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 3fbx_1_A DATA FIRST_RESID 63 DATA SEQUENCE VSRTRSLLLD AASGQLRLED GFHPDAVAWA NLTNAIRETG WAYLDLSTNG DATA SEQUENCE RYNDSLQAYA AGVVEASVSE ELIYMHWMNT VVNYcGPFEY EVGYcEKLKN DATA SEQUENCE FLEANLEWMQ REMELNPDSP YWHQVRLTLL QLKGLEDSYE GRLTFPTGRF DATA SEQUENCE TIKPLGFLLL QISGDLEDLE PALNKTXXXX XXXXXXXSAL IKLLPGGHDL DATA SEQUENCE LVAHNTWNSY QNMLRIIKKY RLQFREGPQE EYPLVAGNNL VFSSYPGTIF DATA SEQUENCE SGDDFYILGS GLVTLETTIG NKNPALWKYV QPQGCVLEWI RNVVANRLAL DATA SEQUENCE DGATWADVFK RFNSGTYNNQ WMIVDYKAFL PNGPSPGSRV LTILEQIPGM DATA SEQUENCE VVVADKTAEL YKTTYWASYN IPYFETVFNA SGLQALVAQY GDWFSYTKNP DATA SEQUENCE RAKIFQRDQS LVEDMDAMVR LMRYNDFLHD PLSLCEACNP KPNAENAISA DATA SEQUENCE RSDLNPANGS YPFQALHQRA HGGIDVKVTS FTLAKYMSML AASGPTWDQC DATA SEQUENCE PPFQWSKSPF HSMLHMGQPD LWMFSPIRVP 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 63 V HA 0.000 nan 4.120 nan 0.000 0.244 63 V C 0.000 176.122 176.094 0.047 0.000 1.182 63 V CA 0.000 62.324 62.300 0.040 0.000 1.235 63 V CB 0.000 31.843 31.823 0.033 0.000 1.184 64 S N 0.948 116.675 115.700 0.045 0.000 2.538 64 S HA 0.815 5.284 4.470 -0.000 0.000 0.288 64 S C -0.916 173.714 174.600 0.050 0.000 1.108 64 S CA -0.518 57.712 58.200 0.049 0.000 0.971 64 S CB 1.681 64.908 63.200 0.045 0.000 1.041 64 S HN 0.505 nan 8.310 nan 0.000 0.483 65 R N 2.452 122.986 120.500 0.056 0.000 2.548 65 R HA 0.505 4.845 4.340 -0.000 0.000 0.280 65 R C -1.712 174.633 176.300 0.076 0.000 1.061 65 R CA -0.344 55.793 56.100 0.063 0.000 0.915 65 R CB 1.799 32.137 30.300 0.064 0.000 1.210 65 R HN 0.658 nan 8.270 nan 0.000 0.442 66 T N 4.431 119.038 114.554 0.089 0.000 2.824 66 T HA 0.599 4.949 4.350 -0.000 0.000 0.282 66 T C -0.788 174.000 174.700 0.148 0.000 0.993 66 T CA -0.846 61.328 62.100 0.124 0.000 0.967 66 T CB 1.172 70.111 68.868 0.119 0.000 0.960 66 T HN 0.335 nan 8.240 nan 0.000 0.441 67 R N 1.550 122.159 120.500 0.183 0.000 2.771 67 R HA 0.755 5.095 4.340 -0.000 0.000 0.274 67 R C -1.149 175.307 176.300 0.259 0.000 0.987 67 R CA -0.859 55.353 56.100 0.186 0.000 0.908 67 R CB 2.347 32.724 30.300 0.130 0.000 1.213 67 R HN 0.568 nan 8.270 nan 0.000 0.468 68 S N 1.328 117.176 115.700 0.247 0.000 2.526 68 S HA 0.476 4.946 4.470 -0.000 0.000 0.293 68 S C -1.122 173.564 174.600 0.143 0.000 1.092 68 S CA -0.703 57.665 58.200 0.280 0.000 0.980 68 S CB 1.933 65.324 63.200 0.318 0.000 1.048 68 S HN 0.395 nan 8.310 nan 0.000 0.483 69 L N 3.633 124.930 121.223 0.122 0.000 2.280 69 L HA 0.608 4.947 4.340 -0.000 0.000 0.287 69 L C -1.553 175.310 176.870 -0.012 0.000 1.023 69 L CA -0.325 54.534 54.840 0.031 0.000 0.819 69 L CB 0.388 42.449 42.059 0.003 0.000 1.212 69 L HN 0.520 nan 8.230 nan 0.000 0.420 70 L N 5.055 126.251 121.223 -0.045 0.000 2.334 70 L HA 0.490 4.830 4.340 -0.000 0.000 0.275 70 L C -0.617 176.197 176.870 -0.092 0.000 1.036 70 L CA -0.392 54.406 54.840 -0.068 0.000 0.807 70 L CB 1.622 43.633 42.059 -0.079 0.000 1.231 70 L HN 0.507 nan 8.230 nan 0.000 0.438 71 L N 3.063 124.219 121.223 -0.113 0.000 2.262 71 L HA 0.341 4.681 4.340 -0.000 0.000 0.288 71 L C -0.269 176.597 176.870 -0.006 0.000 1.035 71 L CA 0.045 54.834 54.840 -0.084 0.000 0.820 71 L CB 0.764 42.737 42.059 -0.144 0.000 1.204 71 L HN 0.507 nan 8.230 nan 0.000 0.424 72 D N 4.352 124.745 120.400 -0.011 0.000 2.374 72 D HA 0.133 4.773 4.640 -0.000 0.000 0.240 72 D C 0.894 177.203 176.300 0.015 0.000 1.229 72 D CA 0.441 54.442 54.000 0.002 0.000 0.895 72 D CB 1.781 42.575 40.800 -0.009 0.000 1.046 72 D HN 0.800 nan 8.370 nan 0.000 0.498 73 A N 3.902 126.740 122.820 0.031 0.000 1.972 73 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 73 A C 2.014 179.611 177.584 0.022 0.000 1.169 73 A CA 1.592 53.651 52.037 0.036 0.000 0.635 73 A CB -0.189 18.837 19.000 0.044 0.000 0.810 73 A HN 0.632 nan 8.150 nan 0.000 0.446 74 A N -1.568 121.261 122.820 0.015 0.000 2.235 74 A HA 0.195 4.515 4.320 -0.000 0.000 0.208 74 A C 2.125 179.714 177.584 0.008 0.000 1.172 74 A CA 1.503 53.546 52.037 0.010 0.000 0.786 74 A CB -0.351 18.653 19.000 0.006 0.000 0.804 74 A HN 0.417 nan 8.150 nan 0.000 0.479 75 S N -1.104 114.600 115.700 0.008 0.000 2.506 75 S HA 0.244 4.714 4.470 -0.000 0.000 0.230 75 S C 1.291 175.896 174.600 0.008 0.000 1.066 75 S CA 0.530 58.733 58.200 0.005 0.000 0.940 75 S CB -0.001 63.200 63.200 0.001 0.000 0.818 75 S HN 0.597 nan 8.310 nan 0.000 0.518 76 G N 3.057 111.864 108.800 0.011 0.000 2.663 76 G HA2 0.452 4.412 3.960 -0.000 0.000 0.320 76 G HA3 0.452 4.412 3.960 -0.000 0.000 0.320 76 G C -0.599 174.303 174.900 0.004 0.000 0.937 76 G CA -0.328 44.778 45.100 0.010 0.000 1.332 76 G HN 0.210 nan 8.290 nan 0.000 0.461 77 Q N 1.457 121.256 119.800 -0.002 0.000 2.274 77 Q HA 0.370 4.710 4.340 -0.000 0.000 0.260 77 Q C -0.109 175.882 176.000 -0.015 0.000 0.974 77 Q CA -0.651 55.151 55.803 -0.002 0.000 0.876 77 Q CB 2.766 31.504 28.738 0.001 0.000 1.297 77 Q HN 0.432 nan 8.270 nan 0.000 0.446 78 L N 3.143 124.361 121.223 -0.009 0.000 2.331 78 L HA 0.423 4.763 4.340 -0.000 0.000 0.278 78 L C 0.462 177.330 176.870 -0.002 0.000 1.106 78 L CA -0.128 54.703 54.840 -0.015 0.000 0.824 78 L CB 0.365 42.436 42.059 0.019 0.000 1.142 78 L HN 0.479 nan 8.230 nan 0.000 0.443 79 R N 3.509 123.998 120.500 -0.018 0.000 2.651 79 R HA 0.650 4.990 4.340 -0.000 0.000 0.278 79 R C -1.678 174.609 176.300 -0.020 0.000 1.010 79 R CA -0.973 55.118 56.100 -0.016 0.000 0.896 79 R CB 1.397 31.682 30.300 -0.025 0.000 1.211 79 R HN 0.426 nan 8.270 nan 0.000 0.456 80 L N 2.346 123.565 121.223 -0.007 0.000 2.326 80 L HA 0.377 4.717 4.340 -0.000 0.000 0.278 80 L C 0.039 176.902 176.870 -0.011 0.000 1.092 80 L CA -0.121 54.721 54.840 0.004 0.000 0.810 80 L CB 1.246 43.317 42.059 0.019 0.000 1.153 80 L HN 0.651 nan 8.230 nan 0.000 0.439 81 E N 1.684 121.878 120.200 -0.010 0.000 2.288 81 E HA 0.294 4.644 4.350 -0.000 0.000 0.268 81 E C -1.454 175.198 176.600 0.086 0.000 0.885 81 E CA -0.914 55.474 56.400 -0.020 0.000 0.767 81 E CB 2.279 31.857 29.700 -0.203 0.000 1.220 81 E HN 0.497 nan 8.360 nan 0.000 0.427 82 D N 0.276 120.740 120.400 0.107 0.000 2.362 82 D HA 0.426 5.065 4.640 -0.000 0.000 0.242 82 D C 0.472 176.909 176.300 0.230 0.000 1.132 82 D CA 1.445 55.529 54.000 0.142 0.000 0.907 82 D CB 0.846 41.703 40.800 0.096 0.000 1.195 82 D HN 0.651 nan 8.370 nan 0.000 0.429 83 G N 0.538 109.441 108.800 0.172 0.000 2.760 83 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.246 83 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.246 83 G C -0.945 174.026 174.900 0.119 0.000 1.359 83 G CA -0.756 44.413 45.100 0.114 0.000 0.861 83 G HN 0.415 nan 8.290 nan 0.000 0.541 84 F N 1.793 121.576 119.950 -0.278 0.000 2.411 84 F HA 0.737 5.264 4.527 -0.000 0.000 0.355 84 F C 0.245 175.630 175.800 -0.693 0.000 1.117 84 F CA -1.035 56.735 58.000 -0.384 0.000 1.139 84 F CB 0.856 39.653 39.000 -0.339 0.000 1.120 84 F HN 0.515 nan 8.300 nan 0.000 0.493 85 H N 7.093 125.725 119.070 -0.730 0.000 2.854 85 H HA 0.295 4.851 4.556 -0.000 0.000 0.275 85 H C -2.131 172.613 175.328 -0.973 0.000 1.198 85 H CA -1.709 53.909 56.048 -0.716 0.000 1.489 85 H CB 1.037 30.625 29.762 -0.290 0.000 1.519 85 H HN 0.372 nan 8.280 nan 0.000 0.503 86 P HA -0.200 nan 4.420 nan 0.000 0.222 86 P C 0.969 178.068 177.300 -0.335 0.000 1.142 86 P CA 1.252 63.702 63.100 -1.084 0.000 0.788 86 P CB 0.361 31.610 31.700 -0.751 0.000 0.767 87 D N -1.154 119.135 120.400 -0.184 0.000 2.317 87 D HA 0.005 4.645 4.640 -0.000 0.000 0.211 87 D C 0.905 177.321 176.300 0.193 0.000 0.966 87 D CA 0.157 54.177 54.000 0.033 0.000 0.876 87 D CB -0.519 40.285 40.800 0.006 0.000 0.927 87 D HN 0.067 nan 8.370 nan 0.000 0.519 88 A N 0.907 123.836 122.820 0.180 0.000 2.366 88 A HA 0.256 4.576 4.320 -0.000 0.000 0.250 88 A C 1.685 179.455 177.584 0.311 0.000 1.099 88 A CA -0.399 51.774 52.037 0.227 0.000 0.794 88 A CB 0.755 19.901 19.000 0.244 0.000 1.056 88 A HN -0.024 nan 8.150 nan 0.000 0.499 89 V N 0.030 119.933 119.914 -0.019 0.000 2.427 89 V HA 0.195 4.315 4.120 -0.000 0.000 0.248 89 V C 1.206 177.308 176.094 0.013 0.000 1.051 89 V CA 2.052 64.231 62.300 -0.201 0.000 1.048 89 V CB -1.502 30.014 31.823 -0.511 0.000 0.666 89 V HN 1.211 nan 8.190 nan 0.000 0.456 90 A N -0.925 121.942 122.820 0.078 0.000 2.612 90 A HA 0.692 5.012 4.320 -0.000 0.000 0.293 90 A C -1.969 175.758 177.584 0.238 0.000 1.075 90 A CA -0.525 51.484 52.037 -0.046 0.000 0.680 90 A CB 1.189 20.110 19.000 -0.132 0.000 1.279 90 A HN 0.516 nan 8.150 nan 0.000 0.411 91 W N -0.819 120.523 121.300 0.070 0.000 3.167 91 W HA 0.859 5.519 4.660 -0.000 0.000 0.324 91 W C -0.503 176.064 176.519 0.080 0.000 1.230 91 W CA -0.408 57.000 57.345 0.105 0.000 1.184 91 W CB 1.220 30.801 29.460 0.203 0.000 1.414 91 W HN 1.474 nan 8.180 nan 0.000 0.551 92 A N 2.139 125.122 122.820 0.270 0.000 2.594 92 A HA 0.775 5.095 4.320 -0.000 0.000 0.291 92 A C -1.897 175.785 177.584 0.164 0.000 1.105 92 A CA -0.899 51.218 52.037 0.135 0.000 0.694 92 A CB 2.153 21.186 19.000 0.056 0.000 1.291 92 A HN 0.802 nan 8.150 nan 0.000 0.410 93 N N 0.168 118.919 118.700 0.085 0.000 2.542 93 N HA 0.443 5.183 4.740 -0.000 0.000 0.288 93 N C -2.225 173.287 175.510 0.003 0.000 1.115 93 N CA -0.217 52.873 53.050 0.066 0.000 0.924 93 N CB 1.285 39.816 38.487 0.075 0.000 1.526 93 N HN 0.733 nan 8.380 nan 0.000 0.515 94 L N 2.513 123.752 121.223 0.027 0.000 2.341 94 L HA 0.683 5.023 4.340 -0.000 0.000 0.278 94 L C -0.704 176.198 176.870 0.052 0.000 1.005 94 L CA -0.237 54.614 54.840 0.019 0.000 0.818 94 L CB 1.650 43.729 42.059 0.034 0.000 1.259 94 L HN 0.510 nan 8.230 nan 0.000 0.418 95 T N 3.170 117.771 114.554 0.078 0.000 2.788 95 T HA 0.262 4.612 4.350 -0.000 0.000 0.296 95 T C -0.365 174.393 174.700 0.096 0.000 1.009 95 T CA -0.417 61.740 62.100 0.095 0.000 0.949 95 T CB 0.453 69.397 68.868 0.126 0.000 0.946 95 T HN 0.455 nan 8.240 nan 0.000 0.453 96 N N 2.647 121.391 118.700 0.072 0.000 2.406 96 N HA 0.379 5.119 4.740 -0.000 0.000 0.251 96 N C -0.046 175.492 175.510 0.047 0.000 1.069 96 N CA -0.587 52.501 53.050 0.064 0.000 0.947 96 N CB 0.828 39.349 38.487 0.058 0.000 1.111 96 N HN 0.719 nan 8.380 nan 0.000 0.497 97 A N 4.815 127.661 122.820 0.042 0.000 2.676 97 A HA 0.289 4.609 4.320 -0.000 0.000 0.297 97 A C 1.521 179.072 177.584 -0.055 0.000 1.132 97 A CA -0.406 51.638 52.037 0.012 0.000 0.972 97 A CB -0.331 18.687 19.000 0.030 0.000 1.197 97 A HN 0.749 nan 8.150 nan 0.000 0.524 98 I N -0.898 119.634 120.570 -0.063 0.000 2.286 98 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 98 I C 2.679 178.649 176.117 -0.244 0.000 1.115 98 I CA 0.858 62.056 61.300 -0.169 0.000 1.392 98 I CB -0.123 37.834 38.000 -0.072 0.000 1.065 98 I HN 0.380 nan 8.210 nan 0.000 0.418 99 R N 0.980 121.423 120.500 -0.094 0.000 2.096 99 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 99 R C 1.917 178.254 176.300 0.062 0.000 1.127 99 R CA 1.616 57.707 56.100 -0.016 0.000 0.968 99 R CB -0.019 30.284 30.300 0.004 0.000 0.861 99 R HN 0.388 nan 8.270 nan 0.000 0.440 100 E N -1.777 118.418 120.200 -0.008 0.000 2.216 100 E HA -0.031 4.319 4.350 -0.000 0.000 0.192 100 E C 1.511 178.131 176.600 0.034 0.000 0.973 100 E CA 1.446 57.887 56.400 0.067 0.000 0.851 100 E CB 0.360 30.079 29.700 0.032 0.000 0.804 100 E HN 0.439 nan 8.360 nan 0.000 0.477 101 T N -5.204 109.136 114.554 -0.358 0.000 3.009 101 T HA 0.360 4.710 4.350 -0.000 0.000 0.267 101 T C 1.553 175.618 174.700 -1.058 0.000 0.942 101 T CA 0.263 62.117 62.100 -0.410 0.000 0.883 101 T CB 0.786 69.651 68.868 -0.005 0.000 1.192 101 T HN 0.226 nan 8.240 nan 0.000 0.524 102 G N 0.764 108.678 108.800 -1.475 0.000 2.179 102 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.260 102 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.260 102 G C -0.265 174.198 174.900 -0.727 0.000 0.977 102 G CA -0.014 44.362 45.100 -1.207 0.000 0.641 102 G HN 0.601 nan 8.290 nan 0.000 0.533 103 W N 0.154 121.307 121.300 -0.243 0.000 2.819 103 W HA 0.792 5.452 4.660 -0.000 0.000 0.337 103 W C 0.214 176.685 176.519 -0.079 0.000 1.077 103 W CA -0.516 56.759 57.345 -0.117 0.000 1.226 103 W CB 1.786 31.186 29.460 -0.100 0.000 1.419 103 W HN 0.474 nan 8.180 nan 0.000 0.502 104 A N 1.813 124.766 122.820 0.221 0.000 2.281 104 A HA 0.742 5.062 4.320 -0.000 0.000 0.329 104 A C -2.185 175.531 177.584 0.219 0.000 1.122 104 A CA -0.468 51.669 52.037 0.167 0.000 0.850 104 A CB 0.996 20.055 19.000 0.098 0.000 1.207 104 A HN 0.641 nan 8.150 nan 0.000 0.495 105 Y N 0.411 120.721 120.300 0.017 0.000 2.373 105 Y HA 0.588 5.138 4.550 -0.000 0.000 0.336 105 Y C -1.375 174.514 175.900 -0.018 0.000 0.979 105 Y CA -1.323 56.759 58.100 -0.030 0.000 1.080 105 Y CB 1.723 40.158 38.460 -0.042 0.000 1.190 105 Y HN 0.671 nan 8.280 nan 0.000 0.446 106 L N 6.361 127.247 121.223 -0.561 0.000 2.341 106 L HA 0.581 4.921 4.340 -0.000 0.000 0.278 106 L C -1.466 174.985 176.870 -0.699 0.000 1.005 106 L CA -0.148 54.416 54.840 -0.459 0.000 0.818 106 L CB 1.518 43.461 42.059 -0.193 0.000 1.259 106 L HN 0.688 nan 8.230 nan 0.000 0.418 107 D N 5.142 125.282 120.400 -0.433 0.000 2.549 107 D HA 0.397 5.037 4.640 -0.000 0.000 0.251 107 D C -1.711 174.538 176.300 -0.086 0.000 1.153 107 D CA -0.171 53.660 54.000 -0.281 0.000 0.861 107 D CB 1.891 42.569 40.800 -0.204 0.000 1.207 107 D HN 0.647 nan 8.370 nan 0.000 0.543 108 L N 1.972 123.170 121.223 -0.042 0.000 2.408 108 L HA 0.579 4.919 4.340 -0.000 0.000 0.268 108 L C -1.312 175.411 176.870 -0.246 0.000 0.986 108 L CA -0.241 54.530 54.840 -0.114 0.000 0.820 108 L CB 1.940 43.949 42.059 -0.082 0.000 1.303 108 L HN 0.201 nan 8.230 nan 0.000 0.411 109 S N 1.235 116.603 115.700 -0.553 0.000 2.536 109 S HA 0.730 5.199 4.470 -0.000 0.000 0.287 109 S C -0.725 173.334 174.600 -0.902 0.000 1.101 109 S CA -0.541 57.214 58.200 -0.741 0.000 0.950 109 S CB 2.086 64.703 63.200 -0.973 0.000 1.056 109 S HN 0.763 nan 8.310 nan 0.000 0.481 110 T N 0.138 114.346 114.554 -0.577 0.000 2.932 110 T HA 0.557 4.907 4.350 -0.000 0.000 0.289 110 T C -0.651 173.911 174.700 -0.230 0.000 1.039 110 T CA -0.929 60.937 62.100 -0.389 0.000 1.024 110 T CB 1.205 69.974 68.868 -0.164 0.000 1.090 110 T HN 0.381 nan 8.240 nan 0.000 0.496 111 N N 0.359 119.059 118.700 0.000 0.000 2.426 111 N HA 0.326 5.066 4.740 -0.000 0.000 0.257 111 N C 1.247 176.895 175.510 0.230 0.000 1.002 111 N CA -0.356 52.825 53.050 0.219 0.000 0.942 111 N CB 1.247 40.008 38.487 0.457 0.000 1.112 111 N HN 0.952 nan 8.380 nan 0.000 0.499 112 G N 2.843 111.736 108.800 0.156 0.000 2.776 112 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.209 112 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.209 112 G C 1.321 176.271 174.900 0.084 0.000 1.145 112 G CA 0.311 45.489 45.100 0.129 0.000 0.791 112 G HN 0.698 nan 8.290 nan 0.000 0.530 113 R N -1.126 119.394 120.500 0.033 0.000 2.307 113 R HA 0.174 4.514 4.340 -0.000 0.000 0.199 113 R C -0.174 175.952 176.300 -0.289 0.000 1.000 113 R CA 0.037 56.055 56.100 -0.137 0.000 1.023 113 R CB -0.474 29.701 30.300 -0.209 0.000 0.908 113 R HN 0.316 nan 8.270 nan 0.000 0.473 114 Y N 1.205 121.537 120.300 0.053 0.000 2.453 114 Y HA 0.260 4.810 4.550 -0.000 0.000 0.326 114 Y C 0.221 176.151 175.900 0.050 0.000 1.186 114 Y CA -1.552 56.568 58.100 0.033 0.000 1.200 114 Y CB 0.609 39.074 38.460 0.009 0.000 1.247 114 Y HN 0.128 nan 8.280 nan 0.000 0.482 115 N N -0.079 118.742 118.700 0.203 0.000 2.415 115 N HA -0.040 4.700 4.740 -0.000 0.000 0.248 115 N C 0.254 175.862 175.510 0.164 0.000 1.271 115 N CA -0.059 53.084 53.050 0.155 0.000 0.913 115 N CB 0.516 39.082 38.487 0.132 0.000 1.129 115 N HN 0.660 nan 8.380 nan 0.000 0.444 116 D N -0.227 120.268 120.400 0.157 0.000 2.269 116 D HA -0.110 4.530 4.640 -0.000 0.000 0.208 116 D C 0.930 177.192 176.300 -0.064 0.000 0.963 116 D CA 0.934 54.998 54.000 0.106 0.000 0.864 116 D CB -0.528 40.343 40.800 0.117 0.000 0.936 116 D HN 0.449 nan 8.370 nan 0.000 0.505 117 S N 0.129 115.860 115.700 0.052 0.000 2.356 117 S HA -0.084 4.386 4.470 -0.000 0.000 0.223 117 S C 1.728 176.455 174.600 0.212 0.000 1.032 117 S CA 0.692 58.965 58.200 0.121 0.000 1.005 117 S CB -0.411 62.948 63.200 0.265 0.000 0.867 117 S HN 0.235 nan 8.310 nan 0.000 0.449 118 L N 1.921 123.173 121.223 0.048 0.000 2.046 118 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 118 L C 2.305 179.128 176.870 -0.078 0.000 1.077 118 L CA 1.701 56.342 54.840 -0.331 0.000 0.747 118 L CB -0.737 41.005 42.059 -0.528 0.000 0.896 118 L HN 0.285 nan 8.230 nan 0.000 0.432 119 Q N -0.668 119.160 119.800 0.047 0.000 2.077 119 Q HA -0.269 4.071 4.340 -0.000 0.000 0.206 119 Q C 2.259 178.379 176.000 0.200 0.000 0.989 119 Q CA 1.990 57.881 55.803 0.146 0.000 0.853 119 Q CB -0.490 28.445 28.738 0.329 0.000 0.907 119 Q HN 0.706 nan 8.270 nan 0.000 0.418 120 A N 0.238 123.167 122.820 0.182 0.000 1.877 120 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 120 A C 1.930 179.602 177.584 0.146 0.000 1.186 120 A CA 1.503 53.642 52.037 0.171 0.000 0.620 120 A CB -1.020 17.909 19.000 -0.119 0.000 0.822 120 A HN 0.512 nan 8.150 nan 0.000 0.443 121 Y N 0.644 120.975 120.300 0.051 0.000 2.128 121 Y HA -0.173 4.377 4.550 -0.000 0.000 0.284 121 Y C 2.689 178.600 175.900 0.019 0.000 1.154 121 Y CA 1.628 59.764 58.100 0.059 0.000 1.149 121 Y CB -0.517 38.061 38.460 0.197 0.000 0.976 121 Y HN 0.311 nan 8.280 nan 0.000 0.505 122 A N 0.263 123.109 122.820 0.043 0.000 1.933 122 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 122 A C 2.401 179.932 177.584 -0.087 0.000 1.175 122 A CA 1.795 53.800 52.037 -0.053 0.000 0.628 122 A CB -1.465 17.499 19.000 -0.059 0.000 0.814 122 A HN 0.615 nan 8.150 nan 0.000 0.444 123 A N -0.426 122.355 122.820 -0.066 0.000 1.902 123 A HA 0.113 4.433 4.320 -0.000 0.000 0.217 123 A C 2.407 179.932 177.584 -0.098 0.000 1.181 123 A CA 1.937 53.904 52.037 -0.117 0.000 0.623 123 A CB -1.358 17.558 19.000 -0.140 0.000 0.818 123 A HN 0.710 nan 8.150 nan 0.000 0.443 124 G N -0.562 108.193 108.800 -0.076 0.000 2.418 124 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.217 124 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.217 124 G C 1.519 176.376 174.900 -0.071 0.000 1.158 124 G CA 1.209 46.282 45.100 -0.045 0.000 0.771 124 G HN 0.308 nan 8.290 nan 0.000 0.545 125 V N 1.230 121.035 119.914 -0.183 0.000 2.255 125 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 125 V C 3.211 179.290 176.094 -0.025 0.000 1.051 125 V CA 2.035 64.253 62.300 -0.137 0.000 1.018 125 V CB -0.622 31.088 31.823 -0.188 0.000 0.641 125 V HN 0.418 nan 8.190 nan 0.000 0.445 126 V N -1.304 118.598 119.914 -0.019 0.000 2.667 126 V HA -0.174 3.945 4.120 -0.000 0.000 0.252 126 V C 2.220 178.341 176.094 0.046 0.000 1.065 126 V CA 2.139 64.456 62.300 0.028 0.000 1.083 126 V CB -0.673 31.176 31.823 0.043 0.000 0.692 126 V HN 0.646 nan 8.190 nan 0.000 0.468 127 E N 1.457 121.678 120.200 0.034 0.000 2.031 127 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 127 E C 2.229 178.896 176.600 0.110 0.000 0.994 127 E CA 1.739 58.183 56.400 0.075 0.000 0.800 127 E CB -0.501 29.259 29.700 0.099 0.000 0.752 127 E HN 0.650 nan 8.360 nan 0.000 0.447 128 A N 0.393 123.293 122.820 0.133 0.000 1.940 128 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 128 A C 2.361 180.055 177.584 0.183 0.000 1.176 128 A CA 1.896 54.057 52.037 0.208 0.000 0.631 128 A CB -0.906 18.257 19.000 0.271 0.000 0.814 128 A HN 0.347 nan 8.150 nan 0.000 0.446 129 S N -0.741 115.032 115.700 0.121 0.000 2.382 129 S HA -0.125 4.345 4.470 -0.000 0.000 0.228 129 S C 1.725 176.383 174.600 0.096 0.000 1.027 129 S CA 1.859 60.116 58.200 0.095 0.000 0.991 129 S CB -0.448 62.796 63.200 0.073 0.000 0.823 129 S HN 0.964 nan 8.310 nan 0.000 0.469 130 V N -0.141 119.832 119.914 0.099 0.000 3.621 130 V HA 0.402 4.522 4.120 -0.000 0.000 0.285 130 V C 1.002 177.154 176.094 0.097 0.000 1.346 130 V CA 0.819 63.173 62.300 0.090 0.000 1.104 130 V CB 0.313 32.185 31.823 0.081 0.000 0.913 130 V HN 0.509 nan 8.190 nan 0.000 0.432 131 S N -1.952 113.820 115.700 0.121 0.000 2.855 131 S HA 0.315 4.785 4.470 -0.000 0.000 0.249 131 S C 0.986 175.699 174.600 0.189 0.000 1.033 131 S CA 0.118 58.397 58.200 0.131 0.000 1.038 131 S CB 0.364 63.627 63.200 0.106 0.000 0.960 131 S HN 0.487 nan 8.310 nan 0.000 0.548 132 E N 1.993 122.324 120.200 0.218 0.000 2.070 132 E HA -0.224 4.126 4.350 -0.000 0.000 0.197 132 E C 1.537 178.345 176.600 0.348 0.000 1.004 132 E CA 2.076 58.672 56.400 0.326 0.000 0.805 132 E CB -0.100 29.706 29.700 0.177 0.000 0.744 132 E HN 0.639 nan 8.360 nan 0.000 0.451 133 E N 0.423 120.760 120.200 0.229 0.000 2.077 133 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 133 E C 2.074 178.845 176.600 0.285 0.000 0.989 133 E CA 0.859 57.403 56.400 0.240 0.000 0.800 133 E CB -0.151 29.640 29.700 0.153 0.000 0.746 133 E HN 0.231 nan 8.360 nan 0.000 0.452 134 L N 0.216 121.569 121.223 0.216 0.000 2.056 134 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 134 L C 2.313 179.306 176.870 0.205 0.000 1.078 134 L CA 0.875 55.826 54.840 0.185 0.000 0.749 134 L CB -0.309 41.823 42.059 0.122 0.000 0.901 134 L HN 0.166 nan 8.230 nan 0.000 0.433 135 I N -1.336 119.356 120.570 0.203 0.000 2.179 135 I HA -0.366 3.804 4.170 -0.000 0.000 0.242 135 I C 2.552 178.797 176.117 0.215 0.000 1.088 135 I CA 1.518 62.897 61.300 0.131 0.000 1.357 135 I CB -0.399 37.597 38.000 -0.007 0.000 1.051 135 I HN 0.207 nan 8.210 nan 0.000 0.409 136 Y N 1.537 121.988 120.300 0.252 0.000 2.097 136 Y HA -0.309 4.241 4.550 -0.000 0.000 0.282 136 Y C 2.539 178.597 175.900 0.264 0.000 1.152 136 Y CA 1.852 60.126 58.100 0.291 0.000 1.136 136 Y CB -0.306 38.333 38.460 0.298 0.000 0.975 136 Y HN 0.028 nan 8.280 nan 0.000 0.498 137 M N -1.302 118.379 119.600 0.135 0.000 2.117 137 M HA -0.212 4.267 4.480 -0.000 0.000 0.262 137 M C 2.172 178.512 176.300 0.067 0.000 1.065 137 M CA 1.996 57.320 55.300 0.039 0.000 1.114 137 M CB -0.652 32.047 32.600 0.164 0.000 1.361 137 M HN 0.348 nan 8.290 nan 0.000 0.408 138 H N -0.135 118.964 119.070 0.049 0.000 2.321 138 H HA -0.219 4.337 4.556 -0.000 0.000 0.300 138 H C 1.851 177.185 175.328 0.010 0.000 1.087 138 H CA 2.113 58.185 56.048 0.040 0.000 1.319 138 H CB -0.257 29.541 29.762 0.060 0.000 1.379 138 H HN 0.478 nan 8.280 nan 0.000 0.501 139 W N 0.464 121.678 121.300 -0.143 0.000 2.318 139 W HA -0.252 4.408 4.660 -0.000 0.000 0.313 139 W C 1.538 177.935 176.519 -0.204 0.000 1.221 139 W CA 1.567 58.797 57.345 -0.192 0.000 1.266 139 W CB -0.305 29.076 29.460 -0.132 0.000 1.150 139 W HN 0.265 nan 8.180 nan 0.000 0.496 140 M N 0.825 120.391 119.600 -0.056 0.000 2.117 140 M HA -0.210 4.270 4.480 -0.000 0.000 0.262 140 M C 1.492 177.696 176.300 -0.160 0.000 1.065 140 M CA 1.509 56.727 55.300 -0.137 0.000 1.114 140 M CB -1.813 30.641 32.600 -0.243 0.000 1.361 140 M HN -0.006 nan 8.290 nan 0.000 0.408 141 N N -0.055 118.548 118.700 -0.161 0.000 2.331 141 N HA -0.074 4.665 4.740 -0.000 0.000 0.180 141 N C 1.785 177.173 175.510 -0.203 0.000 1.019 141 N CA 1.954 54.918 53.050 -0.143 0.000 0.881 141 N CB -0.204 38.241 38.487 -0.070 0.000 0.972 141 N HN 0.574 nan 8.380 nan 0.000 0.435 142 T N -3.652 110.699 114.554 -0.338 0.000 3.075 142 T HA 0.116 4.466 4.350 -0.000 0.000 0.251 142 T C 1.419 175.877 174.700 -0.404 0.000 0.979 142 T CA 0.548 62.416 62.100 -0.387 0.000 1.033 142 T CB -0.263 68.257 68.868 -0.579 0.000 1.104 142 T HN -0.035 nan 8.240 nan 0.000 0.473 143 V N -0.845 118.720 119.914 -0.582 0.000 3.398 143 V HA 0.544 4.664 4.120 -0.000 0.000 0.298 143 V C 2.019 177.704 176.094 -0.683 0.000 1.496 143 V CA 0.104 62.009 62.300 -0.658 0.000 1.044 143 V CB -0.172 31.120 31.823 -0.885 0.000 0.880 143 V HN 0.209 nan 8.190 nan 0.000 0.443 144 V N 2.452 121.992 119.914 -0.624 0.000 2.453 144 V HA -0.201 3.919 4.120 -0.000 0.000 0.252 144 V C 2.039 178.099 176.094 -0.056 0.000 1.068 144 V CA 2.891 65.020 62.300 -0.286 0.000 1.070 144 V CB -0.505 31.282 31.823 -0.060 0.000 0.664 144 V HN 0.753 nan 8.190 nan 0.000 0.461 145 N N -1.539 117.131 118.700 -0.049 0.000 2.280 145 N HA 0.031 4.770 4.740 -0.000 0.000 0.192 145 N C 0.067 175.600 175.510 0.038 0.000 1.109 145 N CA -0.029 53.036 53.050 0.027 0.000 0.855 145 N CB 0.062 38.569 38.487 0.033 0.000 0.974 145 N HN 0.613 nan 8.380 nan 0.000 0.482 146 Y N 1.387 121.628 120.300 -0.098 0.000 2.587 146 Y HA 0.030 4.580 4.550 -0.000 0.000 0.344 146 Y C 0.817 176.713 175.900 -0.007 0.000 1.061 146 Y CA -0.332 57.731 58.100 -0.062 0.000 1.370 146 Y CB -0.008 38.377 38.460 -0.125 0.000 1.163 146 Y HN 0.134 nan 8.280 nan 0.000 0.527 147 c N 4.023 122.454 118.600 -0.282 0.000 4.365 147 c HA -0.192 4.378 4.570 -0.000 0.000 0.299 147 c C 1.375 175.446 174.090 -0.031 0.000 1.409 147 c CA 0.462 56.701 56.329 -0.149 0.000 2.007 147 c CB -2.269 40.172 42.510 -0.115 0.000 1.264 147 c HN 1.205 nan 8.230 nan 0.000 0.777 148 G N 1.151 109.944 108.800 -0.011 0.000 2.611 148 G HA2 0.437 4.397 3.960 -0.000 0.000 0.273 148 G HA3 0.437 4.397 3.960 -0.000 0.000 0.273 148 G C -0.162 174.684 174.900 -0.089 0.000 1.305 148 G CA 0.269 45.368 45.100 -0.002 0.000 1.010 148 G HN 0.310 nan 8.290 nan 0.000 0.509 149 P HA -0.074 nan 4.420 nan 0.000 0.218 149 P C 0.700 177.687 177.300 -0.523 0.000 1.148 149 P CA 1.309 64.112 63.100 -0.495 0.000 0.822 149 P CB 0.033 31.198 31.700 -0.891 0.000 0.784 150 F N -0.843 119.133 119.950 0.043 0.000 2.647 150 F HA 0.234 4.761 4.527 -0.000 0.000 0.300 150 F C 1.160 176.990 175.800 0.052 0.000 1.106 150 F CA -0.664 57.363 58.000 0.045 0.000 1.313 150 F CB 0.053 39.080 39.000 0.045 0.000 1.007 150 F HN -0.218 nan 8.300 nan 0.000 0.536 151 E N 0.797 121.075 120.200 0.129 0.000 2.376 151 E HA -0.123 4.226 4.350 -0.000 0.000 0.266 151 E C 0.533 177.210 176.600 0.128 0.000 1.009 151 E CA 0.176 56.638 56.400 0.103 0.000 0.902 151 E CB 0.668 30.376 29.700 0.013 0.000 0.972 151 E HN 0.508 nan 8.360 nan 0.000 0.439 152 Y N 4.074 124.393 120.300 0.031 0.000 2.220 152 Y HA -0.057 4.493 4.550 0.000 0.000 0.291 152 Y C 1.008 176.918 175.900 0.016 0.000 1.129 152 Y CA 1.047 59.162 58.100 0.025 0.000 1.161 152 Y CB 0.448 38.918 38.460 0.017 0.000 0.997 152 Y HN 0.484 nan 8.280 nan 0.000 0.522 153 E N 1.042 121.172 120.200 -0.117 0.000 1.814 153 E HA 0.072 4.421 4.350 -0.000 0.000 0.264 153 E C 0.505 177.048 176.600 -0.094 0.000 1.179 153 E CA -0.287 56.008 56.400 -0.175 0.000 0.972 153 E CB 0.871 30.556 29.700 -0.025 0.000 1.077 153 E HN 0.362 nan 8.360 nan 0.000 0.417 154 V N 3.003 122.823 119.914 -0.156 0.000 2.825 154 V HA 0.175 4.295 4.120 -0.000 0.000 0.246 154 V C 0.948 176.996 176.094 -0.078 0.000 1.068 154 V CA 1.748 63.986 62.300 -0.103 0.000 1.088 154 V CB -0.049 31.709 31.823 -0.109 0.000 0.733 154 V HN 0.930 nan 8.190 nan 0.000 0.468 155 G N -0.278 108.480 108.800 -0.071 0.000 2.754 155 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.241 155 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.241 155 G C 0.517 175.407 174.900 -0.017 0.000 1.281 155 G CA 0.691 45.756 45.100 -0.058 0.000 0.971 155 G HN 0.561 nan 8.290 nan 0.000 0.569 156 Y N 1.481 121.718 120.300 -0.104 0.000 2.165 156 Y HA -0.072 4.477 4.550 -0.000 0.000 0.286 156 Y C 3.177 179.029 175.900 -0.079 0.000 1.155 156 Y CA 2.940 60.984 58.100 -0.094 0.000 1.164 156 Y CB -0.806 37.587 38.460 -0.113 0.000 0.978 156 Y HN 0.599 nan 8.280 nan 0.000 0.513 157 c N 1.221 119.661 118.600 -0.266 0.000 2.429 157 c HA -0.192 4.378 4.570 -0.000 0.000 0.277 157 c C 2.747 176.691 174.090 -0.243 0.000 1.262 157 c CA 1.533 57.664 56.329 -0.329 0.000 1.733 157 c CB -1.264 41.157 42.510 -0.149 0.000 2.010 157 c HN 0.754 nan 8.230 nan 0.000 0.483 158 E N 1.300 121.407 120.200 -0.155 0.000 2.077 158 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 158 E C 1.990 178.531 176.600 -0.098 0.000 0.989 158 E CA 1.299 57.641 56.400 -0.098 0.000 0.800 158 E CB -0.252 29.409 29.700 -0.065 0.000 0.746 158 E HN 0.584 nan 8.360 nan 0.000 0.452 159 K N 0.581 120.902 120.400 -0.131 0.000 2.057 159 K HA -0.074 4.245 4.320 -0.000 0.000 0.207 159 K C 2.359 178.898 176.600 -0.102 0.000 1.049 159 K CA 1.072 57.303 56.287 -0.093 0.000 0.931 159 K CB -0.167 32.283 32.500 -0.084 0.000 0.714 159 K HN 0.217 nan 8.250 nan 0.000 0.440 160 L N 1.366 122.406 121.223 -0.304 0.000 1.994 160 L HA -0.229 4.110 4.340 -0.000 0.000 0.208 160 L C 2.574 179.429 176.870 -0.026 0.000 1.071 160 L CA 1.601 56.282 54.840 -0.264 0.000 0.745 160 L CB -0.319 41.415 42.059 -0.541 0.000 0.892 160 L HN 0.205 nan 8.230 nan 0.000 0.431 161 K N 0.261 120.630 120.400 -0.052 0.000 2.026 161 K HA -0.207 4.113 4.320 -0.000 0.000 0.208 161 K C 1.735 178.363 176.600 0.048 0.000 1.048 161 K CA 1.641 57.937 56.287 0.016 0.000 0.929 161 K CB -0.226 32.267 32.500 -0.011 0.000 0.713 161 K HN 0.385 nan 8.250 nan 0.000 0.439 162 N N 0.611 119.331 118.700 0.033 0.000 2.104 162 N HA -0.173 4.567 4.740 -0.000 0.000 0.190 162 N C 1.670 177.223 175.510 0.071 0.000 1.024 162 N CA 1.090 54.164 53.050 0.039 0.000 0.853 162 N CB -0.589 37.912 38.487 0.023 0.000 1.008 162 N HN 0.209 nan 8.380 nan 0.000 0.424 163 F N 1.436 121.372 119.950 -0.023 0.000 2.075 163 F HA -0.079 4.447 4.527 -0.000 0.000 0.297 163 F C 2.039 177.856 175.800 0.029 0.000 1.113 163 F CA 1.164 59.163 58.000 -0.001 0.000 1.218 163 F CB -0.170 38.825 39.000 -0.008 0.000 0.984 163 F HN -0.061 nan 8.300 nan 0.000 0.472 164 L N -0.030 121.389 121.223 0.326 0.000 2.056 164 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 164 L C 2.353 179.288 176.870 0.108 0.000 1.078 164 L CA 1.583 56.572 54.840 0.249 0.000 0.749 164 L CB -0.836 41.367 42.059 0.239 0.000 0.901 164 L HN 0.156 nan 8.230 nan 0.000 0.433 165 E N 0.287 120.530 120.200 0.071 0.000 2.085 165 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 165 E C 2.314 178.911 176.600 -0.005 0.000 0.994 165 E CA 1.268 57.687 56.400 0.031 0.000 0.801 165 E CB -0.193 29.520 29.700 0.022 0.000 0.743 165 E HN 0.501 nan 8.360 nan 0.000 0.453 166 A N 1.293 124.086 122.820 -0.045 0.000 1.902 166 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 166 A C 1.938 179.486 177.584 -0.060 0.000 1.181 166 A CA 1.851 53.842 52.037 -0.078 0.000 0.623 166 A CB -0.649 18.263 19.000 -0.147 0.000 0.818 166 A HN 0.209 nan 8.150 nan 0.000 0.443 167 N N -0.109 118.521 118.700 -0.115 0.000 2.106 167 N HA -0.080 4.660 4.740 -0.000 0.000 0.188 167 N C 1.557 177.137 175.510 0.117 0.000 1.029 167 N CA 1.579 54.626 53.050 -0.004 0.000 0.848 167 N CB -0.368 38.089 38.487 -0.051 0.000 1.007 167 N HN 0.431 nan 8.380 nan 0.000 0.423 168 L N 0.033 121.296 121.223 0.065 0.000 2.046 168 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 168 L C 2.398 179.233 176.870 -0.059 0.000 1.077 168 L CA 1.354 56.207 54.840 0.022 0.000 0.747 168 L CB -0.512 41.570 42.059 0.038 0.000 0.896 168 L HN 0.298 nan 8.230 nan 0.000 0.432 169 E N -0.308 119.870 120.200 -0.038 0.000 2.106 169 E HA -0.268 4.081 4.350 -0.000 0.000 0.192 169 E C 1.947 178.494 176.600 -0.088 0.000 0.984 169 E CA 1.187 57.541 56.400 -0.077 0.000 0.806 169 E CB -0.413 29.259 29.700 -0.046 0.000 0.750 169 E HN 0.418 nan 8.360 nan 0.000 0.458 170 W N 0.858 122.052 121.300 -0.177 0.000 2.335 170 W HA -0.164 4.496 4.660 -0.000 0.000 0.311 170 W C 2.005 178.355 176.519 -0.281 0.000 1.213 170 W CA 2.364 59.584 57.345 -0.207 0.000 1.274 170 W CB -0.405 28.947 29.460 -0.180 0.000 1.148 170 W HN 0.076 nan 8.180 nan 0.000 0.498 171 M N 0.200 119.497 119.600 -0.505 0.000 2.117 171 M HA -0.262 4.218 4.480 -0.000 0.000 0.262 171 M C 2.238 178.144 176.300 -0.657 0.000 1.065 171 M CA 1.528 56.405 55.300 -0.705 0.000 1.114 171 M CB -0.844 31.615 32.600 -0.234 0.000 1.361 171 M HN 0.027 nan 8.290 nan 0.000 0.408 172 Q N 0.038 119.557 119.800 -0.467 0.000 2.084 172 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 172 Q C 2.073 177.804 176.000 -0.447 0.000 0.978 172 Q CA 1.623 57.163 55.803 -0.440 0.000 0.844 172 Q CB -0.497 28.018 28.738 -0.372 0.000 0.898 172 Q HN 0.404 nan 8.270 nan 0.000 0.426 173 R N 0.988 121.212 120.500 -0.459 0.000 2.066 173 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 173 R C 2.029 177.978 176.300 -0.586 0.000 1.131 173 R CA 1.223 57.070 56.100 -0.423 0.000 0.955 173 R CB -0.063 30.055 30.300 -0.303 0.000 0.851 173 R HN 0.156 nan 8.270 nan 0.000 0.432 174 E N 0.097 119.715 120.200 -0.970 0.000 2.085 174 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 174 E C 2.004 177.955 176.600 -1.082 0.000 0.994 174 E CA 1.701 57.321 56.400 -1.300 0.000 0.801 174 E CB -0.222 27.988 29.700 -2.484 0.000 0.743 174 E HN 0.459 nan 8.360 nan 0.000 0.453 175 M N 0.623 119.725 119.600 -0.830 0.000 2.086 175 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 175 M C 2.329 178.458 176.300 -0.285 0.000 1.067 175 M CA 1.802 56.855 55.300 -0.412 0.000 1.116 175 M CB -0.339 32.106 32.600 -0.258 0.000 1.348 175 M HN 0.105 nan 8.290 nan 0.000 0.407 176 E N 0.658 120.681 120.200 -0.295 0.000 2.208 176 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 176 E C 1.719 178.208 176.600 -0.186 0.000 0.988 176 E CA 0.984 57.263 56.400 -0.202 0.000 0.828 176 E CB -0.372 29.219 29.700 -0.182 0.000 0.763 176 E HN 0.530 nan 8.360 nan 0.000 0.478 177 L N 0.612 121.686 121.223 -0.249 0.000 2.492 177 L HA 0.082 4.422 4.340 -0.000 0.000 0.223 177 L C 0.680 177.456 176.870 -0.157 0.000 1.132 177 L CA 0.247 54.970 54.840 -0.195 0.000 0.850 177 L CB -0.066 41.861 42.059 -0.221 0.000 0.966 177 L HN 0.134 nan 8.230 nan 0.000 0.454 178 N N -0.007 118.586 118.700 -0.178 0.000 2.672 178 N HA 0.157 4.897 4.740 -0.000 0.000 0.295 178 N C -1.989 173.512 175.510 -0.015 0.000 1.924 178 N CA -0.621 52.383 53.050 -0.078 0.000 0.851 178 N CB 0.976 39.424 38.487 -0.065 0.000 1.281 178 N HN 0.020 nan 8.380 nan 0.000 0.494 179 P HA -0.024 nan 4.420 nan 0.000 0.230 179 P C 0.225 177.537 177.300 0.021 0.000 1.158 179 P CA 1.089 64.188 63.100 -0.002 0.000 0.769 179 P CB 0.495 32.186 31.700 -0.015 0.000 0.807 180 D N -0.969 119.454 120.400 0.038 0.000 2.369 180 D HA 0.022 4.662 4.640 -0.000 0.000 0.211 180 D C 0.443 176.788 176.300 0.074 0.000 1.077 180 D CA 0.282 54.316 54.000 0.056 0.000 0.842 180 D CB 0.197 41.038 40.800 0.068 0.000 0.947 180 D HN 0.080 nan 8.370 nan 0.000 0.509 181 S N 1.772 117.535 115.700 0.106 0.000 2.455 181 S HA 0.148 4.618 4.470 -0.000 0.000 0.278 181 S C -1.527 173.126 174.600 0.089 0.000 1.216 181 S CA -1.339 56.957 58.200 0.159 0.000 1.055 181 S CB 1.475 64.884 63.200 0.349 0.000 0.939 181 S HN -0.189 nan 8.310 nan 0.000 0.494 182 P HA -0.128 nan 4.420 nan 0.000 0.215 182 P C 0.962 178.248 177.300 -0.023 0.000 1.153 182 P CA 1.012 64.055 63.100 -0.095 0.000 0.853 182 P CB -0.095 31.542 31.700 -0.106 0.000 0.788 183 Y N -1.108 119.116 120.300 -0.127 0.000 2.097 183 Y HA -0.213 4.337 4.550 -0.000 0.000 0.282 183 Y C 2.038 177.717 175.900 -0.368 0.000 1.152 183 Y CA 1.695 59.623 58.100 -0.287 0.000 1.136 183 Y CB -1.003 37.226 38.460 -0.386 0.000 0.975 183 Y HN -0.082 nan 8.280 nan 0.000 0.498 184 W N -1.245 120.064 121.300 0.014 0.000 2.519 184 W HA -0.074 4.586 4.660 0.000 0.000 0.266 184 W C 2.482 178.909 176.519 -0.153 0.000 1.253 184 W CA 1.217 58.491 57.345 -0.118 0.000 1.274 184 W CB -0.483 28.934 29.460 -0.072 0.000 1.114 184 W HN 0.244 nan 8.180 nan 0.000 0.596 185 H N 0.508 119.561 119.070 -0.029 0.000 2.321 185 H HA -0.173 4.382 4.556 -0.000 0.000 0.300 185 H C 2.195 177.410 175.328 -0.188 0.000 1.087 185 H CA 2.123 58.107 56.048 -0.107 0.000 1.319 185 H CB -0.183 29.490 29.762 -0.149 0.000 1.379 185 H HN -0.103 nan 8.280 nan 0.000 0.501 186 Q N 0.074 119.655 119.800 -0.365 0.000 2.096 186 Q HA -0.099 4.241 4.340 -0.000 0.000 0.204 186 Q C 2.706 178.444 176.000 -0.435 0.000 0.982 186 Q CA 1.322 56.862 55.803 -0.437 0.000 0.850 186 Q CB -0.709 27.793 28.738 -0.394 0.000 0.901 186 Q HN 0.420 nan 8.270 nan 0.000 0.422 187 V N 0.903 120.527 119.914 -0.483 0.000 2.295 187 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 187 V C 2.527 178.506 176.094 -0.192 0.000 1.049 187 V CA 1.964 64.030 62.300 -0.389 0.000 1.024 187 V CB -0.551 31.029 31.823 -0.404 0.000 0.648 187 V HN 0.299 nan 8.190 nan 0.000 0.447 188 R N -0.248 120.175 120.500 -0.129 0.000 2.091 188 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 188 R C 2.286 178.548 176.300 -0.063 0.000 1.136 188 R CA 1.559 57.645 56.100 -0.023 0.000 0.959 188 R CB -0.312 29.990 30.300 0.003 0.000 0.856 188 R HN 0.455 nan 8.270 nan 0.000 0.437 189 L N -0.346 120.707 121.223 -0.283 0.000 2.042 189 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 189 L C 2.366 179.161 176.870 -0.125 0.000 1.076 189 L CA 1.894 56.524 54.840 -0.349 0.000 0.749 189 L CB -0.784 40.851 42.059 -0.707 0.000 0.893 189 L HN 0.308 nan 8.230 nan 0.000 0.432 190 T N 0.274 114.779 114.554 -0.082 0.000 2.746 190 T HA -0.154 4.195 4.350 -0.000 0.000 0.267 190 T C 1.971 176.777 174.700 0.177 0.000 1.039 190 T CA 1.261 63.387 62.100 0.043 0.000 1.142 190 T CB -0.236 68.558 68.868 -0.124 0.000 0.866 190 T HN 0.201 nan 8.240 nan 0.000 0.444 191 L N 0.151 121.478 121.223 0.172 0.000 2.156 191 L HA 0.086 4.426 4.340 -0.000 0.000 0.208 191 L C 2.411 179.481 176.870 0.332 0.000 1.095 191 L CA 0.641 55.693 54.840 0.353 0.000 0.770 191 L CB -0.489 41.807 42.059 0.396 0.000 0.914 191 L HN 0.229 nan 8.230 nan 0.000 0.439 192 L N -0.490 120.836 121.223 0.173 0.000 2.046 192 L HA -0.264 4.076 4.340 -0.000 0.000 0.208 192 L C 2.722 179.652 176.870 0.100 0.000 1.077 192 L CA 1.342 56.176 54.840 -0.011 0.000 0.747 192 L CB -0.411 41.654 42.059 0.009 0.000 0.896 192 L HN 0.381 nan 8.230 nan 0.000 0.432 193 Q N -0.064 119.815 119.800 0.132 0.000 2.050 193 Q HA -0.266 4.073 4.340 -0.000 0.000 0.202 193 Q C 2.289 178.383 176.000 0.155 0.000 0.980 193 Q CA 1.663 57.547 55.803 0.134 0.000 0.840 193 Q CB -0.106 28.752 28.738 0.199 0.000 0.898 193 Q HN 0.350 nan 8.270 nan 0.000 0.424 194 L N 1.393 122.769 121.223 0.256 0.000 2.042 194 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 194 L C 2.270 179.260 176.870 0.199 0.000 1.076 194 L CA 2.023 57.031 54.840 0.281 0.000 0.749 194 L CB -0.568 41.730 42.059 0.398 0.000 0.893 194 L HN 0.136 nan 8.230 nan 0.000 0.432 195 K N -1.062 119.433 120.400 0.158 0.000 2.057 195 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 195 K C 2.000 178.597 176.600 -0.005 0.000 1.050 195 K CA 1.225 57.573 56.287 0.101 0.000 0.935 195 K CB -0.564 31.937 32.500 0.002 0.000 0.715 195 K HN 0.499 nan 8.250 nan 0.000 0.439 196 G N 1.816 110.469 108.800 -0.243 0.000 2.446 196 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 196 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 196 G C 1.437 176.173 174.900 -0.273 0.000 1.168 196 G CA 0.962 45.615 45.100 -0.744 0.000 0.771 196 G HN 0.316 nan 8.290 nan 0.000 0.551 197 L N 0.362 121.557 121.223 -0.047 0.000 2.012 197 L HA -0.022 4.318 4.340 -0.000 0.000 0.210 197 L C 2.682 179.661 176.870 0.182 0.000 1.073 197 L CA 2.677 57.602 54.840 0.141 0.000 0.748 197 L CB -0.420 41.798 42.059 0.264 0.000 0.891 197 L HN 0.436 nan 8.230 nan 0.000 0.431 198 E N -0.925 119.291 120.200 0.028 0.000 2.028 198 E HA -0.222 4.128 4.350 -0.000 0.000 0.190 198 E C 1.781 178.274 176.600 -0.179 0.000 0.984 198 E CA 1.304 57.491 56.400 -0.356 0.000 0.800 198 E CB -0.028 29.481 29.700 -0.318 0.000 0.758 198 E HN 0.509 nan 8.360 nan 0.000 0.448 199 D N -0.037 120.323 120.400 -0.066 0.000 2.106 199 D HA -0.191 4.449 4.640 -0.000 0.000 0.191 199 D C 1.987 178.285 176.300 -0.004 0.000 0.997 199 D CA 1.387 55.382 54.000 -0.008 0.000 0.834 199 D CB -0.644 40.208 40.800 0.087 0.000 0.956 199 D HN 0.060 nan 8.370 nan 0.000 0.448 200 S N -0.965 114.729 115.700 -0.009 0.000 2.359 200 S HA -0.238 4.232 4.470 -0.000 0.000 0.224 200 S C 2.045 176.682 174.600 0.061 0.000 1.035 200 S CA 0.972 59.185 58.200 0.022 0.000 1.018 200 S CB -0.591 62.622 63.200 0.021 0.000 0.876 200 S HN 0.341 nan 8.310 nan 0.000 0.448 201 Y N 1.757 122.050 120.300 -0.011 0.000 2.256 201 Y HA -0.082 4.468 4.550 -0.000 0.000 0.288 201 Y C 2.085 177.950 175.900 -0.058 0.000 1.155 201 Y CA 2.152 60.259 58.100 0.012 0.000 1.203 201 Y CB -0.197 38.317 38.460 0.090 0.000 0.980 201 Y HN 0.413 nan 8.280 nan 0.000 0.530 202 E N -0.964 119.212 120.200 -0.040 0.000 2.481 202 E HA 0.112 4.461 4.350 -0.000 0.000 0.195 202 E C 1.386 177.932 176.600 -0.090 0.000 1.047 202 E CA 0.478 56.822 56.400 -0.094 0.000 0.867 202 E CB -0.061 29.598 29.700 -0.068 0.000 0.858 202 E HN 0.598 nan 8.360 nan 0.000 0.513 203 G N 1.815 110.573 108.800 -0.071 0.000 2.143 203 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.248 203 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.248 203 G C 0.009 174.897 174.900 -0.020 0.000 0.991 203 G CA 0.155 45.224 45.100 -0.052 0.000 0.689 203 G HN 0.157 nan 8.290 nan 0.000 0.522 204 R N -0.558 119.941 120.500 -0.002 0.000 2.518 204 R HA 0.528 4.868 4.340 -0.000 0.000 0.296 204 R C -0.120 176.215 176.300 0.057 0.000 1.080 204 R CA -0.625 55.486 56.100 0.019 0.000 0.922 204 R CB 1.231 31.536 30.300 0.008 0.000 1.184 204 R HN 0.190 nan 8.270 nan 0.000 0.445 205 L N 1.988 123.261 121.223 0.084 0.000 2.275 205 L HA 0.555 4.895 4.340 -0.000 0.000 0.288 205 L C 0.149 177.106 176.870 0.145 0.000 1.046 205 L CA -0.442 54.502 54.840 0.173 0.000 0.805 205 L CB 1.880 44.050 42.059 0.185 0.000 1.193 205 L HN 0.510 nan 8.230 nan 0.000 0.426 206 T N 3.519 118.172 114.554 0.166 0.000 3.078 206 T HA 0.284 4.634 4.350 -0.000 0.000 0.328 206 T C -0.905 173.668 174.700 -0.212 0.000 0.987 206 T CA -0.425 61.682 62.100 0.011 0.000 1.049 206 T CB 0.200 69.070 68.868 0.003 0.000 1.011 206 T HN 0.275 nan 8.240 nan 0.000 0.463 207 F N 8.810 128.460 119.950 -0.499 0.000 2.502 207 F HA 0.534 5.061 4.527 0.000 0.000 0.371 207 F C -1.891 173.640 175.800 -0.448 0.000 1.083 207 F CA -2.015 55.499 58.000 -0.810 0.000 1.174 207 F CB 0.771 39.407 39.000 -0.607 0.000 1.096 207 F HN 0.353 nan 8.300 nan 0.000 0.545 208 P HA 0.205 nan 4.420 nan 0.000 0.292 208 P C 0.044 176.776 177.300 -0.947 0.000 1.287 208 P CA -0.374 62.276 63.100 -0.751 0.000 0.800 208 P CB 1.331 32.756 31.700 -0.459 0.000 0.945 209 T N -0.469 113.775 114.554 -0.516 0.000 3.037 209 T HA 0.289 4.639 4.350 -0.000 0.000 0.251 209 T C 1.003 175.609 174.700 -0.158 0.000 1.079 209 T CA 0.745 62.652 62.100 -0.322 0.000 1.067 209 T CB -0.099 68.686 68.868 -0.138 0.000 0.948 209 T HN 0.423 nan 8.240 nan 0.000 0.496 210 G N 1.806 110.535 108.800 -0.118 0.000 3.392 210 G HA2 0.529 4.489 3.960 -0.000 0.000 0.185 210 G HA3 0.529 4.489 3.960 -0.000 0.000 0.185 210 G C -0.567 174.337 174.900 0.008 0.000 1.206 210 G CA -1.042 44.026 45.100 -0.054 0.000 0.776 210 G HN 0.670 nan 8.290 nan 0.000 0.697 211 R N -0.606 119.875 120.500 -0.032 0.000 2.582 211 R HA 0.562 4.902 4.340 -0.000 0.000 0.271 211 R C -0.834 175.494 176.300 0.046 0.000 1.078 211 R CA -0.188 55.867 56.100 -0.075 0.000 1.127 211 R CB 0.491 30.703 30.300 -0.147 0.000 1.038 211 R HN 0.539 nan 8.270 nan 0.000 0.500 212 F N -2.153 117.741 119.950 -0.093 0.000 2.645 212 F HA 0.507 5.034 4.527 0.000 0.000 0.310 212 F C -1.338 174.441 175.800 -0.035 0.000 1.102 212 F CA -1.227 56.732 58.000 -0.069 0.000 0.952 212 F CB 1.889 40.844 39.000 -0.074 0.000 1.326 212 F HN 0.382 nan 8.300 nan 0.000 0.456 213 T N 4.039 118.689 114.554 0.160 0.000 2.758 213 T HA 0.508 4.858 4.350 -0.000 0.000 0.285 213 T C -0.323 174.481 174.700 0.174 0.000 0.981 213 T CA -0.411 61.733 62.100 0.074 0.000 0.965 213 T CB 0.713 69.607 68.868 0.044 0.000 0.927 213 T HN 0.381 nan 8.240 nan 0.000 0.448 214 I N 4.309 124.969 120.570 0.150 0.000 2.365 214 I HA 0.244 4.414 4.170 -0.000 0.000 0.291 214 I C 0.837 177.034 176.117 0.132 0.000 1.004 214 I CA -0.906 60.510 61.300 0.193 0.000 1.311 214 I CB 1.079 39.218 38.000 0.232 0.000 1.401 214 I HN 0.653 nan 8.210 nan 0.000 0.491 215 K N 7.005 127.478 120.400 0.122 0.000 2.350 215 K HA 0.306 4.626 4.320 -0.000 0.000 0.279 215 K C -2.173 174.507 176.600 0.134 0.000 1.027 215 K CA -1.210 55.139 56.287 0.104 0.000 0.969 215 K CB 0.498 33.044 32.500 0.077 0.000 0.954 215 K HN 0.205 nan 8.250 nan 0.000 0.474 216 P HA -0.129 nan 4.420 nan 0.000 0.218 216 P C 0.363 177.764 177.300 0.168 0.000 1.149 216 P CA 1.126 64.311 63.100 0.143 0.000 0.817 216 P CB 0.183 31.951 31.700 0.113 0.000 0.785 217 L N -2.510 118.820 121.223 0.177 0.000 3.066 217 L HA 0.375 4.715 4.340 -0.000 0.000 0.265 217 L C 1.400 178.479 176.870 0.348 0.000 1.232 217 L CA -0.493 54.490 54.840 0.237 0.000 1.031 217 L CB 0.120 42.303 42.059 0.206 0.000 1.379 217 L HN -0.033 nan 8.230 nan 0.000 0.563 218 G N -0.435 108.537 108.800 0.286 0.000 3.137 218 G HA2 0.034 3.994 3.960 -0.000 0.000 0.163 218 G HA3 0.034 3.994 3.960 -0.000 0.000 0.163 218 G C 0.534 175.738 174.900 0.507 0.000 1.602 218 G CA -0.204 45.060 45.100 0.273 0.000 1.067 218 G HN -0.059 nan 8.290 nan 0.000 0.568 219 F N 0.079 120.088 119.950 0.099 0.000 2.408 219 F HA 0.020 4.547 4.527 -0.000 0.000 0.300 219 F C 2.485 178.344 175.800 0.097 0.000 1.090 219 F CA -0.111 57.958 58.000 0.114 0.000 1.427 219 F CB -0.762 38.247 39.000 0.015 0.000 1.070 219 F HN 0.111 nan 8.300 nan 0.000 0.549 220 L N -0.281 121.106 121.223 0.274 0.000 2.081 220 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 220 L C 2.139 179.033 176.870 0.040 0.000 1.080 220 L CA 1.446 56.361 54.840 0.125 0.000 0.754 220 L CB -0.911 41.264 42.059 0.193 0.000 0.893 220 L HN 0.069 nan 8.230 nan 0.000 0.433 221 L N -0.832 120.471 121.223 0.134 0.000 2.083 221 L HA -0.177 4.162 4.340 -0.000 0.000 0.209 221 L C 2.288 179.101 176.870 -0.096 0.000 1.083 221 L CA 1.674 56.519 54.840 0.009 0.000 0.752 221 L CB -0.657 41.420 42.059 0.029 0.000 0.899 221 L HN 0.303 nan 8.230 nan 0.000 0.433 222 L N -1.067 120.149 121.223 -0.012 0.000 2.275 222 L HA -0.178 4.162 4.340 -0.000 0.000 0.215 222 L C 2.196 179.016 176.870 -0.083 0.000 1.119 222 L CA 0.560 55.361 54.840 -0.065 0.000 0.790 222 L CB -0.448 41.591 42.059 -0.033 0.000 0.919 222 L HN 0.378 nan 8.230 nan 0.000 0.443 223 Q N -0.011 119.664 119.800 -0.209 0.000 2.376 223 Q HA 0.076 4.416 4.340 -0.000 0.000 0.206 223 Q C 1.838 177.624 176.000 -0.358 0.000 0.921 223 Q CA 0.776 56.332 55.803 -0.412 0.000 0.911 223 Q CB 0.347 28.198 28.738 -1.479 0.000 1.032 223 Q HN 0.702 nan 8.270 nan 0.000 0.510 224 I N -1.704 118.722 120.570 -0.240 0.000 3.941 224 I HA 0.214 4.384 4.170 -0.000 0.000 0.335 224 I C 1.337 177.378 176.117 -0.126 0.000 1.402 224 I CA 0.023 61.264 61.300 -0.100 0.000 1.112 224 I CB 0.104 38.108 38.000 0.007 0.000 1.043 224 I HN -0.174 nan 8.210 nan 0.000 0.395 225 S N 1.484 117.077 115.700 -0.178 0.000 2.383 225 S HA -0.121 4.349 4.470 -0.000 0.000 0.229 225 S C 2.024 176.451 174.600 -0.287 0.000 1.030 225 S CA 1.339 59.389 58.200 -0.249 0.000 1.002 225 S CB -1.275 61.767 63.200 -0.262 0.000 0.829 225 S HN 0.602 nan 8.310 nan 0.000 0.467 226 G N 1.782 110.307 108.800 -0.459 0.000 2.402 226 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.216 226 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.216 226 G C 1.194 175.822 174.900 -0.453 0.000 1.162 226 G CA 0.892 45.355 45.100 -1.062 0.000 0.777 226 G HN 0.506 nan 8.290 nan 0.000 0.539 227 D N 0.427 120.742 120.400 -0.141 0.000 2.178 227 D HA -0.039 4.601 4.640 -0.000 0.000 0.202 227 D C 2.557 178.877 176.300 0.033 0.000 0.974 227 D CA 0.451 54.510 54.000 0.097 0.000 0.841 227 D CB 0.059 40.973 40.800 0.190 0.000 0.953 227 D HN 0.271 nan 8.370 nan 0.000 0.478 228 L N 1.072 122.270 121.223 -0.042 0.000 2.265 228 L HA -0.135 4.205 4.340 -0.000 0.000 0.215 228 L C 2.253 179.103 176.870 -0.033 0.000 1.117 228 L CA 0.800 55.617 54.840 -0.038 0.000 0.782 228 L CB -0.290 41.708 42.059 -0.102 0.000 0.914 228 L HN -0.022 nan 8.230 nan 0.000 0.441 229 E N -0.015 120.170 120.200 -0.024 0.000 2.160 229 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 229 E C 1.274 177.883 176.600 0.016 0.000 0.991 229 E CA 1.300 57.710 56.400 0.017 0.000 0.810 229 E CB 0.042 29.795 29.700 0.088 0.000 0.742 229 E HN 0.587 nan 8.360 nan 0.000 0.466 230 D N -0.225 120.190 120.400 0.025 0.000 2.379 230 D HA 0.039 4.679 4.640 -0.000 0.000 0.218 230 D C 2.063 178.163 176.300 -0.334 0.000 1.006 230 D CA 0.120 54.090 54.000 -0.049 0.000 0.893 230 D CB 0.266 41.215 40.800 0.247 0.000 1.019 230 D HN 0.130 nan 8.370 nan 0.000 0.503 231 L N 1.324 122.432 121.223 -0.192 0.000 2.093 231 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 231 L C 2.342 179.090 176.870 -0.203 0.000 1.085 231 L CA 1.105 55.791 54.840 -0.257 0.000 0.755 231 L CB -0.170 41.768 42.059 -0.202 0.000 0.904 231 L HN -0.023 nan 8.230 nan 0.000 0.435 232 E N 0.185 120.299 120.200 -0.144 0.000 2.005 232 E HA -0.222 4.128 4.350 -0.000 0.000 0.198 232 E C -0.646 175.756 176.600 -0.329 0.000 1.010 232 E CA 1.674 57.948 56.400 -0.209 0.000 0.825 232 E CB -1.063 28.480 29.700 -0.262 0.000 0.769 232 E HN 0.420 nan 8.360 nan 0.000 0.456 233 P HA -0.173 nan 4.420 nan 0.000 0.218 233 P C 1.021 177.801 177.300 -0.865 0.000 1.148 233 P CA 1.697 64.468 63.100 -0.548 0.000 0.822 233 P CB 0.012 31.415 31.700 -0.496 0.000 0.784 234 A N -0.174 121.950 122.820 -1.159 0.000 2.019 234 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 234 A C 2.111 179.500 177.584 -0.324 0.000 1.164 234 A CA 1.059 52.584 52.037 -0.853 0.000 0.644 234 A CB -1.286 17.372 19.000 -0.571 0.000 0.805 234 A HN 0.196 nan 8.150 nan 0.000 0.449 235 L N -0.713 120.371 121.223 -0.231 0.000 2.741 235 L HA 0.145 4.485 4.340 -0.000 0.000 0.237 235 L C -0.199 176.673 176.870 0.003 0.000 1.178 235 L CA -0.300 54.510 54.840 -0.050 0.000 0.973 235 L CB -0.272 41.807 42.059 0.033 0.000 1.255 235 L HN 0.335 nan 8.230 nan 0.000 0.498 236 N N 0.925 119.569 118.700 -0.093 0.000 2.754 236 N HA -0.211 4.529 4.740 -0.000 0.000 0.248 236 N C 0.261 175.732 175.510 -0.065 0.000 1.093 236 N CA 0.856 53.867 53.050 -0.066 0.000 0.699 236 N CB -0.970 37.507 38.487 -0.017 0.000 1.016 236 N HN 0.453 nan 8.380 nan 0.000 0.552 237 K N 1.469 121.779 120.400 -0.151 0.000 2.412 237 K HA 0.127 4.447 4.320 -0.000 0.000 0.281 237 K C 1.063 177.553 176.600 -0.183 0.000 1.027 237 K CA 0.072 56.196 56.287 -0.272 0.000 0.989 237 K CB 0.610 32.674 32.500 -0.727 0.000 0.935 237 K HN 0.261 nan 8.250 nan 0.000 0.475 251 A N 1.471 124.299 122.820 0.013 0.000 2.475 251 A HA 0.938 5.257 4.320 -0.000 0.000 0.301 251 A C -1.871 175.684 177.584 -0.047 0.000 1.059 251 A CA -0.609 51.450 52.037 0.037 0.000 0.710 251 A CB 1.543 20.601 19.000 0.096 0.000 1.288 251 A HN 0.893 nan 8.150 nan 0.000 0.408 252 L N 1.987 123.221 121.223 0.018 0.000 2.464 252 L HA 0.730 5.070 4.340 -0.000 0.000 0.266 252 L C -1.574 175.329 176.870 0.054 0.000 0.965 252 L CA -0.184 54.626 54.840 -0.049 0.000 0.833 252 L CB 1.587 43.646 42.059 0.001 0.000 1.296 252 L HN 0.611 nan 8.230 nan 0.000 0.405 253 I N 4.440 125.047 120.570 0.062 0.000 2.362 253 I HA 0.471 4.641 4.170 -0.000 0.000 0.289 253 I C -0.653 175.499 176.117 0.058 0.000 0.994 253 I CA -0.663 60.667 61.300 0.049 0.000 1.158 253 I CB 1.576 39.587 38.000 0.020 0.000 1.315 253 I HN 0.472 nan 8.210 nan 0.000 0.451 254 K N 6.513 126.930 120.400 0.028 0.000 2.463 254 K HA 0.450 4.770 4.320 -0.000 0.000 0.255 254 K C -1.476 175.102 176.600 -0.035 0.000 0.942 254 K CA -0.608 55.696 56.287 0.029 0.000 0.814 254 K CB 1.206 33.727 32.500 0.035 0.000 1.122 254 K HN 0.352 nan 8.250 nan 0.000 0.425 255 L N 6.163 127.349 121.223 -0.063 0.000 2.325 255 L HA 0.348 4.688 4.340 -0.000 0.000 0.284 255 L C -0.648 176.195 176.870 -0.046 0.000 1.089 255 L CA -0.061 54.712 54.840 -0.112 0.000 0.836 255 L CB -0.022 41.909 42.059 -0.213 0.000 1.184 255 L HN 0.702 nan 8.230 nan 0.000 0.444 256 L N 6.638 127.855 121.223 -0.011 0.000 2.473 256 L HA 0.230 4.570 4.340 -0.000 0.000 0.268 256 L C -1.740 175.102 176.870 -0.047 0.000 1.215 256 L CA -1.813 53.032 54.840 0.009 0.000 0.823 256 L CB -0.011 42.094 42.059 0.076 0.000 1.099 256 L HN 0.483 nan 8.230 nan 0.000 0.483 257 P HA -0.023 nan 4.420 nan 0.000 0.264 257 P C 0.621 177.663 177.300 -0.429 0.000 1.183 257 P CA 0.784 63.794 63.100 -0.151 0.000 0.763 257 P CB 0.477 32.127 31.700 -0.084 0.000 0.807 258 G N 2.627 111.224 108.800 -0.338 0.000 2.166 258 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.260 258 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.260 258 G C 0.867 175.607 174.900 -0.266 0.000 0.986 258 G CA 0.571 45.428 45.100 -0.406 0.000 0.683 258 G HN 1.060 nan 8.290 nan 0.000 0.527 259 G N -1.277 107.450 108.800 -0.122 0.000 2.225 259 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.267 259 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.267 259 G C 0.752 175.776 174.900 0.207 0.000 1.024 259 G CA 1.496 46.651 45.100 0.091 0.000 0.784 259 G HN 1.030 nan 8.290 nan 0.000 0.507 260 H N -0.989 118.169 119.070 0.146 0.000 2.421 260 H HA 0.129 4.684 4.556 -0.000 0.000 0.298 260 H C 1.177 176.632 175.328 0.213 0.000 1.087 260 H CA 1.132 57.259 56.048 0.131 0.000 1.330 260 H CB 0.366 30.180 29.762 0.087 0.000 1.388 260 H HN 0.467 nan 8.280 nan 0.000 0.526 261 D N -0.873 119.739 120.400 0.353 0.000 2.615 261 D HA 0.208 4.847 4.640 -0.000 0.000 0.267 261 D C -1.795 174.498 176.300 -0.011 0.000 1.236 261 D CA -0.766 53.389 54.000 0.258 0.000 0.839 261 D CB 2.036 42.949 40.800 0.188 0.000 1.380 261 D HN -0.078 nan 8.370 nan 0.000 0.433 262 L N 2.006 123.066 121.223 -0.270 0.000 2.406 262 L HA 0.533 4.873 4.340 -0.000 0.000 0.270 262 L C -1.561 175.308 176.870 -0.002 0.000 0.982 262 L CA -0.345 54.288 54.840 -0.344 0.000 0.843 262 L CB 1.016 42.544 42.059 -0.885 0.000 1.225 262 L HN 0.353 nan 8.230 nan 0.000 0.412 263 L N 5.434 126.668 121.223 0.019 0.000 2.322 263 L HA 0.759 5.099 4.340 -0.000 0.000 0.279 263 L C -0.818 176.113 176.870 0.102 0.000 1.036 263 L CA -1.053 53.847 54.840 0.099 0.000 0.807 263 L CB 2.005 44.111 42.059 0.080 0.000 1.226 263 L HN 0.289 nan 8.230 nan 0.000 0.433 264 V N 1.848 121.866 119.914 0.173 0.000 2.482 264 V HA 0.748 4.868 4.120 -0.000 0.000 0.295 264 V C -0.264 175.995 176.094 0.275 0.000 1.026 264 V CA -0.431 61.983 62.300 0.192 0.000 0.856 264 V CB 1.563 33.493 31.823 0.178 0.000 1.001 264 V HN 0.887 nan 8.190 nan 0.000 0.424 265 A N 3.408 126.361 122.820 0.221 0.000 2.454 265 A HA 0.924 5.244 4.320 -0.000 0.000 0.302 265 A C -1.200 176.507 177.584 0.205 0.000 1.079 265 A CA -0.533 51.603 52.037 0.165 0.000 0.731 265 A CB 1.967 21.031 19.000 0.107 0.000 1.299 265 A HN 0.930 nan 8.150 nan 0.000 0.413 266 H N 1.814 120.865 119.070 -0.032 0.000 2.954 266 H HA 0.413 4.969 4.556 -0.000 0.000 0.361 266 H C -1.809 173.515 175.328 -0.007 0.000 1.122 266 H CA -0.424 55.633 56.048 0.016 0.000 1.217 266 H CB 1.809 31.624 29.762 0.089 0.000 1.776 266 H HN 0.844 nan 8.280 nan 0.000 0.533 267 N N 3.564 122.050 118.700 -0.357 0.000 2.540 267 N HA 0.058 4.798 4.740 -0.000 0.000 0.275 267 N C -1.100 174.343 175.510 -0.112 0.000 1.053 267 N CA -0.309 52.693 53.050 -0.080 0.000 0.876 267 N CB 1.808 40.349 38.487 0.089 0.000 1.284 267 N HN 0.569 nan 8.380 nan 0.000 0.518 268 T N 2.601 117.211 114.554 0.094 0.000 2.851 268 T HA 0.275 4.625 4.350 -0.000 0.000 0.298 268 T C -0.717 174.196 174.700 0.355 0.000 0.977 268 T CA -0.130 62.111 62.100 0.236 0.000 1.126 268 T CB 0.066 69.166 68.868 0.387 0.000 0.916 268 T HN 0.382 nan 8.240 nan 0.000 0.529 269 W N 4.832 126.120 121.300 -0.020 0.000 2.391 269 W HA 0.667 5.327 4.660 -0.000 0.000 0.311 269 W C 0.387 176.787 176.519 -0.199 0.000 1.087 269 W CA -0.827 56.452 57.345 -0.110 0.000 1.209 269 W CB 0.653 30.099 29.460 -0.023 0.000 1.273 269 W HN 0.682 nan 8.180 nan 0.000 0.482 270 N N 0.051 118.576 118.700 -0.292 0.000 3.020 270 N HA 0.307 5.047 4.740 -0.000 0.000 0.248 270 N C -1.144 173.977 175.510 -0.649 0.000 1.480 270 N CA -0.649 52.198 53.050 -0.340 0.000 0.874 270 N CB 1.657 40.119 38.487 -0.042 0.000 1.433 270 N HN 0.067 nan 8.380 nan 0.000 0.530 271 S N 0.572 116.084 115.700 -0.312 0.000 2.562 271 S HA 0.136 4.606 4.470 -0.000 0.000 0.281 271 S C 1.152 175.663 174.600 -0.148 0.000 1.333 271 S CA -0.198 57.850 58.200 -0.253 0.000 1.052 271 S CB 0.040 63.188 63.200 -0.087 0.000 0.884 271 S HN 0.466 nan 8.310 nan 0.000 0.506 272 Y N 1.269 121.379 120.300 -0.316 0.000 2.333 272 Y HA -0.230 4.320 4.550 -0.000 0.000 0.290 272 Y C 2.712 178.689 175.900 0.129 0.000 1.144 272 Y CA 0.643 58.535 58.100 -0.346 0.000 1.228 272 Y CB -0.131 37.805 38.460 -0.874 0.000 0.985 272 Y HN 0.755 nan 8.280 nan 0.000 0.542 273 Q N 0.176 120.188 119.800 0.353 0.000 2.437 273 Q HA -0.156 4.184 4.340 -0.000 0.000 0.210 273 Q C 0.596 176.707 176.000 0.185 0.000 0.972 273 Q CA 1.362 57.343 55.803 0.296 0.000 0.903 273 Q CB -0.476 28.343 28.738 0.134 0.000 0.967 273 Q HN 0.390 nan 8.270 nan 0.000 0.486 274 N N 0.301 119.091 118.700 0.151 0.000 2.398 274 N HA 0.145 4.885 4.740 -0.000 0.000 0.188 274 N C 0.191 175.926 175.510 0.375 0.000 1.122 274 N CA 0.360 53.547 53.050 0.229 0.000 0.866 274 N CB 0.240 38.779 38.487 0.087 0.000 0.970 274 N HN 0.283 nan 8.380 nan 0.000 0.462 275 M N 0.772 120.514 119.600 0.235 0.000 3.131 275 M HA 0.133 4.613 4.480 -0.000 0.000 0.213 275 M C -0.599 175.849 176.300 0.245 0.000 1.307 275 M CA 0.264 55.626 55.300 0.104 0.000 1.263 275 M CB -0.274 32.148 32.600 -0.295 0.000 1.419 275 M HN -0.045 nan 8.290 nan 0.000 0.446 276 L N 1.635 123.023 121.223 0.275 0.000 2.257 276 L HA 0.436 4.776 4.340 -0.000 0.000 0.290 276 L C -0.046 176.821 176.870 -0.004 0.000 1.044 276 L CA -0.580 54.360 54.840 0.167 0.000 0.810 276 L CB 0.504 42.676 42.059 0.187 0.000 1.193 276 L HN 0.239 nan 8.230 nan 0.000 0.425 277 R N 5.009 125.473 120.500 -0.060 0.000 2.599 277 R HA 0.686 5.026 4.340 -0.000 0.000 0.295 277 R C -0.874 175.445 176.300 0.031 0.000 0.963 277 R CA -0.676 55.334 56.100 -0.151 0.000 0.883 277 R CB 2.221 32.321 30.300 -0.334 0.000 1.171 277 R HN 0.517 nan 8.270 nan 0.000 0.450 278 I N 3.724 124.293 120.570 -0.002 0.000 2.499 278 I HA 0.419 4.589 4.170 -0.000 0.000 0.288 278 I C 0.014 176.112 176.117 -0.033 0.000 1.048 278 I CA -0.806 60.516 61.300 0.036 0.000 1.062 278 I CB 2.105 40.079 38.000 -0.044 0.000 1.238 278 I HN 0.348 nan 8.210 nan 0.000 0.426 279 I N 6.368 126.937 120.570 -0.002 0.000 2.371 279 I HA 0.230 4.400 4.170 -0.000 0.000 0.290 279 I C -0.005 175.982 176.117 -0.216 0.000 1.028 279 I CA -0.093 61.105 61.300 -0.170 0.000 1.345 279 I CB 0.577 38.434 38.000 -0.238 0.000 1.407 279 I HN 0.447 nan 8.210 nan 0.000 0.501 280 K N 6.539 126.594 120.400 -0.575 0.000 2.292 280 K HA 0.473 4.793 4.320 -0.000 0.000 0.257 280 K C -0.704 175.523 176.600 -0.621 0.000 0.940 280 K CA -0.963 54.878 56.287 -0.743 0.000 0.811 280 K CB 2.270 34.053 32.500 -1.195 0.000 1.120 280 K HN 0.375 nan 8.250 nan 0.000 0.428 281 K N 3.770 123.973 120.400 -0.329 0.000 2.450 281 K HA 0.269 4.589 4.320 -0.000 0.000 0.257 281 K C -1.433 175.250 176.600 0.139 0.000 0.953 281 K CA -0.474 55.771 56.287 -0.069 0.000 0.844 281 K CB 0.868 33.389 32.500 0.035 0.000 1.103 281 K HN 0.611 nan 8.250 nan 0.000 0.429 282 Y N 3.043 123.379 120.300 0.060 0.000 2.341 282 Y HA 0.382 4.932 4.550 -0.000 0.000 0.337 282 Y C 0.187 176.074 175.900 -0.021 0.000 1.014 282 Y CA -1.358 56.760 58.100 0.029 0.000 1.111 282 Y CB 1.944 40.482 38.460 0.131 0.000 1.194 282 Y HN 0.314 nan 8.280 nan 0.000 0.462 283 R N 4.985 125.510 120.500 0.041 0.000 2.352 283 R HA 0.426 4.766 4.340 -0.000 0.000 0.304 283 R C -1.200 175.001 176.300 -0.166 0.000 1.104 283 R CA -0.369 55.708 56.100 -0.039 0.000 0.991 283 R CB 1.025 31.311 30.300 -0.023 0.000 1.140 283 R HN 0.568 nan 8.270 nan 0.000 0.540 284 L N 1.306 122.391 121.223 -0.229 0.000 2.376 284 L HA 0.444 4.784 4.340 -0.000 0.000 0.267 284 L C 0.681 177.391 176.870 -0.266 0.000 1.035 284 L CA -0.980 53.597 54.840 -0.438 0.000 0.800 284 L CB 1.036 42.516 42.059 -0.965 0.000 1.290 284 L HN 0.325 nan 8.230 nan 0.000 0.462 285 Q N 0.883 120.562 119.800 -0.202 0.000 2.333 285 Q HA 0.387 4.727 4.340 -0.000 0.000 0.365 285 Q C -0.857 175.278 176.000 0.225 0.000 0.882 285 Q CA -0.060 55.758 55.803 0.024 0.000 1.124 285 Q CB 0.640 29.423 28.738 0.075 0.000 1.345 285 Q HN 0.448 nan 8.270 nan 0.000 0.409 286 F N 1.195 121.174 119.950 0.049 0.000 2.410 286 F HA 0.331 4.858 4.527 -0.000 0.000 0.334 286 F C 1.237 177.086 175.800 0.083 0.000 1.134 286 F CA -0.483 57.556 58.000 0.064 0.000 1.227 286 F CB 0.913 39.930 39.000 0.029 0.000 1.194 286 F HN -0.158 nan 8.300 nan 0.000 0.571 287 R N 1.350 122.038 120.500 0.313 0.000 2.758 287 R HA 0.221 4.561 4.340 -0.000 0.000 0.265 287 R C 0.474 176.874 176.300 0.166 0.000 1.016 287 R CA -0.841 55.386 56.100 0.211 0.000 1.040 287 R CB 1.411 31.819 30.300 0.178 0.000 1.152 287 R HN 0.675 nan 8.270 nan 0.000 0.503 288 E N 0.277 120.534 120.200 0.094 0.000 2.150 288 E HA -0.038 4.311 4.350 -0.000 0.000 0.193 288 E C 0.762 177.195 176.600 -0.278 0.000 0.985 288 E CA 0.950 57.344 56.400 -0.009 0.000 0.814 288 E CB 0.223 29.964 29.700 0.070 0.000 0.752 288 E HN 0.650 nan 8.360 nan 0.000 0.466 289 G N -0.188 108.155 108.800 -0.761 0.000 2.730 289 G HA2 0.243 4.203 3.960 -0.000 0.000 0.289 289 G HA3 0.243 4.203 3.960 -0.000 0.000 0.289 289 G C -2.428 171.843 174.900 -1.047 0.000 1.341 289 G CA -1.076 43.230 45.100 -1.322 0.000 0.932 289 G HN -0.229 nan 8.290 nan 0.000 0.481 290 P HA 0.015 nan 4.420 nan 0.000 0.239 290 P C 0.009 177.183 177.300 -0.210 0.000 1.184 290 P CA 0.732 63.418 63.100 -0.690 0.000 0.760 290 P CB 0.401 31.906 31.700 -0.326 0.000 0.884 291 Q N -0.743 119.075 119.800 0.030 0.000 2.306 291 Q HA 0.255 4.595 4.340 -0.000 0.000 0.265 291 Q C 0.850 176.947 176.000 0.161 0.000 1.022 291 Q CA -0.433 55.446 55.803 0.126 0.000 0.853 291 Q CB 1.158 29.985 28.738 0.150 0.000 1.327 291 Q HN -0.269 nan 8.270 nan 0.000 0.449 292 E N 0.825 121.079 120.200 0.090 0.000 2.333 292 E HA -0.187 4.163 4.350 -0.000 0.000 0.198 292 E C 0.388 177.034 176.600 0.076 0.000 1.007 292 E CA 1.091 57.541 56.400 0.083 0.000 0.845 292 E CB 0.305 30.037 29.700 0.054 0.000 0.766 292 E HN 0.560 nan 8.360 nan 0.000 0.507 293 E N -1.152 119.075 120.200 0.045 0.000 2.358 293 E HA -0.031 4.319 4.350 -0.000 0.000 0.195 293 E C -0.408 176.157 176.600 -0.059 0.000 1.010 293 E CA 0.198 56.581 56.400 -0.028 0.000 0.856 293 E CB -0.102 29.540 29.700 -0.096 0.000 0.795 293 E HN 0.328 nan 8.360 nan 0.000 0.504 294 Y N 0.970 121.268 120.300 -0.003 0.000 2.480 294 Y HA 0.105 4.655 4.550 -0.000 0.000 0.338 294 Y C -1.738 174.177 175.900 0.024 0.000 1.220 294 Y CA -2.302 55.801 58.100 0.006 0.000 1.430 294 Y CB 0.178 38.634 38.460 -0.007 0.000 1.311 294 Y HN -0.031 nan 8.280 nan 0.000 0.575 295 P HA 0.043 nan 4.420 nan 0.000 0.272 295 P C -0.715 176.675 177.300 0.150 0.000 1.223 295 P CA -0.309 62.872 63.100 0.135 0.000 0.784 295 P CB 0.531 32.297 31.700 0.109 0.000 0.923 296 L N 1.293 122.587 121.223 0.118 0.000 2.525 296 L HA 0.019 4.359 4.340 -0.000 0.000 0.278 296 L C 0.879 177.813 176.870 0.108 0.000 1.218 296 L CA -0.296 54.614 54.840 0.117 0.000 0.878 296 L CB -0.145 41.968 42.059 0.091 0.000 1.127 296 L HN 0.232 nan 8.230 nan 0.000 0.492 297 V N 1.220 121.205 119.914 0.119 0.000 3.032 297 V HA 0.072 4.192 4.120 -0.000 0.000 0.307 297 V C 1.276 177.410 176.094 0.068 0.000 1.097 297 V CA 0.290 62.647 62.300 0.095 0.000 1.191 297 V CB 0.581 32.469 31.823 0.109 0.000 0.964 297 V HN 0.951 nan 8.190 nan 0.000 0.494 298 A N 2.758 125.611 122.820 0.055 0.000 2.015 298 A HA 0.241 4.561 4.320 -0.000 0.000 0.219 298 A C 1.750 179.358 177.584 0.040 0.000 1.163 298 A CA 1.253 53.318 52.037 0.046 0.000 0.646 298 A CB -0.782 18.245 19.000 0.044 0.000 0.806 298 A HN 1.644 nan 8.150 nan 0.000 0.448 299 G N -0.816 108.007 108.800 0.038 0.000 4.486 299 G HA2 0.252 4.212 3.960 -0.000 0.000 0.306 299 G HA3 0.252 4.212 3.960 -0.000 0.000 0.306 299 G C 0.300 175.215 174.900 0.024 0.000 1.331 299 G CA -0.257 44.863 45.100 0.033 0.000 1.113 299 G HN 0.248 nan 8.290 nan 0.000 0.594 300 N N 0.730 119.436 118.700 0.010 0.000 2.354 300 N HA -0.023 4.717 4.740 -0.000 0.000 0.179 300 N C 0.121 175.623 175.510 -0.013 0.000 1.021 300 N CA 0.485 53.509 53.050 -0.042 0.000 0.887 300 N CB 0.229 38.691 38.487 -0.043 0.000 0.974 300 N HN 0.256 nan 8.380 nan 0.000 0.437 301 N N 0.904 119.624 118.700 0.032 0.000 2.400 301 N HA 0.398 5.138 4.740 -0.000 0.000 0.288 301 N C -0.489 175.084 175.510 0.105 0.000 1.024 301 N CA -0.319 52.771 53.050 0.067 0.000 0.894 301 N CB 1.952 40.471 38.487 0.053 0.000 1.173 301 N HN 0.099 nan 8.380 nan 0.000 0.487 302 L N -1.657 119.665 121.223 0.165 0.000 2.556 302 L HA 0.763 5.103 4.340 -0.000 0.000 0.257 302 L C -1.398 175.630 176.870 0.262 0.000 0.955 302 L CA -1.045 53.928 54.840 0.220 0.000 0.850 302 L CB 1.709 43.918 42.059 0.250 0.000 1.398 302 L HN 0.027 nan 8.230 nan 0.000 0.412 303 V N 2.523 122.593 119.914 0.259 0.000 2.656 303 V HA 0.776 4.896 4.120 -0.000 0.000 0.307 303 V C -0.685 175.572 176.094 0.272 0.000 1.051 303 V CA -0.351 62.051 62.300 0.169 0.000 0.893 303 V CB 1.564 33.447 31.823 0.099 0.000 0.999 303 V HN 0.793 nan 8.190 nan 0.000 0.426 304 F N 1.128 121.040 119.950 -0.063 0.000 2.678 304 F HA 0.757 5.283 4.527 -0.000 0.000 0.308 304 F C -0.128 175.587 175.800 -0.141 0.000 1.118 304 F CA -0.984 56.934 58.000 -0.136 0.000 0.959 304 F CB 1.330 40.130 39.000 -0.332 0.000 1.305 304 F HN 0.416 nan 8.300 nan 0.000 0.443 305 S N 1.451 117.141 115.700 -0.016 0.000 2.548 305 S HA 0.700 5.170 4.470 -0.000 0.000 0.277 305 S C -0.324 174.223 174.600 -0.088 0.000 1.315 305 S CA -0.009 58.134 58.200 -0.096 0.000 1.050 305 S CB 1.421 64.618 63.200 -0.006 0.000 0.918 305 S HN 1.048 nan 8.310 nan 0.000 0.497 306 S N 1.276 116.846 115.700 -0.217 0.000 2.929 306 S HA 0.765 5.235 4.470 -0.000 0.000 0.311 306 S C -2.125 172.156 174.600 -0.532 0.000 1.213 306 S CA -0.713 57.364 58.200 -0.205 0.000 0.908 306 S CB 0.384 63.549 63.200 -0.059 0.000 1.287 306 S HN 0.755 nan 8.310 nan 0.000 0.594 307 Y N 0.094 120.338 120.300 -0.093 0.000 2.597 307 Y HA 0.498 5.048 4.550 0.000 0.000 0.340 307 Y C -2.623 173.139 175.900 -0.230 0.000 1.097 307 Y CA -1.921 56.040 58.100 -0.232 0.000 1.037 307 Y CB 1.263 39.549 38.460 -0.290 0.000 1.305 307 Y HN 0.397 nan 8.280 nan 0.000 0.463 308 P HA 0.147 nan 4.420 nan 0.000 0.267 308 P C 0.588 177.864 177.300 -0.041 0.000 1.205 308 P CA 1.629 64.682 63.100 -0.079 0.000 0.765 308 P CB 0.496 32.164 31.700 -0.054 0.000 0.828 309 G N 1.911 110.693 108.800 -0.031 0.000 2.184 309 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.264 309 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.264 309 G C 0.093 174.979 174.900 -0.024 0.000 0.975 309 G CA 0.175 45.197 45.100 -0.130 0.000 0.642 309 G HN 0.578 nan 8.290 nan 0.000 0.536 310 T N 1.112 115.719 114.554 0.088 0.000 2.756 310 T HA 0.519 4.869 4.350 -0.000 0.000 0.290 310 T C 1.398 176.290 174.700 0.319 0.000 0.985 310 T CA 0.017 62.215 62.100 0.163 0.000 0.955 310 T CB 1.066 70.001 68.868 0.111 0.000 0.930 310 T HN 0.749 nan 8.240 nan 0.000 0.451 311 I N 0.813 121.652 120.570 0.448 0.000 3.826 311 I HA 0.474 4.644 4.170 -0.000 0.000 0.319 311 I C -0.415 176.151 176.117 0.748 0.000 1.394 311 I CA -0.516 61.147 61.300 0.605 0.000 1.197 311 I CB -0.615 37.703 38.000 0.530 0.000 1.096 311 I HN 0.434 nan 8.210 nan 0.000 0.409 312 F N -1.877 118.334 119.950 0.435 0.000 2.923 312 F HA 0.594 5.121 4.527 -0.000 0.000 0.323 312 F C 0.853 176.905 175.800 0.420 0.000 1.189 312 F CA -0.813 57.387 58.000 0.332 0.000 0.930 312 F CB 0.784 40.080 39.000 0.492 0.000 1.414 312 F HN -0.254 nan 8.300 nan 0.000 0.496 313 S N -0.058 115.609 115.700 -0.056 0.000 2.335 313 S HA 0.296 4.766 4.470 -0.000 0.000 0.216 313 S C 1.785 176.220 174.600 -0.274 0.000 1.032 313 S CA 2.571 60.696 58.200 -0.125 0.000 1.000 313 S CB -1.154 61.776 63.200 -0.450 0.000 0.928 313 S HN 2.211 nan 8.310 nan 0.000 0.434 314 G N 0.646 109.244 108.800 -0.337 0.000 2.299 314 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.237 314 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.237 314 G C 0.629 175.723 174.900 0.324 0.000 1.027 314 G CA 0.835 45.936 45.100 0.001 0.000 0.619 314 G HN 0.532 nan 8.290 nan 0.000 0.513 315 D N 1.294 121.844 120.400 0.250 0.000 2.077 315 D HA 0.076 4.716 4.640 -0.000 0.000 0.196 315 D C 0.829 177.218 176.300 0.147 0.000 0.986 315 D CA 1.217 55.366 54.000 0.249 0.000 0.829 315 D CB -0.045 40.849 40.800 0.156 0.000 0.983 315 D HN 0.556 nan 8.370 nan 0.000 0.453 316 D N -0.900 119.429 120.400 -0.118 0.000 2.198 316 D HA 0.360 4.999 4.640 -0.000 0.000 0.247 316 D C -0.924 175.226 176.300 -0.250 0.000 1.010 316 D CA -0.395 53.565 54.000 -0.065 0.000 0.880 316 D CB 2.311 43.285 40.800 0.290 0.000 1.209 316 D HN -0.071 nan 8.370 nan 0.000 0.451 317 F N 2.515 122.226 119.950 -0.399 0.000 2.689 317 F HA 0.296 4.823 4.527 -0.000 0.000 0.332 317 F C -2.009 173.638 175.800 -0.256 0.000 1.209 317 F CA -0.550 57.289 58.000 -0.268 0.000 1.028 317 F CB 0.911 39.764 39.000 -0.246 0.000 1.291 317 F HN 0.203 nan 8.300 nan 0.000 0.500 318 Y N 6.140 126.237 120.300 -0.339 0.000 2.477 318 Y HA 0.677 5.227 4.550 -0.000 0.000 0.347 318 Y C -0.580 175.112 175.900 -0.347 0.000 0.981 318 Y CA -1.190 56.810 58.100 -0.166 0.000 1.033 318 Y CB 2.084 40.518 38.460 -0.042 0.000 1.245 318 Y HN 0.356 nan 8.280 nan 0.000 0.455 319 I N 4.556 125.127 120.570 0.002 0.000 2.355 319 I HA 0.373 4.543 4.170 -0.000 0.000 0.288 319 I C -0.931 175.233 176.117 0.079 0.000 0.999 319 I CA -0.425 60.870 61.300 -0.007 0.000 1.163 319 I CB 0.985 38.994 38.000 0.016 0.000 1.316 319 I HN 0.361 nan 8.210 nan 0.000 0.454 320 L N 4.843 126.097 121.223 0.052 0.000 2.322 320 L HA 0.483 4.822 4.340 -0.000 0.000 0.279 320 L C 1.478 178.374 176.870 0.043 0.000 1.036 320 L CA -0.475 54.400 54.840 0.057 0.000 0.807 320 L CB 1.616 43.695 42.059 0.033 0.000 1.226 320 L HN 0.732 nan 8.230 nan 0.000 0.433 321 G N -0.005 108.821 108.800 0.044 0.000 2.625 321 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.214 321 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.214 321 G C 1.205 176.116 174.900 0.019 0.000 1.132 321 G CA 0.725 45.840 45.100 0.025 0.000 0.782 321 G HN 0.695 nan 8.290 nan 0.000 0.538 322 S N -0.814 114.904 115.700 0.029 0.000 2.650 322 S HA 0.372 4.842 4.470 -0.000 0.000 0.219 322 S C 1.768 176.391 174.600 0.037 0.000 0.960 322 S CA 0.779 58.998 58.200 0.032 0.000 0.925 322 S CB -0.041 63.183 63.200 0.039 0.000 0.775 322 S HN 1.354 nan 8.310 nan 0.000 0.525 323 G N 0.569 109.393 108.800 0.040 0.000 2.175 323 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.244 323 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.244 323 G C -0.130 174.831 174.900 0.102 0.000 0.982 323 G CA 0.112 45.258 45.100 0.077 0.000 0.641 323 G HN 0.525 nan 8.290 nan 0.000 0.527 324 L N 0.621 121.868 121.223 0.039 0.000 2.334 324 L HA 0.728 5.068 4.340 -0.000 0.000 0.275 324 L C 0.274 177.111 176.870 -0.054 0.000 1.036 324 L CA -1.278 53.542 54.840 -0.033 0.000 0.807 324 L CB 1.933 43.948 42.059 -0.073 0.000 1.231 324 L HN -0.080 nan 8.230 nan 0.000 0.438 325 V N 0.805 120.632 119.914 -0.146 0.000 2.417 325 V HA 0.451 4.571 4.120 -0.000 0.000 0.291 325 V C 0.117 176.054 176.094 -0.262 0.000 1.024 325 V CA -0.520 61.659 62.300 -0.201 0.000 0.861 325 V CB 1.774 33.475 31.823 -0.202 0.000 0.985 325 V HN 0.890 nan 8.190 nan 0.000 0.436 326 T N 4.232 118.659 114.554 -0.211 0.000 2.807 326 T HA 0.880 5.229 4.350 -0.000 0.000 0.279 326 T C -0.797 173.938 174.700 0.058 0.000 0.993 326 T CA -0.637 61.365 62.100 -0.163 0.000 0.970 326 T CB 1.499 70.187 68.868 -0.300 0.000 0.950 326 T HN 0.778 nan 8.240 nan 0.000 0.441 327 L N 0.013 121.265 121.223 0.048 0.000 2.540 327 L HA 0.998 5.338 4.340 -0.000 0.000 0.256 327 L C -1.491 175.206 176.870 -0.288 0.000 1.001 327 L CA -1.404 53.404 54.840 -0.052 0.000 0.843 327 L CB 2.175 44.263 42.059 0.049 0.000 1.436 327 L HN 0.773 nan 8.230 nan 0.000 0.410 328 E N -0.452 119.446 120.200 -0.503 0.000 2.408 328 E HA 0.760 5.110 4.350 -0.000 0.000 0.275 328 E C -1.070 175.395 176.600 -0.225 0.000 0.935 328 E CA -0.592 55.418 56.400 -0.651 0.000 0.775 328 E CB 2.044 30.767 29.700 -1.628 0.000 1.277 328 E HN 0.776 nan 8.360 nan 0.000 0.455 329 T N -1.432 112.992 114.554 -0.217 0.000 2.887 329 T HA 0.593 4.943 4.350 -0.000 0.000 0.288 329 T C -0.291 174.311 174.700 -0.163 0.000 1.021 329 T CA -0.857 61.162 62.100 -0.135 0.000 1.000 329 T CB 1.387 70.171 68.868 -0.141 0.000 1.034 329 T HN 0.380 nan 8.240 nan 0.000 0.467 330 T N 3.052 117.551 114.554 -0.090 0.000 2.851 330 T HA 0.305 4.654 4.350 -0.000 0.000 0.298 330 T C 1.578 176.294 174.700 0.027 0.000 0.977 330 T CA -0.479 61.607 62.100 -0.023 0.000 1.126 330 T CB 0.170 69.115 68.868 0.129 0.000 0.916 330 T HN 0.727 nan 8.240 nan 0.000 0.529 331 I N 0.507 121.114 120.570 0.062 0.000 3.526 331 I HA 0.451 4.621 4.170 -0.000 0.000 0.294 331 I C 1.200 177.394 176.117 0.128 0.000 1.229 331 I CA -0.130 61.225 61.300 0.092 0.000 1.408 331 I CB -0.637 37.423 38.000 0.101 0.000 1.127 331 I HN 0.789 nan 8.210 nan 0.000 0.439 332 G N 2.448 111.350 108.800 0.170 0.000 2.641 332 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.254 332 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.254 332 G C -0.524 174.472 174.900 0.161 0.000 1.315 332 G CA 0.222 45.447 45.100 0.209 0.000 0.907 332 G HN 0.856 nan 8.290 nan 0.000 0.572 333 N N -0.585 118.213 118.700 0.164 0.000 2.369 333 N HA 0.404 5.144 4.740 -0.000 0.000 0.287 333 N C -0.069 175.439 175.510 -0.003 0.000 1.067 333 N CA -0.619 52.429 53.050 -0.003 0.000 0.888 333 N CB 1.475 39.838 38.487 -0.206 0.000 1.616 333 N HN 0.510 nan 8.380 nan 0.000 0.482 334 K N 1.067 121.421 120.400 -0.077 0.000 2.387 334 K HA 0.173 4.493 4.320 -0.000 0.000 0.203 334 K C -0.334 176.190 176.600 -0.127 0.000 1.030 334 K CA -0.249 56.008 56.287 -0.050 0.000 1.099 334 K CB 0.215 32.681 32.500 -0.056 0.000 0.863 334 K HN 0.327 nan 8.250 nan 0.000 0.529 335 N N 1.291 119.838 118.700 -0.254 0.000 2.527 335 N HA 0.151 4.891 4.740 -0.000 0.000 0.236 335 N C -2.330 172.898 175.510 -0.470 0.000 0.999 335 N CA -2.379 50.510 53.050 -0.269 0.000 0.935 335 N CB 1.417 39.776 38.487 -0.213 0.000 1.132 335 N HN -0.163 nan 8.380 nan 0.000 0.511 336 P HA 0.025 nan 4.420 nan 0.000 0.226 336 P C 0.599 177.785 177.300 -0.189 0.000 1.153 336 P CA 0.551 63.508 63.100 -0.238 0.000 0.777 336 P CB 0.272 32.026 31.700 0.090 0.000 0.794 337 A N -0.707 122.011 122.820 -0.171 0.000 2.209 337 A HA -0.024 4.295 4.320 -0.000 0.000 0.212 337 A C 1.845 179.328 177.584 -0.167 0.000 1.158 337 A CA 0.867 52.832 52.037 -0.119 0.000 0.742 337 A CB -1.242 17.713 19.000 -0.076 0.000 0.790 337 A HN 0.177 nan 8.150 nan 0.000 0.472 338 L N -3.022 118.038 121.223 -0.272 0.000 2.554 338 L HA 0.014 4.354 4.340 -0.000 0.000 0.225 338 L C 1.833 178.639 176.870 -0.107 0.000 1.104 338 L CA -0.091 54.656 54.840 -0.156 0.000 0.866 338 L CB -0.338 41.626 42.059 -0.158 0.000 1.047 338 L HN 0.615 nan 8.230 nan 0.000 0.468 339 W N 1.763 123.063 121.300 0.001 0.000 2.421 339 W HA -0.176 4.483 4.660 -0.001 0.000 0.270 339 W C 2.393 178.887 176.519 -0.041 0.000 1.233 339 W CA 0.457 57.807 57.345 0.008 0.000 1.226 339 W CB -0.011 29.453 29.460 0.007 0.000 1.121 339 W HN 0.193 nan 8.180 nan 0.000 0.579 340 K N -0.178 120.224 120.400 0.004 0.000 2.362 340 K HA -0.164 4.156 4.320 -0.000 0.000 0.200 340 K C 0.984 177.479 176.600 -0.175 0.000 1.046 340 K CA 1.247 57.452 56.287 -0.137 0.000 0.952 340 K CB -0.904 31.425 32.500 -0.285 0.000 0.753 340 K HN 0.268 nan 8.250 nan 0.000 0.466 341 Y N 1.282 121.658 120.300 0.126 0.000 2.546 341 Y HA 0.081 4.631 4.550 0.000 0.000 0.287 341 Y C 0.381 176.373 175.900 0.153 0.000 1.158 341 Y CA -0.659 57.504 58.100 0.106 0.000 1.307 341 Y CB 0.621 39.124 38.460 0.072 0.000 1.036 341 Y HN -0.182 nan 8.280 nan 0.000 0.532 342 V N 2.714 122.822 119.914 0.324 0.000 2.339 342 V HA 0.156 4.275 4.120 -0.000 0.000 0.261 342 V C -0.225 176.073 176.094 0.338 0.000 1.058 342 V CA -0.364 62.135 62.300 0.332 0.000 0.897 342 V CB 0.285 32.298 31.823 0.317 0.000 1.052 342 V HN 0.134 nan 8.190 nan 0.000 0.480 343 Q N 6.418 126.388 119.800 0.283 0.000 2.413 343 Q HA 0.446 4.786 4.340 -0.000 0.000 0.276 343 Q C -1.958 173.980 176.000 -0.103 0.000 1.099 343 Q CA -2.076 53.803 55.803 0.127 0.000 0.814 343 Q CB 2.559 31.297 28.738 0.000 0.000 1.379 343 Q HN 0.282 nan 8.270 nan 0.000 0.436 344 P HA -0.062 nan 4.420 nan 0.000 0.225 344 P C -0.363 176.610 177.300 -0.544 0.000 1.156 344 P CA 0.851 63.474 63.100 -0.795 0.000 0.787 344 P CB 0.745 31.926 31.700 -0.864 0.000 0.802 345 Q N -0.826 118.612 119.800 -0.603 0.000 2.316 345 Q HA 0.589 4.929 4.340 -0.000 0.000 0.264 345 Q C 0.736 176.062 176.000 -1.123 0.000 0.987 345 Q CA 0.154 55.269 55.803 -1.148 0.000 0.852 345 Q CB 1.371 29.617 28.738 -0.821 0.000 1.287 345 Q HN 0.164 nan 8.270 nan 0.000 0.448 346 G N 0.772 108.428 108.800 -1.907 0.000 2.159 346 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.227 346 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.227 346 G C -0.221 174.557 174.900 -0.203 0.000 0.986 346 G CA -0.252 44.419 45.100 -0.715 0.000 0.651 346 G HN 0.622 nan 8.290 nan 0.000 0.523 347 C N 0.377 119.474 119.300 -0.338 0.000 2.431 347 C HA 0.701 5.161 4.460 -0.000 0.000 0.321 347 C C 0.354 175.482 174.990 0.230 0.000 1.202 347 C CA -0.832 58.227 59.018 0.068 0.000 1.398 347 C CB 1.562 29.349 27.740 0.078 0.000 2.047 347 C HN 0.398 nan 8.230 nan 0.000 0.465 348 V N 4.720 124.790 119.914 0.260 0.000 2.435 348 V HA 0.384 4.504 4.120 -0.000 0.000 0.290 348 V C 0.236 176.377 176.094 0.080 0.000 1.030 348 V CA -0.456 61.952 62.300 0.181 0.000 0.881 348 V CB 1.536 33.409 31.823 0.084 0.000 0.983 348 V HN 0.723 nan 8.190 nan 0.000 0.445 349 L N 3.047 124.310 121.223 0.067 0.000 2.483 349 L HA 0.110 4.450 4.340 -0.000 0.000 0.276 349 L C 1.918 178.780 176.870 -0.013 0.000 1.213 349 L CA 0.192 55.097 54.840 0.109 0.000 0.843 349 L CB 0.326 42.543 42.059 0.262 0.000 1.107 349 L HN 0.764 nan 8.230 nan 0.000 0.487 350 E N 3.249 123.548 120.200 0.166 0.000 2.085 350 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 350 E C 1.831 178.557 176.600 0.208 0.000 0.994 350 E CA 2.013 58.548 56.400 0.225 0.000 0.801 350 E CB -0.049 29.956 29.700 0.508 0.000 0.743 350 E HN 0.811 nan 8.360 nan 0.000 0.453 351 W N 0.697 122.006 121.300 0.015 0.000 2.342 351 W HA -0.154 4.505 4.660 -0.000 0.000 0.297 351 W C 1.777 178.159 176.519 -0.228 0.000 1.213 351 W CA 0.582 57.709 57.345 -0.363 0.000 1.251 351 W CB -1.158 27.709 29.460 -0.989 0.000 1.136 351 W HN -0.034 nan 8.180 nan 0.000 0.526 352 I N 1.487 121.435 120.570 -1.037 0.000 2.233 352 I HA -0.230 3.940 4.170 -0.000 0.000 0.243 352 I C 2.965 178.798 176.117 -0.474 0.000 1.093 352 I CA 1.470 62.213 61.300 -0.928 0.000 1.380 352 I CB -0.651 36.756 38.000 -0.988 0.000 1.067 352 I HN -0.151 nan 8.210 nan 0.000 0.413 353 R N 0.689 120.969 120.500 -0.366 0.000 2.105 353 R HA -0.203 4.137 4.340 -0.000 0.000 0.239 353 R C 2.156 178.350 176.300 -0.178 0.000 1.135 353 R CA 1.735 57.630 56.100 -0.342 0.000 0.967 353 R CB -0.609 29.347 30.300 -0.573 0.000 0.861 353 R HN 0.383 nan 8.270 nan 0.000 0.442 354 N N 0.854 119.580 118.700 0.044 0.000 2.084 354 N HA -0.126 4.614 4.740 -0.000 0.000 0.190 354 N C 1.644 177.075 175.510 -0.131 0.000 1.030 354 N CA 1.357 54.446 53.050 0.065 0.000 0.849 354 N CB -0.190 38.538 38.487 0.402 0.000 1.012 354 N HN -0.040 nan 8.380 nan 0.000 0.423 355 V N 0.172 120.028 119.914 -0.097 0.000 2.295 355 V HA -0.167 3.953 4.120 -0.000 0.000 0.246 355 V C 2.468 178.452 176.094 -0.182 0.000 1.049 355 V CA 1.432 63.668 62.300 -0.106 0.000 1.024 355 V CB -0.514 31.303 31.823 -0.010 0.000 0.648 355 V HN 0.177 nan 8.190 nan 0.000 0.447 356 V N 0.335 120.090 119.914 -0.265 0.000 2.295 356 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 356 V C 2.722 178.629 176.094 -0.311 0.000 1.049 356 V CA 2.109 64.222 62.300 -0.311 0.000 1.024 356 V CB -1.204 30.343 31.823 -0.459 0.000 0.648 356 V HN 0.562 nan 8.190 nan 0.000 0.447 357 A N 0.140 122.694 122.820 -0.444 0.000 1.908 357 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 357 A C 2.062 179.376 177.584 -0.450 0.000 1.181 357 A CA 2.385 54.000 52.037 -0.704 0.000 0.627 357 A CB -0.945 17.108 19.000 -1.578 0.000 0.818 357 A HN 0.694 nan 8.150 nan 0.000 0.445 358 N N -1.102 117.448 118.700 -0.249 0.000 2.149 358 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 358 N C 2.072 177.558 175.510 -0.040 0.000 1.019 358 N CA 1.111 54.137 53.050 -0.041 0.000 0.857 358 N CB -0.143 38.202 38.487 -0.237 0.000 0.997 358 N HN 0.432 nan 8.380 nan 0.000 0.426 359 R N 0.556 121.012 120.500 -0.072 0.000 2.075 359 R HA 0.017 4.357 4.340 -0.000 0.000 0.232 359 R C 1.997 178.293 176.300 -0.008 0.000 1.126 359 R CA 0.846 56.936 56.100 -0.017 0.000 0.963 359 R CB -0.103 30.198 30.300 0.002 0.000 0.858 359 R HN 0.262 nan 8.270 nan 0.000 0.435 360 L N 0.156 121.349 121.223 -0.049 0.000 2.307 360 L HA 0.159 4.499 4.340 -0.000 0.000 0.211 360 L C 0.967 177.837 176.870 -0.000 0.000 1.099 360 L CA -0.273 54.549 54.840 -0.029 0.000 0.816 360 L CB -0.143 41.877 42.059 -0.065 0.000 0.952 360 L HN 0.065 nan 8.230 nan 0.000 0.455 361 A N 0.216 123.043 122.820 0.011 0.000 2.477 361 A HA 0.161 4.481 4.320 -0.000 0.000 0.246 361 A C 0.947 178.572 177.584 0.068 0.000 1.078 361 A CA 0.024 52.102 52.037 0.068 0.000 0.770 361 A CB 0.436 19.555 19.000 0.199 0.000 1.011 361 A HN 0.170 nan 8.150 nan 0.000 0.494 362 L N 0.822 122.080 121.223 0.059 0.000 2.470 362 L HA 0.207 4.547 4.340 -0.000 0.000 0.219 362 L C 0.108 177.007 176.870 0.048 0.000 1.071 362 L CA 1.196 56.065 54.840 0.049 0.000 0.850 362 L CB -0.701 41.383 42.059 0.041 0.000 1.040 362 L HN 0.994 nan 8.230 nan 0.000 0.475 363 D N -3.795 116.638 120.400 0.055 0.000 2.677 363 D HA 0.248 4.888 4.640 -0.000 0.000 0.298 363 D C 0.920 177.250 176.300 0.050 0.000 1.250 363 D CA 0.030 54.053 54.000 0.037 0.000 0.888 363 D CB 0.358 41.174 40.800 0.027 0.000 1.397 363 D HN -0.127 nan 8.370 nan 0.000 0.461 364 G N -0.289 108.514 108.800 0.005 0.000 2.440 364 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.218 364 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.218 364 G C 1.349 176.286 174.900 0.062 0.000 1.154 364 G CA 1.693 46.787 45.100 -0.010 0.000 0.767 364 G HN 0.712 nan 8.290 nan 0.000 0.552 365 A N 0.741 123.586 122.820 0.041 0.000 1.902 365 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 365 A C 2.669 180.289 177.584 0.059 0.000 1.181 365 A CA 2.811 54.873 52.037 0.042 0.000 0.623 365 A CB -1.109 17.901 19.000 0.018 0.000 0.818 365 A HN 0.556 nan 8.150 nan 0.000 0.443 366 T N -4.692 109.899 114.554 0.062 0.000 2.904 366 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 366 T C 1.659 176.397 174.700 0.064 0.000 1.059 366 T CA 1.290 63.418 62.100 0.046 0.000 1.137 366 T CB -0.512 68.376 68.868 0.034 0.000 0.879 366 T HN 0.602 nan 8.240 nan 0.000 0.467 367 W N 2.164 123.417 121.300 -0.077 0.000 2.354 367 W HA 0.036 4.696 4.660 -0.000 0.000 0.315 367 W C 2.730 179.192 176.519 -0.095 0.000 1.206 367 W CA 1.690 58.966 57.345 -0.115 0.000 1.290 367 W CB -0.500 28.856 29.460 -0.173 0.000 1.152 367 W HN 0.338 nan 8.180 nan 0.000 0.489 368 A N -0.180 122.846 122.820 0.343 0.000 1.908 368 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 368 A C 1.652 179.267 177.584 0.053 0.000 1.181 368 A CA 2.349 54.531 52.037 0.241 0.000 0.627 368 A CB -1.341 17.776 19.000 0.195 0.000 0.818 368 A HN 0.415 nan 8.150 nan 0.000 0.445 369 D N -0.577 119.826 120.400 0.006 0.000 2.104 369 D HA -0.136 4.504 4.640 -0.000 0.000 0.194 369 D C 1.828 178.060 176.300 -0.113 0.000 0.994 369 D CA 1.706 55.673 54.000 -0.054 0.000 0.830 369 D CB -0.100 40.673 40.800 -0.045 0.000 0.959 369 D HN 0.159 nan 8.370 nan 0.000 0.452 370 V N -0.023 119.807 119.914 -0.139 0.000 2.307 370 V HA -0.162 3.958 4.120 -0.000 0.000 0.245 370 V C 2.179 178.143 176.094 -0.216 0.000 1.045 370 V CA 1.604 63.803 62.300 -0.168 0.000 1.024 370 V CB -0.733 30.969 31.823 -0.201 0.000 0.651 370 V HN 0.240 nan 8.190 nan 0.000 0.449 371 F N 2.217 121.842 119.950 -0.542 0.000 2.216 371 F HA -0.195 4.332 4.527 0.000 0.000 0.300 371 F C 2.305 177.920 175.800 -0.308 0.000 1.085 371 F CA 1.999 59.627 58.000 -0.619 0.000 1.326 371 F CB -0.151 38.166 39.000 -1.138 0.000 1.027 371 F HN 0.219 nan 8.300 nan 0.000 0.497 372 K N 0.370 120.656 120.400 -0.190 0.000 2.444 372 K HA 0.067 4.387 4.320 -0.000 0.000 0.193 372 K C 0.306 176.749 176.600 -0.261 0.000 1.024 372 K CA -0.064 56.109 56.287 -0.190 0.000 1.077 372 K CB -0.205 32.270 32.500 -0.042 0.000 0.833 372 K HN 0.112 nan 8.250 nan 0.000 0.517 373 R N 0.810 121.121 120.500 -0.315 0.000 2.442 373 R HA 0.077 4.417 4.340 -0.000 0.000 0.291 373 R C -0.590 175.546 176.300 -0.272 0.000 1.069 373 R CA -0.043 55.781 56.100 -0.460 0.000 1.022 373 R CB -0.117 29.804 30.300 -0.631 0.000 0.976 373 R HN 0.251 nan 8.270 nan 0.000 0.443 374 F N -0.201 119.650 119.950 -0.165 0.000 3.074 374 F HA -0.274 4.253 4.527 -0.000 0.000 0.287 374 F C 0.518 176.272 175.800 -0.078 0.000 0.932 374 F CA 0.099 58.063 58.000 -0.060 0.000 0.995 374 F CB -1.482 37.557 39.000 0.064 0.000 0.966 374 F HN 0.610 nan 8.300 nan 0.000 0.721 375 N N 1.399 120.092 118.700 -0.012 0.000 2.414 375 N HA 0.072 4.812 4.740 -0.000 0.000 0.268 375 N C 0.992 176.544 175.510 0.069 0.000 1.286 375 N CA 0.817 53.850 53.050 -0.029 0.000 0.896 375 N CB 0.981 39.437 38.487 -0.052 0.000 1.093 375 N HN 0.292 nan 8.380 nan 0.000 0.480 376 S N 2.526 118.286 115.700 0.101 0.000 2.496 376 S HA 0.117 4.587 4.470 -0.000 0.000 0.224 376 S C 1.485 176.223 174.600 0.229 0.000 0.996 376 S CA 0.261 58.570 58.200 0.182 0.000 0.927 376 S CB -0.540 62.785 63.200 0.208 0.000 0.774 376 S HN 0.964 nan 8.310 nan 0.000 0.524 377 G N 1.717 110.646 108.800 0.214 0.000 2.179 377 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.257 377 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.257 377 G C 0.142 175.246 174.900 0.341 0.000 1.010 377 G CA 0.626 45.887 45.100 0.269 0.000 0.736 377 G HN 1.266 nan 8.290 nan 0.000 0.513 378 T N -3.878 110.866 114.554 0.317 0.000 2.908 378 T HA 0.580 4.930 4.350 -0.000 0.000 0.290 378 T C 0.127 175.087 174.700 0.434 0.000 1.034 378 T CA -0.157 62.145 62.100 0.337 0.000 1.010 378 T CB 2.035 71.058 68.868 0.258 0.000 1.068 378 T HN 1.368 nan 8.240 nan 0.000 0.481 379 Y N 1.440 121.900 120.300 0.267 0.000 2.988 379 Y HA -0.241 4.309 4.550 -0.000 0.000 0.193 379 Y C -0.462 175.640 175.900 0.337 0.000 1.388 379 Y CA -0.473 57.806 58.100 0.298 0.000 0.904 379 Y CB -1.170 37.498 38.460 0.346 0.000 1.297 379 Y HN 0.718 nan 8.280 nan 0.000 0.432 380 N N 3.982 122.912 118.700 0.384 0.000 2.405 380 N HA 0.126 4.865 4.740 -0.000 0.000 0.260 380 N C -0.550 175.062 175.510 0.171 0.000 1.152 380 N CA 0.257 53.478 53.050 0.285 0.000 0.948 380 N CB 0.649 39.295 38.487 0.265 0.000 1.111 380 N HN 0.392 nan 8.380 nan 0.000 0.485 381 N N 0.948 119.737 118.700 0.149 0.000 2.312 381 N HA 0.151 4.891 4.740 -0.000 0.000 0.296 381 N C -0.639 174.899 175.510 0.047 0.000 1.193 381 N CA -0.544 52.479 53.050 -0.045 0.000 0.773 381 N CB 1.802 40.053 38.487 -0.393 0.000 1.435 381 N HN 0.435 nan 8.380 nan 0.000 0.484 382 Q N 0.859 120.625 119.800 -0.057 0.000 2.331 382 Q HA 0.266 4.606 4.340 -0.000 0.000 0.257 382 Q C -1.279 174.627 176.000 -0.156 0.000 0.957 382 Q CA -0.530 55.279 55.803 0.011 0.000 0.923 382 Q CB 0.606 29.371 28.738 0.044 0.000 1.212 382 Q HN 0.453 nan 8.270 nan 0.000 0.443 383 W N 4.433 125.700 121.300 -0.057 0.000 2.365 383 W HA 0.406 5.066 4.660 -0.000 0.000 0.316 383 W C -0.358 175.994 176.519 -0.278 0.000 1.164 383 W CA -0.530 56.689 57.345 -0.210 0.000 1.204 383 W CB 1.159 30.412 29.460 -0.345 0.000 1.213 383 W HN 0.512 nan 8.180 nan 0.000 0.539 384 M N 4.547 124.087 119.600 -0.101 0.000 2.227 384 M HA 0.414 4.894 4.480 -0.000 0.000 0.335 384 M C -1.075 175.036 176.300 -0.315 0.000 1.053 384 M CA -0.585 54.564 55.300 -0.251 0.000 0.973 384 M CB 1.199 33.657 32.600 -0.236 0.000 1.623 384 M HN 0.102 nan 8.290 nan 0.000 0.434 385 I N 3.676 124.006 120.570 -0.400 0.000 2.382 385 I HA 0.374 4.544 4.170 -0.000 0.000 0.285 385 I C -0.662 175.244 176.117 -0.352 0.000 1.007 385 I CA -0.492 60.531 61.300 -0.463 0.000 1.142 385 I CB 1.385 39.040 38.000 -0.575 0.000 1.289 385 I HN 0.318 nan 8.210 nan 0.000 0.453 386 V N 4.871 124.579 119.914 -0.344 0.000 2.370 386 V HA 0.305 4.425 4.120 -0.000 0.000 0.279 386 V C -0.333 175.566 176.094 -0.324 0.000 1.029 386 V CA -0.442 61.638 62.300 -0.367 0.000 0.870 386 V CB 1.601 33.132 31.823 -0.487 0.000 0.984 386 V HN 0.613 nan 8.190 nan 0.000 0.451 387 D N 3.240 123.508 120.400 -0.221 0.000 2.473 387 D HA 0.245 4.885 4.640 -0.000 0.000 0.226 387 D C 0.527 176.850 176.300 0.037 0.000 1.089 387 D CA -0.254 53.698 54.000 -0.079 0.000 0.883 387 D CB 0.627 41.410 40.800 -0.028 0.000 1.029 387 D HN 0.534 nan 8.370 nan 0.000 0.517 388 Y N 2.081 122.453 120.300 0.121 0.000 2.421 388 Y HA -0.092 4.458 4.550 -0.000 0.000 0.292 388 Y C 2.138 178.257 175.900 0.366 0.000 1.136 388 Y CA 0.578 58.849 58.100 0.285 0.000 1.255 388 Y CB 0.369 38.975 38.460 0.244 0.000 0.991 388 Y HN 0.278 nan 8.280 nan 0.000 0.552 389 K N -0.279 120.330 120.400 0.348 0.000 2.280 389 K HA -0.124 4.196 4.320 -0.000 0.000 0.202 389 K C 1.877 178.607 176.600 0.218 0.000 1.047 389 K CA 0.990 57.428 56.287 0.252 0.000 0.942 389 K CB -0.105 32.480 32.500 0.142 0.000 0.739 389 K HN 0.232 nan 8.250 nan 0.000 0.457 390 A N 0.518 123.465 122.820 0.212 0.000 2.308 390 A HA 0.072 4.391 4.320 -0.000 0.000 0.217 390 A C 0.185 177.888 177.584 0.199 0.000 1.216 390 A CA -0.337 51.791 52.037 0.152 0.000 0.864 390 A CB -0.048 19.012 19.000 0.099 0.000 0.902 390 A HN 0.219 nan 8.150 nan 0.000 0.499 391 F N 0.530 120.568 119.950 0.147 0.000 2.411 391 F HA 0.567 5.094 4.527 -0.000 0.000 0.355 391 F C -0.595 175.162 175.800 -0.071 0.000 1.117 391 F CA -1.814 56.240 58.000 0.091 0.000 1.139 391 F CB 1.056 40.169 39.000 0.187 0.000 1.120 391 F HN -0.006 nan 8.300 nan 0.000 0.493 392 L N 9.757 130.490 121.223 -0.816 0.000 2.276 392 L HA 0.581 4.921 4.340 -0.000 0.000 0.286 392 L C -2.493 173.682 176.870 -1.159 0.000 1.024 392 L CA -2.582 51.792 54.840 -0.776 0.000 0.826 392 L CB 0.703 42.547 42.059 -0.358 0.000 1.211 392 L HN 0.410 nan 8.230 nan 0.000 0.422 393 P HA 0.142 nan 4.420 nan 0.000 0.262 393 P C -0.276 176.852 177.300 -0.287 0.000 1.182 393 P CA 0.534 63.243 63.100 -0.651 0.000 0.761 393 P CB 0.334 31.833 31.700 -0.335 0.000 0.795 394 N N -0.611 118.034 118.700 -0.093 0.000 2.936 394 N HA -0.139 4.601 4.740 -0.000 0.000 0.236 394 N C 0.708 176.195 175.510 -0.038 0.000 0.930 394 N CA 1.710 54.770 53.050 0.016 0.000 0.966 394 N CB -1.981 36.541 38.487 0.058 0.000 1.090 394 N HN 0.615 nan 8.380 nan 0.000 0.592 395 G N 1.221 109.942 108.800 -0.131 0.000 2.572 395 G HA2 0.527 4.487 3.960 -0.000 0.000 0.261 395 G HA3 0.527 4.487 3.960 -0.000 0.000 0.261 395 G C -1.763 173.126 174.900 -0.019 0.000 1.197 395 G CA -0.396 44.641 45.100 -0.106 0.000 0.870 395 G HN 0.082 nan 8.290 nan 0.000 0.548 396 P HA 0.246 nan 4.420 nan 0.000 0.282 396 P C 0.107 177.230 177.300 -0.296 0.000 1.287 396 P CA -0.578 62.483 63.100 -0.064 0.000 0.792 396 P CB 0.814 32.471 31.700 -0.072 0.000 1.163 397 S N 0.941 116.326 115.700 -0.525 0.000 2.575 397 S HA 0.069 4.538 4.470 -0.000 0.000 0.295 397 S C -1.203 173.078 174.600 -0.532 0.000 1.267 397 S CA -0.824 56.737 58.200 -1.065 0.000 1.074 397 S CB -0.663 62.139 63.200 -0.663 0.000 0.829 397 S HN 0.281 nan 8.310 nan 0.000 0.497 398 P HA 0.232 nan 4.420 nan 0.000 0.249 398 P C 1.050 178.250 177.300 -0.167 0.000 1.229 398 P CA 0.825 63.789 63.100 -0.226 0.000 0.788 398 P CB -0.278 31.335 31.700 -0.145 0.000 1.072 399 G N 0.083 108.765 108.800 -0.197 0.000 2.320 399 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.242 399 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.242 399 G C 0.299 175.162 174.900 -0.062 0.000 1.033 399 G CA 0.433 45.468 45.100 -0.108 0.000 0.620 399 G HN 0.807 nan 8.290 nan 0.000 0.517 400 S N -2.270 113.397 115.700 -0.055 0.000 2.643 400 S HA 0.764 5.234 4.470 -0.000 0.000 0.270 400 S C 0.525 175.116 174.600 -0.016 0.000 1.166 400 S CA 0.416 58.599 58.200 -0.029 0.000 0.815 400 S CB 1.641 64.826 63.200 -0.024 0.000 1.139 400 S HN 1.244 nan 8.310 nan 0.000 0.472 401 R N -1.522 118.968 120.500 -0.016 0.000 3.606 401 R HA -0.181 4.159 4.340 -0.000 0.000 0.439 401 R C 1.185 177.478 176.300 -0.012 0.000 0.585 401 R CA 1.258 57.351 56.100 -0.011 0.000 1.521 401 R CB -2.661 27.642 30.300 0.005 0.000 2.112 401 R HN 0.512 nan 8.270 nan 0.000 0.375 402 V N 0.850 120.771 119.914 0.012 0.000 2.323 402 V HA -0.047 4.073 4.120 -0.000 0.000 0.244 402 V C 0.993 177.032 176.094 -0.092 0.000 1.041 402 V CA 1.926 64.240 62.300 0.022 0.000 1.025 402 V CB -0.210 31.712 31.823 0.165 0.000 0.656 402 V HN 0.238 nan 8.190 nan 0.000 0.451 403 L N -0.170 120.981 121.223 -0.119 0.000 2.381 403 L HA 0.598 4.938 4.340 -0.000 0.000 0.274 403 L C -0.583 176.133 176.870 -0.258 0.000 0.988 403 L CA 0.268 54.965 54.840 -0.238 0.000 0.824 403 L CB 1.946 43.819 42.059 -0.311 0.000 1.263 403 L HN 0.019 nan 8.230 nan 0.000 0.410 404 T N 5.990 120.377 114.554 -0.279 0.000 2.807 404 T HA 0.637 4.987 4.350 -0.000 0.000 0.279 404 T C -0.522 174.001 174.700 -0.295 0.000 0.993 404 T CA -0.355 61.610 62.100 -0.225 0.000 0.970 404 T CB 1.226 70.010 68.868 -0.141 0.000 0.950 404 T HN 0.307 nan 8.240 nan 0.000 0.441 405 I N 3.776 124.197 120.570 -0.248 0.000 2.404 405 I HA 0.532 4.702 4.170 -0.000 0.000 0.293 405 I C -0.386 175.814 176.117 0.138 0.000 0.992 405 I CA -0.916 60.263 61.300 -0.201 0.000 1.149 405 I CB 1.603 39.315 38.000 -0.481 0.000 1.315 405 I HN 0.539 nan 8.210 nan 0.000 0.446 406 L N 6.108 127.450 121.223 0.197 0.000 2.410 406 L HA 0.553 4.893 4.340 -0.000 0.000 0.270 406 L C -0.848 176.264 176.870 0.404 0.000 0.983 406 L CA -0.227 54.806 54.840 0.322 0.000 0.822 406 L CB 2.173 44.409 42.059 0.295 0.000 1.285 406 L HN 0.603 nan 8.230 nan 0.000 0.409 407 E N 4.216 124.678 120.200 0.437 0.000 2.234 407 E HA 0.322 4.672 4.350 -0.000 0.000 0.266 407 E C -1.637 175.152 176.600 0.315 0.000 0.877 407 E CA -0.660 55.977 56.400 0.396 0.000 0.758 407 E CB 2.518 32.511 29.700 0.490 0.000 1.170 407 E HN 0.478 nan 8.360 nan 0.000 0.415 408 Q N 4.371 124.364 119.800 0.321 0.000 2.330 408 Q HA 0.526 4.866 4.340 -0.000 0.000 0.269 408 Q C -1.086 175.042 176.000 0.214 0.000 1.022 408 Q CA -0.539 55.432 55.803 0.280 0.000 0.796 408 Q CB 1.135 30.113 28.738 0.400 0.000 1.271 408 Q HN 0.688 nan 8.270 nan 0.000 0.450 409 I N -0.223 120.435 120.570 0.146 0.000 3.206 409 I HA 0.726 4.896 4.170 -0.000 0.000 0.313 409 I C -2.635 173.539 176.117 0.094 0.000 1.103 409 I CA -3.388 57.980 61.300 0.113 0.000 0.985 409 I CB 2.110 40.143 38.000 0.056 0.000 1.240 409 I HN 0.387 nan 8.210 nan 0.000 0.464 410 P HA 0.179 nan 4.420 nan 0.000 0.267 410 P C 0.637 177.948 177.300 0.018 0.000 1.209 410 P CA 0.927 64.118 63.100 0.152 0.000 0.763 410 P CB 0.698 32.547 31.700 0.249 0.000 0.816 411 G N 2.279 110.987 108.800 -0.154 0.000 2.184 411 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.264 411 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.264 411 G C -0.027 174.673 174.900 -0.332 0.000 0.975 411 G CA 0.310 45.068 45.100 -0.570 0.000 0.642 411 G HN 0.609 nan 8.290 nan 0.000 0.536 412 M N 0.300 119.808 119.600 -0.152 0.000 2.322 412 M HA 0.584 5.064 4.480 -0.000 0.000 0.285 412 M C -1.700 174.587 176.300 -0.023 0.000 1.119 412 M CA -0.648 54.593 55.300 -0.098 0.000 0.953 412 M CB 2.343 34.894 32.600 -0.081 0.000 1.701 412 M HN 0.084 nan 8.290 nan 0.000 0.479 413 V N 5.047 124.944 119.914 -0.029 0.000 2.483 413 V HA 0.569 4.689 4.120 -0.000 0.000 0.297 413 V C -0.795 175.272 176.094 -0.045 0.000 1.027 413 V CA -0.705 61.609 62.300 0.023 0.000 0.855 413 V CB 1.960 33.813 31.823 0.050 0.000 0.995 413 V HN 0.673 nan 8.190 nan 0.000 0.424 414 V N 5.645 125.512 119.914 -0.078 0.000 2.459 414 V HA 0.617 4.737 4.120 -0.000 0.000 0.295 414 V C -0.286 175.636 176.094 -0.288 0.000 1.029 414 V CA -0.519 61.581 62.300 -0.332 0.000 0.874 414 V CB 1.987 33.391 31.823 -0.698 0.000 0.985 414 V HN 0.619 nan 8.190 nan 0.000 0.438 415 V N 3.339 123.100 119.914 -0.254 0.000 2.656 415 V HA 0.962 5.082 4.120 -0.000 0.000 0.307 415 V C 0.008 176.074 176.094 -0.046 0.000 1.051 415 V CA -0.449 61.820 62.300 -0.052 0.000 0.893 415 V CB 1.713 33.540 31.823 0.006 0.000 0.999 415 V HN 1.069 nan 8.190 nan 0.000 0.426 416 A N 2.240 125.141 122.820 0.135 0.000 2.574 416 A HA 0.645 4.965 4.320 -0.000 0.000 0.297 416 A C -1.227 176.382 177.584 0.041 0.000 1.062 416 A CA -0.564 51.551 52.037 0.131 0.000 0.686 416 A CB 1.646 20.837 19.000 0.318 0.000 1.285 416 A HN 0.751 nan 8.150 nan 0.000 0.403 417 D N 1.187 121.587 120.400 -0.000 0.000 2.348 417 D HA 0.222 4.862 4.640 -0.000 0.000 0.253 417 D C -0.162 176.091 176.300 -0.079 0.000 1.161 417 D CA 0.181 54.148 54.000 -0.054 0.000 0.876 417 D CB 0.821 41.602 40.800 -0.032 0.000 1.160 417 D HN 0.333 nan 8.370 nan 0.000 0.459 418 K N 2.755 123.046 120.400 -0.182 0.000 2.564 418 K HA 0.104 4.424 4.320 -0.000 0.000 0.205 418 K C 1.232 177.757 176.600 -0.125 0.000 1.053 418 K CA -0.141 56.013 56.287 -0.222 0.000 1.072 418 K CB 0.525 32.672 32.500 -0.589 0.000 0.822 418 K HN 0.401 nan 8.250 nan 0.000 0.497 419 T N 1.018 115.542 114.554 -0.050 0.000 2.635 419 T HA -0.199 4.150 4.350 -0.000 0.000 0.267 419 T C 1.905 176.703 174.700 0.163 0.000 1.040 419 T CA 1.955 64.097 62.100 0.069 0.000 1.156 419 T CB 0.031 68.927 68.868 0.048 0.000 0.863 419 T HN 0.355 nan 8.240 nan 0.000 0.430 420 A N 1.214 124.085 122.820 0.084 0.000 1.902 420 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 420 A C 2.198 179.858 177.584 0.126 0.000 1.181 420 A CA 2.082 54.176 52.037 0.096 0.000 0.623 420 A CB -0.652 18.376 19.000 0.046 0.000 0.818 420 A HN 0.536 nan 8.150 nan 0.000 0.443 421 E N -0.220 120.038 120.200 0.097 0.000 2.077 421 E HA -0.187 4.162 4.350 -0.000 0.000 0.193 421 E C 1.792 178.447 176.600 0.090 0.000 0.989 421 E CA 1.426 57.886 56.400 0.099 0.000 0.800 421 E CB -0.382 29.394 29.700 0.126 0.000 0.746 421 E HN 0.446 nan 8.360 nan 0.000 0.452 422 L N -0.394 120.884 121.223 0.091 0.000 2.017 422 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 422 L C 1.956 178.814 176.870 -0.020 0.000 1.073 422 L CA 1.822 56.678 54.840 0.028 0.000 0.745 422 L CB -0.721 41.327 42.059 -0.019 0.000 0.894 422 L HN 0.248 nan 8.230 nan 0.000 0.432 423 Y N -0.070 120.248 120.300 0.029 0.000 2.293 423 Y HA -0.211 4.339 4.550 -0.000 0.000 0.291 423 Y C 2.688 178.610 175.900 0.036 0.000 1.137 423 Y CA 1.889 60.012 58.100 0.039 0.000 1.202 423 Y CB -0.237 38.243 38.460 0.034 0.000 0.990 423 Y HN 0.238 nan 8.280 nan 0.000 0.537 424 K N -0.026 120.472 120.400 0.164 0.000 2.001 424 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 424 K C 2.003 178.646 176.600 0.071 0.000 1.048 424 K CA 2.009 58.358 56.287 0.103 0.000 0.932 424 K CB -0.286 32.265 32.500 0.085 0.000 0.715 424 K HN 0.386 nan 8.250 nan 0.000 0.437 425 T N -2.482 112.097 114.554 0.042 0.000 3.081 425 T HA -0.027 4.323 4.350 -0.000 0.000 0.255 425 T C 1.045 175.826 174.700 0.135 0.000 1.113 425 T CA 1.205 63.334 62.100 0.048 0.000 1.082 425 T CB -0.335 68.472 68.868 -0.102 0.000 0.939 425 T HN 0.531 nan 8.240 nan 0.000 0.506 426 T N -1.609 112.985 114.554 0.066 0.000 6.974 426 T HA -0.248 4.102 4.350 -0.000 0.000 0.287 426 T C 0.011 174.796 174.700 0.141 0.000 2.146 426 T CA 1.364 63.495 62.100 0.051 0.000 3.451 426 T CB -3.081 65.819 68.868 0.054 0.000 1.630 426 T HN 1.281 nan 8.240 nan 0.000 1.173 427 Y N -2.481 117.792 120.300 -0.046 0.000 2.638 427 Y HA 0.692 5.242 4.550 -0.000 0.000 0.335 427 Y C -1.547 174.363 175.900 0.016 0.000 1.155 427 Y CA -2.522 55.553 58.100 -0.042 0.000 1.046 427 Y CB 0.655 39.070 38.460 -0.075 0.000 1.303 427 Y HN 0.343 nan 8.280 nan 0.000 0.460 428 W N 3.280 124.435 121.300 -0.241 0.000 2.647 428 W HA 0.822 5.482 4.660 -0.000 0.000 0.328 428 W C -1.699 174.667 176.519 -0.256 0.000 1.018 428 W CA -0.931 56.200 57.345 -0.357 0.000 1.245 428 W CB 2.034 31.311 29.460 -0.305 0.000 1.356 428 W HN 1.067 nan 8.180 nan 0.000 0.443 429 A N 3.478 125.899 122.820 -0.665 0.000 2.325 429 A HA 0.718 5.038 4.320 -0.000 0.000 0.333 429 A C -0.925 176.252 177.584 -0.677 0.000 1.155 429 A CA -0.428 51.217 52.037 -0.654 0.000 0.814 429 A CB 1.826 20.355 19.000 -0.786 0.000 1.206 429 A HN 0.439 nan 8.150 nan 0.000 0.482 430 S N 0.082 115.507 115.700 -0.459 0.000 2.541 430 S HA 0.703 5.172 4.470 -0.000 0.000 0.280 430 S C -1.395 173.029 174.600 -0.294 0.000 1.112 430 S CA -0.396 57.519 58.200 -0.475 0.000 0.925 430 S CB 0.747 63.862 63.200 -0.142 0.000 1.067 430 S HN 1.281 nan 8.310 nan 0.000 0.479 431 Y N 2.507 122.734 120.300 -0.123 0.000 3.097 431 Y HA 0.470 5.020 4.550 -0.000 0.000 0.233 431 Y C 0.265 176.038 175.900 -0.211 0.000 0.867 431 Y CA -1.048 56.942 58.100 -0.184 0.000 1.133 431 Y CB -1.012 37.377 38.460 -0.119 0.000 1.231 431 Y HN 0.624 nan 8.280 nan 0.000 0.646 432 N N 0.707 119.325 118.700 -0.136 0.000 2.878 432 N HA -0.188 4.552 4.740 -0.000 0.000 0.247 432 N C -0.688 174.838 175.510 0.027 0.000 1.021 432 N CA 1.397 54.405 53.050 -0.071 0.000 0.873 432 N CB -1.043 37.372 38.487 -0.119 0.000 1.128 432 N HN 0.699 nan 8.380 nan 0.000 0.571 433 I N 1.162 121.771 120.570 0.065 0.000 2.466 433 I HA 0.319 4.489 4.170 -0.000 0.000 0.289 433 I C -2.242 174.046 176.117 0.286 0.000 1.026 433 I CA -1.894 59.548 61.300 0.236 0.000 1.078 433 I CB 2.583 40.829 38.000 0.410 0.000 1.249 433 I HN -0.284 nan 8.210 nan 0.000 0.429 434 P HA -0.056 nan 4.420 nan 0.000 0.268 434 P C -0.117 177.208 177.300 0.043 0.000 1.204 434 P CA 0.176 63.399 63.100 0.206 0.000 0.768 434 P CB 0.808 32.642 31.700 0.223 0.000 0.842 435 Y N 3.805 123.896 120.300 -0.350 0.000 2.243 435 Y HA 0.078 4.628 4.550 -0.000 0.000 0.293 435 Y C 0.684 176.226 175.900 -0.596 0.000 1.124 435 Y CA 0.607 58.156 58.100 -0.918 0.000 1.159 435 Y CB -0.351 37.713 38.460 -0.660 0.000 1.008 435 Y HN 0.071 nan 8.280 nan 0.000 0.527 436 F N 2.538 122.392 119.950 -0.162 0.000 2.541 436 F HA 0.069 4.596 4.527 -0.000 0.000 0.378 436 F C 1.455 177.167 175.800 -0.147 0.000 1.068 436 F CA 0.038 57.920 58.000 -0.196 0.000 1.199 436 F CB 0.623 39.635 39.000 0.020 0.000 1.091 436 F HN 0.169 nan 8.300 nan 0.000 0.555 437 E N 0.958 121.125 120.200 -0.054 0.000 2.118 437 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 437 E C 2.178 178.834 176.600 0.093 0.000 0.992 437 E CA 1.892 58.275 56.400 -0.028 0.000 0.804 437 E CB -0.131 29.500 29.700 -0.115 0.000 0.741 437 E HN 0.812 nan 8.360 nan 0.000 0.458 438 T N -1.175 113.430 114.554 0.084 0.000 2.821 438 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 438 T C 2.084 176.840 174.700 0.093 0.000 1.046 438 T CA 1.032 63.172 62.100 0.066 0.000 1.139 438 T CB -0.410 68.468 68.868 0.017 0.000 0.871 438 T HN -0.036 nan 8.240 nan 0.000 0.454 439 V N 0.488 120.489 119.914 0.145 0.000 2.407 439 V HA 0.057 4.177 4.120 -0.000 0.000 0.245 439 V C 2.139 178.326 176.094 0.156 0.000 1.041 439 V CA 1.266 63.655 62.300 0.147 0.000 1.040 439 V CB -0.976 30.978 31.823 0.219 0.000 0.671 439 V HN 0.411 nan 8.190 nan 0.000 0.455 440 F N 2.188 122.165 119.950 0.045 0.000 2.065 440 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 440 F C 2.288 178.105 175.800 0.027 0.000 1.112 440 F CA 2.342 60.364 58.000 0.036 0.000 1.212 440 F CB -0.366 38.638 39.000 0.007 0.000 0.975 440 F HN 0.196 nan 8.300 nan 0.000 0.476 441 N N 0.540 119.420 118.700 0.301 0.000 2.120 441 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 441 N C 1.903 177.437 175.510 0.040 0.000 1.024 441 N CA 1.566 54.714 53.050 0.163 0.000 0.852 441 N CB -0.951 37.623 38.487 0.144 0.000 1.003 441 N HN 0.406 nan 8.380 nan 0.000 0.424 442 A N 0.275 123.113 122.820 0.031 0.000 2.015 442 A HA -0.065 4.255 4.320 -0.000 0.000 0.219 442 A C 1.964 179.516 177.584 -0.052 0.000 1.163 442 A CA 1.643 53.676 52.037 -0.007 0.000 0.646 442 A CB -0.493 18.507 19.000 -0.001 0.000 0.806 442 A HN 0.410 nan 8.150 nan 0.000 0.448 443 S N -2.144 113.513 115.700 -0.071 0.000 2.577 443 S HA 0.421 4.891 4.470 -0.000 0.000 0.219 443 S C 1.171 175.678 174.600 -0.155 0.000 0.962 443 S CA 0.798 58.928 58.200 -0.116 0.000 0.921 443 S CB -0.190 62.959 63.200 -0.084 0.000 0.789 443 S HN 1.848 nan 8.310 nan 0.000 0.497 444 G N 1.159 109.866 108.800 -0.154 0.000 2.132 444 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.228 444 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.228 444 G C 0.403 175.171 174.900 -0.221 0.000 1.000 444 G CA 0.340 45.348 45.100 -0.155 0.000 0.693 444 G HN 0.514 nan 8.290 nan 0.000 0.515 445 L N -0.407 120.591 121.223 -0.376 0.000 2.341 445 L HA 0.030 4.370 4.340 -0.000 0.000 0.214 445 L C 2.893 179.602 176.870 -0.268 0.000 1.115 445 L CA 0.903 55.425 54.840 -0.531 0.000 0.820 445 L CB -0.316 41.027 42.059 -1.195 0.000 0.944 445 L HN 0.196 nan 8.230 nan 0.000 0.452 446 Q N 0.356 120.117 119.800 -0.064 0.000 2.135 446 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 446 Q C 2.433 178.460 176.000 0.044 0.000 0.981 446 Q CA 1.856 57.750 55.803 0.152 0.000 0.856 446 Q CB -0.323 28.514 28.738 0.165 0.000 0.902 446 Q HN 0.540 nan 8.270 nan 0.000 0.425 447 A N 0.415 123.209 122.820 -0.042 0.000 1.968 447 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 447 A C 2.219 179.722 177.584 -0.136 0.000 1.169 447 A CA 0.752 52.743 52.037 -0.077 0.000 0.638 447 A CB -0.473 18.472 19.000 -0.091 0.000 0.812 447 A HN 0.286 nan 8.150 nan 0.000 0.446 448 L N -0.725 120.374 121.223 -0.207 0.000 2.072 448 L HA -0.106 4.234 4.340 -0.000 0.000 0.205 448 L C 2.475 179.280 176.870 -0.108 0.000 1.079 448 L CA 0.712 55.328 54.840 -0.374 0.000 0.752 448 L CB -0.504 41.011 42.059 -0.907 0.000 0.906 448 L HN 0.216 nan 8.230 nan 0.000 0.436 449 V N 0.367 120.338 119.914 0.096 0.000 2.332 449 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 449 V C 2.770 178.963 176.094 0.164 0.000 1.055 449 V CA 1.981 64.442 62.300 0.269 0.000 1.038 449 V CB -0.945 31.076 31.823 0.331 0.000 0.651 449 V HN 0.495 nan 8.190 nan 0.000 0.450 450 A N -1.072 121.790 122.820 0.070 0.000 1.930 450 A HA -0.281 4.039 4.320 -0.000 0.000 0.217 450 A C 2.259 179.823 177.584 -0.033 0.000 1.175 450 A CA 2.033 54.086 52.037 0.026 0.000 0.627 450 A CB -0.465 18.537 19.000 0.003 0.000 0.815 450 A HN 0.602 nan 8.150 nan 0.000 0.443 451 Q N -2.200 117.515 119.800 -0.141 0.000 2.096 451 Q HA -0.102 4.238 4.340 -0.000 0.000 0.197 451 Q C 1.150 176.953 176.000 -0.330 0.000 0.964 451 Q CA 1.575 57.169 55.803 -0.349 0.000 0.838 451 Q CB -0.029 28.312 28.738 -0.662 0.000 0.906 451 Q HN 0.821 nan 8.270 nan 0.000 0.444 452 Y N -1.616 118.761 120.300 0.129 0.000 2.426 452 Y HA 0.322 4.872 4.550 -0.000 0.000 0.249 452 Y C 0.958 177.058 175.900 0.333 0.000 1.103 452 Y CA -0.174 58.089 58.100 0.273 0.000 1.256 452 Y CB 1.544 40.231 38.460 0.378 0.000 1.208 452 Y HN 0.295 nan 8.280 nan 0.000 0.519 453 G N 0.886 109.935 108.800 0.415 0.000 2.499 453 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.232 453 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.232 453 G C -0.001 175.141 174.900 0.404 0.000 1.251 453 G CA 0.105 45.412 45.100 0.345 0.000 0.917 453 G HN 0.156 nan 8.290 nan 0.000 0.580 454 D N -0.493 120.096 120.400 0.315 0.000 2.310 454 D HA -0.025 4.615 4.640 -0.000 0.000 0.212 454 D C 1.730 178.181 176.300 0.251 0.000 0.965 454 D CA 1.395 55.545 54.000 0.250 0.000 0.879 454 D CB -0.147 40.751 40.800 0.164 0.000 0.921 454 D HN 0.435 nan 8.370 nan 0.000 0.510 455 W N -0.093 121.268 121.300 0.102 0.000 2.364 455 W HA -0.156 4.504 4.660 -0.000 0.000 0.281 455 W C 1.110 177.463 176.519 -0.276 0.000 1.219 455 W CA 1.047 58.337 57.345 -0.091 0.000 1.220 455 W CB -0.208 29.197 29.460 -0.091 0.000 1.127 455 W HN -0.111 nan 8.180 nan 0.000 0.556 456 F N -0.798 119.374 119.950 0.369 0.000 2.695 456 F HA 0.190 4.717 4.527 0.000 0.000 0.303 456 F C 1.485 177.491 175.800 0.344 0.000 1.091 456 F CA 0.220 58.391 58.000 0.285 0.000 1.300 456 F CB -0.484 38.671 39.000 0.257 0.000 1.071 456 F HN -0.368 nan 8.300 nan 0.000 0.578 457 S N -0.661 115.289 115.700 0.417 0.000 2.565 457 S HA 0.007 4.477 4.470 -0.000 0.000 0.276 457 S C 0.998 175.768 174.600 0.283 0.000 1.326 457 S CA -0.493 57.925 58.200 0.364 0.000 1.045 457 S CB 0.649 63.980 63.200 0.218 0.000 0.918 457 S HN 0.393 nan 8.310 nan 0.000 0.505 458 Y N 3.428 123.810 120.300 0.136 0.000 2.200 458 Y HA -0.085 4.464 4.550 -0.000 0.000 0.290 458 Y C 2.593 178.563 175.900 0.117 0.000 1.137 458 Y CA 2.410 60.601 58.100 0.151 0.000 1.163 458 Y CB -0.452 38.000 38.460 -0.013 0.000 0.988 458 Y HN 0.882 nan 8.280 nan 0.000 0.518 459 T N -3.248 111.319 114.554 0.022 0.000 3.051 459 T HA 0.109 4.459 4.350 -0.000 0.000 0.255 459 T C 1.303 175.947 174.700 -0.093 0.000 1.085 459 T CA 0.548 62.613 62.100 -0.058 0.000 1.109 459 T CB 0.004 68.896 68.868 0.041 0.000 0.921 459 T HN 0.186 nan 8.240 nan 0.000 0.488 460 K N 1.432 121.798 120.400 -0.057 0.000 2.387 460 K HA 0.236 4.556 4.320 -0.000 0.000 0.203 460 K C 0.090 176.647 176.600 -0.070 0.000 1.030 460 K CA -0.349 55.913 56.287 -0.042 0.000 1.099 460 K CB 0.331 32.844 32.500 0.021 0.000 0.863 460 K HN 0.605 nan 8.250 nan 0.000 0.529 461 N N 0.119 118.723 118.700 -0.160 0.000 2.399 461 N HA 0.048 4.788 4.740 -0.000 0.000 0.250 461 N C -2.163 173.178 175.510 -0.281 0.000 1.272 461 N CA -1.095 51.807 53.050 -0.247 0.000 0.928 461 N CB 0.431 38.672 38.487 -0.410 0.000 1.158 461 N HN -0.339 nan 8.380 nan 0.000 0.463 462 P HA -0.180 nan 4.420 nan 0.000 0.215 462 P C 1.054 178.211 177.300 -0.237 0.000 1.157 462 P CA 1.621 64.621 63.100 -0.166 0.000 0.874 462 P CB 0.107 31.760 31.700 -0.079 0.000 0.790 463 R N -0.627 119.669 120.500 -0.340 0.000 2.073 463 R HA -0.073 4.267 4.340 -0.000 0.000 0.234 463 R C 2.334 178.370 176.300 -0.439 0.000 1.134 463 R CA 1.554 57.424 56.100 -0.383 0.000 0.952 463 R CB -1.085 29.022 30.300 -0.321 0.000 0.850 463 R HN 0.126 nan 8.270 nan 0.000 0.433 464 A N 1.512 123.878 122.820 -0.757 0.000 1.917 464 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 464 A C 1.937 179.378 177.584 -0.239 0.000 1.182 464 A CA 1.603 53.242 52.037 -0.662 0.000 0.633 464 A CB -0.319 18.211 19.000 -0.784 0.000 0.819 464 A HN 0.236 nan 8.150 nan 0.000 0.448 465 K N -0.741 119.525 120.400 -0.223 0.000 2.057 465 K HA -0.005 4.315 4.320 -0.000 0.000 0.206 465 K C 1.833 178.367 176.600 -0.110 0.000 1.050 465 K CA 1.393 57.606 56.287 -0.123 0.000 0.935 465 K CB -0.331 32.111 32.500 -0.095 0.000 0.715 465 K HN 0.548 nan 8.250 nan 0.000 0.439 466 I N 0.261 120.736 120.570 -0.158 0.000 2.179 466 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 466 I C 2.010 177.999 176.117 -0.214 0.000 1.088 466 I CA 1.458 62.644 61.300 -0.190 0.000 1.357 466 I CB -0.303 37.568 38.000 -0.215 0.000 1.051 466 I HN 0.055 nan 8.210 nan 0.000 0.409 467 F N 0.836 120.692 119.950 -0.157 0.000 2.126 467 F HA -0.293 4.234 4.527 -0.000 0.000 0.299 467 F C 2.770 178.416 175.800 -0.257 0.000 1.096 467 F CA 1.403 59.291 58.000 -0.186 0.000 1.255 467 F CB -0.390 38.556 39.000 -0.091 0.000 0.997 467 F HN 0.061 nan 8.300 nan 0.000 0.479 468 Q N -0.072 119.744 119.800 0.026 0.000 2.096 468 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 468 Q C 2.158 178.110 176.000 -0.081 0.000 0.982 468 Q CA 2.062 57.855 55.803 -0.017 0.000 0.850 468 Q CB -0.222 28.526 28.738 0.017 0.000 0.901 468 Q HN 0.476 nan 8.270 nan 0.000 0.422 469 R N -0.418 120.029 120.500 -0.088 0.000 2.200 469 R HA -0.011 4.329 4.340 -0.000 0.000 0.208 469 R C 0.549 176.769 176.300 -0.132 0.000 1.033 469 R CA 1.550 57.592 56.100 -0.097 0.000 1.000 469 R CB 0.292 30.544 30.300 -0.080 0.000 0.906 469 R HN 0.072 nan 8.270 nan 0.000 0.462 470 D N 0.127 120.427 120.400 -0.167 0.000 2.479 470 D HA -0.056 4.584 4.640 -0.000 0.000 0.221 470 D C 1.459 177.656 176.300 -0.172 0.000 1.104 470 D CA 0.490 54.375 54.000 -0.192 0.000 0.849 470 D CB 0.381 41.012 40.800 -0.282 0.000 1.072 470 D HN 0.377 nan 8.370 nan 0.000 0.502 471 Q N 1.178 120.858 119.800 -0.200 0.000 2.135 471 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 471 Q C 1.784 177.669 176.000 -0.191 0.000 0.981 471 Q CA 2.221 57.888 55.803 -0.228 0.000 0.856 471 Q CB -0.979 27.405 28.738 -0.589 0.000 0.902 471 Q HN 0.166 nan 8.270 nan 0.000 0.425 472 S N 0.436 116.026 115.700 -0.184 0.000 2.447 472 S HA -0.026 4.444 4.470 -0.000 0.000 0.233 472 S C 1.761 176.314 174.600 -0.078 0.000 1.006 472 S CA 0.808 58.941 58.200 -0.112 0.000 0.957 472 S CB -0.560 62.587 63.200 -0.088 0.000 0.773 472 S HN 0.465 nan 8.310 nan 0.000 0.507 473 L N 1.719 122.889 121.223 -0.088 0.000 2.465 473 L HA 0.199 4.539 4.340 -0.000 0.000 0.224 473 L C 1.260 178.098 176.870 -0.052 0.000 1.145 473 L CA 0.160 54.958 54.840 -0.071 0.000 0.834 473 L CB -0.541 41.462 42.059 -0.093 0.000 0.944 473 L HN 0.361 nan 8.230 nan 0.000 0.451 474 V N 1.037 120.922 119.914 -0.048 0.000 2.381 474 V HA 0.048 4.168 4.120 -0.000 0.000 0.257 474 V C 0.962 177.054 176.094 -0.004 0.000 1.057 474 V CA 0.020 62.308 62.300 -0.019 0.000 1.013 474 V CB 0.431 32.253 31.823 -0.001 0.000 1.069 474 V HN 0.558 nan 8.190 nan 0.000 0.484 475 E N 3.369 123.573 120.200 0.006 0.000 2.562 475 E HA 0.317 4.666 4.350 -0.000 0.000 0.214 475 E C -0.247 176.377 176.600 0.041 0.000 0.979 475 E CA 0.012 56.425 56.400 0.023 0.000 1.002 475 E CB 0.489 30.201 29.700 0.019 0.000 1.048 475 E HN 0.844 nan 8.360 nan 0.000 0.488 476 D N -1.120 119.300 120.400 0.035 0.000 2.792 476 D HA 0.058 4.698 4.640 -0.000 0.000 0.335 476 D C 0.342 176.664 176.300 0.038 0.000 1.353 476 D CA -0.774 53.251 54.000 0.042 0.000 0.839 476 D CB 0.272 41.094 40.800 0.037 0.000 1.396 476 D HN -0.101 nan 8.370 nan 0.000 0.479 477 M N 0.226 119.850 119.600 0.041 0.000 2.099 477 M HA -0.019 4.461 4.480 -0.000 0.000 0.262 477 M C 0.786 177.104 176.300 0.029 0.000 1.067 477 M CA 1.794 57.119 55.300 0.040 0.000 1.124 477 M CB -0.341 32.284 32.600 0.040 0.000 1.353 477 M HN 0.410 nan 8.290 nan 0.000 0.410 478 D N -0.005 120.407 120.400 0.021 0.000 2.144 478 D HA -0.092 4.548 4.640 -0.000 0.000 0.199 478 D C 1.936 178.239 176.300 0.004 0.000 0.984 478 D CA 1.602 55.608 54.000 0.011 0.000 0.834 478 D CB -0.382 40.422 40.800 0.006 0.000 0.955 478 D HN 0.473 nan 8.370 nan 0.000 0.465 479 A N 0.766 123.589 122.820 0.004 0.000 1.972 479 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 479 A C 2.132 179.717 177.584 0.002 0.000 1.169 479 A CA 1.491 53.525 52.037 -0.006 0.000 0.635 479 A CB -0.442 18.553 19.000 -0.008 0.000 0.810 479 A HN 0.157 nan 8.150 nan 0.000 0.446 480 M N -0.060 119.552 119.600 0.021 0.000 2.086 480 M HA -0.081 4.399 4.480 -0.000 0.000 0.261 480 M C 1.877 178.202 176.300 0.042 0.000 1.067 480 M CA 1.862 57.187 55.300 0.041 0.000 1.116 480 M CB -0.636 31.996 32.600 0.054 0.000 1.348 480 M HN 0.104 nan 8.290 nan 0.000 0.407 481 V N 0.433 120.365 119.914 0.029 0.000 2.287 481 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 481 V C 2.457 178.559 176.094 0.013 0.000 1.053 481 V CA 2.234 64.548 62.300 0.024 0.000 1.027 481 V CB -0.874 30.959 31.823 0.016 0.000 0.646 481 V HN 0.484 nan 8.190 nan 0.000 0.447 482 R N -0.687 119.812 120.500 -0.002 0.000 2.073 482 R HA -0.166 4.174 4.340 -0.000 0.000 0.234 482 R C 2.259 178.571 176.300 0.020 0.000 1.134 482 R CA 1.701 57.796 56.100 -0.009 0.000 0.952 482 R CB -0.545 29.739 30.300 -0.026 0.000 0.850 482 R HN 0.396 nan 8.270 nan 0.000 0.433 483 L N 0.383 121.609 121.223 0.005 0.000 2.056 483 L HA -0.092 4.247 4.340 -0.000 0.000 0.207 483 L C 1.961 178.870 176.870 0.065 0.000 1.078 483 L CA 1.726 56.564 54.840 -0.004 0.000 0.749 483 L CB -0.243 41.805 42.059 -0.018 0.000 0.901 483 L HN 0.122 nan 8.230 nan 0.000 0.433 484 M N -0.727 118.924 119.600 0.085 0.000 2.374 484 M HA -0.044 4.436 4.480 -0.000 0.000 0.264 484 M C 1.623 177.977 176.300 0.090 0.000 1.067 484 M CA 1.084 56.451 55.300 0.111 0.000 1.103 484 M CB -0.999 31.666 32.600 0.108 0.000 1.402 484 M HN 0.222 nan 8.290 nan 0.000 0.444 485 R N -1.126 119.411 120.500 0.061 0.000 2.334 485 R HA 0.111 4.451 4.340 -0.000 0.000 0.216 485 R C -0.218 176.100 176.300 0.029 0.000 0.905 485 R CA -0.199 55.913 56.100 0.020 0.000 1.064 485 R CB -0.658 29.618 30.300 -0.039 0.000 1.046 485 R HN 0.233 nan 8.270 nan 0.000 0.508 486 Y N 2.475 122.737 120.300 -0.065 0.000 2.650 486 Y HA 0.042 4.592 4.550 -0.000 0.000 0.331 486 Y C -0.206 175.659 175.900 -0.057 0.000 1.165 486 Y CA -0.082 57.974 58.100 -0.073 0.000 1.473 486 Y CB 0.164 38.563 38.460 -0.100 0.000 1.224 486 Y HN -0.081 nan 8.280 nan 0.000 0.533 487 N N 5.042 123.344 118.700 -0.664 0.000 2.655 487 N HA 0.105 4.845 4.740 -0.000 0.000 0.277 487 N C -2.167 173.041 175.510 -0.503 0.000 1.177 487 N CA -0.417 52.291 53.050 -0.572 0.000 0.882 487 N CB 0.986 39.333 38.487 -0.234 0.000 1.481 487 N HN 0.714 nan 8.380 nan 0.000 0.547 488 D N 3.202 123.250 120.400 -0.587 0.000 2.879 488 D HA 0.137 4.777 4.640 -0.000 0.000 0.351 488 D C 1.009 177.199 176.300 -0.183 0.000 1.239 488 D CA -0.522 53.321 54.000 -0.261 0.000 0.771 488 D CB -0.375 40.344 40.800 -0.134 0.000 1.176 488 D HN 0.429 nan 8.370 nan 0.000 0.496 489 F N -0.353 119.453 119.950 -0.240 0.000 2.293 489 F HA 0.080 4.607 4.527 -0.000 0.000 0.300 489 F C 1.208 176.894 175.800 -0.191 0.000 1.086 489 F CA 0.534 58.426 58.000 -0.180 0.000 1.375 489 F CB -0.548 38.360 39.000 -0.152 0.000 1.045 489 F HN 0.078 nan 8.300 nan 0.000 0.516 490 L N -0.140 120.376 121.223 -1.178 0.000 2.201 490 L HA -0.113 4.227 4.340 -0.000 0.000 0.212 490 L C 2.061 178.464 176.870 -0.777 0.000 1.105 490 L CA 1.005 55.188 54.840 -1.095 0.000 0.775 490 L CB -0.672 40.612 42.059 -1.291 0.000 0.913 490 L HN 0.343 nan 8.230 nan 0.000 0.440 491 H N -2.947 116.003 119.070 -0.201 0.000 3.058 491 H HA 0.182 4.738 4.556 -0.000 0.000 0.258 491 H C 0.072 175.376 175.328 -0.039 0.000 1.015 491 H CA -0.285 55.704 56.048 -0.099 0.000 1.210 491 H CB 0.572 30.284 29.762 -0.083 0.000 1.481 491 H HN 0.092 nan 8.280 nan 0.000 0.492 492 D N 3.678 124.108 120.400 0.050 0.000 2.325 492 D HA 0.049 4.689 4.640 -0.000 0.000 0.251 492 D C -1.389 174.946 176.300 0.059 0.000 1.196 492 D CA -1.953 52.097 54.000 0.084 0.000 0.866 492 D CB 2.165 43.037 40.800 0.121 0.000 1.101 492 D HN 0.057 nan 8.370 nan 0.000 0.476 493 P HA -0.107 nan 4.420 nan 0.000 0.219 493 P C 1.653 178.981 177.300 0.048 0.000 1.146 493 P CA 0.649 63.775 63.100 0.044 0.000 0.808 493 P CB 0.378 32.099 31.700 0.035 0.000 0.779 494 L N -0.745 120.509 121.223 0.051 0.000 2.376 494 L HA -0.023 4.317 4.340 -0.000 0.000 0.219 494 L C 1.934 178.840 176.870 0.060 0.000 1.133 494 L CA 0.940 55.806 54.840 0.044 0.000 0.816 494 L CB -0.731 41.343 42.059 0.024 0.000 0.933 494 L HN -0.043 nan 8.230 nan 0.000 0.449 495 S N -0.206 115.539 115.700 0.075 0.000 2.593 495 S HA 0.194 4.664 4.470 -0.000 0.000 0.217 495 S C 0.751 175.417 174.600 0.111 0.000 0.966 495 S CA -0.068 58.191 58.200 0.099 0.000 0.914 495 S CB -0.091 63.184 63.200 0.125 0.000 0.776 495 S HN 0.192 nan 8.310 nan 0.000 0.523 496 L N 1.885 123.162 121.223 0.089 0.000 2.360 496 L HA 0.242 4.582 4.340 -0.000 0.000 0.276 496 L C 0.226 177.152 176.870 0.095 0.000 1.121 496 L CA -0.495 54.394 54.840 0.082 0.000 0.845 496 L CB 0.572 42.667 42.059 0.060 0.000 1.143 496 L HN 0.233 nan 8.230 nan 0.000 0.452 497 C N 4.602 123.953 119.300 0.085 0.000 2.251 497 C HA 0.276 4.736 4.460 -0.000 0.000 0.323 497 C C 1.544 176.567 174.990 0.054 0.000 1.241 497 C CA -0.680 58.383 59.018 0.075 0.000 1.601 497 C CB 0.156 27.914 27.740 0.029 0.000 2.251 497 C HN 0.862 nan 8.230 nan 0.000 0.488 498 E N 3.345 123.586 120.200 0.069 0.000 2.110 498 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 498 E C 2.166 178.792 176.600 0.042 0.000 0.988 498 E CA 1.666 58.100 56.400 0.056 0.000 0.804 498 E CB -0.259 29.482 29.700 0.069 0.000 0.745 498 E HN 0.923 nan 8.360 nan 0.000 0.458 499 A N 0.390 123.240 122.820 0.050 0.000 2.168 499 A HA -0.053 4.267 4.320 -0.000 0.000 0.215 499 A C 1.313 178.887 177.584 -0.016 0.000 1.152 499 A CA 0.256 52.315 52.037 0.037 0.000 0.716 499 A CB -0.196 18.854 19.000 0.082 0.000 0.794 499 A HN 0.218 nan 8.150 nan 0.000 0.465 500 C N -0.149 119.134 119.300 -0.029 0.000 2.382 500 C HA 0.601 5.060 4.460 -0.000 0.000 0.363 500 C C 0.282 175.217 174.990 -0.091 0.000 1.213 500 C CA -0.681 58.297 59.018 -0.066 0.000 2.363 500 C CB 0.651 28.399 27.740 0.014 0.000 2.397 500 C HN 0.591 nan 8.230 nan 0.000 0.573 501 N N 1.840 120.426 118.700 -0.190 0.000 2.519 501 N HA 0.457 5.197 4.740 -0.000 0.000 0.286 501 N C -2.732 172.643 175.510 -0.226 0.000 1.079 501 N CA -1.261 51.692 53.050 -0.163 0.000 0.878 501 N CB 1.627 40.024 38.487 -0.151 0.000 1.375 501 N HN 0.388 nan 8.380 nan 0.000 0.514 502 P HA 0.180 nan 4.420 nan 0.000 0.274 502 P C 0.101 177.408 177.300 0.011 0.000 1.246 502 P CA -0.197 62.886 63.100 -0.028 0.000 0.795 502 P CB 1.727 33.434 31.700 0.013 0.000 1.006 503 K N -0.022 120.389 120.400 0.019 0.000 2.062 503 K HA 0.055 4.375 4.320 -0.000 0.000 0.205 503 K C -1.453 175.193 176.600 0.076 0.000 1.051 503 K CA 0.773 57.082 56.287 0.037 0.000 0.941 503 K CB -1.537 30.978 32.500 0.025 0.000 0.719 503 K HN 0.530 nan 8.250 nan 0.000 0.440 504 P HA -0.005 nan 4.420 nan 0.000 0.271 504 P C -0.977 176.483 177.300 0.267 0.000 1.216 504 P CA 0.243 63.442 63.100 0.165 0.000 0.771 504 P CB 0.478 32.231 31.700 0.089 0.000 0.864 505 N N 1.765 120.602 118.700 0.229 0.000 2.352 505 N HA 0.298 5.038 4.740 -0.000 0.000 0.291 505 N C 0.417 175.813 175.510 -0.190 0.000 1.040 505 N CA -0.485 52.585 53.050 0.033 0.000 0.864 505 N CB 1.916 40.401 38.487 -0.003 0.000 1.440 505 N HN 0.213 nan 8.380 nan 0.000 0.483 506 A N 2.556 124.929 122.820 -0.745 0.000 2.216 506 A HA -0.104 4.216 4.320 -0.000 0.000 0.214 506 A C 1.607 178.889 177.584 -0.504 0.000 1.160 506 A CA 1.151 52.530 52.037 -1.097 0.000 0.725 506 A CB -0.179 17.929 19.000 -1.488 0.000 0.784 506 A HN 0.790 nan 8.150 nan 0.000 0.472 507 E N 0.949 120.973 120.200 -0.293 0.000 2.285 507 E HA -0.061 4.289 4.350 -0.000 0.000 0.194 507 E C 0.012 176.652 176.600 0.066 0.000 0.997 507 E CA 0.580 56.913 56.400 -0.111 0.000 0.845 507 E CB -0.118 29.598 29.700 0.026 0.000 0.782 507 E HN 0.422 nan 8.360 nan 0.000 0.491 508 N N 1.072 119.806 118.700 0.057 0.000 3.124 508 N HA 0.346 5.086 4.740 -0.000 0.000 0.284 508 N C -1.279 174.255 175.510 0.040 0.000 1.209 508 N CA 0.426 53.544 53.050 0.112 0.000 1.149 508 N CB 0.792 39.366 38.487 0.145 0.000 1.434 508 N HN 0.213 nan 8.380 nan 0.000 0.529 509 A N 0.341 123.190 122.820 0.049 0.000 2.610 509 A HA 0.403 4.723 4.320 -0.000 0.000 0.291 509 A C 0.706 178.352 177.584 0.103 0.000 1.086 509 A CA -0.573 51.458 52.037 -0.010 0.000 0.677 509 A CB 0.631 19.551 19.000 -0.133 0.000 1.278 509 A HN 0.051 nan 8.150 nan 0.000 0.414 510 I N 0.206 120.804 120.570 0.046 0.000 2.179 510 I HA -0.048 4.121 4.170 -0.000 0.000 0.242 510 I C 1.413 177.715 176.117 0.307 0.000 1.088 510 I CA 1.900 63.253 61.300 0.089 0.000 1.357 510 I CB -0.801 37.161 38.000 -0.065 0.000 1.051 510 I HN 0.528 nan 8.210 nan 0.000 0.409 511 S N 1.366 117.114 115.700 0.081 0.000 2.528 511 S HA 0.637 5.107 4.470 -0.000 0.000 0.303 511 S C 0.082 174.431 174.600 -0.418 0.000 1.123 511 S CA -0.728 57.419 58.200 -0.088 0.000 1.138 511 S CB 0.084 63.244 63.200 -0.067 0.000 0.984 511 S HN 0.291 nan 8.310 nan 0.000 0.474 512 A N 4.544 126.758 122.820 -1.010 0.000 2.483 512 A HA 0.497 4.817 4.320 -0.000 0.000 0.238 512 A C 0.456 177.672 177.584 -0.614 0.000 1.070 512 A CA -0.080 51.378 52.037 -0.964 0.000 0.770 512 A CB 0.297 18.366 19.000 -1.552 0.000 1.008 512 A HN 0.751 nan 8.150 nan 0.000 0.497 513 R N 2.540 122.764 120.500 -0.459 0.000 2.629 513 R HA 0.236 4.576 4.340 -0.000 0.000 0.277 513 R C 0.397 176.503 176.300 -0.324 0.000 1.637 513 R CA -0.137 55.780 56.100 -0.305 0.000 1.663 513 R CB 0.519 30.692 30.300 -0.213 0.000 1.228 513 R HN 0.769 nan 8.270 nan 0.000 0.632 514 S N 0.935 116.440 115.700 -0.325 0.000 2.419 514 S HA -0.148 4.322 4.470 -0.000 0.000 0.233 514 S C 1.442 175.944 174.600 -0.163 0.000 1.016 514 S CA 1.448 59.475 58.200 -0.288 0.000 0.974 514 S CB 0.043 63.076 63.200 -0.278 0.000 0.786 514 S HN 0.595 nan 8.310 nan 0.000 0.492 515 D N 1.580 121.935 120.400 -0.074 0.000 2.271 515 D HA -0.165 4.475 4.640 -0.000 0.000 0.207 515 D C 1.415 177.801 176.300 0.143 0.000 0.983 515 D CA 0.887 55.013 54.000 0.209 0.000 0.878 515 D CB -0.304 40.736 40.800 0.399 0.000 0.920 515 D HN 0.399 nan 8.370 nan 0.000 0.479 516 L N -0.337 120.884 121.223 -0.005 0.000 2.585 516 L HA 0.099 4.439 4.340 -0.000 0.000 0.226 516 L C 0.463 177.325 176.870 -0.015 0.000 1.113 516 L CA -0.323 54.522 54.840 0.008 0.000 0.876 516 L CB -0.167 41.896 42.059 0.007 0.000 1.072 516 L HN -0.164 nan 8.230 nan 0.000 0.468 517 N N 2.064 120.703 118.700 -0.102 0.000 2.492 517 N HA 0.124 4.864 4.740 -0.000 0.000 0.262 517 N C -2.285 173.268 175.510 0.072 0.000 1.202 517 N CA -1.152 51.880 53.050 -0.030 0.000 0.926 517 N CB 0.303 38.688 38.487 -0.171 0.000 1.078 517 N HN -0.042 nan 8.380 nan 0.000 0.454 518 P HA 0.042 nan 4.420 nan 0.000 0.271 518 P C -0.011 177.356 177.300 0.112 0.000 1.216 518 P CA -0.147 63.009 63.100 0.093 0.000 0.771 518 P CB 0.707 32.443 31.700 0.061 0.000 0.864 519 A N 4.128 126.979 122.820 0.050 0.000 2.019 519 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 519 A C 1.451 179.044 177.584 0.016 0.000 1.164 519 A CA 1.693 53.755 52.037 0.042 0.000 0.644 519 A CB -1.134 17.867 19.000 0.002 0.000 0.805 519 A HN 0.690 nan 8.150 nan 0.000 0.449 520 N N 0.101 118.788 118.700 -0.021 0.000 2.268 520 N HA 0.212 4.952 4.740 -0.000 0.000 0.204 520 N C 0.650 176.062 175.510 -0.163 0.000 1.124 520 N CA 0.418 53.425 53.050 -0.073 0.000 0.838 520 N CB -0.757 37.694 38.487 -0.059 0.000 0.994 520 N HN 0.233 nan 8.380 nan 0.000 0.489 521 G N -0.368 108.303 108.800 -0.216 0.000 2.594 521 G HA2 0.265 4.225 3.960 -0.000 0.000 0.243 521 G HA3 0.265 4.225 3.960 -0.000 0.000 0.243 521 G C -0.691 173.644 174.900 -0.940 0.000 1.229 521 G CA -0.477 44.266 45.100 -0.596 0.000 0.843 521 G HN 0.266 nan 8.290 nan 0.000 0.578 522 S N 0.228 115.368 115.700 -0.934 0.000 2.438 522 S HA 0.635 5.105 4.470 -0.000 0.000 0.316 522 S C -1.268 172.863 174.600 -0.782 0.000 1.084 522 S CA -0.704 57.094 58.200 -0.670 0.000 1.107 522 S CB 0.025 63.024 63.200 -0.335 0.000 0.981 522 S HN 0.383 nan 8.310 nan 0.000 0.466 523 Y N 4.341 124.517 120.300 -0.207 0.000 2.462 523 Y HA 0.448 4.998 4.550 -0.000 0.000 0.346 523 Y C -1.528 174.276 175.900 -0.159 0.000 0.976 523 Y CA -2.038 55.924 58.100 -0.231 0.000 1.044 523 Y CB 1.237 39.534 38.460 -0.272 0.000 1.230 523 Y HN 0.447 nan 8.280 nan 0.000 0.455 524 P HA 0.007 nan 4.420 nan 0.000 0.227 524 P C -0.646 176.676 177.300 0.037 0.000 1.161 524 P CA 1.018 64.109 63.100 -0.016 0.000 0.788 524 P CB 0.359 32.078 31.700 0.031 0.000 0.822 525 F N -3.796 116.088 119.950 -0.111 0.000 2.686 525 F HA 0.559 5.086 4.527 -0.000 0.000 0.311 525 F C 1.327 176.987 175.800 -0.232 0.000 1.128 525 F CA -1.358 56.510 58.000 -0.219 0.000 0.946 525 F CB 0.142 38.850 39.000 -0.488 0.000 1.336 525 F HN -0.432 nan 8.300 nan 0.000 0.457 526 Q N 1.929 121.639 119.800 -0.151 0.000 2.135 526 Q HA -0.054 4.286 4.340 -0.000 0.000 0.204 526 Q C 1.946 177.727 176.000 -0.365 0.000 0.981 526 Q CA 2.760 58.244 55.803 -0.531 0.000 0.856 526 Q CB -0.624 27.905 28.738 -0.348 0.000 0.902 526 Q HN 0.887 nan 8.270 nan 0.000 0.425 527 A N -0.001 122.742 122.820 -0.129 0.000 2.032 527 A HA -0.140 4.180 4.320 -0.000 0.000 0.221 527 A C 1.885 179.351 177.584 -0.196 0.000 1.165 527 A CA 1.515 53.502 52.037 -0.083 0.000 0.645 527 A CB -0.648 18.424 19.000 0.121 0.000 0.807 527 A HN 0.475 nan 8.150 nan 0.000 0.453 528 L N -0.983 120.013 121.223 -0.379 0.000 2.558 528 L HA 0.078 4.418 4.340 -0.000 0.000 0.225 528 L C 0.933 177.331 176.870 -0.787 0.000 1.128 528 L CA -0.296 54.230 54.840 -0.522 0.000 0.868 528 L CB -0.424 41.232 42.059 -0.671 0.000 1.006 528 L HN 0.448 nan 8.230 nan 0.000 0.454 529 H N 0.230 118.844 119.070 -0.760 0.000 2.660 529 H HA 0.039 4.595 4.556 -0.000 0.000 0.374 529 H C 0.145 175.167 175.328 -0.509 0.000 1.291 529 H CA -0.564 55.024 56.048 -0.766 0.000 1.437 529 H CB 0.694 30.279 29.762 -0.294 0.000 1.509 529 H HN 0.082 nan 8.280 nan 0.000 0.614 530 Q N 1.683 121.380 119.800 -0.173 0.000 2.289 530 Q HA 0.079 4.419 4.340 -0.000 0.000 0.273 530 Q C -0.842 175.199 176.000 0.069 0.000 1.029 530 Q CA 0.045 55.841 55.803 -0.012 0.000 0.896 530 Q CB 0.363 29.152 28.738 0.086 0.000 1.182 530 Q HN 0.557 nan 8.270 nan 0.000 0.385 531 R N 1.959 122.460 120.500 0.002 0.000 2.680 531 R HA 0.543 4.883 4.340 -0.000 0.000 0.269 531 R C -1.359 174.597 176.300 -0.573 0.000 1.026 531 R CA -0.724 55.269 56.100 -0.178 0.000 0.889 531 R CB 0.987 31.145 30.300 -0.236 0.000 1.241 531 R HN 0.501 nan 8.270 nan 0.000 0.463 532 A N 2.340 124.473 122.820 -1.146 0.000 3.063 532 A HA 0.174 4.494 4.320 -0.000 0.000 0.263 532 A C -0.517 176.246 177.584 -1.368 0.000 1.736 532 A CA 0.176 51.312 52.037 -1.502 0.000 1.408 532 A CB -0.675 17.421 19.000 -1.506 0.000 1.108 532 A HN 0.634 nan 8.150 nan 0.000 0.621 533 H N -0.471 117.648 119.070 -1.584 0.000 3.085 533 H HA 0.560 5.116 4.556 -0.000 0.000 0.356 533 H C -0.149 174.635 175.328 -0.906 0.000 1.178 533 H CA 0.521 55.919 56.048 -1.083 0.000 1.214 533 H CB 1.916 31.348 29.762 -0.549 0.000 1.881 533 H HN 0.825 nan 8.280 nan 0.000 0.538 534 G N 0.932 109.277 108.800 -0.759 0.000 2.336 534 G HA2 0.309 4.269 3.960 -0.000 0.000 0.286 534 G HA3 0.309 4.269 3.960 -0.000 0.000 0.286 534 G C -0.649 173.899 174.900 -0.587 0.000 1.269 534 G CA -0.282 44.461 45.100 -0.595 0.000 0.873 534 G HN 0.677 nan 8.290 nan 0.000 0.494 535 G N -0.423 107.910 108.800 -0.777 0.000 2.313 535 G HA2 0.528 4.488 3.960 -0.000 0.000 0.250 535 G HA3 0.528 4.488 3.960 -0.000 0.000 0.250 535 G C 0.936 175.712 174.900 -0.205 0.000 1.281 535 G CA 0.452 45.295 45.100 -0.428 0.000 0.917 535 G HN 1.468 nan 8.290 nan 0.000 0.501 536 I N -1.190 119.322 120.570 -0.097 0.000 4.154 536 I HA 0.430 4.599 4.170 -0.000 0.000 0.334 536 I C -0.282 175.773 176.117 -0.104 0.000 1.371 536 I CA -0.520 60.682 61.300 -0.164 0.000 1.110 536 I CB 0.542 38.442 38.000 -0.166 0.000 1.085 536 I HN 0.443 nan 8.210 nan 0.000 0.398 537 D N -0.136 120.273 120.400 0.016 0.000 2.738 537 D HA 0.482 5.122 4.640 -0.000 0.000 0.308 537 D C -1.382 174.998 176.300 0.132 0.000 1.311 537 D CA -0.640 53.420 54.000 0.100 0.000 0.799 537 D CB 2.398 43.302 40.800 0.173 0.000 1.332 537 D HN -0.091 nan 8.370 nan 0.000 0.441 538 V N -0.503 119.510 119.914 0.165 0.000 2.733 538 V HA 0.764 4.884 4.120 -0.000 0.000 0.306 538 V C -1.824 174.278 176.094 0.014 0.000 1.084 538 V CA -0.509 61.839 62.300 0.080 0.000 0.905 538 V CB 1.700 33.563 31.823 0.067 0.000 1.010 538 V HN 0.675 nan 8.190 nan 0.000 0.424 539 K N 4.449 124.736 120.400 -0.188 0.000 2.324 539 K HA 0.855 5.175 4.320 -0.000 0.000 0.253 539 K C -1.377 174.976 176.600 -0.412 0.000 0.932 539 K CA -0.446 55.571 56.287 -0.450 0.000 0.799 539 K CB 2.369 34.252 32.500 -1.030 0.000 1.154 539 K HN 0.532 nan 8.250 nan 0.000 0.425 540 V N 1.051 120.854 119.914 -0.184 0.000 2.709 540 V HA 0.633 4.753 4.120 -0.000 0.000 0.308 540 V C -0.449 175.725 176.094 0.135 0.000 1.062 540 V CA -0.755 61.552 62.300 0.012 0.000 0.901 540 V CB 2.047 33.891 31.823 0.035 0.000 1.003 540 V HN 0.835 nan 8.190 nan 0.000 0.425 541 T N 1.990 116.703 114.554 0.264 0.000 2.864 541 T HA 0.851 5.201 4.350 -0.000 0.000 0.289 541 T C -0.517 174.307 174.700 0.207 0.000 1.082 541 T CA 0.223 62.469 62.100 0.244 0.000 1.009 541 T CB 2.006 71.071 68.868 0.328 0.000 1.234 541 T HN 1.158 nan 8.240 nan 0.000 0.526 542 S N 0.299 116.074 115.700 0.126 0.000 2.720 542 S HA 0.526 4.995 4.470 -0.000 0.000 0.287 542 S C 0.531 174.992 174.600 -0.232 0.000 1.168 542 S CA -0.661 57.586 58.200 0.079 0.000 0.832 542 S CB 0.745 63.995 63.200 0.084 0.000 1.166 542 S HN 0.602 nan 8.310 nan 0.000 0.493 543 F N 1.837 121.508 119.950 -0.464 0.000 2.065 543 F HA -0.065 4.462 4.527 -0.000 0.000 0.298 543 F C 2.424 177.990 175.800 -0.389 0.000 1.112 543 F CA 2.702 60.264 58.000 -0.730 0.000 1.212 543 F CB -0.950 37.972 39.000 -0.128 0.000 0.975 543 F HN 0.697 nan 8.300 nan 0.000 0.476 544 T N 1.355 115.839 114.554 -0.116 0.000 2.812 544 T HA -0.075 4.275 4.350 -0.000 0.000 0.264 544 T C 2.213 176.903 174.700 -0.017 0.000 1.042 544 T CA 1.328 63.379 62.100 -0.080 0.000 1.140 544 T CB -0.406 68.537 68.868 0.126 0.000 0.870 544 T HN 0.206 nan 8.240 nan 0.000 0.445 545 L N 0.823 122.040 121.223 -0.009 0.000 2.046 545 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 545 L C 3.053 179.913 176.870 -0.016 0.000 1.077 545 L CA 1.355 56.217 54.840 0.037 0.000 0.747 545 L CB -0.756 41.328 42.059 0.042 0.000 0.896 545 L HN 0.265 nan 8.230 nan 0.000 0.432 546 A N 0.104 122.838 122.820 -0.142 0.000 1.930 546 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 546 A C 2.387 179.852 177.584 -0.199 0.000 1.175 546 A CA 1.762 53.720 52.037 -0.132 0.000 0.627 546 A CB -0.440 18.473 19.000 -0.145 0.000 0.815 546 A HN 0.328 nan 8.150 nan 0.000 0.443 547 K N -1.536 118.633 120.400 -0.385 0.000 2.152 547 K HA -0.185 4.135 4.320 -0.000 0.000 0.206 547 K C 0.564 176.826 176.600 -0.563 0.000 1.048 547 K CA 1.635 57.602 56.287 -0.534 0.000 0.933 547 K CB -0.251 31.784 32.500 -0.774 0.000 0.721 547 K HN 0.567 nan 8.250 nan 0.000 0.447 548 Y N 0.345 120.577 120.300 -0.114 0.000 2.571 548 Y HA 0.249 4.799 4.550 -0.000 0.000 0.275 548 Y C -0.203 175.674 175.900 -0.039 0.000 1.179 548 Y CA -0.271 57.790 58.100 -0.065 0.000 1.242 548 Y CB 0.269 38.692 38.460 -0.061 0.000 1.126 548 Y HN -0.034 nan 8.280 nan 0.000 0.524 549 M N 0.538 120.159 119.600 0.035 0.000 2.253 549 M HA -0.239 4.241 4.480 -0.000 0.000 0.195 549 M C -0.135 176.202 176.300 0.062 0.000 0.512 549 M CA 0.825 56.154 55.300 0.048 0.000 0.442 549 M CB -1.935 30.701 32.600 0.060 0.000 1.189 549 M HN 0.322 nan 8.290 nan 0.000 0.923 550 S N 0.520 116.256 115.700 0.059 0.000 2.569 550 S HA 0.958 5.428 4.470 -0.000 0.000 0.280 550 S C -0.470 174.161 174.600 0.051 0.000 1.111 550 S CA -0.735 57.488 58.200 0.039 0.000 0.887 550 S CB 2.174 65.398 63.200 0.040 0.000 1.095 550 S HN 0.541 nan 8.310 nan 0.000 0.476 551 M N 2.492 122.100 119.600 0.014 0.000 2.622 551 M HA 0.592 5.071 4.480 -0.000 0.000 0.276 551 M C -1.998 174.274 176.300 -0.046 0.000 1.265 551 M CA -0.951 54.367 55.300 0.031 0.000 0.850 551 M CB 1.404 34.055 32.600 0.085 0.000 1.720 551 M HN 0.420 nan 8.290 nan 0.000 0.465 552 L N 2.026 123.228 121.223 -0.034 0.000 2.292 552 L HA 0.869 5.208 4.340 -0.000 0.000 0.284 552 L C -0.447 176.363 176.870 -0.100 0.000 1.065 552 L CA -0.625 54.181 54.840 -0.056 0.000 0.806 552 L CB 1.653 43.706 42.059 -0.010 0.000 1.175 552 L HN 0.968 nan 8.230 nan 0.000 0.431 553 A N 3.261 126.010 122.820 -0.119 0.000 2.398 553 A HA 0.837 5.157 4.320 -0.000 0.000 0.301 553 A C -0.884 176.841 177.584 0.235 0.000 1.041 553 A CA -0.451 51.521 52.037 -0.108 0.000 0.711 553 A CB 1.715 20.341 19.000 -0.624 0.000 1.240 553 A HN 0.725 nan 8.150 nan 0.000 0.420 554 A N 1.347 124.408 122.820 0.401 0.000 2.343 554 A HA 0.797 5.117 4.320 -0.000 0.000 0.316 554 A C -0.062 177.807 177.584 0.476 0.000 1.104 554 A CA -0.329 51.993 52.037 0.475 0.000 0.768 554 A CB 1.279 20.448 19.000 0.283 0.000 1.213 554 A HN 1.333 nan 8.150 nan 0.000 0.456 555 S N 1.353 117.210 115.700 0.261 0.000 2.475 555 S HA 0.806 5.276 4.470 -0.000 0.000 0.298 555 S C 0.169 174.896 174.600 0.212 0.000 1.119 555 S CA 0.663 58.744 58.200 -0.198 0.000 1.085 555 S CB 0.849 63.446 63.200 -1.005 0.000 1.028 555 S HN 2.615 nan 8.310 nan 0.000 0.489 556 G N 4.257 113.066 108.800 0.015 0.000 2.515 556 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.686 556 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.686 556 G C -3.547 171.283 174.900 -0.116 0.000 1.274 556 G CA -1.133 43.950 45.100 -0.029 0.000 0.874 556 G HN 0.623 nan 8.290 nan 0.000 0.631 557 P HA 0.349 nan 4.420 nan 0.000 0.269 557 P C 0.692 178.003 177.300 0.017 0.000 1.215 557 P CA 0.201 63.140 63.100 -0.269 0.000 0.780 557 P CB 0.652 32.026 31.700 -0.544 0.000 0.898 558 T N 2.598 117.141 114.554 -0.017 0.000 2.940 558 T HA 0.134 4.484 4.350 -0.000 0.000 0.309 558 T C 0.163 174.946 174.700 0.138 0.000 1.056 558 T CA -0.077 62.035 62.100 0.021 0.000 1.137 558 T CB -0.213 68.613 68.868 -0.069 0.000 0.976 558 T HN 0.573 nan 8.240 nan 0.000 0.547 559 W N 3.900 125.195 121.300 -0.008 0.000 2.007 559 W HA 0.305 4.965 4.660 -0.000 0.000 0.301 559 W C -0.056 176.467 176.519 0.007 0.000 0.887 559 W CA -0.439 56.905 57.345 -0.002 0.000 1.625 559 W CB -0.718 28.740 29.460 -0.003 0.000 1.078 559 W HN 0.527 nan 8.180 nan 0.000 0.502 560 D N 1.835 122.041 120.400 -0.323 0.000 2.117 560 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 560 D C 1.549 177.793 176.300 -0.093 0.000 0.987 560 D CA 2.065 55.884 54.000 -0.301 0.000 0.829 560 D CB 0.054 40.717 40.800 -0.229 0.000 0.961 560 D HN 0.341 nan 8.370 nan 0.000 0.460 561 Q N -1.584 118.195 119.800 -0.035 0.000 2.113 561 Q HA 0.254 4.594 4.340 -0.000 0.000 0.225 561 Q C -0.730 175.292 176.000 0.036 0.000 0.786 561 Q CA -0.122 55.686 55.803 0.009 0.000 0.989 561 Q CB 1.642 30.380 28.738 0.000 0.000 1.174 561 Q HN 0.115 nan 8.270 nan 0.000 0.470 562 C N 2.240 121.579 119.300 0.064 0.000 2.529 562 C HA 0.572 5.031 4.460 -0.000 0.000 0.329 562 C C -2.269 172.805 174.990 0.140 0.000 1.194 562 C CA -1.730 57.350 59.018 0.104 0.000 1.779 562 C CB 1.588 29.394 27.740 0.109 0.000 2.322 562 C HN 0.205 nan 8.230 nan 0.000 0.500 563 P HA 0.209 nan 4.420 nan 0.000 0.271 563 P C -2.659 174.715 177.300 0.123 0.000 1.216 563 P CA -0.822 62.343 63.100 0.108 0.000 0.771 563 P CB -0.334 31.407 31.700 0.067 0.000 0.864 564 P HA 0.026 nan 4.420 nan 0.000 0.265 564 P C -0.223 177.092 177.300 0.024 0.000 1.187 564 P CA 0.207 63.337 63.100 0.051 0.000 0.766 564 P CB 0.090 31.691 31.700 -0.166 0.000 0.820 565 F N 3.277 123.160 119.950 -0.110 0.000 2.484 565 F HA 0.230 4.756 4.527 -0.000 0.000 0.360 565 F C 0.340 176.060 175.800 -0.133 0.000 1.101 565 F CA 0.329 58.211 58.000 -0.196 0.000 1.251 565 F CB 0.551 39.272 39.000 -0.466 0.000 1.132 565 F HN 0.241 nan 8.300 nan 0.000 0.570 566 Q N 5.516 124.697 119.800 -1.031 0.000 2.263 566 Q HA 0.148 4.488 4.340 -0.000 0.000 0.266 566 Q C -0.390 175.041 176.000 -0.949 0.000 1.002 566 Q CA -0.731 54.636 55.803 -0.726 0.000 0.790 566 Q CB 0.839 29.377 28.738 -0.334 0.000 1.272 566 Q HN 0.955 nan 8.270 nan 0.000 0.435 567 W N 1.369 122.258 121.300 -0.685 0.000 2.333 567 W HA -0.249 4.411 4.660 -0.000 0.000 0.316 567 W C 2.402 178.835 176.519 -0.143 0.000 1.215 567 W CA 1.880 58.978 57.345 -0.412 0.000 1.278 567 W CB 0.030 29.236 29.460 -0.422 0.000 1.154 567 W HN 0.761 nan 8.180 nan 0.000 0.486 568 S N -0.194 115.602 115.700 0.159 0.000 2.447 568 S HA -0.109 4.361 4.470 -0.000 0.000 0.233 568 S C 1.112 175.721 174.600 0.014 0.000 1.006 568 S CA 0.969 59.242 58.200 0.122 0.000 0.957 568 S CB -0.321 62.925 63.200 0.076 0.000 0.773 568 S HN 0.256 nan 8.310 nan 0.000 0.507 569 K N 2.071 122.438 120.400 -0.055 0.000 2.981 569 K HA 0.285 4.605 4.320 -0.000 0.000 0.213 569 K C -0.325 176.230 176.600 -0.075 0.000 1.154 569 K CA -0.185 56.056 56.287 -0.077 0.000 1.111 569 K CB 0.731 33.172 32.500 -0.099 0.000 0.975 569 K HN 0.515 nan 8.250 nan 0.000 0.462 570 S N -1.325 114.375 115.700 0.001 0.000 2.667 570 S HA 0.461 4.931 4.470 -0.000 0.000 0.292 570 S C -2.381 172.255 174.600 0.060 0.000 1.126 570 S CA -1.316 56.906 58.200 0.036 0.000 0.881 570 S CB 1.608 64.870 63.200 0.104 0.000 1.132 570 S HN -0.113 nan 8.310 nan 0.000 0.492 571 P HA 0.165 nan 4.420 nan 0.000 0.244 571 P C -0.343 176.609 177.300 -0.580 0.000 1.211 571 P CA 0.593 63.428 63.100 -0.441 0.000 0.760 571 P CB -0.491 30.755 31.700 -0.757 0.000 0.961 572 F N -2.053 118.026 119.950 0.214 0.000 2.775 572 F HA 0.179 4.705 4.527 -0.000 0.000 0.313 572 F C 1.870 177.885 175.800 0.359 0.000 1.121 572 F CA -0.632 57.523 58.000 0.257 0.000 1.206 572 F CB -1.080 38.163 39.000 0.404 0.000 1.052 572 F HN 0.007 nan 8.300 nan 0.000 0.524 573 H N -2.487 116.832 119.070 0.416 0.000 2.460 573 H HA -0.098 4.458 4.556 -0.000 0.000 0.297 573 H C 1.839 177.355 175.328 0.314 0.000 1.103 573 H CA 1.786 58.052 56.048 0.364 0.000 1.292 573 H CB -0.602 29.282 29.762 0.203 0.000 1.376 573 H HN 0.086 nan 8.280 nan 0.000 0.531 574 S N -0.010 115.643 115.700 -0.078 0.000 2.470 574 S HA 0.124 4.594 4.470 -0.000 0.000 0.225 574 S C 0.849 175.495 174.600 0.076 0.000 1.006 574 S CA -0.050 58.158 58.200 0.013 0.000 0.934 574 S CB -0.113 63.033 63.200 -0.090 0.000 0.778 574 S HN 0.309 nan 8.310 nan 0.000 0.517 575 M N 1.949 121.639 119.600 0.150 0.000 2.251 575 M HA 0.053 4.533 4.480 -0.000 0.000 0.343 575 M C -0.222 176.079 176.300 0.000 0.000 1.245 575 M CA 0.350 55.717 55.300 0.111 0.000 1.061 575 M CB 0.102 32.843 32.600 0.234 0.000 1.723 575 M HN 0.188 nan 8.290 nan 0.000 0.449 576 L N 5.437 126.623 121.223 -0.063 0.000 2.513 576 L HA -0.035 4.304 4.340 -0.000 0.000 0.272 576 L C 0.750 177.490 176.870 -0.216 0.000 1.187 576 L CA 0.341 55.083 54.840 -0.163 0.000 0.895 576 L CB -0.010 41.982 42.059 -0.111 0.000 1.147 576 L HN 0.777 nan 8.230 nan 0.000 0.483 577 H N 3.096 121.943 119.070 -0.371 0.000 3.038 577 H HA 0.220 4.776 4.556 -0.000 0.000 0.223 577 H C -0.392 174.838 175.328 -0.163 0.000 1.400 577 H CA -0.686 55.126 56.048 -0.393 0.000 1.153 577 H CB -0.448 28.680 29.762 -1.056 0.000 2.234 577 H HN 0.486 nan 8.280 nan 0.000 0.541 578 M N 1.175 120.670 119.600 -0.174 0.000 2.255 578 M HA 0.081 4.561 4.480 -0.000 0.000 0.356 578 M C 1.339 177.672 176.300 0.054 0.000 1.338 578 M CA 2.238 57.496 55.300 -0.071 0.000 0.962 578 M CB 0.379 32.968 32.600 -0.018 0.000 1.877 578 M HN 0.817 nan 8.290 nan 0.000 0.463 579 G N 1.763 110.605 108.800 0.070 0.000 2.179 579 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.260 579 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.260 579 G C 0.002 174.994 174.900 0.154 0.000 0.977 579 G CA -0.124 45.044 45.100 0.114 0.000 0.641 579 G HN 0.686 nan 8.290 nan 0.000 0.533 580 Q N 0.784 120.720 119.800 0.226 0.000 2.235 580 Q HA 0.461 4.801 4.340 -0.000 0.000 0.250 580 Q C -2.312 173.858 176.000 0.283 0.000 0.909 580 Q CA -1.913 54.115 55.803 0.374 0.000 0.910 580 Q CB 1.231 30.372 28.738 0.672 0.000 1.223 580 Q HN 0.146 nan 8.270 nan 0.000 0.432 581 P HA -0.131 nan 4.420 nan 0.000 0.264 581 P C -0.049 177.317 177.300 0.110 0.000 1.179 581 P CA 0.397 63.434 63.100 -0.104 0.000 0.763 581 P CB 0.598 31.962 31.700 -0.561 0.000 0.806 582 D N 1.850 122.309 120.400 0.097 0.000 2.097 582 D HA -0.082 4.558 4.640 -0.000 0.000 0.197 582 D C 0.239 176.587 176.300 0.078 0.000 0.984 582 D CA 1.016 55.141 54.000 0.207 0.000 0.826 582 D CB -0.094 40.776 40.800 0.116 0.000 0.973 582 D HN 0.165 nan 8.370 nan 0.000 0.460 583 L N 0.131 121.257 121.223 -0.162 0.000 2.317 583 L HA 0.446 4.786 4.340 -0.000 0.000 0.281 583 L C -1.602 174.973 176.870 -0.491 0.000 1.024 583 L CA -0.635 54.052 54.840 -0.256 0.000 0.810 583 L CB 1.404 43.290 42.059 -0.288 0.000 1.240 583 L HN -0.021 nan 8.230 nan 0.000 0.427 584 W N 6.992 128.083 121.300 -0.348 0.000 2.347 584 W HA 0.535 5.195 4.660 -0.000 0.000 0.321 584 W C 0.146 176.271 176.519 -0.657 0.000 0.971 584 W CA -0.264 56.848 57.345 -0.390 0.000 1.508 584 W CB 1.067 30.470 29.460 -0.095 0.000 1.299 584 W HN 0.376 nan 8.180 nan 0.000 0.399 585 M N 3.666 122.671 119.600 -0.993 0.000 3.404 585 M HA 0.290 4.770 4.480 -0.000 0.000 0.398 585 M C -1.392 174.329 176.300 -0.964 0.000 1.599 585 M CA -0.341 54.122 55.300 -1.396 0.000 0.696 585 M CB 0.282 32.121 32.600 -1.269 0.000 1.427 585 M HN 0.017 nan 8.290 nan 0.000 0.502 586 F N -0.545 119.383 119.950 -0.036 0.000 2.379 586 F HA 0.471 4.997 4.527 -0.000 0.000 0.332 586 F C 0.892 176.979 175.800 0.477 0.000 1.096 586 F CA -0.255 57.850 58.000 0.174 0.000 1.105 586 F CB 1.243 40.314 39.000 0.119 0.000 1.189 586 F HN 0.009 nan 8.300 nan 0.000 0.515 587 S N 2.015 118.052 115.700 0.562 0.000 2.687 587 S HA 0.507 4.977 4.470 -0.000 0.000 0.283 587 S C -2.431 172.362 174.600 0.322 0.000 1.170 587 S CA -1.258 57.197 58.200 0.425 0.000 1.008 587 S CB 1.062 64.454 63.200 0.321 0.000 1.026 587 S HN 0.262 nan 8.310 nan 0.000 0.541 588 P HA 0.215 nan 4.420 nan 0.000 0.267 588 P C -0.948 176.434 177.300 0.136 0.000 1.200 588 P CA -0.066 63.141 63.100 0.178 0.000 0.772 588 P CB 0.050 31.812 31.700 0.103 0.000 0.855 589 I N -1.273 119.355 120.570 0.098 0.000 2.828 589 I HA 0.568 4.738 4.170 -0.000 0.000 0.302 589 I C -0.249 175.833 176.117 -0.059 0.000 1.101 589 I CA -1.284 60.031 61.300 0.025 0.000 1.031 589 I CB 1.729 39.748 38.000 0.033 0.000 1.231 589 I HN -0.018 nan 8.210 nan 0.000 0.427 590 R N 2.721 123.179 120.500 -0.070 0.000 2.347 590 R HA 0.518 4.858 4.340 -0.000 0.000 0.304 590 R C -1.239 174.956 176.300 -0.175 0.000 1.072 590 R CA -0.452 55.586 56.100 -0.102 0.000 0.980 590 R CB 1.320 31.574 30.300 -0.077 0.000 0.986 590 R HN 0.610 nan 8.270 nan 0.000 0.448 591 V N 7.312 127.098 119.914 -0.212 0.000 2.350 591 V HA 0.292 4.412 4.120 -0.000 0.000 0.285 591 V C -1.933 174.032 176.094 -0.215 0.000 1.014 591 V CA -1.672 60.445 62.300 -0.306 0.000 0.831 591 V CB 1.610 33.202 31.823 -0.385 0.000 1.000 591 V HN 0.679 nan 8.190 nan 0.000 0.433 592 P HA 0.000 nan 4.420 nan 0.000 0.216 592 P CA 0.000 62.879 63.100 -0.368 0.000 0.800 592 P CB 0.000 31.553 31.700 -0.245 0.000 0.726