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 3loy_1_B DATA FIRST_RESID 2 DATA SEQUENCE VHPYDPISDA ELQLTSQLIK DATKGPERPH FIQIDRLDPP KKDMIRYLEA DATA SEQUENCE ERTGKPLPHI SRMTYVYYYI GLDFYKALVN VSYGHIITNQ KQPKGVIGPL DATA SEQUENCE IAEDIQEIEE LATTHPIVKA EIEKLKLPPH VRVVCDPWMN GTDSKEDRML DATA SEQUENCE IQCYMYLASA AHPESNHYSL PLKFSPVFEC LTKKFVRMDY LPGGADETVT DATA SEQUENCE ETQAWDEFPF VEYHPDLNGE TIVPLKPLIV QQPEGPSFNV DGHKISWQGW DATA SEQUENCE EFFVIPTVRE GFAIYDIHFK GRSVVYRLSL SEMTVPYGDP RAPFHRKQAF DATA SEQUENCE DLGDCGFGAT GNSLALGCDc LGVIKYMDCR RVNTNGDSVL IPNTVcLHEQ DATA SEQUENCE DGGLLYKHTN YRTNVPVIAR RREFVVQTIA TVANXEYMLN IIFDQAGEIR DATA SEQUENCE IHVRATGILS TMPLDKDVTV PWGTNVGPRV MAAYHQHMLS FRIDPAVDGY DATA SEQUENCE ENTVVFDDVI RMEKNTKLNP YNVGFVTERT VVEKPGYVEQ SPFTNRSYKI DATA SEQUENCE INENKINPIS KKPVAYKIMM PARQMLLADE DSYNNKRAQF ATQQVWVTKY DATA SEQUENCE RDNELYAAGE FTNQSQTDTG LGVWARRDEN VRNDNPVVWA TLGFTHIPRV DATA SEQUENCE EDFPVMPVEA HEIALVPFGF FDKNPALSVP QST 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.115 176.094 0.036 0.000 1.182 2 V CA 0.000 62.338 62.300 0.063 0.000 1.235 2 V CB 0.000 31.830 31.823 0.012 0.000 1.184 3 H N 6.079 125.135 119.070 -0.022 0.000 2.582 3 H HA 0.302 4.857 4.556 -0.002 0.000 0.345 3 H C -1.865 173.294 175.328 -0.281 0.000 1.104 3 H CA -1.392 54.594 56.048 -0.103 0.000 1.390 3 H CB 2.520 32.283 29.762 0.001 0.000 1.461 3 H HN 0.246 nan 8.280 nan 0.000 0.551 4 P HA -0.121 nan 4.420 nan 0.000 0.221 4 P C 0.614 177.637 177.300 -0.462 0.000 1.145 4 P CA 1.353 64.015 63.100 -0.730 0.000 0.795 4 P CB -0.128 30.909 31.700 -1.105 0.000 0.775 5 Y N -1.108 118.997 120.300 -0.324 0.000 2.544 5 Y HA -0.004 4.544 4.550 -0.002 0.000 0.286 5 Y C 0.808 176.534 175.900 -0.290 0.000 1.141 5 Y CA -0.814 57.037 58.100 -0.414 0.000 1.299 5 Y CB -0.266 37.791 38.460 -0.671 0.000 1.030 5 Y HN -0.099 nan 8.280 nan 0.000 0.543 6 D N 2.136 122.526 120.400 -0.018 0.000 2.515 6 D HA -0.042 4.597 4.640 -0.002 0.000 0.232 6 D C -2.108 174.112 176.300 -0.134 0.000 1.157 6 D CA -1.006 52.931 54.000 -0.107 0.000 0.871 6 D CB 0.284 41.077 40.800 -0.012 0.000 1.200 6 D HN 0.069 nan 8.370 nan 0.000 0.466 7 P HA 0.094 nan 4.420 nan 0.000 0.272 7 P C 0.344 177.624 177.300 -0.034 0.000 1.240 7 P CA -0.511 62.542 63.100 -0.078 0.000 0.791 7 P CB 0.699 32.365 31.700 -0.055 0.000 0.978 8 I N 1.047 121.607 120.570 -0.017 0.000 2.775 8 I HA -0.076 4.093 4.170 -0.002 0.000 0.290 8 I C 0.922 177.029 176.117 -0.017 0.000 1.203 8 I CA 0.529 61.811 61.300 -0.030 0.000 1.433 8 I CB 0.428 38.397 38.000 -0.052 0.000 1.354 8 I HN 0.450 nan 8.210 nan 0.000 0.579 9 S N 4.558 120.244 115.700 -0.024 0.000 2.669 9 S HA 0.223 4.691 4.470 -0.002 0.000 0.270 9 S C 0.797 175.380 174.600 -0.029 0.000 1.225 9 S CA -0.731 57.462 58.200 -0.012 0.000 0.991 9 S CB 1.444 64.636 63.200 -0.013 0.000 0.987 9 S HN 0.672 nan 8.310 nan 0.000 0.552 10 D N 1.435 121.822 120.400 -0.022 0.000 2.133 10 D HA -0.140 4.498 4.640 -0.002 0.000 0.192 10 D C 2.195 178.463 176.300 -0.053 0.000 1.001 10 D CA 2.080 56.058 54.000 -0.037 0.000 0.844 10 D CB -0.898 39.885 40.800 -0.027 0.000 0.944 10 D HN 0.715 nan 8.370 nan 0.000 0.447 11 A N 0.827 123.619 122.820 -0.046 0.000 1.902 11 A HA -0.201 4.118 4.320 -0.002 0.000 0.217 11 A C 2.111 179.653 177.584 -0.070 0.000 1.181 11 A CA 1.610 53.614 52.037 -0.055 0.000 0.623 11 A CB -0.547 18.426 19.000 -0.046 0.000 0.818 11 A HN 0.223 nan 8.150 nan 0.000 0.443 12 E N -0.536 119.623 120.200 -0.069 0.000 2.110 12 E HA -0.144 4.205 4.350 -0.002 0.000 0.193 12 E C 1.986 178.526 176.600 -0.099 0.000 0.988 12 E CA 1.094 57.445 56.400 -0.081 0.000 0.804 12 E CB -0.223 29.432 29.700 -0.075 0.000 0.745 12 E HN 0.642 nan 8.360 nan 0.000 0.458 13 L N 0.689 121.850 121.223 -0.104 0.000 2.056 13 L HA -0.216 4.122 4.340 -0.002 0.000 0.207 13 L C 2.204 178.973 176.870 -0.169 0.000 1.078 13 L CA 1.355 56.113 54.840 -0.136 0.000 0.749 13 L CB 0.028 42.014 42.059 -0.122 0.000 0.901 13 L HN 0.121 nan 8.230 nan 0.000 0.433 14 Q N -0.722 118.991 119.800 -0.145 0.000 2.187 14 Q HA -0.187 4.152 4.340 -0.002 0.000 0.199 14 Q C 2.116 178.028 176.000 -0.147 0.000 0.957 14 Q CA 1.231 56.938 55.803 -0.161 0.000 0.857 14 Q CB -0.077 28.588 28.738 -0.120 0.000 0.929 14 Q HN 0.446 nan 8.270 nan 0.000 0.453 15 L N 0.483 121.637 121.223 -0.115 0.000 2.046 15 L HA -0.170 4.169 4.340 -0.002 0.000 0.208 15 L C 2.056 178.865 176.870 -0.102 0.000 1.077 15 L CA 1.942 56.724 54.840 -0.097 0.000 0.747 15 L CB -0.790 41.219 42.059 -0.083 0.000 0.896 15 L HN 0.072 nan 8.230 nan 0.000 0.432 16 T N -0.589 113.896 114.554 -0.116 0.000 2.684 16 T HA -0.186 4.162 4.350 -0.002 0.000 0.267 16 T C 2.024 176.642 174.700 -0.136 0.000 1.036 16 T CA 1.886 63.924 62.100 -0.103 0.000 1.148 16 T CB -0.527 68.273 68.868 -0.113 0.000 0.863 16 T HN 0.708 nan 8.240 nan 0.000 0.436 17 S N 1.308 116.840 115.700 -0.280 0.000 2.383 17 S HA -0.148 4.321 4.470 -0.002 0.000 0.227 17 S C 2.117 176.586 174.600 -0.218 0.000 1.026 17 S CA 1.114 59.017 58.200 -0.495 0.000 0.981 17 S CB -0.521 62.015 63.200 -1.106 0.000 0.818 17 S HN 0.272 nan 8.310 nan 0.000 0.472 18 Q N 1.612 121.315 119.800 -0.163 0.000 2.077 18 Q HA -0.015 4.323 4.340 -0.002 0.000 0.206 18 Q C 2.028 178.006 176.000 -0.038 0.000 0.989 18 Q CA 1.897 57.653 55.803 -0.079 0.000 0.853 18 Q CB -0.910 27.785 28.738 -0.071 0.000 0.907 18 Q HN 0.683 nan 8.270 nan 0.000 0.418 19 L N -0.538 120.662 121.223 -0.039 0.000 2.083 19 L HA -0.179 4.160 4.340 -0.002 0.000 0.209 19 L C 2.093 178.954 176.870 -0.016 0.000 1.083 19 L CA 0.574 55.406 54.840 -0.015 0.000 0.752 19 L CB -0.423 41.633 42.059 -0.005 0.000 0.899 19 L HN 0.305 nan 8.230 nan 0.000 0.433 20 I N -0.054 120.502 120.570 -0.023 0.000 2.252 20 I HA -0.243 3.926 4.170 -0.002 0.000 0.245 20 I C 2.421 178.490 176.117 -0.079 0.000 1.102 20 I CA 1.452 62.691 61.300 -0.101 0.000 1.385 20 I CB -0.959 36.910 38.000 -0.219 0.000 1.064 20 I HN 0.254 nan 8.210 nan 0.000 0.414 21 K N 0.744 121.167 120.400 0.038 0.000 2.032 21 K HA -0.204 4.115 4.320 -0.002 0.000 0.209 21 K C 1.703 178.302 176.600 -0.002 0.000 1.048 21 K CA 1.750 58.059 56.287 0.037 0.000 0.927 21 K CB -0.172 32.372 32.500 0.074 0.000 0.712 21 K HN 0.246 nan 8.250 nan 0.000 0.441 22 D N 0.406 120.805 120.400 -0.003 0.000 2.182 22 D HA -0.137 4.502 4.640 -0.002 0.000 0.201 22 D C 1.605 177.902 176.300 -0.006 0.000 0.986 22 D CA 1.272 55.271 54.000 -0.001 0.000 0.847 22 D CB -0.115 40.687 40.800 0.003 0.000 0.942 22 D HN 0.259 nan 8.370 nan 0.000 0.467 23 A N -0.184 122.624 122.820 -0.019 0.000 2.169 23 A HA 0.053 4.372 4.320 -0.002 0.000 0.212 23 A C 1.015 178.579 177.584 -0.033 0.000 1.153 23 A CA 0.408 52.435 52.037 -0.017 0.000 0.756 23 A CB 0.023 19.016 19.000 -0.012 0.000 0.813 23 A HN 0.076 nan 8.150 nan 0.000 0.471 24 T N 2.406 116.929 114.554 -0.052 0.000 2.738 24 T HA 0.343 4.692 4.350 -0.002 0.000 0.298 24 T C -0.334 174.351 174.700 -0.024 0.000 0.962 24 T CA -0.436 61.629 62.100 -0.058 0.000 0.972 24 T CB 0.765 69.576 68.868 -0.095 0.000 0.928 24 T HN 0.081 nan 8.240 nan 0.000 0.474 25 K N 2.407 122.799 120.400 -0.013 0.000 2.143 25 K HA 0.751 5.070 4.320 -0.002 0.000 0.272 25 K C 0.767 177.371 176.600 0.006 0.000 1.001 25 K CA -0.253 56.035 56.287 0.001 0.000 0.915 25 K CB 1.448 33.951 32.500 0.006 0.000 1.047 25 K HN 0.947 nan 8.250 nan 0.000 0.458 26 G N 2.762 111.568 108.800 0.011 0.000 2.422 26 G HA2 -0.138 3.821 3.960 -0.002 0.000 0.607 26 G HA3 -0.138 3.821 3.960 -0.002 0.000 0.607 26 G C -2.112 172.799 174.900 0.019 0.000 1.270 26 G CA -0.459 44.651 45.100 0.016 0.000 0.992 26 G HN 0.397 nan 8.290 nan 0.000 0.499 27 P HA 0.167 nan 4.420 nan 0.000 0.238 27 P C 0.335 177.654 177.300 0.031 0.000 1.183 27 P CA 0.622 63.737 63.100 0.025 0.000 0.813 27 P CB 0.076 31.790 31.700 0.023 0.000 0.944 28 E N 2.113 122.333 120.200 0.034 0.000 2.220 28 E HA 0.154 4.503 4.350 -0.002 0.000 0.272 28 E C -0.059 176.568 176.600 0.045 0.000 1.099 28 E CA -0.522 55.904 56.400 0.043 0.000 0.907 28 E CB 0.426 30.156 29.700 0.050 0.000 1.022 28 E HN 0.034 nan 8.360 nan 0.000 0.428 29 R N 3.101 123.633 120.500 0.054 0.000 2.531 29 R HA 0.271 4.610 4.340 -0.002 0.000 0.273 29 R C -2.262 174.067 176.300 0.048 0.000 1.070 29 R CA -2.895 53.235 56.100 0.049 0.000 1.112 29 R CB -0.673 29.668 30.300 0.069 0.000 1.049 29 R HN 0.391 nan 8.270 nan 0.000 0.508 30 P HA -0.009 nan 4.420 nan 0.000 0.264 30 P C -0.587 176.614 177.300 -0.165 0.000 1.193 30 P CA 0.279 63.261 63.100 -0.196 0.000 0.763 30 P CB 0.185 31.459 31.700 -0.710 0.000 0.810 31 H N 3.725 122.739 119.070 -0.093 0.000 2.685 31 H HA 0.372 4.926 4.556 -0.002 0.000 0.286 31 H C -0.636 174.738 175.328 0.078 0.000 1.102 31 H CA -0.605 55.477 56.048 0.058 0.000 1.254 31 H CB -0.595 29.268 29.762 0.168 0.000 1.397 31 H HN 0.165 nan 8.280 nan 0.000 0.473 32 F N 5.112 125.093 119.950 0.052 0.000 2.471 32 F HA 0.021 4.547 4.527 -0.002 0.000 0.353 32 F C 0.876 176.756 175.800 0.134 0.000 1.113 32 F CA -0.150 57.932 58.000 0.136 0.000 1.262 32 F CB 0.569 39.601 39.000 0.053 0.000 1.146 32 F HN 0.555 nan 8.300 nan 0.000 0.578 33 I N 0.282 121.124 120.570 0.453 0.000 3.812 33 I HA 0.142 4.311 4.170 -0.002 0.000 0.292 33 I C -0.033 176.307 176.117 0.371 0.000 1.206 33 I CA 0.645 62.205 61.300 0.432 0.000 1.370 33 I CB -0.141 38.217 38.000 0.597 0.000 1.328 33 I HN 0.545 nan 8.210 nan 0.000 0.453 34 Q N 0.541 120.549 119.800 0.348 0.000 2.438 34 Q HA 0.562 4.901 4.340 -0.002 0.000 0.272 34 Q C -1.968 173.986 176.000 -0.078 0.000 0.994 34 Q CA -0.274 55.616 55.803 0.146 0.000 0.887 34 Q CB 3.140 32.001 28.738 0.204 0.000 1.432 34 Q HN 0.101 nan 8.270 nan 0.000 0.392 35 I N 2.307 122.752 120.570 -0.208 0.000 2.607 35 I HA 0.510 4.678 4.170 -0.002 0.000 0.290 35 I C -1.154 174.650 176.117 -0.521 0.000 1.129 35 I CA -0.624 60.410 61.300 -0.444 0.000 1.042 35 I CB 2.194 40.047 38.000 -0.246 0.000 1.242 35 I HN 0.592 nan 8.210 nan 0.000 0.421 36 D N 3.876 123.737 120.400 -0.899 0.000 2.643 36 D HA 0.291 4.930 4.640 -0.002 0.000 0.283 36 D C -1.256 174.861 176.300 -0.306 0.000 1.242 36 D CA -0.636 53.117 54.000 -0.411 0.000 0.863 36 D CB 2.466 43.202 40.800 -0.107 0.000 1.382 36 D HN 0.427 nan 8.370 nan 0.000 0.444 37 R N 1.899 122.366 120.500 -0.055 0.000 2.357 37 R HA 0.374 4.712 4.340 -0.002 0.000 0.296 37 R C -0.603 175.781 176.300 0.141 0.000 1.052 37 R CA -0.349 55.758 56.100 0.012 0.000 0.988 37 R CB 0.257 30.556 30.300 -0.001 0.000 1.025 37 R HN 0.469 nan 8.270 nan 0.000 0.469 38 L N 2.859 124.180 121.223 0.163 0.000 2.439 38 L HA 0.099 4.438 4.340 -0.002 0.000 0.269 38 L C 0.407 177.355 176.870 0.131 0.000 1.179 38 L CA -0.357 54.597 54.840 0.190 0.000 0.828 38 L CB 0.482 42.642 42.059 0.167 0.000 1.106 38 L HN 0.607 nan 8.230 nan 0.000 0.467 39 D N 2.777 123.275 120.400 0.162 0.000 2.419 39 D HA 0.087 4.725 4.640 -0.002 0.000 0.236 39 D C -1.996 174.370 176.300 0.109 0.000 1.165 39 D CA -0.636 53.469 54.000 0.176 0.000 0.882 39 D CB 0.284 41.251 40.800 0.279 0.000 1.201 39 D HN 0.278 nan 8.370 nan 0.000 0.443 40 P HA 0.182 nan 4.420 nan 0.000 0.272 40 P C -2.638 174.695 177.300 0.055 0.000 1.223 40 P CA -1.179 61.905 63.100 -0.027 0.000 0.784 40 P CB -0.224 31.357 31.700 -0.199 0.000 0.923 41 P HA 0.054 nan 4.420 nan 0.000 0.265 41 P C 1.044 178.368 177.300 0.039 0.000 1.193 41 P CA 0.103 63.238 63.100 0.058 0.000 0.765 41 P CB 0.442 32.161 31.700 0.031 0.000 0.823 42 K N 4.622 125.053 120.400 0.051 0.000 2.001 42 K HA -0.213 4.106 4.320 -0.002 0.000 0.208 42 K C 1.843 178.317 176.600 -0.210 0.000 1.048 42 K CA 1.683 57.894 56.287 -0.125 0.000 0.932 42 K CB -0.176 32.044 32.500 -0.467 0.000 0.715 42 K HN 0.267 nan 8.250 nan 0.000 0.437 43 K N 0.565 120.867 120.400 -0.163 0.000 2.059 43 K HA -0.230 4.088 4.320 -0.002 0.000 0.212 43 K C 1.358 177.900 176.600 -0.097 0.000 1.050 43 K CA 2.365 58.564 56.287 -0.147 0.000 0.927 43 K CB -0.188 32.266 32.500 -0.078 0.000 0.714 43 K HN 0.172 nan 8.250 nan 0.000 0.447 44 D N 0.326 120.694 120.400 -0.054 0.000 2.117 44 D HA -0.153 4.485 4.640 -0.002 0.000 0.198 44 D C 1.899 178.183 176.300 -0.025 0.000 0.982 44 D CA 1.324 55.308 54.000 -0.028 0.000 0.828 44 D CB -0.200 40.587 40.800 -0.022 0.000 0.967 44 D HN 0.288 nan 8.370 nan 0.000 0.464 45 M N 0.340 119.910 119.600 -0.050 0.000 2.254 45 M HA 0.035 4.514 4.480 -0.002 0.000 0.265 45 M C 1.784 178.110 176.300 0.044 0.000 1.066 45 M CA 0.903 56.169 55.300 -0.055 0.000 1.123 45 M CB -0.226 32.327 32.600 -0.079 0.000 1.388 45 M HN -0.084 nan 8.290 nan 0.000 0.425 46 I N -0.503 120.051 120.570 -0.027 0.000 2.264 46 I HA -0.338 3.831 4.170 -0.002 0.000 0.248 46 I C 2.198 178.333 176.117 0.029 0.000 1.111 46 I CA 1.285 62.555 61.300 -0.050 0.000 1.382 46 I CB -0.327 37.442 38.000 -0.385 0.000 1.060 46 I HN 0.301 nan 8.210 nan 0.000 0.418 47 R N -0.611 119.897 120.500 0.014 0.000 2.090 47 R HA -0.172 4.167 4.340 -0.002 0.000 0.228 47 R C 2.322 178.660 176.300 0.063 0.000 1.110 47 R CA 1.340 57.461 56.100 0.034 0.000 0.973 47 R CB -0.532 29.779 30.300 0.018 0.000 0.869 47 R HN 0.330 nan 8.270 nan 0.000 0.440 48 Y N 1.593 121.860 120.300 -0.054 0.000 2.128 48 Y HA -0.257 4.292 4.550 -0.002 0.000 0.284 48 Y C 1.888 177.770 175.900 -0.030 0.000 1.154 48 Y CA 1.634 59.688 58.100 -0.077 0.000 1.149 48 Y CB -0.136 38.220 38.460 -0.173 0.000 0.976 48 Y HN -0.058 nan 8.280 nan 0.000 0.505 49 L N -0.090 121.290 121.223 0.262 0.000 2.017 49 L HA -0.212 4.127 4.340 -0.002 0.000 0.208 49 L C 2.513 179.466 176.870 0.139 0.000 1.073 49 L CA 1.612 56.603 54.840 0.251 0.000 0.745 49 L CB -0.740 41.527 42.059 0.347 0.000 0.894 49 L HN 0.189 nan 8.230 nan 0.000 0.432 50 E N 0.714 120.991 120.200 0.129 0.000 2.086 50 E HA -0.281 4.068 4.350 -0.002 0.000 0.200 50 E C 2.113 178.725 176.600 0.019 0.000 1.012 50 E CA 2.013 58.467 56.400 0.090 0.000 0.812 50 E CB -0.260 29.492 29.700 0.087 0.000 0.743 50 E HN 0.412 nan 8.360 nan 0.000 0.453 51 A N 0.302 123.095 122.820 -0.044 0.000 1.930 51 A HA -0.169 4.150 4.320 -0.002 0.000 0.217 51 A C 2.216 179.725 177.584 -0.124 0.000 1.175 51 A CA 1.739 53.718 52.037 -0.097 0.000 0.627 51 A CB -0.615 18.292 19.000 -0.155 0.000 0.815 51 A HN 0.444 nan 8.150 nan 0.000 0.443 52 E N 0.390 120.492 120.200 -0.163 0.000 2.107 52 E HA -0.243 4.106 4.350 -0.002 0.000 0.191 52 E C 2.170 178.764 176.600 -0.010 0.000 0.982 52 E CA 1.248 57.580 56.400 -0.114 0.000 0.809 52 E CB -0.140 29.514 29.700 -0.077 0.000 0.756 52 E HN 0.740 nan 8.360 nan 0.000 0.459 53 R N 0.187 120.701 120.500 0.023 0.000 2.073 53 R HA -0.048 4.290 4.340 -0.002 0.000 0.229 53 R C 2.154 178.460 176.300 0.010 0.000 1.120 53 R CA 1.795 57.912 56.100 0.028 0.000 0.967 53 R CB -1.063 29.262 30.300 0.040 0.000 0.862 53 R HN 0.118 nan 8.270 nan 0.000 0.436 54 T N -2.944 111.613 114.554 0.005 0.000 3.272 54 T HA 0.288 4.636 4.350 -0.002 0.000 0.250 54 T C 1.286 175.979 174.700 -0.012 0.000 1.082 54 T CA 0.042 62.142 62.100 0.000 0.000 0.968 54 T CB 0.341 69.214 68.868 0.007 0.000 1.015 54 T HN 0.568 nan 8.240 nan 0.000 0.563 55 G N 1.622 110.409 108.800 -0.022 0.000 2.180 55 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.263 55 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.263 55 G C 0.248 175.127 174.900 -0.035 0.000 0.989 55 G CA 0.307 45.391 45.100 -0.027 0.000 0.692 55 G HN 0.585 nan 8.290 nan 0.000 0.526 56 K N 0.375 120.750 120.400 -0.042 0.000 2.120 56 K HA 0.383 4.702 4.320 -0.002 0.000 0.245 56 K C -2.148 174.414 176.600 -0.064 0.000 1.024 56 K CA -1.675 54.586 56.287 -0.043 0.000 0.906 56 K CB -0.018 32.462 32.500 -0.034 0.000 1.051 56 K HN 0.047 nan 8.250 nan 0.000 0.491 57 P HA 0.132 nan 4.420 nan 0.000 0.271 57 P C -0.482 176.765 177.300 -0.088 0.000 1.216 57 P CA -0.022 63.046 63.100 -0.054 0.000 0.776 57 P CB 0.385 32.071 31.700 -0.024 0.000 0.881 58 L N 5.405 126.556 121.223 -0.120 0.000 2.360 58 L HA 0.301 4.640 4.340 -0.002 0.000 0.276 58 L C -1.535 175.306 176.870 -0.050 0.000 1.121 58 L CA -1.818 52.887 54.840 -0.225 0.000 0.845 58 L CB -0.070 41.813 42.059 -0.293 0.000 1.143 58 L HN 0.287 nan 8.230 nan 0.000 0.452 59 P HA 0.055 nan 4.420 nan 0.000 0.274 59 P C -0.842 176.566 177.300 0.180 0.000 1.231 59 P CA -0.307 62.855 63.100 0.102 0.000 0.790 59 P CB 0.467 32.225 31.700 0.098 0.000 0.951 60 H N 1.620 120.739 119.070 0.081 0.000 2.848 60 H HA 0.380 4.935 4.556 -0.002 0.000 0.317 60 H C -0.492 174.869 175.328 0.054 0.000 1.046 60 H CA 0.240 56.335 56.048 0.078 0.000 1.470 60 H CB -0.220 29.590 29.762 0.081 0.000 1.483 60 H HN 0.221 nan 8.280 nan 0.000 0.548 61 I N 4.609 124.868 120.570 -0.518 0.000 2.468 61 I HA 0.113 4.281 4.170 -0.002 0.000 0.285 61 I C -0.134 175.623 176.117 -0.600 0.000 1.039 61 I CA -0.700 60.346 61.300 -0.423 0.000 1.074 61 I CB 1.794 39.601 38.000 -0.322 0.000 1.228 61 I HN 0.570 nan 8.210 nan 0.000 0.436 62 S N 5.614 121.080 115.700 -0.389 0.000 2.537 62 S HA 0.180 4.649 4.470 -0.002 0.000 0.286 62 S C 0.347 174.874 174.600 -0.122 0.000 1.299 62 S CA -0.420 57.704 58.200 -0.126 0.000 1.067 62 S CB 0.157 63.468 63.200 0.184 0.000 0.864 62 S HN 0.347 nan 8.310 nan 0.000 0.494 63 R N 2.995 123.420 120.500 -0.125 0.000 2.401 63 R HA 0.211 4.550 4.340 -0.002 0.000 0.299 63 R C -0.290 175.990 176.300 -0.033 0.000 1.064 63 R CA 0.280 56.322 56.100 -0.095 0.000 1.000 63 R CB 0.143 30.376 30.300 -0.111 0.000 0.973 63 R HN 0.496 nan 8.270 nan 0.000 0.438 64 M N 1.782 121.377 119.600 -0.008 0.000 2.456 64 M HA 0.314 4.793 4.480 -0.002 0.000 0.324 64 M C 0.385 176.707 176.300 0.036 0.000 1.124 64 M CA -0.767 54.553 55.300 0.034 0.000 0.959 64 M CB 1.829 34.468 32.600 0.065 0.000 1.692 64 M HN 0.553 nan 8.290 nan 0.000 0.444 65 T N -0.288 114.286 114.554 0.033 0.000 2.930 65 T HA 0.838 5.187 4.350 -0.002 0.000 0.290 65 T C -0.869 173.871 174.700 0.067 0.000 1.052 65 T CA -0.674 61.420 62.100 -0.009 0.000 1.017 65 T CB 1.872 70.681 68.868 -0.098 0.000 1.137 65 T HN 0.579 nan 8.240 nan 0.000 0.511 66 Y N -0.467 119.849 120.300 0.027 0.000 2.509 66 Y HA 0.840 5.388 4.550 -0.002 0.000 0.341 66 Y C -1.323 174.581 175.900 0.005 0.000 1.038 66 Y CA -1.628 56.499 58.100 0.045 0.000 1.089 66 Y CB 1.243 39.735 38.460 0.054 0.000 1.241 66 Y HN 0.556 nan 8.280 nan 0.000 0.468 67 V N 2.496 122.540 119.914 0.216 0.000 2.709 67 V HA 0.415 4.534 4.120 -0.002 0.000 0.308 67 V C -1.244 175.146 176.094 0.493 0.000 1.062 67 V CA -1.362 61.068 62.300 0.218 0.000 0.901 67 V CB 1.491 33.542 31.823 0.380 0.000 1.003 67 V HN 0.885 nan 8.190 nan 0.000 0.425 68 Y N 4.150 124.716 120.300 0.443 0.000 2.352 68 Y HA 0.768 5.317 4.550 -0.002 0.000 0.339 68 Y C -0.320 175.798 175.900 0.364 0.000 0.992 68 Y CA -0.963 57.320 58.100 0.305 0.000 1.100 68 Y CB 1.910 40.689 38.460 0.532 0.000 1.192 68 Y HN 0.837 nan 8.280 nan 0.000 0.458 69 Y N 0.015 120.414 120.300 0.164 0.000 2.638 69 Y HA 0.630 5.179 4.550 -0.002 0.000 0.335 69 Y C -2.302 173.621 175.900 0.037 0.000 1.155 69 Y CA -2.257 55.883 58.100 0.068 0.000 1.046 69 Y CB 1.032 39.301 38.460 -0.318 0.000 1.303 69 Y HN 0.458 nan 8.280 nan 0.000 0.460 70 Y N 1.855 122.299 120.300 0.240 0.000 2.446 70 Y HA 0.702 5.250 4.550 -0.002 0.000 0.338 70 Y C -0.398 175.621 175.900 0.198 0.000 1.055 70 Y CA -1.065 57.163 58.100 0.213 0.000 1.101 70 Y CB 2.044 40.641 38.460 0.229 0.000 1.221 70 Y HN 0.555 nan 8.280 nan 0.000 0.460 71 I N 3.140 123.914 120.570 0.339 0.000 2.390 71 I HA 0.425 4.593 4.170 -0.002 0.000 0.283 71 I C 0.678 176.926 176.117 0.218 0.000 1.016 71 I CA -0.230 61.202 61.300 0.221 0.000 1.151 71 I CB 0.735 38.802 38.000 0.112 0.000 1.293 71 I HN 0.928 nan 8.210 nan 0.000 0.458 72 G N 5.673 114.561 108.800 0.146 0.000 2.591 72 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.298 72 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.298 72 G C 0.543 175.499 174.900 0.092 0.000 1.195 72 G CA 0.290 45.441 45.100 0.085 0.000 0.989 72 G HN 0.543 nan 8.290 nan 0.000 0.551 73 L N 1.566 122.842 121.223 0.087 0.000 2.591 73 L HA 0.264 4.603 4.340 -0.002 0.000 0.228 73 L C 0.145 177.167 176.870 0.253 0.000 1.133 73 L CA -0.000 54.892 54.840 0.088 0.000 0.880 73 L CB -0.195 41.878 42.059 0.024 0.000 1.033 73 L HN 0.251 nan 8.230 nan 0.000 0.450 74 D N 0.605 121.177 120.400 0.287 0.000 2.249 74 D HA 0.192 4.831 4.640 -0.002 0.000 0.246 74 D C -0.710 175.698 176.300 0.181 0.000 1.114 74 D CA -0.099 54.017 54.000 0.193 0.000 0.854 74 D CB 1.690 42.590 40.800 0.167 0.000 1.132 74 D HN -0.092 nan 8.370 nan 0.000 0.461 75 F N 2.492 122.243 119.950 -0.331 0.000 2.385 75 F HA 0.353 4.878 4.527 -0.002 0.000 0.336 75 F C -0.888 174.404 175.800 -0.847 0.000 1.100 75 F CA -0.551 56.959 58.000 -0.818 0.000 1.116 75 F CB 0.709 39.215 39.000 -0.824 0.000 1.166 75 F HN 0.230 nan 8.300 nan 0.000 0.511 76 Y N 4.264 123.727 120.300 -1.394 0.000 2.462 76 Y HA 0.385 4.934 4.550 -0.002 0.000 0.346 76 Y C -0.722 174.526 175.900 -1.087 0.000 0.976 76 Y CA -1.003 56.406 58.100 -1.151 0.000 1.044 76 Y CB 2.029 39.596 38.460 -1.490 0.000 1.230 76 Y HN 0.421 nan 8.280 nan 0.000 0.455 77 K N 2.356 122.515 120.400 -0.402 0.000 2.463 77 K HA 0.882 5.200 4.320 -0.002 0.000 0.255 77 K C -1.660 175.055 176.600 0.192 0.000 0.942 77 K CA -0.519 55.770 56.287 0.003 0.000 0.814 77 K CB 1.215 33.752 32.500 0.061 0.000 1.122 77 K HN 0.774 nan 8.250 nan 0.000 0.425 78 A N 4.454 127.474 122.820 0.333 0.000 2.380 78 A HA 0.630 4.949 4.320 -0.002 0.000 0.315 78 A C -1.572 176.174 177.584 0.270 0.000 1.101 78 A CA -0.927 51.288 52.037 0.297 0.000 0.771 78 A CB 1.306 20.507 19.000 0.334 0.000 1.287 78 A HN 0.727 nan 8.150 nan 0.000 0.436 79 L N 2.347 123.696 121.223 0.209 0.000 2.333 79 L HA 0.703 5.042 4.340 -0.002 0.000 0.280 79 L C -1.581 175.378 176.870 0.147 0.000 1.004 79 L CA -0.627 54.325 54.840 0.186 0.000 0.820 79 L CB 1.602 43.757 42.059 0.161 0.000 1.247 79 L HN 0.502 nan 8.230 nan 0.000 0.416 80 V N 4.124 124.112 119.914 0.124 0.000 2.656 80 V HA 0.362 4.481 4.120 -0.002 0.000 0.307 80 V C -0.205 175.938 176.094 0.081 0.000 1.051 80 V CA -0.881 61.477 62.300 0.096 0.000 0.893 80 V CB 2.048 33.909 31.823 0.063 0.000 0.999 80 V HN 0.709 nan 8.190 nan 0.000 0.426 81 N N 3.314 122.072 118.700 0.097 0.000 2.437 81 N HA 0.150 4.889 4.740 -0.002 0.000 0.243 81 N C 0.636 176.162 175.510 0.026 0.000 1.041 81 N CA -0.165 52.940 53.050 0.092 0.000 0.940 81 N CB 1.886 40.478 38.487 0.174 0.000 1.133 81 N HN 0.596 nan 8.380 nan 0.000 0.506 82 V N 1.353 121.256 119.914 -0.018 0.000 3.406 82 V HA 0.067 4.186 4.120 -0.002 0.000 0.263 82 V C 1.745 177.757 176.094 -0.136 0.000 1.172 82 V CA 0.639 62.895 62.300 -0.073 0.000 1.140 82 V CB -0.338 31.439 31.823 -0.076 0.000 0.784 82 V HN 0.414 nan 8.190 nan 0.000 0.467 83 S N -0.009 115.600 115.700 -0.152 0.000 2.383 83 S HA -0.021 4.447 4.470 -0.002 0.000 0.227 83 S C 1.477 175.665 174.600 -0.687 0.000 1.026 83 S CA 2.001 59.980 58.200 -0.368 0.000 0.981 83 S CB -0.386 62.643 63.200 -0.285 0.000 0.818 83 S HN 0.814 nan 8.310 nan 0.000 0.472 84 Y N -0.118 120.136 120.300 -0.077 0.000 2.500 84 Y HA 0.368 4.917 4.550 -0.002 0.000 0.246 84 Y C 1.419 177.013 175.900 -0.508 0.000 1.146 84 Y CA -0.094 57.887 58.100 -0.199 0.000 1.230 84 Y CB 0.611 39.019 38.460 -0.087 0.000 1.214 84 Y HN 0.259 nan 8.280 nan 0.000 0.526 85 G N 1.348 109.986 108.800 -0.270 0.000 2.272 85 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.280 85 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.280 85 G C -0.582 174.146 174.900 -0.286 0.000 1.067 85 G CA 0.055 45.005 45.100 -0.249 0.000 0.902 85 G HN 0.440 nan 8.290 nan 0.000 0.500 86 H N -1.122 117.995 119.070 0.078 0.000 2.690 86 H HA 0.492 5.047 4.556 -0.002 0.000 0.368 86 H C 0.541 175.906 175.328 0.062 0.000 1.150 86 H CA -1.106 54.981 56.048 0.065 0.000 1.174 86 H CB 1.444 31.250 29.762 0.072 0.000 1.684 86 H HN 0.188 nan 8.280 nan 0.000 0.538 87 I N 2.934 123.617 120.570 0.188 0.000 2.496 87 I HA -0.078 4.091 4.170 -0.002 0.000 0.285 87 I C 1.154 177.351 176.117 0.134 0.000 1.080 87 I CA -0.072 61.310 61.300 0.136 0.000 1.404 87 I CB 0.742 38.806 38.000 0.107 0.000 1.403 87 I HN 0.473 nan 8.210 nan 0.000 0.539 88 I N 3.552 124.198 120.570 0.127 0.000 3.081 88 I HA 0.102 4.270 4.170 -0.002 0.000 0.274 88 I C 0.696 176.870 176.117 0.095 0.000 1.178 88 I CA 1.011 62.374 61.300 0.106 0.000 1.460 88 I CB -0.410 37.656 38.000 0.109 0.000 1.137 88 I HN 0.515 nan 8.210 nan 0.000 0.443 89 T N 1.251 115.873 114.554 0.113 0.000 2.982 89 T HA 0.295 4.644 4.350 -0.002 0.000 0.321 89 T C -0.413 174.375 174.700 0.146 0.000 1.229 89 T CA -0.622 61.546 62.100 0.113 0.000 1.044 89 T CB 2.386 71.320 68.868 0.109 0.000 1.184 89 T HN 0.152 nan 8.240 nan 0.000 0.477 90 N N 2.146 120.939 118.700 0.155 0.000 2.839 90 N HA 0.225 4.964 4.740 -0.002 0.000 0.230 90 N C -1.439 174.216 175.510 0.242 0.000 1.388 90 N CA -0.229 52.956 53.050 0.225 0.000 0.747 90 N CB 0.744 39.354 38.487 0.205 0.000 1.411 90 N HN 0.393 nan 8.380 nan 0.000 0.556 91 Q N 2.442 122.344 119.800 0.170 0.000 2.333 91 Q HA 0.290 4.629 4.340 -0.002 0.000 0.265 91 Q C -0.935 174.940 176.000 -0.208 0.000 0.989 91 Q CA -0.557 55.271 55.803 0.043 0.000 0.842 91 Q CB 1.217 29.959 28.738 0.007 0.000 1.262 91 Q HN 0.321 nan 8.270 nan 0.000 0.451 92 K N 3.041 123.176 120.400 -0.443 0.000 2.451 92 K HA 0.037 4.356 4.320 -0.002 0.000 0.280 92 K C -0.383 175.906 176.600 -0.518 0.000 1.020 92 K CA -0.037 55.664 56.287 -0.976 0.000 1.008 92 K CB 0.554 32.618 32.500 -0.725 0.000 0.917 92 K HN 0.608 nan 8.250 nan 0.000 0.478 93 Q N 3.218 122.702 119.800 -0.527 0.000 2.256 93 Q HA 0.331 4.670 4.340 -0.002 0.000 0.232 93 Q C -2.095 173.782 176.000 -0.206 0.000 0.965 93 Q CA -1.932 53.685 55.803 -0.310 0.000 0.908 93 Q CB 0.515 29.059 28.738 -0.324 0.000 1.209 93 Q HN 0.563 nan 8.270 nan 0.000 0.489 94 P HA 0.107 nan 4.420 nan 0.000 0.272 94 P C -0.777 176.468 177.300 -0.092 0.000 1.240 94 P CA -0.401 62.641 63.100 -0.096 0.000 0.791 94 P CB 0.470 32.133 31.700 -0.062 0.000 0.978 95 K N 0.917 121.274 120.400 -0.072 0.000 2.504 95 K HA 0.256 4.575 4.320 -0.002 0.000 0.278 95 K C 1.348 177.909 176.600 -0.064 0.000 1.025 95 K CA 1.894 58.145 56.287 -0.061 0.000 1.093 95 K CB -0.880 31.593 32.500 -0.045 0.000 0.873 95 K HN 0.766 nan 8.250 nan 0.000 0.483 96 G N 1.121 109.876 108.800 -0.075 0.000 2.194 96 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.236 96 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.236 96 G C -0.168 174.660 174.900 -0.120 0.000 0.987 96 G CA -0.092 44.957 45.100 -0.085 0.000 0.635 96 G HN 0.454 nan 8.290 nan 0.000 0.520 97 V N 1.892 121.718 119.914 -0.147 0.000 2.432 97 V HA 0.653 4.772 4.120 -0.002 0.000 0.271 97 V C 0.513 176.372 176.094 -0.391 0.000 1.046 97 V CA -0.021 62.136 62.300 -0.238 0.000 0.945 97 V CB 1.310 32.991 31.823 -0.237 0.000 0.992 97 V HN 0.322 nan 8.190 nan 0.000 0.471 98 I N 3.452 123.707 120.570 -0.525 0.000 2.582 98 I HA 0.614 4.782 4.170 -0.002 0.000 0.292 98 I C 0.795 176.423 176.117 -0.815 0.000 1.066 98 I CA -0.344 60.590 61.300 -0.609 0.000 1.053 98 I CB 2.183 40.016 38.000 -0.278 0.000 1.241 98 I HN 0.695 nan 8.210 nan 0.000 0.421 99 G N 4.862 113.009 108.800 -1.088 0.000 2.588 99 G HA2 0.526 4.485 3.960 -0.002 0.000 0.281 99 G HA3 0.526 4.485 3.960 -0.002 0.000 0.281 99 G C -2.678 172.155 174.900 -0.113 0.000 1.236 99 G CA -1.175 43.487 45.100 -0.730 0.000 0.969 99 G HN 0.287 nan 8.290 nan 0.000 0.504 100 P HA 0.105 nan 4.420 nan 0.000 0.269 100 P C -0.274 177.114 177.300 0.147 0.000 1.217 100 P CA -0.495 62.700 63.100 0.158 0.000 0.783 100 P CB 0.601 32.462 31.700 0.267 0.000 0.898 101 L N 1.839 123.128 121.223 0.111 0.000 2.452 101 L HA 0.299 4.638 4.340 -0.002 0.000 0.267 101 L C 0.726 177.674 176.870 0.130 0.000 1.188 101 L CA 0.024 54.925 54.840 0.102 0.000 0.821 101 L CB -0.510 41.589 42.059 0.066 0.000 1.102 101 L HN 0.359 nan 8.230 nan 0.000 0.470 102 I N 0.292 120.938 120.570 0.127 0.000 2.686 102 I HA 0.426 4.594 4.170 -0.002 0.000 0.295 102 I C 0.918 177.089 176.117 0.091 0.000 1.114 102 I CA -0.501 60.873 61.300 0.122 0.000 1.038 102 I CB 2.104 40.191 38.000 0.146 0.000 1.238 102 I HN 0.679 nan 8.210 nan 0.000 0.420 103 A N 4.563 127.428 122.820 0.074 0.000 1.892 103 A HA -0.198 4.120 4.320 -0.002 0.000 0.218 103 A C 1.686 179.303 177.584 0.055 0.000 1.188 103 A CA 2.143 54.214 52.037 0.058 0.000 0.631 103 A CB -0.569 18.460 19.000 0.048 0.000 0.822 103 A HN 0.874 nan 8.150 nan 0.000 0.447 104 E N 0.351 120.587 120.200 0.059 0.000 2.085 104 E HA -0.154 4.195 4.350 -0.002 0.000 0.194 104 E C 1.575 178.219 176.600 0.072 0.000 0.994 104 E CA 1.470 57.906 56.400 0.059 0.000 0.801 104 E CB -0.252 29.482 29.700 0.056 0.000 0.743 104 E HN 0.599 nan 8.360 nan 0.000 0.453 105 D N -0.275 120.183 120.400 0.097 0.000 2.149 105 D HA -0.079 4.559 4.640 -0.002 0.000 0.201 105 D C 1.797 178.126 176.300 0.050 0.000 0.972 105 D CA 0.514 54.573 54.000 0.099 0.000 0.835 105 D CB -0.060 40.827 40.800 0.146 0.000 0.966 105 D HN 0.086 nan 8.370 nan 0.000 0.476 106 I N 1.245 121.845 120.570 0.051 0.000 2.163 106 I HA -0.248 3.921 4.170 -0.002 0.000 0.243 106 I C 2.306 178.435 176.117 0.021 0.000 1.085 106 I CA 1.221 62.544 61.300 0.038 0.000 1.347 106 I CB -1.145 36.884 38.000 0.048 0.000 1.044 106 I HN 0.114 nan 8.210 nan 0.000 0.408 107 Q N 0.211 120.025 119.800 0.024 0.000 2.077 107 Q HA -0.283 4.055 4.340 -0.002 0.000 0.206 107 Q C 2.197 178.192 176.000 -0.009 0.000 0.989 107 Q CA 2.119 57.929 55.803 0.011 0.000 0.853 107 Q CB -0.195 28.554 28.738 0.018 0.000 0.907 107 Q HN 0.450 nan 8.270 nan 0.000 0.418 108 E N 0.213 120.408 120.200 -0.008 0.000 2.049 108 E HA -0.206 4.142 4.350 -0.002 0.000 0.198 108 E C 1.783 178.327 176.600 -0.094 0.000 1.007 108 E CA 1.306 57.687 56.400 -0.033 0.000 0.809 108 E CB -0.010 29.683 29.700 -0.011 0.000 0.749 108 E HN 0.235 nan 8.360 nan 0.000 0.450 109 I N 0.958 121.464 120.570 -0.107 0.000 2.226 109 I HA -0.209 3.960 4.170 -0.002 0.000 0.245 109 I C 2.418 178.420 176.117 -0.192 0.000 1.100 109 I CA 1.423 62.593 61.300 -0.216 0.000 1.374 109 I CB -1.285 36.629 38.000 -0.143 0.000 1.057 109 I HN 0.330 nan 8.210 nan 0.000 0.413 110 E N 1.271 121.425 120.200 -0.077 0.000 2.058 110 E HA -0.271 4.077 4.350 -0.002 0.000 0.194 110 E C 1.991 178.557 176.600 -0.056 0.000 0.997 110 E CA 1.672 58.049 56.400 -0.039 0.000 0.801 110 E CB 0.100 29.800 29.700 0.000 0.000 0.746 110 E HN 0.437 nan 8.360 nan 0.000 0.450 111 E N 0.245 120.409 120.200 -0.060 0.000 2.058 111 E HA -0.210 4.139 4.350 -0.002 0.000 0.194 111 E C 1.969 178.530 176.600 -0.065 0.000 0.997 111 E CA 1.202 57.572 56.400 -0.049 0.000 0.801 111 E CB -0.209 29.468 29.700 -0.039 0.000 0.746 111 E HN 0.197 nan 8.360 nan 0.000 0.450 112 L N 0.552 121.689 121.223 -0.143 0.000 2.046 112 L HA -0.113 4.226 4.340 -0.002 0.000 0.208 112 L C 2.068 178.852 176.870 -0.143 0.000 1.077 112 L CA 2.076 56.799 54.840 -0.195 0.000 0.747 112 L CB -0.901 40.891 42.059 -0.445 0.000 0.896 112 L HN 0.134 nan 8.230 nan 0.000 0.432 113 A N -1.788 120.915 122.820 -0.194 0.000 2.131 113 A HA -0.186 4.133 4.320 -0.002 0.000 0.220 113 A C 2.055 179.738 177.584 0.165 0.000 1.158 113 A CA 2.066 54.152 52.037 0.082 0.000 0.665 113 A CB -0.993 18.060 19.000 0.089 0.000 0.795 113 A HN 0.619 nan 8.150 nan 0.000 0.460 114 T N -6.419 108.190 114.554 0.092 0.000 3.010 114 T HA 0.152 4.500 4.350 -0.002 0.000 0.257 114 T C 1.309 176.067 174.700 0.097 0.000 1.020 114 T CA 0.968 63.131 62.100 0.105 0.000 0.938 114 T CB 0.354 69.257 68.868 0.057 0.000 1.049 114 T HN 0.129 nan 8.240 nan 0.000 0.522 115 T N 0.639 115.250 114.554 0.095 0.000 3.023 115 T HA 0.186 4.535 4.350 -0.002 0.000 0.249 115 T C 0.392 175.160 174.700 0.114 0.000 1.050 115 T CA -0.139 62.005 62.100 0.073 0.000 1.088 115 T CB -0.218 68.671 68.868 0.034 0.000 0.946 115 T HN 0.674 nan 8.240 nan 0.000 0.480 116 H N 2.686 121.819 119.070 0.105 0.000 2.815 116 H HA 0.099 4.654 4.556 -0.002 0.000 0.350 116 H C -1.454 173.913 175.328 0.064 0.000 1.080 116 H CA -1.368 54.761 56.048 0.135 0.000 1.433 116 H CB 1.228 31.191 29.762 0.335 0.000 1.432 116 H HN -0.089 nan 8.280 nan 0.000 0.592 117 P HA -0.175 nan 4.420 nan 0.000 0.218 117 P C 1.315 178.632 177.300 0.028 0.000 1.149 117 P CA 1.351 64.401 63.100 -0.084 0.000 0.817 117 P CB 0.243 31.830 31.700 -0.189 0.000 0.785 118 I N -1.018 119.667 120.570 0.191 0.000 2.394 118 I HA -0.151 4.018 4.170 -0.002 0.000 0.251 118 I C 2.347 178.457 176.117 -0.012 0.000 1.136 118 I CA 1.052 62.326 61.300 -0.042 0.000 1.425 118 I CB -0.450 37.301 38.000 -0.416 0.000 1.079 118 I HN -0.174 nan 8.210 nan 0.000 0.425 119 V N 0.529 120.530 119.914 0.144 0.000 2.379 119 V HA -0.148 3.971 4.120 -0.002 0.000 0.243 119 V C 2.405 178.535 176.094 0.060 0.000 1.035 119 V CA 1.270 63.645 62.300 0.126 0.000 1.035 119 V CB -0.618 31.385 31.823 0.300 0.000 0.673 119 V HN 0.300 nan 8.190 nan 0.000 0.457 120 K N 0.877 121.327 120.400 0.083 0.000 2.089 120 K HA -0.228 4.091 4.320 -0.002 0.000 0.210 120 K C 2.255 178.854 176.600 -0.001 0.000 1.048 120 K CA 1.794 58.106 56.287 0.042 0.000 0.926 120 K CB -0.573 31.945 32.500 0.030 0.000 0.714 120 K HN 0.487 nan 8.250 nan 0.000 0.448 121 A N 1.192 123.995 122.820 -0.028 0.000 1.969 121 A HA -0.174 4.145 4.320 -0.002 0.000 0.218 121 A C 2.076 179.604 177.584 -0.093 0.000 1.169 121 A CA 1.532 53.539 52.037 -0.051 0.000 0.635 121 A CB -0.279 18.686 19.000 -0.059 0.000 0.810 121 A HN 0.241 nan 8.150 nan 0.000 0.445 122 E N 0.161 120.252 120.200 -0.180 0.000 2.072 122 E HA -0.083 4.266 4.350 -0.002 0.000 0.191 122 E C 1.734 178.159 176.600 -0.292 0.000 0.985 122 E CA 1.034 57.207 56.400 -0.379 0.000 0.801 122 E CB -0.302 28.878 29.700 -0.867 0.000 0.750 122 E HN 0.650 nan 8.360 nan 0.000 0.452 123 I N 0.722 121.219 120.570 -0.122 0.000 2.179 123 I HA -0.234 3.935 4.170 -0.002 0.000 0.242 123 I C 2.464 178.629 176.117 0.081 0.000 1.088 123 I CA 1.193 62.547 61.300 0.091 0.000 1.357 123 I CB -0.329 37.753 38.000 0.136 0.000 1.051 123 I HN 0.191 nan 8.210 nan 0.000 0.409 124 E N 1.915 122.137 120.200 0.036 0.000 2.147 124 E HA -0.273 4.076 4.350 -0.002 0.000 0.199 124 E C 1.948 178.582 176.600 0.057 0.000 1.005 124 E CA 1.655 58.080 56.400 0.041 0.000 0.810 124 E CB -0.071 29.638 29.700 0.016 0.000 0.736 124 E HN 0.469 nan 8.360 nan 0.000 0.460 125 K N 0.041 120.468 120.400 0.044 0.000 2.362 125 K HA -0.046 4.273 4.320 -0.002 0.000 0.200 125 K C 2.266 178.949 176.600 0.139 0.000 1.046 125 K CA 0.597 56.925 56.287 0.069 0.000 0.952 125 K CB -0.083 32.444 32.500 0.043 0.000 0.753 125 K HN 0.200 nan 8.250 nan 0.000 0.466 126 L N 0.776 122.115 121.223 0.192 0.000 2.275 126 L HA -0.078 4.261 4.340 -0.002 0.000 0.215 126 L C 0.161 177.190 176.870 0.266 0.000 1.119 126 L CA 0.441 55.459 54.840 0.296 0.000 0.790 126 L CB -0.324 41.931 42.059 0.328 0.000 0.919 126 L HN 0.091 nan 8.230 nan 0.000 0.443 127 K N 0.918 121.427 120.400 0.182 0.000 3.244 127 K HA -0.150 4.169 4.320 -0.002 0.000 0.270 127 K C -0.391 176.324 176.600 0.191 0.000 1.016 127 K CA 0.641 57.022 56.287 0.156 0.000 0.754 127 K CB -2.311 30.279 32.500 0.148 0.000 1.326 127 K HN 0.302 nan 8.250 nan 0.000 0.465 128 L N 1.666 122.985 121.223 0.160 0.000 2.456 128 L HA 0.166 4.505 4.340 -0.002 0.000 0.272 128 L C -0.751 176.121 176.870 0.004 0.000 1.189 128 L CA -1.470 53.432 54.840 0.104 0.000 0.846 128 L CB -0.106 41.961 42.059 0.013 0.000 1.111 128 L HN 0.067 nan 8.230 nan 0.000 0.475 129 P HA 0.200 nan 4.420 nan 0.000 0.274 129 P C -2.297 174.896 177.300 -0.178 0.000 1.256 129 P CA -1.497 61.532 63.100 -0.117 0.000 0.795 129 P CB -0.043 31.567 31.700 -0.150 0.000 1.038 130 P HA -0.083 nan 4.420 nan 0.000 0.230 130 P C 0.879 178.151 177.300 -0.047 0.000 1.158 130 P CA 1.272 64.349 63.100 -0.039 0.000 0.769 130 P CB -0.554 31.158 31.700 0.020 0.000 0.807 131 H N -3.019 115.999 119.070 -0.087 0.000 2.539 131 H HA 0.342 4.897 4.556 -0.002 0.000 0.267 131 H C -0.100 175.165 175.328 -0.105 0.000 0.982 131 H CA -0.306 55.696 56.048 -0.077 0.000 1.146 131 H CB -0.449 29.288 29.762 -0.042 0.000 1.382 131 H HN -0.169 nan 8.280 nan 0.000 0.577 132 V N 2.551 122.207 119.914 -0.430 0.000 2.540 132 V HA 0.403 4.522 4.120 -0.002 0.000 0.302 132 V C -0.085 175.901 176.094 -0.180 0.000 1.035 132 V CA -1.007 61.084 62.300 -0.348 0.000 0.873 132 V CB 1.645 33.048 31.823 -0.700 0.000 0.992 132 V HN 0.642 nan 8.190 nan 0.000 0.428 133 R N 3.149 123.587 120.500 -0.104 0.000 2.919 133 R HA 0.917 5.256 4.340 -0.002 0.000 0.260 133 R C -1.708 174.569 176.300 -0.040 0.000 1.067 133 R CA -0.804 55.255 56.100 -0.069 0.000 1.003 133 R CB 1.982 32.238 30.300 -0.074 0.000 1.192 133 R HN 0.322 nan 8.270 nan 0.000 0.488 134 V N 1.467 121.365 119.914 -0.026 0.000 2.483 134 V HA 0.493 4.612 4.120 -0.002 0.000 0.295 134 V C -0.342 175.728 176.094 -0.040 0.000 1.035 134 V CA -0.731 61.561 62.300 -0.012 0.000 0.896 134 V CB 1.488 33.329 31.823 0.029 0.000 0.986 134 V HN 0.616 nan 8.190 nan 0.000 0.447 135 V N 4.712 124.596 119.914 -0.049 0.000 2.823 135 V HA 0.733 4.852 4.120 -0.002 0.000 0.312 135 V C -0.761 175.310 176.094 -0.039 0.000 1.072 135 V CA -0.488 61.729 62.300 -0.139 0.000 0.937 135 V CB 1.839 33.410 31.823 -0.420 0.000 1.013 135 V HN 1.092 nan 8.190 nan 0.000 0.430 136 C N 4.610 123.886 119.300 -0.040 0.000 2.379 136 C HA 0.738 5.197 4.460 -0.002 0.000 0.323 136 C C -0.616 174.451 174.990 0.128 0.000 1.262 136 C CA -0.298 58.770 59.018 0.084 0.000 1.581 136 C CB 0.487 28.268 27.740 0.069 0.000 2.221 136 C HN 1.012 nan 8.230 nan 0.000 0.497 137 D N 6.988 127.587 120.400 0.331 0.000 2.443 137 D HA 0.378 5.017 4.640 -0.002 0.000 0.221 137 D C -2.428 174.161 176.300 0.482 0.000 1.097 137 D CA -1.004 53.258 54.000 0.436 0.000 0.865 137 D CB 1.301 42.520 40.800 0.699 0.000 1.034 137 D HN 0.420 nan 8.370 nan 0.000 0.511 138 P HA 0.140 nan 4.420 nan 0.000 0.276 138 P C -0.741 176.790 177.300 0.385 0.000 1.243 138 P CA -0.352 62.923 63.100 0.292 0.000 0.768 138 P CB 0.417 32.206 31.700 0.147 0.000 0.856 139 W N 4.275 125.674 121.300 0.165 0.000 2.627 139 W HA 0.412 5.070 4.660 -0.002 0.000 0.339 139 W C 0.462 177.039 176.519 0.097 0.000 1.058 139 W CA -0.727 56.720 57.345 0.169 0.000 1.223 139 W CB 0.836 30.466 29.460 0.283 0.000 1.389 139 W HN 0.279 nan 8.180 nan 0.000 0.541 140 M N 2.490 122.226 119.600 0.227 0.000 2.245 140 M HA -0.016 4.463 4.480 -0.002 0.000 0.312 140 M C 0.638 177.061 176.300 0.206 0.000 1.070 140 M CA 0.890 56.282 55.300 0.153 0.000 1.162 140 M CB 0.156 32.811 32.600 0.092 0.000 1.448 140 M HN 0.718 nan 8.290 nan 0.000 0.446 141 N N 0.953 119.711 118.700 0.096 0.000 2.354 141 N HA 0.009 4.748 4.740 -0.002 0.000 0.179 141 N C 0.999 176.535 175.510 0.043 0.000 1.021 141 N CA 1.126 54.203 53.050 0.045 0.000 0.887 141 N CB 0.142 38.612 38.487 -0.029 0.000 0.974 141 N HN 0.964 nan 8.380 nan 0.000 0.437 142 G N -0.392 108.449 108.800 0.068 0.000 2.645 142 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.246 142 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.246 142 G C -0.852 174.006 174.900 -0.070 0.000 1.322 142 G CA 0.141 45.268 45.100 0.046 0.000 0.898 142 G HN 0.347 nan 8.290 nan 0.000 0.573 143 T N 0.750 115.228 114.554 -0.128 0.000 3.071 143 T HA 0.562 4.911 4.350 -0.002 0.000 0.311 143 T C -0.355 174.099 174.700 -0.410 0.000 1.042 143 T CA 0.401 62.298 62.100 -0.338 0.000 1.028 143 T CB 1.737 70.302 68.868 -0.504 0.000 1.068 143 T HN 1.035 nan 8.240 nan 0.000 0.451 144 D N 0.066 120.255 120.400 -0.352 0.000 2.562 144 D HA 0.259 4.898 4.640 -0.002 0.000 0.246 144 D C 0.349 176.621 176.300 -0.047 0.000 1.347 144 D CA -0.401 53.532 54.000 -0.112 0.000 0.800 144 D CB 0.276 41.205 40.800 0.215 0.000 1.111 144 D HN 0.522 nan 8.370 nan 0.000 0.508 145 S N -1.559 113.971 115.700 -0.284 0.000 2.636 145 S HA 0.511 4.980 4.470 -0.002 0.000 0.266 145 S C -1.152 173.402 174.600 -0.078 0.000 1.147 145 S CA -1.183 57.007 58.200 -0.017 0.000 0.815 145 S CB 1.263 64.454 63.200 -0.015 0.000 1.119 145 S HN -0.095 nan 8.310 nan 0.000 0.470 146 K N 0.797 121.216 120.400 0.032 0.000 2.416 146 K HA 0.546 4.865 4.320 -0.002 0.000 0.283 146 K C -0.501 176.070 176.600 -0.049 0.000 1.037 146 K CA 0.389 56.674 56.287 -0.003 0.000 0.995 146 K CB 0.335 32.847 32.500 0.020 0.000 0.938 146 K HN 0.610 nan 8.250 nan 0.000 0.475 147 E N 2.430 122.585 120.200 -0.074 0.000 2.349 147 E HA 0.165 4.514 4.350 -0.002 0.000 0.290 147 E C -1.153 175.398 176.600 -0.082 0.000 0.901 147 E CA -0.255 56.097 56.400 -0.080 0.000 0.800 147 E CB 0.681 30.320 29.700 -0.102 0.000 1.303 147 E HN 0.439 nan 8.360 nan 0.000 0.397 148 D N 2.816 123.175 120.400 -0.069 0.000 2.367 148 D HA 0.114 4.753 4.640 -0.002 0.000 0.207 148 D C -0.045 176.211 176.300 -0.073 0.000 1.034 148 D CA 0.207 54.166 54.000 -0.069 0.000 0.861 148 D CB 0.326 41.095 40.800 -0.052 0.000 0.943 148 D HN 0.289 nan 8.370 nan 0.000 0.515 149 R N 0.628 121.083 120.500 -0.075 0.000 2.441 149 R HA 0.335 4.673 4.340 -0.002 0.000 0.284 149 R C 0.414 176.656 176.300 -0.096 0.000 1.070 149 R CA -0.338 55.713 56.100 -0.082 0.000 1.047 149 R CB 1.402 31.656 30.300 -0.077 0.000 1.016 149 R HN 0.024 nan 8.270 nan 0.000 0.477 150 M N 4.870 124.402 119.600 -0.113 0.000 2.193 150 M HA 0.193 4.672 4.480 -0.002 0.000 0.342 150 M C -1.337 174.909 176.300 -0.091 0.000 1.413 150 M CA 0.085 55.317 55.300 -0.114 0.000 1.191 150 M CB 0.202 32.711 32.600 -0.152 0.000 1.633 150 M HN 0.448 nan 8.290 nan 0.000 0.458 151 L N 5.454 126.633 121.223 -0.073 0.000 2.334 151 L HA 0.627 4.966 4.340 -0.002 0.000 0.272 151 L C -0.544 176.312 176.870 -0.024 0.000 1.020 151 L CA -1.092 53.710 54.840 -0.063 0.000 0.812 151 L CB 1.941 43.946 42.059 -0.090 0.000 1.264 151 L HN 0.570 nan 8.230 nan 0.000 0.439 152 I N 2.057 122.627 120.570 -0.000 0.000 2.418 152 I HA 0.262 4.431 4.170 -0.002 0.000 0.287 152 I C -0.273 175.858 176.117 0.024 0.000 1.008 152 I CA -0.510 60.820 61.300 0.051 0.000 1.104 152 I CB 1.641 39.691 38.000 0.082 0.000 1.264 152 I HN 0.616 nan 8.210 nan 0.000 0.438 153 Q N 4.988 124.807 119.800 0.031 0.000 2.331 153 Q HA 0.331 4.669 4.340 -0.002 0.000 0.257 153 Q C -1.220 174.724 176.000 -0.093 0.000 0.957 153 Q CA -0.088 55.648 55.803 -0.112 0.000 0.923 153 Q CB 1.080 29.723 28.738 -0.158 0.000 1.212 153 Q HN 0.687 nan 8.270 nan 0.000 0.443 154 C N 5.869 125.075 119.300 -0.156 0.000 2.223 154 C HA 0.367 4.826 4.460 -0.002 0.000 0.324 154 C C -0.694 174.176 174.990 -0.201 0.000 1.196 154 C CA -0.658 58.344 59.018 -0.025 0.000 1.628 154 C CB -1.174 26.616 27.740 0.083 0.000 2.229 154 C HN 0.770 nan 8.230 nan 0.000 0.486 155 Y N 4.016 124.328 120.300 0.020 0.000 2.377 155 Y HA 0.397 4.946 4.550 -0.002 0.000 0.330 155 Y C 0.720 176.518 175.900 -0.170 0.000 1.108 155 Y CA 0.046 58.068 58.100 -0.129 0.000 1.308 155 Y CB 0.509 38.902 38.460 -0.111 0.000 1.216 155 Y HN 0.430 nan 8.280 nan 0.000 0.518 156 M N 4.651 124.027 119.600 -0.373 0.000 2.364 156 M HA 0.418 4.897 4.480 -0.002 0.000 0.334 156 M C -1.275 174.619 176.300 -0.675 0.000 1.107 156 M CA -1.101 53.951 55.300 -0.414 0.000 0.988 156 M CB 1.163 33.386 32.600 -0.627 0.000 1.673 156 M HN 0.601 nan 8.290 nan 0.000 0.441 157 Y N 1.058 121.287 120.300 -0.119 0.000 2.615 157 Y HA 0.623 5.171 4.550 -0.002 0.000 0.341 157 Y C -0.693 175.157 175.900 -0.083 0.000 1.089 157 Y CA -1.184 56.874 58.100 -0.071 0.000 1.049 157 Y CB 1.481 39.993 38.460 0.087 0.000 1.296 157 Y HN 0.367 nan 8.280 nan 0.000 0.470 158 L N 1.737 123.042 121.223 0.137 0.000 2.334 158 L HA 0.857 5.196 4.340 -0.002 0.000 0.275 158 L C 0.032 177.073 176.870 0.286 0.000 1.036 158 L CA -0.673 54.270 54.840 0.172 0.000 0.807 158 L CB 1.029 43.198 42.059 0.184 0.000 1.231 158 L HN 0.850 nan 8.230 nan 0.000 0.438 159 A N 1.404 124.250 122.820 0.043 0.000 2.486 159 A HA 0.705 5.024 4.320 -0.002 0.000 0.289 159 A C -0.532 176.707 177.584 -0.575 0.000 1.176 159 A CA -0.483 51.346 52.037 -0.346 0.000 0.757 159 A CB 1.462 20.343 19.000 -0.199 0.000 1.337 159 A HN 0.559 nan 8.150 nan 0.000 0.423 160 S N -0.311 114.882 115.700 -0.845 0.000 2.528 160 S HA 0.420 4.889 4.470 -0.002 0.000 0.277 160 S C 1.215 175.695 174.600 -0.199 0.000 1.297 160 S CA 0.101 58.033 58.200 -0.447 0.000 1.052 160 S CB 0.846 63.835 63.200 -0.351 0.000 0.917 160 S HN 1.626 nan 8.310 nan 0.000 0.492 161 A N 4.525 127.287 122.820 -0.096 0.000 2.066 161 A HA 0.224 4.543 4.320 -0.002 0.000 0.218 161 A C 2.111 179.666 177.584 -0.047 0.000 1.157 161 A CA 1.295 53.291 52.037 -0.069 0.000 0.670 161 A CB -0.804 18.169 19.000 -0.045 0.000 0.804 161 A HN 1.117 nan 8.150 nan 0.000 0.453 162 A N -1.953 120.854 122.820 -0.022 0.000 2.119 162 A HA 0.107 4.426 4.320 -0.002 0.000 0.216 162 A C 0.909 178.492 177.584 -0.002 0.000 1.152 162 A CA 0.699 52.733 52.037 -0.005 0.000 0.708 162 A CB -0.190 18.824 19.000 0.023 0.000 0.805 162 A HN 0.559 nan 8.150 nan 0.000 0.460 163 H N -1.126 117.869 119.070 -0.125 0.000 2.856 163 H HA 0.285 4.840 4.556 -0.002 0.000 0.355 163 H C -2.590 172.639 175.328 -0.165 0.000 1.079 163 H CA -1.406 54.552 56.048 -0.150 0.000 1.240 163 H CB 2.331 31.987 29.762 -0.177 0.000 1.701 163 H HN -0.028 nan 8.280 nan 0.000 0.527 164 P HA -0.010 nan 4.420 nan 0.000 0.234 164 P C 0.326 177.643 177.300 0.027 0.000 1.167 164 P CA 0.703 63.763 63.100 -0.067 0.000 0.763 164 P CB 0.619 32.241 31.700 -0.131 0.000 0.835 165 E N -0.657 119.642 120.200 0.165 0.000 2.548 165 E HA 0.101 4.449 4.350 -0.002 0.000 0.206 165 E C 0.458 176.951 176.600 -0.179 0.000 1.005 165 E CA -0.185 56.217 56.400 0.002 0.000 0.951 165 E CB 0.095 29.705 29.700 -0.150 0.000 1.035 165 E HN 0.074 nan 8.360 nan 0.000 0.470 166 S N 1.403 117.013 115.700 -0.150 0.000 2.563 166 S HA -0.012 4.457 4.470 -0.002 0.000 0.284 166 S C 0.475 174.965 174.600 -0.183 0.000 1.331 166 S CA -0.273 57.771 58.200 -0.261 0.000 1.047 166 S CB 0.208 63.230 63.200 -0.296 0.000 0.859 166 S HN 0.261 nan 8.310 nan 0.000 0.514 167 N N 2.927 121.514 118.700 -0.189 0.000 2.868 167 N HA 0.046 4.785 4.740 -0.002 0.000 0.252 167 N C 1.545 177.067 175.510 0.020 0.000 1.130 167 N CA -0.590 52.456 53.050 -0.008 0.000 1.026 167 N CB 0.059 38.576 38.487 0.050 0.000 1.335 167 N HN 0.862 nan 8.380 nan 0.000 0.516 168 H N 2.238 121.233 119.070 -0.125 0.000 2.457 168 H HA -0.193 4.362 4.556 -0.002 0.000 0.297 168 H C 0.320 175.539 175.328 -0.181 0.000 1.092 168 H CA 1.294 57.237 56.048 -0.175 0.000 1.309 168 H CB -0.390 29.187 29.762 -0.309 0.000 1.382 168 H HN 0.599 nan 8.280 nan 0.000 0.535 169 Y N 2.492 122.513 120.300 -0.465 0.000 2.483 169 Y HA -0.151 4.398 4.550 -0.002 0.000 0.291 169 Y C 2.938 179.014 175.900 0.294 0.000 1.143 169 Y CA 1.183 59.127 58.100 -0.260 0.000 1.289 169 Y CB -0.161 38.195 38.460 -0.174 0.000 0.983 169 Y HN 0.419 nan 8.280 nan 0.000 0.556 170 S N -0.931 115.092 115.700 0.538 0.000 2.561 170 S HA 0.045 4.514 4.470 -0.002 0.000 0.225 170 S C 0.451 175.325 174.600 0.457 0.000 0.977 170 S CA 0.197 58.787 58.200 0.651 0.000 0.926 170 S CB -0.026 63.552 63.200 0.631 0.000 0.769 170 S HN 0.216 nan 8.310 nan 0.000 0.533 171 L N 2.011 123.499 121.223 0.442 0.000 2.489 171 L HA 0.582 4.921 4.340 -0.002 0.000 0.257 171 L C -3.146 173.877 176.870 0.254 0.000 1.215 171 L CA -2.163 52.875 54.840 0.331 0.000 0.915 171 L CB 1.631 43.878 42.059 0.312 0.000 1.146 171 L HN -0.140 nan 8.230 nan 0.000 0.494 172 P HA 0.321 nan 4.420 nan 0.000 0.279 172 P C -0.330 176.879 177.300 -0.152 0.000 1.239 172 P CA -0.164 62.951 63.100 0.024 0.000 0.789 172 P CB 1.019 32.755 31.700 0.059 0.000 0.933 173 L N 2.725 123.718 121.223 -0.383 0.000 2.469 173 L HA 0.323 4.661 4.340 -0.002 0.000 0.253 173 L C 1.427 178.218 176.870 -0.132 0.000 1.143 173 L CA -0.288 54.306 54.840 -0.411 0.000 0.804 173 L CB 0.455 42.095 42.059 -0.698 0.000 1.214 173 L HN 0.320 nan 8.230 nan 0.000 0.476 174 K N 0.751 121.199 120.400 0.081 0.000 2.455 174 K HA 0.227 4.545 4.320 -0.002 0.000 0.206 174 K C -0.960 175.736 176.600 0.159 0.000 1.027 174 K CA -0.094 56.303 56.287 0.184 0.000 1.113 174 K CB 0.279 32.973 32.500 0.324 0.000 0.850 174 K HN 0.342 nan 8.250 nan 0.000 0.503 175 F N -2.070 117.862 119.950 -0.030 0.000 2.593 175 F HA 0.676 5.202 4.527 -0.002 0.000 0.320 175 F C -0.538 175.102 175.800 -0.268 0.000 1.060 175 F CA -1.326 56.530 58.000 -0.239 0.000 0.940 175 F CB 1.780 40.613 39.000 -0.278 0.000 1.268 175 F HN -0.292 nan 8.300 nan 0.000 0.475 176 S N 2.848 118.431 115.700 -0.195 0.000 2.720 176 S HA 0.571 5.040 4.470 -0.002 0.000 0.278 176 S C -3.260 171.201 174.600 -0.232 0.000 1.172 176 S CA -1.171 56.862 58.200 -0.278 0.000 1.019 176 S CB 1.685 64.586 63.200 -0.500 0.000 1.049 176 S HN 0.588 nan 8.310 nan 0.000 0.483 177 P HA 0.406 nan 4.420 nan 0.000 0.282 177 P C -1.009 176.031 177.300 -0.434 0.000 1.249 177 P CA -0.540 62.382 63.100 -0.296 0.000 0.806 177 P CB 1.216 32.883 31.700 -0.054 0.000 0.984 178 V N 3.603 123.059 119.914 -0.764 0.000 2.448 178 V HA 0.397 4.515 4.120 -0.002 0.000 0.295 178 V C -0.169 175.424 176.094 -0.835 0.000 1.025 178 V CA -0.295 61.661 62.300 -0.573 0.000 0.859 178 V CB 0.679 32.225 31.823 -0.461 0.000 0.988 178 V HN 0.383 nan 8.190 nan 0.000 0.431 179 F N 1.828 121.580 119.950 -0.330 0.000 2.507 179 F HA 0.475 5.001 4.527 -0.002 0.000 0.327 179 F C 0.495 176.190 175.800 -0.176 0.000 1.068 179 F CA -0.750 57.099 58.000 -0.252 0.000 0.965 179 F CB 1.633 40.542 39.000 -0.151 0.000 1.192 179 F HN 0.499 nan 8.300 nan 0.000 0.476 180 E N 1.422 121.646 120.200 0.039 0.000 2.223 180 E HA 0.116 4.465 4.350 -0.002 0.000 0.282 180 E C 0.642 177.247 176.600 0.008 0.000 1.046 180 E CA -0.373 56.020 56.400 -0.011 0.000 0.857 180 E CB 1.164 30.843 29.700 -0.035 0.000 1.055 180 E HN 0.915 nan 8.360 nan 0.000 0.409 181 C N 5.156 124.432 119.300 -0.039 0.000 2.432 181 C HA -0.099 4.360 4.460 -0.002 0.000 0.277 181 C C 2.071 176.998 174.990 -0.105 0.000 1.249 181 C CA 0.700 59.686 59.018 -0.054 0.000 1.725 181 C CB -0.919 26.778 27.740 -0.073 0.000 2.028 181 C HN 0.895 nan 8.230 nan 0.000 0.477 182 L N 0.605 121.719 121.223 -0.182 0.000 2.162 182 L HA -0.000 4.338 4.340 -0.002 0.000 0.205 182 L C 2.778 179.545 176.870 -0.171 0.000 1.086 182 L CA 1.888 56.566 54.840 -0.270 0.000 0.778 182 L CB -0.646 41.162 42.059 -0.418 0.000 0.928 182 L HN 0.542 nan 8.230 nan 0.000 0.446 183 T N -4.489 110.005 114.554 -0.101 0.000 3.081 183 T HA 0.038 4.386 4.350 -0.002 0.000 0.255 183 T C 0.962 175.666 174.700 0.007 0.000 1.113 183 T CA -0.022 62.051 62.100 -0.044 0.000 1.082 183 T CB 0.037 68.893 68.868 -0.021 0.000 0.939 183 T HN 0.139 nan 8.240 nan 0.000 0.506 184 K N 0.380 120.794 120.400 0.023 0.000 3.160 184 K HA -0.121 4.198 4.320 -0.002 0.000 0.280 184 K C -0.388 176.350 176.600 0.230 0.000 1.154 184 K CA 0.577 56.915 56.287 0.084 0.000 0.822 184 K CB -1.039 31.480 32.500 0.031 0.000 1.239 184 K HN 0.357 nan 8.250 nan 0.000 0.489 185 K N 0.473 120.994 120.400 0.201 0.000 2.174 185 K HA 0.215 4.533 4.320 -0.002 0.000 0.275 185 K C 0.038 176.766 176.600 0.213 0.000 1.015 185 K CA -0.611 55.806 56.287 0.217 0.000 0.933 185 K CB 0.524 33.085 32.500 0.103 0.000 1.025 185 K HN 0.012 nan 8.250 nan 0.000 0.463 186 F N 2.430 122.364 119.950 -0.027 0.000 2.563 186 F HA -0.081 4.445 4.527 -0.002 0.000 0.363 186 F C 1.040 176.647 175.800 -0.321 0.000 1.123 186 F CA 0.295 58.016 58.000 -0.466 0.000 1.307 186 F CB 0.585 39.271 39.000 -0.523 0.000 1.115 186 F HN 0.223 nan 8.300 nan 0.000 0.592 187 V N 4.650 124.049 119.914 -0.859 0.000 2.854 187 V HA 0.241 4.360 4.120 -0.002 0.000 0.236 187 V C -0.078 175.742 176.094 -0.457 0.000 1.157 187 V CA 0.806 62.819 62.300 -0.478 0.000 1.187 187 V CB 0.154 31.730 31.823 -0.411 0.000 0.949 187 V HN 0.838 nan 8.190 nan 0.000 0.488 188 R N -0.477 119.502 120.500 -0.869 0.000 2.741 188 R HA 0.545 4.884 4.340 -0.002 0.000 0.276 188 R C -1.419 174.575 176.300 -0.510 0.000 1.028 188 R CA -0.773 55.101 56.100 -0.376 0.000 0.865 188 R CB 1.355 31.540 30.300 -0.192 0.000 1.268 188 R HN 0.100 nan 8.270 nan 0.000 0.475 189 M N 2.041 121.605 119.600 -0.059 0.000 2.149 189 M HA 0.411 4.890 4.480 -0.002 0.000 0.342 189 M C -1.516 174.634 176.300 -0.250 0.000 1.068 189 M CA -0.198 55.034 55.300 -0.113 0.000 0.991 189 M CB 1.434 34.048 32.600 0.024 0.000 1.596 189 M HN 0.606 nan 8.290 nan 0.000 0.439 190 D N 3.456 123.646 120.400 -0.349 0.000 2.294 190 D HA 0.336 4.975 4.640 -0.002 0.000 0.250 190 D C -1.397 174.584 176.300 -0.532 0.000 1.058 190 D CA 0.412 54.222 54.000 -0.318 0.000 0.950 190 D CB 0.818 41.438 40.800 -0.300 0.000 1.158 190 D HN 0.550 nan 8.370 nan 0.000 0.453 191 Y N 0.353 120.624 120.300 -0.049 0.000 2.393 191 Y HA 0.420 4.969 4.550 -0.002 0.000 0.341 191 Y C -0.266 175.591 175.900 -0.072 0.000 0.988 191 Y CA -1.000 57.096 58.100 -0.006 0.000 1.078 191 Y CB 1.326 39.800 38.460 0.023 0.000 1.203 191 Y HN 0.048 nan 8.280 nan 0.000 0.453 192 L N 6.094 127.361 121.223 0.073 0.000 2.317 192 L HA 0.581 4.920 4.340 -0.002 0.000 0.281 192 L C -2.403 174.540 176.870 0.122 0.000 1.024 192 L CA -2.251 52.576 54.840 -0.021 0.000 0.810 192 L CB 1.351 43.436 42.059 0.043 0.000 1.240 192 L HN 0.392 nan 8.230 nan 0.000 0.427 193 P HA 0.249 nan 4.420 nan 0.000 0.285 193 P C 0.085 177.529 177.300 0.240 0.000 1.259 193 P CA -0.391 62.815 63.100 0.175 0.000 0.794 193 P CB 1.592 33.393 31.700 0.168 0.000 0.940 194 G N 1.829 110.732 108.800 0.172 0.000 3.192 194 G HA2 0.321 4.280 3.960 -0.002 0.000 0.239 194 G HA3 0.321 4.280 3.960 -0.002 0.000 0.239 194 G C 0.615 175.573 174.900 0.096 0.000 1.084 194 G CA 0.010 45.198 45.100 0.147 0.000 0.784 194 G HN 0.658 nan 8.290 nan 0.000 0.540 195 G N -0.527 108.332 108.800 0.098 0.000 2.857 195 G HA2 0.480 4.439 3.960 -0.002 0.000 0.217 195 G HA3 0.480 4.439 3.960 -0.002 0.000 0.217 195 G C 1.056 176.003 174.900 0.078 0.000 1.357 195 G CA 0.400 45.534 45.100 0.057 0.000 1.033 195 G HN 0.307 nan 8.290 nan 0.000 0.571 196 A N -1.124 121.724 122.820 0.048 0.000 2.169 196 A HA 0.317 4.635 4.320 -0.002 0.000 0.212 196 A C 0.946 178.624 177.584 0.157 0.000 1.153 196 A CA 1.709 53.764 52.037 0.030 0.000 0.756 196 A CB -0.429 18.555 19.000 -0.026 0.000 0.813 196 A HN 0.692 nan 8.150 nan 0.000 0.471 197 D N -1.954 118.552 120.400 0.177 0.000 2.898 197 D HA 0.162 4.801 4.640 -0.002 0.000 0.266 197 D C 0.598 177.006 176.300 0.181 0.000 1.173 197 D CA 0.109 54.240 54.000 0.218 0.000 1.078 197 D CB -0.231 40.647 40.800 0.129 0.000 1.326 197 D HN -0.014 nan 8.370 nan 0.000 0.622 198 E N -0.312 119.952 120.200 0.107 0.000 2.476 198 E HA 0.035 4.384 4.350 -0.002 0.000 0.191 198 E C -0.282 176.347 176.600 0.049 0.000 1.064 198 E CA 0.027 56.465 56.400 0.063 0.000 0.866 198 E CB -0.787 28.918 29.700 0.008 0.000 0.952 198 E HN 0.311 nan 8.360 nan 0.000 0.492 199 T N 2.036 116.623 114.554 0.054 0.000 2.888 199 T HA 0.267 4.616 4.350 -0.002 0.000 0.301 199 T C 0.354 175.081 174.700 0.044 0.000 1.001 199 T CA -0.059 62.062 62.100 0.035 0.000 1.147 199 T CB 1.258 70.143 68.868 0.028 0.000 0.931 199 T HN 0.233 nan 8.240 nan 0.000 0.541 200 V N 1.010 120.942 119.914 0.029 0.000 3.158 200 V HA 1.023 5.142 4.120 -0.002 0.000 0.315 200 V C -0.055 176.035 176.094 -0.007 0.000 1.148 200 V CA -0.869 61.458 62.300 0.044 0.000 1.042 200 V CB 1.987 33.861 31.823 0.084 0.000 1.101 200 V HN 1.011 nan 8.190 nan 0.000 0.448 201 T N -1.588 112.954 114.554 -0.020 0.000 2.787 201 T HA 0.558 4.907 4.350 -0.002 0.000 0.297 201 T C -0.543 174.051 174.700 -0.178 0.000 1.221 201 T CA -0.578 61.472 62.100 -0.082 0.000 1.006 201 T CB 1.790 70.638 68.868 -0.033 0.000 1.328 201 T HN 1.201 nan 8.240 nan 0.000 0.509 202 E N 0.748 120.821 120.200 -0.211 0.000 2.409 202 E HA 0.169 4.518 4.350 -0.002 0.000 0.257 202 E C -0.502 176.094 176.600 -0.007 0.000 1.150 202 E CA -0.376 55.883 56.400 -0.234 0.000 0.942 202 E CB -0.470 29.138 29.700 -0.154 0.000 0.979 202 E HN 0.633 nan 8.360 nan 0.000 0.447 203 T N 2.848 117.465 114.554 0.106 0.000 2.761 203 T HA 0.061 4.410 4.350 -0.002 0.000 0.287 203 T C 0.226 175.012 174.700 0.143 0.000 0.931 203 T CA 0.048 62.280 62.100 0.220 0.000 1.164 203 T CB -0.027 68.977 68.868 0.226 0.000 0.876 203 T HN 0.250 nan 8.240 nan 0.000 0.534 204 Q N 1.525 121.414 119.800 0.147 0.000 2.312 204 Q HA 0.579 4.918 4.340 -0.002 0.000 0.236 204 Q C 0.417 176.512 176.000 0.157 0.000 0.965 204 Q CA -0.873 54.988 55.803 0.097 0.000 0.894 204 Q CB 0.814 29.567 28.738 0.024 0.000 1.225 204 Q HN 0.790 nan 8.270 nan 0.000 0.478 205 A N 1.607 124.495 122.820 0.114 0.000 2.531 205 A HA -0.034 4.285 4.320 -0.002 0.000 0.236 205 A C -0.993 176.686 177.584 0.159 0.000 1.062 205 A CA 0.039 52.170 52.037 0.157 0.000 0.760 205 A CB 0.150 19.211 19.000 0.101 0.000 0.995 205 A HN 0.706 nan 8.150 nan 0.000 0.501 206 W N 3.052 124.394 121.300 0.071 0.000 2.349 206 W HA 0.255 4.914 4.660 -0.002 0.000 0.309 206 W C -0.425 176.007 176.519 -0.145 0.000 1.083 206 W CA -0.463 56.871 57.345 -0.018 0.000 1.224 206 W CB 1.536 31.034 29.460 0.063 0.000 1.256 206 W HN 1.017 nan 8.180 nan 0.000 0.461 207 D N 2.278 122.422 120.400 -0.426 0.000 2.162 207 D HA -0.110 4.529 4.640 -0.002 0.000 0.205 207 D C -0.007 176.041 176.300 -0.420 0.000 0.964 207 D CA 1.089 54.904 54.000 -0.308 0.000 0.847 207 D CB 0.189 40.810 40.800 -0.298 0.000 0.988 207 D HN 0.571 nan 8.370 nan 0.000 0.480 208 E N -1.288 118.492 120.200 -0.700 0.000 2.383 208 E HA 0.501 4.850 4.350 -0.002 0.000 0.275 208 E C -1.453 174.668 176.600 -0.798 0.000 0.918 208 E CA -0.998 55.055 56.400 -0.578 0.000 0.764 208 E CB 1.289 30.834 29.700 -0.258 0.000 1.252 208 E HN -0.082 nan 8.360 nan 0.000 0.449 209 F N 1.216 121.172 119.950 0.011 0.000 2.530 209 F HA 0.306 4.832 4.527 -0.002 0.000 0.318 209 F C -2.061 173.424 175.800 -0.525 0.000 1.356 209 F CA -2.097 55.715 58.000 -0.313 0.000 1.135 209 F CB 1.410 40.245 39.000 -0.274 0.000 1.315 209 F HN 0.256 nan 8.300 nan 0.000 0.549 210 P HA 0.096 nan 4.420 nan 0.000 0.231 210 P C -0.257 177.014 177.300 -0.049 0.000 1.811 210 P CA 0.022 63.071 63.100 -0.086 0.000 1.051 210 P CB -0.488 31.213 31.700 0.002 0.000 1.951 211 F N 0.631 120.715 119.950 0.223 0.000 2.545 211 F HA 0.091 4.617 4.527 -0.002 0.000 0.348 211 F C 1.261 177.162 175.800 0.167 0.000 1.163 211 F CA -0.226 57.890 58.000 0.194 0.000 1.331 211 F CB 0.582 39.672 39.000 0.149 0.000 1.138 211 F HN -0.042 nan 8.300 nan 0.000 0.602 212 V N 2.813 122.961 119.914 0.390 0.000 2.325 212 V HA 0.217 4.336 4.120 -0.002 0.000 0.280 212 V C -0.293 175.867 176.094 0.110 0.000 1.016 212 V CA -0.813 61.636 62.300 0.248 0.000 0.818 212 V CB 0.875 32.907 31.823 0.349 0.000 1.019 212 V HN 0.578 nan 8.190 nan 0.000 0.434 213 E N 3.089 123.319 120.200 0.051 0.000 2.301 213 E HA 0.244 4.593 4.350 -0.002 0.000 0.275 213 E C 0.038 176.574 176.600 -0.107 0.000 1.030 213 E CA -0.266 56.081 56.400 -0.088 0.000 0.852 213 E CB 1.786 31.420 29.700 -0.110 0.000 1.060 213 E HN 0.804 nan 8.360 nan 0.000 0.401 214 Y N -0.320 119.931 120.300 -0.081 0.000 2.524 214 Y HA 0.172 4.721 4.550 -0.002 0.000 0.270 214 Y C 1.097 176.960 175.900 -0.061 0.000 1.094 214 Y CA -0.198 57.845 58.100 -0.094 0.000 1.276 214 Y CB 0.017 38.396 38.460 -0.134 0.000 1.130 214 Y HN 0.488 nan 8.280 nan 0.000 0.536 215 H N 3.734 122.430 119.070 -0.624 0.000 2.732 215 H HA 0.088 4.643 4.556 -0.002 0.000 0.351 215 H C -1.822 173.404 175.328 -0.171 0.000 1.090 215 H CA -1.564 54.282 56.048 -0.337 0.000 1.431 215 H CB 1.708 31.171 29.762 -0.500 0.000 1.447 215 H HN 0.046 nan 8.280 nan 0.000 0.582 216 P HA -0.143 nan 4.420 nan 0.000 0.217 216 P C 0.692 177.991 177.300 -0.002 0.000 1.148 216 P CA 1.289 64.296 63.100 -0.155 0.000 0.828 216 P CB 0.331 31.912 31.700 -0.198 0.000 0.783 217 D N -1.664 118.854 120.400 0.197 0.000 2.348 217 D HA -0.007 4.632 4.640 -0.002 0.000 0.216 217 D C 1.564 177.839 176.300 -0.042 0.000 0.970 217 D CA 0.877 54.933 54.000 0.093 0.000 0.889 217 D CB -0.119 40.732 40.800 0.086 0.000 0.912 217 D HN 0.261 nan 8.370 nan 0.000 0.524 218 L N -0.083 121.086 121.223 -0.090 0.000 2.878 218 L HA 0.097 4.435 4.340 -0.002 0.000 0.253 218 L C 1.243 178.070 176.870 -0.072 0.000 1.135 218 L CA 0.009 54.766 54.840 -0.139 0.000 0.943 218 L CB 0.221 42.114 42.059 -0.276 0.000 1.307 218 L HN -0.077 nan 8.230 nan 0.000 0.545 219 N N 0.421 119.088 118.700 -0.055 0.000 2.422 219 N HA 0.003 4.742 4.740 -0.002 0.000 0.181 219 N C 1.404 176.913 175.510 -0.002 0.000 1.080 219 N CA 0.856 53.889 53.050 -0.028 0.000 0.893 219 N CB 0.001 38.470 38.487 -0.029 0.000 0.973 219 N HN 0.135 nan 8.380 nan 0.000 0.456 220 G N -0.353 108.445 108.800 -0.004 0.000 2.187 220 G HA2 -0.355 3.603 3.960 -0.002 0.000 0.261 220 G HA3 -0.355 3.603 3.960 -0.002 0.000 0.261 220 G C -0.296 174.610 174.900 0.009 0.000 1.000 220 G CA 0.599 45.703 45.100 0.008 0.000 0.718 220 G HN 0.644 nan 8.290 nan 0.000 0.519 221 E N 0.609 120.812 120.200 0.004 0.000 2.249 221 E HA 0.585 4.934 4.350 -0.002 0.000 0.280 221 E C 0.553 177.155 176.600 0.004 0.000 1.016 221 E CA -0.159 56.245 56.400 0.006 0.000 0.830 221 E CB 0.573 30.275 29.700 0.004 0.000 1.081 221 E HN 0.096 nan 8.360 nan 0.000 0.395 222 T N 4.935 119.493 114.554 0.006 0.000 2.814 222 T HA 0.197 4.545 4.350 -0.002 0.000 0.297 222 T C 0.174 174.875 174.700 0.002 0.000 0.956 222 T CA -0.467 61.636 62.100 0.005 0.000 1.123 222 T CB 0.133 69.005 68.868 0.007 0.000 0.902 222 T HN 0.297 nan 8.240 nan 0.000 0.528 223 I N 4.069 124.638 120.570 -0.001 0.000 2.496 223 I HA 0.144 4.312 4.170 -0.002 0.000 0.285 223 I C 0.336 176.453 176.117 -0.001 0.000 1.080 223 I CA -0.456 60.842 61.300 -0.003 0.000 1.404 223 I CB 0.656 38.652 38.000 -0.006 0.000 1.403 223 I HN 0.294 nan 8.210 nan 0.000 0.539 224 V N 8.832 128.745 119.914 -0.001 0.000 2.350 224 V HA 0.324 4.443 4.120 -0.002 0.000 0.276 224 V C -1.516 174.577 176.094 -0.002 0.000 1.028 224 V CA -1.174 61.126 62.300 -0.000 0.000 0.860 224 V CB 1.130 32.954 31.823 0.001 0.000 0.990 224 V HN 0.709 nan 8.190 nan 0.000 0.453 225 P HA 0.467 nan 4.420 nan 0.000 0.274 225 P C -1.075 176.224 177.300 -0.002 0.000 1.256 225 P CA -0.485 62.614 63.100 -0.002 0.000 0.795 225 P CB 1.672 33.371 31.700 -0.000 0.000 1.038 226 L N 0.144 121.365 121.223 -0.003 0.000 2.445 226 L HA 0.395 4.733 4.340 -0.002 0.000 0.262 226 L C -0.053 176.815 176.870 -0.003 0.000 0.974 226 L CA -1.059 53.779 54.840 -0.003 0.000 0.822 226 L CB 2.711 44.767 42.059 -0.005 0.000 1.339 226 L HN 0.366 nan 8.230 nan 0.000 0.409 227 K N 3.178 123.576 120.400 -0.002 0.000 2.118 227 K HA 0.442 4.761 4.320 -0.002 0.000 0.264 227 K C -2.206 174.392 176.600 -0.002 0.000 1.000 227 K CA -1.092 55.194 56.287 -0.002 0.000 0.929 227 K CB 0.611 33.111 32.500 -0.001 0.000 1.021 227 K HN 0.322 nan 8.250 nan 0.000 0.463 228 P HA 0.111 nan 4.420 nan 0.000 0.272 228 P C -1.245 176.054 177.300 -0.002 0.000 1.223 228 P CA -0.269 62.830 63.100 -0.003 0.000 0.784 228 P CB 0.514 32.213 31.700 -0.001 0.000 0.923 229 L N 2.352 123.573 121.223 -0.004 0.000 2.482 229 L HA 0.443 4.782 4.340 -0.002 0.000 0.269 229 L C -1.300 175.567 176.870 -0.004 0.000 0.967 229 L CA -0.590 54.248 54.840 -0.003 0.000 0.851 229 L CB 1.015 43.071 42.059 -0.004 0.000 1.242 229 L HN 0.134 nan 8.230 nan 0.000 0.404 230 I N 5.219 125.788 120.570 -0.001 0.000 2.530 230 I HA 0.489 4.658 4.170 -0.002 0.000 0.297 230 I C -0.263 175.856 176.117 0.003 0.000 1.011 230 I CA -0.781 60.519 61.300 -0.000 0.000 1.107 230 I CB 2.066 40.068 38.000 0.002 0.000 1.285 230 I HN 0.214 nan 8.210 nan 0.000 0.436 231 V N 6.001 125.917 119.914 0.003 0.000 2.459 231 V HA 0.472 4.591 4.120 -0.002 0.000 0.295 231 V C -0.226 175.879 176.094 0.017 0.000 1.029 231 V CA -0.622 61.685 62.300 0.012 0.000 0.874 231 V CB 1.889 33.719 31.823 0.011 0.000 0.985 231 V HN 0.724 nan 8.190 nan 0.000 0.438 232 Q N 3.524 123.339 119.800 0.025 0.000 2.397 232 Q HA 0.566 4.905 4.340 -0.002 0.000 0.275 232 Q C -1.357 174.667 176.000 0.040 0.000 1.090 232 Q CA -0.750 55.069 55.803 0.028 0.000 0.809 232 Q CB 3.064 31.814 28.738 0.021 0.000 1.362 232 Q HN 0.645 nan 8.270 nan 0.000 0.431 233 Q N 1.422 121.248 119.800 0.042 0.000 2.798 233 Q HA 0.222 4.561 4.340 -0.002 0.000 0.250 233 Q C -2.075 173.944 176.000 0.032 0.000 1.006 233 Q CA -1.607 54.225 55.803 0.049 0.000 0.759 233 Q CB 1.258 30.039 28.738 0.071 0.000 1.201 233 Q HN 0.392 nan 8.270 nan 0.000 0.486 234 P HA -0.187 nan 4.420 nan 0.000 0.218 234 P C 0.165 177.471 177.300 0.011 0.000 1.146 234 P CA 1.303 64.412 63.100 0.016 0.000 0.813 234 P CB 0.344 32.053 31.700 0.014 0.000 0.778 235 E N -0.836 119.372 120.200 0.014 0.000 2.451 235 E HA 0.373 4.722 4.350 -0.002 0.000 0.194 235 E C 0.773 177.372 176.600 -0.001 0.000 1.027 235 E CA -0.070 56.333 56.400 0.005 0.000 0.914 235 E CB 0.025 29.729 29.700 0.006 0.000 1.054 235 E HN 0.122 nan 8.360 nan 0.000 0.461 236 G N 2.766 111.567 108.800 0.003 0.000 2.756 236 G HA2 -0.181 3.778 3.960 -0.002 0.000 0.678 236 G HA3 -0.181 3.778 3.960 -0.002 0.000 0.678 236 G C -2.794 172.108 174.900 0.002 0.000 1.349 236 G CA -0.990 44.101 45.100 -0.015 0.000 0.847 236 G HN 0.015 nan 8.290 nan 0.000 0.548 237 P HA 0.432 nan 4.420 nan 0.000 0.276 237 P C 0.390 177.707 177.300 0.029 0.000 1.252 237 P CA -0.157 62.956 63.100 0.021 0.000 0.802 237 P CB 1.270 32.871 31.700 -0.165 0.000 1.035 238 S N -0.063 115.789 115.700 0.252 0.000 2.634 238 S HA 0.212 4.681 4.470 -0.002 0.000 0.221 238 S C 0.381 175.216 174.600 0.392 0.000 0.952 238 S CA -0.301 58.054 58.200 0.259 0.000 0.930 238 S CB -1.056 62.310 63.200 0.278 0.000 0.780 238 S HN 0.549 nan 8.310 nan 0.000 0.498 239 F N 0.596 120.692 119.950 0.243 0.000 2.538 239 F HA 0.810 5.336 4.527 -0.002 0.000 0.325 239 F C -0.626 175.169 175.800 -0.009 0.000 1.066 239 F CA -1.497 56.567 58.000 0.107 0.000 0.946 239 F CB 0.808 39.758 39.000 -0.084 0.000 1.199 239 F HN -0.160 nan 8.300 nan 0.000 0.473 240 N N 1.177 119.863 118.700 -0.023 0.000 2.361 240 N HA 0.627 5.366 4.740 -0.002 0.000 0.302 240 N C -1.984 173.503 175.510 -0.038 0.000 1.074 240 N CA -0.627 52.356 53.050 -0.112 0.000 0.850 240 N CB 2.112 40.541 38.487 -0.098 0.000 1.228 240 N HN 0.602 nan 8.380 nan 0.000 0.491 241 V N 2.314 122.198 119.914 -0.051 0.000 2.409 241 V HA 0.341 4.460 4.120 -0.002 0.000 0.291 241 V C -0.890 175.159 176.094 -0.076 0.000 1.020 241 V CA -0.710 61.567 62.300 -0.038 0.000 0.848 241 V CB 1.148 32.986 31.823 0.024 0.000 0.990 241 V HN 0.794 nan 8.190 nan 0.000 0.430 242 D N 3.907 124.250 120.400 -0.094 0.000 2.454 242 D HA 0.589 5.228 4.640 -0.002 0.000 0.247 242 D C 0.803 177.076 176.300 -0.045 0.000 1.129 242 D CA 0.892 54.852 54.000 -0.068 0.000 0.877 242 D CB 1.162 41.921 40.800 -0.068 0.000 1.082 242 D HN 0.793 nan 8.370 nan 0.000 0.537 243 G N 3.984 112.758 108.800 -0.043 0.000 2.889 243 G HA2 -0.350 3.609 3.960 -0.002 0.000 0.308 243 G HA3 -0.350 3.609 3.960 -0.002 0.000 0.308 243 G C 0.796 175.569 174.900 -0.211 0.000 1.248 243 G CA 0.377 45.459 45.100 -0.030 0.000 0.982 243 G HN 0.650 nan 8.290 nan 0.000 0.571 244 H N 1.280 120.407 119.070 0.096 0.000 2.923 244 H HA 0.230 4.785 4.556 -0.002 0.000 0.268 244 H C 0.921 176.285 175.328 0.059 0.000 1.148 244 H CA 0.436 56.565 56.048 0.136 0.000 1.146 244 H CB 0.719 30.619 29.762 0.230 0.000 1.607 244 H HN 0.411 nan 8.280 nan 0.000 0.566 245 K N 2.057 122.419 120.400 -0.064 0.000 2.284 245 K HA 0.174 4.493 4.320 -0.002 0.000 0.287 245 K C -0.621 175.743 176.600 -0.393 0.000 1.081 245 K CA -0.484 55.527 56.287 -0.460 0.000 0.910 245 K CB 0.299 32.462 32.500 -0.562 0.000 1.088 245 K HN -0.079 nan 8.250 nan 0.000 0.478 246 I N 3.016 123.243 120.570 -0.573 0.000 2.365 246 I HA 0.187 4.356 4.170 -0.002 0.000 0.291 246 I C -0.106 175.585 176.117 -0.711 0.000 1.004 246 I CA -0.498 60.403 61.300 -0.665 0.000 1.311 246 I CB 1.316 38.687 38.000 -1.049 0.000 1.401 246 I HN 0.496 nan 8.210 nan 0.000 0.491 247 S N 6.006 121.464 115.700 -0.404 0.000 2.519 247 S HA 0.589 5.058 4.470 -0.002 0.000 0.309 247 S C -1.337 173.225 174.600 -0.062 0.000 1.100 247 S CA -0.616 57.438 58.200 -0.244 0.000 1.059 247 S CB 1.366 64.477 63.200 -0.149 0.000 1.008 247 S HN 0.595 nan 8.310 nan 0.000 0.478 248 W N 3.608 124.780 121.300 -0.214 0.000 3.423 248 W HA 0.315 4.974 4.660 -0.002 0.000 0.330 248 W C -0.707 175.909 176.519 0.162 0.000 1.102 248 W CA -0.308 56.988 57.345 -0.081 0.000 1.261 248 W CB 0.633 29.895 29.460 -0.331 0.000 1.283 248 W HN 0.633 nan 8.180 nan 0.000 0.447 249 Q N 4.028 123.568 119.800 -0.433 0.000 2.457 249 Q HA -0.200 4.139 4.340 -0.002 0.000 0.283 249 Q C 1.016 176.955 176.000 -0.102 0.000 1.234 249 Q CA 2.355 57.860 55.803 -0.497 0.000 0.877 249 Q CB -1.615 26.359 28.738 -1.273 0.000 1.250 249 Q HN 1.677 nan 8.270 nan 0.000 0.481 250 G N -2.519 106.254 108.800 -0.045 0.000 2.232 250 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.226 250 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.226 250 G C -0.251 174.692 174.900 0.072 0.000 0.996 250 G CA -0.067 44.968 45.100 -0.109 0.000 0.626 250 G HN 0.192 nan 8.290 nan 0.000 0.509 251 W N 1.448 122.938 121.300 0.315 0.000 2.376 251 W HA 0.699 5.358 4.660 -0.002 0.000 0.322 251 W C 0.434 176.971 176.519 0.029 0.000 1.160 251 W CA -0.428 57.133 57.345 0.360 0.000 1.218 251 W CB 0.864 30.592 29.460 0.447 0.000 1.205 251 W HN 0.111 nan 8.180 nan 0.000 0.559 252 E N 2.850 123.247 120.200 0.329 0.000 2.290 252 E HA 0.568 4.917 4.350 -0.002 0.000 0.274 252 E C -1.165 175.511 176.600 0.127 0.000 0.889 252 E CA -0.893 55.481 56.400 -0.044 0.000 0.760 252 E CB 1.892 31.560 29.700 -0.053 0.000 1.206 252 E HN 0.328 nan 8.360 nan 0.000 0.419 253 F N -0.622 119.248 119.950 -0.133 0.000 2.770 253 F HA 0.594 5.120 4.527 -0.002 0.000 0.313 253 F C -1.689 173.943 175.800 -0.280 0.000 1.154 253 F CA -1.398 56.557 58.000 -0.074 0.000 0.923 253 F CB 0.775 39.779 39.000 0.006 0.000 1.301 253 F HN 0.194 nan 8.300 nan 0.000 0.449 254 F N 1.208 121.368 119.950 0.350 0.000 2.450 254 F HA 0.733 5.259 4.527 -0.002 0.000 0.332 254 F C -0.274 175.751 175.800 0.375 0.000 1.093 254 F CA -1.252 56.907 58.000 0.264 0.000 1.003 254 F CB 2.047 41.158 39.000 0.186 0.000 1.151 254 F HN 0.333 nan 8.300 nan 0.000 0.474 255 V N 5.088 125.302 119.914 0.499 0.000 2.407 255 V HA 0.421 4.539 4.120 -0.002 0.000 0.291 255 V C -0.543 175.804 176.094 0.423 0.000 1.018 255 V CA -0.599 61.950 62.300 0.415 0.000 0.842 255 V CB 1.412 33.390 31.823 0.259 0.000 0.996 255 V HN 0.421 nan 8.190 nan 0.000 0.426 256 I N 6.542 127.353 120.570 0.401 0.000 2.382 256 I HA 0.441 4.610 4.170 -0.002 0.000 0.286 256 I C -2.625 173.684 176.117 0.321 0.000 1.002 256 I CA -2.812 58.651 61.300 0.272 0.000 1.135 256 I CB 1.853 39.973 38.000 0.200 0.000 1.288 256 I HN 0.339 nan 8.210 nan 0.000 0.448 257 P HA 0.151 nan 4.420 nan 0.000 0.268 257 P C -0.187 177.244 177.300 0.218 0.000 1.204 257 P CA 0.296 63.565 63.100 0.281 0.000 0.768 257 P CB 0.567 32.407 31.700 0.233 0.000 0.842 258 T N -1.004 113.682 114.554 0.219 0.000 2.903 258 T HA 0.239 4.588 4.350 -0.002 0.000 0.299 258 T C 0.489 175.292 174.700 0.171 0.000 1.093 258 T CA -0.657 61.555 62.100 0.187 0.000 1.002 258 T CB 1.384 70.377 68.868 0.209 0.000 1.127 258 T HN 0.053 nan 8.240 nan 0.000 0.488 259 V N 1.598 121.605 119.914 0.154 0.000 2.667 259 V HA 0.068 4.186 4.120 -0.002 0.000 0.252 259 V C 2.592 178.773 176.094 0.145 0.000 1.065 259 V CA 2.059 64.441 62.300 0.137 0.000 1.083 259 V CB -0.561 31.327 31.823 0.109 0.000 0.692 259 V HN 0.945 nan 8.190 nan 0.000 0.468 260 R N -0.340 120.247 120.500 0.144 0.000 2.112 260 R HA 0.022 4.361 4.340 -0.002 0.000 0.216 260 R C 1.950 178.288 176.300 0.063 0.000 1.080 260 R CA 1.398 57.541 56.100 0.072 0.000 0.996 260 R CB 0.031 30.305 30.300 -0.043 0.000 0.902 260 R HN 0.586 nan 8.270 nan 0.000 0.449 261 E N -1.305 118.948 120.200 0.088 0.000 2.472 261 E HA 0.215 4.564 4.350 -0.002 0.000 0.196 261 E C 0.824 177.430 176.600 0.010 0.000 1.033 261 E CA 0.342 56.737 56.400 -0.008 0.000 0.886 261 E CB 1.116 30.805 29.700 -0.018 0.000 0.944 261 E HN 0.544 nan 8.360 nan 0.000 0.492 262 G N 1.584 110.471 108.800 0.145 0.000 4.365 262 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.214 262 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.214 262 G C 0.047 175.101 174.900 0.257 0.000 1.450 262 G CA 0.294 45.512 45.100 0.196 0.000 0.937 262 G HN 0.344 nan 8.290 nan 0.000 0.625 263 F N -0.880 119.167 119.950 0.162 0.000 2.686 263 F HA 0.909 5.435 4.527 -0.002 0.000 0.311 263 F C -0.303 175.555 175.800 0.098 0.000 1.128 263 F CA -0.833 57.253 58.000 0.144 0.000 0.946 263 F CB 1.214 40.305 39.000 0.151 0.000 1.336 263 F HN 1.176 nan 8.300 nan 0.000 0.457 264 A N 1.816 124.838 122.820 0.337 0.000 2.454 264 A HA 0.875 5.194 4.320 -0.002 0.000 0.302 264 A C -1.388 176.283 177.584 0.146 0.000 1.079 264 A CA -0.929 51.156 52.037 0.078 0.000 0.731 264 A CB 1.376 20.272 19.000 -0.174 0.000 1.299 264 A HN 0.781 nan 8.150 nan 0.000 0.413 265 I N 1.247 121.793 120.570 -0.041 0.000 2.404 265 I HA 0.445 4.613 4.170 -0.002 0.000 0.293 265 I C -1.261 174.738 176.117 -0.196 0.000 0.992 265 I CA -0.409 60.924 61.300 0.054 0.000 1.149 265 I CB 1.370 39.431 38.000 0.102 0.000 1.315 265 I HN 0.671 nan 8.210 nan 0.000 0.446 266 Y N 2.216 122.523 120.300 0.011 0.000 2.524 266 Y HA 0.265 4.814 4.550 -0.002 0.000 0.344 266 Y C 0.341 176.313 175.900 0.121 0.000 1.012 266 Y CA -0.816 57.155 58.100 -0.216 0.000 1.068 266 Y CB 1.306 39.231 38.460 -0.890 0.000 1.249 266 Y HN 0.681 nan 8.280 nan 0.000 0.468 267 D N 1.109 121.613 120.400 0.174 0.000 2.699 267 D HA -0.200 4.438 4.640 -0.002 0.000 0.239 267 D C -1.115 175.557 176.300 0.621 0.000 1.136 267 D CA 0.452 54.748 54.000 0.493 0.000 0.668 267 D CB -0.856 40.404 40.800 0.766 0.000 1.060 267 D HN 0.470 nan 8.370 nan 0.000 0.429 268 I N 1.507 122.331 120.570 0.423 0.000 2.452 268 I HA 0.184 4.353 4.170 -0.002 0.000 0.287 268 I C 0.695 177.084 176.117 0.454 0.000 1.079 268 I CA 0.017 61.609 61.300 0.487 0.000 1.387 268 I CB 0.518 38.720 38.000 0.336 0.000 1.404 268 I HN 0.165 nan 8.210 nan 0.000 0.522 269 H N 5.760 125.095 119.070 0.442 0.000 2.622 269 H HA 0.558 5.113 4.556 -0.002 0.000 0.363 269 H C -1.281 174.283 175.328 0.392 0.000 1.151 269 H CA -0.640 55.616 56.048 0.346 0.000 1.184 269 H CB 2.185 32.099 29.762 0.253 0.000 1.643 269 H HN 0.465 nan 8.280 nan 0.000 0.531 270 F N 2.476 122.482 119.950 0.092 0.000 2.561 270 F HA 0.261 4.787 4.527 -0.002 0.000 0.313 270 F C -0.417 175.401 175.800 0.030 0.000 1.126 270 F CA -1.016 56.824 58.000 -0.267 0.000 0.918 270 F CB 0.969 39.465 39.000 -0.840 0.000 1.199 270 F HN 0.414 nan 8.300 nan 0.000 0.444 271 K N 4.110 124.166 120.400 -0.573 0.000 3.035 271 K HA -0.221 4.098 4.320 -0.002 0.000 0.262 271 K C 0.725 177.290 176.600 -0.058 0.000 1.024 271 K CA 1.048 57.101 56.287 -0.390 0.000 0.748 271 K CB -2.013 30.245 32.500 -0.403 0.000 1.247 271 K HN 1.431 nan 8.250 nan 0.000 0.482 272 G N -0.150 108.672 108.800 0.037 0.000 2.184 272 G HA2 -0.359 3.600 3.960 -0.002 0.000 0.264 272 G HA3 -0.359 3.600 3.960 -0.002 0.000 0.264 272 G C 0.068 175.115 174.900 0.245 0.000 0.975 272 G CA 0.789 45.963 45.100 0.125 0.000 0.642 272 G HN 0.402 nan 8.290 nan 0.000 0.536 273 R N 0.302 120.957 120.500 0.258 0.000 2.668 273 R HA 0.632 4.971 4.340 -0.002 0.000 0.279 273 R C 0.110 176.507 176.300 0.162 0.000 0.976 273 R CA -0.142 56.099 56.100 0.235 0.000 0.978 273 R CB 1.536 31.966 30.300 0.217 0.000 1.133 273 R HN 0.225 nan 8.270 nan 0.000 0.484 274 S N 0.439 116.093 115.700 -0.076 0.000 2.565 274 S HA 0.189 4.658 4.470 -0.002 0.000 0.276 274 S C 0.727 175.261 174.600 -0.110 0.000 1.326 274 S CA -0.530 57.391 58.200 -0.466 0.000 1.045 274 S CB 0.811 63.727 63.200 -0.472 0.000 0.918 274 S HN 0.416 nan 8.310 nan 0.000 0.505 275 V N 4.124 123.928 119.914 -0.184 0.000 3.054 275 V HA 0.374 4.493 4.120 -0.002 0.000 0.227 275 V C -0.362 175.612 176.094 -0.200 0.000 1.252 275 V CA 0.157 62.293 62.300 -0.273 0.000 1.279 275 V CB 0.626 32.227 31.823 -0.370 0.000 1.118 275 V HN 0.655 nan 8.190 nan 0.000 0.504 276 V N -0.786 119.088 119.914 -0.067 0.000 2.777 276 V HA 0.334 4.453 4.120 -0.002 0.000 0.306 276 V C 0.030 176.191 176.094 0.112 0.000 1.112 276 V CA -0.539 61.762 62.300 0.001 0.000 0.917 276 V CB 2.104 33.898 31.823 -0.048 0.000 1.018 276 V HN 0.410 nan 8.190 nan 0.000 0.426 277 Y N 4.710 125.051 120.300 0.069 0.000 2.243 277 Y HA 0.303 4.852 4.550 -0.002 0.000 0.293 277 Y C 1.130 177.084 175.900 0.091 0.000 1.124 277 Y CA 1.305 59.502 58.100 0.160 0.000 1.159 277 Y CB 0.336 38.902 38.460 0.176 0.000 1.008 277 Y HN 0.529 nan 8.280 nan 0.000 0.527 278 R N 0.734 121.194 120.500 -0.067 0.000 2.584 278 R HA 0.458 4.797 4.340 -0.002 0.000 0.276 278 R C -2.597 173.571 176.300 -0.220 0.000 1.046 278 R CA -0.885 55.030 56.100 -0.308 0.000 0.906 278 R CB 1.542 31.673 30.300 -0.281 0.000 1.215 278 R HN 0.194 nan 8.270 nan 0.000 0.449 279 L N 2.885 123.950 121.223 -0.264 0.000 2.410 279 L HA 0.710 5.048 4.340 -0.002 0.000 0.270 279 L C -1.563 175.211 176.870 -0.161 0.000 0.983 279 L CA 0.029 54.770 54.840 -0.166 0.000 0.822 279 L CB 2.195 44.186 42.059 -0.114 0.000 1.285 279 L HN 0.825 nan 8.230 nan 0.000 0.409 280 S N 3.539 119.168 115.700 -0.119 0.000 2.567 280 S HA 0.569 5.038 4.470 -0.002 0.000 0.270 280 S C -1.334 173.223 174.600 -0.070 0.000 1.152 280 S CA -0.908 57.213 58.200 -0.132 0.000 0.835 280 S CB 1.025 64.122 63.200 -0.172 0.000 1.115 280 S HN 0.773 nan 8.310 nan 0.000 0.459 281 L N 2.429 123.533 121.223 -0.198 0.000 2.418 281 L HA 0.554 4.893 4.340 -0.002 0.000 0.274 281 L C 1.167 177.804 176.870 -0.388 0.000 1.135 281 L CA 0.824 55.361 54.840 -0.505 0.000 0.870 281 L CB 1.035 42.728 42.059 -0.610 0.000 1.154 281 L HN 0.991 nan 8.230 nan 0.000 0.462 282 S N 2.883 118.352 115.700 -0.386 0.000 2.460 282 S HA 0.216 4.685 4.470 -0.002 0.000 0.226 282 S C 0.393 174.900 174.600 -0.155 0.000 1.057 282 S CA 0.367 58.492 58.200 -0.125 0.000 0.948 282 S CB 0.137 63.332 63.200 -0.009 0.000 0.822 282 S HN 0.770 nan 8.310 nan 0.000 0.512 283 E N -0.132 119.820 120.200 -0.412 0.000 2.430 283 E HA 0.575 4.923 4.350 -0.002 0.000 0.279 283 E C -1.476 174.861 176.600 -0.438 0.000 1.003 283 E CA -0.504 55.671 56.400 -0.376 0.000 0.801 283 E CB 1.645 31.144 29.700 -0.337 0.000 1.313 283 E HN 0.307 nan 8.360 nan 0.000 0.459 284 M N 2.227 121.674 119.600 -0.256 0.000 2.238 284 M HA 0.424 4.903 4.480 -0.002 0.000 0.278 284 M C -1.619 174.599 176.300 -0.137 0.000 1.040 284 M CA -0.341 54.847 55.300 -0.187 0.000 0.969 284 M CB 2.000 34.397 32.600 -0.339 0.000 1.694 284 M HN 0.505 nan 8.290 nan 0.000 0.472 285 T N 3.425 117.914 114.554 -0.108 0.000 2.823 285 T HA 0.677 5.025 4.350 -0.002 0.000 0.279 285 T C -0.969 173.558 174.700 -0.287 0.000 0.998 285 T CA -0.436 61.383 62.100 -0.469 0.000 0.994 285 T CB 0.932 69.235 68.868 -0.943 0.000 0.960 285 T HN 0.500 nan 8.240 nan 0.000 0.448 286 V N 8.199 127.962 119.914 -0.252 0.000 2.326 286 V HA 0.345 4.464 4.120 -0.002 0.000 0.254 286 V C -2.206 173.821 176.094 -0.111 0.000 1.022 286 V CA -1.577 60.610 62.300 -0.188 0.000 1.074 286 V CB 0.404 32.168 31.823 -0.099 0.000 1.305 286 V HN 0.726 nan 8.190 nan 0.000 0.506 287 P HA 0.178 nan 4.420 nan 0.000 0.271 287 P C -0.915 176.319 177.300 -0.110 0.000 1.220 287 P CA 0.090 63.162 63.100 -0.047 0.000 0.768 287 P CB 0.831 32.478 31.700 -0.088 0.000 0.848 288 Y N 0.992 121.307 120.300 0.026 0.000 2.354 288 Y HA 0.454 5.003 4.550 -0.002 0.000 0.322 288 Y C 1.891 177.817 175.900 0.042 0.000 1.253 288 Y CA 0.419 58.545 58.100 0.044 0.000 1.272 288 Y CB 0.989 39.443 38.460 -0.011 0.000 1.255 288 Y HN 0.477 nan 8.280 nan 0.000 0.500 289 G N 0.234 109.126 108.800 0.154 0.000 3.453 289 G HA2 -0.027 3.932 3.960 -0.002 0.000 0.263 289 G HA3 -0.027 3.932 3.960 -0.002 0.000 0.263 289 G C -0.525 174.395 174.900 0.033 0.000 1.060 289 G CA -0.166 44.998 45.100 0.107 0.000 0.793 289 G HN 0.528 nan 8.290 nan 0.000 0.532 290 D N 1.783 122.183 120.400 0.001 0.000 2.325 290 D HA 0.152 4.790 4.640 -0.002 0.000 0.251 290 D C -1.001 175.114 176.300 -0.308 0.000 1.196 290 D CA -1.965 51.830 54.000 -0.342 0.000 0.866 290 D CB 2.194 42.898 40.800 -0.159 0.000 1.101 290 D HN 0.074 nan 8.370 nan 0.000 0.476 291 P HA -0.060 nan 4.420 nan 0.000 0.234 291 P C 0.063 177.227 177.300 -0.227 0.000 1.167 291 P CA 0.439 63.332 63.100 -0.345 0.000 0.763 291 P CB 0.479 31.907 31.700 -0.452 0.000 0.835 292 R N 0.068 120.454 120.500 -0.189 0.000 2.532 292 R HA 0.606 4.944 4.340 -0.002 0.000 0.272 292 R C 0.334 176.655 176.300 0.035 0.000 1.032 292 R CA -0.752 55.301 56.100 -0.079 0.000 1.089 292 R CB 0.826 31.110 30.300 -0.026 0.000 1.098 292 R HN -0.053 nan 8.270 nan 0.000 0.526 293 A N 2.607 125.411 122.820 -0.027 0.000 2.351 293 A HA 0.277 4.596 4.320 -0.002 0.000 0.257 293 A C -1.673 175.654 177.584 -0.428 0.000 1.087 293 A CA -1.307 50.745 52.037 0.025 0.000 0.798 293 A CB 0.085 19.093 19.000 0.012 0.000 1.033 293 A HN 0.608 nan 8.150 nan 0.000 0.488 294 P HA 0.035 nan 4.420 nan 0.000 0.249 294 P C 0.862 177.982 177.300 -0.300 0.000 1.229 294 P CA 0.561 63.455 63.100 -0.344 0.000 0.788 294 P CB -0.071 31.398 31.700 -0.384 0.000 1.072 295 F N 1.298 121.224 119.950 -0.040 0.000 2.161 295 F HA -0.229 4.297 4.527 -0.002 0.000 0.300 295 F C 2.692 178.408 175.800 -0.139 0.000 1.089 295 F CA 1.429 59.359 58.000 -0.116 0.000 1.282 295 F CB -1.518 37.420 39.000 -0.103 0.000 1.010 295 F HN 0.170 nan 8.300 nan 0.000 0.485 296 H N -0.112 119.008 119.070 0.084 0.000 2.460 296 H HA -0.097 4.458 4.556 -0.002 0.000 0.297 296 H C 1.905 177.278 175.328 0.075 0.000 1.103 296 H CA 1.398 57.477 56.048 0.053 0.000 1.292 296 H CB -0.593 29.167 29.762 -0.002 0.000 1.376 296 H HN 0.166 nan 8.280 nan 0.000 0.531 297 R N 0.730 120.862 120.500 -0.614 0.000 2.299 297 R HA 0.079 4.418 4.340 -0.002 0.000 0.197 297 R C 0.001 176.292 176.300 -0.016 0.000 0.971 297 R CA 0.106 56.019 56.100 -0.311 0.000 1.030 297 R CB 0.218 30.296 30.300 -0.370 0.000 0.932 297 R HN 0.347 nan 8.270 nan 0.000 0.477 298 K N 1.833 122.249 120.400 0.027 0.000 2.166 298 K HA -0.006 4.313 4.320 -0.002 0.000 0.273 298 K C -0.185 176.618 176.600 0.339 0.000 1.095 298 K CA 0.338 56.728 56.287 0.172 0.000 0.985 298 K CB 0.463 32.809 32.500 -0.256 0.000 1.172 298 K HN 0.013 nan 8.250 nan 0.000 0.401 299 Q N 2.594 122.584 119.800 0.316 0.000 3.412 299 Q HA 0.268 4.607 4.340 -0.002 0.000 0.219 299 Q C -1.323 174.805 176.000 0.214 0.000 0.913 299 Q CA -0.362 55.568 55.803 0.212 0.000 0.722 299 Q CB 1.162 29.988 28.738 0.148 0.000 1.385 299 Q HN 0.675 nan 8.270 nan 0.000 0.461 300 A N 2.050 124.983 122.820 0.188 0.000 2.425 300 A HA 0.488 4.807 4.320 -0.002 0.000 0.242 300 A C -0.885 176.685 177.584 -0.023 0.000 1.077 300 A CA 0.198 52.308 52.037 0.122 0.000 0.781 300 A CB 0.195 19.193 19.000 -0.003 0.000 1.020 300 A HN 0.620 nan 8.150 nan 0.000 0.494 301 F N 1.010 120.975 119.950 0.024 0.000 2.359 301 F HA 0.242 4.768 4.527 -0.002 0.000 0.370 301 F C 0.640 176.431 175.800 -0.015 0.000 1.077 301 F CA -0.578 57.429 58.000 0.012 0.000 1.136 301 F CB 1.507 40.511 39.000 0.007 0.000 1.387 301 F HN 0.664 nan 8.300 nan 0.000 0.468 302 D N 1.711 122.144 120.400 0.055 0.000 2.178 302 D HA -0.089 4.550 4.640 -0.002 0.000 0.202 302 D C 2.197 178.554 176.300 0.095 0.000 0.974 302 D CA 1.285 55.336 54.000 0.084 0.000 0.841 302 D CB 0.313 41.192 40.800 0.132 0.000 0.953 302 D HN 0.363 nan 8.370 nan 0.000 0.478 303 L N 0.561 121.773 121.223 -0.019 0.000 2.023 303 L HA 0.027 4.366 4.340 -0.002 0.000 0.205 303 L C 2.591 179.422 176.870 -0.065 0.000 1.073 303 L CA 1.643 56.435 54.840 -0.079 0.000 0.745 303 L CB -1.020 40.892 42.059 -0.245 0.000 0.900 303 L HN 0.037 nan 8.230 nan 0.000 0.435 304 G N -1.287 107.488 108.800 -0.041 0.000 2.408 304 G HA2 -0.202 3.757 3.960 -0.002 0.000 0.217 304 G HA3 -0.202 3.757 3.960 -0.002 0.000 0.217 304 G C 1.126 176.044 174.900 0.030 0.000 1.150 304 G CA 0.740 45.803 45.100 -0.061 0.000 0.776 304 G HN 0.329 nan 8.290 nan 0.000 0.542 305 D N -1.187 119.264 120.400 0.084 0.000 2.333 305 D HA 0.120 4.759 4.640 -0.002 0.000 0.208 305 D C 1.726 178.079 176.300 0.089 0.000 0.984 305 D CA 0.331 54.383 54.000 0.086 0.000 0.873 305 D CB 0.484 41.342 40.800 0.098 0.000 0.935 305 D HN 0.339 nan 8.370 nan 0.000 0.521 306 C N -1.315 118.041 119.300 0.093 0.000 3.108 306 C HA 0.578 5.037 4.460 -0.002 0.000 0.459 306 C C 0.720 175.781 174.990 0.119 0.000 1.439 306 C CA 0.233 59.310 59.018 0.098 0.000 2.376 306 C CB 0.381 28.171 27.740 0.084 0.000 2.844 306 C HN 0.376 nan 8.230 nan 0.000 0.516 307 G N 0.149 109.029 108.800 0.134 0.000 3.338 307 G HA2 -0.135 3.824 3.960 -0.002 0.000 0.686 307 G HA3 -0.135 3.824 3.960 -0.002 0.000 0.686 307 G C -0.227 174.821 174.900 0.246 0.000 1.053 307 G CA -0.278 44.914 45.100 0.154 0.000 0.852 307 G HN 0.295 nan 8.290 nan 0.000 0.545 308 F N 1.718 121.669 119.950 0.002 0.000 2.216 308 F HA 0.019 4.545 4.527 -0.002 0.000 0.300 308 F C 2.690 178.521 175.800 0.052 0.000 1.085 308 F CA 1.756 59.767 58.000 0.018 0.000 1.326 308 F CB 0.251 39.235 39.000 -0.027 0.000 1.027 308 F HN 0.660 nan 8.300 nan 0.000 0.497 309 G N -0.628 108.300 108.800 0.213 0.000 2.404 309 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.214 309 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.214 309 G C 1.837 176.802 174.900 0.107 0.000 1.189 309 G CA 0.602 45.796 45.100 0.157 0.000 0.789 309 G HN 0.389 nan 8.290 nan 0.000 0.533 310 A N -0.288 122.595 122.820 0.105 0.000 1.997 310 A HA -0.072 4.247 4.320 -0.002 0.000 0.221 310 A C 2.270 179.886 177.584 0.054 0.000 1.172 310 A CA 2.471 54.556 52.037 0.081 0.000 0.645 310 A CB -0.608 18.448 19.000 0.093 0.000 0.813 310 A HN 0.321 nan 8.150 nan 0.000 0.454 311 T N -0.763 113.812 114.554 0.035 0.000 3.092 311 T HA 0.350 4.699 4.350 -0.002 0.000 0.258 311 T C 0.816 175.487 174.700 -0.049 0.000 1.031 311 T CA 0.423 62.516 62.100 -0.011 0.000 0.925 311 T CB -0.231 68.623 68.868 -0.024 0.000 1.036 311 T HN 0.526 nan 8.240 nan 0.000 0.544 312 G N 1.583 110.373 108.800 -0.016 0.000 2.398 312 G HA2 0.216 4.175 3.960 -0.002 0.000 0.246 312 G HA3 0.216 4.175 3.960 -0.002 0.000 0.246 312 G C -0.120 174.784 174.900 0.006 0.000 1.289 312 G CA -0.375 44.722 45.100 -0.006 0.000 0.869 312 G HN 0.485 nan 8.290 nan 0.000 0.543 313 N N 0.155 118.855 118.700 -0.000 0.000 2.415 313 N HA 0.173 4.912 4.740 -0.002 0.000 0.248 313 N C 0.457 175.981 175.510 0.023 0.000 1.271 313 N CA -0.066 52.989 53.050 0.008 0.000 0.913 313 N CB 0.622 39.112 38.487 0.005 0.000 1.129 313 N HN 0.469 nan 8.380 nan 0.000 0.444 314 S N 1.150 116.854 115.700 0.006 0.000 2.499 314 S HA 0.163 4.632 4.470 -0.002 0.000 0.275 314 S C 0.924 175.516 174.600 -0.013 0.000 1.257 314 S CA -0.687 57.505 58.200 -0.014 0.000 1.050 314 S CB 0.116 63.291 63.200 -0.043 0.000 0.937 314 S HN 0.434 nan 8.310 nan 0.000 0.490 315 L N 4.333 125.556 121.223 0.000 0.000 2.554 315 L HA 0.236 4.575 4.340 -0.002 0.000 0.225 315 L C 2.413 179.273 176.870 -0.018 0.000 1.104 315 L CA 0.500 55.377 54.840 0.061 0.000 0.866 315 L CB -0.475 41.715 42.059 0.218 0.000 1.047 315 L HN 0.807 nan 8.230 nan 0.000 0.468 316 A N -0.166 122.470 122.820 -0.307 0.000 2.072 316 A HA -0.017 4.302 4.320 -0.002 0.000 0.216 316 A C 2.083 179.552 177.584 -0.192 0.000 1.156 316 A CA 0.937 52.669 52.037 -0.509 0.000 0.701 316 A CB -0.046 18.382 19.000 -0.953 0.000 0.816 316 A HN 0.323 nan 8.150 nan 0.000 0.458 317 L N -1.354 119.797 121.223 -0.120 0.000 2.357 317 L HA 0.314 4.653 4.340 -0.002 0.000 0.211 317 L C 1.488 178.341 176.870 -0.028 0.000 1.075 317 L CA 0.891 55.692 54.840 -0.066 0.000 0.830 317 L CB -0.007 42.018 42.059 -0.058 0.000 0.996 317 L HN 0.325 nan 8.230 nan 0.000 0.467 318 G N -1.755 107.033 108.800 -0.019 0.000 2.504 318 G HA2 0.328 4.287 3.960 -0.002 0.000 0.288 318 G HA3 0.328 4.287 3.960 -0.002 0.000 0.288 318 G C -0.961 173.941 174.900 0.004 0.000 1.182 318 G CA -0.363 44.734 45.100 -0.005 0.000 0.894 318 G HN 0.181 nan 8.290 nan 0.000 0.521 319 C N 1.346 120.648 119.300 0.003 0.000 2.184 319 C HA 0.323 4.781 4.460 -0.002 0.000 0.328 319 C C 0.904 175.890 174.990 -0.007 0.000 1.081 319 C CA -0.759 58.264 59.018 0.007 0.000 1.533 319 C CB -0.459 27.284 27.740 0.005 0.000 1.905 319 C HN 0.819 nan 8.230 nan 0.000 0.439 320 D N 0.320 120.725 120.400 0.009 0.000 2.194 320 D HA -0.014 4.624 4.640 -0.002 0.000 0.204 320 D C 0.461 176.734 176.300 -0.044 0.000 0.964 320 D CA 1.029 55.029 54.000 -0.000 0.000 0.846 320 D CB 0.200 41.020 40.800 0.034 0.000 0.962 320 D HN 0.525 nan 8.370 nan 0.000 0.490 321 c N 1.092 119.645 118.600 -0.079 0.000 2.322 321 c HA 0.592 5.161 4.570 -0.002 0.000 0.324 321 c C -0.290 173.594 174.090 -0.345 0.000 1.284 321 c CA -1.221 54.929 56.329 -0.298 0.000 1.606 321 c CB 0.313 42.636 42.510 -0.311 0.000 2.251 321 c HN 0.180 nan 8.230 nan 0.000 0.502 322 L N 4.080 125.030 121.223 -0.454 0.000 2.282 322 L HA 0.861 5.199 4.340 -0.002 0.000 0.288 322 L C 0.559 177.277 176.870 -0.253 0.000 1.033 322 L CA 1.771 56.459 54.840 -0.252 0.000 0.807 322 L CB 0.592 42.561 42.059 -0.151 0.000 1.209 322 L HN 1.116 nan 8.230 nan 0.000 0.423 323 G N 2.944 111.672 108.800 -0.120 0.000 2.297 323 G HA2 -0.041 3.918 3.960 -0.002 0.000 0.209 323 G HA3 -0.041 3.918 3.960 -0.002 0.000 0.209 323 G C -1.422 173.473 174.900 -0.008 0.000 1.267 323 G CA -0.522 44.556 45.100 -0.036 0.000 1.127 323 G HN 0.510 nan 8.290 nan 0.000 0.498 324 V N 2.113 122.059 119.914 0.053 0.000 2.364 324 V HA 0.545 4.664 4.120 -0.002 0.000 0.272 324 V C 0.261 176.418 176.094 0.105 0.000 1.036 324 V CA -0.495 61.847 62.300 0.069 0.000 0.880 324 V CB 0.906 32.775 31.823 0.078 0.000 0.991 324 V HN 0.584 nan 8.190 nan 0.000 0.460 325 I N 4.589 125.169 120.570 0.017 0.000 2.493 325 I HA 0.626 4.795 4.170 -0.002 0.000 0.298 325 I C -0.088 175.917 176.117 -0.187 0.000 0.998 325 I CA -1.171 60.044 61.300 -0.142 0.000 1.137 325 I CB 1.805 39.568 38.000 -0.396 0.000 1.310 325 I HN 0.429 nan 8.210 nan 0.000 0.445 326 K N 4.337 124.636 120.400 -0.168 0.000 2.208 326 K HA 0.676 4.995 4.320 -0.002 0.000 0.247 326 K C -1.358 175.004 176.600 -0.396 0.000 0.953 326 K CA -0.518 55.696 56.287 -0.122 0.000 0.837 326 K CB 1.619 34.217 32.500 0.164 0.000 1.131 326 K HN 0.323 nan 8.250 nan 0.000 0.431 327 Y N 0.669 121.014 120.300 0.075 0.000 2.536 327 Y HA 0.572 5.121 4.550 -0.002 0.000 0.347 327 Y C -0.126 175.808 175.900 0.056 0.000 1.000 327 Y CA -0.990 57.143 58.100 0.055 0.000 1.051 327 Y CB 1.965 40.452 38.460 0.046 0.000 1.259 327 Y HN 0.228 nan 8.280 nan 0.000 0.468 328 M N 1.695 121.442 119.600 0.246 0.000 2.644 328 M HA 0.439 4.918 4.480 -0.002 0.000 0.304 328 M C -1.559 174.859 176.300 0.197 0.000 1.215 328 M CA -0.930 54.492 55.300 0.204 0.000 0.871 328 M CB 2.078 34.809 32.600 0.218 0.000 1.740 328 M HN 0.538 nan 8.290 nan 0.000 0.464 329 D N 0.065 120.570 120.400 0.174 0.000 2.326 329 D HA 0.501 5.140 4.640 -0.002 0.000 0.248 329 D C -1.257 175.129 176.300 0.144 0.000 1.001 329 D CA -0.312 53.769 54.000 0.136 0.000 0.961 329 D CB 2.364 43.225 40.800 0.101 0.000 1.183 329 D HN 0.519 nan 8.370 nan 0.000 0.502 330 C N 0.162 119.533 119.300 0.118 0.000 2.630 330 C HA 0.679 5.138 4.460 -0.002 0.000 0.346 330 C C -0.627 174.409 174.990 0.077 0.000 1.245 330 C CA -0.407 58.678 59.018 0.111 0.000 1.804 330 C CB 1.001 28.813 27.740 0.120 0.000 2.279 330 C HN 0.538 nan 8.230 nan 0.000 0.498 331 R N 1.215 121.753 120.500 0.062 0.000 2.744 331 R HA 0.691 5.030 4.340 -0.002 0.000 0.279 331 R C -1.149 175.167 176.300 0.027 0.000 0.977 331 R CA -0.608 55.512 56.100 0.034 0.000 0.906 331 R CB 2.024 32.332 30.300 0.014 0.000 1.197 331 R HN 0.865 nan 8.270 nan 0.000 0.463 332 R N -0.469 120.041 120.500 0.017 0.000 2.836 332 R HA 0.586 4.924 4.340 -0.002 0.000 0.269 332 R C -0.725 175.571 176.300 -0.007 0.000 1.010 332 R CA -1.007 55.102 56.100 0.015 0.000 0.930 332 R CB 0.949 31.274 30.300 0.042 0.000 1.218 332 R HN 0.294 nan 8.270 nan 0.000 0.473 333 V N 0.022 119.930 119.914 -0.010 0.000 2.834 333 V HA 0.294 4.413 4.120 -0.002 0.000 0.301 333 V C 0.385 176.490 176.094 0.018 0.000 1.066 333 V CA -0.842 61.443 62.300 -0.026 0.000 1.052 333 V CB 0.895 32.708 31.823 -0.015 0.000 1.021 333 V HN 0.980 nan 8.190 nan 0.000 0.480 334 N N 1.182 119.884 118.700 0.004 0.000 2.476 334 N HA 0.203 4.942 4.740 -0.002 0.000 0.287 334 N C 0.997 176.541 175.510 0.057 0.000 1.262 334 N CA -0.023 53.044 53.050 0.029 0.000 0.980 334 N CB 1.216 39.713 38.487 0.017 0.000 1.163 334 N HN 0.757 nan 8.380 nan 0.000 0.592 335 T N -2.975 111.593 114.554 0.024 0.000 2.962 335 T HA -0.139 4.209 4.350 -0.002 0.000 0.270 335 T C 1.347 176.113 174.700 0.109 0.000 1.088 335 T CA 1.070 63.133 62.100 -0.061 0.000 1.127 335 T CB -0.557 68.137 68.868 -0.289 0.000 0.883 335 T HN 0.602 nan 8.240 nan 0.000 0.493 336 N N 1.135 119.902 118.700 0.112 0.000 2.515 336 N HA 0.153 4.892 4.740 -0.002 0.000 0.185 336 N C 1.468 177.034 175.510 0.093 0.000 1.109 336 N CA 0.950 54.084 53.050 0.141 0.000 0.903 336 N CB -0.475 38.050 38.487 0.063 0.000 0.969 336 N HN 0.629 nan 8.380 nan 0.000 0.450 337 G N -0.441 108.319 108.800 -0.067 0.000 2.157 337 G HA2 -0.232 3.726 3.960 -0.002 0.000 0.248 337 G HA3 -0.232 3.726 3.960 -0.002 0.000 0.248 337 G C -0.647 174.039 174.900 -0.358 0.000 0.979 337 G CA 0.219 44.952 45.100 -0.611 0.000 0.650 337 G HN 0.408 nan 8.290 nan 0.000 0.529 338 D N 0.372 120.670 120.400 -0.170 0.000 2.339 338 D HA 0.437 5.076 4.640 -0.002 0.000 0.245 338 D C 0.433 176.671 176.300 -0.103 0.000 1.115 338 D CA 0.312 54.240 54.000 -0.120 0.000 0.917 338 D CB 1.402 42.164 40.800 -0.063 0.000 1.192 338 D HN 0.097 nan 8.370 nan 0.000 0.428 339 S N 0.465 116.114 115.700 -0.085 0.000 2.448 339 S HA 0.255 4.724 4.470 -0.002 0.000 0.279 339 S C -0.470 174.110 174.600 -0.033 0.000 1.195 339 S CA -0.731 57.432 58.200 -0.062 0.000 1.051 339 S CB 0.024 63.189 63.200 -0.058 0.000 0.948 339 S HN 0.183 nan 8.310 nan 0.000 0.493 340 V N 7.196 127.098 119.914 -0.019 0.000 2.350 340 V HA 0.345 4.464 4.120 -0.002 0.000 0.276 340 V C 0.161 176.259 176.094 0.007 0.000 1.028 340 V CA -0.885 61.413 62.300 -0.003 0.000 0.860 340 V CB 1.057 32.883 31.823 0.006 0.000 0.990 340 V HN 0.804 nan 8.190 nan 0.000 0.453 341 L N 7.087 128.314 121.223 0.008 0.000 2.410 341 L HA 0.382 4.721 4.340 -0.002 0.000 0.273 341 L C -0.161 176.723 176.870 0.023 0.000 1.152 341 L CA 0.752 55.602 54.840 0.018 0.000 0.855 341 L CB 0.365 42.432 42.059 0.015 0.000 1.129 341 L HN 0.533 nan 8.230 nan 0.000 0.463 342 I N 7.423 128.014 120.570 0.036 0.000 2.428 342 I HA 0.329 4.498 4.170 -0.002 0.000 0.279 342 I C -2.226 173.917 176.117 0.043 0.000 1.040 342 I CA -1.813 59.509 61.300 0.038 0.000 1.171 342 I CB 1.054 39.084 38.000 0.050 0.000 1.312 342 I HN 0.483 nan 8.210 nan 0.000 0.470 343 P HA 0.149 nan 4.420 nan 0.000 0.279 343 P C -0.376 176.930 177.300 0.011 0.000 1.239 343 P CA -0.088 63.021 63.100 0.015 0.000 0.789 343 P CB 0.511 32.202 31.700 -0.016 0.000 0.933 344 N N 0.170 118.889 118.700 0.032 0.000 2.738 344 N HA -0.131 4.608 4.740 -0.002 0.000 0.249 344 N C 0.836 176.413 175.510 0.112 0.000 1.047 344 N CA 1.339 54.414 53.050 0.042 0.000 0.707 344 N CB -1.848 36.514 38.487 -0.209 0.000 0.937 344 N HN 0.601 nan 8.380 nan 0.000 0.545 345 T N -4.468 110.170 114.554 0.140 0.000 3.014 345 T HA 0.145 4.494 4.350 -0.002 0.000 0.263 345 T C 0.890 175.710 174.700 0.199 0.000 1.078 345 T CA 0.517 62.706 62.100 0.150 0.000 1.135 345 T CB 0.521 69.478 68.868 0.148 0.000 0.895 345 T HN 0.054 nan 8.240 nan 0.000 0.480 346 V N 2.717 122.758 119.914 0.212 0.000 2.384 346 V HA 0.521 4.640 4.120 -0.002 0.000 0.287 346 V C 0.474 176.648 176.094 0.132 0.000 1.020 346 V CA -1.571 60.821 62.300 0.154 0.000 0.850 346 V CB 0.782 32.669 31.823 0.107 0.000 0.987 346 V HN 0.751 nan 8.190 nan 0.000 0.436 347 c N 5.675 124.298 118.600 0.038 0.000 2.435 347 c HA 0.956 5.525 4.570 -0.002 0.000 0.333 347 c C -0.718 173.225 174.090 -0.246 0.000 1.202 347 c CA -0.882 55.373 56.329 -0.124 0.000 1.830 347 c CB 0.423 42.880 42.510 -0.088 0.000 2.326 347 c HN 0.733 nan 8.230 nan 0.000 0.507 348 L N 4.025 125.051 121.223 -0.329 0.000 2.410 348 L HA 0.798 5.137 4.340 -0.002 0.000 0.270 348 L C -0.263 176.310 176.870 -0.495 0.000 0.983 348 L CA -0.062 54.462 54.840 -0.527 0.000 0.822 348 L CB 1.746 43.597 42.059 -0.346 0.000 1.285 348 L HN 1.110 nan 8.230 nan 0.000 0.409 349 H N -0.551 117.961 119.070 -0.931 0.000 3.024 349 H HA 0.550 5.105 4.556 -0.002 0.000 0.324 349 H C -1.656 173.325 175.328 -0.579 0.000 1.347 349 H CA -0.991 54.743 56.048 -0.523 0.000 1.182 349 H CB 1.093 30.692 29.762 -0.273 0.000 1.889 349 H HN 0.482 nan 8.280 nan 0.000 0.528 350 E N 0.881 121.016 120.200 -0.108 0.000 2.283 350 E HA 0.310 4.658 4.350 -0.002 0.000 0.267 350 E C -0.537 176.089 176.600 0.043 0.000 1.045 350 E CA -0.829 55.529 56.400 -0.070 0.000 0.884 350 E CB 1.737 31.574 29.700 0.228 0.000 1.106 350 E HN 0.674 nan 8.360 nan 0.000 0.408 351 Q N 0.437 120.237 119.800 -0.001 0.000 2.648 351 Q HA 0.392 4.730 4.340 -0.002 0.000 0.300 351 Q C -1.724 174.311 176.000 0.059 0.000 0.954 351 Q CA -0.969 54.869 55.803 0.058 0.000 0.757 351 Q CB 1.401 30.161 28.738 0.038 0.000 1.482 351 Q HN 0.366 nan 8.270 nan 0.000 0.437 352 D N -0.846 119.585 120.400 0.051 0.000 2.193 352 D HA 0.471 5.110 4.640 -0.002 0.000 0.244 352 D C -0.014 176.300 176.300 0.024 0.000 1.064 352 D CA -0.354 53.678 54.000 0.054 0.000 0.845 352 D CB 1.422 42.249 40.800 0.046 0.000 1.148 352 D HN 0.711 nan 8.370 nan 0.000 0.464 353 G N 2.439 111.257 108.800 0.030 0.000 3.805 353 G HA2 0.528 4.486 3.960 -0.002 0.000 0.290 353 G HA3 0.528 4.486 3.960 -0.002 0.000 0.290 353 G C 0.751 175.656 174.900 0.009 0.000 1.077 353 G CA 0.082 45.185 45.100 0.005 0.000 0.852 353 G HN 0.937 nan 8.290 nan 0.000 0.531 354 G N 0.064 108.870 108.800 0.011 0.000 2.542 354 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.235 354 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.235 354 G C -0.107 174.798 174.900 0.009 0.000 1.286 354 G CA -0.414 44.690 45.100 0.008 0.000 0.904 354 G HN 0.563 nan 8.290 nan 0.000 0.577 355 L N 0.359 121.584 121.223 0.004 0.000 2.375 355 L HA 0.496 4.835 4.340 -0.002 0.000 0.271 355 L C 1.621 178.497 176.870 0.010 0.000 1.107 355 L CA -0.585 54.249 54.840 -0.011 0.000 0.806 355 L CB 1.353 43.401 42.059 -0.018 0.000 1.146 355 L HN 0.628 nan 8.230 nan 0.000 0.447 356 L N 3.495 124.708 121.223 -0.017 0.000 2.286 356 L HA 0.182 4.521 4.340 -0.002 0.000 0.203 356 L C -0.172 176.789 176.870 0.151 0.000 1.068 356 L CA 0.899 55.775 54.840 0.060 0.000 0.811 356 L CB 0.218 42.311 42.059 0.057 0.000 0.989 356 L HN 0.621 nan 8.230 nan 0.000 0.467 357 Y N -2.273 118.056 120.300 0.048 0.000 2.689 357 Y HA 0.635 5.184 4.550 -0.002 0.000 0.333 357 Y C -0.961 174.972 175.900 0.054 0.000 1.208 357 Y CA -1.685 56.444 58.100 0.050 0.000 1.055 357 Y CB 0.681 39.169 38.460 0.046 0.000 1.304 357 Y HN -0.077 nan 8.280 nan 0.000 0.455 358 K N 1.173 121.755 120.400 0.303 0.000 2.562 358 K HA 0.511 4.830 4.320 -0.002 0.000 0.267 358 K C -2.558 174.234 176.600 0.319 0.000 0.938 358 K CA -0.814 55.606 56.287 0.222 0.000 0.840 358 K CB 2.167 34.717 32.500 0.083 0.000 1.390 358 K HN 1.032 nan 8.250 nan 0.000 0.428 359 H N 0.155 119.327 119.070 0.170 0.000 3.029 359 H HA 0.456 5.011 4.556 -0.002 0.000 0.358 359 H C -1.849 173.529 175.328 0.083 0.000 1.129 359 H CA -0.190 55.925 56.048 0.112 0.000 1.230 359 H CB 2.249 32.067 29.762 0.094 0.000 1.827 359 H HN 0.496 nan 8.280 nan 0.000 0.530 360 T N 4.188 118.342 114.554 -0.667 0.000 2.824 360 T HA 0.193 4.542 4.350 -0.002 0.000 0.282 360 T C -0.308 173.992 174.700 -0.666 0.000 0.993 360 T CA -0.956 60.861 62.100 -0.472 0.000 0.967 360 T CB 0.896 69.648 68.868 -0.193 0.000 0.960 360 T HN 0.594 nan 8.240 nan 0.000 0.441 361 N N 2.258 120.756 118.700 -0.336 0.000 2.431 361 N HA 0.004 4.743 4.740 -0.002 0.000 0.265 361 N C 1.068 176.504 175.510 -0.123 0.000 1.184 361 N CA -0.396 52.541 53.050 -0.189 0.000 0.943 361 N CB 0.409 38.832 38.487 -0.107 0.000 1.080 361 N HN 0.765 nan 8.380 nan 0.000 0.477 362 Y N 3.799 124.068 120.300 -0.051 0.000 2.403 362 Y HA -0.002 4.547 4.550 -0.002 0.000 0.291 362 Y C 1.603 177.492 175.900 -0.017 0.000 1.143 362 Y CA 0.927 59.007 58.100 -0.033 0.000 1.257 362 Y CB -0.252 38.201 38.460 -0.011 0.000 0.984 362 Y HN 0.455 nan 8.280 nan 0.000 0.550 363 R N 0.147 120.533 120.500 -0.190 0.000 2.153 363 R HA 0.008 4.347 4.340 -0.002 0.000 0.218 363 R C 1.631 177.914 176.300 -0.030 0.000 1.072 363 R CA 1.612 57.661 56.100 -0.084 0.000 0.990 363 R CB -0.224 29.949 30.300 -0.212 0.000 0.889 363 R HN 0.627 nan 8.270 nan 0.000 0.452 364 T N -4.519 110.007 114.554 -0.047 0.000 2.958 364 T HA 0.172 4.520 4.350 -0.002 0.000 0.256 364 T C 0.285 174.976 174.700 -0.015 0.000 0.983 364 T CA -0.090 61.994 62.100 -0.027 0.000 0.924 364 T CB 0.127 68.972 68.868 -0.038 0.000 1.136 364 T HN 0.186 nan 8.240 nan 0.000 0.506 365 N N 0.225 118.916 118.700 -0.015 0.000 2.741 365 N HA -0.122 4.617 4.740 -0.002 0.000 0.251 365 N C -0.751 174.744 175.510 -0.025 0.000 1.112 365 N CA 0.514 53.554 53.050 -0.015 0.000 0.750 365 N CB -1.671 36.817 38.487 0.000 0.000 1.119 365 N HN 0.400 nan 8.380 nan 0.000 0.561 366 V N 1.098 120.993 119.914 -0.033 0.000 2.406 366 V HA 0.429 4.548 4.120 -0.002 0.000 0.272 366 V C -1.721 174.355 176.094 -0.030 0.000 1.043 366 V CA -1.047 61.240 62.300 -0.022 0.000 0.915 366 V CB 1.197 33.012 31.823 -0.014 0.000 0.988 366 V HN -0.010 nan 8.190 nan 0.000 0.466 367 P HA 0.538 nan 4.420 nan 0.000 0.290 367 P C -1.006 176.319 177.300 0.041 0.000 1.283 367 P CA -0.553 62.544 63.100 -0.005 0.000 0.869 367 P CB 1.910 33.606 31.700 -0.008 0.000 1.100 368 V N 0.367 120.341 119.914 0.101 0.000 2.667 368 V HA 0.799 4.918 4.120 -0.002 0.000 0.308 368 V C -0.292 175.872 176.094 0.117 0.000 1.048 368 V CA -0.918 61.473 62.300 0.152 0.000 0.928 368 V CB 1.734 33.720 31.823 0.271 0.000 1.004 368 V HN 0.630 nan 8.190 nan 0.000 0.444 369 I N 2.376 122.916 120.570 -0.049 0.000 2.785 369 I HA 0.811 4.980 4.170 -0.002 0.000 0.293 369 I C -0.891 174.976 176.117 -0.418 0.000 1.446 369 I CA -0.477 60.660 61.300 -0.272 0.000 1.028 369 I CB 1.952 39.882 38.000 -0.118 0.000 1.349 369 I HN 1.203 nan 8.210 nan 0.000 0.438 370 A N 6.963 129.383 122.820 -0.668 0.000 2.515 370 A HA 0.763 5.082 4.320 -0.002 0.000 0.298 370 A C -1.111 176.317 177.584 -0.260 0.000 1.059 370 A CA -0.763 51.019 52.037 -0.426 0.000 0.698 370 A CB 1.844 20.543 19.000 -0.502 0.000 1.289 370 A HN 0.741 nan 8.150 nan 0.000 0.404 371 R N 0.468 120.900 120.500 -0.114 0.000 2.531 371 R HA 0.348 4.687 4.340 -0.002 0.000 0.273 371 R C 0.051 176.360 176.300 0.015 0.000 1.070 371 R CA -0.564 55.513 56.100 -0.039 0.000 1.112 371 R CB 0.962 31.259 30.300 -0.005 0.000 1.049 371 R HN 0.688 nan 8.270 nan 0.000 0.508 372 R N 2.578 123.105 120.500 0.045 0.000 3.171 372 R HA 0.067 4.406 4.340 -0.002 0.000 0.241 372 R C -0.361 176.027 176.300 0.148 0.000 1.421 372 R CA -0.514 55.645 56.100 0.097 0.000 1.444 372 R CB 0.035 30.382 30.300 0.079 0.000 1.247 372 R HN 0.303 nan 8.270 nan 0.000 0.636 373 R N 1.896 122.520 120.500 0.206 0.000 2.570 373 R HA 0.008 4.347 4.340 -0.002 0.000 0.277 373 R C -0.806 175.772 176.300 0.464 0.000 1.039 373 R CA 0.769 57.059 56.100 0.317 0.000 1.065 373 R CB 0.523 31.054 30.300 0.386 0.000 0.964 373 R HN 0.514 nan 8.270 nan 0.000 0.428 374 E N 2.821 123.188 120.200 0.279 0.000 2.312 374 E HA 0.318 4.666 4.350 -0.002 0.000 0.267 374 E C -1.483 174.885 176.600 -0.387 0.000 0.894 374 E CA -0.907 55.516 56.400 0.039 0.000 0.773 374 E CB 1.871 31.522 29.700 -0.081 0.000 1.241 374 E HN 0.440 nan 8.360 nan 0.000 0.432 375 F N 2.193 121.555 119.950 -0.981 0.000 2.477 375 F HA 0.434 4.960 4.527 -0.002 0.000 0.335 375 F C -1.383 173.997 175.800 -0.700 0.000 1.130 375 F CA -0.689 56.591 58.000 -1.200 0.000 0.948 375 F CB 0.961 38.786 39.000 -1.957 0.000 1.154 375 F HN 0.153 nan 8.300 nan 0.000 0.439 376 V N 6.552 125.574 119.914 -1.486 0.000 2.459 376 V HA 0.527 4.646 4.120 -0.002 0.000 0.295 376 V C -0.644 174.745 176.094 -1.174 0.000 1.029 376 V CA -0.899 60.750 62.300 -1.084 0.000 0.874 376 V CB 1.510 32.730 31.823 -1.004 0.000 0.985 376 V HN 0.573 nan 8.190 nan 0.000 0.438 377 V N 4.872 124.385 119.914 -0.669 0.000 2.384 377 V HA 0.551 4.670 4.120 -0.002 0.000 0.287 377 V C -0.243 175.636 176.094 -0.358 0.000 1.020 377 V CA -0.369 61.592 62.300 -0.565 0.000 0.850 377 V CB 1.336 32.824 31.823 -0.558 0.000 0.987 377 V HN 0.993 nan 8.190 nan 0.000 0.436 378 Q N 2.796 122.449 119.800 -0.245 0.000 2.397 378 Q HA 0.727 5.066 4.340 -0.002 0.000 0.275 378 Q C -1.099 175.014 176.000 0.189 0.000 1.090 378 Q CA -0.382 55.452 55.803 0.052 0.000 0.809 378 Q CB 2.650 31.410 28.738 0.038 0.000 1.362 378 Q HN 0.740 nan 8.270 nan 0.000 0.431 379 T N 2.859 117.639 114.554 0.377 0.000 2.903 379 T HA 0.653 5.002 4.350 -0.002 0.000 0.299 379 T C -1.433 173.393 174.700 0.210 0.000 1.093 379 T CA -0.512 61.776 62.100 0.314 0.000 1.002 379 T CB 0.912 70.051 68.868 0.451 0.000 1.127 379 T HN 0.542 nan 8.240 nan 0.000 0.488 380 I N 3.172 123.809 120.570 0.112 0.000 2.410 380 I HA 0.609 4.777 4.170 -0.002 0.000 0.286 380 I C 0.166 176.239 176.117 -0.073 0.000 1.009 380 I CA -1.095 60.225 61.300 0.034 0.000 1.111 380 I CB 1.695 39.712 38.000 0.027 0.000 1.262 380 I HN 0.732 nan 8.210 nan 0.000 0.443 381 A N 4.232 126.910 122.820 -0.237 0.000 2.301 381 A HA 0.692 5.011 4.320 -0.002 0.000 0.312 381 A C -0.056 177.398 177.584 -0.217 0.000 1.182 381 A CA -0.323 51.489 52.037 -0.376 0.000 0.826 381 A CB 0.597 18.966 19.000 -1.051 0.000 1.134 381 A HN 0.634 nan 8.150 nan 0.000 0.501 382 T N 2.390 116.859 114.554 -0.142 0.000 2.743 382 T HA 0.446 4.795 4.350 -0.002 0.000 0.292 382 T C -0.404 174.257 174.700 -0.065 0.000 0.972 382 T CA -0.118 61.924 62.100 -0.096 0.000 0.967 382 T CB 0.573 69.409 68.868 -0.054 0.000 0.926 382 T HN 0.387 nan 8.240 nan 0.000 0.459 383 V N 3.756 123.646 119.914 -0.039 0.000 2.266 383 V HA 0.584 4.703 4.120 -0.002 0.000 0.271 383 V C 0.970 177.048 176.094 -0.025 0.000 1.032 383 V CA -0.054 62.248 62.300 0.002 0.000 0.806 383 V CB -0.498 31.396 31.823 0.120 0.000 1.052 383 V HN 1.202 nan 8.190 nan 0.000 0.449 384 A N 5.017 127.831 122.820 -0.010 0.000 5.123 384 A HA -0.282 4.037 4.320 -0.002 0.000 0.337 384 A C 1.036 178.660 177.584 0.067 0.000 1.775 384 A CA 2.004 54.076 52.037 0.059 0.000 0.704 384 A CB -1.724 17.289 19.000 0.021 0.000 1.426 384 A HN 0.971 nan 8.150 nan 0.000 0.391 388 Y N 2.172 122.445 120.300 -0.044 0.000 2.331 388 Y HA 0.464 5.013 4.550 -0.002 0.000 0.334 388 Y C -0.059 175.864 175.900 0.038 0.000 0.960 388 Y CA -0.816 57.309 58.100 0.043 0.000 1.130 388 Y CB 1.767 40.352 38.460 0.209 0.000 1.164 388 Y HN 0.365 nan 8.280 nan 0.000 0.458 389 M N 5.844 125.570 119.600 0.211 0.000 2.088 389 M HA 0.427 4.905 4.480 -0.002 0.000 0.346 389 M C -1.935 174.510 176.300 0.241 0.000 1.111 389 M CA -1.026 54.380 55.300 0.176 0.000 1.017 389 M CB 0.761 33.430 32.600 0.115 0.000 1.568 389 M HN 0.685 nan 8.290 nan 0.000 0.445 390 L N 6.595 127.988 121.223 0.284 0.000 2.305 390 L HA 0.572 4.911 4.340 -0.002 0.000 0.284 390 L C -1.696 175.351 176.870 0.295 0.000 1.013 390 L CA 0.080 55.096 54.840 0.294 0.000 0.819 390 L CB 1.392 43.638 42.059 0.311 0.000 1.227 390 L HN 0.717 nan 8.230 nan 0.000 0.417 391 N N 5.661 124.493 118.700 0.220 0.000 2.258 391 N HA 0.643 5.382 4.740 -0.002 0.000 0.299 391 N C -1.368 174.177 175.510 0.058 0.000 1.047 391 N CA -0.509 52.626 53.050 0.141 0.000 0.814 391 N CB 2.193 40.718 38.487 0.063 0.000 1.413 391 N HN 0.402 nan 8.380 nan 0.000 0.478 392 I N 2.520 123.088 120.570 -0.003 0.000 2.406 392 I HA 0.466 4.635 4.170 -0.002 0.000 0.290 392 I C -0.499 175.365 176.117 -0.421 0.000 0.999 392 I CA -0.379 60.781 61.300 -0.233 0.000 1.124 392 I CB 0.980 38.881 38.000 -0.165 0.000 1.289 392 I HN 0.450 nan 8.210 nan 0.000 0.441 393 I N 6.065 126.291 120.570 -0.572 0.000 2.436 393 I HA 0.410 4.579 4.170 -0.002 0.000 0.289 393 I C -0.859 174.868 176.117 -0.648 0.000 1.010 393 I CA -0.454 60.551 61.300 -0.491 0.000 1.098 393 I CB 1.761 39.546 38.000 -0.359 0.000 1.266 393 I HN 0.249 nan 8.210 nan 0.000 0.434 394 F N 3.949 123.643 119.950 -0.427 0.000 2.492 394 F HA 0.500 5.026 4.527 -0.002 0.000 0.327 394 F C 0.127 175.910 175.800 -0.028 0.000 1.079 394 F CA -0.527 57.194 58.000 -0.466 0.000 0.967 394 F CB 1.467 39.883 39.000 -0.973 0.000 1.169 394 F HN 0.473 nan 8.300 nan 0.000 0.472 395 D N -0.368 120.288 120.400 0.427 0.000 2.614 395 D HA 0.235 4.874 4.640 -0.002 0.000 0.264 395 D C -0.209 176.483 176.300 0.653 0.000 1.092 395 D CA -0.702 53.646 54.000 0.579 0.000 1.071 395 D CB 0.885 41.864 40.800 0.298 0.000 1.443 395 D HN 0.520 nan 8.370 nan 0.000 0.528 396 Q N -0.622 119.443 119.800 0.441 0.000 2.488 396 Q HA 0.179 4.517 4.340 -0.002 0.000 0.211 396 Q C 1.057 177.218 176.000 0.269 0.000 0.967 396 Q CA 1.041 57.021 55.803 0.295 0.000 0.926 396 Q CB 0.059 28.894 28.738 0.162 0.000 0.992 396 Q HN 0.549 nan 8.270 nan 0.000 0.506 397 A N -0.192 122.750 122.820 0.205 0.000 2.379 397 A HA 0.452 4.770 4.320 -0.002 0.000 0.236 397 A C 1.323 178.960 177.584 0.088 0.000 1.272 397 A CA 0.422 52.552 52.037 0.155 0.000 0.886 397 A CB -0.147 18.938 19.000 0.142 0.000 0.962 397 A HN 0.363 nan 8.150 nan 0.000 0.504 398 G N -0.341 108.332 108.800 -0.211 0.000 2.159 398 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.256 398 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.256 398 G C 0.018 175.094 174.900 0.293 0.000 0.977 398 G CA 0.410 45.234 45.100 -0.460 0.000 0.652 398 G HN 0.797 nan 8.290 nan 0.000 0.531 399 E N 0.073 120.452 120.200 0.297 0.000 2.283 399 E HA 0.577 4.926 4.350 -0.002 0.000 0.278 399 E C 0.260 176.930 176.600 0.118 0.000 1.027 399 E CA -0.809 55.723 56.400 0.220 0.000 0.843 399 E CB 0.409 30.172 29.700 0.105 0.000 1.062 399 E HN 0.336 nan 8.360 nan 0.000 0.401 400 I N 4.869 125.428 120.570 -0.019 0.000 2.355 400 I HA 0.352 4.520 4.170 -0.002 0.000 0.288 400 I C -0.051 175.855 176.117 -0.351 0.000 0.999 400 I CA -0.601 60.432 61.300 -0.444 0.000 1.163 400 I CB 1.338 39.046 38.000 -0.486 0.000 1.316 400 I HN 0.383 nan 8.210 nan 0.000 0.454 401 R N 6.400 126.654 120.500 -0.410 0.000 2.338 401 R HA 0.615 4.954 4.340 -0.002 0.000 0.317 401 R C -0.840 175.264 176.300 -0.328 0.000 0.968 401 R CA -0.720 55.209 56.100 -0.285 0.000 0.849 401 R CB 1.922 32.109 30.300 -0.189 0.000 1.128 401 R HN 0.539 nan 8.270 nan 0.000 0.448 402 I N 2.870 123.254 120.570 -0.311 0.000 2.304 402 I HA 0.156 4.325 4.170 -0.002 0.000 0.291 402 I C -0.272 175.712 176.117 -0.221 0.000 1.018 402 I CA -0.284 60.798 61.300 -0.363 0.000 1.260 402 I CB 0.672 38.249 38.000 -0.705 0.000 1.390 402 I HN 0.533 nan 8.210 nan 0.000 0.475 403 H N 5.582 124.528 119.070 -0.207 0.000 2.823 403 H HA 0.625 5.180 4.556 -0.002 0.000 0.332 403 H C -1.582 173.731 175.328 -0.026 0.000 0.980 403 H CA -0.534 55.442 56.048 -0.119 0.000 1.286 403 H CB 1.332 31.021 29.762 -0.122 0.000 1.541 403 H HN 0.283 nan 8.280 nan 0.000 0.521 404 V N 6.403 126.165 119.914 -0.252 0.000 2.495 404 V HA 0.490 4.609 4.120 -0.002 0.000 0.298 404 V C -0.149 175.844 176.094 -0.168 0.000 1.031 404 V CA -0.748 61.521 62.300 -0.052 0.000 0.871 404 V CB 1.621 33.519 31.823 0.125 0.000 0.988 404 V HN 0.777 nan 8.190 nan 0.000 0.432 405 R N 2.840 123.325 120.500 -0.025 0.000 2.437 405 R HA 0.748 5.087 4.340 -0.002 0.000 0.310 405 R C -0.429 175.893 176.300 0.037 0.000 0.955 405 R CA -0.450 55.623 56.100 -0.044 0.000 0.851 405 R CB 2.026 32.314 30.300 -0.020 0.000 1.161 405 R HN 0.817 nan 8.270 nan 0.000 0.446 406 A N 2.338 125.165 122.820 0.012 0.000 2.289 406 A HA 0.503 4.822 4.320 -0.002 0.000 0.298 406 A C 0.086 177.625 177.584 -0.075 0.000 1.208 406 A CA -0.100 51.928 52.037 -0.014 0.000 0.845 406 A CB 1.272 20.294 19.000 0.036 0.000 1.125 406 A HN 0.702 nan 8.150 nan 0.000 0.517 407 T N 1.031 115.501 114.554 -0.141 0.000 2.565 407 T HA 0.752 5.100 4.350 -0.002 0.000 0.253 407 T C 0.711 175.309 174.700 -0.169 0.000 0.868 407 T CA 1.186 63.215 62.100 -0.118 0.000 1.213 407 T CB 0.304 69.115 68.868 -0.095 0.000 1.518 407 T HN 2.623 nan 8.240 nan 0.000 0.474 408 G N 0.542 109.236 108.800 -0.177 0.000 2.512 408 G HA2 -0.102 3.857 3.960 -0.002 0.000 0.240 408 G HA3 -0.102 3.857 3.960 -0.002 0.000 0.240 408 G C -0.694 174.076 174.900 -0.216 0.000 1.246 408 G CA -0.041 44.924 45.100 -0.225 0.000 0.919 408 G HN 0.949 nan 8.290 nan 0.000 0.577 409 I N 0.805 121.221 120.570 -0.256 0.000 2.569 409 I HA 0.442 4.611 4.170 -0.002 0.000 0.296 409 I C 0.655 176.677 176.117 -0.158 0.000 1.028 409 I CA -0.874 60.275 61.300 -0.252 0.000 1.082 409 I CB 1.762 39.478 38.000 -0.473 0.000 1.264 409 I HN 0.478 nan 8.210 nan 0.000 0.429 410 L N 3.476 124.736 121.223 0.062 0.000 2.485 410 L HA 0.073 4.412 4.340 -0.002 0.000 0.275 410 L C 0.846 177.693 176.870 -0.040 0.000 1.207 410 L CA 0.324 55.227 54.840 0.106 0.000 0.855 410 L CB 0.614 42.795 42.059 0.203 0.000 1.114 410 L HN 0.605 nan 8.230 nan 0.000 0.485 411 S N 1.446 117.131 115.700 -0.025 0.000 2.510 411 S HA 0.276 4.745 4.470 -0.002 0.000 0.279 411 S C -0.028 174.518 174.600 -0.089 0.000 1.284 411 S CA -0.688 57.477 58.200 -0.059 0.000 1.059 411 S CB 0.089 63.231 63.200 -0.095 0.000 0.901 411 S HN 0.685 nan 8.310 nan 0.000 0.491 412 T N 2.991 117.542 114.554 -0.005 0.000 2.908 412 T HA 0.766 5.115 4.350 -0.002 0.000 0.290 412 T C -0.580 174.078 174.700 -0.070 0.000 1.034 412 T CA -1.009 61.081 62.100 -0.017 0.000 1.010 412 T CB 1.261 70.188 68.868 0.098 0.000 1.068 412 T HN 0.476 nan 8.240 nan 0.000 0.481 413 M N 2.382 121.878 119.600 -0.173 0.000 2.664 413 M HA 0.561 5.039 4.480 -0.002 0.000 0.314 413 M C -2.525 173.750 176.300 -0.041 0.000 1.200 413 M CA -2.606 52.536 55.300 -0.262 0.000 0.916 413 M CB 1.835 34.078 32.600 -0.596 0.000 1.717 413 M HN 0.440 nan 8.290 nan 0.000 0.470 414 P HA 0.279 nan 4.420 nan 0.000 0.269 414 P C -1.397 175.968 177.300 0.109 0.000 1.215 414 P CA -0.300 62.890 63.100 0.151 0.000 0.780 414 P CB 0.690 32.533 31.700 0.238 0.000 0.898 415 L N 2.366 123.652 121.223 0.106 0.000 2.470 415 L HA 0.465 4.804 4.340 -0.002 0.000 0.268 415 L C -0.945 175.940 176.870 0.025 0.000 0.964 415 L CA -0.445 54.421 54.840 0.044 0.000 0.839 415 L CB 1.613 43.670 42.059 -0.002 0.000 1.276 415 L HN 0.136 nan 8.230 nan 0.000 0.403 416 D N 2.722 123.118 120.400 -0.008 0.000 2.383 416 D HA 0.234 4.873 4.640 -0.002 0.000 0.248 416 D C -0.302 175.958 176.300 -0.066 0.000 1.170 416 D CA -0.334 53.627 54.000 -0.065 0.000 0.977 416 D CB 0.851 41.612 40.800 -0.065 0.000 1.120 416 D HN 0.327 nan 8.370 nan 0.000 0.481 417 K N 1.011 121.356 120.400 -0.092 0.000 2.524 417 K HA -0.039 4.280 4.320 -0.002 0.000 0.279 417 K C -0.275 176.288 176.600 -0.062 0.000 0.993 417 K CA 0.544 56.785 56.287 -0.077 0.000 1.030 417 K CB 0.047 32.492 32.500 -0.091 0.000 0.891 417 K HN 0.300 nan 8.250 nan 0.000 0.488 418 D N 0.310 120.678 120.400 -0.053 0.000 2.870 418 D HA -0.165 4.474 4.640 -0.002 0.000 0.228 418 D C -1.021 175.247 176.300 -0.053 0.000 1.147 418 D CA 0.656 54.627 54.000 -0.049 0.000 0.757 418 D CB -1.235 39.538 40.800 -0.046 0.000 1.091 418 D HN 0.094 nan 8.370 nan 0.000 0.429 419 V N 0.387 120.266 119.914 -0.059 0.000 2.555 419 V HA 0.664 4.783 4.120 -0.002 0.000 0.302 419 V C 0.795 176.832 176.094 -0.095 0.000 1.038 419 V CA -0.162 62.096 62.300 -0.070 0.000 0.887 419 V CB 2.242 34.032 31.823 -0.056 0.000 0.991 419 V HN 0.299 nan 8.190 nan 0.000 0.434 420 T N 1.576 116.056 114.554 -0.124 0.000 2.930 420 T HA 0.856 5.205 4.350 -0.002 0.000 0.290 420 T C -0.954 173.575 174.700 -0.286 0.000 1.052 420 T CA -0.837 61.156 62.100 -0.179 0.000 1.017 420 T CB 2.053 70.829 68.868 -0.153 0.000 1.137 420 T HN 0.388 nan 8.240 nan 0.000 0.511 421 V N 2.300 121.954 119.914 -0.433 0.000 2.841 421 V HA 0.539 4.658 4.120 -0.002 0.000 0.310 421 V C -1.847 173.711 176.094 -0.893 0.000 1.090 421 V CA -1.984 59.821 62.300 -0.825 0.000 0.930 421 V CB 2.822 34.106 31.823 -0.898 0.000 1.014 421 V HN 0.919 nan 8.190 nan 0.000 0.425 422 P HA 0.066 nan 4.420 nan 0.000 0.255 422 P C 0.304 177.286 177.300 -0.530 0.000 1.248 422 P CA 0.331 63.112 63.100 -0.531 0.000 0.807 422 P CB -0.020 31.529 31.700 -0.252 0.000 1.150 423 W N -0.559 120.455 121.300 -0.478 0.000 3.067 423 W HA 0.728 5.387 4.660 -0.002 0.000 0.417 423 W C -0.046 175.700 176.519 -1.289 0.000 1.029 423 W CA -0.731 56.121 57.345 -0.822 0.000 1.992 423 W CB -0.117 29.159 29.460 -0.307 0.000 1.122 423 W HN -0.086 nan 8.180 nan 0.000 0.681 424 G N -0.153 107.896 108.800 -1.250 0.000 2.673 424 G HA2 0.503 4.462 3.960 -0.002 0.000 0.292 424 G HA3 0.503 4.462 3.960 -0.002 0.000 0.292 424 G C -1.361 173.342 174.900 -0.329 0.000 1.450 424 G CA -0.802 43.919 45.100 -0.632 0.000 0.837 424 G HN -0.153 nan 8.290 nan 0.000 0.505 425 T N 1.129 115.652 114.554 -0.052 0.000 2.797 425 T HA 0.378 4.727 4.350 -0.002 0.000 0.279 425 T C 0.215 174.873 174.700 -0.070 0.000 0.991 425 T CA -0.521 61.579 62.100 -0.000 0.000 0.979 425 T CB 0.880 69.806 68.868 0.096 0.000 0.943 425 T HN 0.513 nan 8.240 nan 0.000 0.444 426 N N 1.415 120.068 118.700 -0.078 0.000 2.497 426 N HA 0.278 5.017 4.740 -0.002 0.000 0.268 426 N C 1.039 176.500 175.510 -0.082 0.000 1.171 426 N CA -0.471 52.524 53.050 -0.091 0.000 0.948 426 N CB 0.989 39.433 38.487 -0.072 0.000 1.069 426 N HN 0.484 nan 8.380 nan 0.000 0.460 427 V N -1.148 118.669 119.914 -0.161 0.000 3.432 427 V HA 0.535 4.654 4.120 -0.002 0.000 0.298 427 V C 0.638 176.670 176.094 -0.105 0.000 1.464 427 V CA -0.040 62.157 62.300 -0.172 0.000 1.046 427 V CB 0.200 31.801 31.823 -0.369 0.000 0.887 427 V HN 0.634 nan 8.190 nan 0.000 0.441 428 G N -0.217 108.531 108.800 -0.086 0.000 2.682 428 G HA2 0.597 4.556 3.960 -0.002 0.000 0.290 428 G HA3 0.597 4.556 3.960 -0.002 0.000 0.290 428 G C -2.642 172.284 174.900 0.043 0.000 1.425 428 G CA -0.518 44.624 45.100 0.069 0.000 0.807 428 G HN -0.060 nan 8.290 nan 0.000 0.482 429 P HA 0.014 nan 4.420 nan 0.000 0.218 429 P C 0.901 178.216 177.300 0.024 0.000 1.149 429 P CA 0.849 63.971 63.100 0.037 0.000 0.817 429 P CB 0.326 32.050 31.700 0.038 0.000 0.785 430 R N -0.705 119.828 120.500 0.055 0.000 2.776 430 R HA 0.423 4.762 4.340 -0.002 0.000 0.391 430 R C -0.843 175.513 176.300 0.094 0.000 1.116 430 R CA -0.241 55.904 56.100 0.074 0.000 1.056 430 R CB 0.891 31.263 30.300 0.121 0.000 1.369 430 R HN 0.056 nan 8.270 nan 0.000 0.590 431 V N 0.633 120.557 119.914 0.017 0.000 2.817 431 V HA 0.554 4.673 4.120 -0.002 0.000 0.303 431 V C -1.343 174.665 176.094 -0.142 0.000 1.151 431 V CA -0.781 61.498 62.300 -0.036 0.000 0.929 431 V CB 2.461 34.253 31.823 -0.052 0.000 1.030 431 V HN 0.182 nan 8.190 nan 0.000 0.427 432 M N 6.120 125.638 119.600 -0.137 0.000 2.535 432 M HA 0.867 5.346 4.480 -0.002 0.000 0.314 432 M C -0.872 175.319 176.300 -0.181 0.000 1.153 432 M CA -0.426 54.780 55.300 -0.158 0.000 0.924 432 M CB 1.911 34.437 32.600 -0.122 0.000 1.710 432 M HN 0.970 nan 8.290 nan 0.000 0.451 433 A N 3.648 126.376 122.820 -0.152 0.000 2.285 433 A HA 0.770 5.089 4.320 -0.002 0.000 0.310 433 A C -0.221 177.367 177.584 0.007 0.000 1.266 433 A CA -0.544 51.441 52.037 -0.085 0.000 0.832 433 A CB 0.324 19.282 19.000 -0.071 0.000 1.163 433 A HN 1.026 nan 8.150 nan 0.000 0.499 434 A N 2.423 125.267 122.820 0.040 0.000 2.445 434 A HA 0.503 4.822 4.320 -0.002 0.000 0.242 434 A C -0.087 177.692 177.584 0.325 0.000 1.075 434 A CA -0.158 51.963 52.037 0.140 0.000 0.777 434 A CB -0.062 19.026 19.000 0.146 0.000 1.013 434 A HN 0.756 nan 8.150 nan 0.000 0.493 435 Y N 2.562 122.919 120.300 0.094 0.000 2.597 435 Y HA 0.233 4.782 4.550 -0.002 0.000 0.336 435 Y C 1.298 177.131 175.900 -0.111 0.000 1.216 435 Y CA 0.217 58.284 58.100 -0.054 0.000 1.463 435 Y CB 0.479 38.930 38.460 -0.014 0.000 1.303 435 Y HN 0.883 nan 8.280 nan 0.000 0.576 436 H N 0.098 119.012 119.070 -0.260 0.000 2.960 436 H HA 0.463 5.018 4.556 -0.002 0.000 0.323 436 H C -1.855 173.203 175.328 -0.449 0.000 1.326 436 H CA -1.340 54.366 56.048 -0.570 0.000 1.124 436 H CB 1.492 30.429 29.762 -1.374 0.000 1.853 436 H HN 0.625 nan 8.280 nan 0.000 0.536 437 Q N 0.426 119.985 119.800 -0.401 0.000 2.394 437 Q HA 0.350 4.689 4.340 -0.002 0.000 0.273 437 Q C -0.989 174.814 176.000 -0.329 0.000 1.089 437 Q CA -0.904 54.685 55.803 -0.356 0.000 0.812 437 Q CB 2.850 31.455 28.738 -0.222 0.000 1.353 437 Q HN 0.546 nan 8.270 nan 0.000 0.438 438 H N 2.359 121.320 119.070 -0.181 0.000 2.595 438 H HA 0.347 4.902 4.556 -0.002 0.000 0.313 438 H C -0.679 174.639 175.328 -0.017 0.000 1.023 438 H CA -0.519 55.511 56.048 -0.029 0.000 1.218 438 H CB 0.831 30.673 29.762 0.134 0.000 1.403 438 H HN 0.327 nan 8.280 nan 0.000 0.477 439 M N 4.757 124.390 119.600 0.054 0.000 2.044 439 M HA 0.238 4.717 4.480 -0.002 0.000 0.333 439 M C -0.664 175.770 176.300 0.224 0.000 1.004 439 M CA -0.898 54.458 55.300 0.094 0.000 0.954 439 M CB 1.068 33.627 32.600 -0.069 0.000 1.468 439 M HN 0.325 nan 8.290 nan 0.000 0.414 440 L N 1.630 122.948 121.223 0.159 0.000 2.334 440 L HA 0.562 4.901 4.340 -0.002 0.000 0.275 440 L C 0.538 177.344 176.870 -0.106 0.000 1.036 440 L CA -0.054 54.733 54.840 -0.088 0.000 0.807 440 L CB 1.786 43.729 42.059 -0.194 0.000 1.231 440 L HN 0.689 nan 8.230 nan 0.000 0.438 441 S N 2.138 117.529 115.700 -0.515 0.000 2.498 441 S HA 0.641 5.110 4.470 -0.002 0.000 0.317 441 S C -0.970 173.308 174.600 -0.537 0.000 1.090 441 S CA -0.455 57.475 58.200 -0.450 0.000 1.089 441 S CB 0.120 62.805 63.200 -0.858 0.000 0.997 441 S HN 0.286 nan 8.310 nan 0.000 0.470 442 F N 4.000 123.919 119.950 -0.051 0.000 2.405 442 F HA 0.463 4.989 4.527 -0.002 0.000 0.355 442 F C 0.909 176.646 175.800 -0.104 0.000 1.121 442 F CA -0.652 57.297 58.000 -0.087 0.000 1.112 442 F CB 1.039 39.998 39.000 -0.068 0.000 1.126 442 F HN 0.418 nan 8.300 nan 0.000 0.481 443 R N 5.425 125.877 120.500 -0.079 0.000 2.196 443 R HA 0.535 4.874 4.340 -0.002 0.000 0.340 443 R C -1.240 174.888 176.300 -0.286 0.000 1.043 443 R CA -0.300 55.572 56.100 -0.381 0.000 0.883 443 R CB 0.292 30.213 30.300 -0.632 0.000 1.078 443 R HN 0.704 nan 8.270 nan 0.000 0.462 444 I N 3.991 124.389 120.570 -0.287 0.000 2.390 444 I HA 0.124 4.293 4.170 -0.002 0.000 0.283 444 I C -0.596 175.428 176.117 -0.155 0.000 1.016 444 I CA -0.682 60.525 61.300 -0.155 0.000 1.151 444 I CB 1.639 39.600 38.000 -0.065 0.000 1.293 444 I HN 0.467 nan 8.210 nan 0.000 0.458 445 D N 9.681 130.020 120.400 -0.101 0.000 2.441 445 D HA 0.274 4.912 4.640 -0.002 0.000 0.221 445 D C -2.401 173.942 176.300 0.070 0.000 1.156 445 D CA -2.041 51.962 54.000 0.005 0.000 0.896 445 D CB 1.132 41.997 40.800 0.108 0.000 1.028 445 D HN 0.147 nan 8.370 nan 0.000 0.509 446 P HA 0.354 nan 4.420 nan 0.000 0.279 446 P C -1.090 176.263 177.300 0.088 0.000 1.252 446 P CA -0.764 62.368 63.100 0.052 0.000 0.811 446 P CB 1.594 33.322 31.700 0.047 0.000 1.035 447 A N 2.102 124.951 122.820 0.048 0.000 3.453 447 A HA 0.328 4.647 4.320 -0.002 0.000 0.262 447 A C -0.465 177.068 177.584 -0.086 0.000 1.026 447 A CA -0.441 51.588 52.037 -0.014 0.000 0.938 447 A CB -0.155 18.860 19.000 0.025 0.000 1.246 447 A HN 0.242 nan 8.150 nan 0.000 0.546 448 V N 1.934 121.850 119.914 0.002 0.000 2.403 448 V HA 0.148 4.267 4.120 -0.002 0.000 0.265 448 V C 0.939 177.111 176.094 0.129 0.000 1.034 448 V CA 0.866 63.239 62.300 0.122 0.000 1.036 448 V CB 0.024 31.973 31.823 0.211 0.000 1.032 448 V HN 0.859 nan 8.190 nan 0.000 0.478 449 D N 3.604 124.101 120.400 0.161 0.000 3.012 449 D HA -0.131 4.508 4.640 -0.002 0.000 0.222 449 D C 0.413 176.633 176.300 -0.134 0.000 1.167 449 D CA 1.935 55.915 54.000 -0.033 0.000 0.854 449 D CB -1.000 39.682 40.800 -0.197 0.000 1.107 449 D HN 1.274 nan 8.370 nan 0.000 0.421 450 G N -2.225 106.425 108.800 -0.251 0.000 2.357 450 G HA2 0.064 4.023 3.960 -0.002 0.000 0.289 450 G HA3 0.064 4.023 3.960 -0.002 0.000 0.289 450 G C -0.251 174.382 174.900 -0.445 0.000 1.302 450 G CA -0.320 44.536 45.100 -0.407 0.000 0.936 450 G HN 0.087 nan 8.290 nan 0.000 0.513 451 Y N 0.702 121.018 120.300 0.027 0.000 2.485 451 Y HA 0.412 4.960 4.550 -0.002 0.000 0.260 451 Y C 0.983 176.883 175.900 -0.001 0.000 1.173 451 Y CA 0.107 58.206 58.100 -0.001 0.000 1.252 451 Y CB 0.896 39.338 38.460 -0.029 0.000 1.123 451 Y HN 0.331 nan 8.280 nan 0.000 0.524 452 E N 1.208 121.467 120.200 0.098 0.000 2.145 452 E HA 0.281 4.630 4.350 -0.002 0.000 0.262 452 E C -0.915 175.722 176.600 0.061 0.000 0.883 452 E CA -0.549 55.897 56.400 0.078 0.000 0.748 452 E CB 0.894 30.632 29.700 0.063 0.000 1.140 452 E HN 0.174 nan 8.360 nan 0.000 0.417 453 N N 0.973 119.716 118.700 0.072 0.000 2.469 453 N HA 0.535 5.274 4.740 -0.002 0.000 0.286 453 N C -1.134 174.425 175.510 0.080 0.000 1.275 453 N CA -0.578 52.518 53.050 0.076 0.000 0.790 453 N CB 2.225 40.763 38.487 0.085 0.000 1.446 453 N HN 0.162 nan 8.380 nan 0.000 0.501 454 T N -0.155 114.450 114.554 0.085 0.000 2.916 454 T HA 0.404 4.753 4.350 -0.002 0.000 0.298 454 T C -0.513 174.247 174.700 0.100 0.000 1.031 454 T CA -0.469 61.681 62.100 0.084 0.000 0.993 454 T CB 1.632 70.539 68.868 0.066 0.000 1.045 454 T HN 0.072 nan 8.240 nan 0.000 0.454 455 V N 3.408 123.389 119.914 0.112 0.000 2.546 455 V HA 0.662 4.781 4.120 -0.002 0.000 0.284 455 V C -0.000 176.174 176.094 0.134 0.000 1.050 455 V CA -0.280 62.103 62.300 0.138 0.000 0.981 455 V CB 1.452 33.368 31.823 0.155 0.000 0.990 455 V HN 0.701 nan 8.190 nan 0.000 0.474 456 V N 4.339 124.347 119.914 0.157 0.000 3.159 456 V HA 0.694 4.813 4.120 -0.002 0.000 0.308 456 V C -1.188 175.048 176.094 0.238 0.000 1.190 456 V CA -0.718 61.635 62.300 0.088 0.000 1.037 456 V CB 2.332 34.172 31.823 0.027 0.000 1.060 456 V HN 0.821 nan 8.190 nan 0.000 0.437 457 F N -0.341 119.657 119.950 0.080 0.000 2.591 457 F HA 0.821 5.347 4.527 -0.002 0.000 0.309 457 F C -1.023 174.788 175.800 0.018 0.000 1.098 457 F CA -0.930 57.120 58.000 0.083 0.000 0.937 457 F CB 1.472 40.588 39.000 0.194 0.000 1.250 457 F HN 0.283 nan 8.300 nan 0.000 0.447 458 D N 2.227 122.692 120.400 0.108 0.000 2.192 458 D HA 0.347 4.986 4.640 -0.002 0.000 0.246 458 D C -1.070 175.270 176.300 0.067 0.000 1.042 458 D CA -0.162 53.851 54.000 0.020 0.000 0.847 458 D CB 2.061 42.832 40.800 -0.048 0.000 1.186 458 D HN 0.531 nan 8.370 nan 0.000 0.461 459 D N 0.332 120.775 120.400 0.071 0.000 2.269 459 D HA 0.379 5.018 4.640 -0.002 0.000 0.244 459 D C -0.391 175.942 176.300 0.056 0.000 0.992 459 D CA -0.542 53.500 54.000 0.069 0.000 0.894 459 D CB 2.616 43.476 40.800 0.099 0.000 1.248 459 D HN -0.031 nan 8.370 nan 0.000 0.468 460 V N 2.438 122.378 119.914 0.043 0.000 2.370 460 V HA 0.475 4.593 4.120 -0.002 0.000 0.283 460 V C 0.034 176.155 176.094 0.045 0.000 1.023 460 V CA -0.566 61.773 62.300 0.065 0.000 0.857 460 V CB 1.237 33.078 31.823 0.029 0.000 0.985 460 V HN 0.381 nan 8.190 nan 0.000 0.443 461 I N 4.053 124.682 120.570 0.098 0.000 2.647 461 I HA 0.504 4.673 4.170 -0.002 0.000 0.295 461 I C 0.338 176.533 176.117 0.132 0.000 1.078 461 I CA -0.495 60.855 61.300 0.084 0.000 1.048 461 I CB 2.240 40.287 38.000 0.078 0.000 1.239 461 I HN 0.517 nan 8.210 nan 0.000 0.421 462 R N 5.080 125.640 120.500 0.100 0.000 2.734 462 R HA 0.366 4.704 4.340 -0.002 0.000 0.266 462 R C -0.526 175.846 176.300 0.120 0.000 1.044 462 R CA -0.174 56.006 56.100 0.133 0.000 1.128 462 R CB 0.341 30.690 30.300 0.082 0.000 1.010 462 R HN 0.511 nan 8.270 nan 0.000 0.461 463 M N 1.131 120.806 119.600 0.125 0.000 2.247 463 M HA 0.081 4.560 4.480 -0.002 0.000 0.326 463 M C 0.607 176.942 176.300 0.059 0.000 1.134 463 M CA 0.011 55.359 55.300 0.080 0.000 1.136 463 M CB 0.730 33.371 32.600 0.069 0.000 1.454 463 M HN 0.469 nan 8.290 nan 0.000 0.467 464 E N 2.830 123.055 120.200 0.041 0.000 2.465 464 E HA -0.035 4.314 4.350 -0.002 0.000 0.260 464 E C -0.518 176.097 176.600 0.025 0.000 0.980 464 E CA 0.056 56.473 56.400 0.029 0.000 0.927 464 E CB 0.638 30.350 29.700 0.019 0.000 0.934 464 E HN 0.450 nan 8.360 nan 0.000 0.459 465 K N 3.280 123.693 120.400 0.022 0.000 2.180 465 K HA 0.046 4.365 4.320 -0.002 0.000 0.251 465 K C -0.252 176.345 176.600 -0.005 0.000 1.014 465 K CA 0.076 56.371 56.287 0.014 0.000 0.913 465 K CB 0.222 32.732 32.500 0.016 0.000 1.008 465 K HN 0.647 nan 8.250 nan 0.000 0.490 466 N N -0.181 118.505 118.700 -0.024 0.000 2.727 466 N HA -0.214 4.525 4.740 -0.002 0.000 0.251 466 N C -1.086 174.398 175.510 -0.043 0.000 1.040 466 N CA 0.876 53.898 53.050 -0.047 0.000 0.712 466 N CB -1.286 37.180 38.487 -0.035 0.000 0.912 466 N HN 0.898 nan 8.380 nan 0.000 0.545 467 T N -3.751 110.777 114.554 -0.043 0.000 2.927 467 T HA 0.541 4.890 4.350 -0.002 0.000 0.286 467 T C 1.112 175.783 174.700 -0.048 0.000 1.040 467 T CA -0.891 61.189 62.100 -0.034 0.000 1.010 467 T CB 1.784 70.643 68.868 -0.016 0.000 1.177 467 T HN -0.081 nan 8.240 nan 0.000 0.546 468 K N 0.004 120.382 120.400 -0.036 0.000 2.097 468 K HA 0.086 4.405 4.320 -0.002 0.000 0.206 468 K C 1.888 178.473 176.600 -0.025 0.000 1.049 468 K CA 0.718 56.984 56.287 -0.036 0.000 0.933 468 K CB -0.778 31.709 32.500 -0.022 0.000 0.717 468 K HN 0.361 nan 8.250 nan 0.000 0.442 469 L N 1.174 122.388 121.223 -0.014 0.000 2.056 469 L HA -0.062 4.277 4.340 -0.002 0.000 0.207 469 L C 0.325 177.198 176.870 0.004 0.000 1.078 469 L CA 1.783 56.622 54.840 -0.003 0.000 0.749 469 L CB -0.279 41.779 42.059 -0.000 0.000 0.901 469 L HN 0.340 nan 8.230 nan 0.000 0.433 470 N N -0.453 118.244 118.700 -0.005 0.000 2.757 470 N HA 0.204 4.942 4.740 -0.002 0.000 0.296 470 N C -2.086 173.401 175.510 -0.039 0.000 1.874 470 N CA -1.048 52.007 53.050 0.008 0.000 0.885 470 N CB 0.817 39.317 38.487 0.020 0.000 1.242 470 N HN 0.136 nan 8.380 nan 0.000 0.488 471 P HA -0.048 nan 4.420 nan 0.000 0.236 471 P C 0.146 177.186 177.300 -0.433 0.000 1.177 471 P CA 0.767 63.684 63.100 -0.305 0.000 0.773 471 P CB -0.047 31.382 31.700 -0.452 0.000 0.878 472 Y N -0.264 120.045 120.300 0.014 0.000 2.485 472 Y HA 0.201 4.750 4.550 -0.002 0.000 0.260 472 Y C 0.560 176.475 175.900 0.025 0.000 1.173 472 Y CA -0.351 57.760 58.100 0.017 0.000 1.252 472 Y CB -0.531 37.938 38.460 0.015 0.000 1.123 472 Y HN -0.113 nan 8.280 nan 0.000 0.524 473 N N -0.449 118.312 118.700 0.103 0.000 2.735 473 N HA -0.159 4.579 4.740 -0.002 0.000 0.248 473 N C 0.517 176.096 175.510 0.114 0.000 1.083 473 N CA 1.181 54.283 53.050 0.087 0.000 0.703 473 N CB -1.652 36.874 38.487 0.066 0.000 1.005 473 N HN 0.439 nan 8.380 nan 0.000 0.550 474 V N -4.195 115.799 119.914 0.133 0.000 3.604 474 V HA 0.471 4.590 4.120 -0.002 0.000 0.277 474 V C 1.279 177.478 176.094 0.174 0.000 1.399 474 V CA 0.734 63.124 62.300 0.150 0.000 1.034 474 V CB 0.586 32.487 31.823 0.130 0.000 0.824 474 V HN 0.276 nan 8.190 nan 0.000 0.439 475 G N 1.353 110.225 108.800 0.120 0.000 2.527 475 G HA2 0.540 4.499 3.960 -0.002 0.000 0.248 475 G HA3 0.540 4.499 3.960 -0.002 0.000 0.248 475 G C -0.841 174.165 174.900 0.177 0.000 1.231 475 G CA 0.012 45.146 45.100 0.056 0.000 0.838 475 G HN 0.891 nan 8.290 nan 0.000 0.570 476 F N -0.272 119.698 119.950 0.033 0.000 2.668 476 F HA 0.757 5.283 4.527 -0.002 0.000 0.309 476 F C -0.680 175.139 175.800 0.031 0.000 1.117 476 F CA -1.440 56.579 58.000 0.032 0.000 0.951 476 F CB 1.551 40.571 39.000 0.033 0.000 1.323 476 F HN 0.711 nan 8.300 nan 0.000 0.451 477 V N -1.657 118.431 119.914 0.290 0.000 3.206 477 V HA 0.908 5.027 4.120 -0.002 0.000 0.305 477 V C -0.662 175.539 176.094 0.178 0.000 1.257 477 V CA -0.514 61.876 62.300 0.151 0.000 1.057 477 V CB 1.306 33.176 31.823 0.080 0.000 1.075 477 V HN 1.207 nan 8.190 nan 0.000 0.443 478 T N 0.022 114.648 114.554 0.121 0.000 2.929 478 T HA 0.836 5.185 4.350 -0.002 0.000 0.284 478 T C -0.564 174.171 174.700 0.060 0.000 1.014 478 T CA -0.449 61.709 62.100 0.097 0.000 1.051 478 T CB 1.560 70.481 68.868 0.088 0.000 1.028 478 T HN 1.227 nan 8.240 nan 0.000 0.485 479 E N 0.751 120.975 120.200 0.040 0.000 2.340 479 E HA 0.593 4.942 4.350 -0.002 0.000 0.273 479 E C -0.942 175.639 176.600 -0.032 0.000 0.891 479 E CA -1.297 55.108 56.400 0.008 0.000 0.757 479 E CB 2.186 31.892 29.700 0.011 0.000 1.231 479 E HN 0.696 nan 8.360 nan 0.000 0.439 480 R N 1.093 121.550 120.500 -0.072 0.000 2.664 480 R HA 0.509 4.848 4.340 -0.002 0.000 0.286 480 R C -1.182 174.962 176.300 -0.260 0.000 0.967 480 R CA -0.300 55.713 56.100 -0.146 0.000 0.933 480 R CB 2.079 32.326 30.300 -0.090 0.000 1.146 480 R HN 0.662 nan 8.270 nan 0.000 0.468 481 T N 2.780 117.012 114.554 -0.536 0.000 2.861 481 T HA 0.346 4.694 4.350 -0.002 0.000 0.287 481 T C -0.925 173.446 174.700 -0.548 0.000 1.003 481 T CA -0.568 61.151 62.100 -0.634 0.000 0.977 481 T CB 1.788 70.001 68.868 -1.093 0.000 0.996 481 T HN 0.281 nan 8.240 nan 0.000 0.448 482 V N 3.197 122.955 119.914 -0.259 0.000 2.481 482 V HA 0.331 4.450 4.120 -0.002 0.000 0.286 482 V C 0.144 176.216 176.094 -0.037 0.000 1.042 482 V CA -0.756 61.477 62.300 -0.111 0.000 0.928 482 V CB 1.724 33.516 31.823 -0.052 0.000 0.986 482 V HN 0.719 nan 8.190 nan 0.000 0.462 483 V N 5.130 125.073 119.914 0.048 0.000 2.405 483 V HA 0.206 4.324 4.120 -0.002 0.000 0.264 483 V C 1.052 177.187 176.094 0.069 0.000 1.048 483 V CA -0.023 62.336 62.300 0.098 0.000 0.966 483 V CB 0.741 32.654 31.823 0.151 0.000 1.015 483 V HN 0.939 nan 8.190 nan 0.000 0.477 484 E N 3.293 123.525 120.200 0.053 0.000 2.307 484 E HA 0.158 4.507 4.350 -0.002 0.000 0.195 484 E C 0.312 176.945 176.600 0.055 0.000 0.975 484 E CA 0.497 56.924 56.400 0.045 0.000 0.878 484 E CB 0.704 30.422 29.700 0.029 0.000 0.845 484 E HN 0.607 nan 8.360 nan 0.000 0.488 485 K N 0.768 121.202 120.400 0.057 0.000 2.482 485 K HA 0.423 4.742 4.320 -0.002 0.000 0.257 485 K C -2.783 173.866 176.600 0.082 0.000 0.969 485 K CA -2.183 54.142 56.287 0.064 0.000 0.842 485 K CB 1.968 34.496 32.500 0.046 0.000 1.359 485 K HN -0.227 nan 8.250 nan 0.000 0.441 486 P HA 0.100 nan 4.420 nan 0.000 0.267 486 P C -0.250 177.127 177.300 0.129 0.000 1.200 486 P CA 0.215 63.404 63.100 0.148 0.000 0.772 486 P CB 0.647 32.447 31.700 0.166 0.000 0.855 487 G N 0.774 109.674 108.800 0.167 0.000 2.367 487 G HA2 0.411 4.370 3.960 -0.002 0.000 0.272 487 G HA3 0.411 4.370 3.960 -0.002 0.000 0.272 487 G C -2.038 172.851 174.900 -0.018 0.000 1.271 487 G CA -0.611 44.536 45.100 0.078 0.000 0.893 487 G HN 0.510 nan 8.290 nan 0.000 0.485 488 Y N -1.310 118.760 120.300 -0.383 0.000 2.602 488 Y HA 0.853 5.401 4.550 -0.002 0.000 0.342 488 Y C -0.493 175.123 175.900 -0.474 0.000 1.029 488 Y CA -1.721 55.929 58.100 -0.750 0.000 1.080 488 Y CB 1.581 39.080 38.460 -1.601 0.000 1.284 488 Y HN 0.511 nan 8.280 nan 0.000 0.485 489 V N 1.905 121.625 119.914 -0.323 0.000 2.513 489 V HA 0.308 4.427 4.120 -0.002 0.000 0.299 489 V C -0.295 175.671 176.094 -0.213 0.000 1.035 489 V CA -1.082 60.987 62.300 -0.385 0.000 0.889 489 V CB 1.375 32.862 31.823 -0.559 0.000 0.988 489 V HN 0.835 nan 8.190 nan 0.000 0.440 490 E N 2.655 122.746 120.200 -0.181 0.000 2.366 490 E HA 0.240 4.589 4.350 -0.002 0.000 0.266 490 E C -0.428 176.117 176.600 -0.090 0.000 1.051 490 E CA -0.341 56.022 56.400 -0.063 0.000 0.884 490 E CB 0.880 30.564 29.700 -0.028 0.000 1.006 490 E HN 0.597 nan 8.360 nan 0.000 0.417 491 Q N 0.787 120.566 119.800 -0.036 0.000 2.340 491 Q HA 0.223 4.562 4.340 -0.002 0.000 0.249 491 Q C -0.412 175.547 176.000 -0.068 0.000 0.957 491 Q CA 0.079 55.875 55.803 -0.012 0.000 0.882 491 Q CB 1.235 29.958 28.738 -0.025 0.000 1.235 491 Q HN 0.282 nan 8.270 nan 0.000 0.439 492 S N 1.781 117.414 115.700 -0.111 0.000 2.564 492 S HA 0.222 4.691 4.470 -0.002 0.000 0.141 492 S C -2.140 172.318 174.600 -0.238 0.000 1.474 492 S CA -1.123 56.997 58.200 -0.133 0.000 1.236 492 S CB 0.531 63.701 63.200 -0.050 0.000 1.481 492 S HN 0.436 nan 8.310 nan 0.000 0.397 493 P HA -0.001 nan 4.420 nan 0.000 0.220 493 P C 0.935 177.958 177.300 -0.463 0.000 1.148 493 P CA 0.925 63.693 63.100 -0.553 0.000 0.803 493 P CB -0.155 31.042 31.700 -0.839 0.000 0.782 494 F N 0.448 120.379 119.950 -0.032 0.000 2.797 494 F HA 0.054 4.580 4.527 -0.002 0.000 0.302 494 F C 1.751 177.526 175.800 -0.042 0.000 1.130 494 F CA 0.837 58.815 58.000 -0.037 0.000 1.387 494 F CB -0.730 38.255 39.000 -0.026 0.000 1.107 494 F HN -0.042 nan 8.300 nan 0.000 0.577 495 T N -3.530 111.057 114.554 0.055 0.000 3.176 495 T HA 0.083 4.432 4.350 -0.002 0.000 0.263 495 T C 0.650 175.334 174.700 -0.026 0.000 1.021 495 T CA -0.400 61.715 62.100 0.025 0.000 0.905 495 T CB -0.626 68.268 68.868 0.044 0.000 1.057 495 T HN 0.360 nan 8.240 nan 0.000 0.558 496 N N 1.697 120.359 118.700 -0.063 0.000 2.716 496 N HA -0.199 4.540 4.740 -0.002 0.000 0.250 496 N C 0.042 175.478 175.510 -0.122 0.000 1.033 496 N CA 0.082 53.074 53.050 -0.096 0.000 0.727 496 N CB -0.569 37.875 38.487 -0.072 0.000 0.950 496 N HN 0.661 nan 8.380 nan 0.000 0.541 497 R N 0.799 121.213 120.500 -0.144 0.000 2.538 497 R HA 0.052 4.391 4.340 -0.002 0.000 0.282 497 R C -0.470 175.628 176.300 -0.336 0.000 1.009 497 R CA 0.612 56.617 56.100 -0.158 0.000 1.063 497 R CB 0.495 30.706 30.300 -0.148 0.000 0.945 497 R HN 0.181 nan 8.270 nan 0.000 0.414 498 S N 4.565 120.105 115.700 -0.266 0.000 2.659 498 S HA 0.325 4.793 4.470 -0.002 0.000 0.312 498 S C -1.216 173.261 174.600 -0.204 0.000 1.114 498 S CA -0.731 57.263 58.200 -0.343 0.000 1.063 498 S CB 0.423 63.483 63.200 -0.234 0.000 0.996 498 S HN 0.520 nan 8.310 nan 0.000 0.478 499 Y N 3.848 124.169 120.300 0.035 0.000 2.377 499 Y HA 0.458 5.007 4.550 -0.002 0.000 0.330 499 Y C 0.919 176.849 175.900 0.049 0.000 1.108 499 Y CA -0.440 57.710 58.100 0.084 0.000 1.308 499 Y CB 0.732 39.231 38.460 0.066 0.000 1.216 499 Y HN 0.374 nan 8.280 nan 0.000 0.518 500 K N 3.512 124.042 120.400 0.218 0.000 2.482 500 K HA 0.619 4.938 4.320 -0.002 0.000 0.257 500 K C -1.636 175.066 176.600 0.171 0.000 0.969 500 K CA -1.026 55.346 56.287 0.140 0.000 0.842 500 K CB 2.670 35.197 32.500 0.045 0.000 1.359 500 K HN 0.456 nan 8.250 nan 0.000 0.441 501 I N 3.130 123.807 120.570 0.178 0.000 2.362 501 I HA 0.394 4.563 4.170 -0.002 0.000 0.289 501 I C -0.002 176.225 176.117 0.184 0.000 0.994 501 I CA -0.586 60.814 61.300 0.167 0.000 1.158 501 I CB 1.226 39.319 38.000 0.155 0.000 1.315 501 I HN 0.508 nan 8.210 nan 0.000 0.451 502 I N 2.062 122.722 120.570 0.150 0.000 3.023 502 I HA 0.604 4.773 4.170 -0.002 0.000 0.312 502 I C -0.797 175.390 176.117 0.118 0.000 1.056 502 I CA -0.772 60.618 61.300 0.151 0.000 1.033 502 I CB 2.086 40.161 38.000 0.125 0.000 1.233 502 I HN 0.583 nan 8.210 nan 0.000 0.462 503 N N 2.026 120.786 118.700 0.100 0.000 2.564 503 N HA 0.229 4.967 4.740 -0.002 0.000 0.248 503 N C 0.242 175.774 175.510 0.036 0.000 0.986 503 N CA -0.473 52.611 53.050 0.057 0.000 0.921 503 N CB 0.980 39.487 38.487 0.033 0.000 1.136 503 N HN 0.662 nan 8.380 nan 0.000 0.509 504 E N 1.403 121.625 120.200 0.037 0.000 2.409 504 E HA -0.116 4.233 4.350 -0.002 0.000 0.198 504 E C 0.416 177.024 176.600 0.013 0.000 1.024 504 E CA 0.607 57.023 56.400 0.027 0.000 0.861 504 E CB 0.158 29.875 29.700 0.028 0.000 0.788 504 E HN 0.633 nan 8.360 nan 0.000 0.521 505 N N 0.704 119.409 118.700 0.008 0.000 2.353 505 N HA 0.016 4.755 4.740 -0.002 0.000 0.185 505 N C -0.116 175.383 175.510 -0.019 0.000 1.098 505 N CA 0.475 53.524 53.050 -0.002 0.000 0.872 505 N CB 0.543 39.031 38.487 0.002 0.000 0.970 505 N HN 0.031 nan 8.380 nan 0.000 0.467 506 K N 1.476 121.858 120.400 -0.031 0.000 2.559 506 K HA 0.355 4.674 4.320 -0.002 0.000 0.249 506 K C -0.797 175.765 176.600 -0.063 0.000 0.958 506 K CA -0.513 55.736 56.287 -0.063 0.000 0.901 506 K CB 2.072 34.511 32.500 -0.102 0.000 1.124 506 K HN -0.158 nan 8.250 nan 0.000 0.437 507 I N 2.220 122.757 120.570 -0.055 0.000 2.365 507 I HA 0.106 4.275 4.170 -0.002 0.000 0.291 507 I C 0.666 176.743 176.117 -0.067 0.000 1.004 507 I CA -0.652 60.620 61.300 -0.046 0.000 1.311 507 I CB 0.845 38.827 38.000 -0.030 0.000 1.401 507 I HN 0.561 nan 8.210 nan 0.000 0.491 508 N N 9.188 127.848 118.700 -0.066 0.000 2.440 508 N HA 0.052 4.791 4.740 -0.002 0.000 0.265 508 N C -1.729 173.745 175.510 -0.060 0.000 1.239 508 N CA -0.864 52.139 53.050 -0.079 0.000 0.909 508 N CB 1.412 39.851 38.487 -0.080 0.000 1.066 508 N HN 0.342 nan 8.380 nan 0.000 0.474 509 P HA -0.003 nan 4.420 nan 0.000 0.245 509 P C 1.053 178.329 177.300 -0.040 0.000 1.212 509 P CA 0.357 63.430 63.100 -0.045 0.000 0.774 509 P CB 0.644 32.318 31.700 -0.043 0.000 0.999 510 I N 0.390 120.933 120.570 -0.045 0.000 2.900 510 I HA -0.054 4.115 4.170 -0.002 0.000 0.251 510 I C 2.365 178.454 176.117 -0.047 0.000 1.102 510 I CA 1.386 62.660 61.300 -0.043 0.000 1.457 510 I CB -1.594 36.378 38.000 -0.046 0.000 1.285 510 I HN 0.021 nan 8.210 nan 0.000 0.459 511 S N 0.611 116.275 115.700 -0.059 0.000 2.489 511 S HA -0.061 4.408 4.470 -0.002 0.000 0.228 511 S C 0.885 175.464 174.600 -0.034 0.000 0.995 511 S CA 0.212 58.379 58.200 -0.055 0.000 0.934 511 S CB -0.077 63.071 63.200 -0.086 0.000 0.771 511 S HN 0.314 nan 8.310 nan 0.000 0.522 512 K N -0.284 120.096 120.400 -0.033 0.000 3.281 512 K HA -0.093 4.226 4.320 -0.002 0.000 0.295 512 K C -0.748 175.847 176.600 -0.009 0.000 1.233 512 K CA 1.029 57.304 56.287 -0.021 0.000 0.866 512 K CB -1.886 30.604 32.500 -0.016 0.000 1.265 512 K HN 0.462 nan 8.250 nan 0.000 0.482 513 K N -0.062 120.334 120.400 -0.006 0.000 2.295 513 K HA 0.513 4.832 4.320 -0.002 0.000 0.239 513 K C -2.624 173.986 176.600 0.017 0.000 0.991 513 K CA -2.506 53.792 56.287 0.020 0.000 0.845 513 K CB 0.902 33.434 32.500 0.053 0.000 1.197 513 K HN -0.278 nan 8.250 nan 0.000 0.441 514 P HA -0.056 nan 4.420 nan 0.000 0.265 514 P C -0.039 177.298 177.300 0.062 0.000 1.193 514 P CA -0.331 62.791 63.100 0.038 0.000 0.765 514 P CB 0.271 32.004 31.700 0.055 0.000 0.823 515 V N 0.617 120.545 119.914 0.024 0.000 2.999 515 V HA 0.573 4.692 4.120 -0.002 0.000 0.307 515 V C 0.108 176.323 176.094 0.201 0.000 1.084 515 V CA -0.281 62.049 62.300 0.049 0.000 1.155 515 V CB -0.108 31.639 31.823 -0.127 0.000 0.975 515 V HN 0.743 nan 8.190 nan 0.000 0.490 516 A N 2.851 125.870 122.820 0.331 0.000 2.610 516 A HA 0.790 5.109 4.320 -0.002 0.000 0.291 516 A C -1.639 176.187 177.584 0.404 0.000 1.086 516 A CA -0.687 51.573 52.037 0.372 0.000 0.677 516 A CB 1.428 20.649 19.000 0.369 0.000 1.278 516 A HN 0.919 nan 8.150 nan 0.000 0.414 517 Y N 0.878 121.289 120.300 0.185 0.000 2.429 517 Y HA 0.548 5.097 4.550 -0.002 0.000 0.342 517 Y C 0.501 176.467 175.900 0.110 0.000 1.004 517 Y CA -0.257 57.911 58.100 0.114 0.000 1.075 517 Y CB 2.154 40.627 38.460 0.021 0.000 1.214 517 Y HN 0.740 nan 8.280 nan 0.000 0.455 518 K N 2.841 123.317 120.400 0.127 0.000 2.208 518 K HA 0.769 5.088 4.320 -0.002 0.000 0.247 518 K C -1.426 175.227 176.600 0.087 0.000 0.953 518 K CA -0.686 55.632 56.287 0.051 0.000 0.837 518 K CB 2.002 34.437 32.500 -0.108 0.000 1.131 518 K HN 0.548 nan 8.250 nan 0.000 0.431 519 I N 2.566 123.187 120.570 0.085 0.000 2.392 519 I HA 0.246 4.415 4.170 -0.002 0.000 0.295 519 I C -0.176 175.954 176.117 0.022 0.000 0.985 519 I CA -0.829 60.530 61.300 0.099 0.000 1.221 519 I CB 1.428 39.556 38.000 0.214 0.000 1.366 519 I HN 0.447 nan 8.210 nan 0.000 0.467 520 M N 8.754 128.361 119.600 0.012 0.000 2.114 520 M HA 0.551 5.030 4.480 -0.002 0.000 0.332 520 M C -0.804 175.491 176.300 -0.008 0.000 1.014 520 M CA -0.372 54.915 55.300 -0.022 0.000 0.956 520 M CB 1.323 33.910 32.600 -0.021 0.000 1.551 520 M HN 0.588 nan 8.290 nan 0.000 0.427 521 M N 3.143 122.735 119.600 -0.013 0.000 2.414 521 M HA 0.677 5.156 4.480 -0.002 0.000 0.287 521 M C -3.003 173.294 176.300 -0.004 0.000 1.181 521 M CA -1.520 53.791 55.300 0.019 0.000 0.933 521 M CB 2.040 34.692 32.600 0.087 0.000 1.732 521 M HN 0.241 nan 8.290 nan 0.000 0.486 522 P HA 0.403 nan 4.420 nan 0.000 0.274 522 P C -0.465 176.831 177.300 -0.006 0.000 1.231 522 P CA -0.210 62.880 63.100 -0.016 0.000 0.790 522 P CB 0.726 32.426 31.700 0.000 0.000 0.951 523 A N 3.663 126.451 122.820 -0.054 0.000 2.531 523 A HA 0.305 4.624 4.320 -0.002 0.000 0.236 523 A C 0.413 177.991 177.584 -0.010 0.000 1.062 523 A CA 0.175 52.180 52.037 -0.054 0.000 0.760 523 A CB -0.137 18.768 19.000 -0.159 0.000 0.995 523 A HN 0.476 nan 8.150 nan 0.000 0.501 524 R N 0.934 121.442 120.500 0.013 0.000 2.668 524 R HA 0.251 4.589 4.340 -0.002 0.000 0.272 524 R C -0.676 175.638 176.300 0.023 0.000 1.019 524 R CA -0.692 55.429 56.100 0.035 0.000 0.894 524 R CB 1.568 31.907 30.300 0.066 0.000 1.228 524 R HN 0.988 nan 8.270 nan 0.000 0.460 525 Q N 2.683 122.497 119.800 0.023 0.000 2.330 525 Q HA 0.080 4.419 4.340 -0.002 0.000 0.279 525 Q C -0.254 175.745 176.000 -0.001 0.000 1.024 525 Q CA 0.363 56.170 55.803 0.007 0.000 0.900 525 Q CB 0.677 29.418 28.738 0.005 0.000 1.221 525 Q HN 0.305 nan 8.270 nan 0.000 0.396 526 M N 2.334 121.922 119.600 -0.019 0.000 2.634 526 M HA 0.238 4.716 4.480 -0.002 0.000 0.251 526 M C -0.279 175.984 176.300 -0.062 0.000 1.092 526 M CA -1.010 54.268 55.300 -0.037 0.000 1.015 526 M CB -0.333 32.241 32.600 -0.044 0.000 1.427 526 M HN 0.695 nan 8.290 nan 0.000 0.580 527 L N 1.503 122.668 121.223 -0.096 0.000 2.706 527 L HA -0.126 4.213 4.340 -0.002 0.000 0.282 527 L C 0.872 177.699 176.870 -0.072 0.000 1.219 527 L CA 0.761 55.535 54.840 -0.109 0.000 0.935 527 L CB -0.237 41.738 42.059 -0.140 0.000 1.204 527 L HN 0.544 nan 8.230 nan 0.000 0.491 528 L N 4.585 125.770 121.223 -0.062 0.000 2.307 528 L HA 0.183 4.522 4.340 -0.002 0.000 0.211 528 L C 1.358 178.215 176.870 -0.021 0.000 1.099 528 L CA 0.341 55.161 54.840 -0.034 0.000 0.816 528 L CB -0.222 41.822 42.059 -0.025 0.000 0.952 528 L HN 0.865 nan 8.230 nan 0.000 0.455 529 A N 0.501 123.305 122.820 -0.027 0.000 2.561 529 A HA -0.092 4.227 4.320 -0.002 0.000 0.234 529 A C -0.080 177.493 177.584 -0.019 0.000 1.055 529 A CA -0.107 51.923 52.037 -0.012 0.000 0.756 529 A CB -0.138 18.858 19.000 -0.006 0.000 0.986 529 A HN 0.312 nan 8.150 nan 0.000 0.505 530 D N 0.198 120.591 120.400 -0.012 0.000 2.400 530 D HA 0.066 4.705 4.640 -0.002 0.000 0.238 530 D C 1.288 177.572 176.300 -0.028 0.000 1.157 530 D CA 0.708 54.697 54.000 -0.018 0.000 0.889 530 D CB 0.556 41.346 40.800 -0.016 0.000 1.199 530 D HN 0.702 nan 8.370 nan 0.000 0.436 531 E N 1.385 121.567 120.200 -0.031 0.000 2.160 531 E HA -0.255 4.094 4.350 -0.002 0.000 0.195 531 E C 0.172 176.743 176.600 -0.049 0.000 0.991 531 E CA 0.988 57.365 56.400 -0.038 0.000 0.810 531 E CB 0.094 29.775 29.700 -0.032 0.000 0.742 531 E HN 0.431 nan 8.360 nan 0.000 0.466 532 D N 0.762 121.133 120.400 -0.048 0.000 2.713 532 D HA 0.081 4.720 4.640 -0.002 0.000 0.229 532 D C -1.407 174.851 176.300 -0.070 0.000 1.136 532 D CA -0.091 53.869 54.000 -0.067 0.000 1.010 532 D CB -0.124 40.642 40.800 -0.057 0.000 1.084 532 D HN 0.159 nan 8.370 nan 0.000 0.495 533 S N 0.179 115.834 115.700 -0.075 0.000 2.596 533 S HA 0.253 4.721 4.470 -0.002 0.000 0.270 533 S C 0.536 175.109 174.600 -0.045 0.000 1.155 533 S CA -0.803 57.376 58.200 -0.035 0.000 0.827 533 S CB 0.490 63.702 63.200 0.021 0.000 1.130 533 S HN 0.136 nan 8.310 nan 0.000 0.467 534 Y N 1.420 121.728 120.300 0.014 0.000 2.352 534 Y HA -0.065 4.484 4.550 -0.002 0.000 0.292 534 Y C 2.423 178.341 175.900 0.029 0.000 1.136 534 Y CA 1.735 59.846 58.100 0.018 0.000 1.227 534 Y CB -0.292 38.190 38.460 0.036 0.000 0.991 534 Y HN 0.720 nan 8.280 nan 0.000 0.545 535 N N -0.108 118.703 118.700 0.185 0.000 2.120 535 N HA -0.246 4.492 4.740 -0.002 0.000 0.188 535 N C 1.806 177.344 175.510 0.046 0.000 1.024 535 N CA 0.973 54.095 53.050 0.119 0.000 0.852 535 N CB -0.332 38.191 38.487 0.060 0.000 1.003 535 N HN 0.404 nan 8.380 nan 0.000 0.424 536 N N 1.629 120.331 118.700 0.004 0.000 2.069 536 N HA -0.153 4.586 4.740 -0.002 0.000 0.191 536 N C 1.242 176.726 175.510 -0.043 0.000 1.031 536 N CA 1.199 54.223 53.050 -0.043 0.000 0.852 536 N CB 0.125 38.583 38.487 -0.049 0.000 1.018 536 N HN 0.071 nan 8.380 nan 0.000 0.423 537 K N 1.016 121.402 120.400 -0.023 0.000 2.211 537 K HA -0.027 4.292 4.320 -0.002 0.000 0.203 537 K C 1.931 178.522 176.600 -0.014 0.000 1.050 537 K CA 0.767 57.032 56.287 -0.036 0.000 0.945 537 K CB -0.164 32.298 32.500 -0.063 0.000 0.732 537 K HN 0.375 nan 8.250 nan 0.000 0.451 538 R N -0.261 120.271 120.500 0.053 0.000 2.280 538 R HA 0.174 4.513 4.340 -0.002 0.000 0.195 538 R C 0.408 176.761 176.300 0.090 0.000 0.935 538 R CA 0.520 56.647 56.100 0.045 0.000 1.033 538 R CB 0.520 30.900 30.300 0.133 0.000 0.964 538 R HN -0.032 nan 8.270 nan 0.000 0.489 539 A N 0.737 123.585 122.820 0.047 0.000 3.370 539 A HA 0.176 4.495 4.320 -0.002 0.000 0.295 539 A C 0.473 177.868 177.584 -0.315 0.000 1.030 539 A CA -0.570 51.429 52.037 -0.063 0.000 0.883 539 A CB 0.630 19.544 19.000 -0.144 0.000 1.191 539 A HN -0.046 nan 8.150 nan 0.000 0.507 540 Q N 0.026 119.662 119.800 -0.274 0.000 2.170 540 Q HA -0.191 4.148 4.340 -0.002 0.000 0.203 540 Q C 1.636 177.382 176.000 -0.425 0.000 0.976 540 Q CA 2.002 57.616 55.803 -0.314 0.000 0.858 540 Q CB -0.465 28.059 28.738 -0.355 0.000 0.907 540 Q HN 1.052 nan 8.270 nan 0.000 0.433 541 F N -0.215 119.384 119.950 -0.585 0.000 2.250 541 F HA -0.034 4.492 4.527 -0.002 0.000 0.301 541 F C 1.897 177.672 175.800 -0.041 0.000 1.077 541 F CA 1.080 58.699 58.000 -0.635 0.000 1.348 541 F CB -0.523 38.161 39.000 -0.526 0.000 1.040 541 F HN -0.052 nan 8.300 nan 0.000 0.509 542 A N 0.437 122.686 122.820 -0.951 0.000 2.238 542 A HA 0.040 4.359 4.320 -0.002 0.000 0.208 542 A C 2.023 179.469 177.584 -0.229 0.000 1.177 542 A CA 1.107 52.723 52.037 -0.703 0.000 0.804 542 A CB -1.359 17.099 19.000 -0.904 0.000 0.823 542 A HN 0.568 nan 8.150 nan 0.000 0.482 543 T N -3.803 110.698 114.554 -0.088 0.000 3.044 543 T HA 0.220 4.568 4.350 -0.002 0.000 0.250 543 T C 0.558 175.235 174.700 -0.038 0.000 1.081 543 T CA 0.042 62.116 62.100 -0.043 0.000 1.040 543 T CB 0.139 68.984 68.868 -0.039 0.000 0.962 543 T HN 0.282 nan 8.240 nan 0.000 0.506 544 Q N 0.169 120.042 119.800 0.122 0.000 2.456 544 Q HA 0.351 4.690 4.340 -0.002 0.000 0.284 544 Q C 0.238 176.274 176.000 0.060 0.000 1.061 544 Q CA -0.527 55.203 55.803 -0.121 0.000 0.799 544 Q CB 2.243 30.527 28.738 -0.757 0.000 1.445 544 Q HN 0.260 nan 8.270 nan 0.000 0.411 545 Q N 0.000 119.752 119.800 -0.080 0.000 2.212 545 Q HA 0.133 4.472 4.340 -0.002 0.000 0.199 545 Q C -0.332 175.662 176.000 -0.011 0.000 0.950 545 Q CA 0.799 56.613 55.803 0.019 0.000 0.863 545 Q CB 0.760 29.515 28.738 0.029 0.000 0.944 545 Q HN 0.356 nan 8.270 nan 0.000 0.465 546 V N 0.515 120.279 119.914 -0.250 0.000 2.733 546 V HA 0.339 4.458 4.120 -0.002 0.000 0.306 546 V C -1.657 174.262 176.094 -0.291 0.000 1.084 546 V CA -0.746 61.415 62.300 -0.230 0.000 0.905 546 V CB 1.545 32.972 31.823 -0.660 0.000 1.010 546 V HN 0.262 nan 8.190 nan 0.000 0.424 547 W N 2.754 124.133 121.300 0.132 0.000 2.781 547 W HA 0.820 5.479 4.660 -0.002 0.000 0.345 547 W C -0.785 175.909 176.519 0.292 0.000 1.085 547 W CA -0.739 56.720 57.345 0.190 0.000 1.198 547 W CB 2.114 31.657 29.460 0.138 0.000 1.423 547 W HN 0.307 nan 8.180 nan 0.000 0.532 548 V N 2.272 122.456 119.914 0.449 0.000 2.531 548 V HA 0.645 4.764 4.120 -0.002 0.000 0.301 548 V C -0.003 176.333 176.094 0.404 0.000 1.034 548 V CA -0.756 61.792 62.300 0.413 0.000 0.865 548 V CB 1.504 33.472 31.823 0.242 0.000 0.995 548 V HN 0.603 nan 8.190 nan 0.000 0.424 549 T N 1.272 116.116 114.554 0.483 0.000 2.910 549 T HA 0.631 4.980 4.350 -0.002 0.000 0.287 549 T C -0.549 174.316 174.700 0.274 0.000 1.050 549 T CA -0.917 61.401 62.100 0.364 0.000 1.011 549 T CB 2.038 71.148 68.868 0.404 0.000 1.195 549 T HN 0.513 nan 8.240 nan 0.000 0.540 550 K N 0.497 121.007 120.400 0.182 0.000 2.205 550 K HA 0.298 4.617 4.320 -0.002 0.000 0.279 550 K C -0.697 175.967 176.600 0.106 0.000 1.027 550 K CA -0.845 55.529 56.287 0.144 0.000 0.932 550 K CB 0.506 33.065 32.500 0.097 0.000 1.032 550 K HN 0.678 nan 8.250 nan 0.000 0.466 551 Y N 4.118 124.439 120.300 0.035 0.000 2.811 551 Y HA -0.051 4.498 4.550 -0.002 0.000 0.334 551 Y C -0.479 175.381 175.900 -0.066 0.000 1.247 551 Y CA 0.648 58.738 58.100 -0.016 0.000 1.526 551 Y CB 0.554 38.992 38.460 -0.037 0.000 1.284 551 Y HN 0.477 nan 8.280 nan 0.000 0.586 552 R N 4.239 124.072 120.500 -1.111 0.000 2.651 552 R HA 0.182 4.520 4.340 -0.002 0.000 0.278 552 R C -1.401 174.228 176.300 -1.118 0.000 1.010 552 R CA -1.106 54.488 56.100 -0.843 0.000 0.896 552 R CB 1.313 31.302 30.300 -0.518 0.000 1.211 552 R HN 0.741 nan 8.270 nan 0.000 0.456 553 D N 2.412 122.486 120.400 -0.544 0.000 2.472 553 D HA -0.008 4.631 4.640 -0.002 0.000 0.237 553 D C 0.479 176.628 176.300 -0.251 0.000 1.141 553 D CA 0.840 54.706 54.000 -0.223 0.000 0.875 553 D CB 0.386 41.180 40.800 -0.009 0.000 1.192 553 D HN 0.388 nan 8.370 nan 0.000 0.450 554 N N 1.332 119.928 118.700 -0.173 0.000 2.725 554 N HA -0.270 4.469 4.740 -0.002 0.000 0.249 554 N C -0.338 174.992 175.510 -0.300 0.000 1.103 554 N CA 0.659 53.603 53.050 -0.175 0.000 0.707 554 N CB -1.115 37.321 38.487 -0.085 0.000 1.043 554 N HN 0.621 nan 8.380 nan 0.000 0.553 555 E N 0.426 120.352 120.200 -0.456 0.000 2.376 555 E HA 0.363 4.712 4.350 -0.002 0.000 0.236 555 E C 0.662 177.042 176.600 -0.366 0.000 0.962 555 E CA -0.274 55.707 56.400 -0.699 0.000 0.768 555 E CB 0.293 29.375 29.700 -1.030 0.000 1.236 555 E HN 0.257 nan 8.360 nan 0.000 0.431 556 L N 3.048 124.091 121.223 -0.299 0.000 2.803 556 L HA 0.272 4.611 4.340 -0.002 0.000 0.246 556 L C -0.550 176.144 176.870 -0.294 0.000 1.100 556 L CA -0.039 54.523 54.840 -0.463 0.000 0.919 556 L CB 0.585 42.023 42.059 -1.036 0.000 1.285 556 L HN 0.438 nan 8.230 nan 0.000 0.522 557 Y N -0.512 120.025 120.300 0.396 0.000 2.328 557 Y HA 0.450 4.998 4.550 -0.002 0.000 0.333 557 Y C 0.950 176.928 175.900 0.130 0.000 0.958 557 Y CA -1.244 56.981 58.100 0.208 0.000 1.167 557 Y CB 1.396 39.892 38.460 0.060 0.000 1.151 557 Y HN -0.112 nan 8.280 nan 0.000 0.470 558 A N 2.621 125.518 122.820 0.128 0.000 2.019 558 A HA 0.015 4.334 4.320 -0.002 0.000 0.219 558 A C 1.925 179.291 177.584 -0.364 0.000 1.164 558 A CA 1.846 53.715 52.037 -0.280 0.000 0.644 558 A CB -0.425 18.250 19.000 -0.543 0.000 0.805 558 A HN 0.800 nan 8.150 nan 0.000 0.449 559 A N -1.716 121.011 122.820 -0.156 0.000 2.348 559 A HA 0.523 4.842 4.320 -0.002 0.000 0.224 559 A C 1.117 178.519 177.584 -0.305 0.000 1.227 559 A CA 0.970 52.932 52.037 -0.123 0.000 0.885 559 A CB -0.642 18.496 19.000 0.230 0.000 0.933 559 A HN 2.021 nan 8.150 nan 0.000 0.506 560 G N -0.772 107.844 108.800 -0.308 0.000 2.479 560 G HA2 -0.092 3.866 3.960 -0.002 0.000 0.686 560 G HA3 -0.092 3.866 3.960 -0.002 0.000 0.686 560 G C 0.210 175.035 174.900 -0.124 0.000 1.295 560 G CA 0.098 45.027 45.100 -0.286 0.000 0.922 560 G HN 0.204 nan 8.290 nan 0.000 0.582 561 E N -0.978 119.123 120.200 -0.165 0.000 2.107 561 E HA 0.081 4.430 4.350 -0.002 0.000 0.191 561 E C 0.314 176.494 176.600 -0.701 0.000 0.982 561 E CA 0.698 56.857 56.400 -0.402 0.000 0.809 561 E CB 0.008 29.306 29.700 -0.671 0.000 0.756 561 E HN 0.374 nan 8.360 nan 0.000 0.459 562 F N 0.477 120.364 119.950 -0.106 0.000 2.325 562 F HA 0.207 4.733 4.527 -0.002 0.000 0.369 562 F C 1.007 176.668 175.800 -0.233 0.000 1.095 562 F CA -0.632 57.266 58.000 -0.171 0.000 1.082 562 F CB 1.730 40.633 39.000 -0.162 0.000 1.289 562 F HN -0.078 nan 8.300 nan 0.000 0.462 563 T N -2.116 112.362 114.554 -0.126 0.000 3.023 563 T HA 0.018 4.367 4.350 -0.002 0.000 0.249 563 T C 0.777 175.304 174.700 -0.288 0.000 1.050 563 T CA -0.128 61.742 62.100 -0.383 0.000 1.088 563 T CB -0.175 68.379 68.868 -0.524 0.000 0.946 563 T HN 0.264 nan 8.240 nan 0.000 0.480 564 N N 2.874 121.504 118.700 -0.117 0.000 2.434 564 N HA -0.005 4.734 4.740 -0.002 0.000 0.268 564 N C 0.073 175.518 175.510 -0.109 0.000 1.256 564 N CA 0.549 53.554 53.050 -0.075 0.000 0.914 564 N CB -0.278 38.183 38.487 -0.044 0.000 1.088 564 N HN 0.466 nan 8.380 nan 0.000 0.478 565 Q N -0.092 119.652 119.800 -0.093 0.000 2.480 565 Q HA -0.240 4.099 4.340 -0.002 0.000 0.265 565 Q C -0.415 175.496 176.000 -0.147 0.000 1.072 565 Q CA 0.869 56.601 55.803 -0.118 0.000 1.018 565 Q CB -2.096 26.573 28.738 -0.114 0.000 1.433 565 Q HN 0.815 nan 8.270 nan 0.000 0.513 566 S N -1.023 114.575 115.700 -0.169 0.000 2.584 566 S HA 0.147 4.616 4.470 -0.002 0.000 0.270 566 S C 1.000 175.538 174.600 -0.102 0.000 1.346 566 S CA -0.475 57.635 58.200 -0.150 0.000 1.018 566 S CB 1.305 64.371 63.200 -0.224 0.000 0.899 566 S HN 0.216 nan 8.310 nan 0.000 0.542 567 Q N 0.551 120.330 119.800 -0.034 0.000 2.339 567 Q HA 0.151 4.490 4.340 -0.002 0.000 0.205 567 Q C 0.663 176.747 176.000 0.139 0.000 0.925 567 Q CA 1.114 56.979 55.803 0.103 0.000 0.898 567 Q CB 0.305 29.108 28.738 0.108 0.000 1.013 567 Q HN 1.022 nan 8.270 nan 0.000 0.504 568 T N -2.732 111.829 114.554 0.011 0.000 2.853 568 T HA 0.193 4.541 4.350 -0.002 0.000 0.311 568 T C -0.911 173.722 174.700 -0.112 0.000 1.307 568 T CA -0.999 61.081 62.100 -0.032 0.000 1.019 568 T CB 2.139 70.979 68.868 -0.047 0.000 1.264 568 T HN -0.158 nan 8.240 nan 0.000 0.497 569 D N 1.713 122.028 120.400 -0.141 0.000 2.412 569 D HA 0.119 4.758 4.640 -0.002 0.000 0.257 569 D C 1.179 177.309 176.300 -0.283 0.000 1.217 569 D CA 0.378 54.244 54.000 -0.223 0.000 0.897 569 D CB 1.056 41.722 40.800 -0.223 0.000 1.132 569 D HN 0.765 nan 8.370 nan 0.000 0.493 570 T N 0.712 115.065 114.554 -0.335 0.000 3.215 570 T HA 0.452 4.801 4.350 -0.002 0.000 0.271 570 T C 0.859 175.099 174.700 -0.767 0.000 1.012 570 T CA -0.156 61.715 62.100 -0.381 0.000 0.899 570 T CB 0.651 69.403 68.868 -0.193 0.000 1.089 570 T HN 0.273 nan 8.240 nan 0.000 0.552 571 G N 1.394 109.563 108.800 -1.051 0.000 3.345 571 G HA2 0.439 4.398 3.960 -0.002 0.000 0.202 571 G HA3 0.439 4.398 3.960 -0.002 0.000 0.202 571 G C 0.812 174.592 174.900 -1.867 0.000 1.740 571 G CA -0.672 43.176 45.100 -2.086 0.000 0.806 571 G HN 0.299 nan 8.290 nan 0.000 0.718 572 L N 1.312 121.821 121.223 -1.190 0.000 2.189 572 L HA -0.032 4.306 4.340 -0.002 0.000 0.214 572 L C 2.970 179.474 176.870 -0.611 0.000 1.097 572 L CA 1.046 55.400 54.840 -0.810 0.000 0.764 572 L CB -0.476 40.990 42.059 -0.989 0.000 0.900 572 L HN 0.514 nan 8.230 nan 0.000 0.436 573 G N -0.844 107.598 108.800 -0.596 0.000 2.470 573 G HA2 -0.123 3.836 3.960 -0.002 0.000 0.220 573 G HA3 -0.123 3.836 3.960 -0.002 0.000 0.220 573 G C 1.483 176.226 174.900 -0.261 0.000 1.121 573 G CA 0.861 45.742 45.100 -0.366 0.000 0.766 573 G HN 0.236 nan 8.290 nan 0.000 0.553 574 V N -0.780 118.906 119.914 -0.379 0.000 2.521 574 V HA 0.042 4.161 4.120 -0.002 0.000 0.239 574 V C 2.454 178.539 176.094 -0.015 0.000 1.053 574 V CA 0.778 62.960 62.300 -0.198 0.000 1.073 574 V CB -0.501 31.180 31.823 -0.236 0.000 0.746 574 V HN 0.447 nan 8.190 nan 0.000 0.476 575 W N 0.823 122.049 121.300 -0.123 0.000 2.363 575 W HA -0.019 4.640 4.660 -0.002 0.000 0.296 575 W C 2.508 179.002 176.519 -0.043 0.000 1.212 575 W CA 1.131 58.416 57.345 -0.100 0.000 1.260 575 W CB -1.396 27.963 29.460 -0.169 0.000 1.131 575 W HN 0.318 nan 8.180 nan 0.000 0.530 576 A N 0.428 123.348 122.820 0.167 0.000 2.239 576 A HA -0.018 4.301 4.320 -0.002 0.000 0.209 576 A C 1.884 179.593 177.584 0.208 0.000 1.171 576 A CA 0.655 52.830 52.037 0.230 0.000 0.768 576 A CB -0.406 18.826 19.000 0.387 0.000 0.790 576 A HN 0.077 nan 8.150 nan 0.000 0.478 577 R N -0.201 120.388 120.500 0.147 0.000 2.362 577 R HA 0.151 4.490 4.340 -0.002 0.000 0.227 577 R C -0.054 176.306 176.300 0.099 0.000 0.905 577 R CA -0.119 56.052 56.100 0.118 0.000 1.067 577 R CB 0.048 30.399 30.300 0.085 0.000 1.078 577 R HN 0.450 nan 8.270 nan 0.000 0.516 578 R N 1.632 122.200 120.500 0.113 0.000 2.590 578 R HA -0.002 4.337 4.340 -0.002 0.000 0.274 578 R C -0.066 176.282 176.300 0.080 0.000 1.061 578 R CA 0.144 56.299 56.100 0.093 0.000 1.081 578 R CB 0.356 30.715 30.300 0.097 0.000 0.984 578 R HN -0.143 nan 8.270 nan 0.000 0.448 579 D N 3.739 124.176 120.400 0.062 0.000 2.485 579 D HA 0.076 4.714 4.640 -0.002 0.000 0.221 579 D C -0.621 175.709 176.300 0.049 0.000 1.112 579 D CA -0.167 53.865 54.000 0.052 0.000 0.911 579 D CB 0.203 41.028 40.800 0.042 0.000 1.019 579 D HN 0.604 nan 8.370 nan 0.000 0.516 580 E N 1.119 121.352 120.200 0.055 0.000 2.437 580 E HA 0.295 4.644 4.350 -0.002 0.000 0.280 580 E C -1.189 175.445 176.600 0.056 0.000 1.044 580 E CA -1.156 55.275 56.400 0.052 0.000 0.826 580 E CB 0.679 30.412 29.700 0.054 0.000 1.358 580 E HN 0.089 nan 8.360 nan 0.000 0.459 581 N N 0.080 118.811 118.700 0.053 0.000 2.479 581 N HA 0.238 4.976 4.740 -0.002 0.000 0.285 581 N C -0.743 174.807 175.510 0.066 0.000 1.075 581 N CA -0.299 52.783 53.050 0.054 0.000 0.967 581 N CB 1.785 40.299 38.487 0.045 0.000 1.137 581 N HN 0.335 nan 8.380 nan 0.000 0.472 582 V N 2.737 122.694 119.914 0.073 0.000 3.432 582 V HA 0.250 4.369 4.120 -0.002 0.000 0.298 582 V C 0.578 176.720 176.094 0.080 0.000 1.464 582 V CA -0.203 62.149 62.300 0.088 0.000 1.046 582 V CB -0.657 31.232 31.823 0.110 0.000 0.887 582 V HN 0.681 nan 8.190 nan 0.000 0.441 583 R N 1.641 122.180 120.500 0.065 0.000 2.389 583 R HA 0.147 4.486 4.340 -0.002 0.000 0.295 583 R C 0.732 177.064 176.300 0.054 0.000 1.075 583 R CA 0.301 56.435 56.100 0.056 0.000 1.005 583 R CB 0.086 30.411 30.300 0.042 0.000 0.987 583 R HN 0.331 nan 8.270 nan 0.000 0.452 584 N N 1.594 120.328 118.700 0.056 0.000 2.714 584 N HA -0.262 4.477 4.740 -0.002 0.000 0.253 584 N C -1.382 174.162 175.510 0.057 0.000 1.024 584 N CA 1.609 54.691 53.050 0.053 0.000 0.726 584 N CB -0.943 37.569 38.487 0.041 0.000 0.908 584 N HN 0.843 nan 8.380 nan 0.000 0.542 585 D N -0.791 119.649 120.400 0.068 0.000 4.018 585 D HA 0.470 5.108 4.640 -0.002 0.000 0.260 585 D C -0.494 175.854 176.300 0.081 0.000 1.574 585 D CA 0.017 54.060 54.000 0.071 0.000 1.019 585 D CB 0.209 41.053 40.800 0.074 0.000 1.362 585 D HN 0.310 nan 8.370 nan 0.000 0.648 586 N N 1.264 120.020 118.700 0.092 0.000 2.886 586 N HA 0.337 5.075 4.740 -0.002 0.000 0.285 586 N C -2.816 172.781 175.510 0.144 0.000 1.706 586 N CA -1.330 51.783 53.050 0.105 0.000 0.904 586 N CB 1.452 39.990 38.487 0.085 0.000 1.224 586 N HN 0.208 nan 8.380 nan 0.000 0.488 587 P HA -0.001 nan 4.420 nan 0.000 0.269 587 P C -0.610 176.787 177.300 0.161 0.000 1.209 587 P CA 0.047 63.242 63.100 0.159 0.000 0.776 587 P CB 1.536 33.323 31.700 0.144 0.000 0.876 588 V N 3.645 123.677 119.914 0.197 0.000 2.540 588 V HA 0.231 4.350 4.120 -0.002 0.000 0.302 588 V C 0.330 176.482 176.094 0.096 0.000 1.035 588 V CA -0.810 61.543 62.300 0.088 0.000 0.873 588 V CB 2.189 34.049 31.823 0.061 0.000 0.992 588 V HN 0.267 nan 8.190 nan 0.000 0.428 589 V N 3.948 123.837 119.914 -0.042 0.000 2.439 589 V HA 0.436 4.555 4.120 -0.002 0.000 0.282 589 V C -1.050 174.994 176.094 -0.085 0.000 1.039 589 V CA -0.453 61.885 62.300 0.064 0.000 0.913 589 V CB 1.485 33.356 31.823 0.080 0.000 0.983 589 V HN 0.932 nan 8.190 nan 0.000 0.460 590 W N 3.429 124.834 121.300 0.174 0.000 2.391 590 W HA 0.736 5.395 4.660 -0.002 0.000 0.312 590 W C 0.046 176.698 176.519 0.223 0.000 1.003 590 W CA -0.566 56.883 57.345 0.173 0.000 1.375 590 W CB 1.288 30.856 29.460 0.179 0.000 1.253 590 W HN 0.621 nan 8.180 nan 0.000 0.416 591 A N 2.160 125.186 122.820 0.344 0.000 2.289 591 A HA 0.714 5.033 4.320 -0.002 0.000 0.298 591 A C 0.069 177.857 177.584 0.340 0.000 1.208 591 A CA -0.337 51.875 52.037 0.292 0.000 0.845 591 A CB 0.404 19.537 19.000 0.221 0.000 1.125 591 A HN 0.367 nan 8.150 nan 0.000 0.517 592 T N 3.544 118.305 114.554 0.344 0.000 2.743 592 T HA 0.344 4.693 4.350 -0.002 0.000 0.293 592 T C -0.091 174.775 174.700 0.278 0.000 0.945 592 T CA 0.083 62.396 62.100 0.356 0.000 1.030 592 T CB 0.302 69.425 68.868 0.427 0.000 0.912 592 T HN 0.510 nan 8.240 nan 0.000 0.483 593 L N 4.144 125.538 121.223 0.284 0.000 2.270 593 L HA 0.528 4.867 4.340 -0.002 0.000 0.286 593 L C 0.716 177.681 176.870 0.158 0.000 1.059 593 L CA -0.488 54.486 54.840 0.223 0.000 0.839 593 L CB 0.106 42.343 42.059 0.297 0.000 1.221 593 L HN 0.727 nan 8.230 nan 0.000 0.431 594 G N 4.413 113.288 108.800 0.124 0.000 2.339 594 G HA2 0.263 4.222 3.960 -0.002 0.000 0.287 594 G HA3 0.263 4.222 3.960 -0.002 0.000 0.287 594 G C -1.215 173.751 174.900 0.109 0.000 1.163 594 G CA -0.322 44.835 45.100 0.095 0.000 0.872 594 G HN 0.610 nan 8.290 nan 0.000 0.464 595 F N 3.005 122.886 119.950 -0.116 0.000 2.500 595 F HA 0.405 4.931 4.527 -0.002 0.000 0.349 595 F C -0.014 175.757 175.800 -0.048 0.000 1.127 595 F CA -0.915 56.981 58.000 -0.173 0.000 0.998 595 F CB 1.555 40.273 39.000 -0.469 0.000 1.237 595 F HN 0.328 nan 8.300 nan 0.000 0.439 596 T N 5.073 119.597 114.554 -0.049 0.000 2.737 596 T HA 0.057 4.405 4.350 -0.002 0.000 0.296 596 T C -0.563 173.881 174.700 -0.427 0.000 0.922 596 T CA 0.107 62.054 62.100 -0.254 0.000 1.079 596 T CB -0.079 68.722 68.868 -0.112 0.000 0.892 596 T HN 0.605 nan 8.240 nan 0.000 0.514 597 H N 4.914 123.457 119.070 -0.879 0.000 2.690 597 H HA 0.289 4.844 4.556 -0.002 0.000 0.280 597 H C -0.482 174.505 175.328 -0.568 0.000 1.138 597 H CA -1.189 54.346 56.048 -0.854 0.000 1.241 597 H CB 0.168 29.206 29.762 -1.207 0.000 1.394 597 H HN 0.324 nan 8.280 nan 0.000 0.489 598 I N 7.888 128.346 120.570 -0.187 0.000 2.294 598 I HA 0.159 4.328 4.170 -0.002 0.000 0.295 598 I C -2.118 173.962 176.117 -0.062 0.000 1.098 598 I CA -2.727 58.329 61.300 -0.406 0.000 1.277 598 I CB -0.042 37.691 38.000 -0.446 0.000 1.434 598 I HN 0.528 nan 8.210 nan 0.000 0.498 599 P HA 0.241 nan 4.420 nan 0.000 0.272 599 P C -0.304 177.078 177.300 0.137 0.000 1.230 599 P CA -0.268 62.855 63.100 0.038 0.000 0.788 599 P CB 0.648 32.316 31.700 -0.054 0.000 0.949 600 R N 0.330 120.944 120.500 0.189 0.000 2.892 600 R HA 0.479 4.818 4.340 -0.002 0.000 0.265 600 R C 0.431 176.815 176.300 0.141 0.000 1.025 600 R CA -0.860 55.322 56.100 0.136 0.000 0.982 600 R CB 0.207 30.582 30.300 0.126 0.000 1.185 600 R HN 0.039 nan 8.270 nan 0.000 0.484 601 V N 0.996 120.978 119.914 0.113 0.000 2.392 601 V HA -0.235 3.883 4.120 -0.002 0.000 0.249 601 V C 1.572 177.770 176.094 0.173 0.000 1.059 601 V CA 2.108 64.489 62.300 0.134 0.000 1.051 601 V CB -0.802 31.083 31.823 0.103 0.000 0.658 601 V HN 0.773 nan 8.190 nan 0.000 0.455 602 E N 0.134 120.416 120.200 0.136 0.000 2.401 602 E HA -0.161 4.188 4.350 -0.002 0.000 0.199 602 E C 1.596 178.282 176.600 0.145 0.000 1.023 602 E CA 0.863 57.336 56.400 0.122 0.000 0.859 602 E CB -0.321 29.430 29.700 0.085 0.000 0.780 602 E HN 0.588 nan 8.360 nan 0.000 0.523 603 D N -0.738 119.781 120.400 0.198 0.000 2.363 603 D HA -0.021 4.618 4.640 -0.002 0.000 0.220 603 D C -0.387 176.084 176.300 0.284 0.000 0.994 603 D CA 0.487 54.624 54.000 0.229 0.000 0.890 603 D CB 0.105 41.091 40.800 0.311 0.000 0.906 603 D HN 0.077 nan 8.370 nan 0.000 0.530 604 F N 0.708 120.707 119.950 0.082 0.000 2.508 604 F HA 0.306 4.832 4.527 -0.002 0.000 0.325 604 F C -1.705 174.147 175.800 0.087 0.000 1.090 604 F CA -2.357 55.692 58.000 0.081 0.000 0.945 604 F CB 2.220 41.273 39.000 0.089 0.000 1.156 604 F HN -0.297 nan 8.300 nan 0.000 0.463 605 P HA 0.028 nan 4.420 nan 0.000 0.230 605 P C -0.265 176.679 177.300 -0.592 0.000 1.168 605 P CA 0.790 63.257 63.100 -1.056 0.000 0.793 605 P CB 1.059 32.443 31.700 -0.526 0.000 0.851 606 V N 1.382 121.143 119.914 -0.256 0.000 2.823 606 V HA 0.537 4.656 4.120 -0.002 0.000 0.312 606 V C -0.546 175.500 176.094 -0.081 0.000 1.072 606 V CA -1.391 60.779 62.300 -0.217 0.000 0.937 606 V CB 2.196 33.838 31.823 -0.302 0.000 1.013 606 V HN -0.037 nan 8.190 nan 0.000 0.430 607 M N 6.778 126.347 119.600 -0.052 0.000 2.238 607 M HA 0.716 5.195 4.480 -0.002 0.000 0.350 607 M C -2.717 173.575 176.300 -0.014 0.000 1.138 607 M CA -1.642 53.669 55.300 0.020 0.000 1.040 607 M CB 1.566 34.218 32.600 0.085 0.000 1.639 607 M HN 0.350 nan 8.290 nan 0.000 0.451 608 P HA 0.069 nan 4.420 nan 0.000 0.269 608 P C -0.465 176.816 177.300 -0.033 0.000 1.209 608 P CA -0.433 62.656 63.100 -0.018 0.000 0.776 608 P CB 0.548 32.244 31.700 -0.007 0.000 0.876 609 V N 2.600 122.486 119.914 -0.048 0.000 2.720 609 V HA -0.092 4.027 4.120 -0.002 0.000 0.307 609 V C 0.771 176.800 176.094 -0.108 0.000 1.071 609 V CA 0.850 63.109 62.300 -0.068 0.000 1.199 609 V CB -0.143 31.650 31.823 -0.051 0.000 0.900 609 V HN 0.582 nan 8.190 nan 0.000 0.494 610 E N 4.308 124.413 120.200 -0.158 0.000 2.165 610 E HA 0.650 4.998 4.350 -0.002 0.000 0.266 610 E C -0.493 175.852 176.600 -0.425 0.000 0.889 610 E CA -0.656 55.566 56.400 -0.297 0.000 0.756 610 E CB 1.481 30.970 29.700 -0.351 0.000 1.131 610 E HN 0.821 nan 8.360 nan 0.000 0.411 611 A N 4.350 126.860 122.820 -0.516 0.000 2.306 611 A HA 0.567 4.886 4.320 -0.002 0.000 0.314 611 A C -1.216 175.830 177.584 -0.896 0.000 1.164 611 A CA -0.376 51.324 52.037 -0.563 0.000 0.822 611 A CB 0.511 19.290 19.000 -0.369 0.000 1.130 611 A HN 0.806 nan 8.150 nan 0.000 0.496 612 H N -0.292 118.517 119.070 -0.435 0.000 2.851 612 H HA 0.674 5.229 4.556 -0.002 0.000 0.372 612 H C -0.802 174.355 175.328 -0.286 0.000 1.158 612 H CA -0.413 55.450 56.048 -0.308 0.000 1.159 612 H CB 1.849 31.461 29.762 -0.251 0.000 1.757 612 H HN 0.775 nan 8.280 nan 0.000 0.546 613 E N 2.231 122.389 120.200 -0.070 0.000 2.343 613 E HA 0.526 4.875 4.350 -0.002 0.000 0.278 613 E C -1.509 175.040 176.600 -0.085 0.000 0.910 613 E CA -0.577 55.768 56.400 -0.092 0.000 0.757 613 E CB 2.102 31.782 29.700 -0.034 0.000 1.218 613 E HN 0.486 nan 8.360 nan 0.000 0.435 614 I N 2.340 122.815 120.570 -0.159 0.000 2.545 614 I HA 0.639 4.808 4.170 -0.002 0.000 0.292 614 I C -0.689 175.343 176.117 -0.143 0.000 1.040 614 I CA -0.765 60.453 61.300 -0.135 0.000 1.068 614 I CB 2.021 39.905 38.000 -0.194 0.000 1.251 614 I HN 0.576 nan 8.210 nan 0.000 0.424 615 A N 7.038 129.813 122.820 -0.076 0.000 2.365 615 A HA 0.883 5.202 4.320 -0.002 0.000 0.318 615 A C -1.071 176.505 177.584 -0.013 0.000 1.091 615 A CA -0.538 51.459 52.037 -0.067 0.000 0.763 615 A CB 1.199 20.175 19.000 -0.040 0.000 1.248 615 A HN 0.666 nan 8.150 nan 0.000 0.442 616 L N 2.393 123.623 121.223 0.012 0.000 2.298 616 L HA 0.657 4.996 4.340 -0.002 0.000 0.284 616 L C -0.616 176.394 176.870 0.234 0.000 1.013 616 L CA -0.785 54.143 54.840 0.148 0.000 0.824 616 L CB 1.373 43.513 42.059 0.135 0.000 1.221 616 L HN 0.459 nan 8.230 nan 0.000 0.418 617 V N 5.596 125.587 119.914 0.129 0.000 2.656 617 V HA 0.589 4.708 4.120 -0.002 0.000 0.307 617 V C -2.162 173.595 176.094 -0.562 0.000 1.051 617 V CA -2.122 60.132 62.300 -0.075 0.000 0.893 617 V CB 3.130 34.951 31.823 -0.003 0.000 0.999 617 V HN 0.512 nan 8.190 nan 0.000 0.426 618 P HA 0.126 nan 4.420 nan 0.000 0.268 618 P C -1.245 175.932 177.300 -0.205 0.000 1.205 618 P CA 0.189 62.698 63.100 -0.985 0.000 0.771 618 P CB 0.396 31.843 31.700 -0.421 0.000 0.858 619 F N 2.644 122.463 119.950 -0.219 0.000 2.771 619 F HA 0.476 5.002 4.527 -0.002 0.000 0.365 619 F C 0.813 176.630 175.800 0.029 0.000 1.169 619 F CA 0.118 58.088 58.000 -0.050 0.000 1.093 619 F CB 0.552 39.534 39.000 -0.031 0.000 1.363 619 F HN 0.644 nan 8.300 nan 0.000 0.496 620 G N 4.413 112.988 108.800 -0.374 0.000 2.198 620 G HA2 -0.401 3.558 3.960 -0.002 0.000 0.260 620 G HA3 -0.401 3.558 3.960 -0.002 0.000 0.260 620 G C 0.544 175.424 174.900 -0.034 0.000 1.025 620 G CA 0.774 45.731 45.100 -0.237 0.000 0.769 620 G HN 0.702 nan 8.290 nan 0.000 0.507 621 F N -0.301 119.547 119.950 -0.169 0.000 2.262 621 F HA 0.525 5.050 4.527 -0.002 0.000 0.292 621 F C 1.242 176.788 175.800 -0.423 0.000 1.081 621 F CA 0.358 58.196 58.000 -0.271 0.000 1.355 621 F CB 0.147 38.951 39.000 -0.328 0.000 1.069 621 F HN 0.083 nan 8.300 nan 0.000 0.506 622 F N 0.847 120.909 119.950 0.186 0.000 2.411 622 F HA 0.222 4.747 4.527 -0.002 0.000 0.324 622 F C 1.157 176.943 175.800 -0.023 0.000 1.086 622 F CA -0.829 57.211 58.000 0.065 0.000 1.028 622 F CB 0.442 39.512 39.000 0.117 0.000 1.284 622 F HN -0.072 nan 8.300 nan 0.000 0.501 623 D N -1.012 119.494 120.400 0.177 0.000 2.349 623 D HA 0.128 4.767 4.640 -0.002 0.000 0.214 623 D C -0.347 175.973 176.300 0.034 0.000 1.063 623 D CA 0.032 54.063 54.000 0.053 0.000 0.847 623 D CB -0.153 40.656 40.800 0.014 0.000 0.933 623 D HN 0.641 nan 8.370 nan 0.000 0.513 624 K N -1.580 118.859 120.400 0.065 0.000 2.842 624 K HA 0.146 4.465 4.320 -0.002 0.000 0.293 624 K C -1.401 175.195 176.600 -0.006 0.000 1.068 624 K CA -1.003 55.285 56.287 0.001 0.000 0.827 624 K CB 0.145 32.623 32.500 -0.037 0.000 1.524 624 K HN -0.114 nan 8.250 nan 0.000 0.368 625 N N 1.677 120.340 118.700 -0.062 0.000 2.411 625 N HA 0.019 4.758 4.740 -0.002 0.000 0.265 625 N C -1.408 174.015 175.510 -0.144 0.000 1.266 625 N CA -1.301 51.698 53.050 -0.085 0.000 0.889 625 N CB 0.702 39.104 38.487 -0.142 0.000 1.069 625 N HN 0.329 nan 8.380 nan 0.000 0.476 626 P HA -0.020 nan 4.420 nan 0.000 0.241 626 P C 0.205 177.389 177.300 -0.193 0.000 1.191 626 P CA 0.509 63.363 63.100 -0.410 0.000 0.771 626 P CB 0.224 31.401 31.700 -0.873 0.000 0.929 627 A N -0.118 122.665 122.820 -0.061 0.000 2.259 627 A HA 0.110 4.428 4.320 -0.002 0.000 0.208 627 A C 1.965 179.580 177.584 0.050 0.000 1.201 627 A CA 0.022 52.087 52.037 0.047 0.000 0.824 627 A CB -1.268 17.834 19.000 0.169 0.000 0.838 627 A HN 0.117 nan 8.150 nan 0.000 0.485 628 L N 0.361 121.552 121.223 -0.054 0.000 2.450 628 L HA -0.152 4.187 4.340 -0.002 0.000 0.224 628 L C 2.392 179.257 176.870 -0.009 0.000 1.149 628 L CA 1.301 56.118 54.840 -0.038 0.000 0.816 628 L CB -0.381 41.627 42.059 -0.086 0.000 0.932 628 L HN 0.579 nan 8.230 nan 0.000 0.449 629 S N -1.874 113.804 115.700 -0.037 0.000 2.603 629 S HA 0.075 4.544 4.470 -0.002 0.000 0.220 629 S C 0.704 175.293 174.600 -0.018 0.000 0.967 629 S CA -0.405 57.768 58.200 -0.047 0.000 0.920 629 S CB -0.373 62.767 63.200 -0.101 0.000 0.773 629 S HN 0.062 nan 8.310 nan 0.000 0.529 630 V N 4.154 124.085 119.914 0.029 0.000 2.530 630 V HA 0.298 4.417 4.120 -0.002 0.000 0.282 630 V C -2.022 174.090 176.094 0.030 0.000 1.048 630 V CA -1.928 60.389 62.300 0.029 0.000 0.997 630 V CB 0.259 32.123 31.823 0.069 0.000 0.987 630 V HN 0.255 nan 8.190 nan 0.000 0.477 631 P HA 0.021 nan 4.420 nan 0.000 0.266 631 P C -0.233 177.067 177.300 0.001 0.000 1.186 631 P CA -0.125 62.978 63.100 0.004 0.000 0.767 631 P CB 0.278 31.976 31.700 -0.004 0.000 0.820 632 Q N 0.997 120.800 119.800 0.005 0.000 2.386 632 Q HA -0.033 4.306 4.340 -0.002 0.000 0.282 632 Q C 1.532 177.512 176.000 -0.033 0.000 1.050 632 Q CA 0.420 56.214 55.803 -0.015 0.000 0.918 632 Q CB 0.387 29.127 28.738 0.003 0.000 1.266 632 Q HN 0.514 nan 8.270 nan 0.000 0.423 633 S N 2.259 117.922 115.700 -0.063 0.000 2.348 633 S HA -0.138 4.330 4.470 -0.002 0.000 0.221 633 S C 0.578 175.163 174.600 -0.026 0.000 1.033 633 S CA 1.543 59.714 58.200 -0.050 0.000 1.010 633 S CB -0.331 62.826 63.200 -0.072 0.000 0.891 633 S HN 0.976 nan 8.310 nan 0.000 0.442 634 T N 0.000 114.540 114.554 -0.023 0.000 3.816 634 T HA 0.000 4.349 4.350 -0.002 0.000 0.228 634 T CA 0.000 62.093 62.100 -0.012 0.000 1.349 634 T CB 0.000 68.864 68.868 -0.007 0.000 0.612 634 T HN 0.000 nan 8.240 nan 0.000 0.658