN 0.550 nan 8.240 nan 0.000 0.444 521 D N 0.465 120.799 120.400 -0.111 0.000 2.117 521 D HA -0.068 4.572 4.640 0.001 0.000 0.197 521 D C 2.042 178.340 176.300 -0.004 0.000 0.987 521 D CA 0.878 54.938 54.000 0.100 0.000 0.829 521 D CB -0.220 40.795 40.800 0.358 0.000 0.961 521 D HN 0.298 nan 8.370 nan 0.000 0.460 522 M N -0.546 118.789 119.600 -0.441 0.000 2.175 522 M HA -0.139 4.341 4.480 0.001 0.000 0.264 522 M C 1.857 177.854 176.300 -0.505 0.000 1.063 522 M CA 1.147 55.907 55.300 -0.900 0.000 1.119 522 M CB -0.099 31.667 32.600 -1.390 0.000 1.377 522 M HN 0.195 nan 8.290 nan 0.000 0.415 523 C N -0.315 118.799 119.300 -0.310 0.000 2.432 523 C HA -0.106 4.354 4.460 0.001 0.000 0.277 523 C C 2.666 177.559 174.990 -0.162 0.000 1.249 523 C CA 0.797 59.737 59.018 -0.130 0.000 1.725 523 C CB -1.005 26.714 27.740 -0.035 0.000 2.028 523 C HN 0.473 nan 8.230 nan 0.000 0.477 524 V N 0.570 120.422 119.914 -0.104 0.000 2.307 524 V HA -0.288 3.832 4.120 0.001 0.000 0.245 524 V C 2.418 178.487 176.094 -0.041 0.000 1.045 524 V CA 2.269 64.537 62.300 -0.053 0.000 1.024 524 V CB -0.671 31.173 31.823 0.035 0.000 0.651 524 V HN 0.573 nan 8.190 nan 0.000 0.449 525 M N 0.754 120.381 119.600 0.046 0.000 2.086 525 M HA -0.180 4.300 4.480 0.001 0.000 0.261 525 M C 2.465 178.664 176.300 -0.169 0.000 1.067 525 M CA 2.428 57.833 55.300 0.175 0.000 1.116 525 M CB -0.221 32.648 32.600 0.447 0.000 1.348 525 M HN 0.553 nan 8.290 nan 0.000 0.407 526 S N 0.343 115.628 115.700 -0.691 0.000 2.423 526 S HA -0.041 4.430 4.470 0.001 0.000 0.231 526 S C 1.962 176.182 174.600 -0.634 0.000 1.014 526 S CA 0.917 58.314 58.200 -1.338 0.000 0.965 526 S CB -0.790 61.269 63.200 -1.901 0.000 0.785 526 S HN 0.564 nan 8.310 nan 0.000 0.495 527 A N 1.981 124.523 122.820 -0.464 0.000 2.070 527 A HA -0.023 4.298 4.320 0.001 0.000 0.220 527 A C 2.190 179.644 177.584 -0.217 0.000 1.159 527 A CA 1.363 53.180 52.037 -0.366 0.000 0.656 527 A CB -0.544 18.268 19.000 -0.313 0.000 0.800 527 A HN 0.635 nan 8.150 nan 0.000 0.453 528 K N -0.672 119.641 120.400 -0.144 0.000 2.288 528 K HA 0.007 4.327 4.320 0.001 0.000 0.201 528 K C 1.233 177.815 176.600 -0.031 0.000 1.048 528 K CA 0.861 57.106 56.287 -0.069 0.000 0.956 528 K CB -0.046 32.445 32.500 -0.014 0.000 0.746 528 K HN 0.412 nan 8.250 nan 0.000 0.461 529 I N -0.621 119.947 120.570 -0.003 0.000 3.081 529 I HA 0.129 4.299 4.170 0.001 0.000 0.274 529 I C 1.142 177.266 176.117 0.011 0.000 1.178 529 I CA 0.582 61.926 61.300 0.073 0.000 1.460 529 I CB -0.033 38.136 38.000 0.283 0.000 1.137 529 I HN 0.117 nan 8.210 nan 0.000 0.443 530 G N -0.628 108.127 108.800 -0.076 0.000 2.313 530 G HA2 0.421 4.382 3.960 0.001 0.000 0.296 530 G HA3 0.421 4.382 3.960 0.001 0.000 0.296 530 G C -0.589 174.168 174.900 -0.238 0.000 1.356 530 G CA -0.232 44.802 45.100 -0.111 0.000 0.833 530 G HN 0.280 nan 8.290 nan 0.000 0.552 531 G N -1.169 107.492 108.800 -0.232 0.000 2.599 531 G HA2 0.563 4.523 3.960 0.001 0.000 0.264 531 G HA3 0.563 4.523 3.960 0.001 0.000 0.264 531 G C -0.261 174.466 174.900 -0.289 0.000 1.200 531 G CA -0.519 44.365 45.100 -0.361 0.000 0.896 531 G HN 0.473 nan 8.290 nan 0.000 0.536 532 F N -0.792 119.065 119.950 -0.155 0.000 2.506 532 F HA 0.227 4.754 4.527 0.001 0.000 0.351 532 F C 0.661 176.400 175.800 -0.101 0.000 1.136 532 F CA -0.754 57.149 58.000 -0.161 0.000 1.298 532 F CB 0.745 39.641 39.000 -0.173 0.000 1.145 532 F HN 0.156 nan 8.300 nan 0.000 0.593 533 L N 5.903 127.191 121.223 0.109 0.000 2.315 533 L HA 0.439 4.779 4.340 0.001 0.000 0.283 533 L C -2.431 174.478 176.870 0.065 0.000 1.089 533 L CA -2.106 52.771 54.840 0.062 0.000 0.833 533 L CB 0.148 42.235 42.059 0.045 0.000 1.170 533 L HN 0.271 nan 8.230 nan 0.000 0.442 534 P HA 0.222 nan 4.420 nan 0.000 0.265 534 P C 0.636 177.982 177.300 0.077 0.000 1.193 534 P CA 0.897 64.032 63.100 0.057 0.000 0.765 534 P CB 0.702 32.431 31.700 0.049 0.000 0.823 535 G N 1.821 110.662 108.800 0.069 0.000 2.217 535 G HA2 -0.233 3.727 3.960 0.001 0.000 0.246 535 G HA3 -0.233 3.727 3.960 0.001 0.000 0.246 535 G C 0.486 175.469 174.900 0.139 0.000 0.990 535 G CA 0.212 45.375 45.100 0.105 0.000 0.627 535 G HN 0.529 nan 8.290 nan 0.000 0.522 536 S N 0.827 116.581 115.700 0.091 0.000 2.474 536 S HA 0.526 4.997 4.470 0.001 0.000 0.224 536 S C 0.454 174.979 174.600 -0.125 0.000 1.209 536 S CA -0.533 57.709 58.200 0.070 0.000 1.212 536 S CB 0.256 63.471 63.200 0.025 0.000 1.137 536 S HN 0.460 nan 8.310 nan 0.000 0.446 537 L N 2.676 123.813 121.223 -0.143 0.000 2.466 537 L HA 0.385 4.725 4.340 0.001 0.000 0.257 537 L C -1.968 174.624 176.870 -0.464 0.000 1.189 537 L CA -2.260 52.364 54.840 -0.360 0.000 0.813 537 L CB 0.063 41.966 42.059 -0.259 0.000 1.118 537 L HN 0.084 nan 8.230 nan 0.000 0.471 538 P HA 0.017 nan 4.420 nan 0.000 0.267 538 P C -1.534 175.547 177.300 -0.364 0.000 1.209 538 P CA 0.063 62.791 63.100 -0.620 0.000 0.763 538 P CB 0.597 31.828 31.700 -0.782 0.000 0.816 539 Q N 1.899 121.529 119.800 -0.284 0.000 2.435 539 Q HA 0.479 4.820 4.340 0.001 0.000 0.282 539 Q C -1.432 174.434 176.000 -0.223 0.000 1.020 539 Q CA -0.908 54.806 55.803 -0.150 0.000 0.820 539 Q CB 0.802 29.522 28.738 -0.031 0.000 1.436 539 Q HN 0.118 nan 8.270 nan 0.000 0.395 540 F N 1.663 121.556 119.950 -0.095 0.000 2.443 540 F HA 0.290 4.817 4.527 0.000 0.000 0.353 540 F C 0.556 176.319 175.800 -0.062 0.000 1.101 540 F CA -0.304 57.640 58.000 -0.094 0.000 1.226 540 F CB 0.941 39.874 39.000 -0.111 0.000 1.140 540 F HN 0.403 nan 8.300 nan 0.000 0.557 541 M N 2.485 122.127 119.600 0.071 0.000 2.291 541 M HA 0.173 4.653 4.480 0.001 0.000 0.324 541 M C 0.119 176.452 176.300 0.056 0.000 1.148 541 M CA -0.854 54.458 55.300 0.021 0.000 1.104 541 M CB 0.520 33.085 32.600 -0.059 0.000 1.483 541 M HN 0.469 nan 8.290 nan 0.000 0.467 542 E N 1.269 121.478 120.200 0.013 0.000 2.452 542 E HA 0.134 4.484 4.350 0.001 0.000 0.261 542 E C -2.442 174.173 176.600 0.025 0.000 0.987 542 E CA -1.738 54.672 56.400 0.016 0.000 0.926 542 E CB -0.916 28.771 29.700 -0.021 0.000 0.934 542 E HN 0.259 nan 8.360 nan 0.000 0.452 543 P HA 0.026 nan 4.420 nan 0.000 0.258 543 P C 0.771 177.996 177.300 -0.124 0.000 1.187 543 P CA 1.339 64.474 63.100 0.058 0.000 0.767 543 P CB 0.211 31.933 31.700 0.036 0.000 0.770 544 G N 2.790 111.524 108.800 -0.110 0.000 2.175 544 G HA2 -0.311 3.649 3.960 0.001 0.000 0.244 544 G HA3 -0.311 3.649 3.960 0.001 0.000 0.244 544 G C 0.689 175.526 174.900 -0.105 0.000 0.982 544 G CA 0.143 45.132 45.100 -0.184 0.000 0.641 544 G HN 0.542 nan 8.290 nan 0.000 0.527 545 L N 0.781 121.959 121.223 -0.074 0.000 2.127 545 L HA 0.154 4.494 4.340 0.001 0.000 0.211 545 L C 2.724 179.558 176.870 -0.059 0.000 1.089 545 L CA 2.573 57.373 54.840 -0.066 0.000 0.757 545 L CB -0.309 41.703 42.059 -0.077 0.000 0.899 545 L HN 0.426 nan 8.230 nan 0.000 0.434 546 V N -0.025 119.850 119.914 -0.065 0.000 2.594 546 V HA -0.168 3.952 4.120 0.001 0.000 0.253 546 V C 1.515 177.530 176.094 -0.131 0.000 1.069 546 V CA 1.239 63.474 62.300 -0.108 0.000 1.082 546 V CB -0.347 31.423 31.823 -0.089 0.000 0.680 546 V HN 0.511 nan 8.190 nan 0.000 0.469 547 L N 0.110 121.324 121.223 -0.016 0.000 3.597 547 L HA -0.244 4.096 4.340 0.001 0.000 0.440 547 L C 0.255 177.289 176.870 0.274 0.000 1.277 547 L CA 0.816 55.716 54.840 0.101 0.000 0.852 547 L CB -2.499 39.648 42.059 0.146 0.000 1.708 547 L HN 0.562 nan 8.230 nan 0.000 0.885 548 H N -0.681 118.498 119.070 0.180 0.000 2.492 548 H HA 0.271 4.828 4.556 0.000 0.000 0.264 548 H C 0.500 175.971 175.328 0.238 0.000 1.150 548 H CA -1.121 55.078 56.048 0.252 0.000 0.962 548 H CB 0.751 30.706 29.762 0.323 0.000 1.766 548 H HN 0.201 nan 8.280 nan 0.000 0.589 549 L N 2.027 123.398 121.223 0.247 0.000 2.578 549 L HA 0.139 4.480 4.340 0.001 0.000 0.279 549 L C 0.637 177.651 176.870 0.241 0.000 1.227 549 L CA 0.870 55.807 54.840 0.161 0.000 0.900 549 L CB 0.225 42.345 42.059 0.101 0.000 1.144 549 L HN 0.325 nan 8.230 nan 0.000 0.496 550 G N 1.915 110.872 108.800 0.262 0.000 3.015 550 G HA2 0.545 4.505 3.960 0.001 0.000 0.281 550 G HA3 0.545 4.505 3.960 0.001 0.000 0.281 550 G C 0.363 175.374 174.900 0.185 0.000 1.386 550 G CA -0.309 44.955 45.100 0.274 0.000 0.959 550 G HN 1.362 nan 8.290 nan 0.000 0.522 551 G N -1.524 107.354 108.800 0.130 0.000 2.162 551 G HA2 -0.247 3.714 3.960 0.001 0.000 0.260 551 G HA3 -0.247 3.714 3.960 0.001 0.000 0.260 551 G C 1.337 176.306 174.900 0.116 0.000 0.976 551 G CA 1.683 46.866 45.100 0.138 0.000 0.655 551 G HN 1.847 nan 8.290 nan 0.000 0.533 552 T N -2.076 112.494 114.554 0.027 0.000 2.995 552 T HA 0.144 4.494 4.350 0.001 0.000 0.269 552 T C 1.043 175.823 174.700 0.133 0.000 1.091 552 T CA 1.831 63.982 62.100 0.085 0.000 1.128 552 T CB -0.250 68.670 68.868 0.086 0.000 0.891 552 T HN 1.517 nan 8.240 nan 0.000 0.492 553 H N -0.093 119.053 119.070 0.127 0.000 2.695 553 H HA 0.472 5.028 4.556 0.001 0.000 0.222 553 H C -0.168 175.207 175.328 0.079 0.000 1.412 553 H CA -1.353 54.747 56.048 0.087 0.000 1.347 553 H CB -0.255 29.521 29.762 0.023 0.000 1.858 553 H HN 0.352 nan 8.280 nan 0.000 0.519 554 R N 0.885 121.479 120.500 0.156 0.000 2.615 554 R HA 0.366 4.706 4.340 0.001 0.000 0.270 554 R C -0.407 175.961 176.300 0.112 0.000 1.081 554 R CA -0.815 55.348 56.100 0.105 0.000 1.154 554 R CB 1.083 31.436 30.300 0.088 0.000 1.063 554 R HN 0.462 nan 8.270 nan 0.000 0.519 555 M N 1.322 120.963 119.600 0.068 0.000 2.274 555 M HA 0.423 4.903 4.480 0.001 0.000 0.344 555 M C -0.462 175.843 176.300 0.008 0.000 1.161 555 M CA 0.297 55.612 55.300 0.025 0.000 1.126 555 M CB 1.482 34.069 32.600 -0.022 0.000 1.522 555 M HN 0.970 nan 8.290 nan 0.000 0.461 556 G N 2.173 110.982 108.800 0.015 0.000 2.548 556 G HA2 0.392 4.353 3.960 0.001 0.000 0.301 556 G HA3 0.392 4.353 3.960 0.001 0.000 0.301 556 G C -0.951 173.952 174.900 0.005 0.000 1.349 556 G CA -0.661 44.413 45.100 -0.042 0.000 0.792 556 G HN 0.657 nan 8.290 nan 0.000 0.481 557 F N -0.089 119.970 119.950 0.183 0.000 2.335 557 F HA 0.296 4.824 4.527 0.001 0.000 0.296 557 F C 1.027 176.957 175.800 0.218 0.000 1.091 557 F CA 1.053 59.164 58.000 0.186 0.000 1.399 557 F CB 0.512 39.573 39.000 0.103 0.000 1.067 557 F HN 0.384 nan 8.300 nan 0.000 0.520 558 D N -1.015 119.526 120.400 0.235 0.000 2.863 558 D HA 0.120 4.761 4.640 0.001 0.000 0.245 558 D C 0.653 176.746 176.300 -0.346 0.000 1.211 558 D CA -0.253 53.703 54.000 -0.073 0.000 0.888 558 D CB 1.302 42.104 40.800 0.003 0.000 1.483 558 D HN 0.058 nan 8.370 nan 0.000 0.533 559 E N 3.077 122.725 120.200 -0.920 0.000 2.070 559 E HA -0.268 4.082 4.350 0.001 0.000 0.197 559 E C 1.332 177.778 176.600 -0.257 0.000 1.004 559 E CA 1.193 57.150 56.400 -0.738 0.000 0.805 559 E CB 0.276 29.478 29.700 -0.829 0.000 0.744 559 E HN 0.441 nan 8.360 nan 0.000 0.451 560 K N 0.358 120.639 120.400 -0.199 0.000 2.044 560 K HA -0.156 4.164 4.320 0.001 0.000 0.204 560 K C 2.199 178.770 176.600 -0.048 0.000 1.049 560 K CA 1.315 57.551 56.287 -0.084 0.000 0.945 560 K CB -0.065 32.397 32.500 -0.063 0.000 0.724 560 K HN 0.061 nan 8.250 nan 0.000 0.440 561 E N 0.121 120.293 120.200 -0.048 0.000 2.106 561 E HA -0.161 4.189 4.350 0.001 0.000 0.192 561 E C 0.533 177.133 176.600 0.000 0.000 0.984 561 E CA 1.281 57.676 56.400 -0.008 0.000 0.806 561 E CB 0.238 29.945 29.700 0.011 0.000 0.750 561 E HN 0.310 nan 8.360 nan 0.000 0.458 562 D N -0.081 120.314 120.400 -0.009 0.000 2.363 562 D HA 0.046 4.687 4.640 0.001 0.000 0.214 562 D C -0.591 175.652 176.300 -0.096 0.000 1.093 562 D CA 0.023 54.015 54.000 -0.013 0.000 0.837 562 D CB 0.034 40.867 40.800 0.055 0.000 0.948 562 D HN 0.171 nan 8.370 nan 0.000 0.507 563 N N 0.483 119.127 118.700 -0.093 0.000 2.696 563 N HA -0.185 4.555 4.740 0.001 0.000 0.256 563 N C -0.219 175.224 175.510 -0.112 0.000 1.031 563 N CA 0.569 53.543 53.050 -0.126 0.000 0.730 563 N CB -1.431 36.861 38.487 -0.324 0.000 0.894 563 N HN 0.415 nan 8.380 nan 0.000 0.544 564 C N -3.657 115.654 119.300 0.019 0.000 3.336 564 C HA 0.801 5.261 4.460 0.001 0.000 0.352 564 C C 1.306 176.465 174.990 0.282 0.000 1.567 564 C CA -0.526 58.570 59.018 0.129 0.000 1.328 564 C CB 1.593 29.423 27.740 0.150 0.000 1.922 564 C HN 0.456 nan 8.230 nan 0.000 0.439 565 C N 0.106 119.610 119.300 0.340 0.000 3.095 565 C HA 0.520 4.981 4.460 0.001 0.000 0.472 565 C C 0.582 175.709 174.990 0.228 0.000 1.348 565 C CA 0.685 59.904 59.018 0.336 0.000 2.206 565 C CB -0.179 27.688 27.740 0.213 0.000 3.088 565 C HN 1.002 nan 8.230 nan 0.000 0.599 566 V N 1.416 121.352 119.914 0.038 0.000 2.962 566 V HA 0.727 4.847 4.120 0.001 0.000 0.313 566 V C -0.818 174.970 176.094 -0.511 0.000 1.099 566 V CA -0.583 61.507 62.300 -0.351 0.000 0.971 566 V CB 1.610 33.333 31.823 -0.167 0.000 1.028 566 V HN 0.411 nan 8.190 nan 0.000 0.430 567 N N 0.965 119.196 118.700 -0.780 0.000 2.431 567 N HA 0.275 5.015 4.740 0.001 0.000 0.289 567 N C 1.015 176.375 175.510 -0.249 0.000 1.277 567 N CA 0.256 53.043 53.050 -0.440 0.000 0.972 567 N CB 0.007 38.244 38.487 -0.417 0.000 1.143 567 N HN 0.942 nan 8.380 nan 0.000 0.578 568 T N -4.662 109.774 114.554 -0.195 0.000 3.118 568 T HA 0.028 4.379 4.350 0.001 0.000 0.260 568 T C 0.095 174.704 174.700 -0.151 0.000 1.139 568 T CA 0.553 62.537 62.100 -0.192 0.000 1.085 568 T CB -0.380 68.369 68.868 -0.198 0.000 0.934 568 T HN 0.431 nan 8.240 nan 0.000 0.518 569 D N 1.114 121.423 120.400 -0.152 0.000 2.328 569 D HA 0.180 4.821 4.640 0.001 0.000 0.221 569 D C 0.565 176.859 176.300 -0.009 0.000 1.072 569 D CA 0.112 54.041 54.000 -0.118 0.000 0.850 569 D CB 0.099 40.725 40.800 -0.290 0.000 0.922 569 D HN 0.333 nan 8.370 nan 0.000 0.516 570 S N 0.188 115.858 115.700 -0.051 0.000 3.476 570 S HA -0.253 4.218 4.470 0.001 0.000 0.309 570 S C 0.539 175.167 174.600 0.046 0.000 1.222 570 S CA 0.447 58.661 58.200 0.024 0.000 0.922 570 S CB -1.330 61.945 63.200 0.124 0.000 1.023 570 S HN 0.467 nan 8.310 nan 0.000 0.591 571 R N 1.185 121.608 120.500 -0.128 0.000 2.297 571 R HA 0.475 4.815 4.340 0.001 0.000 0.308 571 R C -0.054 175.984 176.300 -0.438 0.000 1.029 571 R CA -0.441 55.416 56.100 -0.406 0.000 0.929 571 R CB 0.705 30.733 30.300 -0.452 0.000 1.046 571 R HN 0.131 nan 8.270 nan 0.000 0.461 572 V N 6.119 125.801 119.914 -0.388 0.000 2.529 572 V HA -0.005 4.115 4.120 0.001 0.000 0.292 572 V C 0.240 176.321 176.094 -0.023 0.000 1.028 572 V CA 0.257 62.429 62.300 -0.212 0.000 1.074 572 V CB -0.203 31.498 31.823 -0.203 0.000 0.958 572 V HN 0.566 nan 8.190 nan 0.000 0.481 573 F N 3.928 123.945 119.950 0.112 0.000 2.608 573 F HA 0.402 4.930 4.527 0.001 0.000 0.380 573 F C 1.566 177.475 175.800 0.183 0.000 1.083 573 F CA 1.593 59.662 58.000 0.116 0.000 1.266 573 F CB 0.129 39.188 39.000 0.098 0.000 1.076 573 F HN 0.791 nan 8.300 nan 0.000 0.574 574 G N 2.296 111.258 108.800 0.271 0.000 2.268 574 G HA2 -0.300 3.660 3.960 0.001 0.000 0.240 574 G HA3 -0.300 3.660 3.960 0.001 0.000 0.240 574 G C -0.036 174.788 174.900 -0.127 0.000 1.010 574 G CA -0.403 44.730 45.100 0.055 0.000 0.618 574 G HN 0.435 nan 8.290 nan 0.000 0.516 575 F N 1.411 121.378 119.950 0.029 0.000 2.420 575 F HA 0.571 5.099 4.527 0.001 0.000 0.342 575 F C 1.526 177.303 175.800 -0.039 0.000 1.113 575 F CA -0.708 57.290 58.000 -0.005 0.000 1.059 575 F CB 1.621 40.609 39.000 -0.020 0.000 1.128 575 F HN -0.144 nan 8.300 nan 0.000 0.475 576 K N 1.380 121.885 120.400 0.175 0.000 2.217 576 K HA -0.068 4.253 4.320 0.001 0.000 0.202 576 K C 0.658 177.452 176.600 0.323 0.000 1.051 576 K CA 1.099 57.524 56.287 0.230 0.000 0.952 576 K CB 0.012 32.656 32.500 0.238 0.000 0.736 576 K HN 0.607 nan 8.250 nan 0.000 0.453 577 N N 0.104 118.923 118.700 0.199 0.000 2.307 577 N HA 0.032 4.772 4.740 0.001 0.000 0.248 577 N C -0.731 174.765 175.510 -0.025 0.000 1.322 577 N CA -0.317 52.853 53.050 0.201 0.000 0.861 577 N CB 0.051 38.750 38.487 0.355 0.000 1.303 577 N HN -0.036 nan 8.380 nan 0.000 0.498 578 L N 0.603 121.597 121.223 -0.381 0.000 2.356 578 L HA 0.711 5.051 4.340 0.001 0.000 0.277 578 L C -1.807 174.596 176.870 -0.778 0.000 0.996 578 L CA -0.613 53.998 54.840 -0.381 0.000 0.822 578 L CB 0.974 42.812 42.059 -0.369 0.000 1.256 578 L HN -0.030 nan 8.230 nan 0.000 0.413 579 F N 4.937 124.796 119.950 -0.151 0.000 2.551 579 F HA 0.657 5.184 4.527 0.000 0.000 0.316 579 F C -0.601 175.042 175.800 -0.262 0.000 1.089 579 F CA -0.681 57.215 58.000 -0.174 0.000 0.915 579 F CB 1.886 40.813 39.000 -0.121 0.000 1.186 579 F HN 0.206 nan 8.300 nan 0.000 0.456 580 L N 2.124 123.296 121.223 -0.085 0.000 2.346 580 L HA 0.855 5.196 4.340 0.001 0.000 0.276 580 L C 0.099 176.968 176.870 -0.001 0.000 1.006 580 L CA -0.775 53.944 54.840 -0.202 0.000 0.817 580 L CB 1.807 43.583 42.059 -0.472 0.000 1.272 580 L HN 0.777 nan 8.230 nan 0.000 0.421 581 G N 0.472 109.284 108.800 0.020 0.000 2.481 581 G HA2 0.808 4.768 3.960 0.001 0.000 0.315 581 G HA3 0.808 4.768 3.960 0.001 0.000 0.315 581 G C -0.472 174.547 174.900 0.197 0.000 1.231 581 G CA -0.328 44.894 45.100 0.203 0.000 0.968 581 G HN 0.958 nan 8.290 nan 0.000 0.482 582 G N -1.369 107.541 108.800 0.183 0.000 2.354 582 G HA2 0.075 4.036 3.960 0.001 0.000 0.582 582 G HA3 0.075 4.036 3.960 0.001 0.000 0.582 582 G C 0.753 175.702 174.900 0.082 0.000 1.316 582 G CA 0.023 45.204 45.100 0.135 0.000 0.995 582 G HN 1.174 nan 8.290 nan 0.000 0.573 583 C N 0.486 119.814 119.300 0.046 0.000 2.409 583 C HA 0.170 4.630 4.460 0.001 0.000 0.284 583 C C 3.007 177.982 174.990 -0.024 0.000 1.354 583 C CA 1.803 60.831 59.018 0.017 0.000 1.787 583 C CB -1.338 26.449 27.740 0.079 0.000 1.900 583 C HN 1.287 nan 8.230 nan 0.000 0.520 584 G N 1.082 109.786 108.800 -0.159 0.000 2.470 584 G HA2 -0.192 3.768 3.960 0.001 0.000 0.220 584 G HA3 -0.192 3.768 3.960 0.001 0.000 0.220 584 G C 1.414 175.975 174.900 -0.564 0.000 1.121 584 G CA 0.622 45.398 45.100 -0.540 0.000 0.766 584 G HN 0.560 nan 8.290 nan 0.000 0.553 585 N N 0.403 118.971 118.700 -0.220 0.000 2.396 585 N HA 0.021 4.762 4.740 0.001 0.000 0.180 585 N C 0.911 176.434 175.510 0.022 0.000 1.028 585 N CA 0.141 53.201 53.050 0.017 0.000 0.893 585 N CB 0.058 38.610 38.487 0.107 0.000 0.967 585 N HN 0.309 nan 8.380 nan 0.000 0.440 586 I N 3.111 123.690 120.570 0.014 0.000 2.505 586 I HA 0.023 4.193 4.170 0.001 0.000 0.287 586 I C -1.364 174.842 176.117 0.147 0.000 1.104 586 I CA -0.916 60.416 61.300 0.053 0.000 1.387 586 I CB 1.017 38.971 38.000 -0.076 0.000 1.404 586 I HN -0.074 nan 8.210 nan 0.000 0.528 587 P HA 0.067 nan 4.420 nan 0.000 0.267 587 P C 0.193 177.592 177.300 0.166 0.000 1.289 587 P CA 0.190 63.369 63.100 0.132 0.000 0.866 587 P CB 0.216 31.955 31.700 0.066 0.000 1.309 588 T N -2.695 111.996 114.554 0.229 0.000 2.936 588 T HA 0.704 5.055 4.350 0.001 0.000 0.282 588 T C 0.084 174.944 174.700 0.267 0.000 1.003 588 T CA -0.939 61.286 62.100 0.207 0.000 1.005 588 T CB 1.374 70.341 68.868 0.166 0.000 1.097 588 T HN 0.039 nan 8.240 nan 0.000 0.532 589 A N 2.003 124.910 122.820 0.144 0.000 2.350 589 A HA 0.586 4.906 4.320 0.001 0.000 0.293 589 A C -0.593 176.983 177.584 -0.013 0.000 1.231 589 A CA -0.773 51.298 52.037 0.056 0.000 0.883 589 A CB -1.098 17.951 19.000 0.081 0.000 1.133 589 A HN 0.877 nan 8.150 nan 0.000 0.533 590 Y N -0.326 119.898 120.300 -0.126 0.000 2.477 590 Y HA 0.717 5.267 4.550 0.000 0.000 0.347 590 Y C 0.717 176.501 175.900 -0.194 0.000 0.981 590 Y CA -0.727 57.114 58.100 -0.431 0.000 1.033 590 Y CB 1.395 39.384 38.460 -0.785 0.000 1.245 590 Y HN 0.356 nan 8.280 nan 0.000 0.455 591 G N 0.747 109.468 108.800 -0.132 0.000 2.673 591 G HA2 0.384 4.345 3.960 0.001 0.000 0.208 591 G HA3 0.384 4.345 3.960 0.001 0.000 0.208 591 G C 0.459 175.446 174.900 0.145 0.000 1.128 591 G CA 0.179 45.391 45.100 0.186 0.000 0.805 591 G HN 0.957 nan 8.290 nan 0.000 0.526 592 A N 0.722 123.449 122.820 -0.155 0.000 2.346 592 A HA 0.471 4.791 4.320 0.001 0.000 0.252 592 A C -0.072 177.417 177.584 -0.157 0.000 1.089 592 A CA -0.448 51.365 52.037 -0.373 0.000 0.797 592 A CB 0.029 18.795 19.000 -0.390 0.000 1.047 592 A HN 0.374 nan 8.150 nan 0.000 0.494 593 N N 1.725 120.219 118.700 -0.343 0.000 2.483 593 N HA 0.264 5.005 4.740 0.001 0.000 0.264 593 N C -2.050 173.399 175.510 -0.101 0.000 1.197 593 N CA -0.909 51.932 53.050 -0.347 0.000 0.927 593 N CB 0.511 38.864 38.487 -0.224 0.000 1.065 593 N HN 0.410 nan 8.380 nan 0.000 0.461 594 P HA 0.007 nan 4.420 nan 0.000 0.245 594 P C 0.436 177.653 177.300 -0.138 0.000 1.206 594 P CA 0.594 63.634 63.100 -0.101 0.000 0.781 594 P CB 0.339 31.966 31.700 -0.121 0.000 0.994 595 T N 0.922 115.466 114.554 -0.016 0.000 2.746 595 T HA -0.127 4.223 4.350 0.001 0.000 0.267 595 T C 1.761 176.545 174.700 0.140 0.000 1.039 595 T CA 0.949 63.088 62.100 0.064 0.000 1.142 595 T CB -0.845 68.080 68.868 0.095 0.000 0.866 595 T HN 0.018 nan 8.240 nan 0.000 0.444 596 L N 1.069 122.403 121.223 0.185 0.000 2.042 596 L HA -0.128 4.212 4.340 0.001 0.000 0.210 596 L C 2.519 179.465 176.870 0.127 0.000 1.076 596 L CA 1.762 56.755 54.840 0.254 0.000 0.749 596 L CB -1.006 41.194 42.059 0.235 0.000 0.893 596 L HN 0.206 nan 8.230 nan 0.000 0.432 597 T N -0.522 113.975 114.554 -0.095 0.000 2.777 597 T HA -0.130 4.221 4.350 0.001 0.000 0.266 597 T C 1.915 176.524 174.700 -0.151 0.000 1.040 597 T CA 1.201 63.146 62.100 -0.258 0.000 1.141 597 T CB -0.483 67.812 68.868 -0.955 0.000 0.868 597 T HN 0.526 nan 8.240 nan 0.000 0.444 598 A N 1.676 124.413 122.820 -0.138 0.000 1.883 598 A HA -0.143 4.177 4.320 0.001 0.000 0.217 598 A C 2.324 179.875 177.584 -0.054 0.000 1.186 598 A CA 2.058 54.056 52.037 -0.064 0.000 0.624 598 A CB -0.790 18.195 19.000 -0.025 0.000 0.822 598 A HN 0.538 nan 8.150 nan 0.000 0.444 599 M N -0.293 119.284 119.600 -0.037 0.000 2.117 599 M HA -0.150 4.330 4.480 0.001 0.000 0.262 599 M C 2.146 178.359 176.300 -0.145 0.000 1.065 599 M CA 2.168 57.419 55.300 -0.082 0.000 1.114 599 M CB -0.171 32.387 32.600 -0.069 0.000 1.361 599 M HN 0.379 nan 8.290 nan 0.000 0.408 600 S N 1.138 116.755 115.700 -0.140 0.000 2.370 600 S HA -0.132 4.338 4.470 0.001 0.000 0.226 600 S C 1.754 176.169 174.600 -0.308 0.000 1.033 600 S CA 1.473 59.526 58.200 -0.247 0.000 1.011 600 S CB -0.553 62.450 63.200 -0.328 0.000 0.852 600 S HN 0.519 nan 8.310 nan 0.000 0.457 601 L N 1.055 122.136 121.223 -0.238 0.000 2.083 601 L HA -0.117 4.223 4.340 0.001 0.000 0.209 601 L C 2.775 179.507 176.870 -0.230 0.000 1.083 601 L CA 1.131 55.827 54.840 -0.239 0.000 0.752 601 L CB -0.690 41.299 42.059 -0.117 0.000 0.899 601 L HN 0.324 nan 8.230 nan 0.000 0.433 602 A N 0.355 123.037 122.820 -0.231 0.000 1.933 602 A HA -0.165 4.156 4.320 0.001 0.000 0.218 602 A C 2.219 179.479 177.584 -0.539 0.000 1.175 602 A CA 1.385 53.169 52.037 -0.421 0.000 0.628 602 A CB -0.623 18.128 19.000 -0.415 0.000 0.814 602 A HN 0.345 nan 8.150 nan 0.000 0.444 603 I N -0.500 119.848 120.570 -0.369 0.000 2.208 603 I HA -0.300 3.870 4.170 0.001 0.000 0.245 603 I C 2.541 178.488 176.117 -0.283 0.000 1.097 603 I CA 1.993 63.109 61.300 -0.305 0.000 1.363 603 I CB -0.241 37.599 38.000 -0.266 0.000 1.051 603 I HN 0.377 nan 8.210 nan 0.000 0.413 604 K N 0.477 120.708 120.400 -0.282 0.000 2.057 604 K HA -0.207 4.113 4.320 0.001 0.000 0.207 604 K C 2.363 178.866 176.600 -0.162 0.000 1.049 604 K CA 1.723 57.874 56.287 -0.227 0.000 0.931 604 K CB -0.117 32.217 32.500 -0.277 0.000 0.714 604 K HN 0.124 nan 8.250 nan 0.000 0.440 605 S N -0.047 115.536 115.700 -0.196 0.000 2.356 605 S HA -0.177 4.294 4.470 0.001 0.000 0.223 605 S C 2.069 176.551 174.600 -0.197 0.000 1.032 605 S CA 1.495 59.610 58.200 -0.141 0.000 1.005 605 S CB -0.552 62.595 63.200 -0.088 0.000 0.867 605 S HN 0.577 nan 8.310 nan 0.000 0.449 606 C N 1.523 120.627 119.300 -0.328 0.000 2.413 606 C HA -0.055 4.406 4.460 0.001 0.000 0.277 606 C C 2.549 177.454 174.990 -0.141 0.000 1.265 606 C CA 0.966 59.821 59.018 -0.273 0.000 1.752 606 C CB -1.556 25.990 27.740 -0.323 0.000 1.998 606 C HN 0.687 nan 8.230 nan 0.000 0.489 607 E N -0.729 119.407 120.200 -0.107 0.000 2.051 607 E HA -0.258 4.093 4.350 0.001 0.000 0.192 607 E C 1.882 178.481 176.600 -0.001 0.000 0.991 607 E CA 1.601 57.971 56.400 -0.050 0.000 0.799 607 E CB -0.347 29.317 29.700 -0.061 0.000 0.748 607 E HN 0.825 nan 8.360 nan 0.000 0.449 608 Y N 1.319 121.573 120.300 -0.075 0.000 2.128 608 Y HA -0.243 4.307 4.550 0.000 0.000 0.284 608 Y C 2.023 177.944 175.900 0.036 0.000 1.154 608 Y CA 1.604 59.700 58.100 -0.007 0.000 1.149 608 Y CB -0.166 38.315 38.460 0.035 0.000 0.976 608 Y HN -0.053 nan 8.280 nan 0.000 0.505 609 I N 0.354 120.964 120.570 0.067 0.000 2.208 609 I HA -0.367 3.803 4.170 0.001 0.000 0.245 609 I C 2.361 178.547 176.117 0.114 0.000 1.097 609 I CA 1.785 63.118 61.300 0.056 0.000 1.363 609 I CB -0.436 37.381 38.000 -0.304 0.000 1.051 609 I HN 0.182 nan 8.210 nan 0.000 0.413 610 K N 0.360 120.788 120.400 0.046 0.000 2.147 610 K HA -0.215 4.105 4.320 0.001 0.000 0.205 610 K C 2.036 178.675 176.600 0.064 0.000 1.049 610 K CA 1.332 57.702 56.287 0.139 0.000 0.936 610 K CB -0.140 32.414 32.500 0.089 0.000 0.722 610 K HN 0.440 nan 8.250 nan 0.000 0.446 611 Q N -0.237 119.532 119.800 -0.053 0.000 2.435 611 Q HA 0.024 4.364 4.340 0.001 0.000 0.207 611 Q C 0.916 176.801 176.000 -0.192 0.000 0.956 611 Q CA 0.619 56.348 55.803 -0.122 0.000 0.917 611 Q CB 0.339 28.976 28.738 -0.170 0.000 0.997 611 Q HN 0.289 nan 8.270 nan 0.000 0.497 612 N N -1.282 117.290 118.700 -0.213 0.000 2.113 612 N HA 0.142 4.882 4.740 0.001 0.000 0.223 612 N C -0.965 174.232 175.510 -0.522 0.000 1.310 612 N CA 0.187 52.991 53.050 -0.410 0.000 0.896 612 N CB 1.086 39.156 38.487 -0.694 0.000 1.097 612 N HN 0.001 nan 8.380 nan 0.000 0.507 613 F N 0.911 120.892 119.950 0.051 0.000 2.556 613 F HA 0.353 4.880 4.527 0.001 0.000 0.314 613 F C 0.119 176.047 175.800 0.212 0.000 1.106 613 F CA -0.604 57.482 58.000 0.143 0.000 0.911 613 F CB 1.893 40.993 39.000 0.167 0.000 1.190 613 F HN -0.364 nan 8.300 nan 0.000 0.448 614 T N 3.892 118.612 114.554 0.277 0.000 2.799 614 T HA 0.395 4.745 4.350 0.001 0.000 0.286 614 T C -2.514 172.225 174.700 0.065 0.000 0.973 614 T CA -1.449 60.717 62.100 0.111 0.000 1.035 614 T CB 1.066 69.959 68.868 0.042 0.000 0.932 614 T HN 0.142 nan 8.240 nan 0.000 0.469 615 P HA 0.108 nan 4.420 nan 0.000 0.267 615 P C -0.004 177.244 177.300 -0.087 0.000 1.200 615 P CA -0.314 62.584 63.100 -0.336 0.000 0.772 615 P CB 0.313 31.674 31.700 -0.565 0.000 0.855 616 S N 2.844 118.529 115.700 -0.025 0.000 2.593 616 S HA 0.416 4.886 4.470 0.001 0.000 0.269 616 S C -2.304 172.285 174.600 -0.018 0.000 1.334 616 S CA -1.062 57.132 58.200 -0.010 0.000 1.015 616 S CB -0.510 62.685 63.200 -0.009 0.000 0.912 616 S HN 0.231 nan 8.310 nan 0.000 0.541 617 P HA 0.297 nan 4.420 nan 0.000 0.275 617 P C -0.368 176.978 177.300 0.076 0.000 1.227 617 P CA -0.577 62.548 63.100 0.041 0.000 0.781 617 P CB 0.208 31.930 31.700 0.036 0.000 0.906 618 F N 0.000 119.936 119.950 -0.023 0.000 2.286 618 F HA 0.000 4.527 4.527 0.000 0.000 0.279 618 F CA 0.000 57.991 58.000 -0.015 0.000 1.383 618 F CB 0.000 38.992 39.000 -0.013 0.000 1.145 618 F HN 0.000 nan 8.300 nan 0.000 0.574