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 1sj2_1_A DATA FIRST_RESID 24 DATA SEQUENCE GHMKYPVEGG GNQDWWPNRL NLKVLHQNPA VADPMGAAFD YAAEVATIDV DATA SEQUENCE DALTRDIEEV MTTSQPWWPA DYGHYGPLFI RMAWHAAGTY RIHDGRGGAG DATA SEQUENCE GGMQRFAPLN SWPDNASLDK ARRLLWPVKK KYGKKLSWAD LIVFAGNCAL DATA SEQUENCE ESMGFKTFGF GFGRVDQWEP DEVYWGKEAT WLGDERYSGK RDLENPLAAV DATA SEQUENCE QMGLIYVNPE GPNGNPDPMA AAVDIRETFR RMAMNDVETA ALIVGGHTFG DATA SEQUENCE KTHGAGPADL VGPEPEAAPL EQMGLGWKSS YGTGTGKDAI TSGIEVVWTN DATA SEQUENCE TPTKWDNSFL EILYGYEWEL TKSPAGAWQY TAKDGAGAGT IPDPFGGPGR DATA SEQUENCE SPTMLATDLS LRVDPIYERI TRRWLEHPEE LADEFAKAWY KLIHRDMGPV DATA SEQUENCE ARYLGPLVPK QTLLWQDPVP AVSHDLVGEA EIASLKSQIR ASGLTVSQLV DATA SEQUENCE STAWAAASSF RGSDKRGGAN GGRIRLQPQV GWEVNDPDGD LRKVIRTLEE DATA SEQUENCE IQESFNSAAP GNIKVSFADL VVLGGCAAIE KAAKAAGHNI TVPFTPGRTD DATA SEQUENCE ASQEQTDVES FAVLEPKADG FRNYLGKGNP LPAEYMLLDK ANLLTLSAPE DATA SEQUENCE MTVLVGGLRV LGANYKRLPL GVFTEASESL TNDFFVNLLD MGITWEPSPA DATA SEQUENCE DDGTYQGKDG SGKVKWTGSR VDLVFGSNSE LRALVEVYGA DDAQPKFVQD DATA SEQUENCE FVAAWDKVMN LDRFDVR 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 24 G HA2 0.000 nan 3.960 nan 0.000 0.244 24 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 24 G C 0.000 174.599 174.900 -0.502 0.000 0.946 24 G CA 0.000 44.894 45.100 -0.344 0.000 0.502 25 H N 0.225 119.231 119.070 -0.107 0.000 2.806 25 H HA 0.492 5.050 4.556 0.004 0.000 0.367 25 H C -0.267 174.985 175.328 -0.126 0.000 1.136 25 H CA -0.702 55.286 56.048 -0.099 0.000 1.178 25 H CB 1.974 31.706 29.762 -0.050 0.000 1.718 25 H HN 0.352 nan 8.280 nan 0.000 0.540 26 M N 2.309 121.913 119.600 0.007 0.000 2.211 26 M HA 0.218 4.700 4.480 0.004 0.000 0.356 26 M C 0.362 176.657 176.300 -0.008 0.000 1.216 26 M CA -0.418 54.836 55.300 -0.077 0.000 1.134 26 M CB 0.555 33.089 32.600 -0.110 0.000 1.564 26 M HN 0.328 nan 8.290 nan 0.000 0.463 27 K N 1.814 122.215 120.400 0.001 0.000 2.245 27 K HA 0.473 4.795 4.320 0.004 0.000 0.234 27 K C -0.654 175.992 176.600 0.077 0.000 1.021 27 K CA -0.683 55.650 56.287 0.076 0.000 0.898 27 K CB 0.511 33.062 32.500 0.084 0.000 1.163 27 K HN 0.362 nan 8.250 nan 0.000 0.459 28 Y N 0.846 121.149 120.300 0.004 0.000 2.426 28 Y HA 0.028 4.580 4.550 0.004 0.000 0.344 28 Y C -1.159 174.751 175.900 0.017 0.000 1.256 28 Y CA -1.108 56.999 58.100 0.013 0.000 1.451 28 Y CB -0.118 38.346 38.460 0.006 0.000 1.342 28 Y HN 0.456 nan 8.280 nan 0.000 0.600 29 P HA -0.188 nan 4.420 nan 0.000 0.217 29 P C 1.620 178.983 177.300 0.105 0.000 1.150 29 P CA 1.235 64.397 63.100 0.104 0.000 0.832 29 P CB 0.207 31.959 31.700 0.086 0.000 0.787 30 V N -0.143 119.849 119.914 0.130 0.000 3.078 30 V HA -0.132 3.990 4.120 0.004 0.000 0.265 30 V C 1.613 177.743 176.094 0.059 0.000 1.122 30 V CA 1.683 64.030 62.300 0.079 0.000 1.141 30 V CB -0.809 31.050 31.823 0.060 0.000 0.735 30 V HN 0.122 nan 8.190 nan 0.000 0.498 31 E N -1.838 118.414 120.200 0.087 0.000 2.693 31 E HA 0.335 4.687 4.350 0.004 0.000 0.214 31 E C 1.072 177.705 176.600 0.055 0.000 0.990 31 E CA 0.654 57.088 56.400 0.057 0.000 1.047 31 E CB 0.761 30.495 29.700 0.056 0.000 1.039 31 E HN 0.544 nan 8.360 nan 0.000 0.475 32 G N -0.446 108.388 108.800 0.057 0.000 3.859 32 G HA2 0.203 4.165 3.960 0.004 0.000 0.198 32 G HA3 0.203 4.165 3.960 0.004 0.000 0.198 32 G C 0.659 175.583 174.900 0.040 0.000 0.972 32 G CA -0.158 44.966 45.100 0.040 0.000 0.882 32 G HN 0.692 nan 8.290 nan 0.000 0.364 33 G N -1.061 107.770 108.800 0.051 0.000 2.447 33 G HA2 0.452 4.414 3.960 0.004 0.000 0.220 33 G HA3 0.452 4.414 3.960 0.004 0.000 0.220 33 G C 0.552 175.478 174.900 0.044 0.000 1.261 33 G CA 0.860 45.992 45.100 0.054 0.000 1.000 33 G HN 1.835 nan 8.290 nan 0.000 0.515 34 G N -1.596 107.245 108.800 0.069 0.000 3.009 34 G HA2 0.439 4.402 3.960 0.004 0.000 0.183 34 G HA3 0.439 4.402 3.960 0.004 0.000 0.183 34 G C 1.112 176.092 174.900 0.133 0.000 1.613 34 G CA 1.214 46.368 45.100 0.090 0.000 0.910 34 G HN 1.034 nan 8.290 nan 0.000 0.785 35 N N 0.435 119.298 118.700 0.271 0.000 2.090 35 N HA -0.313 4.429 4.740 0.004 0.000 0.156 35 N C 1.990 177.694 175.510 0.323 0.000 0.679 35 N CA 2.265 55.563 53.050 0.414 0.000 0.868 35 N CB -0.497 38.226 38.487 0.393 0.000 0.926 35 N HN 0.445 nan 8.380 nan 0.000 1.155 36 Q N 0.842 120.756 119.800 0.190 0.000 2.297 36 Q HA -0.096 4.246 4.340 0.004 0.000 0.208 36 Q C 0.863 176.876 176.000 0.020 0.000 0.981 36 Q CA 1.387 57.268 55.803 0.130 0.000 0.876 36 Q CB -0.100 28.686 28.738 0.080 0.000 0.921 36 Q HN 0.391 nan 8.270 nan 0.000 0.446 37 D N -1.890 118.461 120.400 -0.083 0.000 2.277 37 D HA -0.095 4.547 4.640 0.004 0.000 0.208 37 D C 0.746 176.729 176.300 -0.529 0.000 0.962 37 D CA 0.675 54.493 54.000 -0.303 0.000 0.865 37 D CB -0.086 40.475 40.800 -0.398 0.000 0.939 37 D HN 0.440 nan 8.370 nan 0.000 0.510 38 W N -0.697 120.311 121.300 -0.487 0.000 2.762 38 W HA 0.113 4.775 4.660 0.004 0.000 0.265 38 W C 0.527 176.324 176.519 -1.203 0.000 1.263 38 W CA -0.330 56.395 57.345 -1.033 0.000 1.411 38 W CB 0.629 28.968 29.460 -1.868 0.000 1.065 38 W HN -0.117 nan 8.180 nan 0.000 0.609 39 W N 0.832 122.256 121.300 0.206 0.000 2.036 39 W HA 0.271 4.934 4.660 0.004 0.000 0.294 39 W C -2.173 174.393 176.519 0.079 0.000 0.948 39 W CA -2.178 55.242 57.345 0.125 0.000 1.774 39 W CB -0.057 29.469 29.460 0.110 0.000 1.950 39 W HN -0.205 nan 8.180 nan 0.000 0.384 40 P HA -0.242 nan 4.420 nan 0.000 0.218 40 P C 1.265 178.631 177.300 0.109 0.000 1.154 40 P CA 2.104 65.247 63.100 0.071 0.000 0.872 40 P CB 0.393 32.103 31.700 0.017 0.000 0.790 41 N N -1.767 117.021 118.700 0.148 0.000 2.280 41 N HA 0.010 4.753 4.740 0.004 0.000 0.192 41 N C 0.624 176.281 175.510 0.245 0.000 1.109 41 N CA -0.053 53.100 53.050 0.172 0.000 0.855 41 N CB -0.231 38.345 38.487 0.148 0.000 0.974 41 N HN 0.116 nan 8.380 nan 0.000 0.482 42 R N 1.270 121.898 120.500 0.213 0.000 2.538 42 R HA -0.107 4.236 4.340 0.004 0.000 0.273 42 R C -0.030 176.312 176.300 0.071 0.000 0.967 42 R CA -0.171 56.018 56.100 0.149 0.000 1.101 42 R CB 0.191 30.616 30.300 0.208 0.000 0.908 42 R HN -0.038 nan 8.270 nan 0.000 0.411 43 L N 3.847 125.009 121.223 -0.103 0.000 2.540 43 L HA -0.039 4.304 4.340 0.004 0.000 0.276 43 L C -0.114 176.694 176.870 -0.104 0.000 1.212 43 L CA 0.978 55.667 54.840 -0.253 0.000 0.893 43 L CB 0.232 42.047 42.059 -0.407 0.000 1.138 43 L HN 0.665 nan 8.230 nan 0.000 0.491 44 N N 4.003 122.663 118.700 -0.067 0.000 2.609 44 N HA 0.198 4.941 4.740 0.004 0.000 0.234 44 N C 0.459 175.915 175.510 -0.090 0.000 1.001 44 N CA -0.234 52.790 53.050 -0.043 0.000 0.926 44 N CB 0.376 38.862 38.487 -0.001 0.000 1.130 44 N HN 0.671 nan 8.380 nan 0.000 0.510 45 L N 2.117 123.276 121.223 -0.107 0.000 2.549 45 L HA -0.008 4.334 4.340 0.004 0.000 0.229 45 L C 1.655 178.361 176.870 -0.273 0.000 1.158 45 L CA 0.648 55.404 54.840 -0.140 0.000 0.842 45 L CB -0.123 41.880 42.059 -0.094 0.000 0.952 45 L HN 0.500 nan 8.230 nan 0.000 0.452 46 K N -0.392 119.823 120.400 -0.308 0.000 2.555 46 K HA -0.080 4.242 4.320 0.004 0.000 0.193 46 K C 1.917 178.272 176.600 -0.408 0.000 1.032 46 K CA 0.378 56.302 56.287 -0.605 0.000 1.004 46 K CB 0.098 32.465 32.500 -0.221 0.000 0.804 46 K HN 0.163 nan 8.250 nan 0.000 0.496 47 V N 0.898 120.683 119.914 -0.214 0.000 2.871 47 V HA -0.075 4.047 4.120 0.004 0.000 0.256 47 V C 1.239 177.290 176.094 -0.072 0.000 1.082 47 V CA 1.215 63.455 62.300 -0.101 0.000 1.105 47 V CB -0.082 31.708 31.823 -0.054 0.000 0.713 47 V HN 0.277 nan 8.190 nan 0.000 0.473 48 L N 1.667 122.825 121.223 -0.109 0.000 2.629 48 L HA 0.240 4.583 4.340 0.004 0.000 0.230 48 L C 0.958 177.877 176.870 0.082 0.000 1.151 48 L CA 0.430 55.270 54.840 -0.000 0.000 0.924 48 L CB -0.448 41.629 42.059 0.031 0.000 1.137 48 L HN 0.663 nan 8.230 nan 0.000 0.457 49 H N -2.688 116.413 119.070 0.052 0.000 3.038 49 H HA 0.304 4.862 4.556 0.004 0.000 0.223 49 H C -0.479 174.876 175.328 0.045 0.000 1.400 49 H CA -0.594 55.485 56.048 0.051 0.000 1.153 49 H CB 0.117 29.907 29.762 0.048 0.000 2.234 49 H HN 0.225 nan 8.280 nan 0.000 0.541 50 Q N 1.678 121.591 119.800 0.188 0.000 2.340 50 Q HA 0.049 4.391 4.340 0.004 0.000 0.249 50 Q C 0.261 176.337 176.000 0.125 0.000 0.957 50 Q CA -0.444 55.444 55.803 0.141 0.000 0.882 50 Q CB 0.723 29.507 28.738 0.078 0.000 1.235 50 Q HN 0.458 nan 8.270 nan 0.000 0.439 51 N N 1.833 120.595 118.700 0.102 0.000 2.681 51 N HA -0.106 4.636 4.740 0.004 0.000 0.259 51 N C -2.465 173.112 175.510 0.111 0.000 1.066 51 N CA 0.002 53.115 53.050 0.104 0.000 0.717 51 N CB -0.364 38.190 38.487 0.110 0.000 0.885 51 N HN 0.442 nan 8.380 nan 0.000 0.547 52 P HA 0.100 nan 4.420 nan 0.000 0.268 52 P C 0.784 178.113 177.300 0.047 0.000 1.205 52 P CA 0.152 63.275 63.100 0.039 0.000 0.771 52 P CB 0.613 32.293 31.700 -0.033 0.000 0.858 53 A N 3.510 126.353 122.820 0.040 0.000 1.986 53 A HA -0.161 4.162 4.320 0.004 0.000 0.220 53 A C 2.118 179.700 177.584 -0.002 0.000 1.171 53 A CA 1.966 54.024 52.037 0.035 0.000 0.640 53 A CB -1.505 17.514 19.000 0.032 0.000 0.811 53 A HN 0.415 nan 8.150 nan 0.000 0.451 54 V N -0.490 119.414 119.914 -0.016 0.000 2.380 54 V HA -0.280 3.842 4.120 0.004 0.000 0.251 54 V C 2.823 178.889 176.094 -0.047 0.000 1.063 54 V CA 2.025 64.304 62.300 -0.035 0.000 1.055 54 V CB -1.233 30.566 31.823 -0.040 0.000 0.657 54 V HN 0.619 nan 8.190 nan 0.000 0.455 55 A N -0.972 121.832 122.820 -0.028 0.000 2.169 55 A HA -0.023 4.299 4.320 0.004 0.000 0.212 55 A C 1.217 178.733 177.584 -0.112 0.000 1.153 55 A CA 0.312 52.331 52.037 -0.030 0.000 0.756 55 A CB -0.269 18.750 19.000 0.032 0.000 0.813 55 A HN 0.494 nan 8.150 nan 0.000 0.471 56 D N 0.659 120.978 120.400 -0.135 0.000 2.343 56 D HA 0.142 4.784 4.640 0.004 0.000 0.255 56 D C -1.327 174.677 176.300 -0.494 0.000 1.187 56 D CA -1.526 52.245 54.000 -0.381 0.000 0.875 56 D CB 1.360 42.102 40.800 -0.095 0.000 1.136 56 D HN 0.146 nan 8.370 nan 0.000 0.469 57 P HA -0.041 nan 4.420 nan 0.000 0.225 57 P C 0.610 177.626 177.300 -0.473 0.000 1.156 57 P CA 0.288 63.025 63.100 -0.606 0.000 0.787 57 P CB 0.293 31.537 31.700 -0.760 0.000 0.802 58 M N 0.263 119.536 119.600 -0.545 0.000 2.228 58 M HA 0.313 4.796 4.480 0.004 0.000 0.326 58 M C 1.423 177.607 176.300 -0.194 0.000 1.122 58 M CA -0.807 54.215 55.300 -0.463 0.000 1.161 58 M CB -0.821 31.275 32.600 -0.840 0.000 1.437 58 M HN -0.181 nan 8.290 nan 0.000 0.465 59 G N 0.445 109.204 108.800 -0.068 0.000 2.590 59 G HA2 0.354 4.316 3.960 0.004 0.000 0.276 59 G HA3 0.354 4.316 3.960 0.004 0.000 0.276 59 G C 0.722 175.682 174.900 0.100 0.000 1.337 59 G CA 0.181 45.300 45.100 0.031 0.000 1.030 59 G HN 0.840 nan 8.290 nan 0.000 0.534 60 A N -1.016 121.857 122.820 0.090 0.000 1.943 60 A HA 0.434 4.757 4.320 0.004 0.000 0.213 60 A C 2.439 180.098 177.584 0.126 0.000 1.181 60 A CA 1.718 53.814 52.037 0.098 0.000 0.653 60 A CB -0.424 18.611 19.000 0.059 0.000 0.833 60 A HN 1.263 nan 8.150 nan 0.000 0.451 61 A N -1.208 121.683 122.820 0.119 0.000 2.235 61 A HA 0.291 4.613 4.320 0.004 0.000 0.208 61 A C 0.558 178.226 177.584 0.139 0.000 1.172 61 A CA -0.264 51.834 52.037 0.103 0.000 0.786 61 A CB -0.720 18.325 19.000 0.074 0.000 0.804 61 A HN 0.481 nan 8.150 nan 0.000 0.479 62 F N 1.378 121.362 119.950 0.058 0.000 2.506 62 F HA 0.373 4.902 4.527 0.004 0.000 0.371 62 F C -0.209 175.658 175.800 0.111 0.000 1.078 62 F CA -0.906 57.144 58.000 0.084 0.000 1.195 62 F CB 0.384 39.440 39.000 0.094 0.000 1.099 62 F HN 0.132 nan 8.300 nan 0.000 0.548 63 D N 5.554 125.588 120.400 -0.611 0.000 2.471 63 D HA 0.079 4.721 4.640 0.004 0.000 0.245 63 D C 0.343 176.264 176.300 -0.631 0.000 1.116 63 D CA -0.463 53.273 54.000 -0.440 0.000 0.853 63 D CB 0.485 41.171 40.800 -0.190 0.000 1.123 63 D HN 0.535 nan 8.370 nan 0.000 0.540 64 Y N 4.560 124.495 120.300 -0.608 0.000 2.181 64 Y HA -0.129 4.423 4.550 0.004 0.000 0.288 64 Y C 1.963 177.771 175.900 -0.154 0.000 1.146 64 Y CA 2.203 60.109 58.100 -0.323 0.000 1.164 64 Y CB -0.386 38.085 38.460 0.019 0.000 0.982 64 Y HN 0.501 nan 8.280 nan 0.000 0.515 65 A N 0.680 123.368 122.820 -0.220 0.000 1.903 65 A HA -0.244 4.079 4.320 0.004 0.000 0.219 65 A C 2.466 179.885 177.584 -0.274 0.000 1.191 65 A CA 2.533 54.421 52.037 -0.248 0.000 0.638 65 A CB -1.608 17.343 19.000 -0.082 0.000 0.823 65 A HN 0.633 nan 8.150 nan 0.000 0.451 66 A N -1.086 121.599 122.820 -0.224 0.000 2.067 66 A HA -0.076 4.246 4.320 0.004 0.000 0.219 66 A C 1.922 179.387 177.584 -0.199 0.000 1.158 66 A CA 1.570 53.497 52.037 -0.183 0.000 0.661 66 A CB -0.284 18.629 19.000 -0.146 0.000 0.801 66 A HN 0.512 nan 8.150 nan 0.000 0.452 67 E N -0.053 119.990 120.200 -0.262 0.000 2.060 67 E HA -0.078 4.274 4.350 0.004 0.000 0.189 67 E C 2.263 178.720 176.600 -0.238 0.000 0.974 67 E CA 1.516 57.810 56.400 -0.176 0.000 0.808 67 E CB -0.666 29.009 29.700 -0.041 0.000 0.768 67 E HN 0.478 nan 8.360 nan 0.000 0.453 68 V N 1.355 120.986 119.914 -0.473 0.000 2.427 68 V HA -0.091 4.031 4.120 0.004 0.000 0.248 68 V C 2.485 178.353 176.094 -0.377 0.000 1.051 68 V CA 1.530 63.543 62.300 -0.478 0.000 1.048 68 V CB -1.259 30.166 31.823 -0.663 0.000 0.666 68 V HN 0.145 nan 8.190 nan 0.000 0.456 69 A N 0.199 122.840 122.820 -0.297 0.000 2.131 69 A HA -0.189 4.133 4.320 0.004 0.000 0.220 69 A C 2.283 179.760 177.584 -0.177 0.000 1.158 69 A CA 2.358 54.269 52.037 -0.210 0.000 0.665 69 A CB -0.865 18.045 19.000 -0.151 0.000 0.795 69 A HN 0.528 nan 8.150 nan 0.000 0.460 70 T N -0.749 113.704 114.554 -0.168 0.000 3.051 70 T HA 0.222 4.574 4.350 0.004 0.000 0.255 70 T C 0.791 175.426 174.700 -0.109 0.000 1.085 70 T CA -0.205 61.827 62.100 -0.114 0.000 1.109 70 T CB -0.258 68.562 68.868 -0.080 0.000 0.921 70 T HN 0.431 nan 8.240 nan 0.000 0.488 71 I N 2.451 122.926 120.570 -0.159 0.000 2.815 71 I HA -0.040 4.132 4.170 0.004 0.000 0.291 71 I C 0.139 176.181 176.117 -0.124 0.000 1.209 71 I CA 0.072 61.296 61.300 -0.127 0.000 1.431 71 I CB 0.532 38.390 38.000 -0.236 0.000 1.351 71 I HN 0.008 nan 8.210 nan 0.000 0.585 72 D N 6.840 127.235 120.400 -0.008 0.000 2.435 72 D HA 0.063 4.706 4.640 0.004 0.000 0.230 72 D C 1.053 177.341 176.300 -0.021 0.000 1.215 72 D CA -0.102 53.903 54.000 0.008 0.000 0.947 72 D CB 1.018 41.868 40.800 0.084 0.000 1.048 72 D HN 0.359 nan 8.370 nan 0.000 0.512 73 V N 3.769 123.636 119.914 -0.077 0.000 2.332 73 V HA -0.239 3.883 4.120 0.004 0.000 0.248 73 V C 1.914 178.052 176.094 0.074 0.000 1.055 73 V CA 1.529 63.807 62.300 -0.036 0.000 1.038 73 V CB -0.223 31.601 31.823 0.002 0.000 0.651 73 V HN 0.522 nan 8.190 nan 0.000 0.450 74 D N 0.597 121.035 120.400 0.063 0.000 2.084 74 D HA -0.149 4.493 4.640 0.004 0.000 0.194 74 D C 2.279 178.629 176.300 0.084 0.000 0.990 74 D CA 1.785 55.830 54.000 0.075 0.000 0.826 74 D CB -0.277 40.555 40.800 0.053 0.000 0.971 74 D HN 0.461 nan 8.370 nan 0.000 0.453 75 A N 1.107 123.983 122.820 0.093 0.000 1.902 75 A HA -0.158 4.164 4.320 0.004 0.000 0.217 75 A C 2.192 179.872 177.584 0.161 0.000 1.181 75 A CA 1.050 53.169 52.037 0.137 0.000 0.623 75 A CB -0.699 18.408 19.000 0.179 0.000 0.818 75 A HN 0.231 nan 8.150 nan 0.000 0.443 76 L N -0.129 121.136 121.223 0.069 0.000 2.046 76 L HA -0.113 4.229 4.340 0.004 0.000 0.208 76 L C 2.373 179.272 176.870 0.048 0.000 1.077 76 L CA 2.875 57.635 54.840 -0.134 0.000 0.747 76 L CB -1.182 40.685 42.059 -0.319 0.000 0.896 76 L HN 0.359 nan 8.230 nan 0.000 0.432 77 T N -0.283 114.348 114.554 0.129 0.000 2.746 77 T HA -0.154 4.198 4.350 0.004 0.000 0.267 77 T C 1.976 176.708 174.700 0.054 0.000 1.039 77 T CA 1.593 63.748 62.100 0.093 0.000 1.142 77 T CB -0.216 68.707 68.868 0.092 0.000 0.866 77 T HN 0.379 nan 8.240 nan 0.000 0.444 78 R N 1.060 121.602 120.500 0.069 0.000 2.096 78 R HA -0.067 4.275 4.340 0.004 0.000 0.235 78 R C 2.211 178.554 176.300 0.071 0.000 1.127 78 R CA 1.378 57.515 56.100 0.062 0.000 0.968 78 R CB -0.300 30.038 30.300 0.064 0.000 0.861 78 R HN 0.430 nan 8.270 nan 0.000 0.440 79 D N 0.759 121.216 120.400 0.096 0.000 2.117 79 D HA -0.126 4.516 4.640 0.004 0.000 0.197 79 D C 1.957 178.314 176.300 0.094 0.000 0.987 79 D CA 1.132 55.199 54.000 0.111 0.000 0.829 79 D CB -0.046 40.866 40.800 0.187 0.000 0.961 79 D HN 0.226 nan 8.370 nan 0.000 0.460 80 I N 1.276 121.891 120.570 0.075 0.000 2.315 80 I HA -0.201 3.972 4.170 0.004 0.000 0.248 80 I C 2.208 178.387 176.117 0.103 0.000 1.117 80 I CA 0.978 62.330 61.300 0.086 0.000 1.404 80 I CB -0.156 37.860 38.000 0.027 0.000 1.071 80 I HN -0.061 nan 8.210 nan 0.000 0.419 81 E N 0.436 120.671 120.200 0.058 0.000 2.204 81 E HA -0.222 4.130 4.350 0.004 0.000 0.195 81 E C 1.950 178.565 176.600 0.024 0.000 0.990 81 E CA 0.838 57.258 56.400 0.034 0.000 0.821 81 E CB -0.006 29.708 29.700 0.023 0.000 0.750 81 E HN 0.519 nan 8.360 nan 0.000 0.477 82 E N 0.176 120.408 120.200 0.053 0.000 2.072 82 E HA -0.116 4.236 4.350 0.004 0.000 0.190 82 E C 2.184 178.831 176.600 0.080 0.000 0.982 82 E CA 0.698 57.129 56.400 0.052 0.000 0.803 82 E CB 0.262 29.999 29.700 0.062 0.000 0.755 82 E HN 0.070 nan 8.360 nan 0.000 0.453 83 V N 1.432 121.425 119.914 0.131 0.000 2.295 83 V HA -0.290 3.833 4.120 0.004 0.000 0.246 83 V C 2.349 178.591 176.094 0.246 0.000 1.049 83 V CA 1.585 64.008 62.300 0.205 0.000 1.024 83 V CB -0.427 31.555 31.823 0.265 0.000 0.648 83 V HN 0.336 nan 8.190 nan 0.000 0.447 84 M N 0.779 120.484 119.600 0.176 0.000 2.202 84 M HA -0.145 4.338 4.480 0.004 0.000 0.262 84 M C 1.814 177.987 176.300 -0.211 0.000 1.063 84 M CA 2.202 57.516 55.300 0.022 0.000 1.097 84 M CB -0.752 31.781 32.600 -0.112 0.000 1.382 84 M HN 0.632 nan 8.290 nan 0.000 0.413 85 T N -3.466 110.980 114.554 -0.179 0.000 3.214 85 T HA 0.167 4.519 4.350 0.004 0.000 0.264 85 T C 0.156 174.802 174.700 -0.090 0.000 1.012 85 T CA -0.354 61.623 62.100 -0.206 0.000 0.901 85 T CB -0.253 68.507 68.868 -0.180 0.000 1.070 85 T HN 0.048 nan 8.240 nan 0.000 0.561 86 T N 1.890 116.440 114.554 -0.006 0.000 3.241 86 T HA 0.433 4.786 4.350 0.004 0.000 0.387 86 T C 0.010 174.772 174.700 0.103 0.000 1.451 86 T CA -0.518 61.608 62.100 0.042 0.000 1.363 86 T CB 0.898 69.816 68.868 0.082 0.000 1.074 86 T HN 0.368 nan 8.240 nan 0.000 0.598 87 S N 3.095 118.779 115.700 -0.026 0.000 2.558 87 S HA 0.068 4.540 4.470 0.004 0.000 0.287 87 S C -0.095 174.546 174.600 0.068 0.000 1.321 87 S CA 0.041 58.227 58.200 -0.024 0.000 1.048 87 S CB 0.289 63.423 63.200 -0.110 0.000 0.844 87 S HN 0.453 nan 8.310 nan 0.000 0.512 88 Q N 4.047 123.881 119.800 0.056 0.000 2.333 88 Q HA 0.325 4.668 4.340 0.004 0.000 0.267 88 Q C -1.602 174.253 176.000 -0.242 0.000 1.012 88 Q CA -2.273 53.415 55.803 -0.191 0.000 0.824 88 Q CB 1.540 29.899 28.738 -0.632 0.000 1.290 88 Q HN 0.495 nan 8.270 nan 0.000 0.449 89 P HA -0.156 nan 4.420 nan 0.000 0.218 89 P C 0.757 178.105 177.300 0.080 0.000 1.146 89 P CA 1.556 64.661 63.100 0.008 0.000 0.813 89 P CB -0.026 31.732 31.700 0.097 0.000 0.778 90 W N -3.047 118.357 121.300 0.173 0.000 3.180 90 W HA 0.183 4.846 4.660 0.004 0.000 0.254 90 W C 0.136 176.872 176.519 0.362 0.000 1.318 90 W CA -0.298 57.170 57.345 0.204 0.000 1.608 90 W CB -0.889 28.676 29.460 0.176 0.000 1.124 90 W HN 0.021 nan 8.180 nan 0.000 0.694 91 W N 2.596 123.813 121.300 -0.138 0.000 1.451 91 W HA 0.168 4.831 4.660 0.003 0.000 0.320 91 W C -3.008 173.497 176.519 -0.025 0.000 1.013 91 W CA -1.510 55.793 57.345 -0.070 0.000 0.886 91 W CB -0.209 29.212 29.460 -0.066 0.000 0.862 91 W HN -0.320 nan 8.180 nan 0.000 0.329 92 P HA 0.042 nan 4.420 nan 0.000 0.264 92 P C 0.016 177.356 177.300 0.065 0.000 1.183 92 P CA 0.903 63.986 63.100 -0.028 0.000 0.763 92 P CB 0.736 32.375 31.700 -0.103 0.000 0.807 93 A N 3.381 126.122 122.820 -0.132 0.000 2.404 93 A HA 0.161 4.483 4.320 0.004 0.000 0.273 93 A C 0.056 177.427 177.584 -0.356 0.000 1.144 93 A CA -0.351 51.395 52.037 -0.485 0.000 0.806 93 A CB -0.407 17.795 19.000 -1.330 0.000 1.080 93 A HN 0.438 nan 8.150 nan 0.000 0.509 94 D N 1.628 121.855 120.400 -0.287 0.000 2.506 94 D HA 0.042 4.684 4.640 0.004 0.000 0.234 94 D C 0.347 176.339 176.300 -0.513 0.000 1.143 94 D CA 1.110 54.704 54.000 -0.677 0.000 0.871 94 D CB -0.189 40.493 40.800 -0.196 0.000 1.190 94 D HN 0.571 nan 8.370 nan 0.000 0.459 95 Y N -0.181 119.766 120.300 -0.588 0.000 4.047 95 Y HA -0.280 4.272 4.550 0.003 0.000 0.213 95 Y C 1.528 177.292 175.900 -0.227 0.000 1.112 95 Y CA 0.592 58.493 58.100 -0.331 0.000 1.644 95 Y CB -1.919 36.425 38.460 -0.193 0.000 1.519 95 Y HN 0.739 nan 8.280 nan 0.000 0.624 96 G N -0.010 108.657 108.800 -0.223 0.000 2.295 96 G HA2 -0.285 3.677 3.960 0.004 0.000 0.287 96 G HA3 -0.285 3.677 3.960 0.004 0.000 0.287 96 G C -0.451 174.377 174.900 -0.121 0.000 1.055 96 G CA 0.562 45.554 45.100 -0.181 0.000 0.922 96 G HN 0.976 nan 8.290 nan 0.000 0.503 97 H N -1.743 117.155 119.070 -0.287 0.000 3.278 97 H HA 0.223 4.781 4.556 0.004 0.000 0.326 97 H C 0.132 175.327 175.328 -0.222 0.000 1.113 97 H CA -1.004 54.918 56.048 -0.210 0.000 1.553 97 H CB 0.214 29.942 29.762 -0.056 0.000 1.997 97 H HN 0.092 nan 8.280 nan 0.000 0.456 98 Y N 2.812 123.122 120.300 0.017 0.000 2.632 98 Y HA 0.020 4.573 4.550 0.004 0.000 0.301 98 Y C 2.227 177.955 175.900 -0.288 0.000 1.172 98 Y CA 0.978 58.921 58.100 -0.262 0.000 1.328 98 Y CB -0.145 37.907 38.460 -0.680 0.000 1.016 98 Y HN 0.752 nan 8.280 nan 0.000 0.529 99 G N 1.418 110.472 108.800 0.423 0.000 2.545 99 G HA2 -0.264 3.698 3.960 0.004 0.000 0.217 99 G HA3 -0.264 3.698 3.960 0.004 0.000 0.217 99 G C -0.418 174.522 174.900 0.067 0.000 1.218 99 G CA 0.908 46.147 45.100 0.231 0.000 0.787 99 G HN 0.278 nan 8.290 nan 0.000 0.571 100 P HA -0.084 nan 4.420 nan 0.000 0.215 100 P C 2.037 179.459 177.300 0.203 0.000 1.153 100 P CA 0.654 63.833 63.100 0.132 0.000 0.853 100 P CB -0.127 31.709 31.700 0.227 0.000 0.788 101 L N -1.599 119.748 121.223 0.206 0.000 2.042 101 L HA -0.151 4.191 4.340 0.004 0.000 0.210 101 L C 1.993 179.069 176.870 0.343 0.000 1.076 101 L CA 2.011 57.001 54.840 0.250 0.000 0.749 101 L CB -1.356 40.839 42.059 0.226 0.000 0.893 101 L HN -0.134 nan 8.230 nan 0.000 0.432 102 F N -0.475 119.586 119.950 0.185 0.000 2.325 102 F HA -0.046 4.483 4.527 0.004 0.000 0.299 102 F C 2.404 178.292 175.800 0.147 0.000 1.090 102 F CA 0.597 58.683 58.000 0.143 0.000 1.392 102 F CB -0.850 38.227 39.000 0.129 0.000 1.053 102 F HN 0.098 nan 8.300 nan 0.000 0.521 103 I N -0.493 120.258 120.570 0.301 0.000 2.252 103 I HA -0.261 3.911 4.170 0.004 0.000 0.245 103 I C 2.718 179.061 176.117 0.377 0.000 1.102 103 I CA 1.026 62.466 61.300 0.233 0.000 1.385 103 I CB -0.397 37.588 38.000 -0.026 0.000 1.064 103 I HN 0.016 nan 8.210 nan 0.000 0.414 104 R N 1.226 121.914 120.500 0.314 0.000 2.073 104 R HA -0.215 4.127 4.340 0.004 0.000 0.234 104 R C 2.441 178.838 176.300 0.162 0.000 1.134 104 R CA 1.675 57.948 56.100 0.288 0.000 0.952 104 R CB -0.273 30.133 30.300 0.176 0.000 0.850 104 R HN 0.279 nan 8.270 nan 0.000 0.433 105 M N 0.190 119.893 119.600 0.172 0.000 2.082 105 M HA -0.192 4.291 4.480 0.004 0.000 0.258 105 M C 2.104 178.481 176.300 0.128 0.000 1.069 105 M CA 2.307 57.675 55.300 0.113 0.000 1.102 105 M CB -0.186 32.509 32.600 0.159 0.000 1.336 105 M HN 0.305 nan 8.290 nan 0.000 0.404 106 A N 0.339 123.298 122.820 0.232 0.000 1.930 106 A HA -0.221 4.101 4.320 0.004 0.000 0.217 106 A C 2.062 179.773 177.584 0.212 0.000 1.175 106 A CA 1.388 53.552 52.037 0.212 0.000 0.627 106 A CB -1.540 17.676 19.000 0.360 0.000 0.815 106 A HN 0.937 nan 8.150 nan 0.000 0.443 107 W N 0.261 121.718 121.300 0.261 0.000 2.358 107 W HA -0.208 4.454 4.660 0.004 0.000 0.303 107 W C 1.750 178.421 176.519 0.253 0.000 1.208 107 W CA 1.772 59.281 57.345 0.273 0.000 1.274 107 W CB -0.605 29.110 29.460 0.424 0.000 1.138 107 W HN 0.600 nan 8.180 nan 0.000 0.515 108 H N 0.239 119.054 119.070 -0.425 0.000 2.428 108 H HA -0.057 4.501 4.556 0.004 0.000 0.296 108 H C 2.552 177.620 175.328 -0.434 0.000 1.062 108 H CA 0.938 56.614 56.048 -0.621 0.000 1.350 108 H CB -0.020 29.543 29.762 -0.331 0.000 1.403 108 H HN 0.216 nan 8.280 nan 0.000 0.533 109 A N 1.201 123.942 122.820 -0.133 0.000 1.883 109 A HA -0.127 4.195 4.320 0.004 0.000 0.217 109 A C 2.442 179.906 177.584 -0.200 0.000 1.186 109 A CA 1.675 53.615 52.037 -0.160 0.000 0.624 109 A CB -0.658 18.281 19.000 -0.103 0.000 0.822 109 A HN 0.436 nan 8.150 nan 0.000 0.444 110 A N -1.054 121.644 122.820 -0.203 0.000 2.178 110 A HA 0.385 4.707 4.320 0.004 0.000 0.211 110 A C 2.062 179.530 177.584 -0.195 0.000 1.157 110 A CA 1.084 53.002 52.037 -0.198 0.000 0.780 110 A CB -0.777 18.081 19.000 -0.237 0.000 0.828 110 A HN 0.695 nan 8.150 nan 0.000 0.476 111 G N -0.052 108.506 108.800 -0.403 0.000 2.598 111 G HA2 -0.068 3.894 3.960 0.004 0.000 0.215 111 G HA3 -0.068 3.894 3.960 0.004 0.000 0.215 111 G C 1.409 175.987 174.900 -0.537 0.000 1.131 111 G CA 1.544 46.236 45.100 -0.680 0.000 0.785 111 G HN 0.621 nan 8.290 nan 0.000 0.539 112 T N -2.915 111.453 114.554 -0.310 0.000 3.113 112 T HA 0.101 4.454 4.350 0.004 0.000 0.256 112 T C 0.915 175.674 174.700 0.098 0.000 1.131 112 T CA -0.558 61.457 62.100 -0.141 0.000 1.074 112 T CB -0.296 68.448 68.868 -0.206 0.000 0.944 112 T HN 0.170 nan 8.240 nan 0.000 0.516 113 Y N 3.311 123.588 120.300 -0.039 0.000 2.712 113 Y HA 0.330 4.883 4.550 0.004 0.000 0.333 113 Y C 0.138 176.072 175.900 0.056 0.000 1.225 113 Y CA -0.516 57.591 58.100 0.010 0.000 1.499 113 Y CB 0.333 38.772 38.460 -0.035 0.000 1.288 113 Y HN 0.106 nan 8.280 nan 0.000 0.575 114 R N 6.337 126.415 120.500 -0.703 0.000 2.628 114 R HA 0.320 4.662 4.340 0.004 0.000 0.288 114 R C 0.796 176.647 176.300 -0.748 0.000 0.980 114 R CA -0.226 55.585 56.100 -0.482 0.000 0.891 114 R CB 1.082 31.272 30.300 -0.184 0.000 1.188 114 R HN 0.825 nan 8.270 nan 0.000 0.450 115 I N -1.466 118.874 120.570 -0.384 0.000 2.546 115 I HA -0.128 4.044 4.170 0.004 0.000 0.255 115 I C 1.785 177.831 176.117 -0.118 0.000 1.163 115 I CA 1.036 62.205 61.300 -0.218 0.000 1.457 115 I CB -0.234 37.762 38.000 -0.007 0.000 1.092 115 I HN 0.678 nan 8.210 nan 0.000 0.434 116 H N 2.774 121.748 119.070 -0.159 0.000 2.290 116 H HA -0.204 4.354 4.556 0.004 0.000 0.298 116 H C 1.273 176.525 175.328 -0.127 0.000 1.087 116 H CA 2.514 58.492 56.048 -0.115 0.000 1.291 116 H CB 0.185 29.892 29.762 -0.091 0.000 1.369 116 H HN 0.627 nan 8.280 nan 0.000 0.492 117 D N -2.121 118.219 120.400 -0.100 0.000 2.433 117 D HA 0.109 4.751 4.640 0.004 0.000 0.211 117 D C 1.454 177.659 176.300 -0.159 0.000 1.114 117 D CA 0.710 54.624 54.000 -0.143 0.000 0.837 117 D CB -0.000 40.755 40.800 -0.074 0.000 0.984 117 D HN 0.513 nan 8.370 nan 0.000 0.505 118 G N 0.886 109.556 108.800 -0.218 0.000 2.166 118 G HA2 -0.361 3.601 3.960 0.004 0.000 0.260 118 G HA3 -0.361 3.601 3.960 0.004 0.000 0.260 118 G C 0.410 175.235 174.900 -0.124 0.000 0.986 118 G CA 0.358 45.340 45.100 -0.197 0.000 0.683 118 G HN 0.449 nan 8.290 nan 0.000 0.527 119 R N -0.041 120.360 120.500 -0.166 0.000 2.574 119 R HA 0.579 4.921 4.340 0.004 0.000 0.266 119 R C 1.159 177.453 176.300 -0.010 0.000 1.157 119 R CA 0.295 56.341 56.100 -0.090 0.000 1.187 119 R CB 0.239 30.440 30.300 -0.166 0.000 1.179 119 R HN 1.417 nan 8.270 nan 0.000 0.600 120 G N -0.910 107.945 108.800 0.092 0.000 2.782 120 G HA2 0.185 4.147 3.960 0.004 0.000 0.228 120 G HA3 0.185 4.147 3.960 0.004 0.000 0.228 120 G C 0.011 175.022 174.900 0.186 0.000 1.372 120 G CA -0.369 44.875 45.100 0.240 0.000 0.862 120 G HN 1.137 nan 8.290 nan 0.000 0.547 121 G N -2.679 106.190 108.800 0.114 0.000 2.592 121 G HA2 0.488 4.450 3.960 0.004 0.000 0.684 121 G HA3 0.488 4.450 3.960 0.004 0.000 0.684 121 G C 0.778 175.637 174.900 -0.069 0.000 1.291 121 G CA 0.938 46.056 45.100 0.030 0.000 0.891 121 G HN 2.472 nan 8.290 nan 0.000 0.544 122 A N -0.368 122.372 122.820 -0.133 0.000 2.238 122 A HA 0.541 4.863 4.320 0.004 0.000 0.210 122 A C 2.593 180.098 177.584 -0.131 0.000 1.179 122 A CA 1.598 53.548 52.037 -0.145 0.000 0.827 122 A CB -0.478 18.413 19.000 -0.182 0.000 0.856 122 A HN 2.375 nan 8.150 nan 0.000 0.488 123 G N 0.075 108.800 108.800 -0.125 0.000 2.517 123 G HA2 -0.035 3.928 3.960 0.004 0.000 0.222 123 G HA3 -0.035 3.928 3.960 0.004 0.000 0.222 123 G C 1.184 176.039 174.900 -0.074 0.000 1.109 123 G CA 1.292 46.326 45.100 -0.109 0.000 0.746 123 G HN 0.763 nan 8.290 nan 0.000 0.576 124 G N -1.422 107.342 108.800 -0.059 0.000 3.228 124 G HA2 0.415 4.377 3.960 0.004 0.000 0.245 124 G HA3 0.415 4.377 3.960 0.004 0.000 0.245 124 G C 1.065 175.921 174.900 -0.073 0.000 1.051 124 G CA 0.481 45.551 45.100 -0.049 0.000 0.809 124 G HN 1.309 nan 8.290 nan 0.000 0.531 125 G N 1.044 109.787 108.800 -0.095 0.000 2.221 125 G HA2 -0.308 3.654 3.960 0.004 0.000 0.265 125 G HA3 -0.308 3.654 3.960 0.004 0.000 0.265 125 G C 1.198 175.980 174.900 -0.197 0.000 1.041 125 G CA 0.542 45.557 45.100 -0.142 0.000 0.807 125 G HN 0.204 nan 8.290 nan 0.000 0.502 126 M N -0.382 119.152 119.600 -0.109 0.000 2.629 126 M HA -0.044 4.439 4.480 0.004 0.000 0.257 126 M C 2.180 178.370 176.300 -0.185 0.000 1.071 126 M CA 1.439 56.706 55.300 -0.056 0.000 1.077 126 M CB -0.650 31.949 32.600 -0.002 0.000 1.423 126 M HN 0.637 nan 8.290 nan 0.000 0.508 127 Q N 1.006 120.649 119.800 -0.262 0.000 2.369 127 Q HA -0.136 4.206 4.340 0.004 0.000 0.206 127 Q C 1.839 177.632 176.000 -0.345 0.000 0.963 127 Q CA 0.848 56.472 55.803 -0.298 0.000 0.894 127 Q CB 0.146 28.737 28.738 -0.246 0.000 0.965 127 Q HN 0.636 nan 8.270 nan 0.000 0.475 128 R N -1.522 118.673 120.500 -0.509 0.000 2.297 128 R HA 0.107 4.450 4.340 0.004 0.000 0.197 128 R C -0.069 175.844 176.300 -0.645 0.000 0.943 128 R CA 0.065 55.748 56.100 -0.696 0.000 1.038 128 R CB 0.154 29.821 30.300 -1.055 0.000 0.957 128 R HN -0.017 nan 8.270 nan 0.000 0.484 129 F N 0.691 120.502 119.950 -0.232 0.000 2.594 129 F HA 0.616 5.146 4.527 0.004 0.000 0.335 129 F C 0.522 176.223 175.800 -0.165 0.000 1.058 129 F CA -1.708 56.185 58.000 -0.178 0.000 0.981 129 F CB 1.161 40.076 39.000 -0.142 0.000 1.289 129 F HN -0.084 nan 8.300 nan 0.000 0.490 130 A N 1.753 124.645 122.820 0.120 0.000 2.386 130 A HA 0.325 4.647 4.320 0.004 0.000 0.248 130 A C -1.810 175.804 177.584 0.049 0.000 1.082 130 A CA -0.989 51.073 52.037 0.042 0.000 0.789 130 A CB -0.217 18.819 19.000 0.060 0.000 1.025 130 A HN 0.570 nan 8.150 nan 0.000 0.490 131 P HA 0.073 nan 4.420 nan 0.000 0.257 131 P C 1.205 178.330 177.300 -0.292 0.000 1.241 131 P CA 0.259 63.386 63.100 0.046 0.000 0.816 131 P CB 0.137 32.026 31.700 0.314 0.000 1.150 132 L N 1.242 122.086 121.223 -0.632 0.000 2.079 132 L HA -0.209 4.134 4.340 0.004 0.000 0.210 132 L C 2.311 178.885 176.870 -0.494 0.000 1.081 132 L CA 2.091 56.312 54.840 -1.032 0.000 0.752 132 L CB -1.415 40.114 42.059 -0.883 0.000 0.896 132 L HN 0.143 nan 8.230 nan 0.000 0.433 133 N N -1.119 117.416 118.700 -0.274 0.000 2.443 133 N HA -0.143 4.599 4.740 0.004 0.000 0.184 133 N C 1.170 176.665 175.510 -0.026 0.000 1.037 133 N CA 1.132 54.096 53.050 -0.144 0.000 0.896 133 N CB -0.400 37.989 38.487 -0.163 0.000 0.959 133 N HN 0.108 nan 8.380 nan 0.000 0.442 134 S N -1.026 114.634 115.700 -0.066 0.000 2.664 134 S HA 0.179 4.651 4.470 0.004 0.000 0.245 134 S C -0.721 173.851 174.600 -0.048 0.000 1.019 134 S CA -0.803 57.356 58.200 -0.068 0.000 0.996 134 S CB -0.053 63.040 63.200 -0.179 0.000 0.878 134 S HN 0.254 nan 8.310 nan 0.000 0.493 135 W N 2.761 123.903 121.300 -0.263 0.000 2.170 135 W HA 0.289 4.951 4.660 0.004 0.000 0.336 135 W C -1.984 174.365 176.519 -0.283 0.000 1.283 135 W CA -2.084 54.987 57.345 -0.455 0.000 1.224 135 W CB -0.232 29.032 29.460 -0.326 0.000 1.132 135 W HN 0.108 nan 8.180 nan 0.000 0.571 136 P HA -0.220 nan 4.420 nan 0.000 0.214 136 P C 1.226 178.464 177.300 -0.103 0.000 1.163 136 P CA 1.990 65.008 63.100 -0.137 0.000 0.889 136 P CB 0.312 31.922 31.700 -0.150 0.000 0.790 137 D N -1.538 118.826 120.400 -0.060 0.000 2.311 137 D HA -0.113 4.529 4.640 0.004 0.000 0.212 137 D C 0.962 177.334 176.300 0.120 0.000 0.972 137 D CA 0.888 54.895 54.000 0.013 0.000 0.887 137 D CB -0.620 40.128 40.800 -0.087 0.000 0.915 137 D HN 0.094 nan 8.370 nan 0.000 0.497 138 N N -0.067 118.676 118.700 0.072 0.000 2.268 138 N HA 0.158 4.900 4.740 0.004 0.000 0.204 138 N C -0.133 175.235 175.510 -0.236 0.000 1.124 138 N CA -0.063 53.035 53.050 0.079 0.000 0.838 138 N CB 0.293 38.843 38.487 0.103 0.000 0.994 138 N HN 0.019 nan 8.380 nan 0.000 0.489 139 A N 0.078 122.493 122.820 -0.675 0.000 2.555 139 A HA 0.241 4.563 4.320 0.004 0.000 0.233 139 A C 1.267 178.341 177.584 -0.851 0.000 1.060 139 A CA 0.629 51.620 52.037 -1.742 0.000 0.759 139 A CB 0.090 18.145 19.000 -1.575 0.000 0.995 139 A HN 0.317 nan 8.150 nan 0.000 0.506 140 S N -0.341 114.916 115.700 -0.739 0.000 2.298 140 S HA -0.213 4.259 4.470 0.004 0.000 0.240 140 S C 1.146 175.581 174.600 -0.275 0.000 1.197 140 S CA 1.502 59.457 58.200 -0.408 0.000 1.575 140 S CB -1.852 61.191 63.200 -0.261 0.000 2.016 140 S HN 0.719 nan 8.310 nan 0.000 0.604 141 L N 2.236 123.369 121.223 -0.150 0.000 2.450 141 L HA -0.141 4.201 4.340 0.004 0.000 0.224 141 L C 2.316 179.163 176.870 -0.039 0.000 1.149 141 L CA 1.621 56.428 54.840 -0.055 0.000 0.816 141 L CB -0.638 41.407 42.059 -0.024 0.000 0.932 141 L HN 0.577 nan 8.230 nan 0.000 0.449 142 D N -0.018 120.386 120.400 0.006 0.000 2.183 142 D HA -0.179 4.463 4.640 0.004 0.000 0.203 142 D C 1.681 177.941 176.300 -0.066 0.000 0.969 142 D CA 0.917 54.912 54.000 -0.010 0.000 0.842 142 D CB -0.130 40.722 40.800 0.087 0.000 0.957 142 D HN 0.240 nan 8.370 nan 0.000 0.484 143 K N 1.058 121.358 120.400 -0.167 0.000 2.116 143 K HA 0.166 4.488 4.320 0.004 0.000 0.203 143 K C 2.342 178.931 176.600 -0.018 0.000 1.052 143 K CA 0.925 57.137 56.287 -0.124 0.000 0.952 143 K CB -0.519 31.532 32.500 -0.747 0.000 0.729 143 K HN 0.208 nan 8.250 nan 0.000 0.446 144 A N 2.400 125.185 122.820 -0.058 0.000 1.883 144 A HA -0.193 4.129 4.320 0.004 0.000 0.217 144 A C 2.282 179.992 177.584 0.209 0.000 1.186 144 A CA 1.503 53.645 52.037 0.174 0.000 0.624 144 A CB -0.415 18.707 19.000 0.204 0.000 0.822 144 A HN 0.261 nan 8.150 nan 0.000 0.444 145 R N -1.577 118.971 120.500 0.079 0.000 2.090 145 R HA -0.054 4.289 4.340 0.004 0.000 0.228 145 R C 2.413 178.824 176.300 0.185 0.000 1.110 145 R CA 1.214 57.352 56.100 0.063 0.000 0.973 145 R CB -0.273 29.949 30.300 -0.130 0.000 0.869 145 R HN 0.379 nan 8.270 nan 0.000 0.440 146 R N 1.606 122.200 120.500 0.157 0.000 2.091 146 R HA -0.059 4.283 4.340 0.004 0.000 0.238 146 R C 2.022 178.602 176.300 0.466 0.000 1.136 146 R CA 1.366 57.611 56.100 0.242 0.000 0.959 146 R CB -0.810 29.552 30.300 0.103 0.000 0.856 146 R HN 0.194 nan 8.270 nan 0.000 0.437 147 L N -0.150 121.357 121.223 0.473 0.000 2.187 147 L HA -0.156 4.186 4.340 0.004 0.000 0.213 147 L C 1.848 178.934 176.870 0.360 0.000 1.100 147 L CA 1.004 56.074 54.840 0.384 0.000 0.765 147 L CB -0.265 41.843 42.059 0.082 0.000 0.904 147 L HN 0.209 nan 8.230 nan 0.000 0.437 148 L N -1.496 119.935 121.223 0.346 0.000 2.591 148 L HA -0.107 4.236 4.340 0.004 0.000 0.228 148 L C 2.082 179.129 176.870 0.294 0.000 1.133 148 L CA 0.002 54.991 54.840 0.249 0.000 0.880 148 L CB -0.327 41.796 42.059 0.106 0.000 1.033 148 L HN 0.507 nan 8.230 nan 0.000 0.450 149 W N 2.891 124.355 121.300 0.274 0.000 2.318 149 W HA -0.197 4.466 4.660 0.005 0.000 0.313 149 W C -0.963 175.622 176.519 0.109 0.000 1.221 149 W CA 1.166 58.653 57.345 0.238 0.000 1.266 149 W CB -1.155 28.466 29.460 0.268 0.000 1.150 149 W HN 0.115 nan 8.180 nan 0.000 0.496 150 P HA -0.233 nan 4.420 nan 0.000 0.217 150 P C 1.761 178.887 177.300 -0.290 0.000 1.151 150 P CA 2.307 65.216 63.100 -0.319 0.000 0.849 150 P CB -0.239 31.443 31.700 -0.031 0.000 0.787 151 V N -0.166 119.661 119.914 -0.145 0.000 2.283 151 V HA -0.208 3.914 4.120 0.004 0.000 0.243 151 V C 2.448 178.472 176.094 -0.116 0.000 1.039 151 V CA 1.874 64.147 62.300 -0.045 0.000 1.016 151 V CB -1.001 30.811 31.823 -0.017 0.000 0.650 151 V HN 0.045 nan 8.190 nan 0.000 0.449 152 K N 1.056 121.261 120.400 -0.325 0.000 2.103 152 K HA -0.223 4.099 4.320 0.004 0.000 0.207 152 K C 2.133 178.484 176.600 -0.415 0.000 1.048 152 K CA 1.815 57.853 56.287 -0.415 0.000 0.930 152 K CB -0.389 31.677 32.500 -0.723 0.000 0.716 152 K HN 0.413 nan 8.250 nan 0.000 0.444 153 K N 0.515 120.396 120.400 -0.866 0.000 2.057 153 K HA -0.203 4.120 4.320 0.004 0.000 0.207 153 K C 2.106 178.467 176.600 -0.398 0.000 1.049 153 K CA 1.753 57.490 56.287 -0.916 0.000 0.931 153 K CB -0.139 31.538 32.500 -1.371 0.000 0.714 153 K HN 0.121 nan 8.250 nan 0.000 0.440 154 K N -0.664 119.546 120.400 -0.316 0.000 2.103 154 K HA -0.133 4.190 4.320 0.004 0.000 0.204 154 K C 1.468 177.836 176.600 -0.386 0.000 1.052 154 K CA 1.298 57.409 56.287 -0.294 0.000 0.945 154 K CB -0.001 32.337 32.500 -0.271 0.000 0.722 154 K HN 0.191 nan 8.250 nan 0.000 0.443 155 Y N 0.187 120.409 120.300 -0.130 0.000 2.500 155 Y HA 0.177 4.729 4.550 0.003 0.000 0.270 155 Y C 1.564 177.442 175.900 -0.037 0.000 1.134 155 Y CA 0.346 58.403 58.100 -0.072 0.000 1.293 155 Y CB 0.106 38.530 38.460 -0.060 0.000 1.063 155 Y HN 0.331 nan 8.280 nan 0.000 0.534 156 G N 1.768 110.590 108.800 0.037 0.000 2.672 156 G HA2 -0.469 3.493 3.960 0.004 0.000 0.324 156 G HA3 -0.469 3.493 3.960 0.004 0.000 0.324 156 G C 1.360 176.347 174.900 0.145 0.000 1.286 156 G CA 1.089 46.231 45.100 0.070 0.000 1.004 156 G HN 0.474 nan 8.290 nan 0.000 0.548 157 K N 0.792 121.308 120.400 0.192 0.000 2.504 157 K HA 0.158 4.480 4.320 0.004 0.000 0.195 157 K C 1.942 178.784 176.600 0.403 0.000 1.036 157 K CA 1.383 57.865 56.287 0.324 0.000 0.984 157 K CB 0.038 32.764 32.500 0.377 0.000 0.788 157 K HN 0.460 nan 8.250 nan 0.000 0.488 158 K N 0.607 121.169 120.400 0.269 0.000 2.486 158 K HA 0.039 4.362 4.320 0.004 0.000 0.194 158 K C -0.221 176.529 176.600 0.250 0.000 1.033 158 K CA 0.194 56.602 56.287 0.201 0.000 1.004 158 K CB 0.060 32.636 32.500 0.127 0.000 0.798 158 K HN 0.076 nan 8.250 nan 0.000 0.495 159 L N 0.349 121.770 121.223 0.330 0.000 2.476 159 L HA 0.172 4.514 4.340 0.004 0.000 0.269 159 L C -0.605 176.385 176.870 0.200 0.000 0.965 159 L CA -0.479 54.542 54.840 0.301 0.000 0.845 159 L CB 1.846 43.973 42.059 0.114 0.000 1.259 159 L HN -0.040 nan 8.230 nan 0.000 0.403 160 S N 2.278 118.080 115.700 0.170 0.000 2.632 160 S HA 0.310 4.782 4.470 0.004 0.000 0.271 160 S C 0.719 175.313 174.600 -0.011 0.000 1.260 160 S CA -0.378 57.767 58.200 -0.092 0.000 1.010 160 S CB 0.655 63.593 63.200 -0.436 0.000 0.965 160 S HN 0.757 nan 8.310 nan 0.000 0.534 161 W N 1.170 122.430 121.300 -0.066 0.000 2.358 161 W HA -0.030 4.632 4.660 0.004 0.000 0.303 161 W C 2.803 179.270 176.519 -0.088 0.000 1.208 161 W CA 1.228 58.530 57.345 -0.072 0.000 1.274 161 W CB -0.701 28.668 29.460 -0.151 0.000 1.138 161 W HN 0.938 nan 8.180 nan 0.000 0.515 162 A N 0.413 123.297 122.820 0.107 0.000 1.884 162 A HA -0.290 4.032 4.320 0.004 0.000 0.219 162 A C 1.721 179.334 177.584 0.049 0.000 1.197 162 A CA 2.441 54.487 52.037 0.015 0.000 0.637 162 A CB -1.004 17.963 19.000 -0.055 0.000 0.827 162 A HN 0.202 nan 8.150 nan 0.000 0.450 163 D N -0.795 119.663 120.400 0.096 0.000 2.097 163 D HA -0.094 4.548 4.640 0.004 0.000 0.197 163 D C 1.892 178.324 176.300 0.220 0.000 0.984 163 D CA 1.266 55.370 54.000 0.174 0.000 0.826 163 D CB -0.421 40.579 40.800 0.332 0.000 0.973 163 D HN 0.319 nan 8.370 nan 0.000 0.460 164 L N 1.031 122.358 121.223 0.174 0.000 2.017 164 L HA -0.086 4.256 4.340 0.004 0.000 0.208 164 L C 2.158 179.091 176.870 0.105 0.000 1.073 164 L CA 1.334 56.257 54.840 0.139 0.000 0.745 164 L CB -0.590 41.480 42.059 0.018 0.000 0.894 164 L HN 0.001 nan 8.230 nan 0.000 0.432 165 I N -1.610 119.032 120.570 0.119 0.000 2.335 165 I HA -0.277 3.895 4.170 0.004 0.000 0.251 165 I C 2.293 178.430 176.117 0.032 0.000 1.129 165 I CA 1.215 62.546 61.300 0.051 0.000 1.402 165 I CB -0.218 37.808 38.000 0.043 0.000 1.069 165 I HN 0.173 nan 8.210 nan 0.000 0.424 166 V N -0.776 119.191 119.914 0.088 0.000 3.307 166 V HA -0.090 4.032 4.120 0.004 0.000 0.253 166 V C 1.782 177.994 176.094 0.198 0.000 1.149 166 V CA 0.550 62.922 62.300 0.120 0.000 1.112 166 V CB 0.200 32.051 31.823 0.048 0.000 0.777 166 V HN 0.326 nan 8.190 nan 0.000 0.464 167 F N 1.544 121.462 119.950 -0.054 0.000 2.293 167 F HA 0.121 4.650 4.527 0.004 0.000 0.297 167 F C 2.134 177.786 175.800 -0.247 0.000 1.089 167 F CA 1.238 58.956 58.000 -0.471 0.000 1.377 167 F CB -0.410 38.252 39.000 -0.564 0.000 1.051 167 F HN 0.150 nan 8.300 nan 0.000 0.511 168 A N -0.048 122.676 122.820 -0.160 0.000 2.015 168 A HA 0.033 4.355 4.320 0.004 0.000 0.219 168 A C 2.464 180.014 177.584 -0.057 0.000 1.163 168 A CA 1.419 53.334 52.037 -0.203 0.000 0.646 168 A CB -1.614 17.167 19.000 -0.365 0.000 0.806 168 A HN 0.454 nan 8.150 nan 0.000 0.448 169 G N -0.150 108.678 108.800 0.047 0.000 2.403 169 G HA2 -0.229 3.734 3.960 0.004 0.000 0.216 169 G HA3 -0.229 3.734 3.960 0.004 0.000 0.216 169 G C 1.468 176.465 174.900 0.161 0.000 1.154 169 G CA 1.087 46.325 45.100 0.230 0.000 0.784 169 G HN 0.589 nan 8.290 nan 0.000 0.538 170 N N -0.506 118.262 118.700 0.113 0.000 2.142 170 N HA -0.088 4.654 4.740 0.004 0.000 0.186 170 N C 2.083 177.457 175.510 -0.228 0.000 1.023 170 N CA 1.215 54.291 53.050 0.044 0.000 0.852 170 N CB -0.387 38.084 38.487 -0.027 0.000 0.998 170 N HN 0.242 nan 8.380 nan 0.000 0.424 171 C N -0.078 118.959 119.300 -0.439 0.000 2.429 171 C HA 0.053 4.516 4.460 0.004 0.000 0.277 171 C C 2.784 177.688 174.990 -0.142 0.000 1.262 171 C CA 0.778 59.566 59.018 -0.384 0.000 1.733 171 C CB -1.451 26.002 27.740 -0.478 0.000 2.010 171 C HN 0.589 nan 8.230 nan 0.000 0.483 172 A N 0.396 123.183 122.820 -0.055 0.000 1.892 172 A HA -0.176 4.147 4.320 0.004 0.000 0.218 172 A C 2.114 179.616 177.584 -0.136 0.000 1.188 172 A CA 1.711 53.755 52.037 0.013 0.000 0.631 172 A CB -0.704 18.337 19.000 0.069 0.000 0.822 172 A HN 0.619 nan 8.150 nan 0.000 0.447 173 L N -0.673 120.398 121.223 -0.253 0.000 2.012 173 L HA -0.224 4.118 4.340 0.004 0.000 0.210 173 L C 2.747 179.570 176.870 -0.078 0.000 1.073 173 L CA 1.764 56.422 54.840 -0.302 0.000 0.748 173 L CB -0.656 41.189 42.059 -0.357 0.000 0.891 173 L HN 0.480 nan 8.230 nan 0.000 0.431 174 E N -0.245 119.909 120.200 -0.077 0.000 2.110 174 E HA -0.207 4.145 4.350 0.004 0.000 0.193 174 E C 2.275 178.878 176.600 0.005 0.000 0.988 174 E CA 1.649 58.021 56.400 -0.046 0.000 0.804 174 E CB -0.144 29.509 29.700 -0.078 0.000 0.745 174 E HN 0.517 nan 8.360 nan 0.000 0.458 175 S N 0.179 115.894 115.700 0.025 0.000 2.481 175 S HA -0.038 4.434 4.470 0.004 0.000 0.231 175 S C 1.705 176.387 174.600 0.137 0.000 0.996 175 S CA 0.545 58.797 58.200 0.087 0.000 0.942 175 S CB -0.092 63.185 63.200 0.129 0.000 0.768 175 S HN 0.139 nan 8.310 nan 0.000 0.520 176 M N 0.758 120.439 119.600 0.135 0.000 2.475 176 M HA 0.338 4.820 4.480 0.004 0.000 0.261 176 M C 1.334 177.819 176.300 0.309 0.000 1.177 176 M CA 0.423 55.850 55.300 0.212 0.000 0.979 176 M CB 0.660 33.408 32.600 0.247 0.000 1.482 176 M HN 0.596 nan 8.290 nan 0.000 0.484 177 G N 0.973 109.906 108.800 0.221 0.000 2.201 177 G HA2 -0.249 3.713 3.960 0.004 0.000 0.212 177 G HA3 -0.249 3.713 3.960 0.004 0.000 0.212 177 G C -0.289 174.700 174.900 0.149 0.000 0.994 177 G CA -0.653 44.585 45.100 0.230 0.000 0.644 177 G HN 0.408 nan 8.290 nan 0.000 0.508 178 F N 1.920 121.813 119.950 -0.095 0.000 2.415 178 F HA 0.742 5.271 4.527 0.004 0.000 0.348 178 F C 0.317 175.954 175.800 -0.273 0.000 1.119 178 F CA -1.740 56.020 58.000 -0.399 0.000 1.069 178 F CB 1.584 40.256 39.000 -0.546 0.000 1.124 178 F HN -0.024 nan 8.300 nan 0.000 0.472 179 K N 4.761 124.587 120.400 -0.956 0.000 2.273 179 K HA 0.248 4.570 4.320 0.004 0.000 0.287 179 K C -0.106 176.026 176.600 -0.780 0.000 1.089 179 K CA -0.291 55.610 56.287 -0.643 0.000 0.909 179 K CB 0.165 32.389 32.500 -0.460 0.000 1.123 179 K HN 0.717 nan 8.250 nan 0.000 0.473 180 T N 1.282 115.622 114.554 -0.356 0.000 2.828 180 T HA 0.099 4.452 4.350 0.004 0.000 0.290 180 T C 0.966 175.669 174.700 0.005 0.000 1.019 180 T CA -0.539 61.509 62.100 -0.087 0.000 1.031 180 T CB 0.465 69.419 68.868 0.143 0.000 1.001 180 T HN 0.503 nan 8.240 nan 0.000 0.531 181 F N 1.388 121.336 119.950 -0.002 0.000 2.234 181 F HA 0.341 4.870 4.527 0.004 0.000 0.299 181 F C 1.222 176.962 175.800 -0.101 0.000 1.087 181 F CA 1.425 59.369 58.000 -0.093 0.000 1.340 181 F CB -0.472 38.436 39.000 -0.153 0.000 1.031 181 F HN 1.175 nan 8.300 nan 0.000 0.500 182 G N -1.359 107.509 108.800 0.113 0.000 2.343 182 G HA2 0.328 4.290 3.960 0.004 0.000 0.289 182 G HA3 0.328 4.290 3.960 0.004 0.000 0.289 182 G C -2.072 173.228 174.900 0.667 0.000 1.295 182 G CA -0.400 44.793 45.100 0.155 0.000 0.869 182 G HN 0.254 nan 8.290 nan 0.000 0.522 183 F N -0.558 119.652 119.950 0.433 0.000 2.703 183 F HA 0.674 5.203 4.527 0.005 0.000 0.308 183 F C -0.270 175.710 175.800 0.300 0.000 1.126 183 F CA 0.321 58.606 58.000 0.475 0.000 0.959 183 F CB 1.856 41.088 39.000 0.387 0.000 1.297 183 F HN 1.256 nan 8.300 nan 0.000 0.441 184 G N 2.949 111.462 108.800 -0.479 0.000 2.662 184 G HA2 0.606 4.569 3.960 0.004 0.000 0.302 184 G HA3 0.606 4.569 3.960 0.004 0.000 0.302 184 G C -2.131 172.353 174.900 -0.693 0.000 1.389 184 G CA -0.547 44.365 45.100 -0.313 0.000 0.998 184 G HN 0.432 nan 8.290 nan 0.000 0.502 185 F N 0.207 120.026 119.950 -0.219 0.000 2.457 185 F HA 0.745 5.274 4.527 0.003 0.000 0.330 185 F C 1.294 177.028 175.800 -0.110 0.000 1.069 185 F CA 0.298 58.221 58.000 -0.128 0.000 1.009 185 F CB 2.363 41.331 39.000 -0.053 0.000 1.276 185 F HN 0.813 nan 8.300 nan 0.000 0.492 186 G N 0.279 109.213 108.800 0.224 0.000 2.935 186 G HA2 -0.119 3.843 3.960 0.004 0.000 0.213 186 G HA3 -0.119 3.843 3.960 0.004 0.000 0.213 186 G C -0.109 174.945 174.900 0.257 0.000 0.984 186 G CA -0.905 44.302 45.100 0.178 0.000 0.790 186 G HN 0.481 nan 8.290 nan 0.000 0.538 187 R N 1.062 121.671 120.500 0.182 0.000 2.421 187 R HA 0.429 4.771 4.340 0.004 0.000 0.305 187 R C -0.082 176.220 176.300 0.003 0.000 1.039 187 R CA -0.041 56.089 56.100 0.051 0.000 1.003 187 R CB 1.351 31.628 30.300 -0.038 0.000 0.959 187 R HN 0.069 nan 8.270 nan 0.000 0.427 188 V N 3.854 123.759 119.914 -0.016 0.000 2.465 188 V HA 0.039 4.161 4.120 0.004 0.000 0.279 188 V C 0.427 176.430 176.094 -0.152 0.000 1.045 188 V CA -0.591 61.634 62.300 -0.124 0.000 0.938 188 V CB 1.333 33.206 31.823 0.083 0.000 0.986 188 V HN 0.640 nan 8.190 nan 0.000 0.467 189 D N 3.543 123.793 120.400 -0.250 0.000 2.399 189 D HA 0.256 4.898 4.640 0.004 0.000 0.241 189 D C 0.091 176.122 176.300 -0.450 0.000 1.133 189 D CA 0.285 54.083 54.000 -0.337 0.000 0.890 189 D CB 0.892 41.434 40.800 -0.429 0.000 1.201 189 D HN 0.580 nan 8.370 nan 0.000 0.432 190 Q N 0.638 120.111 119.800 -0.544 0.000 2.378 190 Q HA 0.405 4.747 4.340 0.004 0.000 0.276 190 Q C -0.145 175.353 176.000 -0.836 0.000 1.083 190 Q CA -0.752 54.751 55.803 -0.500 0.000 0.856 190 Q CB 1.743 30.411 28.738 -0.116 0.000 1.383 190 Q HN 0.535 nan 8.270 nan 0.000 0.458 191 W N -0.166 121.166 121.300 0.054 0.000 2.684 191 W HA 0.346 5.008 4.660 0.004 0.000 0.381 191 W C 0.141 176.442 176.519 -0.364 0.000 0.975 191 W CA -0.170 57.151 57.345 -0.041 0.000 1.789 191 W CB 1.192 30.654 29.460 0.004 0.000 1.161 191 W HN 0.436 nan 8.180 nan 0.000 0.564 192 E N 0.884 120.861 120.200 -0.372 0.000 2.321 192 E HA 0.288 4.640 4.350 0.004 0.000 0.278 192 E C -2.712 173.600 176.600 -0.479 0.000 0.902 192 E CA -2.290 53.857 56.400 -0.422 0.000 0.758 192 E CB 2.621 32.245 29.700 -0.127 0.000 1.213 192 E HN -0.356 nan 8.360 nan 0.000 0.426 193 P HA 0.126 nan 4.420 nan 0.000 0.271 193 P C -1.231 176.038 177.300 -0.052 0.000 1.218 193 P CA -0.243 62.744 63.100 -0.189 0.000 0.780 193 P CB 0.524 32.167 31.700 -0.094 0.000 0.901 194 D N 1.984 122.397 120.400 0.021 0.000 2.317 194 D HA 0.044 4.686 4.640 0.004 0.000 0.252 194 D C 0.414 176.741 176.300 0.045 0.000 1.174 194 D CA -0.036 53.981 54.000 0.028 0.000 0.866 194 D CB 0.454 41.275 40.800 0.035 0.000 1.127 194 D HN 0.437 nan 8.370 nan 0.000 0.467 195 E N 0.984 121.196 120.200 0.019 0.000 2.104 195 E HA 0.288 4.640 4.350 0.004 0.000 0.278 195 E C -0.551 176.011 176.600 -0.063 0.000 1.127 195 E CA -0.460 55.951 56.400 0.018 0.000 0.897 195 E CB 0.728 30.439 29.700 0.019 0.000 1.043 195 E HN -0.001 nan 8.360 nan 0.000 0.410 196 V N 3.488 123.302 119.914 -0.167 0.000 2.864 196 V HA 0.165 4.288 4.120 0.004 0.000 0.314 196 V C -0.819 174.903 176.094 -0.620 0.000 1.073 196 V CA -1.197 60.812 62.300 -0.486 0.000 0.956 196 V CB 1.505 32.768 31.823 -0.933 0.000 1.023 196 V HN 0.674 nan 8.190 nan 0.000 0.435 197 Y N 1.606 121.553 120.300 -0.589 0.000 2.436 197 Y HA 0.288 4.840 4.550 0.004 0.000 0.343 197 Y C 0.078 175.705 175.900 -0.455 0.000 1.008 197 Y CA -0.655 57.218 58.100 -0.379 0.000 1.241 197 Y CB 0.816 39.145 38.460 -0.218 0.000 1.153 197 Y HN 0.752 nan 8.280 nan 0.000 0.521 198 W N 4.200 125.262 121.300 -0.397 0.000 3.008 198 W HA 0.515 5.177 4.660 0.004 0.000 0.355 198 W C 0.643 176.816 176.519 -0.576 0.000 1.095 198 W CA 0.336 57.506 57.345 -0.291 0.000 1.738 198 W CB 0.644 30.141 29.460 0.060 0.000 1.091 198 W HN 0.989 nan 8.180 nan 0.000 0.574 199 G N 1.023 109.162 108.800 -1.102 0.000 2.351 199 G HA2 -0.106 3.856 3.960 0.004 0.000 0.353 199 G HA3 -0.106 3.856 3.960 0.004 0.000 0.353 199 G C 0.183 174.763 174.900 -0.532 0.000 1.358 199 G CA -0.326 44.287 45.100 -0.810 0.000 0.995 199 G HN 0.086 nan 8.290 nan 0.000 0.611 200 K N -0.526 119.799 120.400 -0.126 0.000 2.352 200 K HA 0.274 4.596 4.320 0.004 0.000 0.194 200 K C 0.298 176.862 176.600 -0.060 0.000 1.038 200 K CA 0.437 56.734 56.287 0.017 0.000 1.023 200 K CB 0.323 32.883 32.500 0.099 0.000 0.840 200 K HN 0.373 nan 8.250 nan 0.000 0.519 201 E N 1.401 121.538 120.200 -0.104 0.000 2.529 201 E HA -0.011 4.341 4.350 0.004 0.000 0.259 201 E C 0.222 176.705 176.600 -0.195 0.000 0.966 201 E CA 0.361 56.685 56.400 -0.127 0.000 0.937 201 E CB 1.019 30.642 29.700 -0.128 0.000 0.923 201 E HN 0.403 nan 8.360 nan 0.000 0.468 202 A N 3.351 126.065 122.820 -0.177 0.000 2.423 202 A HA 0.148 4.471 4.320 0.004 0.000 0.246 202 A C 0.099 177.515 177.584 -0.280 0.000 1.278 202 A CA -0.132 51.771 52.037 -0.223 0.000 0.903 202 A CB 0.244 19.161 19.000 -0.138 0.000 0.997 202 A HN 0.447 nan 8.150 nan 0.000 0.510 203 T N -0.434 113.962 114.554 -0.264 0.000 2.841 203 T HA 0.375 4.727 4.350 0.004 0.000 0.285 203 T C -0.546 174.023 174.700 -0.218 0.000 0.991 203 T CA -0.459 61.515 62.100 -0.210 0.000 0.966 203 T CB 0.636 69.457 68.868 -0.077 0.000 0.962 203 T HN 0.403 nan 8.240 nan 0.000 0.438 204 W N 3.090 124.365 121.300 -0.042 0.000 2.209 204 W HA 0.287 4.950 4.660 0.004 0.000 0.344 204 W C 1.117 177.590 176.519 -0.077 0.000 1.285 204 W CA -0.333 56.966 57.345 -0.078 0.000 1.267 204 W CB 0.028 29.460 29.460 -0.046 0.000 1.167 204 W HN 0.687 nan 8.180 nan 0.000 0.574 205 L N 1.147 122.471 121.223 0.168 0.000 4.813 205 L HA -0.238 4.105 4.340 0.004 0.000 0.434 205 L C 1.132 178.020 176.870 0.029 0.000 1.106 205 L CA 0.648 55.527 54.840 0.064 0.000 0.991 205 L CB -2.186 39.920 42.059 0.079 0.000 2.005 205 L HN 0.725 nan 8.230 nan 0.000 0.817 206 G N -0.005 108.794 108.800 -0.001 0.000 2.636 206 G HA2 0.366 4.328 3.960 0.004 0.000 0.246 206 G HA3 0.366 4.328 3.960 0.004 0.000 0.246 206 G C -0.501 174.396 174.900 -0.006 0.000 1.216 206 G CA 0.530 45.621 45.100 -0.015 0.000 0.854 206 G HN 0.230 nan 8.290 nan 0.000 0.572 207 D N -0.653 119.758 120.400 0.018 0.000 2.602 207 D HA 0.263 4.905 4.640 0.004 0.000 0.245 207 D C -0.227 176.111 176.300 0.063 0.000 1.325 207 D CA -0.529 53.505 54.000 0.057 0.000 0.952 207 D CB 1.267 42.128 40.800 0.102 0.000 1.317 207 D HN 0.390 nan 8.370 nan 0.000 0.577 208 E N 2.593 122.822 120.200 0.049 0.000 3.067 208 E HA 0.115 4.467 4.350 0.004 0.000 0.188 208 E C 0.301 176.922 176.600 0.036 0.000 0.964 208 E CA 0.010 56.437 56.400 0.045 0.000 1.286 208 E CB 0.809 30.518 29.700 0.015 0.000 1.051 208 E HN 0.409 nan 8.360 nan 0.000 0.465 209 R N -0.024 120.498 120.500 0.036 0.000 2.633 209 R HA 0.283 4.626 4.340 0.004 0.000 0.348 209 R C -0.636 175.509 176.300 -0.258 0.000 1.100 209 R CA -0.246 55.794 56.100 -0.099 0.000 1.068 209 R CB -0.091 30.104 30.300 -0.175 0.000 1.351 209 R HN -0.058 nan 8.270 nan 0.000 0.575 210 Y N 0.480 120.785 120.300 0.009 0.000 2.477 210 Y HA 0.445 4.997 4.550 0.004 0.000 0.347 210 Y C -0.019 175.886 175.900 0.008 0.000 0.981 210 Y CA -0.580 57.526 58.100 0.010 0.000 1.033 210 Y CB 2.545 41.014 38.460 0.015 0.000 1.245 210 Y HN 0.232 nan 8.280 nan 0.000 0.455 211 S N 0.706 116.505 115.700 0.164 0.000 2.618 211 S HA 0.873 5.346 4.470 0.004 0.000 0.277 211 S C 0.047 174.704 174.600 0.095 0.000 1.138 211 S CA -0.376 57.882 58.200 0.096 0.000 0.844 211 S CB 1.611 64.837 63.200 0.043 0.000 1.127 211 S HN 1.573 nan 8.310 nan 0.000 0.474 212 G N 1.704 110.542 108.800 0.064 0.000 2.574 212 G HA2 -0.251 3.711 3.960 0.004 0.000 0.282 212 G HA3 -0.251 3.711 3.960 0.004 0.000 0.282 212 G C -0.577 174.359 174.900 0.061 0.000 1.257 212 G CA 0.131 45.263 45.100 0.053 0.000 0.956 212 G HN 0.961 nan 8.290 nan 0.000 0.560 213 K N 1.046 121.479 120.400 0.055 0.000 2.127 213 K HA 0.361 4.683 4.320 0.004 0.000 0.261 213 K C 0.873 177.517 176.600 0.074 0.000 1.129 213 K CA -0.001 56.315 56.287 0.048 0.000 0.993 213 K CB 0.272 32.793 32.500 0.036 0.000 1.410 213 K HN 0.639 nan 8.250 nan 0.000 0.380 214 R N 2.200 122.751 120.500 0.085 0.000 3.333 214 R HA -0.175 4.168 4.340 0.004 0.000 0.256 214 R C -1.479 175.018 176.300 0.328 0.000 1.010 214 R CA 0.499 56.679 56.100 0.133 0.000 0.680 214 R CB -1.654 28.657 30.300 0.018 0.000 1.102 214 R HN 0.532 nan 8.270 nan 0.000 0.440 215 D N 0.873 121.462 120.400 0.315 0.000 2.329 215 D HA 0.188 4.830 4.640 0.004 0.000 0.232 215 D C 0.162 176.483 176.300 0.035 0.000 1.088 215 D CA -0.578 53.528 54.000 0.176 0.000 0.835 215 D CB 1.058 41.907 40.800 0.082 0.000 1.078 215 D HN 0.067 nan 8.370 nan 0.000 0.495 216 L N 2.718 123.854 121.223 -0.144 0.000 2.380 216 L HA 0.128 4.470 4.340 0.004 0.000 0.273 216 L C 0.598 177.302 176.870 -0.277 0.000 1.138 216 L CA -0.282 54.248 54.840 -0.516 0.000 0.832 216 L CB 0.553 42.367 42.059 -0.408 0.000 1.124 216 L HN 0.342 nan 8.230 nan 0.000 0.454 217 E N 2.746 122.777 120.200 -0.282 0.000 2.354 217 E HA 0.192 4.545 4.350 0.004 0.000 0.269 217 E C -0.731 175.761 176.600 -0.180 0.000 1.036 217 E CA -0.466 55.829 56.400 -0.174 0.000 0.876 217 E CB 0.381 30.013 29.700 -0.114 0.000 1.009 217 E HN 0.630 nan 8.360 nan 0.000 0.416 218 N N 2.939 121.497 118.700 -0.236 0.000 2.513 218 N HA 0.115 4.857 4.740 0.004 0.000 0.274 218 N C -1.697 173.654 175.510 -0.265 0.000 1.189 218 N CA -1.359 51.443 53.050 -0.413 0.000 0.975 218 N CB 0.848 38.818 38.487 -0.863 0.000 1.157 218 N HN 0.531 nan 8.380 nan 0.000 0.465 219 P HA 0.055 nan 4.420 nan 0.000 0.255 219 P C -0.322 176.922 177.300 -0.093 0.000 1.248 219 P CA 0.169 63.124 63.100 -0.241 0.000 0.807 219 P CB 0.345 32.079 31.700 0.057 0.000 1.150 220 L N 0.292 121.486 121.223 -0.048 0.000 2.640 220 L HA -0.024 4.318 4.340 0.004 0.000 0.300 220 L C 1.232 178.092 176.870 -0.017 0.000 1.259 220 L CA 0.611 55.440 54.840 -0.020 0.000 0.879 220 L CB -0.309 41.717 42.059 -0.056 0.000 1.125 220 L HN 0.038 nan 8.230 nan 0.000 0.507 221 A N 1.931 124.774 122.820 0.038 0.000 2.592 221 A HA 0.686 5.009 4.320 0.004 0.000 0.290 221 A C 0.184 177.833 177.584 0.108 0.000 0.998 221 A CA 0.414 52.493 52.037 0.070 0.000 0.983 221 A CB 0.427 19.475 19.000 0.080 0.000 1.240 221 A HN 0.769 nan 8.150 nan 0.000 0.535 222 A N -0.493 122.364 122.820 0.063 0.000 2.475 222 A HA 0.604 4.926 4.320 0.004 0.000 0.301 222 A C 0.856 178.478 177.584 0.064 0.000 1.059 222 A CA 0.197 52.270 52.037 0.060 0.000 0.710 222 A CB 0.919 19.890 19.000 -0.047 0.000 1.288 222 A HN 1.187 nan 8.150 nan 0.000 0.408 223 V N -1.415 118.581 119.914 0.136 0.000 3.217 223 V HA 0.156 4.278 4.120 0.004 0.000 0.264 223 V C 0.363 176.557 176.094 0.166 0.000 1.135 223 V CA 1.454 63.893 62.300 0.232 0.000 1.142 223 V CB -1.284 30.700 31.823 0.268 0.000 0.754 223 V HN 0.734 nan 8.190 nan 0.000 0.484 224 Q N -0.626 119.199 119.800 0.042 0.000 2.534 224 Q HA 0.537 4.879 4.340 0.004 0.000 0.290 224 Q C -1.216 174.708 176.000 -0.126 0.000 0.991 224 Q CA -1.041 54.756 55.803 -0.010 0.000 0.783 224 Q CB 2.145 30.890 28.738 0.011 0.000 1.470 224 Q HN 0.287 nan 8.270 nan 0.000 0.406 225 M N 1.152 120.672 119.600 -0.134 0.000 2.292 225 M HA 0.357 4.839 4.480 0.004 0.000 0.342 225 M C 0.664 176.803 176.300 -0.269 0.000 1.538 225 M CA 1.490 56.656 55.300 -0.223 0.000 1.163 225 M CB -0.616 31.872 32.600 -0.188 0.000 1.823 225 M HN 0.831 nan 8.290 nan 0.000 0.462 226 G N 3.864 112.206 108.800 -0.764 0.000 2.184 226 G HA2 -0.132 3.831 3.960 0.004 0.000 0.206 226 G HA3 -0.132 3.831 3.960 0.004 0.000 0.206 226 G C -0.310 174.078 174.900 -0.853 0.000 0.995 226 G CA -0.030 44.435 45.100 -1.058 0.000 0.651 226 G HN 0.672 nan 8.290 nan 0.000 0.511 227 L N 0.962 121.800 121.223 -0.642 0.000 2.334 227 L HA 0.526 4.869 4.340 0.004 0.000 0.270 227 L C 1.629 178.281 176.870 -0.363 0.000 1.018 227 L CA -1.421 53.209 54.840 -0.349 0.000 0.811 227 L CB 1.059 43.029 42.059 -0.148 0.000 1.271 227 L HN -0.157 nan 8.230 nan 0.000 0.443 228 I N 0.051 120.417 120.570 -0.340 0.000 2.480 228 I HA -0.098 4.074 4.170 0.004 0.000 0.251 228 I C 1.027 176.724 176.117 -0.700 0.000 1.124 228 I CA 1.821 62.750 61.300 -0.618 0.000 1.444 228 I CB -0.502 36.947 38.000 -0.919 0.000 1.098 228 I HN 0.656 nan 8.210 nan 0.000 0.428 229 Y N -0.727 119.577 120.300 0.007 0.000 3.326 229 Y HA 0.262 4.814 4.550 0.004 0.000 0.172 229 Y C 0.472 176.443 175.900 0.119 0.000 0.896 229 Y CA -0.356 57.786 58.100 0.070 0.000 1.808 229 Y CB 0.519 39.072 38.460 0.155 0.000 1.427 229 Y HN -0.190 nan 8.280 nan 0.000 0.334 230 V N -1.111 119.014 119.914 0.352 0.000 3.160 230 V HA 0.548 4.670 4.120 0.004 0.000 0.310 230 V C -1.115 175.110 176.094 0.219 0.000 1.181 230 V CA -1.111 61.353 62.300 0.273 0.000 1.047 230 V CB 1.869 33.874 31.823 0.303 0.000 1.068 230 V HN 0.291 nan 8.190 nan 0.000 0.441 231 N N 3.168 121.975 118.700 0.177 0.000 2.430 231 N HA 0.393 5.135 4.740 0.004 0.000 0.265 231 N C -1.480 174.138 175.510 0.181 0.000 1.100 231 N CA -1.812 51.331 53.050 0.156 0.000 0.961 231 N CB 1.708 40.271 38.487 0.126 0.000 1.075 231 N HN 0.664 nan 8.380 nan 0.000 0.478 232 P HA -0.057 nan 4.420 nan 0.000 0.226 232 P C -0.056 177.366 177.300 0.204 0.000 1.153 232 P CA 1.107 64.339 63.100 0.220 0.000 0.777 232 P CB 0.439 32.282 31.700 0.237 0.000 0.794 233 E N -0.023 120.293 120.200 0.194 0.000 2.444 233 E HA 0.336 4.688 4.350 0.004 0.000 0.191 233 E C 0.781 177.486 176.600 0.175 0.000 1.041 233 E CA -0.117 56.420 56.400 0.227 0.000 0.883 233 E CB 0.000 29.870 29.700 0.283 0.000 1.024 233 E HN 0.207 nan 8.360 nan 0.000 0.470 234 G N 2.294 111.181 108.800 0.144 0.000 2.746 234 G HA2 -0.187 3.775 3.960 0.004 0.000 0.685 234 G HA3 -0.187 3.775 3.960 0.004 0.000 0.685 234 G C -2.849 172.102 174.900 0.086 0.000 1.350 234 G CA -1.323 43.838 45.100 0.101 0.000 0.837 234 G HN -0.093 nan 8.290 nan 0.000 0.564 235 P HA 0.133 nan 4.420 nan 0.000 0.261 235 P C 0.523 177.839 177.300 0.028 0.000 1.183 235 P CA 0.793 63.910 63.100 0.027 0.000 0.761 235 P CB 0.157 31.850 31.700 -0.011 0.000 0.785 236 N N 2.926 121.645 118.700 0.033 0.000 2.678 236 N HA -0.228 4.514 4.740 0.004 0.000 0.250 236 N C 0.952 176.509 175.510 0.078 0.000 1.136 236 N CA 1.862 54.937 53.050 0.042 0.000 0.757 236 N CB -1.770 36.726 38.487 0.016 0.000 1.135 236 N HN 0.835 nan 8.380 nan 0.000 0.565 237 G N 0.042 108.906 108.800 0.107 0.000 2.141 237 G HA2 -0.339 3.623 3.960 0.004 0.000 0.242 237 G HA3 -0.339 3.623 3.960 0.004 0.000 0.242 237 G C -0.235 174.771 174.900 0.177 0.000 0.982 237 G CA 0.296 45.504 45.100 0.179 0.000 0.662 237 G HN 0.733 nan 8.290 nan 0.000 0.527 238 N N 0.868 119.608 118.700 0.066 0.000 2.437 238 N HA 0.443 5.185 4.740 0.004 0.000 0.243 238 N C -1.875 173.589 175.510 -0.076 0.000 1.041 238 N CA -2.018 51.013 53.050 -0.032 0.000 0.940 238 N CB 1.255 39.727 38.487 -0.024 0.000 1.133 238 N HN -0.085 nan 8.380 nan 0.000 0.506 239 P HA -0.078 nan 4.420 nan 0.000 0.278 239 P C -0.744 176.541 177.300 -0.025 0.000 1.366 239 P CA 0.503 63.505 63.100 -0.162 0.000 0.750 239 P CB -0.303 31.092 31.700 -0.508 0.000 1.271 240 D N 0.343 120.721 120.400 -0.037 0.000 2.359 240 D HA 0.038 4.680 4.640 0.004 0.000 0.250 240 D C -1.445 174.857 176.300 0.004 0.000 1.264 240 D CA -1.958 52.033 54.000 -0.015 0.000 0.911 240 D CB 0.973 41.757 40.800 -0.026 0.000 1.056 240 D HN 0.067 nan 8.370 nan 0.000 0.499 241 P HA -0.147 nan 4.420 nan 0.000 0.216 241 P C 1.462 178.757 177.300 -0.008 0.000 1.153 241 P CA 0.820 63.901 63.100 -0.032 0.000 0.848 241 P CB 0.138 31.763 31.700 -0.124 0.000 0.787 242 M N -0.314 119.278 119.600 -0.013 0.000 2.213 242 M HA -0.077 4.405 4.480 0.004 0.000 0.263 242 M C 1.828 178.134 176.300 0.010 0.000 1.062 242 M CA 1.766 57.064 55.300 -0.002 0.000 1.105 242 M CB -1.151 31.441 32.600 -0.012 0.000 1.385 242 M HN -0.143 nan 8.290 nan 0.000 0.417 243 A N -0.745 122.080 122.820 0.008 0.000 1.930 243 A HA 0.277 4.600 4.320 0.004 0.000 0.215 243 A C 2.312 179.916 177.584 0.034 0.000 1.176 243 A CA 1.267 53.311 52.037 0.011 0.000 0.632 243 A CB -1.193 17.805 19.000 -0.003 0.000 0.819 243 A HN 0.576 nan 8.150 nan 0.000 0.445 244 A N 0.214 123.061 122.820 0.045 0.000 1.940 244 A HA 0.125 4.448 4.320 0.004 0.000 0.219 244 A C 2.450 180.097 177.584 0.105 0.000 1.176 244 A CA 2.010 54.092 52.037 0.075 0.000 0.631 244 A CB -0.932 18.113 19.000 0.075 0.000 0.814 244 A HN 1.017 nan 8.150 nan 0.000 0.446 245 A N -0.530 122.356 122.820 0.109 0.000 1.908 245 A HA -0.048 4.275 4.320 0.004 0.000 0.218 245 A C 2.211 179.890 177.584 0.157 0.000 1.181 245 A CA 1.818 53.970 52.037 0.191 0.000 0.627 245 A CB -0.976 18.140 19.000 0.193 0.000 0.818 245 A HN 0.414 nan 8.150 nan 0.000 0.445 246 V N 0.514 120.480 119.914 0.088 0.000 2.392 246 V HA -0.270 3.852 4.120 0.004 0.000 0.249 246 V C 2.123 178.290 176.094 0.121 0.000 1.059 246 V CA 2.471 64.814 62.300 0.073 0.000 1.051 246 V CB -0.795 31.054 31.823 0.045 0.000 0.658 246 V HN 0.517 nan 8.190 nan 0.000 0.455 247 D N -0.350 120.133 120.400 0.138 0.000 2.149 247 D HA -0.036 4.607 4.640 0.004 0.000 0.201 247 D C 2.046 178.492 176.300 0.243 0.000 0.972 247 D CA 0.985 55.097 54.000 0.186 0.000 0.835 247 D CB -0.146 40.755 40.800 0.168 0.000 0.966 247 D HN 0.377 nan 8.370 nan 0.000 0.476 248 I N 0.434 121.148 120.570 0.239 0.000 2.226 248 I HA -0.237 3.935 4.170 0.004 0.000 0.245 248 I C 2.507 178.813 176.117 0.315 0.000 1.100 248 I CA 0.854 62.324 61.300 0.283 0.000 1.374 248 I CB -0.136 37.936 38.000 0.119 0.000 1.057 248 I HN -0.063 nan 8.210 nan 0.000 0.413 249 R N 0.917 121.573 120.500 0.260 0.000 2.081 249 R HA -0.250 4.092 4.340 0.004 0.000 0.235 249 R C 2.209 178.636 176.300 0.212 0.000 1.131 249 R CA 1.928 58.157 56.100 0.215 0.000 0.960 249 R CB -0.066 30.290 30.300 0.094 0.000 0.856 249 R HN 0.231 nan 8.270 nan 0.000 0.436 250 E N -0.276 120.046 120.200 0.203 0.000 2.051 250 E HA -0.109 4.243 4.350 0.004 0.000 0.189 250 E C 1.817 178.537 176.600 0.200 0.000 0.979 250 E CA 2.089 58.599 56.400 0.182 0.000 0.803 250 E CB -0.168 29.634 29.700 0.170 0.000 0.761 250 E HN 0.465 nan 8.360 nan 0.000 0.451 251 T N -1.767 112.932 114.554 0.241 0.000 2.833 251 T HA -0.116 4.236 4.350 0.004 0.000 0.269 251 T C 1.775 176.557 174.700 0.136 0.000 1.054 251 T CA 1.092 63.325 62.100 0.221 0.000 1.135 251 T CB -0.580 68.467 68.868 0.298 0.000 0.869 251 T HN 0.101 nan 8.240 nan 0.000 0.466 252 F N 1.421 121.387 119.950 0.027 0.000 2.234 252 F HA 0.313 4.842 4.527 0.004 0.000 0.296 252 F C 2.865 178.699 175.800 0.056 0.000 1.089 252 F CA 0.459 58.430 58.000 -0.047 0.000 1.343 252 F CB -0.294 38.644 39.000 -0.103 0.000 1.040 252 F HN 0.026 nan 8.300 nan 0.000 0.498 253 R N 0.631 121.281 120.500 0.250 0.000 2.096 253 R HA -0.120 4.223 4.340 0.004 0.000 0.235 253 R C 1.986 178.374 176.300 0.147 0.000 1.127 253 R CA 1.295 57.502 56.100 0.178 0.000 0.968 253 R CB -0.124 30.265 30.300 0.147 0.000 0.861 253 R HN 0.189 nan 8.270 nan 0.000 0.440 254 R N -0.489 120.093 120.500 0.135 0.000 2.323 254 R HA 0.037 4.379 4.340 0.004 0.000 0.198 254 R C 0.952 177.313 176.300 0.101 0.000 0.988 254 R CA 0.577 56.738 56.100 0.101 0.000 1.041 254 R CB 0.194 30.543 30.300 0.083 0.000 0.926 254 R HN 0.295 nan 8.270 nan 0.000 0.476 255 M N -0.442 119.250 119.600 0.153 0.000 2.589 255 M HA 0.274 4.757 4.480 0.004 0.000 0.344 255 M C 0.110 176.559 176.300 0.249 0.000 1.168 255 M CA -0.201 55.244 55.300 0.241 0.000 0.956 255 M CB 1.361 34.120 32.600 0.266 0.000 1.370 255 M HN 0.102 nan 8.290 nan 0.000 0.518 256 A N 0.731 123.667 122.820 0.192 0.000 2.925 256 A HA -0.147 4.175 4.320 0.004 0.000 0.265 256 A C -0.085 177.557 177.584 0.096 0.000 1.419 256 A CA 0.863 52.982 52.037 0.137 0.000 0.807 256 A CB -1.487 17.587 19.000 0.122 0.000 1.043 256 A HN 0.494 nan 8.150 nan 0.000 0.600 257 M N 0.825 120.518 119.600 0.154 0.000 2.253 257 M HA 0.361 4.843 4.480 0.004 0.000 0.314 257 M C 0.355 176.755 176.300 0.167 0.000 1.019 257 M CA -0.719 54.681 55.300 0.166 0.000 0.932 257 M CB 1.322 34.090 32.600 0.279 0.000 1.606 257 M HN 0.644 nan 8.290 nan 0.000 0.430 258 N N 1.649 120.427 118.700 0.130 0.000 2.328 258 N HA 0.159 4.901 4.740 0.004 0.000 0.277 258 N C 0.290 175.872 175.510 0.119 0.000 1.286 258 N CA -0.157 52.964 53.050 0.117 0.000 0.949 258 N CB 0.452 39.001 38.487 0.103 0.000 1.136 258 N HN 0.421 nan 8.380 nan 0.000 0.550 259 D N -0.748 119.713 120.400 0.102 0.000 2.092 259 D HA -0.115 4.528 4.640 0.004 0.000 0.193 259 D C 1.847 178.242 176.300 0.158 0.000 0.994 259 D CA 1.251 55.332 54.000 0.134 0.000 0.828 259 D CB -0.372 40.448 40.800 0.033 0.000 0.963 259 D HN 0.277 nan 8.370 nan 0.000 0.450 260 V N 1.431 121.424 119.914 0.133 0.000 2.407 260 V HA -0.218 3.904 4.120 0.004 0.000 0.248 260 V C 2.252 178.508 176.094 0.269 0.000 1.055 260 V CA 1.651 64.068 62.300 0.195 0.000 1.049 260 V CB -0.454 31.491 31.823 0.202 0.000 0.662 260 V HN 0.204 nan 8.190 nan 0.000 0.455 261 E N -0.271 120.039 120.200 0.183 0.000 2.072 261 E HA -0.137 4.216 4.350 0.004 0.000 0.190 261 E C 2.297 178.947 176.600 0.084 0.000 0.982 261 E CA 1.580 58.078 56.400 0.163 0.000 0.803 261 E CB -0.298 29.483 29.700 0.134 0.000 0.755 261 E HN 0.566 nan 8.360 nan 0.000 0.453 262 T N 1.286 115.825 114.554 -0.025 0.000 2.674 262 T HA -0.194 4.158 4.350 0.004 0.000 0.265 262 T C 2.087 176.533 174.700 -0.424 0.000 1.039 262 T CA 1.407 63.265 62.100 -0.403 0.000 1.150 262 T CB -0.330 68.188 68.868 -0.583 0.000 0.864 262 T HN 0.252 nan 8.240 nan 0.000 0.427 263 A N 1.593 124.279 122.820 -0.223 0.000 1.883 263 A HA 0.073 4.395 4.320 0.004 0.000 0.217 263 A C 2.677 180.299 177.584 0.063 0.000 1.186 263 A CA 2.067 54.010 52.037 -0.157 0.000 0.624 263 A CB -1.254 17.735 19.000 -0.017 0.000 0.822 263 A HN 0.523 nan 8.150 nan 0.000 0.444 264 A N -0.374 122.606 122.820 0.267 0.000 1.908 264 A HA -0.092 4.230 4.320 0.004 0.000 0.218 264 A C 2.211 179.736 177.584 -0.098 0.000 1.181 264 A CA 1.627 53.703 52.037 0.064 0.000 0.627 264 A CB -0.614 18.481 19.000 0.158 0.000 0.818 264 A HN 0.491 nan 8.150 nan 0.000 0.445 265 L N -0.758 120.443 121.223 -0.036 0.000 2.027 265 L HA -0.165 4.177 4.340 0.004 0.000 0.206 265 L C 2.533 179.140 176.870 -0.439 0.000 1.074 265 L CA 1.348 56.154 54.840 -0.056 0.000 0.745 265 L CB -0.540 41.526 42.059 0.011 0.000 0.898 265 L HN 0.390 nan 8.230 nan 0.000 0.433 266 I N -0.955 119.271 120.570 -0.574 0.000 2.179 266 I HA -0.259 3.913 4.170 0.004 0.000 0.242 266 I C 2.481 177.978 176.117 -1.035 0.000 1.088 266 I CA 1.055 61.856 61.300 -0.831 0.000 1.357 266 I CB -0.412 37.149 38.000 -0.732 0.000 1.051 266 I HN -0.002 nan 8.210 nan 0.000 0.409 267 V N 1.269 120.664 119.914 -0.865 0.000 2.255 267 V HA -0.243 3.879 4.120 0.004 0.000 0.247 267 V C 2.663 178.114 176.094 -1.071 0.000 1.051 267 V CA 2.306 63.958 62.300 -1.080 0.000 1.018 267 V CB -1.573 29.947 31.823 -0.506 0.000 0.641 267 V HN 0.591 nan 8.190 nan 0.000 0.445 268 G N -0.082 108.065 108.800 -1.089 0.000 2.476 268 G HA2 -0.204 3.758 3.960 0.004 0.000 0.218 268 G HA3 -0.204 3.758 3.960 0.004 0.000 0.218 268 G C 1.595 175.967 174.900 -0.880 0.000 1.164 268 G CA 1.132 45.296 45.100 -1.560 0.000 0.768 268 G HN 0.605 nan 8.290 nan 0.000 0.560 269 G N -0.437 107.938 108.800 -0.710 0.000 2.394 269 G HA2 -0.111 3.851 3.960 0.004 0.000 0.214 269 G HA3 -0.111 3.851 3.960 0.004 0.000 0.214 269 G C 1.380 176.107 174.900 -0.289 0.000 1.176 269 G CA 0.642 45.541 45.100 -0.333 0.000 0.786 269 G HN 0.649 nan 8.290 nan 0.000 0.533 270 H N -0.006 118.545 119.070 -0.866 0.000 2.562 270 H HA 0.102 4.660 4.556 0.004 0.000 0.274 270 H C 1.758 176.690 175.328 -0.659 0.000 1.038 270 H CA 0.165 55.478 56.048 -1.226 0.000 1.161 270 H CB 0.342 28.940 29.762 -1.940 0.000 1.318 270 H HN 0.232 nan 8.280 nan 0.000 0.617 271 T N 0.168 114.445 114.554 -0.462 0.000 3.081 271 T HA 0.034 4.386 4.350 0.004 0.000 0.255 271 T C -0.122 174.221 174.700 -0.596 0.000 1.113 271 T CA 0.504 62.272 62.100 -0.554 0.000 1.082 271 T CB 0.097 68.409 68.868 -0.927 0.000 0.939 271 T HN 0.068 nan 8.240 nan 0.000 0.506 272 F N 0.260 120.178 119.950 -0.053 0.000 2.546 272 F HA 0.603 5.132 4.527 0.003 0.000 0.320 272 F C 1.210 177.125 175.800 0.191 0.000 1.076 272 F CA -0.651 57.367 58.000 0.029 0.000 0.928 272 F CB 1.252 40.251 39.000 -0.002 0.000 1.189 272 F HN 0.191 nan 8.300 nan 0.000 0.465 273 G N 2.409 111.408 108.800 0.333 0.000 2.552 273 G HA2 -0.101 3.862 3.960 0.004 0.000 0.265 273 G HA3 -0.101 3.862 3.960 0.004 0.000 0.265 273 G C -0.794 174.293 174.900 0.312 0.000 1.234 273 G CA 0.243 45.547 45.100 0.341 0.000 0.944 273 G HN 1.095 nan 8.290 nan 0.000 0.568 274 K N -2.378 118.154 120.400 0.221 0.000 2.670 274 K HA 0.703 5.025 4.320 0.004 0.000 0.289 274 K C -0.330 176.094 176.600 -0.294 0.000 1.045 274 K CA -0.177 55.977 56.287 -0.222 0.000 0.834 274 K CB 0.921 33.297 32.500 -0.205 0.000 1.531 274 K HN 1.476 nan 8.250 nan 0.000 0.376 275 T N -1.546 112.685 114.554 -0.539 0.000 2.948 275 T HA 0.572 4.924 4.350 0.004 0.000 0.285 275 T C -0.919 173.449 174.700 -0.553 0.000 1.019 275 T CA -0.568 61.337 62.100 -0.325 0.000 1.013 275 T CB 0.927 69.641 68.868 -0.257 0.000 1.117 275 T HN 0.628 nan 8.240 nan 0.000 0.533 276 H N -1.234 117.833 119.070 -0.005 0.000 2.689 276 H HA 0.651 5.209 4.556 0.004 0.000 0.346 276 H C 0.398 175.714 175.328 -0.020 0.000 1.037 276 H CA -0.567 55.482 56.048 0.001 0.000 1.234 276 H CB 1.867 31.662 29.762 0.054 0.000 1.572 276 H HN 1.083 nan 8.280 nan 0.000 0.524 277 G N 1.108 109.927 108.800 0.032 0.000 5.528 277 G HA2 0.340 4.302 3.960 0.004 0.000 0.194 277 G HA3 0.340 4.302 3.960 0.004 0.000 0.194 277 G C 1.026 175.872 174.900 -0.090 0.000 0.679 277 G CA 0.137 45.217 45.100 -0.034 0.000 0.640 277 G HN 0.752 nan 8.290 nan 0.000 0.397 278 A N -0.338 122.456 122.820 -0.045 0.000 2.032 278 A HA 0.443 4.766 4.320 0.004 0.000 0.221 278 A C 1.539 178.909 177.584 -0.357 0.000 1.165 278 A CA 2.079 54.098 52.037 -0.030 0.000 0.645 278 A CB -0.045 19.077 19.000 0.204 0.000 0.807 278 A HN 1.348 nan 8.150 nan 0.000 0.453 279 G N -2.773 105.572 108.800 -0.759 0.000 2.921 279 G HA2 0.528 4.490 3.960 0.004 0.000 0.291 279 G HA3 0.528 4.490 3.960 0.004 0.000 0.291 279 G C -3.380 171.168 174.900 -0.588 0.000 1.370 279 G CA -1.355 42.994 45.100 -1.253 0.000 0.847 279 G HN -0.055 nan 8.290 nan 0.000 0.532 280 P HA 0.260 nan 4.420 nan 0.000 0.265 280 P C 0.461 177.677 177.300 -0.139 0.000 1.193 280 P CA 0.345 63.322 63.100 -0.205 0.000 0.765 280 P CB 1.258 32.883 31.700 -0.125 0.000 0.823 281 A N 3.276 126.042 122.820 -0.089 0.000 2.235 281 A HA -0.084 4.238 4.320 0.004 0.000 0.208 281 A C 1.353 178.940 177.584 0.004 0.000 1.172 281 A CA 0.877 52.892 52.037 -0.036 0.000 0.786 281 A CB -0.774 18.207 19.000 -0.031 0.000 0.804 281 A HN 0.620 nan 8.150 nan 0.000 0.479 282 D N -0.628 119.771 120.400 -0.002 0.000 2.340 282 D HA 0.045 4.687 4.640 0.004 0.000 0.217 282 D C 0.939 177.262 176.300 0.039 0.000 1.081 282 D CA 0.009 54.022 54.000 0.022 0.000 0.842 282 D CB -0.125 40.681 40.800 0.011 0.000 0.934 282 D HN 0.453 nan 8.370 nan 0.000 0.511 283 L N 0.721 121.970 121.223 0.044 0.000 2.628 283 L HA 0.219 4.561 4.340 0.004 0.000 0.229 283 L C 0.115 177.046 176.870 0.102 0.000 1.137 283 L CA -0.139 54.747 54.840 0.076 0.000 0.909 283 L CB 0.902 43.023 42.059 0.104 0.000 1.137 283 L HN -0.144 nan 8.230 nan 0.000 0.470 284 V N 0.271 120.248 119.914 0.105 0.000 2.394 284 V HA 0.436 4.558 4.120 0.004 0.000 0.282 284 V C 1.042 177.220 176.094 0.140 0.000 1.031 284 V CA -0.599 61.792 62.300 0.153 0.000 0.881 284 V CB 1.101 33.033 31.823 0.183 0.000 0.982 284 V HN 0.258 nan 8.190 nan 0.000 0.451 285 G N 6.110 114.984 108.800 0.124 0.000 2.479 285 G HA2 0.310 4.273 3.960 0.004 0.000 0.275 285 G HA3 0.310 4.273 3.960 0.004 0.000 0.275 285 G C -2.243 172.669 174.900 0.019 0.000 1.421 285 G CA -0.676 44.460 45.100 0.060 0.000 1.059 285 G HN 0.616 nan 8.290 nan 0.000 0.535 286 P HA 0.148 nan 4.420 nan 0.000 0.275 286 P C 0.174 177.228 177.300 -0.410 0.000 1.228 286 P CA -0.303 62.706 63.100 -0.151 0.000 0.786 286 P CB 0.954 32.590 31.700 -0.106 0.000 0.927 287 E N 3.616 123.491 120.200 -0.541 0.000 2.468 287 E HA -0.060 4.293 4.350 0.004 0.000 0.263 287 E C -1.907 174.216 176.600 -0.795 0.000 1.192 287 E CA -0.988 54.790 56.400 -1.037 0.000 1.016 287 E CB -1.165 28.165 29.700 -0.618 0.000 0.980 287 E HN 0.228 nan 8.360 nan 0.000 0.467 288 P HA -0.194 nan 4.420 nan 0.000 0.215 288 P C 0.970 178.086 177.300 -0.306 0.000 1.163 288 P CA 1.569 64.353 63.100 -0.527 0.000 0.894 288 P CB 0.109 31.525 31.700 -0.474 0.000 0.791 289 E N -1.262 118.793 120.200 -0.241 0.000 2.472 289 E HA -0.038 4.314 4.350 0.004 0.000 0.200 289 E C 1.458 177.997 176.600 -0.101 0.000 1.046 289 E CA 0.887 57.211 56.400 -0.127 0.000 0.871 289 E CB -0.431 29.235 29.700 -0.057 0.000 0.806 289 E HN 0.240 nan 8.360 nan 0.000 0.533 290 A N -0.007 122.731 122.820 -0.138 0.000 2.469 290 A HA 0.515 4.837 4.320 0.004 0.000 0.245 290 A C 1.025 178.545 177.584 -0.108 0.000 1.221 290 A CA 0.256 52.238 52.037 -0.093 0.000 0.946 290 A CB 0.398 19.360 19.000 -0.064 0.000 1.049 290 A HN 0.131 nan 8.150 nan 0.000 0.529 291 A N 0.828 123.558 122.820 -0.149 0.000 2.272 291 A HA 0.647 4.970 4.320 0.004 0.000 0.275 291 A C -2.342 175.184 177.584 -0.096 0.000 1.096 291 A CA -1.167 50.791 52.037 -0.132 0.000 0.822 291 A CB -0.454 18.441 19.000 -0.175 0.000 1.088 291 A HN 0.219 nan 8.150 nan 0.000 0.495 292 P HA 0.206 nan 4.420 nan 0.000 0.272 292 P C 0.456 177.713 177.300 -0.071 0.000 1.240 292 P CA -0.442 62.621 63.100 -0.063 0.000 0.791 292 P CB 0.328 31.998 31.700 -0.049 0.000 0.978 293 L N 1.171 122.357 121.223 -0.062 0.000 2.093 293 L HA -0.153 4.190 4.340 0.004 0.000 0.208 293 L C 2.203 179.032 176.870 -0.069 0.000 1.085 293 L CA 1.618 56.418 54.840 -0.066 0.000 0.755 293 L CB -1.309 40.717 42.059 -0.055 0.000 0.904 293 L HN 0.506 nan 8.230 nan 0.000 0.435 294 E N -0.168 119.996 120.200 -0.059 0.000 2.267 294 E HA -0.273 4.079 4.350 0.004 0.000 0.197 294 E C 1.484 178.042 176.600 -0.071 0.000 0.998 294 E CA 1.066 57.432 56.400 -0.057 0.000 0.830 294 E CB -0.509 29.166 29.700 -0.042 0.000 0.751 294 E HN 0.627 nan 8.360 nan 0.000 0.491 295 Q N 0.085 119.838 119.800 -0.078 0.000 2.482 295 Q HA 0.122 4.464 4.340 0.004 0.000 0.209 295 Q C 0.117 176.041 176.000 -0.126 0.000 0.961 295 Q CA -0.136 55.611 55.803 -0.092 0.000 0.945 295 Q CB -0.068 28.618 28.738 -0.087 0.000 1.012 295 Q HN 0.171 nan 8.270 nan 0.000 0.515 296 M N -0.336 119.189 119.600 -0.127 0.000 2.210 296 M HA -0.280 4.202 4.480 0.004 0.000 0.198 296 M C 0.804 177.001 176.300 -0.172 0.000 0.319 296 M CA 1.418 56.628 55.300 -0.150 0.000 0.399 296 M CB -2.491 30.004 32.600 -0.175 0.000 1.227 296 M HN 0.620 nan 8.290 nan 0.000 0.931 297 G N -1.048 107.657 108.800 -0.159 0.000 2.199 297 G HA2 -0.265 3.697 3.960 0.004 0.000 0.254 297 G HA3 -0.265 3.697 3.960 0.004 0.000 0.254 297 G C 0.152 174.937 174.900 -0.191 0.000 0.982 297 G CA 0.345 45.339 45.100 -0.176 0.000 0.632 297 G HN 0.507 nan 8.290 nan 0.000 0.529 298 L N 0.367 121.484 121.223 -0.177 0.000 2.421 298 L HA 0.718 5.060 4.340 0.004 0.000 0.263 298 L C 1.125 177.878 176.870 -0.196 0.000 1.122 298 L CA -0.081 54.665 54.840 -0.156 0.000 0.804 298 L CB 1.325 43.317 42.059 -0.112 0.000 1.150 298 L HN 0.277 nan 8.230 nan 0.000 0.457 299 G N -1.475 107.188 108.800 -0.228 0.000 3.022 299 G HA2 0.428 4.391 3.960 0.004 0.000 0.284 299 G HA3 0.428 4.391 3.960 0.004 0.000 0.284 299 G C -1.227 173.607 174.900 -0.110 0.000 1.375 299 G CA -0.487 44.356 45.100 -0.427 0.000 0.902 299 G HN 0.744 nan 8.290 nan 0.000 0.538 300 W N -0.140 121.142 121.300 -0.030 0.000 5.963 300 W HA -0.166 4.497 4.660 0.004 0.000 0.400 300 W C 0.607 177.154 176.519 0.047 0.000 1.530 300 W CA 0.685 58.032 57.345 0.003 0.000 1.004 300 W CB -1.137 28.322 29.460 -0.002 0.000 2.706 300 W HN 0.548 nan 8.180 nan 0.000 1.495 301 K N 1.594 122.096 120.400 0.169 0.000 2.412 301 K HA 0.236 4.559 4.320 0.004 0.000 0.284 301 K C 0.567 177.268 176.600 0.169 0.000 1.046 301 K CA 0.277 56.659 56.287 0.158 0.000 0.999 301 K CB 0.720 33.270 32.500 0.083 0.000 0.941 301 K HN -0.013 nan 8.250 nan 0.000 0.474 302 S N 2.147 117.964 115.700 0.195 0.000 2.508 302 S HA 0.136 4.608 4.470 0.004 0.000 0.284 302 S C 0.623 175.308 174.600 0.141 0.000 1.192 302 S CA -0.677 57.630 58.200 0.179 0.000 1.070 302 S CB 1.087 64.415 63.200 0.214 0.000 1.004 302 S HN 0.683 nan 8.310 nan 0.000 0.493 303 S N 3.818 119.598 115.700 0.133 0.000 2.557 303 S HA 0.150 4.622 4.470 0.004 0.000 0.223 303 S C -0.081 174.589 174.600 0.117 0.000 0.969 303 S CA -0.340 57.919 58.200 0.099 0.000 0.927 303 S CB -0.312 62.936 63.200 0.079 0.000 0.806 303 S HN 0.739 nan 8.310 nan 0.000 0.489 304 Y N 3.663 123.977 120.300 0.023 0.000 2.539 304 Y HA 0.478 5.030 4.550 0.004 0.000 0.352 304 Y C 1.162 177.056 175.900 -0.010 0.000 1.004 304 Y CA 0.278 58.381 58.100 0.006 0.000 1.278 304 Y CB -0.327 38.137 38.460 0.007 0.000 1.136 304 Y HN 0.475 nan 8.280 nan 0.000 0.528 305 G N 3.980 112.510 108.800 -0.450 0.000 2.611 305 G HA2 -0.464 3.498 3.960 0.004 0.000 0.301 305 G HA3 -0.464 3.498 3.960 0.004 0.000 0.301 305 G C 1.127 175.906 174.900 -0.201 0.000 1.233 305 G CA 1.029 45.884 45.100 -0.409 0.000 0.993 305 G HN 1.199 nan 8.290 nan 0.000 0.553 306 T N -1.127 113.312 114.554 -0.191 0.000 2.962 306 T HA 0.331 4.683 4.350 0.004 0.000 0.270 306 T C 2.766 177.434 174.700 -0.054 0.000 1.088 306 T CA 2.168 64.198 62.100 -0.117 0.000 1.127 306 T CB -0.288 68.487 68.868 -0.154 0.000 0.883 306 T HN 2.816 nan 8.240 nan 0.000 0.493 307 G N 0.863 109.642 108.800 -0.036 0.000 2.199 307 G HA2 -0.237 3.725 3.960 0.004 0.000 0.254 307 G HA3 -0.237 3.725 3.960 0.004 0.000 0.254 307 G C 0.424 175.357 174.900 0.056 0.000 0.982 307 G CA 0.963 46.103 45.100 0.067 0.000 0.632 307 G HN 1.339 nan 8.290 nan 0.000 0.529 308 T N -4.209 110.287 114.554 -0.097 0.000 2.618 308 T HA 0.808 5.161 4.350 0.004 0.000 0.286 308 T C 1.814 176.216 174.700 -0.498 0.000 1.027 308 T CA 0.925 62.827 62.100 -0.331 0.000 1.063 308 T CB 1.278 69.988 68.868 -0.264 0.000 1.440 308 T HN 2.010 nan 8.240 nan 0.000 0.505 309 G N 2.103 110.443 108.800 -0.767 0.000 2.693 309 G HA2 -0.484 3.478 3.960 0.004 0.000 0.354 309 G HA3 -0.484 3.478 3.960 0.004 0.000 0.354 309 G C 1.056 175.518 174.900 -0.729 0.000 1.207 309 G CA 2.072 46.604 45.100 -0.948 0.000 0.958 309 G HN 1.427 nan 8.290 nan 0.000 0.560 310 K N -0.011 119.834 120.400 -0.926 0.000 2.211 310 K HA -0.034 4.288 4.320 0.004 0.000 0.204 310 K C 1.087 177.605 176.600 -0.137 0.000 1.047 310 K CA 2.079 58.144 56.287 -0.370 0.000 0.935 310 K CB -0.042 32.266 32.500 -0.320 0.000 0.728 310 K HN 0.427 nan 8.250 nan 0.000 0.452 311 D N 1.064 121.367 120.400 -0.161 0.000 2.424 311 D HA 0.158 4.801 4.640 0.004 0.000 0.220 311 D C -0.178 176.185 176.300 0.107 0.000 1.150 311 D CA -0.028 53.998 54.000 0.043 0.000 0.831 311 D CB 0.590 41.340 40.800 -0.084 0.000 0.981 311 D HN 0.344 nan 8.370 nan 0.000 0.500 312 A N 1.040 123.841 122.820 -0.031 0.000 2.511 312 A HA 0.295 4.617 4.320 0.004 0.000 0.242 312 A C 0.274 177.929 177.584 0.119 0.000 1.069 312 A CA 0.313 52.329 52.037 -0.036 0.000 0.763 312 A CB 0.148 18.989 19.000 -0.265 0.000 1.001 312 A HN 0.208 nan 8.150 nan 0.000 0.498 313 I N 2.658 123.312 120.570 0.140 0.000 2.447 313 I HA 0.314 4.487 4.170 0.004 0.000 0.287 313 I C 0.481 176.662 176.117 0.106 0.000 1.023 313 I CA -0.294 61.070 61.300 0.107 0.000 1.083 313 I CB 2.238 40.267 38.000 0.047 0.000 1.245 313 I HN 0.791 nan 8.210 nan 0.000 0.434 314 T N 1.480 116.089 114.554 0.091 0.000 3.447 314 T HA -0.020 4.332 4.350 0.004 0.000 0.218 314 T C 1.572 176.248 174.700 -0.040 0.000 0.972 314 T CA 0.823 62.923 62.100 0.000 0.000 1.264 314 T CB 0.067 68.983 68.868 0.079 0.000 1.284 314 T HN 0.653 nan 8.240 nan 0.000 0.361 315 S N 0.389 116.111 115.700 0.036 0.000 2.439 315 S HA 0.391 4.863 4.470 0.004 0.000 0.224 315 S C 1.877 176.483 174.600 0.010 0.000 1.029 315 S CA 1.079 59.296 58.200 0.029 0.000 0.946 315 S CB 0.034 63.286 63.200 0.086 0.000 0.797 315 S HN 1.012 nan 8.310 nan 0.000 0.504 316 G N 0.813 109.615 108.800 0.003 0.000 2.201 316 G HA2 -0.155 3.808 3.960 0.004 0.000 0.212 316 G HA3 -0.155 3.808 3.960 0.004 0.000 0.212 316 G C -0.031 174.843 174.900 -0.043 0.000 0.994 316 G CA -0.023 45.057 45.100 -0.033 0.000 0.644 316 G HN 0.536 nan 8.290 nan 0.000 0.508 317 I N 0.586 121.143 120.570 -0.022 0.000 2.498 317 I HA 0.580 4.752 4.170 0.004 0.000 0.301 317 I C 0.078 176.140 176.117 -0.092 0.000 0.984 317 I CA -0.763 60.511 61.300 -0.044 0.000 1.204 317 I CB 1.816 39.811 38.000 -0.008 0.000 1.362 317 I HN 0.024 nan 8.210 nan 0.000 0.471 318 E N 5.101 125.227 120.200 -0.124 0.000 2.795 318 E HA 0.425 4.777 4.350 0.004 0.000 0.226 318 E C -1.637 174.832 176.600 -0.219 0.000 1.088 318 E CA -0.230 56.071 56.400 -0.165 0.000 0.812 318 E CB 0.816 30.446 29.700 -0.116 0.000 1.328 318 E HN 0.294 nan 8.360 nan 0.000 0.410 319 V N 2.729 122.431 119.914 -0.353 0.000 2.735 319 V HA 0.576 4.698 4.120 0.004 0.000 0.310 319 V C -0.674 174.995 176.094 -0.707 0.000 1.061 319 V CA -0.941 61.057 62.300 -0.504 0.000 0.913 319 V CB 2.314 33.762 31.823 -0.625 0.000 1.005 319 V HN 0.273 nan 8.190 nan 0.000 0.428 320 V N 3.474 123.050 119.914 -0.564 0.000 2.439 320 V HA 0.218 4.340 4.120 0.004 0.000 0.277 320 V C 0.549 176.478 176.094 -0.275 0.000 1.008 320 V CA -0.562 61.490 62.300 -0.414 0.000 0.846 320 V CB 1.252 32.982 31.823 -0.155 0.000 1.031 320 V HN 0.989 nan 8.190 nan 0.000 0.441 321 W N 2.276 123.565 121.300 -0.018 0.000 2.318 321 W HA -0.119 4.543 4.660 0.003 0.000 0.313 321 W C 1.264 177.784 176.519 0.003 0.000 1.221 321 W CA 1.847 59.201 57.345 0.016 0.000 1.266 321 W CB -0.535 29.029 29.460 0.173 0.000 1.150 321 W HN 0.623 nan 8.180 nan 0.000 0.496 322 T N -1.778 112.904 114.554 0.214 0.000 2.926 322 T HA 0.287 4.640 4.350 0.004 0.000 0.289 322 T C 0.353 175.038 174.700 -0.025 0.000 1.054 322 T CA -0.497 61.644 62.100 0.068 0.000 1.015 322 T CB 1.670 70.539 68.868 0.001 0.000 1.167 322 T HN 0.045 nan 8.240 nan 0.000 0.526 323 N N -0.777 117.894 118.700 -0.047 0.000 2.370 323 N HA 0.104 4.846 4.740 0.004 0.000 0.198 323 N C 0.569 176.000 175.510 -0.132 0.000 1.156 323 N CA -0.033 52.972 53.050 -0.075 0.000 0.839 323 N CB 0.111 38.574 38.487 -0.040 0.000 0.989 323 N HN 0.803 nan 8.380 nan 0.000 0.468 324 T N -4.291 110.164 114.554 -0.165 0.000 3.624 324 T HA 0.405 4.757 4.350 0.004 0.000 0.244 324 T C -2.124 172.420 174.700 -0.261 0.000 1.063 324 T CA -1.589 60.387 62.100 -0.207 0.000 1.252 324 T CB 0.899 69.648 68.868 -0.198 0.000 1.021 324 T HN -0.228 nan 8.240 nan 0.000 0.590 325 P HA -0.148 nan 4.420 nan 0.000 0.218 325 P C 1.278 178.467 177.300 -0.185 0.000 1.150 325 P CA 1.642 64.547 63.100 -0.325 0.000 0.841 325 P CB -0.091 31.120 31.700 -0.814 0.000 0.784 326 T N -5.234 109.189 114.554 -0.218 0.000 3.266 326 T HA 0.364 4.717 4.350 0.004 0.000 0.278 326 T C 0.087 174.784 174.700 -0.005 0.000 1.010 326 T CA -0.506 61.536 62.100 -0.097 0.000 0.909 326 T CB -0.270 68.500 68.868 -0.163 0.000 1.122 326 T HN -0.007 nan 8.240 nan 0.000 0.536 327 K N 0.646 121.020 120.400 -0.043 0.000 2.527 327 K HA 0.332 4.654 4.320 0.004 0.000 0.260 327 K C -1.577 174.950 176.600 -0.121 0.000 0.937 327 K CA -0.866 55.431 56.287 0.016 0.000 0.826 327 K CB 2.183 34.669 32.500 -0.025 0.000 1.359 327 K HN 0.300 nan 8.250 nan 0.000 0.434 328 W N 4.855 126.098 121.300 -0.095 0.000 2.335 328 W HA 0.198 4.860 4.660 0.003 0.000 0.306 328 W C -1.198 175.256 176.519 -0.108 0.000 1.216 328 W CA 0.396 57.635 57.345 -0.177 0.000 1.237 328 W CB 0.552 30.111 29.460 0.165 0.000 1.243 328 W HN 0.851 nan 8.180 nan 0.000 0.493 329 D N 1.647 121.478 120.400 -0.948 0.000 2.779 329 D HA 0.048 4.690 4.640 0.004 0.000 0.331 329 D C -0.706 175.146 176.300 -0.746 0.000 1.331 329 D CA -0.732 52.873 54.000 -0.657 0.000 0.866 329 D CB 0.361 40.983 40.800 -0.298 0.000 1.409 329 D HN 0.381 nan 8.370 nan 0.000 0.486 330 N N -0.817 117.639 118.700 -0.407 0.000 2.362 330 N HA 0.048 4.790 4.740 0.004 0.000 0.211 330 N C 0.372 175.774 175.510 -0.179 0.000 1.170 330 N CA -0.116 52.756 53.050 -0.296 0.000 0.828 330 N CB 0.127 38.523 38.487 -0.152 0.000 1.034 330 N HN 0.259 nan 8.380 nan 0.000 0.475 331 S N 0.145 115.726 115.700 -0.199 0.000 2.382 331 S HA -0.132 4.340 4.470 0.004 0.000 0.228 331 S C 1.334 175.930 174.600 -0.007 0.000 1.027 331 S CA 0.698 58.844 58.200 -0.091 0.000 0.991 331 S CB -0.231 62.907 63.200 -0.103 0.000 0.823 331 S HN 0.509 nan 8.310 nan 0.000 0.469 332 F N 2.171 122.017 119.950 -0.173 0.000 2.091 332 F HA -0.166 4.363 4.527 0.003 0.000 0.299 332 F C 1.770 177.571 175.800 0.001 0.000 1.103 332 F CA 1.553 59.495 58.000 -0.096 0.000 1.228 332 F CB -0.273 38.598 39.000 -0.214 0.000 0.984 332 F HN 0.130 nan 8.300 nan 0.000 0.477 333 L N -0.380 120.931 121.223 0.148 0.000 2.131 333 L HA -0.113 4.229 4.340 0.004 0.000 0.206 333 L C 2.293 179.259 176.870 0.159 0.000 1.087 333 L CA 1.138 56.089 54.840 0.184 0.000 0.767 333 L CB -0.727 41.472 42.059 0.233 0.000 0.917 333 L HN 0.154 nan 8.230 nan 0.000 0.441 334 E N 0.513 120.753 120.200 0.067 0.000 2.110 334 E HA -0.212 4.140 4.350 0.004 0.000 0.193 334 E C 2.231 178.878 176.600 0.078 0.000 0.988 334 E CA 1.210 57.637 56.400 0.044 0.000 0.804 334 E CB -0.051 29.644 29.700 -0.008 0.000 0.745 334 E HN 0.503 nan 8.360 nan 0.000 0.458 335 I N 0.596 121.227 120.570 0.101 0.000 2.333 335 I HA -0.193 3.980 4.170 0.004 0.000 0.246 335 I C 2.371 178.694 176.117 0.342 0.000 1.106 335 I CA 0.266 61.713 61.300 0.245 0.000 1.411 335 I CB -0.035 38.095 38.000 0.217 0.000 1.082 335 I HN 0.117 nan 8.210 nan 0.000 0.420 336 L N 0.201 121.475 121.223 0.085 0.000 2.079 336 L HA -0.232 4.110 4.340 0.004 0.000 0.210 336 L C 2.022 178.937 176.870 0.074 0.000 1.081 336 L CA 2.165 56.991 54.840 -0.024 0.000 0.752 336 L CB -0.682 41.145 42.059 -0.387 0.000 0.896 336 L HN 0.191 nan 8.230 nan 0.000 0.433 337 Y N -1.244 119.113 120.300 0.095 0.000 2.509 337 Y HA 0.268 4.820 4.550 0.004 0.000 0.270 337 Y C 2.367 178.264 175.900 -0.005 0.000 1.103 337 Y CA 0.552 58.688 58.100 0.059 0.000 1.278 337 Y CB -0.515 37.947 38.460 0.004 0.000 1.087 337 Y HN 0.167 nan 8.280 nan 0.000 0.542 338 G N -0.942 107.904 108.800 0.076 0.000 2.443 338 G HA2 -0.143 3.819 3.960 0.004 0.000 0.219 338 G HA3 -0.143 3.819 3.960 0.004 0.000 0.219 338 G C -0.026 174.596 174.900 -0.464 0.000 1.131 338 G CA 0.716 45.682 45.100 -0.224 0.000 0.775 338 G HN 0.251 nan 8.290 nan 0.000 0.547 339 Y N -1.048 119.159 120.300 -0.154 0.000 2.686 339 Y HA 0.639 5.191 4.550 0.003 0.000 0.330 339 Y C -0.014 175.597 175.900 -0.483 0.000 1.082 339 Y CA -1.305 56.553 58.100 -0.404 0.000 1.158 339 Y CB 1.250 39.246 38.460 -0.773 0.000 1.333 339 Y HN -0.204 nan 8.280 nan 0.000 0.519 340 E N 0.171 120.154 120.200 -0.361 0.000 2.221 340 E HA 0.268 4.621 4.350 0.004 0.000 0.268 340 E C -1.669 174.614 176.600 -0.529 0.000 0.933 340 E CA -0.683 55.549 56.400 -0.281 0.000 0.809 340 E CB 1.510 31.143 29.700 -0.111 0.000 1.190 340 E HN 0.517 nan 8.360 nan 0.000 0.406 341 W N 0.492 121.802 121.300 0.016 0.000 2.719 341 W HA 0.497 5.159 4.660 0.003 0.000 0.352 341 W C 0.404 177.025 176.519 0.171 0.000 1.085 341 W CA -0.574 56.814 57.345 0.073 0.000 1.187 341 W CB 1.354 30.808 29.460 -0.010 0.000 1.417 341 W HN 0.321 nan 8.180 nan 0.000 0.557 342 E N 0.822 121.313 120.200 0.485 0.000 2.369 342 E HA 0.482 4.835 4.350 0.004 0.000 0.270 342 E C -1.778 174.928 176.600 0.177 0.000 0.909 342 E CA -1.263 55.310 56.400 0.289 0.000 0.775 342 E CB 2.413 32.187 29.700 0.123 0.000 1.270 342 E HN 0.353 nan 8.360 nan 0.000 0.445 343 L N 2.033 123.201 121.223 -0.090 0.000 2.292 343 L HA 0.506 4.848 4.340 0.004 0.000 0.284 343 L C -0.388 176.427 176.870 -0.092 0.000 1.065 343 L CA 0.658 55.246 54.840 -0.420 0.000 0.806 343 L CB 1.390 43.161 42.059 -0.481 0.000 1.175 343 L HN 0.565 nan 8.230 nan 0.000 0.431 344 T N 3.723 118.261 114.554 -0.026 0.000 2.754 344 T HA 0.554 4.906 4.350 0.004 0.000 0.296 344 T C -1.237 173.521 174.700 0.098 0.000 1.205 344 T CA -0.781 61.364 62.100 0.074 0.000 1.009 344 T CB 1.152 70.035 68.868 0.025 0.000 1.368 344 T HN 0.602 nan 8.240 nan 0.000 0.509 345 K N 1.146 121.544 120.400 -0.003 0.000 2.295 345 K HA 0.678 5.000 4.320 0.004 0.000 0.239 345 K C -0.155 176.393 176.600 -0.088 0.000 0.991 345 K CA -0.877 55.349 56.287 -0.102 0.000 0.845 345 K CB 1.853 34.211 32.500 -0.236 0.000 1.197 345 K HN 0.757 nan 8.250 nan 0.000 0.441 346 S N -0.152 115.483 115.700 -0.109 0.000 2.730 346 S HA 0.298 4.770 4.470 0.004 0.000 0.284 346 S C -1.987 172.546 174.600 -0.112 0.000 1.153 346 S CA -1.190 56.952 58.200 -0.096 0.000 0.995 346 S CB 1.145 64.289 63.200 -0.094 0.000 1.058 346 S HN 0.255 nan 8.310 nan 0.000 0.552 347 P HA 0.020 nan 4.420 nan 0.000 0.219 347 P C 1.005 178.213 177.300 -0.154 0.000 1.146 347 P CA 1.553 64.582 63.100 -0.118 0.000 0.808 347 P CB -0.167 31.463 31.700 -0.116 0.000 0.779 348 A N -1.358 121.368 122.820 -0.156 0.000 2.218 348 A HA 0.457 4.779 4.320 0.004 0.000 0.209 348 A C 1.605 179.093 177.584 -0.159 0.000 1.168 348 A CA 0.740 52.681 52.037 -0.160 0.000 0.804 348 A CB -0.968 17.948 19.000 -0.139 0.000 0.834 348 A HN 0.231 nan 8.150 nan 0.000 0.482 349 G N -1.953 106.739 108.800 -0.180 0.000 2.132 349 G HA2 0.141 4.103 3.960 0.004 0.000 0.234 349 G HA3 0.141 4.103 3.960 0.004 0.000 0.234 349 G C 0.314 175.013 174.900 -0.335 0.000 0.989 349 G CA 0.285 45.236 45.100 -0.248 0.000 0.676 349 G HN 1.495 nan 8.290 nan 0.000 0.522 350 A N -0.756 121.915 122.820 -0.248 0.000 2.279 350 A HA 0.724 5.046 4.320 0.004 0.000 0.303 350 A C 0.190 177.659 177.584 -0.192 0.000 1.108 350 A CA -0.575 51.326 52.037 -0.226 0.000 0.830 350 A CB 0.659 19.610 19.000 -0.081 0.000 1.106 350 A HN 0.619 nan 8.150 nan 0.000 0.493 351 W N 0.310 121.583 121.300 -0.046 0.000 2.202 351 W HA 0.490 5.152 4.660 0.004 0.000 0.332 351 W C 0.731 177.206 176.519 -0.074 0.000 1.263 351 W CA 0.243 57.538 57.345 -0.083 0.000 1.223 351 W CB 0.683 30.099 29.460 -0.074 0.000 1.128 351 W HN 0.880 nan 8.180 nan 0.000 0.573 352 Q N 0.630 120.525 119.800 0.158 0.000 2.874 352 Q HA 0.404 4.747 4.340 0.004 0.000 0.303 352 Q C -2.098 173.871 176.000 -0.052 0.000 0.876 352 Q CA -1.164 54.692 55.803 0.089 0.000 0.765 352 Q CB 1.553 30.325 28.738 0.055 0.000 1.478 352 Q HN 0.507 nan 8.270 nan 0.000 0.434 353 Y N -0.081 120.256 120.300 0.062 0.000 2.509 353 Y HA 0.751 5.304 4.550 0.004 0.000 0.341 353 Y C -0.397 175.671 175.900 0.281 0.000 1.038 353 Y CA -0.289 57.901 58.100 0.149 0.000 1.089 353 Y CB 2.974 41.488 38.460 0.090 0.000 1.241 353 Y HN 0.691 nan 8.280 nan 0.000 0.468 354 T N 0.913 115.766 114.554 0.499 0.000 2.909 354 T HA 0.662 5.015 4.350 0.004 0.000 0.299 354 T C -0.628 174.124 174.700 0.086 0.000 1.073 354 T CA -0.945 61.344 62.100 0.315 0.000 0.999 354 T CB 1.520 70.442 68.868 0.089 0.000 1.098 354 T HN 0.792 nan 8.240 nan 0.000 0.477 355 A N 2.662 125.251 122.820 -0.384 0.000 2.540 355 A HA 0.322 4.644 4.320 0.004 0.000 0.239 355 A C 0.487 177.892 177.584 -0.298 0.000 1.061 355 A CA 0.132 51.748 52.037 -0.701 0.000 0.758 355 A CB -0.192 18.215 19.000 -0.988 0.000 0.991 355 A HN 0.782 nan 8.150 nan 0.000 0.502 356 K N 1.058 121.323 120.400 -0.225 0.000 2.149 356 K HA 0.190 4.513 4.320 0.004 0.000 0.245 356 K C -0.076 176.473 176.600 -0.085 0.000 1.024 356 K CA -0.005 56.221 56.287 -0.102 0.000 0.899 356 K CB 0.220 32.679 32.500 -0.068 0.000 1.038 356 K HN 0.737 nan 8.250 nan 0.000 0.496 357 D N 0.032 120.401 120.400 -0.052 0.000 2.811 357 D HA -0.191 4.451 4.640 0.004 0.000 0.231 357 D C 0.589 176.863 176.300 -0.043 0.000 1.157 357 D CA 1.338 55.314 54.000 -0.039 0.000 0.716 357 D CB -1.591 39.190 40.800 -0.033 0.000 1.077 357 D HN 1.000 nan 8.370 nan 0.000 0.428 358 G N -0.690 108.076 108.800 -0.057 0.000 2.269 358 G HA2 -0.178 3.784 3.960 0.004 0.000 0.277 358 G HA3 -0.178 3.784 3.960 0.004 0.000 0.277 358 G C 0.646 175.510 174.900 -0.060 0.000 1.008 358 G CA 1.129 46.193 45.100 -0.060 0.000 0.774 358 G HN 1.119 nan 8.290 nan 0.000 0.511 359 A N -0.792 121.990 122.820 -0.063 0.000 2.429 359 A HA 0.670 4.992 4.320 0.004 0.000 0.242 359 A C 2.094 179.653 177.584 -0.042 0.000 1.088 359 A CA 1.119 53.160 52.037 0.006 0.000 0.784 359 A CB -0.170 18.899 19.000 0.116 0.000 1.038 359 A HN 2.254 nan 8.150 nan 0.000 0.501 360 G N -0.632 108.231 108.800 0.105 0.000 2.309 360 G HA2 0.081 4.044 3.960 0.004 0.000 0.286 360 G HA3 0.081 4.044 3.960 0.004 0.000 0.286 360 G C 0.667 175.530 174.900 -0.061 0.000 1.002 360 G CA 0.914 46.039 45.100 0.042 0.000 0.786 360 G HN 2.188 nan 8.290 nan 0.000 0.511 361 A N -0.109 122.679 122.820 -0.054 0.000 2.540 361 A HA 0.628 4.951 4.320 0.004 0.000 0.239 361 A C 1.729 179.292 177.584 -0.035 0.000 1.061 361 A CA 1.121 53.125 52.037 -0.054 0.000 0.758 361 A CB -0.031 18.944 19.000 -0.041 0.000 0.991 361 A HN 2.376 nan 8.150 nan 0.000 0.502 362 G N 2.105 110.884 108.800 -0.036 0.000 2.331 362 G HA2 -0.006 3.956 3.960 0.004 0.000 0.254 362 G HA3 -0.006 3.956 3.960 0.004 0.000 0.254 362 G C 0.358 175.249 174.900 -0.016 0.000 0.879 362 G CA 0.516 45.603 45.100 -0.023 0.000 1.287 362 G HN 1.492 nan 8.290 nan 0.000 0.383 363 T N 0.759 115.301 114.554 -0.019 0.000 3.200 363 T HA 0.203 4.555 4.350 0.004 0.000 0.259 363 T C 0.914 175.607 174.700 -0.012 0.000 0.855 363 T CA 0.232 62.328 62.100 -0.008 0.000 0.865 363 T CB 0.285 69.156 68.868 0.005 0.000 1.270 363 T HN 0.486 nan 8.240 nan 0.000 0.563 364 I N 4.668 125.226 120.570 -0.020 0.000 2.354 364 I HA 0.357 4.530 4.170 0.004 0.000 0.292 364 I C -2.383 173.738 176.117 0.006 0.000 0.989 364 I CA -2.534 58.755 61.300 -0.018 0.000 1.188 364 I CB 1.904 39.886 38.000 -0.030 0.000 1.342 364 I HN -0.044 nan 8.210 nan 0.000 0.457 365 P HA 0.023 nan 4.420 nan 0.000 0.271 365 P C -0.944 176.480 177.300 0.207 0.000 1.218 365 P CA -0.111 63.045 63.100 0.093 0.000 0.780 365 P CB 1.283 33.030 31.700 0.078 0.000 0.901 366 D N 3.373 123.852 120.400 0.132 0.000 2.313 366 D HA 0.088 4.731 4.640 0.004 0.000 0.247 366 D C -1.283 174.894 176.300 -0.204 0.000 1.094 366 D CA -2.105 51.910 54.000 0.025 0.000 0.925 366 D CB 1.446 42.242 40.800 -0.006 0.000 1.188 366 D HN 0.181 nan 8.370 nan 0.000 0.430 367 P HA -0.067 nan 4.420 nan 0.000 0.219 367 P C 0.625 177.119 177.300 -1.343 0.000 1.150 367 P CA 1.177 63.336 63.100 -1.568 0.000 0.814 367 P CB 0.253 31.290 31.700 -1.105 0.000 0.787 368 F N -1.086 118.669 119.950 -0.324 0.000 2.017 368 F HA 0.352 4.882 4.527 0.004 0.000 0.245 368 F C 2.400 178.124 175.800 -0.126 0.000 1.060 368 F CA 0.359 58.236 58.000 -0.205 0.000 1.231 368 F CB -1.195 37.693 39.000 -0.187 0.000 1.527 368 F HN -0.149 nan 8.300 nan 0.000 0.636 369 G N -0.449 108.424 108.800 0.120 0.000 2.611 369 G HA2 0.327 4.289 3.960 0.004 0.000 0.147 369 G HA3 0.327 4.289 3.960 0.004 0.000 0.147 369 G C 0.862 175.771 174.900 0.014 0.000 1.798 369 G CA 0.717 45.843 45.100 0.044 0.000 0.973 369 G HN 0.881 nan 8.290 nan 0.000 0.416 370 G N -1.963 106.842 108.800 0.009 0.000 4.495 370 G HA2 0.200 4.162 3.960 0.004 0.000 0.223 370 G HA3 0.200 4.162 3.960 0.004 0.000 0.223 370 G C -1.192 173.712 174.900 0.006 0.000 0.843 370 G CA 0.401 45.506 45.100 0.008 0.000 1.235 370 G HN 0.395 nan 8.290 nan 0.000 0.745 371 P HA 0.216 nan 4.420 nan 0.000 0.226 371 P C 1.303 178.601 177.300 -0.003 0.000 1.146 371 P CA 1.982 65.080 63.100 -0.003 0.000 0.773 371 P CB 0.068 31.764 31.700 -0.006 0.000 0.772 372 G N 0.040 108.840 108.800 0.001 0.000 2.764 372 G HA2 -0.168 3.795 3.960 0.004 0.000 0.686 372 G HA3 -0.168 3.795 3.960 0.004 0.000 0.686 372 G C -0.598 174.295 174.900 -0.012 0.000 1.258 372 G CA -0.720 44.379 45.100 -0.001 0.000 0.846 372 G HN 0.368 nan 8.290 nan 0.000 0.596 373 R N 0.300 120.789 120.500 -0.019 0.000 2.947 373 R HA 0.862 5.204 4.340 0.004 0.000 0.253 373 R C 0.203 176.472 176.300 -0.053 0.000 1.208 373 R CA -0.478 55.601 56.100 -0.035 0.000 1.012 373 R CB 1.349 31.626 30.300 -0.038 0.000 1.267 373 R HN 1.112 nan 8.270 nan 0.000 0.473 374 S N 0.489 116.145 115.700 -0.072 0.000 2.638 374 S HA 0.549 5.022 4.470 0.004 0.000 0.298 374 S C -2.401 172.121 174.600 -0.129 0.000 1.111 374 S CA -1.527 56.602 58.200 -0.118 0.000 1.027 374 S CB 1.483 64.601 63.200 -0.135 0.000 1.064 374 S HN 0.395 nan 8.310 nan 0.000 0.525 375 P HA 0.162 nan 4.420 nan 0.000 0.266 375 P C -0.323 177.040 177.300 0.105 0.000 1.193 375 P CA 0.234 63.261 63.100 -0.123 0.000 0.770 375 P CB 0.195 31.632 31.700 -0.438 0.000 0.836 376 T N -0.655 114.024 114.554 0.210 0.000 2.868 376 T HA 0.764 5.116 4.350 0.004 0.000 0.306 376 T C -0.493 174.166 174.700 -0.069 0.000 1.224 376 T CA -0.872 61.336 62.100 0.181 0.000 1.012 376 T CB 1.484 70.334 68.868 -0.031 0.000 1.221 376 T HN 0.288 nan 8.240 nan 0.000 0.499 377 M N 1.475 120.957 119.600 -0.196 0.000 2.569 377 M HA 0.496 4.978 4.480 0.004 0.000 0.279 377 M C -1.397 174.890 176.300 -0.022 0.000 1.253 377 M CA -0.701 54.440 55.300 -0.266 0.000 0.867 377 M CB 2.292 34.345 32.600 -0.911 0.000 1.727 377 M HN 0.681 nan 8.290 nan 0.000 0.467 378 L N 0.573 121.874 121.223 0.130 0.000 2.399 378 L HA 0.537 4.879 4.340 0.004 0.000 0.265 378 L C 1.466 178.426 176.870 0.150 0.000 1.089 378 L CA -0.364 54.597 54.840 0.202 0.000 0.802 378 L CB 1.162 43.399 42.059 0.296 0.000 1.180 378 L HN 0.982 nan 8.230 nan 0.000 0.454 379 A N 0.737 123.702 122.820 0.242 0.000 1.948 379 A HA -0.220 4.103 4.320 0.004 0.000 0.220 379 A C 2.166 179.776 177.584 0.043 0.000 1.177 379 A CA 2.503 54.653 52.037 0.188 0.000 0.636 379 A CB -1.068 18.078 19.000 0.242 0.000 0.815 379 A HN 0.938 nan 8.150 nan 0.000 0.449 380 T N -2.517 112.100 114.554 0.105 0.000 2.915 380 T HA -0.132 4.221 4.350 0.004 0.000 0.269 380 T C 1.321 176.033 174.700 0.019 0.000 1.071 380 T CA 1.420 63.568 62.100 0.079 0.000 1.132 380 T CB -0.397 68.563 68.868 0.153 0.000 0.878 380 T HN 0.448 nan 8.240 nan 0.000 0.479 381 D N 1.443 121.874 120.400 0.053 0.000 2.149 381 D HA 0.059 4.702 4.640 0.004 0.000 0.201 381 D C 2.086 178.295 176.300 -0.151 0.000 0.972 381 D CA 0.706 54.734 54.000 0.047 0.000 0.835 381 D CB -0.153 40.740 40.800 0.155 0.000 0.966 381 D HN 0.382 nan 8.370 nan 0.000 0.476 382 L N 0.880 121.931 121.223 -0.287 0.000 2.362 382 L HA -0.078 4.264 4.340 0.004 0.000 0.219 382 L C 2.319 179.050 176.870 -0.231 0.000 1.134 382 L CA 0.350 54.953 54.840 -0.396 0.000 0.807 382 L CB -0.156 41.538 42.059 -0.608 0.000 0.927 382 L HN -0.090 nan 8.230 nan 0.000 0.447 383 S N 0.177 115.795 115.700 -0.136 0.000 2.399 383 S HA -0.095 4.377 4.470 0.004 0.000 0.231 383 S C 1.853 176.457 174.600 0.007 0.000 1.022 383 S CA 0.942 59.120 58.200 -0.036 0.000 0.983 383 S CB -0.154 63.051 63.200 0.009 0.000 0.803 383 S HN 0.370 nan 8.310 nan 0.000 0.480 384 L N 0.644 121.804 121.223 -0.105 0.000 2.456 384 L HA 0.033 4.375 4.340 0.004 0.000 0.224 384 L C 2.458 179.328 176.870 -0.001 0.000 1.148 384 L CA 0.848 55.632 54.840 -0.093 0.000 0.825 384 L CB -0.204 41.787 42.059 -0.114 0.000 0.937 384 L HN 0.250 nan 8.230 nan 0.000 0.450 385 R N -1.434 119.011 120.500 -0.091 0.000 2.342 385 R HA 0.053 4.395 4.340 0.004 0.000 0.204 385 R C 1.808 178.068 176.300 -0.068 0.000 0.882 385 R CA 0.244 56.259 56.100 -0.142 0.000 1.041 385 R CB 0.436 30.452 30.300 -0.474 0.000 1.188 385 R HN 0.056 nan 8.270 nan 0.000 0.598 386 V N 1.534 121.406 119.914 -0.070 0.000 2.535 386 V HA -0.065 4.057 4.120 0.004 0.000 0.246 386 V C 0.888 176.979 176.094 -0.005 0.000 1.045 386 V CA 1.199 63.472 62.300 -0.044 0.000 1.058 386 V CB -0.197 31.585 31.823 -0.069 0.000 0.689 386 V HN 0.323 nan 8.190 nan 0.000 0.461 387 D N 0.202 120.623 120.400 0.034 0.000 2.390 387 D HA 0.032 4.674 4.640 0.004 0.000 0.249 387 D C -1.686 174.607 176.300 -0.011 0.000 1.144 387 D CA -1.440 52.571 54.000 0.018 0.000 0.880 387 D CB 2.061 42.904 40.800 0.072 0.000 1.182 387 D HN 0.051 nan 8.370 nan 0.000 0.451 388 P HA -0.170 nan 4.420 nan 0.000 0.215 388 P C 1.570 178.826 177.300 -0.074 0.000 1.163 388 P CA 1.255 64.325 63.100 -0.051 0.000 0.894 388 P CB 0.213 31.877 31.700 -0.060 0.000 0.791 389 I N -2.793 117.686 120.570 -0.152 0.000 2.202 389 I HA -0.262 3.910 4.170 0.004 0.000 0.242 389 I C 2.376 178.416 176.117 -0.128 0.000 1.091 389 I CA 1.579 62.768 61.300 -0.186 0.000 1.368 389 I CB -0.795 37.022 38.000 -0.306 0.000 1.058 389 I HN -0.020 nan 8.210 nan 0.000 0.410 390 Y N 0.725 120.973 120.300 -0.086 0.000 2.181 390 Y HA -0.256 4.296 4.550 0.004 0.000 0.288 390 Y C 2.804 178.647 175.900 -0.095 0.000 1.146 390 Y CA 0.900 58.935 58.100 -0.109 0.000 1.164 390 Y CB -0.178 38.226 38.460 -0.092 0.000 0.982 390 Y HN 0.195 nan 8.280 nan 0.000 0.515 391 E N 1.010 121.280 120.200 0.116 0.000 2.085 391 E HA -0.254 4.098 4.350 0.004 0.000 0.194 391 E C 2.088 178.710 176.600 0.037 0.000 0.994 391 E CA 1.335 57.802 56.400 0.111 0.000 0.801 391 E CB -0.054 29.701 29.700 0.091 0.000 0.743 391 E HN 0.490 nan 8.360 nan 0.000 0.453 392 R N -0.047 120.436 120.500 -0.029 0.000 2.096 392 R HA -0.111 4.231 4.340 0.004 0.000 0.235 392 R C 2.457 178.650 176.300 -0.180 0.000 1.127 392 R CA 1.171 57.222 56.100 -0.082 0.000 0.968 392 R CB -0.164 30.090 30.300 -0.077 0.000 0.861 392 R HN 0.243 nan 8.270 nan 0.000 0.440 393 I N 0.883 121.305 120.570 -0.246 0.000 2.133 393 I HA -0.214 3.958 4.170 0.004 0.000 0.238 393 I C 2.559 178.185 176.117 -0.819 0.000 1.074 393 I CA 1.992 62.954 61.300 -0.564 0.000 1.342 393 I CB -1.707 35.964 38.000 -0.548 0.000 1.053 393 I HN 0.287 nan 8.210 nan 0.000 0.404 394 T N -1.177 113.123 114.554 -0.423 0.000 2.915 394 T HA -0.107 4.245 4.350 0.004 0.000 0.269 394 T C 2.057 176.698 174.700 -0.100 0.000 1.071 394 T CA 0.621 62.642 62.100 -0.132 0.000 1.132 394 T CB -0.157 68.820 68.868 0.182 0.000 0.878 394 T HN 0.118 nan 8.240 nan 0.000 0.479 395 R N 1.076 121.468 120.500 -0.180 0.000 2.066 395 R HA 0.098 4.441 4.340 0.004 0.000 0.232 395 R C 2.706 178.891 176.300 -0.192 0.000 1.131 395 R CA 1.455 57.378 56.100 -0.296 0.000 0.955 395 R CB -0.549 29.631 30.300 -0.199 0.000 0.851 395 R HN 0.347 nan 8.270 nan 0.000 0.432 396 R N 0.158 120.564 120.500 -0.156 0.000 2.103 396 R HA -0.160 4.182 4.340 0.004 0.000 0.242 396 R C 1.813 178.203 176.300 0.150 0.000 1.142 396 R CA 1.619 57.709 56.100 -0.016 0.000 0.960 396 R CB -0.527 29.708 30.300 -0.108 0.000 0.858 396 R HN 0.257 nan 8.270 nan 0.000 0.439 397 W N -0.230 121.087 121.300 0.028 0.000 2.678 397 W HA 0.100 4.763 4.660 0.005 0.000 0.256 397 W C 1.579 178.067 176.519 -0.051 0.000 1.280 397 W CA -0.162 57.200 57.345 0.029 0.000 1.345 397 W CB -0.826 28.660 29.460 0.042 0.000 1.118 397 W HN 0.196 nan 8.180 nan 0.000 0.629 398 L N 1.161 122.420 121.223 0.061 0.000 2.093 398 L HA -0.090 4.252 4.340 0.004 0.000 0.208 398 L C 1.741 178.530 176.870 -0.135 0.000 1.085 398 L CA 2.106 56.897 54.840 -0.081 0.000 0.755 398 L CB -0.653 41.223 42.059 -0.305 0.000 0.904 398 L HN -0.078 nan 8.230 nan 0.000 0.435 399 E N -1.820 118.247 120.200 -0.223 0.000 2.400 399 E HA 0.073 4.425 4.350 0.004 0.000 0.195 399 E C -0.166 175.990 176.600 -0.739 0.000 1.012 399 E CA 0.275 56.388 56.400 -0.478 0.000 0.875 399 E CB 0.177 29.517 29.700 -0.599 0.000 0.859 399 E HN 0.525 nan 8.360 nan 0.000 0.498 400 H N -0.486 118.643 119.070 0.098 0.000 2.429 400 H HA 0.171 4.729 4.556 0.004 0.000 0.231 400 H C -2.206 173.217 175.328 0.159 0.000 1.416 400 H CA -1.902 54.219 56.048 0.122 0.000 1.443 400 H CB 0.899 30.742 29.762 0.136 0.000 1.591 400 H HN 0.014 nan 8.280 nan 0.000 0.507 401 P HA -0.239 nan 4.420 nan 0.000 0.218 401 P C 1.848 179.225 177.300 0.129 0.000 1.146 401 P CA 1.393 64.561 63.100 0.114 0.000 0.820 401 P CB 0.449 32.188 31.700 0.066 0.000 0.778 402 E N 0.872 121.165 120.200 0.155 0.000 2.085 402 E HA -0.249 4.104 4.350 0.004 0.000 0.194 402 E C 1.612 178.281 176.600 0.114 0.000 0.994 402 E CA 1.478 57.964 56.400 0.145 0.000 0.801 402 E CB -1.119 28.660 29.700 0.131 0.000 0.743 402 E HN 0.352 nan 8.360 nan 0.000 0.453 403 E N 0.560 120.841 120.200 0.134 0.000 2.160 403 E HA -0.157 4.195 4.350 0.004 0.000 0.195 403 E C 2.186 178.657 176.600 -0.215 0.000 0.991 403 E CA 1.072 57.542 56.400 0.116 0.000 0.810 403 E CB -0.176 29.747 29.700 0.372 0.000 0.742 403 E HN 0.195 nan 8.360 nan 0.000 0.466 404 L N 0.835 121.730 121.223 -0.548 0.000 2.044 404 L HA -0.044 4.298 4.340 0.004 0.000 0.205 404 L C 2.247 178.988 176.870 -0.215 0.000 1.075 404 L CA 1.945 56.191 54.840 -0.991 0.000 0.747 404 L CB -0.677 40.921 42.059 -0.768 0.000 0.903 404 L HN 0.014 nan 8.230 nan 0.000 0.435 405 A N -0.602 122.308 122.820 0.151 0.000 1.927 405 A HA -0.320 4.003 4.320 0.004 0.000 0.220 405 A C 2.183 179.959 177.584 0.320 0.000 1.185 405 A CA 2.245 54.546 52.037 0.441 0.000 0.639 405 A CB -1.105 18.128 19.000 0.389 0.000 0.820 405 A HN 0.649 nan 8.150 nan 0.000 0.451 406 D N -0.884 119.604 120.400 0.146 0.000 2.075 406 D HA -0.143 4.500 4.640 0.004 0.000 0.196 406 D C 1.884 178.261 176.300 0.129 0.000 0.985 406 D CA 1.336 55.408 54.000 0.121 0.000 0.834 406 D CB -0.191 40.665 40.800 0.093 0.000 0.987 406 D HN 0.342 nan 8.370 nan 0.000 0.452 407 E N 0.221 120.467 120.200 0.078 0.000 2.114 407 E HA -0.207 4.146 4.350 0.004 0.000 0.199 407 E C 2.108 178.809 176.600 0.169 0.000 1.008 407 E CA 0.533 56.999 56.400 0.110 0.000 0.810 407 E CB -0.769 28.996 29.700 0.109 0.000 0.739 407 E HN 0.476 nan 8.360 nan 0.000 0.456 408 F N 0.879 120.807 119.950 -0.037 0.000 2.134 408 F HA -0.215 4.314 4.527 0.003 0.000 0.299 408 F C 2.262 178.180 175.800 0.198 0.000 1.097 408 F CA 1.140 59.135 58.000 -0.007 0.000 1.264 408 F CB 0.040 38.916 39.000 -0.206 0.000 1.001 408 F HN 0.024 nan 8.300 nan 0.000 0.479 409 A N 1.020 123.985 122.820 0.241 0.000 1.851 409 A HA -0.244 4.078 4.320 0.004 0.000 0.216 409 A C 2.180 179.864 177.584 0.167 0.000 1.195 409 A CA 2.079 54.244 52.037 0.213 0.000 0.622 409 A CB -0.770 18.345 19.000 0.192 0.000 0.831 409 A HN 0.439 nan 8.150 nan 0.000 0.444 410 K N -0.268 120.179 120.400 0.078 0.000 2.063 410 K HA -0.116 4.206 4.320 0.004 0.000 0.208 410 K C 2.317 179.003 176.600 0.142 0.000 1.048 410 K CA 1.291 57.587 56.287 0.016 0.000 0.928 410 K CB -0.419 32.081 32.500 0.001 0.000 0.713 410 K HN 0.446 nan 8.250 nan 0.000 0.442 411 A N 1.741 124.651 122.820 0.150 0.000 1.898 411 A HA -0.174 4.148 4.320 0.004 0.000 0.216 411 A C 1.934 179.610 177.584 0.154 0.000 1.181 411 A CA 1.069 53.194 52.037 0.145 0.000 0.620 411 A CB -0.911 18.213 19.000 0.207 0.000 0.819 411 A HN 0.644 nan 8.150 nan 0.000 0.442 412 W N -0.689 120.576 121.300 -0.058 0.000 2.418 412 W HA -0.200 4.463 4.660 0.004 0.000 0.292 412 W C 1.882 178.446 176.519 0.076 0.000 1.213 412 W CA 1.735 59.027 57.345 -0.089 0.000 1.283 412 W CB -0.428 28.757 29.460 -0.458 0.000 1.119 412 W HN 0.496 nan 8.180 nan 0.000 0.542 413 Y N 2.117 122.517 120.300 0.166 0.000 2.145 413 Y HA -0.259 4.294 4.550 0.004 0.000 0.286 413 Y C 2.797 178.834 175.900 0.228 0.000 1.145 413 Y CA 3.133 61.402 58.100 0.283 0.000 1.148 413 Y CB -0.823 37.860 38.460 0.372 0.000 0.981 413 Y HN -0.081 nan 8.280 nan 0.000 0.507 414 K N -0.067 120.380 120.400 0.079 0.000 2.009 414 K HA -0.238 4.085 4.320 0.004 0.000 0.210 414 K C 2.154 178.444 176.600 -0.517 0.000 1.049 414 K CA 1.725 57.758 56.287 -0.424 0.000 0.929 414 K CB -0.652 31.461 32.500 -0.645 0.000 0.714 414 K HN 0.375 nan 8.250 nan 0.000 0.440 415 L N 1.588 122.602 121.223 -0.349 0.000 1.997 415 L HA -0.192 4.151 4.340 0.004 0.000 0.216 415 L C 1.908 178.502 176.870 -0.461 0.000 1.074 415 L CA 1.887 56.535 54.840 -0.320 0.000 0.763 415 L CB -0.321 41.627 42.059 -0.183 0.000 0.890 415 L HN 0.310 nan 8.230 nan 0.000 0.434 416 I N -1.557 118.626 120.570 -0.644 0.000 3.428 416 I HA -0.134 4.038 4.170 0.004 0.000 0.286 416 I C 1.053 176.657 176.117 -0.856 0.000 1.287 416 I CA 0.609 61.454 61.300 -0.758 0.000 1.396 416 I CB -0.354 37.095 38.000 -0.918 0.000 1.062 416 I HN 0.427 nan 8.210 nan 0.000 0.471 417 H N -1.693 117.097 119.070 -0.466 0.000 3.058 417 H HA 0.157 4.715 4.556 0.004 0.000 0.266 417 H C 1.829 177.020 175.328 -0.228 0.000 1.135 417 H CA -0.271 55.546 56.048 -0.386 0.000 1.174 417 H CB 0.392 29.951 29.762 -0.338 0.000 1.581 417 H HN -0.099 nan 8.280 nan 0.000 0.553 418 R N 1.851 122.145 120.500 -0.343 0.000 2.136 418 R HA -0.165 4.178 4.340 0.004 0.000 0.242 418 R C 1.075 177.187 176.300 -0.312 0.000 1.131 418 R CA 2.231 58.056 56.100 -0.460 0.000 0.937 418 R CB -0.449 29.336 30.300 -0.858 0.000 0.863 418 R HN 0.497 nan 8.270 nan 0.000 0.435 419 D N -0.901 119.259 120.400 -0.400 0.000 2.324 419 D HA -0.084 4.558 4.640 0.004 0.000 0.235 419 D C 1.254 177.469 176.300 -0.143 0.000 1.095 419 D CA 0.261 54.129 54.000 -0.220 0.000 0.871 419 D CB -0.068 40.636 40.800 -0.159 0.000 0.906 419 D HN 0.307 nan 8.370 nan 0.000 0.522 420 M N 0.313 119.826 119.600 -0.144 0.000 2.419 420 M HA 0.131 4.614 4.480 0.004 0.000 0.264 420 M C 1.313 177.528 176.300 -0.143 0.000 1.082 420 M CA 1.094 56.273 55.300 -0.201 0.000 1.119 420 M CB -0.501 31.851 32.600 -0.413 0.000 1.398 420 M HN 0.339 nan 8.290 nan 0.000 0.453 421 G N 0.532 109.318 108.800 -0.023 0.000 2.568 421 G HA2 -0.164 3.798 3.960 0.004 0.000 0.222 421 G HA3 -0.164 3.798 3.960 0.004 0.000 0.222 421 G C -2.788 172.146 174.900 0.057 0.000 1.321 421 G CA -1.163 43.920 45.100 -0.028 0.000 0.893 421 G HN 0.162 nan 8.290 nan 0.000 0.569 422 P HA 0.245 nan 4.420 nan 0.000 0.266 422 P C 1.487 178.831 177.300 0.074 0.000 1.193 422 P CA 0.669 63.810 63.100 0.068 0.000 0.770 422 P CB 0.673 32.463 31.700 0.149 0.000 0.836 423 V N 0.757 120.640 119.914 -0.052 0.000 2.720 423 V HA -0.222 3.901 4.120 0.004 0.000 0.256 423 V C 1.848 177.934 176.094 -0.014 0.000 1.082 423 V CA 1.806 63.955 62.300 -0.252 0.000 1.101 423 V CB -1.984 29.573 31.823 -0.444 0.000 0.693 423 V HN 0.547 nan 8.190 nan 0.000 0.479 424 A N 0.493 123.335 122.820 0.038 0.000 2.225 424 A HA -0.082 4.240 4.320 0.004 0.000 0.215 424 A C 2.347 179.997 177.584 0.109 0.000 1.164 424 A CA 1.571 53.652 52.037 0.073 0.000 0.710 424 A CB -0.554 18.510 19.000 0.107 0.000 0.780 424 A HN 0.654 nan 8.150 nan 0.000 0.473 425 R N -1.994 118.587 120.500 0.134 0.000 2.280 425 R HA 0.086 4.429 4.340 0.004 0.000 0.195 425 R C -0.581 175.790 176.300 0.119 0.000 0.935 425 R CA -0.107 56.033 56.100 0.067 0.000 1.033 425 R CB 0.053 30.274 30.300 -0.131 0.000 0.964 425 R HN 0.513 nan 8.270 nan 0.000 0.489 426 Y N 1.889 122.150 120.300 -0.065 0.000 2.587 426 Y HA 0.155 4.707 4.550 0.004 0.000 0.344 426 Y C 0.493 176.386 175.900 -0.012 0.000 1.061 426 Y CA -0.165 57.901 58.100 -0.057 0.000 1.370 426 Y CB 0.072 38.480 38.460 -0.085 0.000 1.163 426 Y HN -0.132 nan 8.280 nan 0.000 0.527 427 L N 2.638 123.945 121.223 0.139 0.000 2.334 427 L HA 0.925 5.268 4.340 0.004 0.000 0.270 427 L C 0.611 177.585 176.870 0.172 0.000 1.018 427 L CA -0.965 53.937 54.840 0.103 0.000 0.811 427 L CB 1.752 43.824 42.059 0.022 0.000 1.271 427 L HN 0.787 nan 8.230 nan 0.000 0.443 428 G N 1.261 110.108 108.800 0.078 0.000 2.555 428 G HA2 -0.083 3.879 3.960 0.004 0.000 0.686 428 G HA3 -0.083 3.879 3.960 0.004 0.000 0.686 428 G C -2.459 172.497 174.900 0.092 0.000 1.275 428 G CA -0.415 44.732 45.100 0.078 0.000 0.871 428 G HN 0.529 nan 8.290 nan 0.000 0.603 429 P HA 0.172 nan 4.420 nan 0.000 0.249 429 P C 1.222 178.581 177.300 0.098 0.000 1.229 429 P CA 0.504 63.640 63.100 0.061 0.000 0.788 429 P CB 0.103 31.821 31.700 0.029 0.000 1.072 430 L N -0.610 120.727 121.223 0.189 0.000 2.769 430 L HA 0.208 4.550 4.340 0.004 0.000 0.240 430 L C 0.438 177.412 176.870 0.174 0.000 1.163 430 L CA -0.332 54.631 54.840 0.204 0.000 0.962 430 L CB 0.562 42.835 42.059 0.357 0.000 1.258 430 L HN -0.290 nan 8.230 nan 0.000 0.513 431 V N 1.591 121.587 119.914 0.137 0.000 2.488 431 V HA 0.202 4.324 4.120 0.004 0.000 0.277 431 V C -1.803 174.268 176.094 -0.039 0.000 1.046 431 V CA -1.169 61.192 62.300 0.103 0.000 0.986 431 V CB 0.694 32.583 31.823 0.110 0.000 0.989 431 V HN 0.091 nan 8.190 nan 0.000 0.475 432 P HA 0.326 nan 4.420 nan 0.000 0.277 432 P C 0.402 177.608 177.300 -0.157 0.000 1.240 432 P CA -0.557 62.371 63.100 -0.286 0.000 0.798 432 P CB 0.901 32.202 31.700 -0.666 0.000 0.979 433 K N 0.049 120.366 120.400 -0.139 0.000 2.243 433 K HA -0.023 4.299 4.320 0.004 0.000 0.201 433 K C 0.381 176.936 176.600 -0.074 0.000 1.051 433 K CA 0.525 56.756 56.287 -0.094 0.000 0.970 433 K CB -0.027 32.426 32.500 -0.078 0.000 0.755 433 K HN 0.528 nan 8.250 nan 0.000 0.465 434 Q N 1.041 120.817 119.800 -0.040 0.000 2.386 434 Q HA 0.003 4.345 4.340 0.004 0.000 0.282 434 Q C -0.374 175.601 176.000 -0.043 0.000 1.050 434 Q CA 0.705 56.511 55.803 0.005 0.000 0.918 434 Q CB 0.502 29.315 28.738 0.124 0.000 1.266 434 Q HN -0.050 nan 8.270 nan 0.000 0.423 435 T N 2.468 116.985 114.554 -0.062 0.000 2.882 435 T HA 0.578 4.930 4.350 0.004 0.000 0.287 435 T C -0.358 174.258 174.700 -0.139 0.000 0.992 435 T CA -0.568 61.464 62.100 -0.113 0.000 1.076 435 T CB 0.340 69.158 68.868 -0.083 0.000 0.961 435 T HN 0.291 nan 8.240 nan 0.000 0.490 436 L N 3.425 124.496 121.223 -0.253 0.000 2.385 436 L HA 0.396 4.739 4.340 0.004 0.000 0.273 436 L C 0.968 177.656 176.870 -0.302 0.000 0.990 436 L CA -0.830 53.808 54.840 -0.337 0.000 0.821 436 L CB 1.849 43.491 42.059 -0.694 0.000 1.279 436 L HN 0.473 nan 8.230 nan 0.000 0.412 437 L N 4.113 125.272 121.223 -0.107 0.000 2.079 437 L HA -0.147 4.196 4.340 0.004 0.000 0.210 437 L C 2.075 179.000 176.870 0.092 0.000 1.081 437 L CA 1.861 56.711 54.840 0.016 0.000 0.752 437 L CB -0.468 41.648 42.059 0.094 0.000 0.896 437 L HN 0.799 nan 8.230 nan 0.000 0.433 438 W N -0.968 120.373 121.300 0.069 0.000 2.611 438 W HA -0.090 4.572 4.660 0.003 0.000 0.251 438 W C 1.120 177.670 176.519 0.052 0.000 1.265 438 W CA 0.162 57.546 57.345 0.065 0.000 1.295 438 W CB -0.910 28.583 29.460 0.055 0.000 1.129 438 W HN 0.344 nan 8.180 nan 0.000 0.630 439 Q N 1.031 120.648 119.800 -0.306 0.000 2.365 439 Q HA -0.028 4.314 4.340 0.004 0.000 0.203 439 Q C -0.396 175.570 176.000 -0.057 0.000 0.929 439 Q CA 0.199 55.803 55.803 -0.332 0.000 0.948 439 Q CB -0.269 28.062 28.738 -0.678 0.000 1.043 439 Q HN 0.079 nan 8.270 nan 0.000 0.505 440 D N 1.847 122.290 120.400 0.072 0.000 2.735 440 D HA -0.135 4.507 4.640 0.004 0.000 0.235 440 D C -2.345 174.017 176.300 0.103 0.000 1.175 440 D CA 0.516 54.634 54.000 0.196 0.000 0.683 440 D CB -0.761 40.217 40.800 0.295 0.000 1.008 440 D HN 0.331 nan 8.370 nan 0.000 0.416 441 P HA 0.055 nan 4.420 nan 0.000 0.265 441 P C -0.098 177.210 177.300 0.013 0.000 1.187 441 P CA -0.106 62.984 63.100 -0.017 0.000 0.766 441 P CB 1.062 32.731 31.700 -0.051 0.000 0.820 442 V N 4.850 124.766 119.914 0.003 0.000 2.656 442 V HA 0.328 4.450 4.120 0.004 0.000 0.307 442 V C -2.066 174.029 176.094 0.001 0.000 1.051 442 V CA -1.895 60.414 62.300 0.014 0.000 0.893 442 V CB 1.599 33.440 31.823 0.030 0.000 0.999 442 V HN 0.531 nan 8.190 nan 0.000 0.426 443 P HA 0.294 nan 4.420 nan 0.000 0.269 443 P C -0.531 176.770 177.300 0.003 0.000 1.217 443 P CA -0.014 63.088 63.100 0.003 0.000 0.783 443 P CB 0.468 32.177 31.700 0.016 0.000 0.898 444 A N 1.971 124.787 122.820 -0.007 0.000 2.340 444 A HA 0.295 4.617 4.320 0.004 0.000 0.268 444 A C -0.043 177.539 177.584 -0.003 0.000 1.100 444 A CA -0.537 51.493 52.037 -0.011 0.000 0.803 444 A CB 0.094 19.079 19.000 -0.025 0.000 1.043 444 A HN 0.395 nan 8.150 nan 0.000 0.488 445 V N 2.276 122.190 119.914 0.000 0.000 2.617 445 V HA 0.118 4.240 4.120 0.004 0.000 0.304 445 V C 1.260 177.340 176.094 -0.023 0.000 1.040 445 V CA 1.468 63.776 62.300 0.014 0.000 1.149 445 V CB 0.872 32.705 31.823 0.017 0.000 0.914 445 V HN 1.126 nan 8.190 nan 0.000 0.487 446 S N 3.479 119.157 115.700 -0.037 0.000 2.754 446 S HA 0.383 4.855 4.470 0.004 0.000 0.247 446 S C 0.098 174.340 174.600 -0.597 0.000 1.031 446 S CA -0.492 57.561 58.200 -0.244 0.000 1.014 446 S CB -0.014 63.033 63.200 -0.254 0.000 0.918 446 S HN 0.831 nan 8.310 nan 0.000 0.519 447 H N 0.115 119.200 119.070 0.025 0.000 2.948 447 H HA 0.334 4.892 4.556 0.004 0.000 0.315 447 H C -1.527 173.821 175.328 0.034 0.000 1.360 447 H CA -0.760 55.306 56.048 0.030 0.000 1.125 447 H CB 0.662 30.449 29.762 0.043 0.000 1.844 447 H HN 0.199 nan 8.280 nan 0.000 0.529 448 D N 1.684 122.188 120.400 0.174 0.000 2.414 448 D HA 0.141 4.783 4.640 0.004 0.000 0.242 448 D C 0.529 176.903 176.300 0.123 0.000 1.129 448 D CA 0.008 54.074 54.000 0.111 0.000 0.885 448 D CB 1.235 42.089 40.800 0.090 0.000 1.198 448 D HN 0.180 nan 8.370 nan 0.000 0.437 449 L N 1.334 122.613 121.223 0.093 0.000 2.436 449 L HA 0.139 4.481 4.340 0.004 0.000 0.265 449 L C 0.580 177.514 176.870 0.107 0.000 1.168 449 L CA -0.891 54.006 54.840 0.095 0.000 0.815 449 L CB 0.762 42.858 42.059 0.062 0.000 1.109 449 L HN 0.054 nan 8.230 nan 0.000 0.462 450 V N 1.984 121.971 119.914 0.122 0.000 2.694 450 V HA 0.069 4.191 4.120 0.004 0.000 0.306 450 V C 0.981 177.141 176.094 0.110 0.000 1.054 450 V CA 0.525 62.900 62.300 0.125 0.000 1.161 450 V CB 0.746 32.615 31.823 0.078 0.000 0.916 450 V HN 0.947 nan 8.190 nan 0.000 0.490 451 G N 2.993 111.853 108.800 0.101 0.000 2.642 451 G HA2 0.403 4.365 3.960 0.004 0.000 0.291 451 G HA3 0.403 4.365 3.960 0.004 0.000 0.291 451 G C 0.539 175.482 174.900 0.073 0.000 1.345 451 G CA -0.287 44.861 45.100 0.080 0.000 1.043 451 G HN 0.709 nan 8.290 nan 0.000 0.528 452 E N -0.394 119.842 120.200 0.060 0.000 2.097 452 E HA -0.195 4.157 4.350 0.004 0.000 0.196 452 E C 2.695 179.318 176.600 0.038 0.000 1.000 452 E CA 1.315 57.744 56.400 0.049 0.000 0.804 452 E CB -0.147 29.577 29.700 0.039 0.000 0.740 452 E HN 0.407 nan 8.360 nan 0.000 0.454 453 A N 1.502 124.348 122.820 0.045 0.000 1.855 453 A HA -0.220 4.103 4.320 0.004 0.000 0.215 453 A C 1.984 179.601 177.584 0.056 0.000 1.191 453 A CA 1.576 53.640 52.037 0.045 0.000 0.613 453 A CB -0.384 18.646 19.000 0.050 0.000 0.829 453 A HN 0.067 nan 8.150 nan 0.000 0.442 454 E N 0.072 120.322 120.200 0.083 0.000 2.153 454 E HA -0.100 4.252 4.350 0.004 0.000 0.194 454 E C 1.675 178.252 176.600 -0.038 0.000 0.988 454 E CA 1.037 57.502 56.400 0.108 0.000 0.811 454 E CB -0.372 29.445 29.700 0.196 0.000 0.746 454 E HN 0.713 nan 8.360 nan 0.000 0.466 455 I N 0.176 120.720 120.570 -0.043 0.000 2.546 455 I HA -0.177 3.995 4.170 0.004 0.000 0.255 455 I C 2.118 178.162 176.117 -0.121 0.000 1.163 455 I CA 0.750 61.975 61.300 -0.125 0.000 1.457 455 I CB -0.126 37.855 38.000 -0.033 0.000 1.092 455 I HN 0.094 nan 8.210 nan 0.000 0.434 456 A N -0.122 122.667 122.820 -0.052 0.000 1.872 456 A HA -0.187 4.135 4.320 0.004 0.000 0.214 456 A C 2.463 180.019 177.584 -0.046 0.000 1.187 456 A CA 1.791 53.803 52.037 -0.041 0.000 0.614 456 A CB -0.838 18.156 19.000 -0.010 0.000 0.826 456 A HN 0.355 nan 8.150 nan 0.000 0.442 457 S N -0.119 115.570 115.700 -0.019 0.000 2.359 457 S HA -0.179 4.294 4.470 0.004 0.000 0.223 457 S C 1.989 176.565 174.600 -0.039 0.000 1.039 457 S CA 1.785 59.989 58.200 0.006 0.000 1.042 457 S CB -0.585 62.666 63.200 0.086 0.000 0.915 457 S HN 0.452 nan 8.310 nan 0.000 0.439 458 L N 0.843 121.992 121.223 -0.123 0.000 2.083 458 L HA -0.086 4.256 4.340 0.004 0.000 0.209 458 L C 2.759 179.526 176.870 -0.172 0.000 1.083 458 L CA 1.447 56.165 54.840 -0.204 0.000 0.752 458 L CB -0.443 41.378 42.059 -0.396 0.000 0.899 458 L HN 0.318 nan 8.230 nan 0.000 0.433 459 K N -0.559 119.738 120.400 -0.170 0.000 2.147 459 K HA -0.108 4.214 4.320 0.004 0.000 0.205 459 K C 2.248 178.794 176.600 -0.090 0.000 1.049 459 K CA 1.438 57.639 56.287 -0.144 0.000 0.936 459 K CB -0.057 32.364 32.500 -0.133 0.000 0.722 459 K HN 0.216 nan 8.250 nan 0.000 0.446 460 S N 1.164 116.824 115.700 -0.066 0.000 2.377 460 S HA -0.096 4.377 4.470 0.004 0.000 0.223 460 S C 1.869 176.450 174.600 -0.033 0.000 1.030 460 S CA 0.837 59.013 58.200 -0.040 0.000 0.970 460 S CB -0.019 63.168 63.200 -0.023 0.000 0.830 460 S HN 0.309 nan 8.310 nan 0.000 0.473 461 Q N 0.589 120.369 119.800 -0.033 0.000 2.084 461 Q HA -0.001 4.341 4.340 0.004 0.000 0.202 461 Q C 2.041 178.023 176.000 -0.031 0.000 0.978 461 Q CA 1.168 56.960 55.803 -0.018 0.000 0.844 461 Q CB -0.322 28.414 28.738 -0.003 0.000 0.898 461 Q HN 0.517 nan 8.270 nan 0.000 0.426 462 I N 0.256 120.792 120.570 -0.057 0.000 2.394 462 I HA -0.243 3.930 4.170 0.004 0.000 0.251 462 I C 2.097 178.189 176.117 -0.041 0.000 1.136 462 I CA 1.005 62.272 61.300 -0.056 0.000 1.425 462 I CB -0.168 37.780 38.000 -0.087 0.000 1.079 462 I HN 0.119 nan 8.210 nan 0.000 0.425 463 R N 0.683 121.157 120.500 -0.043 0.000 2.235 463 R HA 0.021 4.364 4.340 0.004 0.000 0.213 463 R C 1.866 178.153 176.300 -0.022 0.000 1.059 463 R CA 1.022 57.102 56.100 -0.033 0.000 0.997 463 R CB -0.120 30.158 30.300 -0.035 0.000 0.884 463 R HN 0.304 nan 8.270 nan 0.000 0.462 464 A N 0.491 123.300 122.820 -0.018 0.000 2.348 464 A HA 0.026 4.348 4.320 0.004 0.000 0.224 464 A C 1.884 179.465 177.584 -0.005 0.000 1.227 464 A CA 0.205 52.236 52.037 -0.009 0.000 0.885 464 A CB 0.084 19.080 19.000 -0.006 0.000 0.933 464 A HN 0.281 nan 8.150 nan 0.000 0.506 465 S N -1.378 114.318 115.700 -0.006 0.000 2.423 465 S HA 0.260 4.732 4.470 0.004 0.000 0.231 465 S C 1.602 176.204 174.600 0.003 0.000 1.014 465 S CA 1.466 59.667 58.200 0.000 0.000 0.965 465 S CB -0.282 62.918 63.200 -0.001 0.000 0.785 465 S HN 1.742 nan 8.310 nan 0.000 0.495 466 G N 0.375 109.175 108.800 0.000 0.000 2.211 466 G HA2 -0.153 3.809 3.960 0.004 0.000 0.201 466 G HA3 -0.153 3.809 3.960 0.004 0.000 0.201 466 G C -0.089 174.814 174.900 0.004 0.000 0.997 466 G CA -0.109 44.992 45.100 0.003 0.000 0.652 466 G HN 0.490 nan 8.290 nan 0.000 0.500 467 L N 2.778 124.003 121.223 0.003 0.000 2.380 467 L HA 0.470 4.812 4.340 0.004 0.000 0.273 467 L C 1.662 178.533 176.870 0.001 0.000 1.138 467 L CA 0.086 54.929 54.840 0.006 0.000 0.832 467 L CB 0.895 42.959 42.059 0.008 0.000 1.124 467 L HN 0.415 nan 8.230 nan 0.000 0.454 468 T N -0.542 114.014 114.554 0.004 0.000 2.726 468 T HA 0.141 4.494 4.350 0.004 0.000 0.294 468 T C 1.259 175.955 174.700 -0.006 0.000 1.013 468 T CA -0.857 61.243 62.100 -0.001 0.000 0.996 468 T CB 1.253 70.123 68.868 0.003 0.000 1.016 468 T HN 0.253 nan 8.240 nan 0.000 0.529 469 V N 1.088 120.992 119.914 -0.017 0.000 2.358 469 V HA -0.132 3.991 4.120 0.004 0.000 0.246 469 V C 3.049 179.131 176.094 -0.019 0.000 1.047 469 V CA 2.228 64.509 62.300 -0.032 0.000 1.035 469 V CB -0.999 30.795 31.823 -0.049 0.000 0.658 469 V HN 1.098 nan 8.190 nan 0.000 0.452 470 S N -0.599 115.096 115.700 -0.007 0.000 2.353 470 S HA -0.306 4.166 4.470 0.004 0.000 0.222 470 S C 2.039 176.662 174.600 0.039 0.000 1.035 470 S CA 2.224 60.431 58.200 0.010 0.000 1.025 470 S CB -0.216 62.990 63.200 0.011 0.000 0.902 470 S HN 0.714 nan 8.310 nan 0.000 0.440 471 Q N 0.368 120.189 119.800 0.036 0.000 2.050 471 Q HA -0.066 4.276 4.340 0.004 0.000 0.202 471 Q C 2.392 178.432 176.000 0.067 0.000 0.980 471 Q CA 1.783 57.617 55.803 0.052 0.000 0.840 471 Q CB -0.388 28.373 28.738 0.039 0.000 0.898 471 Q HN 0.520 nan 8.270 nan 0.000 0.424 472 L N -0.113 121.137 121.223 0.046 0.000 2.017 472 L HA -0.199 4.143 4.340 0.004 0.000 0.208 472 L C 2.414 179.350 176.870 0.109 0.000 1.073 472 L CA 0.885 55.756 54.840 0.052 0.000 0.745 472 L CB -0.606 41.459 42.059 0.011 0.000 0.894 472 L HN 0.107 nan 8.230 nan 0.000 0.432 473 V N -0.946 119.019 119.914 0.086 0.000 2.295 473 V HA -0.276 3.846 4.120 0.004 0.000 0.246 473 V C 2.628 178.915 176.094 0.322 0.000 1.049 473 V CA 2.011 64.401 62.300 0.150 0.000 1.024 473 V CB -0.260 31.566 31.823 0.004 0.000 0.648 473 V HN 0.359 nan 8.190 nan 0.000 0.447 474 S N -0.306 115.528 115.700 0.223 0.000 2.368 474 S HA -0.203 4.269 4.470 0.004 0.000 0.225 474 S C 2.084 176.855 174.600 0.284 0.000 1.030 474 S CA 2.033 60.390 58.200 0.262 0.000 0.999 474 S CB -0.393 62.913 63.200 0.178 0.000 0.844 474 S HN 0.726 nan 8.310 nan 0.000 0.459 475 T N 2.203 116.881 114.554 0.207 0.000 2.788 475 T HA -0.022 4.331 4.350 0.004 0.000 0.268 475 T C 2.082 176.882 174.700 0.167 0.000 1.044 475 T CA 1.176 63.373 62.100 0.162 0.000 1.139 475 T CB -0.449 68.484 68.868 0.109 0.000 0.867 475 T HN 0.447 nan 8.240 nan 0.000 0.454 476 A N 1.302 124.267 122.820 0.240 0.000 1.873 476 A HA -0.074 4.248 4.320 0.004 0.000 0.215 476 A C 2.152 179.827 177.584 0.150 0.000 1.186 476 A CA 1.123 53.297 52.037 0.228 0.000 0.616 476 A CB -1.066 18.217 19.000 0.471 0.000 0.823 476 A HN 0.719 nan 8.150 nan 0.000 0.442 477 W N 0.858 122.245 121.300 0.144 0.000 2.355 477 W HA -0.201 4.462 4.660 0.004 0.000 0.309 477 W C 2.339 178.873 176.519 0.025 0.000 1.206 477 W CA 2.167 59.522 57.345 0.017 0.000 1.284 477 W CB -0.414 29.147 29.460 0.168 0.000 1.145 477 W HN 0.426 nan 8.180 nan 0.000 0.502 478 A N 1.071 123.999 122.820 0.179 0.000 1.917 478 A HA -0.171 4.151 4.320 0.004 0.000 0.219 478 A C 2.172 179.753 177.584 -0.005 0.000 1.182 478 A CA 3.079 55.179 52.037 0.106 0.000 0.633 478 A CB -1.357 17.751 19.000 0.181 0.000 0.819 478 A HN 0.358 nan 8.150 nan 0.000 0.448 479 A N -0.492 122.317 122.820 -0.020 0.000 1.873 479 A HA 0.232 4.554 4.320 0.004 0.000 0.215 479 A C 2.520 180.036 177.584 -0.114 0.000 1.186 479 A CA 2.070 54.082 52.037 -0.043 0.000 0.616 479 A CB -1.012 17.968 19.000 -0.032 0.000 0.823 479 A HN 1.064 nan 8.150 nan 0.000 0.442 480 A N 0.214 122.887 122.820 -0.245 0.000 1.897 480 A HA -0.016 4.306 4.320 0.004 0.000 0.215 480 A C 2.356 179.693 177.584 -0.413 0.000 1.181 480 A CA 1.950 53.778 52.037 -0.348 0.000 0.620 480 A CB -0.940 17.759 19.000 -0.503 0.000 0.821 480 A HN 1.038 nan 8.150 nan 0.000 0.443 481 S N 0.760 116.060 115.700 -0.665 0.000 2.595 481 S HA -0.073 4.399 4.470 0.004 0.000 0.235 481 S C 1.496 175.974 174.600 -0.203 0.000 0.974 481 S CA 1.157 58.955 58.200 -0.671 0.000 0.942 481 S CB -0.828 61.672 63.200 -1.167 0.000 0.766 481 S HN 0.788 nan 8.310 nan 0.000 0.536 482 S N 0.081 115.756 115.700 -0.041 0.000 2.607 482 S HA 0.227 4.700 4.470 0.004 0.000 0.224 482 S C 0.084 174.773 174.600 0.149 0.000 0.969 482 S CA -0.724 57.557 58.200 0.136 0.000 0.927 482 S CB -0.777 62.589 63.200 0.276 0.000 0.772 482 S HN 0.553 nan 8.310 nan 0.000 0.533 483 F N 3.826 123.744 119.950 -0.053 0.000 2.375 483 F HA 0.537 5.066 4.527 0.004 0.000 0.333 483 F C 0.320 176.106 175.800 -0.024 0.000 1.104 483 F CA -1.113 56.871 58.000 -0.026 0.000 1.149 483 F CB 0.934 39.893 39.000 -0.067 0.000 1.190 483 F HN 0.152 nan 8.300 nan 0.000 0.533 484 R N 3.627 123.610 120.500 -0.863 0.000 2.533 484 R HA 0.448 4.790 4.340 0.004 0.000 0.288 484 R C 0.101 175.919 176.300 -0.804 0.000 1.039 484 R CA -0.521 55.248 56.100 -0.552 0.000 0.909 484 R CB 1.105 31.233 30.300 -0.286 0.000 1.195 484 R HN 0.789 nan 8.270 nan 0.000 0.438 485 G N 1.526 110.110 108.800 -0.360 0.000 2.559 485 G HA2 -0.245 3.717 3.960 0.004 0.000 0.216 485 G HA3 -0.245 3.717 3.960 0.004 0.000 0.216 485 G C 1.057 175.910 174.900 -0.078 0.000 1.126 485 G CA 0.758 45.792 45.100 -0.110 0.000 0.778 485 G HN 0.757 nan 8.290 nan 0.000 0.543 486 S N 2.132 117.765 115.700 -0.112 0.000 2.404 486 S HA -0.182 4.291 4.470 0.004 0.000 0.216 486 S C 1.719 176.302 174.600 -0.028 0.000 1.039 486 S CA 1.615 59.783 58.200 -0.053 0.000 1.062 486 S CB -0.527 62.634 63.200 -0.066 0.000 1.046 486 S HN 0.457 nan 8.310 nan 0.000 0.415 487 D N 0.493 120.875 120.400 -0.029 0.000 2.340 487 D HA 0.134 4.776 4.640 0.004 0.000 0.217 487 D C -0.009 176.250 176.300 -0.068 0.000 1.081 487 D CA -0.095 53.917 54.000 0.020 0.000 0.842 487 D CB -0.666 40.251 40.800 0.195 0.000 0.934 487 D HN 0.591 nan 8.370 nan 0.000 0.511 488 K N 0.116 120.407 120.400 -0.181 0.000 3.035 488 K HA -0.224 4.098 4.320 0.004 0.000 0.262 488 K C -0.150 176.372 176.600 -0.130 0.000 1.024 488 K CA 0.494 56.650 56.287 -0.219 0.000 0.748 488 K CB -1.209 31.311 32.500 0.034 0.000 1.247 488 K HN 0.363 nan 8.250 nan 0.000 0.482 489 R N 0.090 120.458 120.500 -0.220 0.000 2.596 489 R HA 0.571 4.913 4.340 0.004 0.000 0.267 489 R C 0.892 177.173 176.300 -0.031 0.000 1.026 489 R CA 0.053 56.107 56.100 -0.076 0.000 1.087 489 R CB 1.277 31.507 30.300 -0.115 0.000 1.132 489 R HN 0.337 nan 8.270 nan 0.000 0.531 490 G N -0.473 108.409 108.800 0.137 0.000 2.760 490 G HA2 0.191 4.153 3.960 0.004 0.000 0.246 490 G HA3 0.191 4.153 3.960 0.004 0.000 0.246 490 G C -0.045 175.086 174.900 0.386 0.000 1.359 490 G CA -0.460 44.807 45.100 0.280 0.000 0.861 490 G HN 1.124 nan 8.290 nan 0.000 0.541 491 G N -2.870 106.106 108.800 0.293 0.000 2.343 491 G HA2 0.535 4.497 3.960 0.004 0.000 0.562 491 G HA3 0.535 4.497 3.960 0.004 0.000 0.562 491 G C 0.818 175.751 174.900 0.056 0.000 1.269 491 G CA 1.040 46.239 45.100 0.165 0.000 1.011 491 G HN 2.388 nan 8.290 nan 0.000 0.498 492 A N -0.528 122.268 122.820 -0.041 0.000 2.072 492 A HA 0.314 4.636 4.320 0.004 0.000 0.216 492 A C 1.236 178.810 177.584 -0.017 0.000 1.156 492 A CA 1.504 53.508 52.037 -0.054 0.000 0.701 492 A CB -0.318 18.610 19.000 -0.120 0.000 0.816 492 A HN 0.891 nan 8.150 nan 0.000 0.458 493 N N -0.339 118.360 118.700 -0.001 0.000 2.479 493 N HA 0.313 5.055 4.740 0.004 0.000 0.257 493 N C 1.153 176.695 175.510 0.052 0.000 1.232 493 N CA 1.549 54.611 53.050 0.019 0.000 0.920 493 N CB 0.835 39.338 38.487 0.026 0.000 1.105 493 N HN 0.562 nan 8.380 nan 0.000 0.444 494 G N 1.392 110.222 108.800 0.050 0.000 2.258 494 G HA2 -0.222 3.740 3.960 0.004 0.000 0.233 494 G HA3 -0.222 3.740 3.960 0.004 0.000 0.233 494 G C 0.758 175.692 174.900 0.056 0.000 1.006 494 G CA 0.335 45.464 45.100 0.048 0.000 0.620 494 G HN 1.510 nan 8.290 nan 0.000 0.511 495 G N 0.004 108.855 108.800 0.084 0.000 2.258 495 G HA2 -0.339 3.623 3.960 0.004 0.000 0.274 495 G HA3 -0.339 3.623 3.960 0.004 0.000 0.274 495 G C 0.896 175.858 174.900 0.103 0.000 1.021 495 G CA 1.434 46.645 45.100 0.185 0.000 0.798 495 G HN 1.002 nan 8.290 nan 0.000 0.507 496 R N -0.886 119.601 120.500 -0.023 0.000 2.357 496 R HA 0.094 4.436 4.340 0.004 0.000 0.202 496 R C 2.415 178.609 176.300 -0.176 0.000 1.047 496 R CA 0.845 56.846 56.100 -0.165 0.000 1.034 496 R CB -0.162 29.942 30.300 -0.325 0.000 0.875 496 R HN 0.533 nan 8.270 nan 0.000 0.473 497 I N 1.749 122.287 120.570 -0.052 0.000 2.567 497 I HA -0.234 3.938 4.170 0.004 0.000 0.257 497 I C 1.949 178.032 176.117 -0.057 0.000 1.184 497 I CA 1.404 62.669 61.300 -0.059 0.000 1.451 497 I CB -0.056 37.972 38.000 0.048 0.000 1.089 497 I HN 0.053 nan 8.210 nan 0.000 0.441 498 R N -0.278 120.200 120.500 -0.036 0.000 2.359 498 R HA 0.267 4.609 4.340 0.004 0.000 0.231 498 R C -0.191 176.002 176.300 -0.179 0.000 0.913 498 R CA -0.042 55.983 56.100 -0.126 0.000 1.075 498 R CB -0.236 29.879 30.300 -0.308 0.000 1.087 498 R HN 0.269 nan 8.270 nan 0.000 0.515 499 L N 0.207 121.311 121.223 -0.198 0.000 2.286 499 L HA 0.445 4.788 4.340 0.004 0.000 0.265 499 L C -0.378 176.348 176.870 -0.241 0.000 1.012 499 L CA -1.614 53.102 54.840 -0.207 0.000 0.818 499 L CB 1.546 43.474 42.059 -0.220 0.000 1.337 499 L HN -0.047 nan 8.230 nan 0.000 0.438 500 Q N 2.048 121.732 119.800 -0.192 0.000 2.327 500 Q HA 0.193 4.535 4.340 0.004 0.000 0.254 500 Q C -1.900 173.971 176.000 -0.214 0.000 0.952 500 Q CA -1.253 54.447 55.803 -0.172 0.000 0.884 500 Q CB 1.112 29.799 28.738 -0.084 0.000 1.224 500 Q HN 0.178 nan 8.270 nan 0.000 0.422 501 P HA -0.009 nan 4.420 nan 0.000 0.257 501 P C 0.069 176.938 177.300 -0.718 0.000 1.241 501 P CA 0.559 63.526 63.100 -0.221 0.000 0.816 501 P CB 0.585 32.355 31.700 0.117 0.000 1.150 502 Q N 0.273 119.458 119.800 -1.025 0.000 2.181 502 Q HA -0.079 4.263 4.340 0.004 0.000 0.205 502 Q C 2.048 177.670 176.000 -0.631 0.000 0.980 502 Q CA 1.497 56.477 55.803 -1.371 0.000 0.862 502 Q CB -0.612 27.527 28.738 -0.998 0.000 0.905 502 Q HN 0.159 nan 8.270 nan 0.000 0.429 503 V N -0.393 119.301 119.914 -0.367 0.000 2.720 503 V HA -0.126 3.997 4.120 0.004 0.000 0.256 503 V C 1.824 177.861 176.094 -0.094 0.000 1.082 503 V CA 1.706 63.903 62.300 -0.171 0.000 1.101 503 V CB -0.604 31.145 31.823 -0.124 0.000 0.693 503 V HN 0.446 nan 8.190 nan 0.000 0.479 504 G N -2.321 106.413 108.800 -0.111 0.000 3.277 504 G HA2 0.087 4.049 3.960 0.004 0.000 0.243 504 G HA3 0.087 4.049 3.960 0.004 0.000 0.243 504 G C 0.034 175.048 174.900 0.190 0.000 1.107 504 G CA -0.460 44.661 45.100 0.034 0.000 0.771 504 G HN 0.304 nan 8.290 nan 0.000 0.544 505 W N 1.133 122.454 121.300 0.035 0.000 2.158 505 W HA 0.326 4.988 4.660 0.004 0.000 0.339 505 W C 1.179 177.709 176.519 0.019 0.000 1.294 505 W CA -0.969 56.391 57.345 0.025 0.000 1.231 505 W CB 1.012 30.477 29.460 0.008 0.000 1.143 505 W HN 0.189 nan 8.180 nan 0.000 0.571 506 E N 1.456 121.790 120.200 0.224 0.000 2.077 506 E HA -0.177 4.175 4.350 0.004 0.000 0.193 506 E C 1.687 178.313 176.600 0.043 0.000 0.989 506 E CA 1.826 58.321 56.400 0.158 0.000 0.800 506 E CB -0.279 29.523 29.700 0.169 0.000 0.746 506 E HN 0.199 nan 8.360 nan 0.000 0.452 507 V N 1.437 121.170 119.914 -0.301 0.000 2.324 507 V HA -0.281 3.841 4.120 0.004 0.000 0.250 507 V C 1.580 177.685 176.094 0.019 0.000 1.060 507 V CA 2.155 64.124 62.300 -0.552 0.000 1.042 507 V CB -0.848 30.653 31.823 -0.536 0.000 0.650 507 V HN 0.277 nan 8.190 nan 0.000 0.450 508 N N -0.167 118.625 118.700 0.154 0.000 2.461 508 N HA 0.010 4.753 4.740 0.004 0.000 0.188 508 N C 0.460 176.069 175.510 0.165 0.000 1.134 508 N CA 0.460 53.619 53.050 0.181 0.000 0.878 508 N CB -0.679 37.910 38.487 0.170 0.000 0.972 508 N HN 0.691 nan 8.380 nan 0.000 0.456 509 D N 1.238 121.754 120.400 0.194 0.000 8.243 509 D HA -0.155 4.487 4.640 0.004 0.000 0.131 509 D C -1.641 174.722 176.300 0.105 0.000 1.185 509 D CA -0.137 53.966 54.000 0.172 0.000 0.889 509 D CB 0.638 41.559 40.800 0.201 0.000 1.714 509 D HN 0.163 nan 8.370 nan 0.000 0.978 510 P HA -0.098 nan 4.420 nan 0.000 0.225 510 P C 1.153 178.481 177.300 0.047 0.000 1.156 510 P CA 0.926 64.061 63.100 0.059 0.000 0.787 510 P CB -0.042 31.686 31.700 0.047 0.000 0.802 511 D N 0.735 121.166 120.400 0.052 0.000 6.235 511 D HA -0.242 4.401 4.640 0.004 0.000 0.293 511 D C 1.037 177.353 176.300 0.026 0.000 1.817 511 D CA 2.435 56.458 54.000 0.038 0.000 0.850 511 D CB -1.426 39.391 40.800 0.028 0.000 0.721 511 D HN 0.323 nan 8.370 nan 0.000 0.899 512 G N -1.278 107.536 108.800 0.022 0.000 5.338 512 G HA2 0.326 4.288 3.960 0.004 0.000 0.198 512 G HA3 0.326 4.288 3.960 0.004 0.000 0.198 512 G C -0.284 174.628 174.900 0.020 0.000 0.708 512 G CA 0.284 45.395 45.100 0.019 0.000 0.626 512 G HN 0.258 nan 8.290 nan 0.000 0.419 513 D N -0.695 119.722 120.400 0.028 0.000 1.825 513 D HA -0.073 4.570 4.640 0.004 0.000 0.468 513 D C 2.007 178.334 176.300 0.044 0.000 1.150 513 D CA -0.112 53.908 54.000 0.033 0.000 1.197 513 D CB -0.154 40.665 40.800 0.032 0.000 2.044 513 D HN 0.156 nan 8.370 nan 0.000 0.452 514 L N 2.285 123.540 121.223 0.053 0.000 2.081 514 L HA -0.087 4.255 4.340 0.004 0.000 0.212 514 L C 2.013 178.917 176.870 0.057 0.000 1.080 514 L CA 1.880 56.758 54.840 0.063 0.000 0.754 514 L CB -0.276 41.822 42.059 0.065 0.000 0.893 514 L HN -0.053 nan 8.230 nan 0.000 0.433 515 R N 0.174 120.698 120.500 0.040 0.000 2.096 515 R HA -0.117 4.225 4.340 0.004 0.000 0.235 515 R C 2.169 178.490 176.300 0.035 0.000 1.127 515 R CA 1.528 57.645 56.100 0.029 0.000 0.968 515 R CB -0.510 29.800 30.300 0.017 0.000 0.861 515 R HN 0.522 nan 8.270 nan 0.000 0.440 516 K N 0.143 120.565 120.400 0.037 0.000 2.097 516 K HA -0.022 4.300 4.320 0.004 0.000 0.205 516 K C 2.113 178.743 176.600 0.050 0.000 1.050 516 K CA 1.010 57.319 56.287 0.036 0.000 0.938 516 K CB -0.057 32.461 32.500 0.030 0.000 0.718 516 K HN -0.062 nan 8.250 nan 0.000 0.442 517 V N 1.892 121.843 119.914 0.062 0.000 2.307 517 V HA -0.219 3.903 4.120 0.004 0.000 0.245 517 V C 2.191 178.356 176.094 0.118 0.000 1.045 517 V CA 1.513 63.858 62.300 0.075 0.000 1.024 517 V CB -0.405 31.464 31.823 0.076 0.000 0.651 517 V HN 0.254 nan 8.190 nan 0.000 0.449 518 I N 0.007 120.666 120.570 0.148 0.000 2.127 518 I HA -0.290 3.882 4.170 0.004 0.000 0.241 518 I C 2.775 178.996 176.117 0.172 0.000 1.075 518 I CA 2.073 63.518 61.300 0.242 0.000 1.334 518 I CB -0.507 37.575 38.000 0.137 0.000 1.040 518 I HN 0.248 nan 8.210 nan 0.000 0.405 519 R N 0.677 121.223 120.500 0.077 0.000 2.103 519 R HA -0.187 4.155 4.340 0.004 0.000 0.242 519 R C 2.224 178.565 176.300 0.069 0.000 1.142 519 R CA 2.301 58.429 56.100 0.047 0.000 0.960 519 R CB -0.357 29.958 30.300 0.025 0.000 0.858 519 R HN 0.287 nan 8.270 nan 0.000 0.439 520 T N 1.527 116.126 114.554 0.074 0.000 2.737 520 T HA -0.083 4.270 4.350 0.004 0.000 0.265 520 T C 1.827 176.576 174.700 0.082 0.000 1.038 520 T CA 1.439 63.577 62.100 0.063 0.000 1.144 520 T CB -0.151 68.745 68.868 0.046 0.000 0.866 520 T HN 0.183 nan 8.240 nan 0.000 0.434 521 L N 0.753 122.048 121.223 0.119 0.000 2.083 521 L HA -0.113 4.229 4.340 0.004 0.000 0.209 521 L C 2.705 179.697 176.870 0.202 0.000 1.083 521 L CA 1.395 56.308 54.840 0.120 0.000 0.752 521 L CB -0.616 41.491 42.059 0.080 0.000 0.899 521 L HN 0.368 nan 8.230 nan 0.000 0.433 522 E N 0.018 120.370 120.200 0.253 0.000 2.106 522 E HA -0.214 4.138 4.350 0.004 0.000 0.192 522 E C 2.030 178.694 176.600 0.107 0.000 0.984 522 E CA 1.091 57.602 56.400 0.185 0.000 0.806 522 E CB 0.005 29.737 29.700 0.052 0.000 0.750 522 E HN 0.570 nan 8.360 nan 0.000 0.458 523 E N 0.603 120.852 120.200 0.082 0.000 2.107 523 E HA -0.126 4.226 4.350 0.004 0.000 0.191 523 E C 2.137 178.779 176.600 0.070 0.000 0.982 523 E CA 0.642 57.078 56.400 0.060 0.000 0.809 523 E CB -0.032 29.695 29.700 0.044 0.000 0.756 523 E HN 0.273 nan 8.360 nan 0.000 0.459 524 I N 1.411 122.024 120.570 0.072 0.000 2.315 524 I HA -0.290 3.882 4.170 0.004 0.000 0.248 524 I C 2.818 179.000 176.117 0.108 0.000 1.117 524 I CA 1.105 62.447 61.300 0.071 0.000 1.404 524 I CB -0.195 37.821 38.000 0.028 0.000 1.071 524 I HN 0.176 nan 8.210 nan 0.000 0.419 525 Q N 1.159 121.024 119.800 0.108 0.000 2.046 525 Q HA -0.289 4.053 4.340 0.004 0.000 0.200 525 Q C 2.046 178.136 176.000 0.151 0.000 0.975 525 Q CA 2.032 57.916 55.803 0.135 0.000 0.836 525 Q CB -0.003 28.822 28.738 0.146 0.000 0.896 525 Q HN 0.424 nan 8.270 nan 0.000 0.428 526 E N 0.869 121.131 120.200 0.104 0.000 2.023 526 E HA -0.220 4.132 4.350 0.004 0.000 0.196 526 E C 1.982 178.622 176.600 0.067 0.000 1.003 526 E CA 2.587 59.029 56.400 0.070 0.000 0.809 526 E CB -0.485 29.243 29.700 0.046 0.000 0.755 526 E HN 0.446 nan 8.360 nan 0.000 0.449 527 S N -0.724 115.020 115.700 0.074 0.000 2.400 527 S HA -0.190 4.282 4.470 0.004 0.000 0.232 527 S C 2.095 176.734 174.600 0.064 0.000 1.025 527 S CA 1.124 59.358 58.200 0.056 0.000 0.993 527 S CB -0.803 62.432 63.200 0.060 0.000 0.808 527 S HN 0.428 nan 8.310 nan 0.000 0.478 528 F N 3.399 123.343 119.950 -0.009 0.000 2.128 528 F HA 0.076 4.605 4.527 0.004 0.000 0.295 528 F C 2.110 177.897 175.800 -0.021 0.000 1.100 528 F CA 1.454 59.445 58.000 -0.015 0.000 1.260 528 F CB -0.464 38.526 39.000 -0.015 0.000 1.009 528 F HN 0.125 nan 8.300 nan 0.000 0.476 529 N N 0.299 119.045 118.700 0.076 0.000 2.223 529 N HA -0.165 4.577 4.740 0.004 0.000 0.185 529 N C 2.097 177.523 175.510 -0.141 0.000 1.016 529 N CA 1.542 54.567 53.050 -0.042 0.000 0.863 529 N CB -0.674 37.834 38.487 0.034 0.000 0.983 529 N HN 0.464 nan 8.380 nan 0.000 0.429 530 S N 0.018 115.656 115.700 -0.104 0.000 2.406 530 S HA 0.115 4.587 4.470 0.004 0.000 0.228 530 S C 1.895 176.412 174.600 -0.137 0.000 1.020 530 S CA 0.756 58.898 58.200 -0.096 0.000 0.965 530 S CB -0.064 63.103 63.200 -0.055 0.000 0.798 530 S HN 0.279 nan 8.310 nan 0.000 0.488 531 A N 1.289 123.991 122.820 -0.198 0.000 2.195 531 A HA 0.739 5.061 4.320 0.004 0.000 0.210 531 A C 1.220 178.607 177.584 -0.329 0.000 1.165 531 A CA 0.263 52.170 52.037 -0.217 0.000 0.806 531 A CB -0.871 18.018 19.000 -0.185 0.000 0.847 531 A HN 0.828 nan 8.150 nan 0.000 0.482 532 A N 1.198 123.724 122.820 -0.490 0.000 2.586 532 A HA 0.395 4.717 4.320 0.004 0.000 0.231 532 A C -1.127 176.299 177.584 -0.263 0.000 1.055 532 A CA -0.451 51.250 52.037 -0.561 0.000 0.756 532 A CB -0.367 18.334 19.000 -0.498 0.000 0.988 532 A HN 0.333 nan 8.150 nan 0.000 0.509 533 P HA 0.092 nan 4.420 nan 0.000 0.286 533 P C 0.803 178.071 177.300 -0.054 0.000 1.394 533 P CA 0.607 63.654 63.100 -0.087 0.000 0.763 533 P CB -0.005 31.669 31.700 -0.043 0.000 1.632 534 G N 0.768 109.557 108.800 -0.019 0.000 2.605 534 G HA2 0.080 4.043 3.960 0.004 0.000 0.301 534 G HA3 0.080 4.043 3.960 0.004 0.000 0.301 534 G C 0.310 175.223 174.900 0.021 0.000 0.881 534 G CA -0.021 45.079 45.100 -0.001 0.000 1.553 534 G HN 0.577 nan 8.290 nan 0.000 0.483 535 N N 0.235 118.948 118.700 0.022 0.000 2.741 535 N HA -0.183 4.559 4.740 0.004 0.000 0.250 535 N C 0.030 175.594 175.510 0.090 0.000 1.115 535 N CA 0.573 53.665 53.050 0.071 0.000 0.724 535 N CB -0.852 37.695 38.487 0.100 0.000 1.090 535 N HN 0.532 nan 8.380 nan 0.000 0.558 536 I N 0.927 121.524 120.570 0.045 0.000 2.359 536 I HA 0.281 4.453 4.170 0.004 0.000 0.294 536 I C 0.192 176.352 176.117 0.072 0.000 0.987 536 I CA -0.344 61.011 61.300 0.091 0.000 1.225 536 I CB 1.366 39.437 38.000 0.118 0.000 1.366 536 I HN -0.146 nan 8.210 nan 0.000 0.466 537 K N 5.320 125.782 120.400 0.104 0.000 2.508 537 K HA 0.620 4.942 4.320 0.004 0.000 0.260 537 K C -1.343 175.358 176.600 0.168 0.000 0.949 537 K CA -0.717 55.620 56.287 0.083 0.000 0.834 537 K CB 2.899 35.276 32.500 -0.206 0.000 1.365 537 K HN 0.308 nan 8.250 nan 0.000 0.437 538 V N 0.668 120.692 119.914 0.183 0.000 2.864 538 V HA 0.573 4.695 4.120 0.004 0.000 0.314 538 V C -0.393 175.752 176.094 0.085 0.000 1.073 538 V CA -0.447 61.905 62.300 0.087 0.000 0.956 538 V CB 2.080 33.852 31.823 -0.084 0.000 1.023 538 V HN 0.976 nan 8.190 nan 0.000 0.435 539 S N 4.245 119.993 115.700 0.079 0.000 2.687 539 S HA 0.377 4.850 4.470 0.004 0.000 0.283 539 S C 0.617 175.282 174.600 0.109 0.000 1.170 539 S CA -0.142 58.122 58.200 0.106 0.000 1.008 539 S CB 1.227 64.489 63.200 0.103 0.000 1.026 539 S HN 0.880 nan 8.310 nan 0.000 0.541 540 F N 1.815 121.774 119.950 0.014 0.000 2.171 540 F HA 0.063 4.592 4.527 0.004 0.000 0.300 540 F C 2.351 178.158 175.800 0.011 0.000 1.090 540 F CA 1.506 59.509 58.000 0.005 0.000 1.293 540 F CB -0.902 38.096 39.000 -0.003 0.000 1.013 540 F HN 0.759 nan 8.300 nan 0.000 0.486 541 A N 0.006 122.859 122.820 0.055 0.000 1.940 541 A HA -0.224 4.098 4.320 0.004 0.000 0.219 541 A C 1.953 179.494 177.584 -0.072 0.000 1.176 541 A CA 2.179 54.201 52.037 -0.026 0.000 0.631 541 A CB -0.980 18.055 19.000 0.058 0.000 0.814 541 A HN 0.448 nan 8.150 nan 0.000 0.446 542 D N -0.856 119.544 120.400 -0.001 0.000 2.194 542 D HA -0.024 4.619 4.640 0.004 0.000 0.204 542 D C 1.756 178.083 176.300 0.045 0.000 0.964 542 D CA 0.530 54.611 54.000 0.136 0.000 0.846 542 D CB -0.194 40.761 40.800 0.258 0.000 0.962 542 D HN 0.248 nan 8.370 nan 0.000 0.490 543 L N 0.461 121.599 121.223 -0.142 0.000 2.046 543 L HA -0.134 4.208 4.340 0.004 0.000 0.208 543 L C 2.393 179.105 176.870 -0.263 0.000 1.077 543 L CA 1.029 55.725 54.840 -0.240 0.000 0.747 543 L CB -0.646 41.259 42.059 -0.257 0.000 0.896 543 L HN -0.074 nan 8.230 nan 0.000 0.432 544 V N -1.406 118.275 119.914 -0.389 0.000 2.255 544 V HA -0.307 3.815 4.120 0.004 0.000 0.247 544 V C 2.428 178.475 176.094 -0.079 0.000 1.051 544 V CA 1.775 63.894 62.300 -0.300 0.000 1.018 544 V CB -0.650 30.954 31.823 -0.366 0.000 0.641 544 V HN 0.259 nan 8.190 nan 0.000 0.445 545 V N -0.523 119.385 119.914 -0.010 0.000 2.358 545 V HA -0.208 3.914 4.120 0.004 0.000 0.246 545 V C 2.351 178.560 176.094 0.191 0.000 1.047 545 V CA 1.877 64.255 62.300 0.130 0.000 1.035 545 V CB -0.605 31.315 31.823 0.161 0.000 0.658 545 V HN 0.482 nan 8.190 nan 0.000 0.452 546 L N 1.425 122.675 121.223 0.046 0.000 2.131 546 L HA -0.023 4.319 4.340 0.004 0.000 0.210 546 L C 2.329 179.117 176.870 -0.136 0.000 1.092 546 L CA 2.234 56.913 54.840 -0.267 0.000 0.759 546 L CB -1.281 40.343 42.059 -0.726 0.000 0.903 546 L HN 0.284 nan 8.230 nan 0.000 0.435 547 G N -1.077 107.671 108.800 -0.087 0.000 2.446 547 G HA2 -0.246 3.717 3.960 0.004 0.000 0.217 547 G HA3 -0.246 3.717 3.960 0.004 0.000 0.217 547 G C 1.529 176.433 174.900 0.007 0.000 1.168 547 G CA 0.600 45.667 45.100 -0.055 0.000 0.771 547 G HN 0.567 nan 8.290 nan 0.000 0.551 548 G N -0.114 108.758 108.800 0.120 0.000 2.422 548 G HA2 -0.196 3.766 3.960 0.004 0.000 0.218 548 G HA3 -0.196 3.766 3.960 0.004 0.000 0.218 548 G C 1.801 176.710 174.900 0.015 0.000 1.140 548 G CA 1.298 46.504 45.100 0.177 0.000 0.775 548 G HN 0.474 nan 8.290 nan 0.000 0.545 549 C N 0.757 120.132 119.300 0.124 0.000 2.457 549 C HA 0.297 4.759 4.460 0.004 0.000 0.278 549 C C 3.473 178.429 174.990 -0.058 0.000 1.309 549 C CA 0.563 59.613 59.018 0.052 0.000 1.735 549 C CB -0.760 27.085 27.740 0.175 0.000 1.992 549 C HN 0.551 nan 8.230 nan 0.000 0.493 550 A N 0.673 123.450 122.820 -0.071 0.000 1.930 550 A HA 0.142 4.464 4.320 0.004 0.000 0.217 550 A C 2.345 179.878 177.584 -0.085 0.000 1.175 550 A CA 1.830 53.816 52.037 -0.085 0.000 0.627 550 A CB -0.743 18.198 19.000 -0.097 0.000 0.815 550 A HN 0.538 nan 8.150 nan 0.000 0.443 551 A N -0.082 122.682 122.820 -0.094 0.000 1.930 551 A HA -0.018 4.304 4.320 0.004 0.000 0.217 551 A C 2.077 179.578 177.584 -0.139 0.000 1.175 551 A CA 1.393 53.369 52.037 -0.103 0.000 0.627 551 A CB -0.533 18.410 19.000 -0.095 0.000 0.815 551 A HN 0.487 nan 8.150 nan 0.000 0.443 552 I N -0.339 120.109 120.570 -0.203 0.000 2.252 552 I HA -0.233 3.939 4.170 0.004 0.000 0.245 552 I C 2.414 178.453 176.117 -0.129 0.000 1.102 552 I CA 1.398 62.566 61.300 -0.220 0.000 1.385 552 I CB -0.429 37.369 38.000 -0.336 0.000 1.064 552 I HN 0.429 nan 8.210 nan 0.000 0.414 553 E N 0.934 121.076 120.200 -0.096 0.000 2.077 553 E HA -0.272 4.080 4.350 0.004 0.000 0.193 553 E C 2.113 178.686 176.600 -0.044 0.000 0.989 553 E CA 1.082 57.449 56.400 -0.054 0.000 0.800 553 E CB -0.128 29.547 29.700 -0.041 0.000 0.746 553 E HN 0.398 nan 8.360 nan 0.000 0.452 554 K N 1.198 121.565 120.400 -0.055 0.000 1.985 554 K HA -0.164 4.158 4.320 0.004 0.000 0.210 554 K C 2.270 178.845 176.600 -0.041 0.000 1.047 554 K CA 1.340 57.600 56.287 -0.044 0.000 0.932 554 K CB -0.199 32.273 32.500 -0.048 0.000 0.716 554 K HN 0.078 nan 8.250 nan 0.000 0.439 555 A N 1.155 123.939 122.820 -0.061 0.000 1.908 555 A HA -0.164 4.158 4.320 0.004 0.000 0.218 555 A C 2.361 179.927 177.584 -0.031 0.000 1.181 555 A CA 2.153 54.155 52.037 -0.059 0.000 0.627 555 A CB -0.914 18.024 19.000 -0.103 0.000 0.818 555 A HN 0.563 nan 8.150 nan 0.000 0.445 556 A N -0.336 122.467 122.820 -0.029 0.000 1.883 556 A HA -0.201 4.121 4.320 0.004 0.000 0.217 556 A C 2.133 179.755 177.584 0.063 0.000 1.186 556 A CA 2.148 54.206 52.037 0.035 0.000 0.624 556 A CB -0.501 18.512 19.000 0.023 0.000 0.822 556 A HN 0.571 nan 8.150 nan 0.000 0.444 557 K N -0.359 120.052 120.400 0.019 0.000 2.032 557 K HA -0.118 4.204 4.320 0.004 0.000 0.209 557 K C 2.135 178.727 176.600 -0.015 0.000 1.048 557 K CA 1.338 57.626 56.287 0.001 0.000 0.927 557 K CB -0.391 32.103 32.500 -0.009 0.000 0.712 557 K HN 0.365 nan 8.250 nan 0.000 0.441 558 A N 0.691 123.504 122.820 -0.011 0.000 1.997 558 A HA -0.176 4.147 4.320 0.004 0.000 0.221 558 A C 2.114 179.691 177.584 -0.012 0.000 1.172 558 A CA 2.103 54.133 52.037 -0.013 0.000 0.645 558 A CB -0.707 18.287 19.000 -0.011 0.000 0.813 558 A HN 0.488 nan 8.150 nan 0.000 0.454 559 A N -1.769 121.055 122.820 0.007 0.000 2.275 559 A HA 0.452 4.774 4.320 0.004 0.000 0.212 559 A C 1.470 178.955 177.584 -0.164 0.000 1.201 559 A CA 0.976 53.022 52.037 0.015 0.000 0.843 559 A CB -0.936 18.160 19.000 0.161 0.000 0.873 559 A HN 2.011 nan 8.150 nan 0.000 0.492 560 G N 0.315 109.007 108.800 -0.180 0.000 2.368 560 G HA2 -0.163 3.799 3.960 0.004 0.000 0.290 560 G HA3 -0.163 3.799 3.960 0.004 0.000 0.290 560 G C -0.371 174.202 174.900 -0.545 0.000 1.098 560 G CA 0.177 45.097 45.100 -0.300 0.000 1.073 560 G HN 0.685 nan 8.290 nan 0.000 0.511 561 H N 0.155 119.229 119.070 0.006 0.000 2.596 561 H HA 0.133 4.691 4.556 0.004 0.000 0.240 561 H C 0.139 175.465 175.328 -0.002 0.000 1.406 561 H CA -0.909 55.143 56.048 0.007 0.000 1.504 561 H CB 0.170 29.938 29.762 0.010 0.000 1.688 561 H HN 0.348 nan 8.280 nan 0.000 0.546 562 N N 2.829 121.575 118.700 0.076 0.000 2.411 562 N HA 0.010 4.753 4.740 0.004 0.000 0.282 562 N C 0.103 175.644 175.510 0.051 0.000 1.322 562 N CA 0.777 53.855 53.050 0.046 0.000 0.943 562 N CB 1.058 39.560 38.487 0.025 0.000 1.266 562 N HN 0.578 nan 8.380 nan 0.000 0.486 563 I N 0.813 121.407 120.570 0.040 0.000 2.894 563 I HA 0.285 4.457 4.170 0.004 0.000 0.302 563 I C -0.472 175.654 176.117 0.015 0.000 1.188 563 I CA -0.686 60.632 61.300 0.029 0.000 1.014 563 I CB 2.300 40.315 38.000 0.025 0.000 1.242 563 I HN 0.285 nan 8.210 nan 0.000 0.430 564 T N 3.352 117.915 114.554 0.016 0.000 2.797 564 T HA 0.583 4.935 4.350 0.004 0.000 0.279 564 T C -0.598 174.117 174.700 0.026 0.000 0.991 564 T CA -0.630 61.479 62.100 0.016 0.000 0.979 564 T CB 1.422 70.302 68.868 0.020 0.000 0.943 564 T HN 0.242 nan 8.240 nan 0.000 0.444 565 V N 5.814 125.745 119.914 0.029 0.000 2.408 565 V HA 0.304 4.426 4.120 0.004 0.000 0.267 565 V C -1.933 174.225 176.094 0.106 0.000 1.047 565 V CA -1.662 60.674 62.300 0.060 0.000 0.937 565 V CB 0.415 32.264 31.823 0.043 0.000 0.999 565 V HN 0.828 nan 8.190 nan 0.000 0.472 566 P HA 0.100 nan 4.420 nan 0.000 0.266 566 P C -0.962 176.453 177.300 0.192 0.000 1.193 566 P CA 0.236 63.401 63.100 0.109 0.000 0.770 566 P CB 0.211 31.943 31.700 0.053 0.000 0.836 567 F N 1.473 121.422 119.950 -0.002 0.000 2.581 567 F HA 0.464 4.993 4.527 0.004 0.000 0.311 567 F C -1.043 174.737 175.800 -0.033 0.000 1.113 567 F CA -0.244 57.748 58.000 -0.013 0.000 0.935 567 F CB 1.710 40.702 39.000 -0.013 0.000 1.232 567 F HN 0.068 nan 8.300 nan 0.000 0.445 568 T N 7.486 121.461 114.554 -0.965 0.000 2.934 568 T HA 0.371 4.723 4.350 0.004 0.000 0.328 568 T C -2.708 171.436 174.700 -0.926 0.000 1.068 568 T CA -1.104 60.581 62.100 -0.692 0.000 1.018 568 T CB 1.276 69.908 68.868 -0.393 0.000 1.009 568 T HN 0.346 nan 8.240 nan 0.000 0.471 569 P HA 0.444 nan 4.420 nan 0.000 0.273 569 P C 0.786 177.974 177.300 -0.186 0.000 1.250 569 P CA 0.123 63.032 63.100 -0.317 0.000 0.793 569 P CB 0.889 32.608 31.700 0.032 0.000 1.011 570 G N -0.136 108.615 108.800 -0.083 0.000 2.551 570 G HA2 -0.129 3.833 3.960 0.004 0.000 0.186 570 G HA3 -0.129 3.833 3.960 0.004 0.000 0.186 570 G C 0.234 175.115 174.900 -0.032 0.000 1.002 570 G CA -0.540 44.529 45.100 -0.052 0.000 0.723 570 G HN 0.526 nan 8.290 nan 0.000 0.481 571 R N 0.947 121.422 120.500 -0.042 0.000 2.694 571 R HA 0.540 4.882 4.340 0.004 0.000 0.268 571 R C -0.128 176.187 176.300 0.026 0.000 1.061 571 R CA 0.845 56.936 56.100 -0.015 0.000 1.133 571 R CB 0.458 30.744 30.300 -0.023 0.000 1.020 571 R HN 0.184 nan 8.270 nan 0.000 0.475 572 T N 0.402 114.977 114.554 0.036 0.000 2.926 572 T HA 0.236 4.589 4.350 0.004 0.000 0.289 572 T C -0.927 173.812 174.700 0.066 0.000 1.054 572 T CA -0.908 61.224 62.100 0.054 0.000 1.015 572 T CB 1.474 70.368 68.868 0.042 0.000 1.167 572 T HN 0.402 nan 8.240 nan 0.000 0.526 573 D N 1.382 121.826 120.400 0.074 0.000 2.233 573 D HA 0.565 5.207 4.640 0.004 0.000 0.240 573 D C -0.315 176.004 176.300 0.032 0.000 1.074 573 D CA -0.264 53.780 54.000 0.073 0.000 0.838 573 D CB 1.692 42.545 40.800 0.088 0.000 1.124 573 D HN 0.627 nan 8.370 nan 0.000 0.475 574 A N 1.767 124.594 122.820 0.012 0.000 2.282 574 A HA 0.598 4.920 4.320 0.004 0.000 0.319 574 A C 0.432 177.994 177.584 -0.037 0.000 1.121 574 A CA -0.563 51.467 52.037 -0.011 0.000 0.836 574 A CB 0.801 19.791 19.000 -0.017 0.000 1.146 574 A HN 0.515 nan 8.150 nan 0.000 0.494 575 S N -0.013 115.665 115.700 -0.037 0.000 2.687 575 S HA 0.342 4.815 4.470 0.004 0.000 0.283 575 S C 0.805 175.368 174.600 -0.061 0.000 1.170 575 S CA -0.164 58.007 58.200 -0.049 0.000 1.008 575 S CB 1.326 64.507 63.200 -0.032 0.000 1.026 575 S HN 0.711 nan 8.310 nan 0.000 0.541 576 Q N 0.944 120.703 119.800 -0.068 0.000 2.112 576 Q HA -0.179 4.164 4.340 0.004 0.000 0.206 576 Q C 1.575 177.552 176.000 -0.040 0.000 0.987 576 Q CA 2.429 58.190 55.803 -0.070 0.000 0.858 576 Q CB -0.784 27.916 28.738 -0.062 0.000 0.905 576 Q HN 0.899 nan 8.270 nan 0.000 0.420 577 E N 0.096 120.282 120.200 -0.023 0.000 2.160 577 E HA -0.202 4.150 4.350 0.004 0.000 0.195 577 E C 1.409 178.013 176.600 0.008 0.000 0.991 577 E CA 1.501 57.899 56.400 -0.003 0.000 0.810 577 E CB -0.114 29.584 29.700 -0.002 0.000 0.742 577 E HN 0.581 nan 8.360 nan 0.000 0.466 578 Q N -0.005 119.794 119.800 -0.002 0.000 2.280 578 Q HA 0.136 4.478 4.340 0.004 0.000 0.202 578 Q C -0.385 175.633 176.000 0.029 0.000 0.903 578 Q CA 0.321 56.131 55.803 0.012 0.000 0.948 578 Q CB 0.655 29.393 28.738 0.000 0.000 1.058 578 Q HN -0.039 nan 8.270 nan 0.000 0.493 579 T N 1.254 115.815 114.554 0.012 0.000 2.892 579 T HA 0.055 4.407 4.350 0.004 0.000 0.311 579 T C -0.990 173.758 174.700 0.080 0.000 1.033 579 T CA -0.691 61.410 62.100 0.001 0.000 0.991 579 T CB 1.066 69.816 68.868 -0.197 0.000 0.981 579 T HN 0.049 nan 8.240 nan 0.000 0.457 580 D N 4.047 124.588 120.400 0.235 0.000 2.367 580 D HA 0.044 4.686 4.640 0.004 0.000 0.255 580 D C 1.432 177.918 176.300 0.310 0.000 1.300 580 D CA -0.053 54.098 54.000 0.252 0.000 0.959 580 D CB 0.734 41.700 40.800 0.275 0.000 1.064 580 D HN 0.199 nan 8.370 nan 0.000 0.509 581 V N 4.193 124.220 119.914 0.188 0.000 2.250 581 V HA -0.304 3.819 4.120 0.004 0.000 0.250 581 V C 2.412 178.654 176.094 0.247 0.000 1.060 581 V CA 2.116 64.528 62.300 0.186 0.000 1.030 581 V CB -0.570 31.320 31.823 0.110 0.000 0.643 581 V HN 0.538 nan 8.190 nan 0.000 0.445 582 E N 0.269 120.587 120.200 0.197 0.000 2.058 582 E HA -0.229 4.124 4.350 0.004 0.000 0.194 582 E C 2.442 179.160 176.600 0.197 0.000 0.997 582 E CA 1.856 58.364 56.400 0.180 0.000 0.801 582 E CB -0.615 29.171 29.700 0.143 0.000 0.746 582 E HN 0.481 nan 8.360 nan 0.000 0.450 583 S N -1.422 114.406 115.700 0.214 0.000 2.382 583 S HA -0.104 4.368 4.470 0.004 0.000 0.228 583 S C 1.523 176.192 174.600 0.114 0.000 1.027 583 S CA 0.972 59.267 58.200 0.158 0.000 0.991 583 S CB -0.451 62.846 63.200 0.160 0.000 0.823 583 S HN 0.368 nan 8.310 nan 0.000 0.469 584 F N 1.725 121.777 119.950 0.170 0.000 2.802 584 F HA 0.279 4.809 4.527 0.004 0.000 0.300 584 F C 2.157 178.139 175.800 0.304 0.000 1.168 584 F CA 0.292 58.427 58.000 0.227 0.000 1.433 584 F CB -0.459 38.665 39.000 0.206 0.000 1.115 584 F HN 0.254 nan 8.300 nan 0.000 0.582 585 A N 0.184 123.210 122.820 0.342 0.000 1.908 585 A HA -0.208 4.114 4.320 0.004 0.000 0.218 585 A C 2.346 179.993 177.584 0.105 0.000 1.181 585 A CA 2.164 54.358 52.037 0.262 0.000 0.627 585 A CB -1.330 17.780 19.000 0.182 0.000 0.818 585 A HN 0.274 nan 8.150 nan 0.000 0.445 586 V N -2.155 117.787 119.914 0.047 0.000 2.867 586 V HA -0.095 4.028 4.120 0.004 0.000 0.260 586 V C 1.917 177.920 176.094 -0.151 0.000 1.099 586 V CA 1.698 63.952 62.300 -0.077 0.000 1.122 586 V CB -0.937 30.844 31.823 -0.071 0.000 0.708 586 V HN 0.458 nan 8.190 nan 0.000 0.490 587 L N 0.276 121.470 121.223 -0.048 0.000 2.599 587 L HA 0.225 4.567 4.340 0.004 0.000 0.230 587 L C 1.321 177.971 176.870 -0.367 0.000 1.141 587 L CA 0.312 55.119 54.840 -0.055 0.000 0.877 587 L CB -0.293 41.890 42.059 0.207 0.000 1.009 587 L HN 0.458 nan 8.230 nan 0.000 0.447 588 E N 2.401 122.147 120.200 -0.758 0.000 2.324 588 E HA 0.120 4.472 4.350 0.004 0.000 0.271 588 E C -2.137 174.019 176.600 -0.739 0.000 1.028 588 E CA -1.889 53.589 56.400 -1.536 0.000 0.890 588 E CB 0.841 29.622 29.700 -1.532 0.000 1.004 588 E HN -0.024 nan 8.360 nan 0.000 0.431 589 P HA 0.056 nan 4.420 nan 0.000 0.271 589 P C -0.351 176.904 177.300 -0.075 0.000 1.233 589 P CA 0.088 63.066 63.100 -0.203 0.000 0.764 589 P CB 0.668 32.330 31.700 -0.063 0.000 0.825 590 K N 1.622 122.004 120.400 -0.031 0.000 2.393 590 K HA 0.377 4.700 4.320 0.004 0.000 0.193 590 K C 0.238 176.880 176.600 0.071 0.000 1.026 590 K CA 0.171 56.480 56.287 0.036 0.000 1.064 590 K CB 0.435 32.921 32.500 -0.023 0.000 0.833 590 K HN 0.529 nan 8.250 nan 0.000 0.521 591 A N 1.292 124.184 122.820 0.121 0.000 2.582 591 A HA 0.371 4.694 4.320 0.004 0.000 0.297 591 A C -1.967 175.734 177.584 0.196 0.000 1.059 591 A CA -0.730 51.375 52.037 0.113 0.000 0.705 591 A CB 1.457 20.459 19.000 0.002 0.000 1.279 591 A HN 0.050 nan 8.150 nan 0.000 0.404 592 D N 1.170 121.719 120.400 0.249 0.000 2.474 592 D HA 0.397 5.039 4.640 0.004 0.000 0.234 592 D C 1.014 177.450 176.300 0.226 0.000 1.323 592 D CA 0.563 54.744 54.000 0.301 0.000 0.915 592 D CB 0.565 41.600 40.800 0.391 0.000 1.487 592 D HN 0.741 nan 8.370 nan 0.000 0.524 593 G N 0.962 109.794 108.800 0.055 0.000 2.535 593 G HA2 -0.188 3.774 3.960 0.004 0.000 0.218 593 G HA3 -0.188 3.774 3.960 0.004 0.000 0.218 593 G C 1.138 175.975 174.900 -0.104 0.000 1.122 593 G CA 0.295 45.357 45.100 -0.063 0.000 0.769 593 G HN 0.488 nan 8.290 nan 0.000 0.549 594 F N -0.093 119.904 119.950 0.080 0.000 2.365 594 F HA 0.158 4.687 4.527 0.004 0.000 0.300 594 F C 2.610 178.307 175.800 -0.171 0.000 1.090 594 F CA 0.721 58.665 58.000 -0.093 0.000 1.408 594 F CB 0.281 39.228 39.000 -0.088 0.000 1.060 594 F HN 0.008 nan 8.300 nan 0.000 0.534 595 R N -0.360 120.243 120.500 0.170 0.000 2.543 595 R HA 0.093 4.435 4.340 0.004 0.000 0.323 595 R C -0.040 176.370 176.300 0.183 0.000 1.002 595 R CA -0.144 56.046 56.100 0.150 0.000 1.106 595 R CB 0.070 30.524 30.300 0.258 0.000 1.280 595 R HN -0.033 nan 8.270 nan 0.000 0.549 596 N N 1.045 119.818 118.700 0.122 0.000 2.725 596 N HA -0.277 4.465 4.740 0.004 0.000 0.251 596 N C -1.602 174.016 175.510 0.180 0.000 1.031 596 N CA 0.907 54.024 53.050 0.111 0.000 0.720 596 N CB -0.958 37.584 38.487 0.091 0.000 0.930 596 N HN 0.338 nan 8.380 nan 0.000 0.543 597 Y N 0.310 120.617 120.300 0.011 0.000 2.341 597 Y HA 0.644 5.197 4.550 0.004 0.000 0.338 597 Y C -0.758 175.084 175.900 -0.097 0.000 0.965 597 Y CA -0.897 57.132 58.100 -0.118 0.000 1.108 597 Y CB 1.023 39.336 38.460 -0.245 0.000 1.180 597 Y HN 0.170 nan 8.280 nan 0.000 0.458 598 L N 7.107 127.835 121.223 -0.825 0.000 2.415 598 L HA 0.566 4.908 4.340 0.004 0.000 0.268 598 L C 0.237 176.613 176.870 -0.823 0.000 0.984 598 L CA -0.431 54.029 54.840 -0.633 0.000 0.853 598 L CB 0.997 42.895 42.059 -0.269 0.000 1.215 598 L HN 0.942 nan 8.230 nan 0.000 0.419 599 G N 3.475 111.806 108.800 -0.783 0.000 2.510 599 G HA2 0.293 4.255 3.960 0.004 0.000 0.280 599 G HA3 0.293 4.255 3.960 0.004 0.000 0.280 599 G C -0.630 174.150 174.900 -0.200 0.000 1.386 599 G CA -0.514 44.327 45.100 -0.431 0.000 1.047 599 G HN 0.640 nan 8.290 nan 0.000 0.527 600 K N -2.289 118.054 120.400 -0.095 0.000 2.123 600 K HA 0.576 4.899 4.320 0.004 0.000 0.248 600 K C 0.427 177.001 176.600 -0.042 0.000 0.969 600 K CA -0.092 56.159 56.287 -0.059 0.000 0.882 600 K CB 1.473 33.957 32.500 -0.027 0.000 1.080 600 K HN 1.516 nan 8.250 nan 0.000 0.441 601 G N 1.492 110.268 108.800 -0.040 0.000 2.256 601 G HA2 -0.211 3.751 3.960 0.004 0.000 0.272 601 G HA3 -0.211 3.751 3.960 0.004 0.000 0.272 601 G C -0.958 173.919 174.900 -0.038 0.000 1.076 601 G CA -0.319 44.761 45.100 -0.034 0.000 0.882 601 G HN 0.700 nan 8.290 nan 0.000 0.497 602 N N -0.220 118.448 118.700 -0.053 0.000 2.487 602 N HA 0.444 5.186 4.740 0.004 0.000 0.292 602 N C -0.912 174.547 175.510 -0.085 0.000 1.108 602 N CA -1.210 51.806 53.050 -0.057 0.000 0.956 602 N CB 1.635 40.087 38.487 -0.059 0.000 1.176 602 N HN -0.027 nan 8.380 nan 0.000 0.484 603 P HA 0.034 nan 4.420 nan 0.000 0.217 603 P C 0.008 177.192 177.300 -0.194 0.000 1.150 603 P CA 1.248 64.249 63.100 -0.166 0.000 0.832 603 P CB 0.473 32.037 31.700 -0.227 0.000 0.787 604 L N -3.168 117.941 121.223 -0.190 0.000 2.250 604 L HA 0.508 4.850 4.340 0.004 0.000 0.252 604 L C -2.527 174.262 176.870 -0.136 0.000 1.054 604 L CA -2.764 51.919 54.840 -0.262 0.000 0.856 604 L CB 1.120 42.911 42.059 -0.446 0.000 1.443 604 L HN -0.428 nan 8.230 nan 0.000 0.427 605 P HA 0.107 nan 4.420 nan 0.000 0.272 605 P C 0.035 177.419 177.300 0.139 0.000 1.230 605 P CA -0.097 63.040 63.100 0.062 0.000 0.788 605 P CB 0.742 32.533 31.700 0.151 0.000 0.949 606 A N 2.524 125.388 122.820 0.073 0.000 1.915 606 A HA -0.293 4.029 4.320 0.004 0.000 0.220 606 A C 1.910 179.511 177.584 0.028 0.000 1.198 606 A CA 2.263 54.322 52.037 0.036 0.000 0.647 606 A CB -1.278 17.732 19.000 0.017 0.000 0.825 606 A HN 0.735 nan 8.150 nan 0.000 0.456 607 E N -1.002 119.207 120.200 0.016 0.000 2.110 607 E HA -0.242 4.110 4.350 0.004 0.000 0.193 607 E C 1.838 178.350 176.600 -0.146 0.000 0.988 607 E CA 1.687 58.011 56.400 -0.127 0.000 0.804 607 E CB -0.729 28.818 29.700 -0.255 0.000 0.745 607 E HN 0.735 nan 8.360 nan 0.000 0.458 608 Y N 0.812 121.059 120.300 -0.089 0.000 2.242 608 Y HA -0.047 4.505 4.550 0.004 0.000 0.291 608 Y C 2.647 178.501 175.900 -0.077 0.000 1.137 608 Y CA 1.142 59.191 58.100 -0.084 0.000 1.181 608 Y CB -0.306 38.105 38.460 -0.080 0.000 0.989 608 Y HN -0.031 nan 8.280 nan 0.000 0.527 609 M N -0.870 118.792 119.600 0.103 0.000 2.296 609 M HA -0.116 4.366 4.480 0.004 0.000 0.265 609 M C 2.169 178.474 176.300 0.009 0.000 1.064 609 M CA 1.071 56.393 55.300 0.036 0.000 1.109 609 M CB -1.131 31.478 32.600 0.016 0.000 1.396 609 M HN 0.394 nan 8.290 nan 0.000 0.430 610 L N 0.565 121.765 121.223 -0.039 0.000 2.027 610 L HA -0.079 4.263 4.340 0.004 0.000 0.206 610 L C 2.146 178.979 176.870 -0.062 0.000 1.074 610 L CA 1.578 56.352 54.840 -0.110 0.000 0.745 610 L CB -0.699 41.248 42.059 -0.187 0.000 0.898 610 L HN 0.181 nan 8.230 nan 0.000 0.433 611 L N -0.358 120.828 121.223 -0.061 0.000 2.083 611 L HA -0.231 4.111 4.340 0.004 0.000 0.209 611 L C 2.264 179.151 176.870 0.028 0.000 1.083 611 L CA 1.730 56.554 54.840 -0.027 0.000 0.752 611 L CB -0.657 41.358 42.059 -0.073 0.000 0.899 611 L HN 0.436 nan 8.230 nan 0.000 0.433 612 D N 0.052 120.469 120.400 0.028 0.000 2.117 612 D HA -0.243 4.399 4.640 0.004 0.000 0.198 612 D C 2.121 178.463 176.300 0.069 0.000 0.982 612 D CA 1.196 55.215 54.000 0.033 0.000 0.828 612 D CB 0.163 40.972 40.800 0.014 0.000 0.967 612 D HN -0.069 nan 8.370 nan 0.000 0.464 613 K N 0.442 120.908 120.400 0.110 0.000 2.025 613 K HA 0.036 4.358 4.320 0.004 0.000 0.207 613 K C 1.929 178.703 176.600 0.290 0.000 1.049 613 K CA 1.554 57.962 56.287 0.202 0.000 0.933 613 K CB -0.812 31.859 32.500 0.285 0.000 0.714 613 K HN 0.125 nan 8.250 nan 0.000 0.438 614 A N 0.789 123.811 122.820 0.336 0.000 1.908 614 A HA -0.267 4.056 4.320 0.004 0.000 0.218 614 A C 2.113 179.822 177.584 0.208 0.000 1.181 614 A CA 2.232 54.493 52.037 0.373 0.000 0.627 614 A CB -1.121 18.064 19.000 0.309 0.000 0.818 614 A HN 0.607 nan 8.150 nan 0.000 0.445 615 N N 0.058 118.839 118.700 0.134 0.000 2.043 615 N HA -0.127 4.615 4.740 0.004 0.000 0.193 615 N C 1.544 177.105 175.510 0.085 0.000 1.037 615 N CA 1.969 55.071 53.050 0.086 0.000 0.851 615 N CB -0.440 38.073 38.487 0.044 0.000 1.027 615 N HN 0.451 nan 8.380 nan 0.000 0.422 616 L N -0.032 121.235 121.223 0.073 0.000 2.127 616 L HA -0.122 4.221 4.340 0.004 0.000 0.211 616 L C 1.746 178.668 176.870 0.088 0.000 1.089 616 L CA 0.744 55.609 54.840 0.042 0.000 0.757 616 L CB -0.378 41.685 42.059 0.008 0.000 0.899 616 L HN 0.288 nan 8.230 nan 0.000 0.434 617 L N -0.320 120.978 121.223 0.125 0.000 2.591 617 L HA 0.012 4.354 4.340 0.004 0.000 0.228 617 L C 1.176 178.123 176.870 0.128 0.000 1.133 617 L CA 0.587 55.505 54.840 0.129 0.000 0.880 617 L CB -0.606 41.475 42.059 0.035 0.000 1.033 617 L HN 0.523 nan 8.230 nan 0.000 0.450 618 T N -2.891 111.744 114.554 0.134 0.000 4.358 618 T HA -0.237 4.115 4.350 0.004 0.000 0.326 618 T C 0.009 174.766 174.700 0.095 0.000 0.793 618 T CA 0.537 62.708 62.100 0.119 0.000 1.973 618 T CB -2.686 66.263 68.868 0.135 0.000 1.915 618 T HN 0.194 nan 8.240 nan 0.000 0.920 619 L N 1.574 122.864 121.223 0.112 0.000 2.399 619 L HA 0.683 5.025 4.340 0.004 0.000 0.266 619 L C 1.252 178.203 176.870 0.135 0.000 1.114 619 L CA -0.489 54.423 54.840 0.119 0.000 0.804 619 L CB 1.386 43.546 42.059 0.168 0.000 1.146 619 L HN 0.566 nan 8.230 nan 0.000 0.451 620 S N 0.562 116.342 115.700 0.133 0.000 2.713 620 S HA 0.517 4.990 4.470 0.004 0.000 0.283 620 S C 0.932 175.631 174.600 0.165 0.000 1.161 620 S CA -0.226 58.059 58.200 0.142 0.000 0.999 620 S CB 1.613 64.892 63.200 0.132 0.000 1.039 620 S HN 0.682 nan 8.310 nan 0.000 0.548 621 A N 1.090 124.005 122.820 0.159 0.000 1.892 621 A HA 0.037 4.359 4.320 0.004 0.000 0.218 621 A C -0.474 177.245 177.584 0.224 0.000 1.188 621 A CA 1.786 53.927 52.037 0.173 0.000 0.631 621 A CB -2.264 16.821 19.000 0.141 0.000 0.822 621 A HN 0.727 nan 8.150 nan 0.000 0.447 622 P HA -0.147 nan 4.420 nan 0.000 0.215 622 P C 1.172 178.595 177.300 0.205 0.000 1.157 622 P CA 1.524 64.772 63.100 0.247 0.000 0.868 622 P CB -0.115 31.721 31.700 0.226 0.000 0.788 623 E N -0.723 119.577 120.200 0.167 0.000 2.085 623 E HA -0.209 4.144 4.350 0.004 0.000 0.194 623 E C 2.033 178.745 176.600 0.188 0.000 0.994 623 E CA 1.142 57.618 56.400 0.127 0.000 0.801 623 E CB -0.625 29.133 29.700 0.097 0.000 0.743 623 E HN 0.245 nan 8.360 nan 0.000 0.453 624 M N 0.901 120.669 119.600 0.279 0.000 2.117 624 M HA -0.174 4.309 4.480 0.004 0.000 0.262 624 M C 2.010 178.552 176.300 0.404 0.000 1.065 624 M CA 1.652 57.224 55.300 0.453 0.000 1.114 624 M CB -0.153 32.709 32.600 0.436 0.000 1.361 624 M HN -0.014 nan 8.290 nan 0.000 0.408 625 T N 0.275 115.035 114.554 0.344 0.000 2.674 625 T HA -0.162 4.191 4.350 0.004 0.000 0.265 625 T C 1.735 176.512 174.700 0.129 0.000 1.039 625 T CA 1.772 64.025 62.100 0.255 0.000 1.150 625 T CB -0.591 68.510 68.868 0.390 0.000 0.864 625 T HN 0.352 nan 8.240 nan 0.000 0.427 626 V N 1.159 121.120 119.914 0.079 0.000 2.332 626 V HA -0.116 4.006 4.120 0.004 0.000 0.248 626 V C 2.346 178.655 176.094 0.358 0.000 1.055 626 V CA 1.425 63.788 62.300 0.105 0.000 1.038 626 V CB -0.474 31.260 31.823 -0.148 0.000 0.651 626 V HN 0.301 nan 8.190 nan 0.000 0.450 627 L N -0.562 120.804 121.223 0.239 0.000 2.017 627 L HA -0.099 4.243 4.340 0.004 0.000 0.208 627 L C 2.473 179.432 176.870 0.149 0.000 1.073 627 L CA 1.918 56.899 54.840 0.235 0.000 0.745 627 L CB -0.953 41.147 42.059 0.069 0.000 0.894 627 L HN 0.194 nan 8.230 nan 0.000 0.432 628 V N -0.358 119.572 119.914 0.027 0.000 2.287 628 V HA -0.257 3.865 4.120 0.004 0.000 0.248 628 V C 2.544 178.225 176.094 -0.688 0.000 1.053 628 V CA 1.942 64.052 62.300 -0.316 0.000 1.027 628 V CB -1.438 30.019 31.823 -0.610 0.000 0.646 628 V HN 0.583 nan 8.190 nan 0.000 0.447 629 G N -0.355 107.961 108.800 -0.807 0.000 2.418 629 G HA2 -0.137 3.825 3.960 0.004 0.000 0.217 629 G HA3 -0.137 3.825 3.960 0.004 0.000 0.217 629 G C 1.595 176.212 174.900 -0.472 0.000 1.158 629 G CA 0.968 45.389 45.100 -1.131 0.000 0.771 629 G HN 0.595 nan 8.290 nan 0.000 0.545 630 G N 0.979 109.737 108.800 -0.069 0.000 2.414 630 G HA2 -0.137 3.825 3.960 0.004 0.000 0.215 630 G HA3 -0.137 3.825 3.960 0.004 0.000 0.215 630 G C 1.803 176.531 174.900 -0.287 0.000 1.188 630 G CA 0.697 45.634 45.100 -0.272 0.000 0.783 630 G HN 0.396 nan 8.290 nan 0.000 0.537 631 L N -0.013 121.139 121.223 -0.118 0.000 2.081 631 L HA -0.119 4.223 4.340 0.004 0.000 0.212 631 L C 3.244 179.991 176.870 -0.205 0.000 1.080 631 L CA 0.919 55.671 54.840 -0.147 0.000 0.754 631 L CB -0.358 41.572 42.059 -0.214 0.000 0.893 631 L HN 0.114 nan 8.230 nan 0.000 0.433 632 R N 0.088 120.405 120.500 -0.304 0.000 2.070 632 R HA -0.124 4.218 4.340 0.004 0.000 0.232 632 R C 2.254 178.433 176.300 -0.202 0.000 1.138 632 R CA 1.858 57.785 56.100 -0.289 0.000 0.936 632 R CB -1.106 28.927 30.300 -0.444 0.000 0.839 632 R HN 0.429 nan 8.270 nan 0.000 0.429 633 V N -0.799 118.990 119.914 -0.209 0.000 2.913 633 V HA -0.086 4.037 4.120 0.004 0.000 0.260 633 V C 2.139 178.164 176.094 -0.115 0.000 1.098 633 V CA 1.410 63.629 62.300 -0.136 0.000 1.121 633 V CB -0.723 31.026 31.823 -0.122 0.000 0.714 633 V HN 0.124 nan 8.190 nan 0.000 0.487 634 L N 1.190 122.325 121.223 -0.146 0.000 2.558 634 L HA 0.416 4.758 4.340 0.004 0.000 0.225 634 L C 1.810 178.635 176.870 -0.075 0.000 1.128 634 L CA 0.751 55.516 54.840 -0.125 0.000 0.868 634 L CB -0.519 41.442 42.059 -0.164 0.000 1.006 634 L HN 0.624 nan 8.230 nan 0.000 0.454 635 G N 0.148 108.908 108.800 -0.067 0.000 2.182 635 G HA2 -0.284 3.678 3.960 0.004 0.000 0.248 635 G HA3 -0.284 3.678 3.960 0.004 0.000 0.248 635 G C 0.709 175.604 174.900 -0.008 0.000 1.042 635 G CA 0.248 45.329 45.100 -0.031 0.000 0.775 635 G HN 0.422 nan 8.290 nan 0.000 0.501 636 A N -0.679 122.129 122.820 -0.019 0.000 2.251 636 A HA 0.372 4.694 4.320 0.004 0.000 0.209 636 A C 1.160 178.776 177.584 0.053 0.000 1.187 636 A CA 0.458 52.508 52.037 0.022 0.000 0.823 636 A CB -0.063 18.928 19.000 -0.014 0.000 0.846 636 A HN 0.460 nan 8.150 nan 0.000 0.486 637 N N 0.099 118.822 118.700 0.038 0.000 2.407 637 N HA 0.063 4.805 4.740 0.004 0.000 0.250 637 N C -0.308 175.303 175.510 0.168 0.000 1.236 637 N CA 0.092 53.199 53.050 0.095 0.000 0.879 637 N CB -0.057 38.468 38.487 0.062 0.000 1.088 637 N HN 0.415 nan 8.380 nan 0.000 0.450 638 Y N 2.595 122.959 120.300 0.107 0.000 2.721 638 Y HA -0.094 4.459 4.550 0.004 0.000 0.329 638 Y C 0.933 176.901 175.900 0.113 0.000 1.211 638 Y CA 0.409 58.586 58.100 0.128 0.000 1.512 638 Y CB 0.192 38.781 38.460 0.214 0.000 1.249 638 Y HN 0.695 nan 8.280 nan 0.000 0.549 639 K N 4.208 124.398 120.400 -0.350 0.000 3.130 639 K HA -0.344 3.978 4.320 0.004 0.000 0.282 639 K C 0.267 176.802 176.600 -0.109 0.000 1.145 639 K CA 1.082 57.169 56.287 -0.333 0.000 0.831 639 K CB -0.876 31.305 32.500 -0.532 0.000 1.226 639 K HN 0.984 nan 8.250 nan 0.000 0.478 640 R N -0.775 119.707 120.500 -0.030 0.000 3.627 640 R HA -0.208 4.134 4.340 0.004 0.000 0.281 640 R C 0.104 176.417 176.300 0.021 0.000 1.140 640 R CA 0.945 57.048 56.100 0.006 0.000 0.761 640 R CB -1.716 28.584 30.300 0.000 0.000 1.181 640 R HN 0.324 nan 8.270 nan 0.000 0.472 641 L N 0.203 121.449 121.223 0.040 0.000 2.483 641 L HA 0.038 4.380 4.340 0.004 0.000 0.275 641 L C -0.926 175.985 176.870 0.069 0.000 1.220 641 L CA -1.316 53.563 54.840 0.064 0.000 0.833 641 L CB 0.247 42.369 42.059 0.105 0.000 1.102 641 L HN -0.134 nan 8.230 nan 0.000 0.490 642 P HA 0.069 nan 4.420 nan 0.000 0.245 642 P C -0.169 177.208 177.300 0.128 0.000 1.212 642 P CA 0.378 63.545 63.100 0.111 0.000 0.774 642 P CB 0.170 31.951 31.700 0.136 0.000 0.999 643 L N -0.033 121.257 121.223 0.111 0.000 2.477 643 L HA 0.185 4.527 4.340 0.004 0.000 0.272 643 L C 1.626 178.462 176.870 -0.056 0.000 1.157 643 L CA 0.523 55.429 54.840 0.111 0.000 0.889 643 L CB -0.740 41.394 42.059 0.125 0.000 1.158 643 L HN 0.250 nan 8.230 nan 0.000 0.473 644 G N 2.685 111.339 108.800 -0.244 0.000 2.179 644 G HA2 -0.263 3.699 3.960 0.004 0.000 0.260 644 G HA3 -0.263 3.699 3.960 0.004 0.000 0.260 644 G C 0.316 174.590 174.900 -1.044 0.000 0.977 644 G CA 0.046 44.593 45.100 -0.921 0.000 0.641 644 G HN 0.438 nan 8.290 nan 0.000 0.533 645 V N 2.202 121.830 119.914 -0.476 0.000 1.984 645 V HA 0.289 4.411 4.120 0.004 0.000 0.272 645 V C 0.742 176.777 176.094 -0.098 0.000 1.706 645 V CA -0.028 62.138 62.300 -0.224 0.000 1.644 645 V CB -1.098 30.711 31.823 -0.024 0.000 1.509 645 V HN 0.349 nan 8.190 nan 0.000 0.511 646 F N 1.669 121.480 119.950 -0.232 0.000 2.662 646 F HA 0.358 4.887 4.527 0.004 0.000 0.365 646 F C 0.935 176.418 175.800 -0.528 0.000 1.222 646 F CA -0.024 57.444 58.000 -0.888 0.000 1.315 646 F CB 0.108 38.392 39.000 -1.192 0.000 1.711 646 F HN 0.337 nan 8.300 nan 0.000 0.651 647 T N -0.356 114.262 114.554 0.106 0.000 2.885 647 T HA 0.193 4.546 4.350 0.004 0.000 0.322 647 T C 0.294 175.169 174.700 0.292 0.000 1.387 647 T CA -0.399 61.806 62.100 0.175 0.000 1.041 647 T CB 1.919 70.821 68.868 0.055 0.000 1.287 647 T HN 0.337 nan 8.240 nan 0.000 0.491 648 E N 1.215 121.551 120.200 0.226 0.000 2.276 648 E HA 0.479 4.831 4.350 0.004 0.000 0.193 648 E C 0.928 177.587 176.600 0.099 0.000 0.983 648 E CA 0.516 57.014 56.400 0.164 0.000 0.861 648 E CB 0.259 30.038 29.700 0.130 0.000 0.817 648 E HN 0.759 nan 8.360 nan 0.000 0.485 649 A N 0.235 123.104 122.820 0.082 0.000 2.296 649 A HA 0.554 4.876 4.320 0.004 0.000 0.264 649 A C 0.041 177.647 177.584 0.037 0.000 1.097 649 A CA 0.078 52.145 52.037 0.049 0.000 0.811 649 A CB 0.475 19.499 19.000 0.040 0.000 1.072 649 A HN 0.190 nan 8.150 nan 0.000 0.495 650 S N -1.503 114.209 115.700 0.020 0.000 2.546 650 S HA 0.564 5.036 4.470 0.004 0.000 0.274 650 S C -0.205 174.391 174.600 -0.005 0.000 1.121 650 S CA 0.113 58.318 58.200 0.008 0.000 0.887 650 S CB 1.586 64.793 63.200 0.012 0.000 1.094 650 S HN 1.019 nan 8.310 nan 0.000 0.474 651 E N -0.541 119.648 120.200 -0.019 0.000 3.426 651 E HA -0.199 4.153 4.350 0.004 0.000 0.291 651 E C -0.219 176.360 176.600 -0.035 0.000 0.898 651 E CA 1.454 57.836 56.400 -0.030 0.000 0.970 651 E CB -1.278 28.409 29.700 -0.021 0.000 1.489 651 E HN 0.782 nan 8.360 nan 0.000 0.461 652 S N -0.285 115.399 115.700 -0.026 0.000 2.449 652 S HA 0.527 4.999 4.470 0.004 0.000 0.310 652 S C -0.813 173.775 174.600 -0.020 0.000 1.096 652 S CA -0.858 57.334 58.200 -0.014 0.000 1.095 652 S CB 0.984 64.190 63.200 0.010 0.000 1.007 652 S HN 0.249 nan 8.310 nan 0.000 0.474 653 L N 6.755 127.967 121.223 -0.020 0.000 2.356 653 L HA 0.454 4.796 4.340 0.004 0.000 0.282 653 L C 0.446 177.397 176.870 0.136 0.000 1.132 653 L CA 0.578 55.401 54.840 -0.029 0.000 0.923 653 L CB -0.191 41.784 42.059 -0.140 0.000 1.278 653 L HN 0.892 nan 8.230 nan 0.000 0.436 654 T N 0.165 114.816 114.554 0.161 0.000 2.773 654 T HA 0.426 4.778 4.350 0.004 0.000 0.278 654 T C 0.580 175.317 174.700 0.062 0.000 1.011 654 T CA -0.418 61.798 62.100 0.192 0.000 1.014 654 T CB 1.173 70.103 68.868 0.103 0.000 1.293 654 T HN 0.487 nan 8.240 nan 0.000 0.554 655 N N -0.433 118.230 118.700 -0.062 0.000 2.251 655 N HA 0.078 4.821 4.740 0.004 0.000 0.217 655 N C 0.160 175.631 175.510 -0.065 0.000 1.124 655 N CA -0.163 52.722 53.050 -0.276 0.000 0.843 655 N CB -0.197 38.193 38.487 -0.161 0.000 1.024 655 N HN 0.517 nan 8.380 nan 0.000 0.501 656 D N 0.901 121.258 120.400 -0.072 0.000 2.203 656 D HA -0.187 4.456 4.640 0.004 0.000 0.199 656 D C 1.207 177.415 176.300 -0.154 0.000 0.997 656 D CA 0.753 54.713 54.000 -0.066 0.000 0.863 656 D CB -0.304 40.477 40.800 -0.032 0.000 0.928 656 D HN 0.325 nan 8.370 nan 0.000 0.458 657 F N 0.522 120.210 119.950 -0.437 0.000 2.069 657 F HA -0.234 4.295 4.527 0.004 0.000 0.298 657 F C 1.936 177.436 175.800 -0.500 0.000 1.113 657 F CA 1.510 59.164 58.000 -0.577 0.000 1.214 657 F CB -0.465 37.928 39.000 -1.011 0.000 0.978 657 F HN -0.106 nan 8.300 nan 0.000 0.474 658 F N -0.561 119.338 119.950 -0.086 0.000 2.206 658 F HA -0.095 4.434 4.527 0.004 0.000 0.298 658 F C 2.276 177.990 175.800 -0.144 0.000 1.090 658 F CA 0.980 58.912 58.000 -0.114 0.000 1.323 658 F CB -1.371 37.627 39.000 -0.003 0.000 1.028 658 F HN -0.210 nan 8.300 nan 0.000 0.492 659 V N 0.536 120.476 119.914 0.044 0.000 2.295 659 V HA -0.267 3.856 4.120 0.004 0.000 0.246 659 V C 2.131 178.176 176.094 -0.082 0.000 1.049 659 V CA 1.948 64.249 62.300 0.002 0.000 1.024 659 V CB -0.641 31.191 31.823 0.015 0.000 0.648 659 V HN 0.354 nan 8.190 nan 0.000 0.447 660 N N -0.056 118.532 118.700 -0.188 0.000 2.309 660 N HA -0.084 4.658 4.740 0.004 0.000 0.182 660 N C 1.638 176.913 175.510 -0.392 0.000 1.018 660 N CA 0.884 53.750 53.050 -0.305 0.000 0.876 660 N CB -0.273 37.863 38.487 -0.584 0.000 0.972 660 N HN 0.313 nan 8.380 nan 0.000 0.434 661 L N 0.907 121.876 121.223 -0.423 0.000 2.141 661 L HA 0.032 4.374 4.340 0.004 0.000 0.209 661 L C 1.582 178.348 176.870 -0.173 0.000 1.094 661 L CA 1.215 55.814 54.840 -0.402 0.000 0.763 661 L CB -0.248 41.523 42.059 -0.481 0.000 0.908 661 L HN 0.105 nan 8.230 nan 0.000 0.437 662 L N -0.942 120.221 121.223 -0.101 0.000 2.628 662 L HA 0.131 4.474 4.340 0.004 0.000 0.229 662 L C 0.115 176.976 176.870 -0.015 0.000 1.137 662 L CA -0.270 54.550 54.840 -0.034 0.000 0.909 662 L CB -0.324 41.732 42.059 -0.006 0.000 1.137 662 L HN 0.091 nan 8.230 nan 0.000 0.470 663 D N 1.025 121.412 120.400 -0.022 0.000 2.348 663 D HA -0.016 4.627 4.640 0.004 0.000 0.259 663 D C 0.899 177.210 176.300 0.019 0.000 1.296 663 D CA -0.031 53.971 54.000 0.004 0.000 0.931 663 D CB 1.100 41.910 40.800 0.018 0.000 1.067 663 D HN -0.064 nan 8.370 nan 0.000 0.503 664 M N 3.009 122.617 119.600 0.012 0.000 2.722 664 M HA 0.177 4.660 4.480 0.004 0.000 0.238 664 M C 1.589 177.887 176.300 -0.004 0.000 1.098 664 M CA 0.334 55.641 55.300 0.012 0.000 1.062 664 M CB -0.065 32.538 32.600 0.006 0.000 1.573 664 M HN 0.438 nan 8.290 nan 0.000 0.531 665 G N -0.780 108.014 108.800 -0.011 0.000 2.744 665 G HA2 0.166 4.129 3.960 0.004 0.000 0.211 665 G HA3 0.166 4.129 3.960 0.004 0.000 0.211 665 G C 0.281 175.138 174.900 -0.071 0.000 1.146 665 G CA -0.132 44.949 45.100 -0.032 0.000 0.787 665 G HN 0.329 nan 8.290 nan 0.000 0.534 666 I N 1.445 121.963 120.570 -0.087 0.000 2.385 666 I HA 0.337 4.510 4.170 0.004 0.000 0.294 666 I C -0.174 175.772 176.117 -0.286 0.000 0.988 666 I CA -0.318 60.845 61.300 -0.228 0.000 1.265 666 I CB 2.040 39.878 38.000 -0.270 0.000 1.388 666 I HN -0.244 nan 8.210 nan 0.000 0.480 667 T N 5.390 119.742 114.554 -0.338 0.000 2.771 667 T HA 0.386 4.739 4.350 0.004 0.000 0.281 667 T C -0.983 173.537 174.700 -0.299 0.000 0.982 667 T CA -0.310 61.665 62.100 -0.209 0.000 0.978 667 T CB 0.305 69.110 68.868 -0.104 0.000 0.930 667 T HN 0.286 nan 8.240 nan 0.000 0.447 668 W N 2.275 123.585 121.300 0.016 0.000 2.469 668 W HA 0.586 5.248 4.660 0.004 0.000 0.320 668 W C 0.474 177.055 176.519 0.104 0.000 1.086 668 W CA -0.658 56.721 57.345 0.057 0.000 1.211 668 W CB 0.991 30.458 29.460 0.011 0.000 1.298 668 W HN 0.367 nan 8.180 nan 0.000 0.525 669 E N 3.195 123.641 120.200 0.411 0.000 2.356 669 E HA 0.314 4.667 4.350 0.004 0.000 0.275 669 E C -2.540 174.253 176.600 0.321 0.000 0.904 669 E CA -2.126 54.453 56.400 0.297 0.000 0.757 669 E CB 1.972 31.760 29.700 0.147 0.000 1.232 669 E HN 0.039 nan 8.360 nan 0.000 0.442 670 P HA -0.003 nan 4.420 nan 0.000 0.269 670 P C 0.153 177.407 177.300 -0.076 0.000 1.209 670 P CA -0.084 62.908 63.100 -0.179 0.000 0.776 670 P CB 0.743 32.303 31.700 -0.232 0.000 0.876 671 S N 2.995 118.625 115.700 -0.116 0.000 2.568 671 S HA 0.107 4.579 4.470 0.004 0.000 0.282 671 S C -1.169 173.411 174.600 -0.034 0.000 1.338 671 S CA -1.019 57.167 58.200 -0.023 0.000 1.045 671 S CB -0.469 62.730 63.200 -0.001 0.000 0.873 671 S HN 0.277 nan 8.310 nan 0.000 0.516 672 P HA -0.138 nan 4.420 nan 0.000 0.217 672 P C 0.812 178.103 177.300 -0.013 0.000 1.158 672 P CA 1.876 64.972 63.100 -0.007 0.000 0.887 672 P CB -0.032 31.669 31.700 0.002 0.000 0.792 673 A N 0.069 122.882 122.820 -0.011 0.000 3.894 673 A HA 0.059 4.382 4.320 0.004 0.000 0.155 673 A C 0.703 178.273 177.584 -0.023 0.000 1.539 673 A CA 0.368 52.399 52.037 -0.010 0.000 1.073 673 A CB -1.298 17.702 19.000 0.001 0.000 1.250 673 A HN 0.241 nan 8.150 nan 0.000 0.538 674 D N -0.149 120.240 120.400 -0.018 0.000 2.346 674 D HA 0.072 4.714 4.640 0.004 0.000 0.236 674 D C -0.339 175.928 176.300 -0.056 0.000 1.259 674 D CA 0.241 54.226 54.000 -0.025 0.000 0.898 674 D CB 0.382 41.177 40.800 -0.009 0.000 1.178 674 D HN 0.353 nan 8.370 nan 0.000 0.457 675 D N -2.042 118.318 120.400 -0.066 0.000 2.511 675 D HA 0.452 5.094 4.640 0.004 0.000 0.283 675 D C 1.415 177.659 176.300 -0.092 0.000 1.198 675 D CA 1.059 54.983 54.000 -0.126 0.000 1.097 675 D CB 0.532 41.270 40.800 -0.104 0.000 1.160 675 D HN 0.600 nan 8.370 nan 0.000 0.589 676 G N -1.126 107.626 108.800 -0.081 0.000 2.708 676 G HA2 -0.251 3.711 3.960 0.004 0.000 0.229 676 G HA3 -0.251 3.711 3.960 0.004 0.000 0.229 676 G C 0.413 175.364 174.900 0.085 0.000 1.236 676 G CA 1.029 46.151 45.100 0.037 0.000 0.749 676 G HN 0.961 nan 8.290 nan 0.000 0.515 677 T N -0.742 113.804 114.554 -0.013 0.000 2.875 677 T HA 0.725 5.078 4.350 0.004 0.000 0.284 677 T C -0.537 174.132 174.700 -0.051 0.000 0.995 677 T CA -0.516 61.634 62.100 0.083 0.000 1.060 677 T CB 2.257 71.178 68.868 0.088 0.000 0.967 677 T HN 0.459 nan 8.240 nan 0.000 0.476 678 Y N 0.060 120.480 120.300 0.200 0.000 2.633 678 Y HA 0.580 5.133 4.550 0.004 0.000 0.339 678 Y C 0.286 176.425 175.900 0.398 0.000 1.045 678 Y CA -1.226 57.043 58.100 0.282 0.000 1.098 678 Y CB 2.277 40.916 38.460 0.299 0.000 1.296 678 Y HN 0.619 nan 8.280 nan 0.000 0.494 679 Q N 0.103 120.227 119.800 0.541 0.000 2.337 679 Q HA 0.603 4.945 4.340 0.004 0.000 0.270 679 Q C -0.670 175.329 176.000 -0.002 0.000 1.043 679 Q CA -0.837 55.134 55.803 0.281 0.000 0.794 679 Q CB 2.270 31.077 28.738 0.115 0.000 1.281 679 Q HN 0.914 nan 8.270 nan 0.000 0.446 680 G N 2.784 111.240 108.800 -0.574 0.000 2.716 680 G HA2 0.347 4.310 3.960 0.004 0.000 0.333 680 G HA3 0.347 4.310 3.960 0.004 0.000 0.333 680 G C -0.565 173.936 174.900 -0.666 0.000 1.168 680 G CA -0.394 43.873 45.100 -1.388 0.000 1.064 680 G HN 0.340 nan 8.290 nan 0.000 0.479 681 K N 1.464 121.594 120.400 -0.451 0.000 2.098 681 K HA 0.370 4.692 4.320 0.004 0.000 0.261 681 K C -0.102 176.333 176.600 -0.275 0.000 0.987 681 K CA -0.703 55.407 56.287 -0.295 0.000 0.916 681 K CB 1.495 33.885 32.500 -0.183 0.000 1.039 681 K HN 0.657 nan 8.250 nan 0.000 0.455 682 D N 0.157 120.421 120.400 -0.227 0.000 2.509 682 D HA 0.140 4.782 4.640 0.004 0.000 0.275 682 D C 1.232 177.457 176.300 -0.126 0.000 1.189 682 D CA -0.405 53.488 54.000 -0.178 0.000 1.098 682 D CB -0.684 40.006 40.800 -0.184 0.000 1.177 682 D HN 0.425 nan 8.370 nan 0.000 0.599 683 G N -0.573 108.166 108.800 -0.102 0.000 2.484 683 G HA2 -0.238 3.724 3.960 0.004 0.000 0.215 683 G HA3 -0.238 3.724 3.960 0.004 0.000 0.215 683 G C 1.580 176.436 174.900 -0.073 0.000 1.219 683 G CA 2.185 47.239 45.100 -0.076 0.000 0.791 683 G HN 0.611 nan 8.290 nan 0.000 0.550 684 S N 0.014 115.668 115.700 -0.078 0.000 2.407 684 S HA 0.125 4.598 4.470 0.004 0.000 0.235 684 S C 2.020 176.578 174.600 -0.070 0.000 1.036 684 S CA 1.670 59.828 58.200 -0.070 0.000 1.013 684 S CB -0.568 62.586 63.200 -0.076 0.000 0.820 684 S HN 1.860 nan 8.310 nan 0.000 0.476 685 G N 0.529 109.278 108.800 -0.086 0.000 2.168 685 G HA2 -0.218 3.744 3.960 0.004 0.000 0.197 685 G HA3 -0.218 3.744 3.960 0.004 0.000 0.197 685 G C -0.095 174.750 174.900 -0.093 0.000 0.997 685 G CA 0.121 45.172 45.100 -0.082 0.000 0.658 685 G HN 0.794 nan 8.290 nan 0.000 0.513 686 K N 0.661 120.995 120.400 -0.110 0.000 2.154 686 K HA 0.587 4.909 4.320 0.004 0.000 0.264 686 K C 0.479 176.982 176.600 -0.161 0.000 1.008 686 K CA -0.539 55.676 56.287 -0.120 0.000 0.937 686 K CB 1.006 33.433 32.500 -0.123 0.000 1.002 686 K HN 0.001 nan 8.250 nan 0.000 0.469 687 V N 4.809 124.635 119.914 -0.148 0.000 2.427 687 V HA 0.057 4.179 4.120 0.004 0.000 0.268 687 V C 1.092 177.034 176.094 -0.253 0.000 1.046 687 V CA 0.144 62.341 62.300 -0.172 0.000 0.970 687 V CB 0.974 32.743 31.823 -0.091 0.000 1.001 687 V HN 0.891 nan 8.190 nan 0.000 0.476 688 K N 3.652 123.807 120.400 -0.408 0.000 2.335 688 K HA 0.175 4.498 4.320 0.004 0.000 0.195 688 K C -0.190 175.930 176.600 -0.800 0.000 1.058 688 K CA 0.095 55.951 56.287 -0.718 0.000 0.988 688 K CB 0.557 32.457 32.500 -1.000 0.000 0.880 688 K HN 0.656 nan 8.250 nan 0.000 0.513 689 W N 0.066 121.292 121.300 -0.124 0.000 3.029 689 W HA 0.342 5.004 4.660 0.004 0.000 0.339 689 W C -0.909 175.721 176.519 0.184 0.000 1.198 689 W CA -1.090 56.295 57.345 0.065 0.000 1.148 689 W CB 1.646 31.093 29.460 -0.021 0.000 1.451 689 W HN -0.162 nan 8.180 nan 0.000 0.564 690 T N -0.636 114.366 114.554 0.746 0.000 2.952 690 T HA 0.856 5.208 4.350 0.004 0.000 0.305 690 T C -0.653 174.481 174.700 0.723 0.000 1.064 690 T CA -0.604 61.877 62.100 0.635 0.000 1.008 690 T CB 1.661 70.753 68.868 0.374 0.000 1.078 690 T HN 0.901 nan 8.240 nan 0.000 0.459 691 G N 0.981 110.168 108.800 0.645 0.000 2.695 691 G HA2 0.694 4.656 3.960 0.004 0.000 0.290 691 G HA3 0.694 4.656 3.960 0.004 0.000 0.290 691 G C -0.639 174.461 174.900 0.332 0.000 1.410 691 G CA -0.484 44.864 45.100 0.413 0.000 0.844 691 G HN 1.215 nan 8.290 nan 0.000 0.478 692 S N -0.711 115.115 115.700 0.210 0.000 2.745 692 S HA 0.444 4.916 4.470 0.004 0.000 0.292 692 S C 1.189 175.871 174.600 0.138 0.000 1.127 692 S CA -0.779 57.557 58.200 0.227 0.000 1.007 692 S CB 1.908 65.192 63.200 0.140 0.000 1.165 692 S HN 0.601 nan 8.310 nan 0.000 0.544 693 R N -0.428 120.180 120.500 0.180 0.000 2.120 693 R HA -0.029 4.314 4.340 0.004 0.000 0.234 693 R C 1.948 178.236 176.300 -0.021 0.000 1.123 693 R CA 1.168 57.311 56.100 0.072 0.000 0.975 693 R CB -0.875 29.498 30.300 0.122 0.000 0.866 693 R HN 0.492 nan 8.270 nan 0.000 0.446 694 V N 1.425 121.351 119.914 0.019 0.000 2.323 694 V HA -0.218 3.904 4.120 0.004 0.000 0.244 694 V C 1.696 177.875 176.094 0.141 0.000 1.041 694 V CA 1.811 64.130 62.300 0.031 0.000 1.025 694 V CB -0.368 31.467 31.823 0.020 0.000 0.656 694 V HN 0.277 nan 8.190 nan 0.000 0.451 695 D N 0.225 120.691 120.400 0.110 0.000 2.078 695 D HA -0.154 4.488 4.640 0.004 0.000 0.193 695 D C 2.045 178.415 176.300 0.117 0.000 0.990 695 D CA 1.228 55.343 54.000 0.191 0.000 0.827 695 D CB -0.215 40.657 40.800 0.120 0.000 0.975 695 D HN 0.247 nan 8.370 nan 0.000 0.451 696 L N 0.882 122.005 121.223 -0.167 0.000 2.141 696 L HA -0.092 4.251 4.340 0.004 0.000 0.209 696 L C 2.448 179.169 176.870 -0.248 0.000 1.094 696 L CA 0.756 55.361 54.840 -0.392 0.000 0.763 696 L CB -0.631 40.968 42.059 -0.765 0.000 0.908 696 L HN -0.079 nan 8.230 nan 0.000 0.437 697 V N -1.103 118.705 119.914 -0.178 0.000 2.568 697 V HA -0.307 3.816 4.120 0.004 0.000 0.253 697 V C 2.232 178.193 176.094 -0.221 0.000 1.072 697 V CA 1.647 63.808 62.300 -0.232 0.000 1.084 697 V CB -0.393 31.247 31.823 -0.304 0.000 0.676 697 V HN 0.364 nan 8.190 nan 0.000 0.469 698 F N 0.658 120.563 119.950 -0.075 0.000 2.451 698 F HA 0.104 4.633 4.527 0.004 0.000 0.299 698 F C 2.176 177.954 175.800 -0.037 0.000 1.101 698 F CA 1.250 59.252 58.000 0.003 0.000 1.436 698 F CB -0.442 38.651 39.000 0.155 0.000 1.074 698 F HN 0.302 nan 8.300 nan 0.000 0.553 699 G N -2.225 106.586 108.800 0.017 0.000 2.719 699 G HA2 -0.067 3.896 3.960 0.004 0.000 0.211 699 G HA3 -0.067 3.896 3.960 0.004 0.000 0.211 699 G C 1.621 176.458 174.900 -0.106 0.000 1.140 699 G CA 0.719 45.778 45.100 -0.069 0.000 0.790 699 G HN 0.326 nan 8.290 nan 0.000 0.529 700 S N 0.271 115.884 115.700 -0.145 0.000 2.412 700 S HA 0.046 4.518 4.470 0.004 0.000 0.223 700 S C 1.112 175.625 174.600 -0.145 0.000 1.048 700 S CA -0.260 57.849 58.200 -0.153 0.000 0.954 700 S CB -0.406 62.684 63.200 -0.184 0.000 0.840 700 S HN 0.284 nan 8.310 nan 0.000 0.503 701 N N 1.826 120.426 118.700 -0.166 0.000 2.447 701 N HA -0.013 4.729 4.740 0.004 0.000 0.263 701 N C 1.178 176.613 175.510 -0.125 0.000 1.226 701 N CA 0.734 53.681 53.050 -0.172 0.000 0.906 701 N CB 1.278 39.632 38.487 -0.221 0.000 1.060 701 N HN 0.520 nan 8.380 nan 0.000 0.468 702 S N 3.062 118.683 115.700 -0.132 0.000 2.419 702 S HA -0.115 4.358 4.470 0.004 0.000 0.233 702 S C 1.211 175.773 174.600 -0.064 0.000 1.016 702 S CA 0.964 59.103 58.200 -0.101 0.000 0.974 702 S CB -0.018 63.105 63.200 -0.129 0.000 0.786 702 S HN 0.721 nan 8.310 nan 0.000 0.492 703 E N 0.646 120.807 120.200 -0.064 0.000 2.216 703 E HA 0.221 4.573 4.350 0.004 0.000 0.192 703 E C 1.938 178.540 176.600 0.003 0.000 0.973 703 E CA 0.326 56.710 56.400 -0.026 0.000 0.851 703 E CB -0.090 29.595 29.700 -0.024 0.000 0.804 703 E HN 0.466 nan 8.360 nan 0.000 0.477 704 L N 0.569 121.777 121.223 -0.025 0.000 2.109 704 L HA -0.072 4.270 4.340 0.004 0.000 0.207 704 L C 2.683 179.640 176.870 0.145 0.000 1.086 704 L CA 0.807 55.676 54.840 0.048 0.000 0.760 704 L CB -0.302 41.681 42.059 -0.127 0.000 0.910 704 L HN 0.063 nan 8.230 nan 0.000 0.437 705 R N 0.484 121.027 120.500 0.072 0.000 2.091 705 R HA -0.210 4.133 4.340 0.004 0.000 0.238 705 R C 2.352 178.699 176.300 0.077 0.000 1.136 705 R CA 1.556 57.706 56.100 0.082 0.000 0.959 705 R CB -0.246 30.062 30.300 0.015 0.000 0.856 705 R HN 0.347 nan 8.270 nan 0.000 0.437 706 A N 0.965 123.813 122.820 0.045 0.000 1.917 706 A HA -0.173 4.149 4.320 0.004 0.000 0.219 706 A C 2.152 179.760 177.584 0.039 0.000 1.182 706 A CA 1.444 53.497 52.037 0.027 0.000 0.633 706 A CB -0.558 18.451 19.000 0.016 0.000 0.819 706 A HN 0.360 nan 8.150 nan 0.000 0.448 707 L N -0.729 120.552 121.223 0.098 0.000 2.217 707 L HA -0.085 4.257 4.340 0.004 0.000 0.211 707 L C 2.293 179.264 176.870 0.169 0.000 1.107 707 L CA 0.507 55.429 54.840 0.137 0.000 0.783 707 L CB -0.350 41.857 42.059 0.246 0.000 0.919 707 L HN 0.240 nan 8.230 nan 0.000 0.442 708 V N -0.269 119.772 119.914 0.213 0.000 2.591 708 V HA -0.172 3.950 4.120 0.004 0.000 0.249 708 V C 2.055 178.216 176.094 0.112 0.000 1.053 708 V CA 1.321 63.780 62.300 0.265 0.000 1.068 708 V CB -0.303 31.726 31.823 0.344 0.000 0.689 708 V HN 0.434 nan 8.190 nan 0.000 0.462 709 E N -0.250 119.979 120.200 0.049 0.000 2.478 709 E HA -0.089 4.264 4.350 0.004 0.000 0.198 709 E C 2.001 178.557 176.600 -0.073 0.000 1.046 709 E CA 0.568 56.968 56.400 -0.001 0.000 0.870 709 E CB 0.150 29.848 29.700 -0.004 0.000 0.818 709 E HN 0.449 nan 8.360 nan 0.000 0.527 710 V N -0.232 119.587 119.914 -0.158 0.000 2.426 710 V HA -0.166 3.956 4.120 0.004 0.000 0.242 710 V C 1.327 177.164 176.094 -0.430 0.000 1.036 710 V CA 1.291 63.395 62.300 -0.327 0.000 1.044 710 V CB -0.285 31.239 31.823 -0.498 0.000 0.688 710 V HN 0.293 nan 8.190 nan 0.000 0.462 711 Y N 0.708 120.844 120.300 -0.273 0.000 2.546 711 Y HA 0.201 4.754 4.550 0.004 0.000 0.287 711 Y C 2.174 177.895 175.900 -0.299 0.000 1.158 711 Y CA 0.696 58.533 58.100 -0.439 0.000 1.307 711 Y CB -0.131 37.674 38.460 -1.092 0.000 1.036 711 Y HN 0.299 nan 8.280 nan 0.000 0.532 712 G N -0.494 108.287 108.800 -0.031 0.000 3.126 712 G HA2 0.366 4.329 3.960 0.004 0.000 0.224 712 G HA3 0.366 4.329 3.960 0.004 0.000 0.224 712 G C 0.495 175.412 174.900 0.028 0.000 1.142 712 G CA 0.210 45.353 45.100 0.072 0.000 0.759 712 G HN 0.282 nan 8.290 nan 0.000 0.550 713 A N 0.468 123.282 122.820 -0.010 0.000 2.332 713 A HA 0.413 4.735 4.320 0.004 0.000 0.258 713 A C 1.163 178.755 177.584 0.014 0.000 1.087 713 A CA -0.141 51.891 52.037 -0.007 0.000 0.802 713 A CB 0.507 19.486 19.000 -0.034 0.000 1.042 713 A HN 0.107 nan 8.150 nan 0.000 0.489 714 D N 0.583 120.994 120.400 0.017 0.000 2.190 714 D HA -0.163 4.479 4.640 0.004 0.000 0.200 714 D C 0.907 177.230 176.300 0.038 0.000 0.992 714 D CA 1.929 55.947 54.000 0.030 0.000 0.854 714 D CB -0.059 40.755 40.800 0.023 0.000 0.936 714 D HN 0.761 nan 8.370 nan 0.000 0.462 715 D N -0.363 120.052 120.400 0.025 0.000 2.328 715 D HA 0.134 4.776 4.640 0.004 0.000 0.221 715 D C 1.414 177.737 176.300 0.038 0.000 1.072 715 D CA 0.113 54.131 54.000 0.031 0.000 0.850 715 D CB -0.087 40.721 40.800 0.014 0.000 0.922 715 D HN 0.092 nan 8.370 nan 0.000 0.516 716 A N 0.181 123.025 122.820 0.041 0.000 2.081 716 A HA -0.039 4.283 4.320 0.004 0.000 0.214 716 A C 2.125 179.795 177.584 0.144 0.000 1.158 716 A CA 0.699 52.772 52.037 0.059 0.000 0.724 716 A CB -0.440 18.566 19.000 0.010 0.000 0.826 716 A HN 0.224 nan 8.150 nan 0.000 0.463 717 Q N 0.567 120.456 119.800 0.148 0.000 2.062 717 Q HA -0.173 4.170 4.340 0.004 0.000 0.209 717 Q C -0.687 175.364 176.000 0.085 0.000 0.996 717 Q CA 2.661 58.578 55.803 0.191 0.000 0.859 717 Q CB -0.650 28.226 28.738 0.230 0.000 0.920 717 Q HN 0.525 nan 8.270 nan 0.000 0.415 718 P HA -0.165 nan 4.420 nan 0.000 0.219 718 P C 0.598 177.896 177.300 -0.004 0.000 1.150 718 P CA 1.435 64.500 63.100 -0.058 0.000 0.814 718 P CB -0.105 31.625 31.700 0.050 0.000 0.787 719 K N -0.812 119.639 120.400 0.084 0.000 2.155 719 K HA -0.126 4.196 4.320 0.004 0.000 0.203 719 K C 2.068 178.803 176.600 0.225 0.000 1.052 719 K CA 0.662 57.024 56.287 0.125 0.000 0.948 719 K CB -0.550 32.018 32.500 0.113 0.000 0.728 719 K HN -0.107 nan 8.250 nan 0.000 0.448 720 F N 1.666 121.702 119.950 0.144 0.000 2.051 720 F HA -0.198 4.331 4.527 0.004 0.000 0.296 720 F C 1.746 177.567 175.800 0.035 0.000 1.122 720 F CA 1.430 59.501 58.000 0.118 0.000 1.201 720 F CB -0.757 38.294 39.000 0.086 0.000 0.978 720 F HN -0.199 nan 8.300 nan 0.000 0.472 721 V N 1.043 120.712 119.914 -0.409 0.000 2.324 721 V HA -0.368 3.755 4.120 0.004 0.000 0.250 721 V C 2.434 178.390 176.094 -0.231 0.000 1.060 721 V CA 2.394 64.410 62.300 -0.474 0.000 1.042 721 V CB -0.980 30.608 31.823 -0.391 0.000 0.650 721 V HN 0.474 nan 8.190 nan 0.000 0.450 722 Q N -0.440 119.287 119.800 -0.121 0.000 1.993 722 Q HA -0.225 4.118 4.340 0.004 0.000 0.202 722 Q C 2.152 178.132 176.000 -0.033 0.000 0.984 722 Q CA 1.863 57.639 55.803 -0.045 0.000 0.837 722 Q CB -0.342 28.396 28.738 -0.001 0.000 0.902 722 Q HN 0.627 nan 8.270 nan 0.000 0.423 723 D N 0.421 120.816 120.400 -0.008 0.000 2.104 723 D HA -0.173 4.469 4.640 0.004 0.000 0.194 723 D C 1.605 177.864 176.300 -0.068 0.000 0.994 723 D CA 0.912 54.914 54.000 0.003 0.000 0.830 723 D CB -0.462 40.393 40.800 0.091 0.000 0.959 723 D HN 0.141 nan 8.370 nan 0.000 0.452 724 F N 1.578 121.349 119.950 -0.298 0.000 2.126 724 F HA -0.235 4.294 4.527 0.004 0.000 0.299 724 F C 2.159 177.892 175.800 -0.112 0.000 1.096 724 F CA 1.149 58.978 58.000 -0.286 0.000 1.255 724 F CB -0.193 38.431 39.000 -0.626 0.000 0.997 724 F HN -0.202 nan 8.300 nan 0.000 0.479 725 V N 0.421 120.297 119.914 -0.064 0.000 2.515 725 V HA -0.254 3.869 4.120 0.004 0.000 0.250 725 V C 2.684 178.752 176.094 -0.044 0.000 1.058 725 V CA 1.577 63.852 62.300 -0.041 0.000 1.064 725 V CB -1.429 30.407 31.823 0.022 0.000 0.675 725 V HN 0.509 nan 8.190 nan 0.000 0.461 726 A N 0.040 122.824 122.820 -0.059 0.000 1.898 726 A HA -0.030 4.293 4.320 0.004 0.000 0.216 726 A C 2.419 179.956 177.584 -0.079 0.000 1.181 726 A CA 1.832 53.842 52.037 -0.045 0.000 0.620 726 A CB -0.687 18.297 19.000 -0.027 0.000 0.819 726 A HN 0.533 nan 8.150 nan 0.000 0.442 727 A N -1.182 121.564 122.820 -0.124 0.000 1.898 727 A HA -0.166 4.156 4.320 0.004 0.000 0.216 727 A C 2.090 179.570 177.584 -0.174 0.000 1.181 727 A CA 1.356 53.310 52.037 -0.138 0.000 0.620 727 A CB -0.889 18.030 19.000 -0.135 0.000 0.819 727 A HN 0.882 nan 8.150 nan 0.000 0.442 728 W N 1.178 122.206 121.300 -0.453 0.000 2.374 728 W HA -0.186 4.476 4.660 0.004 0.000 0.288 728 W C 1.279 177.678 176.519 -0.201 0.000 1.218 728 W CA 2.104 59.224 57.345 -0.376 0.000 1.245 728 W CB -0.303 28.808 29.460 -0.582 0.000 1.126 728 W HN 0.506 nan 8.180 nan 0.000 0.545 729 D N 0.559 120.916 120.400 -0.071 0.000 2.149 729 D HA -0.202 4.440 4.640 0.004 0.000 0.201 729 D C 2.191 178.359 176.300 -0.221 0.000 0.972 729 D CA 1.718 55.657 54.000 -0.101 0.000 0.835 729 D CB -0.303 40.491 40.800 -0.009 0.000 0.966 729 D HN 0.126 nan 8.370 nan 0.000 0.476 730 K N -0.177 120.098 120.400 -0.209 0.000 2.097 730 K HA -0.068 4.254 4.320 0.004 0.000 0.205 730 K C 1.823 178.236 176.600 -0.313 0.000 1.050 730 K CA 0.884 57.037 56.287 -0.223 0.000 0.938 730 K CB 0.097 32.505 32.500 -0.155 0.000 0.718 730 K HN 0.025 nan 8.250 nan 0.000 0.442 731 V N 1.459 121.150 119.914 -0.372 0.000 2.323 731 V HA -0.236 3.886 4.120 0.004 0.000 0.244 731 V C 2.446 178.212 176.094 -0.547 0.000 1.041 731 V CA 1.333 63.350 62.300 -0.471 0.000 1.025 731 V CB -0.333 31.163 31.823 -0.544 0.000 0.656 731 V HN 0.373 nan 8.190 nan 0.000 0.451 732 M N 0.485 119.725 119.600 -0.600 0.000 2.202 732 M HA -0.128 4.354 4.480 0.004 0.000 0.262 732 M C 1.420 177.478 176.300 -0.403 0.000 1.063 732 M CA 1.501 56.498 55.300 -0.505 0.000 1.097 732 M CB -1.295 31.041 32.600 -0.440 0.000 1.382 732 M HN 0.394 nan 8.290 nan 0.000 0.413 733 N N 0.155 118.616 118.700 -0.399 0.000 2.268 733 N HA 0.179 4.921 4.740 0.004 0.000 0.204 733 N C 1.583 176.783 175.510 -0.518 0.000 1.124 733 N CA 0.066 52.878 53.050 -0.397 0.000 0.838 733 N CB 0.223 38.511 38.487 -0.332 0.000 0.994 733 N HN 0.368 nan 8.380 nan 0.000 0.489 734 L N 0.920 121.766 121.223 -0.629 0.000 2.043 734 L HA -0.212 4.130 4.340 0.004 0.000 0.212 734 L C 1.740 177.865 176.870 -1.241 0.000 1.075 734 L CA 1.481 55.746 54.840 -0.959 0.000 0.752 734 L CB -0.230 41.116 42.059 -1.188 0.000 0.891 734 L HN 0.181 nan 8.230 nan 0.000 0.432 735 D N -1.254 118.610 120.400 -0.894 0.000 2.339 735 D HA -0.097 4.545 4.640 0.004 0.000 0.217 735 D C 0.972 177.139 176.300 -0.223 0.000 1.050 735 D CA 0.044 53.806 54.000 -0.396 0.000 0.856 735 D CB -0.139 40.631 40.800 -0.050 0.000 0.922 735 D HN 0.071 nan 8.370 nan 0.000 0.518 736 R N 0.977 121.232 120.500 -0.408 0.000 4.860 736 R HA 0.115 4.457 4.340 0.004 0.000 0.191 736 R C 0.104 176.233 176.300 -0.284 0.000 1.936 736 R CA -0.284 55.650 56.100 -0.277 0.000 1.609 736 R CB -1.540 28.591 30.300 -0.282 0.000 1.392 736 R HN 0.242 nan 8.270 nan 0.000 0.844 737 F N 0.803 120.722 119.950 -0.052 0.000 2.699 737 F HA -0.104 4.426 4.527 0.004 0.000 0.298 737 F C 1.955 177.744 175.800 -0.020 0.000 1.154 737 F CA 0.716 58.705 58.000 -0.019 0.000 1.457 737 F CB 0.043 39.060 39.000 0.027 0.000 1.106 737 F HN 0.276 nan 8.300 nan 0.000 0.585 738 D N 0.447 120.906 120.400 0.099 0.000 2.224 738 D HA -0.108 4.534 4.640 0.004 0.000 0.205 738 D C 1.576 177.877 176.300 0.002 0.000 0.965 738 D CA 1.368 55.396 54.000 0.047 0.000 0.852 738 D CB -0.656 40.156 40.800 0.019 0.000 0.947 738 D HN 0.338 nan 8.370 nan 0.000 0.494 739 V N -1.616 118.274 119.914 -0.040 0.000 3.177 739 V HA 0.426 4.548 4.120 0.004 0.000 0.342 739 V C 0.334 176.393 176.094 -0.058 0.000 1.379 739 V CA -0.614 61.651 62.300 -0.059 0.000 1.191 739 V CB -1.151 30.613 31.823 -0.098 0.000 1.167 739 V HN 0.267 nan 8.190 nan 0.000 0.471 740 R N 0.000 120.483 120.500 -0.029 0.000 2.786 740 R HA 0.000 4.342 4.340 0.004 0.000 0.208 740 R CA 0.000 56.089 56.100 -0.018 0.000 0.921 740 R CB 0.000 30.258 30.300 -0.069 0.000 0.687 740 R HN 0.000 nan 8.270 nan 0.000 0.535