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 3fcr_1_A DATA FIRST_RESID 0 DATA SEQUENCE GXLKNDQLDQ WDRDNFFHPS THLAQHARGE SANRVIKTAS GVFIEDRDGT DATA SEQUENCE KLLDAFAGLY CVNVGYGRQE IAEAIADQAR ELAYYHSYVG HGTEASITLA DATA SEQUENCE KXILDRAPKN XSKVYFGLGG SDANETNVKL IWYYNNILGR PEKKKIISRW DATA SEQUENCE RGYHGSGLVT GSLTGLELFH KKFDLPVEQV IHTEAPYYFR REDLNQTEEQ DATA SEQUENCE FVAHCVAELE ALIEREGADT IAAFIGEPIL GTGGIVPPPA GYWEAIQTVL DATA SEQUENCE NKHDILLVAD EVVTGFGRLG TXFGSDHYGL EPDIITIAKG LTSAYAPLSG DATA SEQUENCE SIVSDKVWKV LEQGTDENGP IGHGWTYSAH PIGAAAGVAN LKLLDELNLV DATA SEQUENCE SNAGEVGAYL NATXAEALSQ HANVGDVRGE GLLCAVEFVK DRDSRTFFDA DATA SEQUENCE ADKIGPQISA KLLEQDKIIA RAXPQGDILG FAPPFCLTRA EADQVVEGTL DATA SEQUENCE RAVKAVLG 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 0 G HA2 0.000 nan 3.960 nan 0.000 0.244 0 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 0 G C 0.000 174.871 174.900 -0.048 0.000 0.946 0 G CA 0.000 45.078 45.100 -0.038 0.000 0.502 3 K N 1.287 121.618 120.400 -0.115 0.000 2.097 3 K HA -0.081 4.239 4.320 -0.001 0.000 0.205 3 K C 1.471 177.960 176.600 -0.185 0.000 1.050 3 K CA 1.911 58.099 56.287 -0.165 0.000 0.938 3 K CB 0.165 32.593 32.500 -0.120 0.000 0.718 3 K HN 0.225 nan 8.250 nan 0.000 0.442 4 N N 1.677 120.302 118.700 -0.124 0.000 2.120 4 N HA -0.144 4.596 4.740 -0.001 0.000 0.188 4 N C 1.180 176.617 175.510 -0.122 0.000 1.024 4 N CA 1.470 54.456 53.050 -0.106 0.000 0.852 4 N CB -0.380 38.066 38.487 -0.069 0.000 1.003 4 N HN 0.258 nan 8.380 nan 0.000 0.424 5 D N 0.239 120.567 120.400 -0.121 0.000 2.183 5 D HA -0.118 4.522 4.640 -0.001 0.000 0.203 5 D C 1.827 178.025 176.300 -0.170 0.000 0.969 5 D CA 0.581 54.511 54.000 -0.116 0.000 0.842 5 D CB -0.173 40.574 40.800 -0.089 0.000 0.957 5 D HN 0.401 nan 8.370 nan 0.000 0.484 6 Q N 0.080 119.721 119.800 -0.264 0.000 2.079 6 Q HA -0.067 4.273 4.340 -0.001 0.000 0.200 6 Q C 2.296 177.898 176.000 -0.663 0.000 0.974 6 Q CA 0.628 56.154 55.803 -0.460 0.000 0.840 6 Q CB -0.022 28.378 28.738 -0.563 0.000 0.898 6 Q HN 0.246 nan 8.270 nan 0.000 0.430 7 L N 0.874 121.787 121.223 -0.516 0.000 2.012 7 L HA -0.249 4.090 4.340 -0.001 0.000 0.210 7 L C 2.027 178.869 176.870 -0.047 0.000 1.073 7 L CA 1.402 56.061 54.840 -0.302 0.000 0.748 7 L CB -0.434 41.539 42.059 -0.142 0.000 0.891 7 L HN 0.248 nan 8.230 nan 0.000 0.431 8 D N -0.593 119.772 120.400 -0.058 0.000 2.123 8 D HA -0.266 4.374 4.640 -0.001 0.000 0.196 8 D C 2.076 178.391 176.300 0.024 0.000 0.992 8 D CA 1.243 55.239 54.000 -0.007 0.000 0.833 8 D CB -0.213 40.557 40.800 -0.049 0.000 0.954 8 D HN 0.402 nan 8.370 nan 0.000 0.455 9 Q N -0.539 119.261 119.800 -0.000 0.000 2.079 9 Q HA -0.155 4.185 4.340 -0.001 0.000 0.200 9 Q C 1.897 178.048 176.000 0.253 0.000 0.974 9 Q CA 1.045 56.892 55.803 0.072 0.000 0.840 9 Q CB -0.135 28.624 28.738 0.035 0.000 0.898 9 Q HN 0.287 nan 8.270 nan 0.000 0.430 10 W N 1.622 122.965 121.300 0.070 0.000 2.363 10 W HA -0.140 4.520 4.660 -0.001 0.000 0.296 10 W C 1.991 178.610 176.519 0.166 0.000 1.212 10 W CA 1.022 58.426 57.345 0.098 0.000 1.260 10 W CB -1.132 28.381 29.460 0.088 0.000 1.131 10 W HN 0.369 nan 8.180 nan 0.000 0.530 11 D N 0.053 120.727 120.400 0.455 0.000 2.087 11 D HA -0.176 4.464 4.640 -0.001 0.000 0.192 11 D C 2.129 178.701 176.300 0.454 0.000 0.993 11 D CA 1.772 56.070 54.000 0.497 0.000 0.828 11 D CB -0.146 40.897 40.800 0.406 0.000 0.968 11 D HN 0.063 nan 8.370 nan 0.000 0.448 12 R N -0.116 120.514 120.500 0.217 0.000 2.096 12 R HA -0.104 4.236 4.340 -0.001 0.000 0.235 12 R C 1.695 178.107 176.300 0.188 0.000 1.127 12 R CA 1.480 57.634 56.100 0.090 0.000 0.968 12 R CB -0.176 30.069 30.300 -0.091 0.000 0.861 12 R HN 0.262 nan 8.270 nan 0.000 0.440 13 D N -0.549 119.969 120.400 0.197 0.000 2.317 13 D HA -0.022 4.618 4.640 -0.001 0.000 0.211 13 D C 0.904 177.307 176.300 0.172 0.000 0.966 13 D CA 0.864 54.964 54.000 0.166 0.000 0.876 13 D CB 0.113 41.006 40.800 0.155 0.000 0.927 13 D HN 0.254 nan 8.370 nan 0.000 0.519 14 N N -1.094 117.747 118.700 0.234 0.000 2.075 14 N HA -0.023 4.717 4.740 -0.001 0.000 0.226 14 N C -0.586 175.095 175.510 0.285 0.000 1.343 14 N CA -0.226 52.940 53.050 0.193 0.000 0.881 14 N CB 1.392 39.934 38.487 0.091 0.000 1.100 14 N HN -0.018 nan 8.380 nan 0.000 0.495 15 F N 2.478 122.546 119.950 0.198 0.000 2.375 15 F HA 0.416 4.942 4.527 -0.001 0.000 0.361 15 F C -0.955 175.001 175.800 0.259 0.000 1.117 15 F CA -2.004 56.090 58.000 0.157 0.000 1.037 15 F CB 0.326 39.406 39.000 0.134 0.000 1.192 15 F HN -0.192 nan 8.300 nan 0.000 0.452 16 F N 7.469 127.687 119.950 0.446 0.000 2.368 16 F HA 0.333 4.859 4.527 -0.001 0.000 0.362 16 F C -0.114 175.796 175.800 0.184 0.000 1.137 16 F CA -0.855 57.286 58.000 0.236 0.000 1.161 16 F CB -0.320 38.777 39.000 0.162 0.000 1.265 16 F HN 0.437 nan 8.300 nan 0.000 0.530 17 H N 6.532 125.760 119.070 0.263 0.000 2.505 17 H HA 0.269 4.824 4.556 -0.001 0.000 0.351 17 H C -2.019 173.405 175.328 0.159 0.000 1.151 17 H CA -1.363 54.680 56.048 -0.009 0.000 1.339 17 H CB 1.164 30.684 29.762 -0.403 0.000 1.483 17 H HN 0.389 nan 8.280 nan 0.000 0.558 18 P HA -0.081 nan 4.420 nan 0.000 0.272 18 P C 0.125 177.508 177.300 0.140 0.000 1.230 18 P CA -0.124 63.070 63.100 0.156 0.000 0.788 18 P CB 0.703 32.466 31.700 0.106 0.000 0.949 19 S N -0.356 115.424 115.700 0.132 0.000 3.447 19 S HA -0.122 4.347 4.470 -0.001 0.000 0.371 19 S C -0.315 174.308 174.600 0.039 0.000 0.951 19 S CA 1.066 59.312 58.200 0.077 0.000 1.269 19 S CB -1.602 61.641 63.200 0.072 0.000 0.919 19 S HN 0.721 nan 8.310 nan 0.000 0.516 20 T N 2.613 117.195 114.554 0.047 0.000 2.916 20 T HA 0.263 4.613 4.350 -0.001 0.000 0.305 20 T C -0.837 173.872 174.700 0.017 0.000 1.119 20 T CA -0.614 61.487 62.100 0.002 0.000 1.008 20 T CB 1.196 70.012 68.868 -0.086 0.000 1.129 20 T HN 0.391 nan 8.240 nan 0.000 0.480 21 H N 3.736 122.779 119.070 -0.045 0.000 3.232 21 H HA 0.201 4.757 4.556 -0.001 0.000 0.254 21 H C 1.074 176.381 175.328 -0.036 0.000 1.213 21 H CA -0.227 55.799 56.048 -0.037 0.000 1.503 21 H CB -0.073 29.670 29.762 -0.032 0.000 1.563 21 H HN 0.516 nan 8.280 nan 0.000 0.490 22 L N 3.667 124.903 121.223 0.021 0.000 2.046 22 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 22 L C 2.619 179.542 176.870 0.089 0.000 1.077 22 L CA 1.344 56.174 54.840 -0.017 0.000 0.747 22 L CB -0.509 41.414 42.059 -0.227 0.000 0.896 22 L HN 0.551 nan 8.230 nan 0.000 0.432 23 A N -0.545 122.372 122.820 0.163 0.000 1.898 23 A HA -0.220 4.100 4.320 -0.001 0.000 0.216 23 A C 2.245 179.892 177.584 0.106 0.000 1.181 23 A CA 1.391 53.508 52.037 0.133 0.000 0.620 23 A CB -0.428 18.659 19.000 0.145 0.000 0.819 23 A HN 0.453 nan 8.150 nan 0.000 0.442 24 Q N -1.747 118.121 119.800 0.113 0.000 2.119 24 Q HA -0.207 4.133 4.340 -0.001 0.000 0.201 24 Q C 2.033 178.021 176.000 -0.020 0.000 0.972 24 Q CA 1.717 57.466 55.803 -0.090 0.000 0.847 24 Q CB -0.252 28.266 28.738 -0.366 0.000 0.903 24 Q HN 0.938 nan 8.270 nan 0.000 0.433 25 H N 0.051 119.096 119.070 -0.043 0.000 2.326 25 H HA -0.025 4.531 4.556 -0.001 0.000 0.301 25 H C 1.863 177.172 175.328 -0.031 0.000 1.081 25 H CA 1.663 57.672 56.048 -0.066 0.000 1.334 25 H CB 0.008 29.710 29.762 -0.099 0.000 1.385 25 H HN 0.245 nan 8.280 nan 0.000 0.504 26 A N 0.708 123.590 122.820 0.103 0.000 1.972 26 A HA -0.117 4.203 4.320 -0.001 0.000 0.219 26 A C 2.256 179.830 177.584 -0.015 0.000 1.169 26 A CA 1.444 53.514 52.037 0.055 0.000 0.635 26 A CB -0.298 18.748 19.000 0.077 0.000 0.810 26 A HN 0.472 nan 8.150 nan 0.000 0.446 27 R N -1.550 118.934 120.500 -0.026 0.000 2.299 27 R HA 0.157 4.496 4.340 -0.001 0.000 0.197 27 R C 1.244 177.503 176.300 -0.069 0.000 0.971 27 R CA 0.541 56.618 56.100 -0.039 0.000 1.030 27 R CB -0.087 30.194 30.300 -0.032 0.000 0.932 27 R HN 0.690 nan 8.270 nan 0.000 0.477 28 G N 1.338 110.071 108.800 -0.112 0.000 2.143 28 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.248 28 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.248 28 G C 0.505 175.339 174.900 -0.109 0.000 0.991 28 G CA 0.528 45.553 45.100 -0.126 0.000 0.689 28 G HN 0.441 nan 8.290 nan 0.000 0.522 29 E N 0.030 120.166 120.200 -0.107 0.000 2.190 29 E HA 0.143 4.492 4.350 -0.001 0.000 0.191 29 E C 1.568 178.100 176.600 -0.113 0.000 0.978 29 E CA 0.832 57.168 56.400 -0.106 0.000 0.839 29 E CB 0.119 29.749 29.700 -0.118 0.000 0.787 29 E HN 0.684 nan 8.360 nan 0.000 0.473 30 S N 0.435 116.065 115.700 -0.117 0.000 2.565 30 S HA 0.652 5.122 4.470 -0.001 0.000 0.290 30 S C -0.058 174.486 174.600 -0.092 0.000 1.150 30 S CA -1.016 57.127 58.200 -0.094 0.000 1.058 30 S CB 1.903 65.061 63.200 -0.070 0.000 1.032 30 S HN 0.148 nan 8.310 nan 0.000 0.510 31 A N 2.684 125.460 122.820 -0.073 0.000 2.388 31 A HA 0.481 4.800 4.320 -0.001 0.000 0.257 31 A C 0.560 178.112 177.584 -0.054 0.000 1.095 31 A CA -0.763 51.232 52.037 -0.071 0.000 0.791 31 A CB -0.246 18.719 19.000 -0.058 0.000 1.029 31 A HN 0.953 nan 8.150 nan 0.000 0.489 32 N N 1.872 120.534 118.700 -0.064 0.000 2.485 32 N HA 0.622 5.361 4.740 -0.001 0.000 0.280 32 N C -0.591 174.908 175.510 -0.019 0.000 1.205 32 N CA -0.697 52.339 53.050 -0.024 0.000 0.959 32 N CB 1.452 39.940 38.487 0.001 0.000 1.206 32 N HN 0.689 nan 8.380 nan 0.000 0.545 33 R N -0.180 120.321 120.500 0.001 0.000 2.535 33 R HA 0.428 4.767 4.340 -0.001 0.000 0.274 33 R C -1.996 174.326 176.300 0.038 0.000 1.090 33 R CA -0.646 55.458 56.100 0.007 0.000 0.930 33 R CB 1.575 31.869 30.300 -0.009 0.000 1.223 33 R HN 0.412 nan 8.270 nan 0.000 0.441 34 V N 6.051 125.987 119.914 0.037 0.000 2.334 34 V HA 0.406 4.525 4.120 -0.001 0.000 0.281 34 V C 0.158 176.272 176.094 0.034 0.000 1.016 34 V CA -0.874 61.460 62.300 0.056 0.000 0.832 34 V CB 1.325 33.184 31.823 0.059 0.000 0.999 34 V HN 0.579 nan 8.190 nan 0.000 0.439 35 I N 4.324 124.917 120.570 0.037 0.000 2.474 35 I HA 0.337 4.507 4.170 -0.001 0.000 0.287 35 I C 0.922 177.049 176.117 0.017 0.000 1.048 35 I CA 0.255 61.563 61.300 0.013 0.000 1.383 35 I CB 1.174 39.176 38.000 0.003 0.000 1.412 35 I HN 0.693 nan 8.210 nan 0.000 0.531 36 K N 2.756 123.157 120.400 0.002 0.000 2.225 36 K HA 0.107 4.427 4.320 -0.001 0.000 0.204 36 K C 0.623 177.226 176.600 0.005 0.000 1.047 36 K CA 0.576 56.867 56.287 0.007 0.000 0.970 36 K CB 0.696 33.197 32.500 0.001 0.000 0.939 36 K HN 0.717 nan 8.250 nan 0.000 0.472 37 T N -1.329 113.218 114.554 -0.012 0.000 2.731 37 T HA 0.726 5.076 4.350 -0.001 0.000 0.300 37 T C -2.151 172.519 174.700 -0.051 0.000 1.283 37 T CA -0.363 61.732 62.100 -0.008 0.000 1.005 37 T CB 1.835 70.707 68.868 0.006 0.000 1.420 37 T HN 0.245 nan 8.240 nan 0.000 0.503 38 A N 0.850 123.652 122.820 -0.031 0.000 2.605 38 A HA 0.801 5.121 4.320 -0.001 0.000 0.294 38 A C -1.045 176.573 177.584 0.057 0.000 1.062 38 A CA -0.408 51.567 52.037 -0.104 0.000 0.682 38 A CB 1.509 20.271 19.000 -0.397 0.000 1.278 38 A HN 1.035 nan 8.150 nan 0.000 0.410 39 S N -0.174 115.583 115.700 0.095 0.000 2.563 39 S HA 0.632 5.102 4.470 -0.001 0.000 0.279 39 S C 0.486 175.239 174.600 0.254 0.000 1.155 39 S CA 0.905 59.215 58.200 0.184 0.000 0.928 39 S CB 0.742 64.013 63.200 0.118 0.000 1.107 39 S HN 2.904 nan 8.310 nan 0.000 0.462 40 G N 2.771 111.730 108.800 0.266 0.000 2.574 40 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.301 40 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.301 40 G C 0.846 175.917 174.900 0.285 0.000 1.166 40 G CA 1.081 46.333 45.100 0.252 0.000 0.971 40 G HN 1.978 nan 8.290 nan 0.000 0.542 41 V N -2.219 117.816 119.914 0.203 0.000 3.483 41 V HA 0.729 4.848 4.120 -0.001 0.000 0.301 41 V C 0.462 176.418 176.094 -0.230 0.000 1.389 41 V CA 0.213 62.525 62.300 0.020 0.000 1.101 41 V CB -0.377 31.359 31.823 -0.144 0.000 0.971 41 V HN 0.571 nan 8.190 nan 0.000 0.434 42 F N 1.860 121.824 119.950 0.023 0.000 2.480 42 F HA 0.763 5.290 4.527 -0.000 0.000 0.329 42 F C 0.162 175.780 175.800 -0.304 0.000 1.091 42 F CA -1.273 56.669 58.000 -0.096 0.000 0.972 42 F CB 1.848 40.819 39.000 -0.048 0.000 1.150 42 F HN 0.092 nan 8.300 nan 0.000 0.467 43 I N -0.691 119.780 120.570 -0.165 0.000 2.863 43 I HA 0.725 4.894 4.170 -0.001 0.000 0.311 43 I C -1.117 174.955 176.117 -0.075 0.000 1.026 43 I CA -0.710 60.425 61.300 -0.275 0.000 1.077 43 I CB 2.277 40.050 38.000 -0.378 0.000 1.262 43 I HN 0.644 nan 8.210 nan 0.000 0.461 44 E N 2.659 122.813 120.200 -0.077 0.000 2.278 44 E HA 0.232 4.582 4.350 -0.001 0.000 0.272 44 E C -1.646 174.936 176.600 -0.030 0.000 0.890 44 E CA -0.698 55.682 56.400 -0.034 0.000 0.770 44 E CB 1.796 31.479 29.700 -0.028 0.000 1.212 44 E HN 0.806 nan 8.360 nan 0.000 0.415 45 D N 2.903 123.292 120.400 -0.019 0.000 0.000 45 D HA 0.016 4.655 4.640 -0.001 0.000 0.000 45 D C 1.205 177.498 176.300 -0.010 0.000 0.000 45 D CA -0.351 53.642 54.000 -0.013 0.000 0.000 45 D CB 0.527 41.321 40.800 -0.010 0.000 0.000 45 D HN 0.577 nan 8.370 nan 0.000 0.000 46 R N -0.331 120.165 120.500 -0.006 0.000 2.235 46 R HA -0.088 4.252 4.340 -0.001 0.000 0.213 46 R C -0.130 176.162 176.300 -0.013 0.000 1.059 46 R CA 0.863 56.959 56.100 -0.007 0.000 0.997 46 R CB -0.369 29.928 30.300 -0.004 0.000 0.884 46 R HN 0.306 nan 8.270 nan 0.000 0.462 47 D N 0.426 120.817 120.400 -0.015 0.000 2.355 47 D HA 0.079 4.719 4.640 -0.001 0.000 0.218 47 D C 1.074 177.364 176.300 -0.018 0.000 1.004 47 D CA 1.210 55.199 54.000 -0.018 0.000 0.880 47 D CB 0.536 41.324 40.800 -0.019 0.000 0.911 47 D HN 0.571 nan 8.370 nan 0.000 0.528 48 G N 0.444 109.234 108.800 -0.017 0.000 2.176 48 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.232 48 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.232 48 G C 0.517 175.406 174.900 -0.020 0.000 0.986 48 G CA 0.201 45.290 45.100 -0.019 0.000 0.643 48 G HN 0.289 nan 8.290 nan 0.000 0.522 49 T N 1.967 116.512 114.554 -0.015 0.000 2.853 49 T HA 0.424 4.774 4.350 -0.001 0.000 0.298 49 T C 0.373 175.073 174.700 0.001 0.000 0.978 49 T CA 0.439 62.534 62.100 -0.008 0.000 1.152 49 T CB 1.027 69.891 68.868 -0.006 0.000 0.914 49 T HN 0.369 nan 8.240 nan 0.000 0.539 50 K N 3.466 123.873 120.400 0.011 0.000 2.240 50 K HA 0.502 4.822 4.320 -0.001 0.000 0.271 50 K C -0.637 176.044 176.600 0.135 0.000 1.018 50 K CA -0.519 55.797 56.287 0.048 0.000 0.874 50 K CB 1.250 33.734 32.500 -0.026 0.000 1.098 50 K HN 0.445 nan 8.250 nan 0.000 0.458 51 L N 4.067 125.390 121.223 0.167 0.000 2.341 51 L HA 0.429 4.769 4.340 -0.001 0.000 0.278 51 L C -0.347 176.604 176.870 0.136 0.000 1.005 51 L CA -1.007 53.916 54.840 0.139 0.000 0.818 51 L CB 1.559 43.640 42.059 0.037 0.000 1.259 51 L HN 0.493 nan 8.230 nan 0.000 0.418 52 L N 3.273 124.510 121.223 0.023 0.000 2.385 52 L HA 0.173 4.512 4.340 -0.001 0.000 0.281 52 L C -0.176 176.575 176.870 -0.198 0.000 1.106 52 L CA -0.170 54.419 54.840 -0.417 0.000 0.856 52 L CB 0.476 42.319 42.059 -0.360 0.000 1.186 52 L HN 0.566 nan 8.230 nan 0.000 0.453 53 D N 4.555 124.839 120.400 -0.193 0.000 2.453 53 D HA 0.188 4.827 4.640 -0.001 0.000 0.223 53 D C 0.753 177.074 176.300 0.034 0.000 1.183 53 D CA 0.037 54.025 54.000 -0.020 0.000 0.933 53 D CB 1.511 42.342 40.800 0.052 0.000 1.038 53 D HN 0.618 nan 8.370 nan 0.000 0.513 54 A N 3.211 126.080 122.820 0.081 0.000 2.259 54 A HA 0.037 4.357 4.320 -0.001 0.000 0.208 54 A C 1.105 178.808 177.584 0.197 0.000 1.201 54 A CA -0.010 52.123 52.037 0.160 0.000 0.824 54 A CB -0.443 18.740 19.000 0.306 0.000 0.838 54 A HN 0.541 nan 8.150 nan 0.000 0.485 55 F N -0.944 118.986 119.950 -0.033 0.000 2.706 55 F HA 0.440 4.967 4.527 -0.001 0.000 0.308 55 F C 1.361 177.104 175.800 -0.094 0.000 1.095 55 F CA 0.078 58.007 58.000 -0.118 0.000 1.244 55 F CB 0.463 39.337 39.000 -0.209 0.000 1.063 55 F HN 0.329 nan 8.300 nan 0.000 0.582 56 A N 0.484 123.327 122.820 0.039 0.000 2.667 56 A HA 0.086 4.405 4.320 -0.001 0.000 0.298 56 A C 1.575 179.157 177.584 -0.004 0.000 1.483 56 A CA 1.084 53.117 52.037 -0.007 0.000 0.738 56 A CB -1.949 16.981 19.000 -0.118 0.000 1.067 56 A HN 1.604 nan 8.150 nan 0.000 0.451 57 G N -1.521 107.366 108.800 0.145 0.000 3.377 57 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.304 57 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.304 57 G C 0.245 175.232 174.900 0.146 0.000 1.366 57 G CA 0.437 45.619 45.100 0.137 0.000 1.020 57 G HN 1.682 nan 8.290 nan 0.000 0.621 58 L N 0.119 121.404 121.223 0.103 0.000 2.480 58 L HA 0.464 4.804 4.340 -0.001 0.000 0.253 58 L C -0.193 176.767 176.870 0.149 0.000 1.324 58 L CA -0.684 54.250 54.840 0.156 0.000 0.916 58 L CB 0.740 42.924 42.059 0.207 0.000 1.160 58 L HN 0.698 nan 8.230 nan 0.000 0.503 59 Y N -1.070 119.132 120.300 -0.165 0.000 3.721 59 Y HA -0.355 4.195 4.550 -0.001 0.000 0.218 59 Y C 1.470 177.295 175.900 -0.125 0.000 1.188 59 Y CA 0.752 58.709 58.100 -0.239 0.000 1.607 59 Y CB -2.548 35.803 38.460 -0.182 0.000 1.496 59 Y HN 0.736 nan 8.280 nan 0.000 0.626 60 C N -5.965 113.330 119.300 -0.009 0.000 3.685 60 C HA 0.504 4.964 4.460 -0.001 0.000 0.513 60 C C 1.023 175.908 174.990 -0.175 0.000 1.448 60 C CA 0.137 59.124 59.018 -0.051 0.000 2.275 60 C CB -0.397 27.339 27.740 -0.006 0.000 3.373 60 C HN 0.137 nan 8.230 nan 0.000 0.627 61 V N 4.479 124.232 119.914 -0.268 0.000 1.973 61 V HA 0.130 4.250 4.120 -0.001 0.000 0.255 61 V C 0.823 176.673 176.094 -0.407 0.000 1.605 61 V CA 0.600 62.640 62.300 -0.432 0.000 1.542 61 V CB -1.273 30.042 31.823 -0.846 0.000 1.504 61 V HN 0.474 nan 8.190 nan 0.000 0.505 62 N N 2.203 120.641 118.700 -0.437 0.000 2.106 62 N HA -0.131 4.609 4.740 -0.001 0.000 0.188 62 N C 1.994 177.085 175.510 -0.697 0.000 1.029 62 N CA 1.598 54.155 53.050 -0.821 0.000 0.848 62 N CB -0.306 37.465 38.487 -1.195 0.000 1.007 62 N HN 0.611 nan 8.380 nan 0.000 0.423 63 V N -3.110 116.576 119.914 -0.380 0.000 2.913 63 V HA 0.278 4.397 4.120 -0.001 0.000 0.260 63 V C 1.062 177.107 176.094 -0.082 0.000 1.098 63 V CA 0.707 62.899 62.300 -0.181 0.000 1.121 63 V CB -1.280 30.478 31.823 -0.109 0.000 0.714 63 V HN 0.364 nan 8.190 nan 0.000 0.487 64 G N -1.488 107.244 108.800 -0.113 0.000 2.497 64 G HA2 -0.060 3.899 3.960 -0.001 0.000 0.686 64 G HA3 -0.060 3.899 3.960 -0.001 0.000 0.686 64 G C -0.911 173.987 174.900 -0.005 0.000 1.288 64 G CA -0.466 44.608 45.100 -0.043 0.000 0.899 64 G HN 0.357 nan 8.290 nan 0.000 0.608 65 Y N 0.199 120.546 120.300 0.079 0.000 2.298 65 Y HA 0.421 4.971 4.550 -0.001 0.000 0.329 65 Y C 1.741 177.730 175.900 0.149 0.000 1.293 65 Y CA 1.310 59.461 58.100 0.085 0.000 1.388 65 Y CB 1.361 39.843 38.460 0.036 0.000 1.309 65 Y HN 2.096 nan 8.280 nan 0.000 0.544 66 G N 1.336 110.344 108.800 0.347 0.000 2.225 66 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.267 66 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.267 66 G C -0.111 174.901 174.900 0.186 0.000 1.024 66 G CA -0.478 44.767 45.100 0.241 0.000 0.784 66 G HN 0.351 nan 8.290 nan 0.000 0.507 67 R N 0.270 120.893 120.500 0.206 0.000 2.272 67 R HA 0.218 4.558 4.340 -0.001 0.000 0.334 67 R C 1.360 177.626 176.300 -0.057 0.000 1.117 67 R CA -0.326 55.780 56.100 0.009 0.000 0.966 67 R CB 0.746 30.962 30.300 -0.141 0.000 1.049 67 R HN 0.377 nan 8.270 nan 0.000 0.477 68 Q N 1.503 121.295 119.800 -0.013 0.000 2.369 68 Q HA -0.112 4.227 4.340 -0.001 0.000 0.206 68 Q C 0.838 176.800 176.000 -0.062 0.000 0.963 68 Q CA 1.035 56.829 55.803 -0.016 0.000 0.894 68 Q CB 0.339 29.081 28.738 0.008 0.000 0.965 68 Q HN 0.484 nan 8.270 nan 0.000 0.475 69 E N 0.606 120.750 120.200 -0.093 0.000 2.118 69 E HA -0.122 4.227 4.350 -0.001 0.000 0.195 69 E C 1.859 178.364 176.600 -0.157 0.000 0.992 69 E CA 0.963 57.298 56.400 -0.108 0.000 0.804 69 E CB -0.139 29.495 29.700 -0.110 0.000 0.741 69 E HN 0.382 nan 8.360 nan 0.000 0.458 70 I N 0.114 120.521 120.570 -0.271 0.000 2.400 70 I HA -0.083 4.087 4.170 -0.001 0.000 0.248 70 I C 2.314 178.311 176.117 -0.201 0.000 1.109 70 I CA 0.664 61.752 61.300 -0.354 0.000 1.425 70 I CB -0.339 37.176 38.000 -0.808 0.000 1.094 70 I HN 0.070 nan 8.210 nan 0.000 0.425 71 A N 0.898 123.643 122.820 -0.126 0.000 1.908 71 A HA -0.210 4.110 4.320 -0.001 0.000 0.218 71 A C 2.199 179.777 177.584 -0.011 0.000 1.181 71 A CA 1.688 53.731 52.037 0.009 0.000 0.627 71 A CB -0.411 18.626 19.000 0.061 0.000 0.818 71 A HN 0.343 nan 8.150 nan 0.000 0.445 72 E N -0.271 119.909 120.200 -0.034 0.000 2.152 72 E HA -0.009 4.341 4.350 -0.001 0.000 0.192 72 E C 2.257 178.836 176.600 -0.034 0.000 0.983 72 E CA 1.047 57.431 56.400 -0.027 0.000 0.818 72 E CB -0.581 29.103 29.700 -0.027 0.000 0.758 72 E HN 0.592 nan 8.360 nan 0.000 0.467 73 A N 1.004 123.792 122.820 -0.054 0.000 1.969 73 A HA -0.097 4.223 4.320 -0.001 0.000 0.218 73 A C 2.277 179.839 177.584 -0.036 0.000 1.169 73 A CA 0.821 52.827 52.037 -0.053 0.000 0.635 73 A CB -0.477 18.476 19.000 -0.078 0.000 0.810 73 A HN 0.154 nan 8.150 nan 0.000 0.445 74 I N -0.536 120.018 120.570 -0.028 0.000 2.286 74 I HA -0.203 3.967 4.170 -0.001 0.000 0.245 74 I C 2.956 179.074 176.117 0.002 0.000 1.104 74 I CA 0.880 62.177 61.300 -0.006 0.000 1.397 74 I CB -0.272 37.736 38.000 0.013 0.000 1.072 74 I HN 0.344 nan 8.210 nan 0.000 0.417 75 A N 0.610 123.430 122.820 0.000 0.000 1.902 75 A HA -0.243 4.076 4.320 -0.001 0.000 0.217 75 A C 1.940 179.523 177.584 -0.001 0.000 1.181 75 A CA 2.090 54.128 52.037 0.003 0.000 0.623 75 A CB -0.592 18.410 19.000 0.003 0.000 0.818 75 A HN 0.340 nan 8.150 nan 0.000 0.443 76 D N -1.007 119.388 120.400 -0.008 0.000 2.117 76 D HA -0.144 4.496 4.640 -0.001 0.000 0.197 76 D C 2.101 178.395 176.300 -0.009 0.000 0.987 76 D CA 1.746 55.740 54.000 -0.011 0.000 0.829 76 D CB -0.353 40.436 40.800 -0.018 0.000 0.961 76 D HN 0.521 nan 8.370 nan 0.000 0.460 77 Q N 0.927 120.722 119.800 -0.009 0.000 2.046 77 Q HA -0.012 4.327 4.340 -0.001 0.000 0.200 77 Q C 1.981 177.985 176.000 0.007 0.000 0.975 77 Q CA 1.915 57.715 55.803 -0.005 0.000 0.836 77 Q CB -0.580 28.155 28.738 -0.005 0.000 0.896 77 Q HN 0.166 nan 8.270 nan 0.000 0.428 78 A N 0.572 123.402 122.820 0.017 0.000 1.948 78 A HA -0.256 4.064 4.320 -0.001 0.000 0.220 78 A C 2.095 179.689 177.584 0.018 0.000 1.177 78 A CA 1.820 53.873 52.037 0.026 0.000 0.636 78 A CB -0.518 18.497 19.000 0.024 0.000 0.815 78 A HN 0.413 nan 8.150 nan 0.000 0.449 79 R N -1.139 119.366 120.500 0.008 0.000 2.073 79 R HA -0.063 4.277 4.340 -0.001 0.000 0.229 79 R C 2.327 178.628 176.300 0.001 0.000 1.120 79 R CA 1.330 57.433 56.100 0.005 0.000 0.967 79 R CB -0.243 30.057 30.300 0.000 0.000 0.862 79 R HN 0.769 nan 8.270 nan 0.000 0.436 80 E N 0.294 120.491 120.200 -0.004 0.000 2.051 80 E HA -0.072 4.277 4.350 -0.001 0.000 0.189 80 E C -0.312 176.280 176.600 -0.012 0.000 0.979 80 E CA 0.746 57.139 56.400 -0.011 0.000 0.803 80 E CB 0.434 30.123 29.700 -0.017 0.000 0.761 80 E HN -0.026 nan 8.360 nan 0.000 0.451 81 L N -0.504 120.714 121.223 -0.009 0.000 2.811 81 L HA 0.321 4.661 4.340 -0.001 0.000 0.251 81 L C 0.027 176.898 176.870 0.002 0.000 0.971 81 L CA 0.042 54.877 54.840 -0.008 0.000 0.990 81 L CB 0.834 42.872 42.059 -0.034 0.000 1.320 81 L HN 0.022 nan 8.230 nan 0.000 0.473 82 A N 4.285 127.126 122.820 0.035 0.000 1.902 82 A HA 0.005 4.325 4.320 -0.001 0.000 0.217 82 A C 0.270 177.871 177.584 0.028 0.000 1.181 82 A CA 1.819 53.897 52.037 0.068 0.000 0.623 82 A CB -0.179 18.880 19.000 0.098 0.000 0.818 82 A HN 0.831 nan 8.150 nan 0.000 0.443 83 Y N -2.505 117.716 120.300 -0.132 0.000 2.442 83 Y HA 0.534 5.083 4.550 -0.001 0.000 0.330 83 Y C -1.616 174.269 175.900 -0.025 0.000 1.100 83 Y CA -1.447 56.518 58.100 -0.225 0.000 1.034 83 Y CB 0.983 39.294 38.460 -0.249 0.000 1.285 83 Y HN 0.186 nan 8.280 nan 0.000 0.440 84 Y N 5.050 124.790 120.300 -0.934 0.000 2.581 84 Y HA 0.439 4.989 4.550 -0.001 0.000 0.345 84 Y C -0.504 174.602 175.900 -1.324 0.000 1.036 84 Y CA -1.019 56.448 58.100 -1.055 0.000 1.042 84 Y CB 1.039 39.188 38.460 -0.519 0.000 1.289 84 Y HN 0.872 nan 8.280 nan 0.000 0.471 85 H N -0.377 117.750 119.070 -1.572 0.000 2.730 85 H HA 0.362 4.917 4.556 -0.000 0.000 0.376 85 H C 0.324 175.492 175.328 -0.268 0.000 1.299 85 H CA 0.001 55.586 56.048 -0.771 0.000 1.447 85 H CB 0.675 30.019 29.762 -0.696 0.000 1.493 85 H HN 0.406 nan 8.280 nan 0.000 0.619 86 S N -0.503 115.397 115.700 0.334 0.000 2.663 86 S HA 0.164 4.634 4.470 -0.001 0.000 0.243 86 S C -0.523 174.384 174.600 0.511 0.000 1.009 86 S CA -0.741 57.687 58.200 0.379 0.000 0.988 86 S CB -0.577 62.769 63.200 0.243 0.000 0.896 86 S HN 0.458 nan 8.310 nan 0.000 0.502 87 Y N 1.745 122.222 120.300 0.295 0.000 2.457 87 Y HA 0.292 4.842 4.550 -0.001 0.000 0.341 87 Y C 1.355 177.381 175.900 0.209 0.000 1.240 87 Y CA -1.099 57.030 58.100 0.049 0.000 1.437 87 Y CB 0.255 38.481 38.460 -0.388 0.000 1.328 87 Y HN 0.082 nan 8.280 nan 0.000 0.588 88 V N 1.700 121.773 119.914 0.265 0.000 5.949 88 V HA -0.269 3.851 4.120 -0.001 0.000 0.287 88 V C 1.162 177.493 176.094 0.396 0.000 0.603 88 V CA 1.231 63.700 62.300 0.282 0.000 0.608 88 V CB -2.103 29.887 31.823 0.277 0.000 0.259 88 V HN 1.433 nan 8.190 nan 0.000 0.742 89 G N -0.387 108.582 108.800 0.281 0.000 2.187 89 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.261 89 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.261 89 G C -0.052 174.951 174.900 0.172 0.000 1.000 89 G CA 0.871 46.091 45.100 0.200 0.000 0.718 89 G HN 1.071 nan 8.290 nan 0.000 0.519 90 H N -0.083 119.101 119.070 0.191 0.000 2.551 90 H HA 0.620 5.176 4.556 -0.001 0.000 0.358 90 H C 0.904 176.303 175.328 0.118 0.000 1.151 90 H CA 0.984 57.126 56.048 0.157 0.000 1.374 90 H CB 1.585 31.463 29.762 0.194 0.000 1.473 90 H HN 0.660 nan 8.280 nan 0.000 0.574 91 G N -0.494 108.395 108.800 0.148 0.000 2.550 91 G HA2 0.498 4.457 3.960 -0.001 0.000 0.293 91 G HA3 0.498 4.457 3.960 -0.001 0.000 0.293 91 G C -1.024 173.888 174.900 0.021 0.000 1.402 91 G CA -0.405 44.742 45.100 0.078 0.000 0.784 91 G HN 0.770 nan 8.290 nan 0.000 0.482 92 T N -2.967 111.583 114.554 -0.007 0.000 2.907 92 T HA 0.559 4.909 4.350 -0.001 0.000 0.290 92 T C 0.877 175.561 174.700 -0.026 0.000 1.066 92 T CA 0.034 62.115 62.100 -0.031 0.000 1.012 92 T CB 2.474 71.309 68.868 -0.054 0.000 1.184 92 T HN 0.632 nan 8.240 nan 0.000 0.522 93 E N 0.336 120.518 120.200 -0.030 0.000 2.110 93 E HA -0.137 4.213 4.350 -0.001 0.000 0.193 93 E C 2.172 178.756 176.600 -0.026 0.000 0.988 93 E CA 1.276 57.662 56.400 -0.023 0.000 0.804 93 E CB -0.469 29.217 29.700 -0.025 0.000 0.745 93 E HN 0.749 nan 8.360 nan 0.000 0.458 94 A N 0.964 123.759 122.820 -0.042 0.000 1.858 94 A HA -0.230 4.089 4.320 -0.001 0.000 0.216 94 A C 2.383 179.921 177.584 -0.077 0.000 1.190 94 A CA 2.318 54.320 52.037 -0.058 0.000 0.617 94 A CB -0.877 18.081 19.000 -0.069 0.000 0.827 94 A HN 0.468 nan 8.150 nan 0.000 0.443 95 S N 0.172 115.813 115.700 -0.099 0.000 2.368 95 S HA -0.116 4.353 4.470 -0.001 0.000 0.225 95 S C 1.871 176.490 174.600 0.032 0.000 1.030 95 S CA 1.453 59.569 58.200 -0.139 0.000 0.999 95 S CB -0.782 62.329 63.200 -0.150 0.000 0.844 95 S HN 0.471 nan 8.310 nan 0.000 0.459 96 I N 2.124 122.719 120.570 0.041 0.000 2.179 96 I HA -0.169 4.001 4.170 -0.001 0.000 0.242 96 I C 2.771 178.927 176.117 0.065 0.000 1.088 96 I CA 1.570 62.911 61.300 0.069 0.000 1.357 96 I CB -1.064 36.957 38.000 0.036 0.000 1.051 96 I HN 0.315 nan 8.210 nan 0.000 0.409 97 T N 1.282 115.856 114.554 0.034 0.000 2.720 97 T HA -0.198 4.151 4.350 -0.001 0.000 0.268 97 T C 1.857 176.588 174.700 0.053 0.000 1.037 97 T CA 1.375 63.492 62.100 0.028 0.000 1.144 97 T CB -0.374 68.496 68.868 0.003 0.000 0.864 97 T HN 0.166 nan 8.240 nan 0.000 0.444 98 L N 1.308 122.568 121.223 0.062 0.000 2.093 98 L HA 0.156 4.496 4.340 -0.001 0.000 0.208 98 L C 2.617 179.632 176.870 0.241 0.000 1.085 98 L CA 1.661 56.568 54.840 0.112 0.000 0.755 98 L CB -1.100 40.986 42.059 0.044 0.000 0.904 98 L HN 0.224 nan 8.230 nan 0.000 0.435 99 A N -0.330 122.682 122.820 0.319 0.000 1.883 99 A HA -0.206 4.114 4.320 -0.001 0.000 0.217 99 A C 1.612 179.260 177.584 0.107 0.000 1.186 99 A CA 1.517 53.701 52.037 0.245 0.000 0.624 99 A CB -0.606 18.516 19.000 0.203 0.000 0.822 99 A HN 0.442 nan 8.150 nan 0.000 0.444 103 L N 1.643 122.911 121.223 0.074 0.000 2.191 103 L HA -0.148 4.192 4.340 -0.001 0.000 0.212 103 L C 1.778 178.648 176.870 0.001 0.000 1.103 103 L CA 1.983 56.816 54.840 -0.011 0.000 0.769 103 L CB -1.147 40.878 42.059 -0.057 0.000 0.908 103 L HN 0.340 nan 8.230 nan 0.000 0.438 104 D N -0.134 120.293 120.400 0.046 0.000 2.178 104 D HA -0.139 4.501 4.640 -0.001 0.000 0.202 104 D C 2.336 178.682 176.300 0.076 0.000 0.974 104 D CA 0.983 55.012 54.000 0.048 0.000 0.841 104 D CB 0.134 40.969 40.800 0.059 0.000 0.953 104 D HN 0.287 nan 8.370 nan 0.000 0.478 105 R N 0.124 120.716 120.500 0.153 0.000 2.189 105 R HA 0.302 4.641 4.340 -0.001 0.000 0.203 105 R C 0.929 177.326 176.300 0.163 0.000 1.012 105 R CA 0.127 56.376 56.100 0.248 0.000 1.015 105 R CB 0.314 30.888 30.300 0.457 0.000 0.938 105 R HN -0.014 nan 8.270 nan 0.000 0.472 106 A N 2.334 125.097 122.820 -0.095 0.000 2.406 106 A HA 0.293 4.612 4.320 -0.001 0.000 0.243 106 A C -2.121 175.210 177.584 -0.422 0.000 1.082 106 A CA -1.161 50.471 52.037 -0.675 0.000 0.786 106 A CB -0.209 18.465 19.000 -0.545 0.000 1.029 106 A HN -0.061 nan 8.150 nan 0.000 0.495 107 P HA -0.007 nan 4.420 nan 0.000 0.266 107 P C 0.481 177.671 177.300 -0.182 0.000 1.193 107 P CA 0.180 63.125 63.100 -0.259 0.000 0.770 107 P CB 0.453 31.997 31.700 -0.260 0.000 0.836 108 K N 1.764 122.095 120.400 -0.116 0.000 2.360 108 K HA -0.124 4.196 4.320 -0.001 0.000 0.201 108 K C 0.708 177.259 176.600 -0.082 0.000 1.046 108 K CA 0.782 57.017 56.287 -0.086 0.000 0.945 108 K CB -0.486 31.980 32.500 -0.056 0.000 0.750 108 K HN 0.434 nan 8.250 nan 0.000 0.464 112 K N 1.097 121.255 120.400 -0.404 0.000 2.482 112 K HA 0.709 5.029 4.320 -0.001 0.000 0.257 112 K C -1.529 174.918 176.600 -0.256 0.000 0.969 112 K CA -0.475 55.545 56.287 -0.444 0.000 0.842 112 K CB 1.775 33.767 32.500 -0.848 0.000 1.359 112 K HN 0.255 nan 8.250 nan 0.000 0.441 113 V N 1.969 121.732 119.914 -0.252 0.000 2.540 113 V HA 0.449 4.568 4.120 -0.001 0.000 0.302 113 V C -1.693 174.207 176.094 -0.323 0.000 1.035 113 V CA -0.747 61.388 62.300 -0.275 0.000 0.873 113 V CB 1.434 33.026 31.823 -0.385 0.000 0.992 113 V HN 0.697 nan 8.190 nan 0.000 0.428 114 Y N 6.577 126.704 120.300 -0.289 0.000 2.341 114 Y HA 0.672 5.222 4.550 -0.000 0.000 0.337 114 Y C -0.956 174.851 175.900 -0.154 0.000 1.014 114 Y CA -0.938 57.064 58.100 -0.164 0.000 1.111 114 Y CB 1.383 39.844 38.460 0.003 0.000 1.194 114 Y HN 0.593 nan 8.280 nan 0.000 0.462 115 F N 4.771 124.428 119.950 -0.488 0.000 2.411 115 F HA 0.587 5.113 4.527 -0.000 0.000 0.350 115 F C 0.838 176.528 175.800 -0.184 0.000 1.114 115 F CA -0.009 57.851 58.000 -0.234 0.000 1.135 115 F CB 1.142 40.069 39.000 -0.121 0.000 1.120 115 F HN 0.660 nan 8.300 nan 0.000 0.495 116 G N 2.370 111.351 108.800 0.302 0.000 3.107 116 G HA2 0.461 4.421 3.960 -0.001 0.000 0.232 116 G HA3 0.461 4.421 3.960 -0.001 0.000 0.232 116 G C 0.120 175.125 174.900 0.176 0.000 1.339 116 G CA -0.607 44.698 45.100 0.342 0.000 1.033 116 G HN 0.440 nan 8.290 nan 0.000 0.567 117 L N -0.423 120.817 121.223 0.028 0.000 2.500 117 L HA 0.341 4.681 4.340 -0.001 0.000 0.219 117 L C 1.271 178.142 176.870 0.002 0.000 1.057 117 L CA 1.117 55.956 54.840 -0.001 0.000 0.854 117 L CB -0.374 41.648 42.059 -0.061 0.000 1.078 117 L HN 0.659 nan 8.230 nan 0.000 0.480 118 G N -2.122 106.677 108.800 -0.002 0.000 2.708 118 G HA2 0.442 4.402 3.960 -0.001 0.000 0.289 118 G HA3 0.442 4.402 3.960 -0.001 0.000 0.289 118 G C 0.560 175.490 174.900 0.050 0.000 1.416 118 G CA 0.061 45.174 45.100 0.022 0.000 0.829 118 G HN -0.004 nan 8.290 nan 0.000 0.480 119 G N 0.073 108.910 108.800 0.061 0.000 2.442 119 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.219 119 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.219 119 G C 1.878 176.801 174.900 0.039 0.000 1.141 119 G CA 1.946 47.087 45.100 0.067 0.000 0.763 119 G HN 0.621 nan 8.290 nan 0.000 0.554 120 S N 1.295 117.000 115.700 0.007 0.000 2.356 120 S HA -0.130 4.339 4.470 -0.001 0.000 0.223 120 S C 2.116 176.716 174.600 0.001 0.000 1.032 120 S CA 1.756 59.941 58.200 -0.025 0.000 1.005 120 S CB -0.369 62.803 63.200 -0.046 0.000 0.867 120 S HN 0.797 nan 8.310 nan 0.000 0.449 121 D N 1.862 122.257 120.400 -0.008 0.000 2.219 121 D HA 0.040 4.679 4.640 -0.001 0.000 0.205 121 D C 1.737 178.178 176.300 0.235 0.000 0.970 121 D CA 1.013 55.033 54.000 0.034 0.000 0.851 121 D CB -0.347 40.282 40.800 -0.284 0.000 0.943 121 D HN 0.355 nan 8.370 nan 0.000 0.488 122 A N 0.631 123.564 122.820 0.189 0.000 1.898 122 A HA -0.183 4.137 4.320 -0.001 0.000 0.216 122 A C 2.122 179.783 177.584 0.128 0.000 1.181 122 A CA 1.355 53.526 52.037 0.223 0.000 0.620 122 A CB -0.591 18.518 19.000 0.182 0.000 0.819 122 A HN 0.165 nan 8.150 nan 0.000 0.442 123 N N -0.388 118.349 118.700 0.061 0.000 2.244 123 N HA -0.135 4.605 4.740 -0.001 0.000 0.183 123 N C 1.692 177.173 175.510 -0.048 0.000 1.016 123 N CA 1.482 54.523 53.050 -0.014 0.000 0.866 123 N CB -0.258 38.207 38.487 -0.037 0.000 0.980 123 N HN 0.688 nan 8.380 nan 0.000 0.430 124 E N 0.529 120.736 120.200 0.012 0.000 2.051 124 E HA -0.093 4.257 4.350 -0.001 0.000 0.192 124 E C 1.622 178.194 176.600 -0.047 0.000 0.991 124 E CA 1.554 57.956 56.400 0.002 0.000 0.799 124 E CB -0.333 29.446 29.700 0.133 0.000 0.748 124 E HN 0.155 nan 8.360 nan 0.000 0.449 125 T N 1.016 115.613 114.554 0.072 0.000 2.720 125 T HA -0.154 4.195 4.350 -0.001 0.000 0.268 125 T C 1.499 176.055 174.700 -0.239 0.000 1.037 125 T CA 1.429 63.456 62.100 -0.122 0.000 1.144 125 T CB -0.444 68.510 68.868 0.143 0.000 0.864 125 T HN 0.201 nan 8.240 nan 0.000 0.444 126 N N 0.850 119.468 118.700 -0.137 0.000 2.104 126 N HA -0.074 4.665 4.740 -0.001 0.000 0.190 126 N C 1.936 177.293 175.510 -0.253 0.000 1.024 126 N CA 0.814 53.766 53.050 -0.164 0.000 0.853 126 N CB -0.841 37.578 38.487 -0.114 0.000 1.008 126 N HN 0.236 nan 8.380 nan 0.000 0.424 127 V N 1.282 120.995 119.914 -0.336 0.000 2.307 127 V HA -0.181 3.939 4.120 -0.001 0.000 0.245 127 V C 2.401 178.063 176.094 -0.720 0.000 1.045 127 V CA 1.450 63.415 62.300 -0.559 0.000 1.024 127 V CB -0.495 30.928 31.823 -0.666 0.000 0.651 127 V HN 0.327 nan 8.190 nan 0.000 0.449 128 K N 0.062 120.122 120.400 -0.566 0.000 2.063 128 K HA -0.180 4.139 4.320 -0.001 0.000 0.208 128 K C 2.083 178.533 176.600 -0.249 0.000 1.048 128 K CA 1.681 57.710 56.287 -0.430 0.000 0.928 128 K CB -0.236 32.008 32.500 -0.428 0.000 0.713 128 K HN 0.398 nan 8.250 nan 0.000 0.442 129 L N 0.585 121.641 121.223 -0.279 0.000 2.156 129 L HA -0.112 4.227 4.340 -0.001 0.000 0.208 129 L C 2.320 179.207 176.870 0.029 0.000 1.095 129 L CA 0.771 55.524 54.840 -0.145 0.000 0.770 129 L CB -0.259 41.681 42.059 -0.198 0.000 0.914 129 L HN 0.226 nan 8.230 nan 0.000 0.439 130 I N -1.332 119.208 120.570 -0.051 0.000 2.286 130 I HA -0.281 3.888 4.170 -0.001 0.000 0.248 130 I C 2.253 178.568 176.117 0.331 0.000 1.115 130 I CA 1.259 62.602 61.300 0.072 0.000 1.392 130 I CB -0.333 37.651 38.000 -0.026 0.000 1.065 130 I HN 0.378 nan 8.210 nan 0.000 0.418 131 W N 0.146 121.485 121.300 0.065 0.000 2.388 131 W HA -0.172 4.487 4.660 -0.000 0.000 0.294 131 W C 2.565 179.141 176.519 0.095 0.000 1.212 131 W CA 0.468 57.850 57.345 0.062 0.000 1.271 131 W CB -1.436 28.039 29.460 0.025 0.000 1.126 131 W HN 0.184 nan 8.180 nan 0.000 0.535 132 Y N -0.200 120.218 120.300 0.197 0.000 2.163 132 Y HA -0.329 4.221 4.550 -0.001 0.000 0.288 132 Y C 2.781 178.734 175.900 0.089 0.000 1.136 132 Y CA 2.271 60.423 58.100 0.087 0.000 1.147 132 Y CB -1.227 37.239 38.460 0.010 0.000 0.987 132 Y HN -0.060 nan 8.280 nan 0.000 0.509 133 Y N 1.392 121.782 120.300 0.149 0.000 2.069 133 Y HA -0.371 4.179 4.550 -0.001 0.000 0.278 133 Y C 2.309 178.194 175.900 -0.024 0.000 1.175 133 Y CA 2.452 60.580 58.100 0.046 0.000 1.134 133 Y CB -0.804 37.701 38.460 0.075 0.000 0.965 133 Y HN 0.201 nan 8.280 nan 0.000 0.498 134 N N 0.192 118.935 118.700 0.072 0.000 2.188 134 N HA -0.176 4.563 4.740 -0.001 0.000 0.184 134 N C 1.392 176.827 175.510 -0.126 0.000 1.018 134 N CA 1.201 54.221 53.050 -0.050 0.000 0.858 134 N CB -0.398 38.139 38.487 0.084 0.000 0.989 134 N HN 0.470 nan 8.380 nan 0.000 0.426 135 N N 1.502 120.136 118.700 -0.110 0.000 2.084 135 N HA -0.068 4.672 4.740 -0.001 0.000 0.190 135 N C 1.742 177.104 175.510 -0.247 0.000 1.030 135 N CA 0.593 53.543 53.050 -0.167 0.000 0.849 135 N CB -0.285 38.110 38.487 -0.153 0.000 1.012 135 N HN 0.190 nan 8.380 nan 0.000 0.423 136 I N 1.155 121.514 120.570 -0.351 0.000 2.286 136 I HA -0.162 4.007 4.170 -0.001 0.000 0.248 136 I C 1.889 177.840 176.117 -0.276 0.000 1.115 136 I CA 0.789 61.874 61.300 -0.358 0.000 1.392 136 I CB -1.048 36.693 38.000 -0.432 0.000 1.065 136 I HN 0.129 nan 8.210 nan 0.000 0.418 137 L N 0.474 121.515 121.223 -0.304 0.000 2.610 137 L HA 0.108 4.448 4.340 -0.001 0.000 0.232 137 L C 1.294 178.056 176.870 -0.180 0.000 1.149 137 L CA 0.491 55.173 54.840 -0.264 0.000 0.872 137 L CB -0.664 41.185 42.059 -0.351 0.000 0.992 137 L HN 0.491 nan 8.230 nan 0.000 0.447 138 G N 1.492 110.194 108.800 -0.162 0.000 2.225 138 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.264 138 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.264 138 G C 0.243 175.082 174.900 -0.102 0.000 1.060 138 G CA -0.195 44.832 45.100 -0.121 0.000 0.833 138 G HN 0.513 nan 8.290 nan 0.000 0.498 139 R N -0.263 120.174 120.500 -0.105 0.000 2.835 139 R HA 0.219 4.558 4.340 -0.001 0.000 0.290 139 R C -1.639 174.612 176.300 -0.081 0.000 1.410 139 R CA -1.288 54.764 56.100 -0.080 0.000 1.590 139 R CB 1.418 31.678 30.300 -0.067 0.000 1.288 139 R HN 0.187 nan 8.270 nan 0.000 0.637 140 P HA -0.188 nan 4.420 nan 0.000 0.220 140 P C 0.519 177.745 177.300 -0.123 0.000 1.144 140 P CA 1.298 64.333 63.100 -0.108 0.000 0.800 140 P CB 0.466 32.106 31.700 -0.098 0.000 0.772 141 E N -0.056 120.087 120.200 -0.095 0.000 2.299 141 E HA -0.039 4.311 4.350 -0.001 0.000 0.193 141 E C 1.045 177.596 176.600 -0.082 0.000 0.998 141 E CA 0.415 56.760 56.400 -0.092 0.000 0.851 141 E CB -0.285 29.375 29.700 -0.066 0.000 0.795 141 E HN 0.321 nan 8.360 nan 0.000 0.492 142 K N 1.914 122.280 120.400 -0.056 0.000 2.111 142 K HA 0.025 4.344 4.320 -0.001 0.000 0.249 142 K C 0.471 177.074 176.600 0.006 0.000 1.157 142 K CA 0.127 56.406 56.287 -0.012 0.000 1.048 142 K CB 0.105 32.614 32.500 0.016 0.000 1.498 142 K HN -0.245 nan 8.250 nan 0.000 0.344 143 K N 1.679 122.059 120.400 -0.034 0.000 2.538 143 K HA 0.092 4.411 4.320 -0.001 0.000 0.215 143 K C -0.284 176.390 176.600 0.123 0.000 1.345 143 K CA 0.024 56.288 56.287 -0.038 0.000 0.985 143 K CB 0.612 32.840 32.500 -0.452 0.000 1.116 143 K HN 0.250 nan 8.250 nan 0.000 0.582 144 K N 1.858 122.290 120.400 0.054 0.000 2.436 144 K HA 0.178 4.498 4.320 -0.001 0.000 0.275 144 K C 0.088 176.739 176.600 0.085 0.000 0.999 144 K CA 0.198 56.524 56.287 0.066 0.000 0.980 144 K CB 0.630 33.133 32.500 0.006 0.000 0.919 144 K HN -0.118 nan 8.250 nan 0.000 0.484 145 I N 4.281 124.879 120.570 0.046 0.000 2.362 145 I HA 0.265 4.434 4.170 -0.001 0.000 0.289 145 I C 0.162 176.183 176.117 -0.161 0.000 0.994 145 I CA -0.590 60.686 61.300 -0.040 0.000 1.158 145 I CB 0.958 38.913 38.000 -0.075 0.000 1.315 145 I HN 0.490 nan 8.210 nan 0.000 0.451 146 I N 4.765 125.229 120.570 -0.176 0.000 2.352 146 I HA 0.216 4.386 4.170 -0.001 0.000 0.290 146 I C 0.776 176.557 176.117 -0.559 0.000 1.036 146 I CA 0.301 61.422 61.300 -0.298 0.000 1.336 146 I CB 1.348 39.266 38.000 -0.137 0.000 1.407 146 I HN 0.604 nan 8.210 nan 0.000 0.497 147 S N 6.182 121.505 115.700 -0.628 0.000 2.801 147 S HA 0.695 5.165 4.470 -0.001 0.000 0.312 147 S C -0.484 173.843 174.600 -0.456 0.000 1.112 147 S CA -0.744 57.092 58.200 -0.606 0.000 0.943 147 S CB 1.415 64.275 63.200 -0.567 0.000 1.269 147 S HN 0.570 nan 8.310 nan 0.000 0.558 148 R N -0.418 119.985 120.500 -0.162 0.000 2.744 148 R HA 0.350 4.690 4.340 -0.001 0.000 0.279 148 R C -1.434 174.936 176.300 0.117 0.000 0.977 148 R CA -0.568 55.522 56.100 -0.017 0.000 0.906 148 R CB 1.054 31.401 30.300 0.079 0.000 1.197 148 R HN 0.584 nan 8.270 nan 0.000 0.463 149 W N 2.580 124.022 121.300 0.238 0.000 2.223 149 W HA 0.061 4.720 4.660 -0.001 0.000 0.334 149 W C 0.911 177.529 176.519 0.164 0.000 1.334 149 W CA 0.357 57.796 57.345 0.156 0.000 1.246 149 W CB 0.352 29.881 29.460 0.115 0.000 1.184 149 W HN 0.630 nan 8.180 nan 0.000 0.563 150 R N 0.264 121.010 120.500 0.410 0.000 3.840 150 R HA -0.159 4.180 4.340 -0.001 0.000 0.464 150 R C 0.600 177.006 176.300 0.177 0.000 0.986 150 R CA 0.596 56.862 56.100 0.276 0.000 1.305 150 R CB -2.174 28.298 30.300 0.287 0.000 1.950 150 R HN 0.708 nan 8.270 nan 0.000 0.526 151 G N 0.326 109.223 108.800 0.162 0.000 2.527 151 G HA2 0.272 4.232 3.960 -0.001 0.000 0.248 151 G HA3 0.272 4.232 3.960 -0.001 0.000 0.248 151 G C -1.055 173.775 174.900 -0.117 0.000 1.231 151 G CA -0.081 45.026 45.100 0.013 0.000 0.838 151 G HN 0.186 nan 8.290 nan 0.000 0.570 152 Y N 0.934 120.910 120.300 -0.541 0.000 2.326 152 Y HA 0.446 4.996 4.550 -0.001 0.000 0.329 152 Y C 0.300 175.744 175.900 -0.761 0.000 0.973 152 Y CA -0.920 56.880 58.100 -0.500 0.000 1.162 152 Y CB 1.439 39.705 38.460 -0.324 0.000 1.147 152 Y HN 0.626 nan 8.280 nan 0.000 0.456 153 H N 3.612 122.213 119.070 -0.782 0.000 3.230 153 H HA 0.471 5.026 4.556 -0.001 0.000 0.259 153 H C 0.544 175.536 175.328 -0.559 0.000 1.195 153 H CA 0.346 56.104 56.048 -0.483 0.000 1.112 153 H CB 1.088 30.691 29.762 -0.265 0.000 1.638 153 H HN 0.836 nan 8.280 nan 0.000 0.624 154 G N 0.195 108.388 108.800 -1.012 0.000 2.353 154 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.424 154 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.424 154 G C -0.405 174.163 174.900 -0.554 0.000 1.320 154 G CA -0.075 44.659 45.100 -0.610 0.000 0.995 154 G HN 0.015 nan 8.290 nan 0.000 0.580 155 S N -0.704 114.882 115.700 -0.190 0.000 2.749 155 S HA 0.528 4.998 4.470 -0.001 0.000 0.246 155 S C 1.095 175.688 174.600 -0.012 0.000 1.023 155 S CA 1.097 59.288 58.200 -0.016 0.000 1.012 155 S CB -0.682 62.613 63.200 0.158 0.000 0.942 155 S HN 1.588 nan 8.310 nan 0.000 0.531 156 G N 0.749 109.521 108.800 -0.046 0.000 2.531 156 G HA2 0.473 4.433 3.960 -0.001 0.000 0.281 156 G HA3 0.473 4.433 3.960 -0.001 0.000 0.281 156 G C 0.726 175.620 174.900 -0.010 0.000 1.382 156 G CA -0.565 44.515 45.100 -0.035 0.000 1.045 156 G HN 0.326 nan 8.290 nan 0.000 0.533 157 L N -0.935 120.292 121.223 0.006 0.000 1.993 157 L HA -0.045 4.294 4.340 -0.001 0.000 0.206 157 L C 2.990 179.888 176.870 0.046 0.000 1.074 157 L CA 0.657 55.522 54.840 0.041 0.000 0.746 157 L CB -0.678 41.411 42.059 0.052 0.000 0.896 157 L HN 0.275 nan 8.230 nan 0.000 0.435 158 V N -0.198 119.730 119.914 0.023 0.000 2.453 158 V HA -0.206 3.913 4.120 -0.001 0.000 0.247 158 V C 2.721 178.800 176.094 -0.024 0.000 1.048 158 V CA 2.129 64.429 62.300 0.000 0.000 1.049 158 V CB -0.780 31.018 31.823 -0.042 0.000 0.672 158 V HN 0.671 nan 8.190 nan 0.000 0.457 159 T N -1.543 112.988 114.554 -0.039 0.000 2.857 159 T HA -0.036 4.313 4.350 -0.001 0.000 0.266 159 T C 1.966 176.629 174.700 -0.062 0.000 1.048 159 T CA 1.282 63.340 62.100 -0.070 0.000 1.139 159 T CB -0.631 68.183 68.868 -0.091 0.000 0.874 159 T HN 0.441 nan 8.240 nan 0.000 0.455 160 G N 0.779 109.572 108.800 -0.011 0.000 2.471 160 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.219 160 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.219 160 G C 1.748 176.812 174.900 0.273 0.000 1.125 160 G CA 0.768 45.919 45.100 0.086 0.000 0.775 160 G HN 0.556 nan 8.290 nan 0.000 0.548 161 S N 0.241 116.050 115.700 0.181 0.000 2.395 161 S HA 0.071 4.541 4.470 -0.001 0.000 0.225 161 S C 2.248 176.974 174.600 0.210 0.000 1.027 161 S CA 0.333 58.638 58.200 0.175 0.000 0.965 161 S CB -0.133 63.102 63.200 0.059 0.000 0.812 161 S HN 0.315 nan 8.310 nan 0.000 0.482 162 L N 1.160 122.426 121.223 0.070 0.000 2.046 162 L HA -0.058 4.282 4.340 -0.001 0.000 0.208 162 L C 1.069 178.077 176.870 0.230 0.000 1.077 162 L CA 0.621 55.453 54.840 -0.014 0.000 0.747 162 L CB -1.105 40.874 42.059 -0.134 0.000 0.896 162 L HN 0.194 nan 8.230 nan 0.000 0.432 163 T N 0.047 114.719 114.554 0.197 0.000 2.946 163 T HA 0.137 4.487 4.350 -0.001 0.000 0.311 163 T C 0.825 175.701 174.700 0.293 0.000 1.063 163 T CA 0.550 62.713 62.100 0.104 0.000 1.139 163 T CB 0.968 69.710 68.868 -0.210 0.000 0.994 163 T HN 0.419 nan 8.240 nan 0.000 0.547 164 G N 2.709 111.629 108.800 0.200 0.000 4.044 164 G HA2 0.483 4.443 3.960 -0.001 0.000 0.297 164 G HA3 0.483 4.443 3.960 -0.001 0.000 0.297 164 G C -0.193 174.877 174.900 0.283 0.000 1.101 164 G CA -0.310 44.921 45.100 0.217 0.000 0.884 164 G HN 0.570 nan 8.290 nan 0.000 0.538 165 L N 0.772 122.049 121.223 0.089 0.000 2.356 165 L HA 0.310 4.649 4.340 -0.001 0.000 0.277 165 L C 1.514 178.370 176.870 -0.022 0.000 0.996 165 L CA -0.807 54.123 54.840 0.149 0.000 0.822 165 L CB 2.202 44.445 42.059 0.307 0.000 1.256 165 L HN 0.461 nan 8.230 nan 0.000 0.413 166 E N 2.726 122.947 120.200 0.035 0.000 2.265 166 E HA -0.243 4.107 4.350 -0.001 0.000 0.196 166 E C 1.762 178.386 176.600 0.040 0.000 0.996 166 E CA 0.964 57.391 56.400 0.045 0.000 0.832 166 E CB 0.056 29.797 29.700 0.069 0.000 0.756 166 E HN 0.583 nan 8.360 nan 0.000 0.491 167 L N 0.507 121.728 121.223 -0.003 0.000 2.079 167 L HA -0.124 4.215 4.340 -0.001 0.000 0.210 167 L C 1.597 178.334 176.870 -0.222 0.000 1.081 167 L CA 1.652 56.392 54.840 -0.167 0.000 0.752 167 L CB -0.357 41.497 42.059 -0.341 0.000 0.896 167 L HN 0.106 nan 8.230 nan 0.000 0.433 168 F N -2.079 117.962 119.950 0.152 0.000 2.765 168 F HA 0.108 4.634 4.527 -0.001 0.000 0.302 168 F C 1.891 177.939 175.800 0.413 0.000 1.111 168 F CA 0.454 58.583 58.000 0.215 0.000 1.359 168 F CB -0.285 38.777 39.000 0.103 0.000 1.097 168 F HN 0.245 nan 8.300 nan 0.000 0.577 169 H N -2.019 117.310 119.070 0.432 0.000 2.373 169 H HA 0.092 4.647 4.556 -0.001 0.000 0.290 169 H C 0.772 176.258 175.328 0.263 0.000 0.989 169 H CA -0.257 56.005 56.048 0.357 0.000 1.250 169 H CB 0.252 30.174 29.762 0.266 0.000 1.477 169 H HN -0.290 nan 8.280 nan 0.000 0.551 170 K N 2.377 122.934 120.400 0.262 0.000 2.472 170 K HA -0.019 4.300 4.320 -0.001 0.000 0.280 170 K C 0.419 176.886 176.600 -0.222 0.000 1.028 170 K CA -0.000 56.309 56.287 0.037 0.000 1.045 170 K CB 0.346 32.845 32.500 -0.002 0.000 0.902 170 K HN 0.422 nan 8.250 nan 0.000 0.478 171 K N -0.021 120.249 120.400 -0.218 0.000 3.553 171 K HA -0.183 4.136 4.320 -0.001 0.000 0.303 171 K C 0.414 176.757 176.600 -0.428 0.000 1.327 171 K CA 1.640 57.705 56.287 -0.370 0.000 0.983 171 K CB -1.899 30.300 32.500 -0.502 0.000 1.275 171 K HN 0.628 nan 8.250 nan 0.000 0.453 172 F N 0.974 120.977 119.950 0.088 0.000 2.682 172 F HA 0.184 4.711 4.527 -0.001 0.000 0.308 172 F C 0.272 176.127 175.800 0.092 0.000 1.093 172 F CA -0.419 57.641 58.000 0.099 0.000 1.244 172 F CB 0.347 39.427 39.000 0.133 0.000 1.052 172 F HN -0.107 nan 8.300 nan 0.000 0.573 173 D N 1.073 121.592 120.400 0.200 0.000 2.907 173 D HA -0.170 4.470 4.640 -0.001 0.000 0.226 173 D C -0.377 175.999 176.300 0.127 0.000 1.141 173 D CA 0.668 54.749 54.000 0.134 0.000 0.779 173 D CB -1.526 39.343 40.800 0.114 0.000 1.095 173 D HN 0.220 nan 8.370 nan 0.000 0.430 174 L N -0.300 121.012 121.223 0.147 0.000 2.303 174 L HA 0.620 4.960 4.340 -0.001 0.000 0.266 174 L C -1.887 174.884 176.870 -0.164 0.000 1.011 174 L CA -1.961 52.906 54.840 0.044 0.000 0.818 174 L CB 1.565 43.717 42.059 0.154 0.000 1.326 174 L HN -0.259 nan 8.230 nan 0.000 0.435 175 P HA 0.108 nan 4.420 nan 0.000 0.274 175 P C -0.472 176.822 177.300 -0.010 0.000 1.231 175 P CA -0.296 62.712 63.100 -0.154 0.000 0.790 175 P CB 1.221 32.870 31.700 -0.085 0.000 0.951 176 V N 0.476 120.406 119.914 0.027 0.000 3.096 176 V HA 0.011 4.130 4.120 -0.001 0.000 0.306 176 V C 1.838 177.957 176.094 0.042 0.000 1.088 176 V CA 0.240 62.569 62.300 0.050 0.000 1.129 176 V CB -0.384 31.484 31.823 0.075 0.000 1.014 176 V HN 0.780 nan 8.190 nan 0.000 0.486 177 E N 0.901 121.127 120.200 0.043 0.000 2.204 177 E HA -0.280 4.070 4.350 -0.001 0.000 0.195 177 E C 1.644 178.259 176.600 0.025 0.000 0.990 177 E CA 1.634 58.052 56.400 0.031 0.000 0.821 177 E CB -0.251 29.462 29.700 0.022 0.000 0.750 177 E HN 0.859 nan 8.360 nan 0.000 0.477 178 Q N 0.680 120.510 119.800 0.049 0.000 2.436 178 Q HA 0.083 4.422 4.340 -0.001 0.000 0.209 178 Q C -0.135 175.891 176.000 0.042 0.000 0.965 178 Q CA 0.521 56.366 55.803 0.069 0.000 0.910 178 Q CB 0.583 29.436 28.738 0.193 0.000 0.980 178 Q HN 0.110 nan 8.270 nan 0.000 0.491 179 V N 2.159 122.065 119.914 -0.013 0.000 2.417 179 V HA 0.410 4.530 4.120 -0.001 0.000 0.291 179 V C -0.212 175.776 176.094 -0.176 0.000 1.024 179 V CA -0.888 61.334 62.300 -0.131 0.000 0.861 179 V CB 1.201 32.925 31.823 -0.165 0.000 0.985 179 V HN 0.194 nan 8.190 nan 0.000 0.436 180 I N 1.377 121.793 120.570 -0.256 0.000 2.569 180 I HA 0.729 4.898 4.170 -0.001 0.000 0.296 180 I C -0.878 174.986 176.117 -0.422 0.000 1.028 180 I CA -0.768 60.413 61.300 -0.197 0.000 1.082 180 I CB 2.091 40.042 38.000 -0.082 0.000 1.264 180 I HN 0.528 nan 8.210 nan 0.000 0.429 181 H N 2.071 120.948 119.070 -0.320 0.000 2.492 181 H HA 0.629 5.185 4.556 -0.001 0.000 0.345 181 H C -0.155 175.004 175.328 -0.282 0.000 1.136 181 H CA -0.390 55.325 56.048 -0.555 0.000 1.202 181 H CB 2.159 31.032 29.762 -1.482 0.000 1.524 181 H HN 0.735 nan 8.280 nan 0.000 0.506 182 T N 0.309 114.810 114.554 -0.089 0.000 2.844 182 T HA 0.223 4.573 4.350 -0.001 0.000 0.274 182 T C -0.341 174.488 174.700 0.215 0.000 0.991 182 T CA -0.858 61.296 62.100 0.090 0.000 0.983 182 T CB 0.891 69.816 68.868 0.096 0.000 1.310 182 T HN 0.664 nan 8.240 nan 0.000 0.596 183 E N 0.805 121.147 120.200 0.236 0.000 2.452 183 E HA 0.392 4.742 4.350 -0.001 0.000 0.261 183 E C -0.335 176.453 176.600 0.314 0.000 0.987 183 E CA 0.083 56.657 56.400 0.291 0.000 0.926 183 E CB 0.357 30.148 29.700 0.152 0.000 0.934 183 E HN 0.704 nan 8.360 nan 0.000 0.452 184 A N 6.455 129.510 122.820 0.391 0.000 2.520 184 A HA 0.235 4.555 4.320 -0.001 0.000 0.245 184 A C -1.883 175.918 177.584 0.361 0.000 1.072 184 A CA -0.935 51.327 52.037 0.375 0.000 0.761 184 A CB 0.009 19.270 19.000 0.434 0.000 1.004 184 A HN 0.625 nan 8.150 nan 0.000 0.499 185 P HA 0.108 nan 4.420 nan 0.000 0.214 185 P C -1.277 176.133 177.300 0.182 0.000 1.826 185 P CA 0.319 63.402 63.100 -0.028 0.000 0.977 185 P CB -0.277 31.054 31.700 -0.616 0.000 1.930 186 Y N 1.539 122.004 120.300 0.275 0.000 2.681 186 Y HA 0.173 4.723 4.550 -0.001 0.000 0.347 186 Y C 0.685 176.558 175.900 -0.046 0.000 1.029 186 Y CA -2.174 56.016 58.100 0.151 0.000 1.279 186 Y CB 0.194 38.746 38.460 0.153 0.000 1.096 186 Y HN -0.005 nan 8.280 nan 0.000 0.580 187 Y N 3.971 124.223 120.300 -0.079 0.000 2.207 187 Y HA -0.277 4.273 4.550 -0.001 0.000 0.287 187 Y C 1.792 177.502 175.900 -0.317 0.000 1.156 187 Y CA 2.235 59.973 58.100 -0.603 0.000 1.182 187 Y CB -0.356 37.955 38.460 -0.249 0.000 0.979 187 Y HN 0.558 nan 8.280 nan 0.000 0.521 188 F N 0.771 120.622 119.950 -0.165 0.000 2.333 188 F HA -0.092 4.435 4.527 -0.001 0.000 0.300 188 F C 1.635 177.228 175.800 -0.344 0.000 1.083 188 F CA 1.302 59.174 58.000 -0.213 0.000 1.395 188 F CB -0.036 39.022 39.000 0.096 0.000 1.056 188 F HN -0.111 nan 8.300 nan 0.000 0.529 189 R N 1.432 121.566 120.500 -0.610 0.000 2.427 189 R HA 0.114 4.454 4.340 -0.001 0.000 0.262 189 R C 0.064 176.113 176.300 -0.419 0.000 0.943 189 R CA -0.205 55.521 56.100 -0.623 0.000 1.081 189 R CB -0.514 29.272 30.300 -0.856 0.000 1.166 189 R HN 0.393 nan 8.270 nan 0.000 0.534 190 R N 0.832 121.041 120.500 -0.484 0.000 2.585 190 R HA 0.009 4.348 4.340 -0.001 0.000 0.275 190 R C 0.179 176.361 176.300 -0.195 0.000 1.018 190 R CA 0.261 56.184 56.100 -0.294 0.000 1.072 190 R CB 0.592 30.597 30.300 -0.493 0.000 0.953 190 R HN 0.039 nan 8.270 nan 0.000 0.419 191 E N 0.734 120.895 120.200 -0.065 0.000 2.070 191 E HA -0.217 4.132 4.350 -0.001 0.000 0.197 191 E C -0.045 176.491 176.600 -0.107 0.000 1.004 191 E CA 1.623 57.980 56.400 -0.071 0.000 0.805 191 E CB 0.036 29.722 29.700 -0.023 0.000 0.744 191 E HN 0.610 nan 8.360 nan 0.000 0.451 192 D N -0.241 120.090 120.400 -0.115 0.000 2.467 192 D HA 0.083 4.723 4.640 -0.001 0.000 0.220 192 D C 0.623 176.849 176.300 -0.124 0.000 1.103 192 D CA -0.099 53.836 54.000 -0.108 0.000 0.886 192 D CB 0.728 41.470 40.800 -0.097 0.000 1.025 192 D HN -0.000 nan 8.370 nan 0.000 0.514 193 L N 2.895 124.029 121.223 -0.148 0.000 2.349 193 L HA -0.137 4.203 4.340 -0.001 0.000 0.220 193 L C 1.548 178.360 176.870 -0.097 0.000 1.130 193 L CA 0.574 55.310 54.840 -0.173 0.000 0.791 193 L CB -0.197 41.757 42.059 -0.175 0.000 0.918 193 L HN 0.347 nan 8.230 nan 0.000 0.444 194 N N -0.343 118.326 118.700 -0.052 0.000 2.494 194 N HA -0.043 4.696 4.740 -0.001 0.000 0.182 194 N C 0.337 175.871 175.510 0.039 0.000 1.076 194 N CA 0.416 53.462 53.050 -0.007 0.000 0.908 194 N CB 0.025 38.508 38.487 -0.007 0.000 0.967 194 N HN 0.484 nan 8.380 nan 0.000 0.449 195 Q N 0.960 120.795 119.800 0.058 0.000 2.313 195 Q HA 0.095 4.435 4.340 -0.001 0.000 0.266 195 Q C 0.626 176.780 176.000 0.257 0.000 0.989 195 Q CA 0.005 55.899 55.803 0.152 0.000 0.890 195 Q CB 0.737 29.601 28.738 0.210 0.000 1.200 195 Q HN 0.247 nan 8.270 nan 0.000 0.396 196 T N -1.454 113.232 114.554 0.220 0.000 2.726 196 T HA 0.022 4.371 4.350 -0.001 0.000 0.294 196 T C 0.993 175.817 174.700 0.208 0.000 1.013 196 T CA -0.562 61.660 62.100 0.203 0.000 0.996 196 T CB 0.879 69.809 68.868 0.105 0.000 1.016 196 T HN 0.712 nan 8.240 nan 0.000 0.529 197 E N -0.242 119.903 120.200 -0.092 0.000 2.150 197 E HA -0.167 4.183 4.350 -0.001 0.000 0.193 197 E C 2.049 178.667 176.600 0.030 0.000 0.985 197 E CA 1.011 57.207 56.400 -0.339 0.000 0.814 197 E CB -0.013 29.385 29.700 -0.503 0.000 0.752 197 E HN 0.853 nan 8.360 nan 0.000 0.466 198 E N 0.170 120.400 120.200 0.051 0.000 2.106 198 E HA -0.211 4.139 4.350 -0.001 0.000 0.192 198 E C 1.977 178.651 176.600 0.122 0.000 0.984 198 E CA 0.858 57.306 56.400 0.079 0.000 0.806 198 E CB 0.147 29.880 29.700 0.054 0.000 0.750 198 E HN 0.314 nan 8.360 nan 0.000 0.458 199 Q N -0.562 119.333 119.800 0.158 0.000 2.123 199 Q HA -0.137 4.202 4.340 -0.001 0.000 0.199 199 Q C 1.909 178.065 176.000 0.261 0.000 0.966 199 Q CA 1.172 57.081 55.803 0.177 0.000 0.845 199 Q CB -0.141 28.695 28.738 0.163 0.000 0.907 199 Q HN 0.291 nan 8.270 nan 0.000 0.439 200 F N 0.602 120.669 119.950 0.195 0.000 2.146 200 F HA -0.166 4.361 4.527 -0.001 0.000 0.298 200 F C 1.896 177.849 175.800 0.256 0.000 1.096 200 F CA 0.858 59.021 58.000 0.271 0.000 1.275 200 F CB -0.186 39.055 39.000 0.403 0.000 1.008 200 F HN -0.213 nan 8.300 nan 0.000 0.480 201 V N 0.663 120.663 119.914 0.143 0.000 2.332 201 V HA -0.318 3.802 4.120 -0.001 0.000 0.248 201 V C 2.782 178.854 176.094 -0.036 0.000 1.055 201 V CA 1.836 64.154 62.300 0.030 0.000 1.038 201 V CB -1.651 30.228 31.823 0.094 0.000 0.651 201 V HN 0.470 nan 8.190 nan 0.000 0.450 202 A N -0.492 122.345 122.820 0.028 0.000 1.933 202 A HA -0.303 4.017 4.320 -0.001 0.000 0.218 202 A C 2.109 179.704 177.584 0.019 0.000 1.175 202 A CA 2.303 54.352 52.037 0.021 0.000 0.628 202 A CB -0.807 18.227 19.000 0.057 0.000 0.814 202 A HN 0.765 nan 8.150 nan 0.000 0.444 203 H N -0.801 118.232 119.070 -0.063 0.000 2.357 203 H HA -0.120 4.436 4.556 -0.001 0.000 0.301 203 H C 1.960 177.215 175.328 -0.122 0.000 1.082 203 H CA 2.042 58.049 56.048 -0.068 0.000 1.342 203 H CB -0.620 29.124 29.762 -0.031 0.000 1.389 203 H HN 0.417 nan 8.280 nan 0.000 0.511 204 C N -0.554 118.550 119.300 -0.326 0.000 2.429 204 C HA -0.085 4.374 4.460 -0.001 0.000 0.277 204 C C 2.952 177.816 174.990 -0.210 0.000 1.262 204 C CA 0.883 59.721 59.018 -0.300 0.000 1.733 204 C CB -0.846 26.776 27.740 -0.196 0.000 2.010 204 C HN 0.473 nan 8.230 nan 0.000 0.483 205 V N 1.560 121.366 119.914 -0.180 0.000 2.287 205 V HA -0.260 3.860 4.120 -0.001 0.000 0.248 205 V C 2.748 178.779 176.094 -0.106 0.000 1.053 205 V CA 2.392 64.607 62.300 -0.142 0.000 1.027 205 V CB -1.304 30.453 31.823 -0.111 0.000 0.646 205 V HN 0.607 nan 8.190 nan 0.000 0.447 206 A N -0.807 121.949 122.820 -0.106 0.000 1.902 206 A HA -0.212 4.107 4.320 -0.001 0.000 0.217 206 A C 2.216 179.739 177.584 -0.102 0.000 1.181 206 A CA 1.673 53.664 52.037 -0.076 0.000 0.623 206 A CB -0.441 18.536 19.000 -0.038 0.000 0.818 206 A HN 0.529 nan 8.150 nan 0.000 0.443 207 E N -0.553 119.529 120.200 -0.196 0.000 2.077 207 E HA -0.181 4.169 4.350 -0.001 0.000 0.193 207 E C 1.984 178.551 176.600 -0.056 0.000 0.989 207 E CA 1.204 57.514 56.400 -0.150 0.000 0.800 207 E CB -0.446 29.117 29.700 -0.229 0.000 0.746 207 E HN 0.503 nan 8.360 nan 0.000 0.452 208 L N 1.875 123.068 121.223 -0.050 0.000 2.017 208 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 208 L C 2.037 178.893 176.870 -0.023 0.000 1.073 208 L CA 1.795 56.632 54.840 -0.004 0.000 0.745 208 L CB -0.486 41.569 42.059 -0.008 0.000 0.894 208 L HN -0.032 nan 8.230 nan 0.000 0.432 209 E N -0.108 120.075 120.200 -0.028 0.000 2.118 209 E HA -0.217 4.133 4.350 -0.001 0.000 0.195 209 E C 2.134 178.714 176.600 -0.033 0.000 0.992 209 E CA 1.349 57.738 56.400 -0.019 0.000 0.804 209 E CB -0.372 29.337 29.700 0.015 0.000 0.741 209 E HN 0.634 nan 8.360 nan 0.000 0.458 210 A N 1.041 123.847 122.820 -0.022 0.000 1.930 210 A HA -0.126 4.193 4.320 -0.001 0.000 0.217 210 A C 2.210 179.786 177.584 -0.013 0.000 1.175 210 A CA 0.952 52.982 52.037 -0.011 0.000 0.627 210 A CB -0.425 18.574 19.000 -0.001 0.000 0.815 210 A HN 0.217 nan 8.150 nan 0.000 0.443 211 L N -0.058 121.158 121.223 -0.013 0.000 2.056 211 L HA -0.026 4.313 4.340 -0.001 0.000 0.207 211 L C 2.189 179.035 176.870 -0.041 0.000 1.078 211 L CA 1.583 56.418 54.840 -0.008 0.000 0.749 211 L CB -0.404 41.661 42.059 0.010 0.000 0.901 211 L HN 0.420 nan 8.230 nan 0.000 0.433 212 I N -0.534 119.985 120.570 -0.086 0.000 2.226 212 I HA -0.255 3.914 4.170 -0.001 0.000 0.245 212 I C 2.467 178.495 176.117 -0.148 0.000 1.100 212 I CA 1.368 62.567 61.300 -0.169 0.000 1.374 212 I CB -0.290 37.488 38.000 -0.370 0.000 1.057 212 I HN 0.337 nan 8.210 nan 0.000 0.413 213 E N 1.442 121.576 120.200 -0.109 0.000 2.051 213 E HA -0.262 4.088 4.350 -0.001 0.000 0.192 213 E C 2.280 178.859 176.600 -0.035 0.000 0.991 213 E CA 1.545 57.910 56.400 -0.058 0.000 0.799 213 E CB -0.187 29.497 29.700 -0.026 0.000 0.748 213 E HN 0.208 nan 8.360 nan 0.000 0.449 214 R N -0.140 120.345 120.500 -0.026 0.000 2.066 214 R HA -0.106 4.233 4.340 -0.001 0.000 0.232 214 R C 1.894 178.184 176.300 -0.016 0.000 1.131 214 R CA 1.557 57.650 56.100 -0.011 0.000 0.955 214 R CB -0.059 30.242 30.300 0.001 0.000 0.851 214 R HN 0.150 nan 8.270 nan 0.000 0.432 215 E N -0.426 119.758 120.200 -0.026 0.000 2.158 215 E HA 0.048 4.398 4.350 -0.001 0.000 0.191 215 E C 0.485 177.066 176.600 -0.032 0.000 0.982 215 E CA 0.972 57.356 56.400 -0.026 0.000 0.823 215 E CB 0.096 29.779 29.700 -0.028 0.000 0.766 215 E HN 0.538 nan 8.360 nan 0.000 0.468 216 G N 0.560 109.333 108.800 -0.045 0.000 3.409 216 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.686 216 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.686 216 G C 0.707 175.579 174.900 -0.048 0.000 1.017 216 G CA 0.107 45.183 45.100 -0.040 0.000 0.854 216 G HN 0.267 nan 8.290 nan 0.000 0.508 217 A N 1.828 124.611 122.820 -0.061 0.000 1.978 217 A HA -0.025 4.294 4.320 -0.001 0.000 0.220 217 A C 2.006 179.594 177.584 0.006 0.000 1.170 217 A CA 2.406 54.416 52.037 -0.045 0.000 0.636 217 A CB -0.200 18.804 19.000 0.007 0.000 0.810 217 A HN 0.721 nan 8.150 nan 0.000 0.448 218 D N -0.690 119.714 120.400 0.007 0.000 2.350 218 D HA -0.069 4.571 4.640 -0.001 0.000 0.216 218 D C 1.842 178.138 176.300 -0.006 0.000 0.968 218 D CA 1.629 55.632 54.000 0.006 0.000 0.894 218 D CB -0.291 40.508 40.800 -0.001 0.000 0.909 218 D HN 0.672 nan 8.370 nan 0.000 0.520 219 T N -2.337 112.209 114.554 -0.014 0.000 3.069 219 T HA 0.214 4.564 4.350 -0.001 0.000 0.252 219 T C 0.816 175.511 174.700 -0.008 0.000 1.053 219 T CA -0.252 61.834 62.100 -0.023 0.000 0.964 219 T CB 0.081 68.930 68.868 -0.032 0.000 1.005 219 T HN -0.046 nan 8.240 nan 0.000 0.532 220 I N 1.635 122.210 120.570 0.009 0.000 2.355 220 I HA 0.560 4.730 4.170 -0.001 0.000 0.288 220 I C 1.269 177.426 176.117 0.066 0.000 0.999 220 I CA -0.975 60.343 61.300 0.031 0.000 1.163 220 I CB 1.691 39.701 38.000 0.017 0.000 1.316 220 I HN 0.107 nan 8.210 nan 0.000 0.454 221 A N 5.219 128.096 122.820 0.094 0.000 1.903 221 A HA 0.627 4.946 4.320 -0.001 0.000 0.213 221 A C 1.004 178.657 177.584 0.115 0.000 1.185 221 A CA 1.016 53.132 52.037 0.132 0.000 0.628 221 A CB 0.147 19.265 19.000 0.197 0.000 0.830 221 A HN 0.752 nan 8.150 nan 0.000 0.446 222 A N -2.061 120.818 122.820 0.097 0.000 2.606 222 A HA 0.606 4.925 4.320 -0.001 0.000 0.293 222 A C -1.607 176.050 177.584 0.122 0.000 1.082 222 A CA -0.420 51.671 52.037 0.089 0.000 0.685 222 A CB 0.606 19.622 19.000 0.028 0.000 1.284 222 A HN 0.717 nan 8.150 nan 0.000 0.408 223 F N 1.576 121.516 119.950 -0.018 0.000 2.460 223 F HA 0.679 5.206 4.527 -0.001 0.000 0.341 223 F C -0.645 175.144 175.800 -0.019 0.000 1.130 223 F CA -0.841 57.152 58.000 -0.012 0.000 0.962 223 F CB 1.057 40.079 39.000 0.036 0.000 1.171 223 F HN 0.556 nan 8.300 nan 0.000 0.436 224 I N 5.818 126.219 120.570 -0.281 0.000 2.336 224 I HA 0.706 4.876 4.170 -0.001 0.000 0.292 224 I C -0.312 175.693 176.117 -0.186 0.000 0.991 224 I CA -0.135 61.020 61.300 -0.243 0.000 1.227 224 I CB 0.666 38.381 38.000 -0.474 0.000 1.366 224 I HN 0.751 nan 8.210 nan 0.000 0.466 225 G N 5.684 114.613 108.800 0.216 0.000 2.731 225 G HA2 0.373 4.332 3.960 -0.001 0.000 0.298 225 G HA3 0.373 4.332 3.960 -0.001 0.000 0.298 225 G C -1.512 173.657 174.900 0.448 0.000 1.424 225 G CA -0.569 44.824 45.100 0.488 0.000 1.029 225 G HN 0.619 nan 8.290 nan 0.000 0.518 226 E N 2.403 122.864 120.200 0.434 0.000 2.360 226 E HA 0.163 4.513 4.350 -0.001 0.000 0.269 226 E C -1.466 175.340 176.600 0.343 0.000 1.022 226 E CA -1.414 55.148 56.400 0.269 0.000 0.887 226 E CB 1.934 31.721 29.700 0.144 0.000 0.990 226 E HN 0.184 nan 8.360 nan 0.000 0.426 227 P HA -0.109 nan 4.420 nan 0.000 0.216 227 P C 0.015 177.435 177.300 0.199 0.000 1.150 227 P CA 1.160 64.370 63.100 0.184 0.000 0.837 227 P CB 0.329 32.114 31.700 0.142 0.000 0.786 228 I N -1.549 119.091 120.570 0.117 0.000 2.533 228 I HA 0.220 4.390 4.170 -0.001 0.000 0.290 228 I C -0.879 175.261 176.117 0.038 0.000 1.056 228 I CA -1.426 59.891 61.300 0.029 0.000 1.057 228 I CB 1.547 39.614 38.000 0.112 0.000 1.240 228 I HN -0.335 nan 8.210 nan 0.000 0.423 229 L N 7.280 128.501 121.223 -0.003 0.000 2.453 229 L HA 0.261 4.601 4.340 -0.001 0.000 0.272 229 L C 1.164 178.014 176.870 -0.033 0.000 1.182 229 L CA 0.385 55.213 54.840 -0.021 0.000 0.858 229 L CB 0.708 42.732 42.059 -0.059 0.000 1.120 229 L HN 0.870 nan 8.230 nan 0.000 0.474 230 G N 0.736 109.496 108.800 -0.066 0.000 2.571 230 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.225 230 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.225 230 G C 1.102 176.022 174.900 0.034 0.000 1.731 230 G CA 0.413 45.447 45.100 -0.109 0.000 0.858 230 G HN 0.558 nan 8.290 nan 0.000 0.611 231 T N 1.347 115.891 114.554 -0.018 0.000 2.849 231 T HA -0.040 4.310 4.350 -0.001 0.000 0.270 231 T C 2.218 176.960 174.700 0.070 0.000 1.066 231 T CA 1.439 63.574 62.100 0.058 0.000 1.130 231 T CB -0.413 68.329 68.868 -0.209 0.000 0.864 231 T HN 0.366 nan 8.240 nan 0.000 0.481 232 G N 0.079 108.913 108.800 0.057 0.000 2.776 232 G HA2 0.336 4.296 3.960 -0.001 0.000 0.209 232 G HA3 0.336 4.296 3.960 -0.001 0.000 0.209 232 G C 0.954 175.866 174.900 0.019 0.000 1.145 232 G CA 0.482 45.626 45.100 0.072 0.000 0.791 232 G HN 0.760 nan 8.290 nan 0.000 0.530 233 G N -0.185 108.616 108.800 0.003 0.000 2.240 233 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.181 233 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.181 233 G C 0.386 175.255 174.900 -0.052 0.000 1.028 233 G CA -0.401 44.680 45.100 -0.032 0.000 0.760 233 G HN 0.784 nan 8.290 nan 0.000 0.508 234 I N -0.747 119.827 120.570 0.006 0.000 7.316 234 I HA -0.223 3.946 4.170 -0.001 0.000 0.126 234 I C 0.017 176.105 176.117 -0.048 0.000 1.806 234 I CA 0.512 61.832 61.300 0.032 0.000 2.125 234 I CB -0.899 37.170 38.000 0.116 0.000 3.572 234 I HN 0.139 nan 8.210 nan 0.000 0.196 235 V N 4.958 124.807 119.914 -0.108 0.000 2.304 235 V HA 0.377 4.497 4.120 -0.001 0.000 0.278 235 V C -1.866 174.178 176.094 -0.083 0.000 1.018 235 V CA -1.583 60.615 62.300 -0.169 0.000 0.814 235 V CB 1.249 32.820 31.823 -0.420 0.000 1.021 235 V HN 0.141 nan 8.190 nan 0.000 0.440 236 P HA 0.210 nan 4.420 nan 0.000 0.269 236 P C -2.482 174.772 177.300 -0.077 0.000 1.215 236 P CA -1.021 62.075 63.100 -0.007 0.000 0.780 236 P CB -0.018 31.751 31.700 0.114 0.000 0.898 237 P HA 0.252 nan 4.420 nan 0.000 0.274 237 P C -2.547 174.711 177.300 -0.069 0.000 1.231 237 P CA -1.648 61.305 63.100 -0.245 0.000 0.790 237 P CB -0.697 30.828 31.700 -0.291 0.000 0.951 238 P HA 0.091 nan 4.420 nan 0.000 0.270 238 P C -0.276 177.096 177.300 0.121 0.000 1.223 238 P CA -0.044 63.102 63.100 0.076 0.000 0.785 238 P CB 0.099 31.914 31.700 0.193 0.000 0.923 239 A N 1.735 124.609 122.820 0.091 0.000 2.520 239 A HA 0.419 4.738 4.320 -0.001 0.000 0.245 239 A C 1.527 179.185 177.584 0.124 0.000 1.072 239 A CA 0.670 52.776 52.037 0.114 0.000 0.761 239 A CB -1.437 17.603 19.000 0.068 0.000 1.004 239 A HN 0.889 nan 8.150 nan 0.000 0.499 240 G N 0.868 109.755 108.800 0.145 0.000 2.184 240 G HA2 -0.396 3.564 3.960 -0.001 0.000 0.264 240 G HA3 -0.396 3.564 3.960 -0.001 0.000 0.264 240 G C 0.832 175.798 174.900 0.110 0.000 0.975 240 G CA 1.250 46.419 45.100 0.116 0.000 0.642 240 G HN 1.459 nan 8.290 nan 0.000 0.536 241 Y N -0.243 120.056 120.300 -0.001 0.000 2.114 241 Y HA 0.009 4.559 4.550 -0.001 0.000 0.284 241 Y C 2.608 178.419 175.900 -0.148 0.000 1.143 241 Y CA 2.521 60.546 58.100 -0.125 0.000 1.135 241 Y CB -0.344 37.974 38.460 -0.235 0.000 0.980 241 Y HN 0.345 nan 8.280 nan 0.000 0.499 242 W N 0.205 121.550 121.300 0.076 0.000 2.402 242 W HA -0.120 4.540 4.660 -0.001 0.000 0.286 242 W C 2.809 179.262 176.519 -0.109 0.000 1.221 242 W CA 1.298 58.623 57.345 -0.033 0.000 1.257 242 W CB -0.526 29.014 29.460 0.132 0.000 1.120 242 W HN 0.056 nan 8.180 nan 0.000 0.551 243 E N 0.601 120.889 120.200 0.146 0.000 2.031 243 E HA -0.209 4.141 4.350 -0.001 0.000 0.193 243 E C 2.096 178.673 176.600 -0.038 0.000 0.994 243 E CA 1.551 57.984 56.400 0.055 0.000 0.800 243 E CB -0.746 28.988 29.700 0.056 0.000 0.752 243 E HN 0.264 nan 8.360 nan 0.000 0.447 244 A N 0.929 123.690 122.820 -0.099 0.000 1.883 244 A HA -0.099 4.221 4.320 -0.001 0.000 0.217 244 A C 2.313 179.754 177.584 -0.238 0.000 1.186 244 A CA 1.814 53.757 52.037 -0.156 0.000 0.624 244 A CB -0.651 18.247 19.000 -0.169 0.000 0.822 244 A HN 0.516 nan 8.150 nan 0.000 0.444 245 I N -0.045 120.282 120.570 -0.405 0.000 2.179 245 I HA -0.259 3.910 4.170 -0.001 0.000 0.242 245 I C 2.571 178.507 176.117 -0.301 0.000 1.088 245 I CA 1.661 62.670 61.300 -0.486 0.000 1.357 245 I CB -1.655 35.831 38.000 -0.856 0.000 1.051 245 I HN 0.486 nan 8.210 nan 0.000 0.409 246 Q N -0.217 119.488 119.800 -0.160 0.000 2.224 246 Q HA -0.146 4.193 4.340 -0.001 0.000 0.203 246 Q C 2.125 178.075 176.000 -0.085 0.000 0.970 246 Q CA 1.787 57.536 55.803 -0.091 0.000 0.865 246 Q CB -0.194 28.537 28.738 -0.011 0.000 0.922 246 Q HN 0.474 nan 8.270 nan 0.000 0.445 247 T N 0.259 114.761 114.554 -0.087 0.000 2.746 247 T HA -0.118 4.232 4.350 -0.001 0.000 0.267 247 T C 1.955 176.606 174.700 -0.081 0.000 1.039 247 T CA 1.234 63.290 62.100 -0.074 0.000 1.142 247 T CB -0.123 68.704 68.868 -0.068 0.000 0.866 247 T HN 0.068 nan 8.240 nan 0.000 0.444 248 V N 1.465 121.326 119.914 -0.087 0.000 2.358 248 V HA -0.074 4.046 4.120 -0.001 0.000 0.246 248 V C 2.468 178.575 176.094 0.021 0.000 1.047 248 V CA 1.352 63.636 62.300 -0.026 0.000 1.035 248 V CB -0.673 31.135 31.823 -0.025 0.000 0.658 248 V HN 0.438 nan 8.190 nan 0.000 0.452 249 L N 0.202 121.395 121.223 -0.050 0.000 2.046 249 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 249 L C 2.503 179.376 176.870 0.005 0.000 1.077 249 L CA 1.501 56.331 54.840 -0.017 0.000 0.747 249 L CB -0.869 41.136 42.059 -0.090 0.000 0.896 249 L HN 0.370 nan 8.230 nan 0.000 0.432 250 N N 0.624 119.306 118.700 -0.030 0.000 2.084 250 N HA -0.221 4.519 4.740 -0.001 0.000 0.190 250 N C 1.771 177.249 175.510 -0.052 0.000 1.030 250 N CA 1.367 54.399 53.050 -0.030 0.000 0.849 250 N CB -0.287 38.177 38.487 -0.039 0.000 1.012 250 N HN 0.327 nan 8.380 nan 0.000 0.423 251 K N 0.292 120.624 120.400 -0.113 0.000 2.113 251 K HA -0.154 4.165 4.320 -0.001 0.000 0.208 251 K C 0.976 177.400 176.600 -0.292 0.000 1.047 251 K CA 1.368 57.513 56.287 -0.237 0.000 0.928 251 K CB -0.031 32.262 32.500 -0.345 0.000 0.716 251 K HN 0.349 nan 8.250 nan 0.000 0.446 252 H N -0.299 118.764 119.070 -0.013 0.000 2.549 252 H HA 0.039 4.594 4.556 -0.001 0.000 0.279 252 H C -0.204 175.130 175.328 0.010 0.000 1.018 252 H CA 0.537 56.584 56.048 -0.002 0.000 1.175 252 H CB 0.342 30.103 29.762 -0.001 0.000 1.485 252 H HN 0.346 nan 8.280 nan 0.000 0.543 253 D N 0.888 121.341 120.400 0.088 0.000 2.699 253 D HA -0.180 4.459 4.640 -0.001 0.000 0.239 253 D C -0.521 175.837 176.300 0.098 0.000 1.136 253 D CA 0.284 54.331 54.000 0.077 0.000 0.668 253 D CB -1.655 39.184 40.800 0.066 0.000 1.060 253 D HN 0.416 nan 8.370 nan 0.000 0.429 254 I N 1.037 121.665 120.570 0.097 0.000 2.339 254 I HA 0.245 4.415 4.170 -0.001 0.000 0.290 254 I C 1.047 177.212 176.117 0.080 0.000 0.994 254 I CA -0.996 60.364 61.300 0.100 0.000 1.191 254 I CB 1.160 39.227 38.000 0.112 0.000 1.343 254 I HN -0.053 nan 8.210 nan 0.000 0.458 255 L N 5.966 127.233 121.223 0.073 0.000 2.467 255 L HA 0.133 4.472 4.340 -0.001 0.000 0.270 255 L C -0.260 176.647 176.870 0.062 0.000 1.205 255 L CA -0.208 54.650 54.840 0.029 0.000 0.828 255 L CB 0.462 42.497 42.059 -0.040 0.000 1.101 255 L HN 0.425 nan 8.230 nan 0.000 0.479 256 L N 3.271 124.516 121.223 0.038 0.000 2.287 256 L HA 0.452 4.792 4.340 -0.001 0.000 0.287 256 L C -0.595 176.296 176.870 0.036 0.000 1.022 256 L CA -0.142 54.747 54.840 0.082 0.000 0.814 256 L CB 1.590 43.676 42.059 0.045 0.000 1.217 256 L HN 0.200 nan 8.230 nan 0.000 0.420 257 V N 5.417 125.370 119.914 0.065 0.000 2.328 257 V HA 0.646 4.766 4.120 -0.001 0.000 0.278 257 V C 0.488 176.600 176.094 0.030 0.000 1.021 257 V CA -0.551 61.752 62.300 0.004 0.000 0.838 257 V CB 1.034 32.830 31.823 -0.044 0.000 0.999 257 V HN 0.933 nan 8.190 nan 0.000 0.447 258 A N 3.373 126.187 122.820 -0.009 0.000 2.343 258 A HA 0.373 4.693 4.320 -0.001 0.000 0.305 258 A C 0.153 177.757 177.584 0.034 0.000 1.308 258 A CA -0.279 51.749 52.037 -0.014 0.000 0.949 258 A CB 0.018 18.973 19.000 -0.076 0.000 1.148 258 A HN 0.784 nan 8.150 nan 0.000 0.545 259 D N 2.940 123.393 120.400 0.089 0.000 2.402 259 D HA 0.086 4.725 4.640 -0.001 0.000 0.235 259 D C 0.214 176.571 176.300 0.096 0.000 1.226 259 D CA 0.166 54.238 54.000 0.119 0.000 0.918 259 D CB 0.392 41.342 40.800 0.250 0.000 1.043 259 D HN 0.596 nan 8.370 nan 0.000 0.506 260 E N 2.797 123.045 120.200 0.079 0.000 2.411 260 E HA 0.051 4.401 4.350 -0.001 0.000 0.204 260 E C 1.500 178.125 176.600 0.041 0.000 1.059 260 E CA -0.174 56.261 56.400 0.057 0.000 1.112 260 E CB 0.939 30.693 29.700 0.089 0.000 1.168 260 E HN 0.326 nan 8.360 nan 0.000 0.445 261 V N 0.192 120.136 119.914 0.051 0.000 2.407 261 V HA -0.221 3.899 4.120 -0.001 0.000 0.248 261 V C 2.032 178.135 176.094 0.016 0.000 1.055 261 V CA 1.342 63.675 62.300 0.054 0.000 1.049 261 V CB -0.070 31.788 31.823 0.057 0.000 0.662 261 V HN 0.226 nan 8.190 nan 0.000 0.455 262 V N 0.175 120.060 119.914 -0.048 0.000 2.575 262 V HA -0.107 4.013 4.120 -0.001 0.000 0.242 262 V C 2.606 178.686 176.094 -0.022 0.000 1.045 262 V CA 2.001 64.247 62.300 -0.090 0.000 1.065 262 V CB -0.260 31.390 31.823 -0.287 0.000 0.717 262 V HN 0.767 nan 8.190 nan 0.000 0.467 263 T N -1.330 113.204 114.554 -0.034 0.000 3.067 263 T HA 0.113 4.463 4.350 -0.001 0.000 0.261 263 T C 1.154 175.763 174.700 -0.152 0.000 1.110 263 T CA 0.606 62.675 62.100 -0.052 0.000 1.113 263 T CB -0.371 68.485 68.868 -0.020 0.000 0.917 263 T HN 0.423 nan 8.240 nan 0.000 0.499 264 G N 0.810 109.491 108.800 -0.199 0.000 2.343 264 G HA2 0.399 4.359 3.960 -0.001 0.000 0.254 264 G HA3 0.399 4.359 3.960 -0.001 0.000 0.254 264 G C -0.349 174.286 174.900 -0.441 0.000 1.277 264 G CA -0.681 44.059 45.100 -0.600 0.000 0.909 264 G HN 0.376 nan 8.290 nan 0.000 0.502 265 F N 0.138 119.735 119.950 -0.589 0.000 2.986 265 F HA -0.174 4.353 4.527 -0.000 0.000 0.309 265 F C 1.565 177.358 175.800 -0.011 0.000 0.884 265 F CA 1.143 58.969 58.000 -0.291 0.000 1.263 265 F CB -1.455 37.450 39.000 -0.160 0.000 1.315 265 F HN 1.550 nan 8.300 nan 0.000 0.595 266 G N -0.729 108.051 108.800 -0.034 0.000 2.195 266 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.224 266 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.224 266 G C 0.987 175.633 174.900 -0.424 0.000 0.990 266 G CA 0.357 45.391 45.100 -0.109 0.000 0.639 266 G HN 0.647 nan 8.290 nan 0.000 0.514 267 R N 0.330 120.687 120.500 -0.238 0.000 2.127 267 R HA 0.117 4.457 4.340 -0.001 0.000 0.238 267 R C 2.201 178.282 176.300 -0.365 0.000 1.134 267 R CA 1.724 57.605 56.100 -0.364 0.000 0.975 267 R CB -0.311 30.031 30.300 0.071 0.000 0.865 267 R HN 0.511 nan 8.270 nan 0.000 0.447 268 L N -0.918 120.102 121.223 -0.337 0.000 2.554 268 L HA 0.184 4.524 4.340 -0.001 0.000 0.226 268 L C 1.239 177.893 176.870 -0.361 0.000 1.137 268 L CA 0.588 55.172 54.840 -0.426 0.000 0.863 268 L CB 0.268 41.864 42.059 -0.773 0.000 0.985 268 L HN 0.582 nan 8.230 nan 0.000 0.451 269 G N -0.173 108.440 108.800 -0.312 0.000 2.141 269 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.231 269 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.231 269 G C 0.188 175.030 174.900 -0.097 0.000 0.984 269 G CA 0.173 45.155 45.100 -0.197 0.000 0.660 269 G HN 0.296 nan 8.290 nan 0.000 0.525 273 G N 0.546 109.377 108.800 0.053 0.000 2.443 273 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.219 273 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.219 273 G C 1.457 176.435 174.900 0.130 0.000 1.131 273 G CA 1.251 46.401 45.100 0.085 0.000 0.775 273 G HN 0.562 nan 8.290 nan 0.000 0.547 274 S N 0.658 116.412 115.700 0.089 0.000 2.370 274 S HA -0.114 4.356 4.470 -0.001 0.000 0.226 274 S C 2.025 176.628 174.600 0.006 0.000 1.033 274 S CA 1.418 59.610 58.200 -0.013 0.000 1.011 274 S CB -0.204 62.963 63.200 -0.055 0.000 0.852 274 S HN 0.362 nan 8.310 nan 0.000 0.457 275 D N -0.209 120.220 120.400 0.049 0.000 2.149 275 D HA -0.058 4.582 4.640 -0.001 0.000 0.201 275 D C 1.756 178.066 176.300 0.016 0.000 0.972 275 D CA 0.991 55.007 54.000 0.027 0.000 0.835 275 D CB -0.437 40.390 40.800 0.046 0.000 0.966 275 D HN 0.492 nan 8.370 nan 0.000 0.476 276 H N -0.774 118.247 119.070 -0.082 0.000 2.293 276 H HA -0.151 4.404 4.556 -0.001 0.000 0.300 276 H C 1.177 176.367 175.328 -0.230 0.000 1.082 276 H CA 1.719 57.643 56.048 -0.207 0.000 1.308 276 H CB -0.055 29.503 29.762 -0.340 0.000 1.375 276 H HN 0.117 nan 8.280 nan 0.000 0.495 277 Y N -0.767 119.606 120.300 0.121 0.000 2.466 277 Y HA 0.227 4.776 4.550 -0.001 0.000 0.272 277 Y C 1.618 177.534 175.900 0.028 0.000 1.169 277 Y CA 0.477 58.633 58.100 0.093 0.000 1.285 277 Y CB 0.479 39.024 38.460 0.142 0.000 1.078 277 Y HN 0.458 nan 8.280 nan 0.000 0.523 278 G N 0.717 109.566 108.800 0.081 0.000 2.212 278 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.255 278 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.255 278 G C -0.583 174.313 174.900 -0.008 0.000 1.062 278 G CA -0.352 44.770 45.100 0.037 0.000 0.815 278 G HN 0.116 nan 8.290 nan 0.000 0.497 279 L N -0.006 121.153 121.223 -0.108 0.000 2.375 279 L HA 0.692 5.031 4.340 -0.001 0.000 0.271 279 L C 0.820 177.618 176.870 -0.119 0.000 1.107 279 L CA 0.670 55.396 54.840 -0.191 0.000 0.806 279 L CB 1.234 43.043 42.059 -0.417 0.000 1.146 279 L HN 0.490 nan 8.230 nan 0.000 0.447 280 E N 3.613 123.757 120.200 -0.093 0.000 2.731 280 E HA 0.422 4.772 4.350 -0.001 0.000 0.220 280 E C -2.593 173.961 176.600 -0.076 0.000 1.087 280 E CA -1.640 54.717 56.400 -0.072 0.000 1.020 280 E CB -0.317 nan 29.700 nan 0.000 1.339 280 E HN 0.444 nan 8.360 nan 0.000 0.444 281 P HA 0.379 nan 4.420 nan 0.000 0.276 281 P C -0.415 176.838 177.300 -0.079 0.000 1.244 281 P CA -0.222 62.828 63.100 -0.085 0.000 0.801 281 P CB 1.715 33.355 31.700 -0.101 0.000 1.006 282 D N 0.173 120.530 120.400 -0.072 0.000 2.392 282 D HA 0.233 4.872 4.640 -0.001 0.000 0.206 282 D C 0.428 176.672 176.300 -0.093 0.000 1.046 282 D CA 0.728 54.678 54.000 -0.083 0.000 0.865 282 D CB 0.662 41.403 40.800 -0.098 0.000 0.969 282 D HN 0.345 nan 8.370 nan 0.000 0.509 283 I N 1.322 121.841 120.570 -0.086 0.000 2.644 283 I HA 0.328 4.497 4.170 -0.001 0.000 0.291 283 I C -0.910 175.171 176.117 -0.061 0.000 1.180 283 I CA -0.593 60.661 61.300 -0.077 0.000 1.040 283 I CB 2.884 40.833 38.000 -0.085 0.000 1.255 283 I HN -0.340 nan 8.210 nan 0.000 0.422 284 I N 4.200 124.739 120.570 -0.051 0.000 2.498 284 I HA 0.357 4.527 4.170 -0.001 0.000 0.290 284 I C -0.323 175.811 176.117 0.028 0.000 1.032 284 I CA -0.500 60.786 61.300 -0.023 0.000 1.073 284 I CB 2.447 40.412 38.000 -0.059 0.000 1.251 284 I HN 0.476 nan 8.210 nan 0.000 0.426 285 T N 6.950 121.538 114.554 0.056 0.000 2.799 285 T HA 0.694 5.044 4.350 -0.001 0.000 0.286 285 T C -0.193 174.584 174.700 0.127 0.000 0.973 285 T CA -0.349 61.803 62.100 0.087 0.000 1.035 285 T CB 0.984 69.897 68.868 0.076 0.000 0.932 285 T HN 0.512 nan 8.240 nan 0.000 0.469 286 I N -0.641 120.028 120.570 0.165 0.000 2.865 286 I HA 0.986 5.156 4.170 -0.001 0.000 0.302 286 I C -0.459 175.786 176.117 0.212 0.000 1.140 286 I CA -1.314 60.119 61.300 0.221 0.000 1.021 286 I CB 2.001 40.221 38.000 0.366 0.000 1.233 286 I HN 0.805 nan 8.210 nan 0.000 0.427 287 A N 2.818 125.764 122.820 0.209 0.000 4.047 287 A HA 0.483 4.803 4.320 -0.001 0.000 0.273 287 A C 0.215 177.880 177.584 0.134 0.000 1.016 287 A CA -0.054 52.077 52.037 0.157 0.000 0.565 287 A CB -0.112 18.959 19.000 0.117 0.000 1.701 287 A HN 0.888 nan 8.150 nan 0.000 0.814 288 K N -1.764 118.688 120.400 0.087 0.000 6.999 288 K HA -0.343 3.976 4.320 -0.001 0.000 0.344 288 K C 1.443 178.063 176.600 0.033 0.000 0.603 288 K CA 2.433 58.755 56.287 0.058 0.000 1.181 288 K CB -1.612 30.931 32.500 0.072 0.000 0.790 288 K HN 1.535 nan 8.250 nan 0.000 0.953 289 G N 0.875 109.712 108.800 0.062 0.000 2.625 289 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.214 289 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.214 289 G C 1.191 176.088 174.900 -0.005 0.000 1.132 289 G CA 0.744 45.865 45.100 0.035 0.000 0.782 289 G HN 0.234 nan 8.290 nan 0.000 0.538 290 L N 1.818 123.046 121.223 0.009 0.000 2.017 290 L HA -0.011 4.329 4.340 -0.001 0.000 0.208 290 L C 2.628 179.362 176.870 -0.226 0.000 1.073 290 L CA 2.769 57.458 54.840 -0.253 0.000 0.745 290 L CB -0.623 41.434 42.059 -0.003 0.000 0.894 290 L HN 0.256 nan 8.230 nan 0.000 0.432 291 T N -5.875 108.627 114.554 -0.088 0.000 3.044 291 T HA 0.212 4.562 4.350 -0.001 0.000 0.260 291 T C 0.806 175.526 174.700 0.033 0.000 1.019 291 T CA 0.423 62.496 62.100 -0.045 0.000 0.921 291 T CB -0.057 68.809 68.868 -0.003 0.000 1.053 291 T HN 0.217 nan 8.240 nan 0.000 0.533 292 S N 1.057 116.748 115.700 -0.016 0.000 3.581 292 S HA -0.168 4.301 4.470 -0.001 0.000 0.354 292 S C 1.361 175.934 174.600 -0.045 0.000 1.059 292 S CA 0.866 59.052 58.200 -0.024 0.000 1.060 292 S CB -2.029 61.186 63.200 0.024 0.000 0.908 292 S HN 2.021 nan 8.310 nan 0.000 0.475 293 A N -2.398 120.393 122.820 -0.049 0.000 3.413 293 A HA -0.342 3.977 4.320 -0.001 0.000 0.268 293 A C 0.950 178.460 177.584 -0.123 0.000 1.128 293 A CA 2.016 53.996 52.037 -0.094 0.000 1.062 293 A CB -2.475 16.437 19.000 -0.146 0.000 1.121 293 A HN 0.859 nan 8.150 nan 0.000 0.895 294 Y N -0.896 119.350 120.300 -0.090 0.000 2.256 294 Y HA 0.213 4.762 4.550 -0.001 0.000 0.288 294 Y C 1.568 177.430 175.900 -0.064 0.000 1.155 294 Y CA 2.252 60.309 58.100 -0.072 0.000 1.203 294 Y CB 0.076 38.490 38.460 -0.077 0.000 0.980 294 Y HN 1.033 nan 8.280 nan 0.000 0.530 295 A N -0.872 121.981 122.820 0.054 0.000 2.520 295 A HA 0.570 4.890 4.320 -0.001 0.000 0.298 295 A C -2.866 174.697 177.584 -0.036 0.000 1.051 295 A CA -1.732 50.296 52.037 -0.016 0.000 0.690 295 A CB 0.854 19.840 19.000 -0.022 0.000 1.281 295 A HN -0.208 nan 8.150 nan 0.000 0.402 296 P HA 0.529 nan 4.420 nan 0.000 0.268 296 P C -0.943 176.339 177.300 -0.031 0.000 1.204 296 P CA 0.119 63.187 63.100 -0.053 0.000 0.768 296 P CB 0.692 32.341 31.700 -0.085 0.000 0.842 297 L N 1.896 123.129 121.223 0.016 0.000 2.765 297 L HA 0.452 4.792 4.340 -0.001 0.000 0.254 297 L C -0.877 176.066 176.870 0.123 0.000 0.939 297 L CA 0.115 54.996 54.840 0.069 0.000 0.949 297 L CB 1.542 43.630 42.059 0.048 0.000 1.521 297 L HN 0.590 nan 8.230 nan 0.000 0.434 298 S N 1.450 117.266 115.700 0.193 0.000 2.806 298 S HA 1.063 5.532 4.470 -0.001 0.000 0.306 298 S C -0.559 174.210 174.600 0.282 0.000 1.167 298 S CA -0.236 58.092 58.200 0.212 0.000 0.847 298 S CB 1.939 65.239 63.200 0.167 0.000 1.216 298 S HN 1.330 nan 8.310 nan 0.000 0.532 299 G N -0.280 108.657 108.800 0.228 0.000 2.742 299 G HA2 0.562 4.521 3.960 -0.001 0.000 0.296 299 G HA3 0.562 4.521 3.960 -0.001 0.000 0.296 299 G C -1.580 173.407 174.900 0.144 0.000 1.436 299 G CA -0.639 44.554 45.100 0.154 0.000 0.928 299 G HN 0.740 nan 8.290 nan 0.000 0.520 300 S N 0.951 116.724 115.700 0.122 0.000 2.594 300 S HA 0.457 4.926 4.470 -0.001 0.000 0.322 300 S C 0.161 174.779 174.600 0.030 0.000 1.085 300 S CA -0.420 57.841 58.200 0.101 0.000 1.116 300 S CB 0.419 63.708 63.200 0.148 0.000 0.979 300 S HN 0.485 nan 8.310 nan 0.000 0.465 301 I N 3.654 124.223 120.570 -0.002 0.000 2.365 301 I HA 0.439 4.609 4.170 -0.001 0.000 0.291 301 I C 0.088 176.172 176.117 -0.054 0.000 1.004 301 I CA -0.925 60.343 61.300 -0.054 0.000 1.311 301 I CB 1.007 38.956 38.000 -0.086 0.000 1.401 301 I HN 0.301 nan 8.210 nan 0.000 0.491 302 V N 2.312 122.197 119.914 -0.048 0.000 2.628 302 V HA 0.645 4.764 4.120 -0.001 0.000 0.306 302 V C 0.269 176.352 176.094 -0.018 0.000 1.045 302 V CA -0.624 61.669 62.300 -0.011 0.000 0.905 302 V CB 1.392 33.266 31.823 0.086 0.000 0.997 302 V HN 0.855 nan 8.190 nan 0.000 0.436 303 S N 1.865 117.557 115.700 -0.013 0.000 2.624 303 S HA 0.230 4.699 4.470 -0.001 0.000 0.263 303 S C 0.631 175.276 174.600 0.075 0.000 1.287 303 S CA 0.044 58.239 58.200 -0.008 0.000 0.990 303 S CB 0.838 64.022 63.200 -0.027 0.000 0.950 303 S HN 0.797 nan 8.310 nan 0.000 0.561 304 D N 0.613 121.050 120.400 0.061 0.000 2.149 304 D HA -0.132 4.508 4.640 -0.001 0.000 0.198 304 D C 1.691 178.090 176.300 0.166 0.000 0.990 304 D CA 1.359 55.436 54.000 0.128 0.000 0.839 304 D CB -0.205 40.637 40.800 0.071 0.000 0.948 304 D HN 0.700 nan 8.370 nan 0.000 0.460 305 K N 0.815 121.282 120.400 0.112 0.000 2.026 305 K HA -0.113 4.207 4.320 -0.001 0.000 0.208 305 K C 2.078 178.794 176.600 0.193 0.000 1.048 305 K CA 0.894 57.258 56.287 0.128 0.000 0.929 305 K CB 0.048 32.602 32.500 0.089 0.000 0.713 305 K HN -0.090 nan 8.250 nan 0.000 0.439 306 V N 0.560 120.554 119.914 0.132 0.000 2.358 306 V HA -0.231 3.888 4.120 -0.001 0.000 0.246 306 V C 2.026 178.252 176.094 0.220 0.000 1.047 306 V CA 1.667 64.038 62.300 0.118 0.000 1.035 306 V CB -0.662 31.105 31.823 -0.093 0.000 0.658 306 V HN 0.566 nan 8.190 nan 0.000 0.452 307 W N 1.473 122.799 121.300 0.044 0.000 2.342 307 W HA -0.241 4.418 4.660 -0.000 0.000 0.297 307 W C 2.440 178.997 176.519 0.064 0.000 1.213 307 W CA 2.265 59.635 57.345 0.042 0.000 1.251 307 W CB -0.046 29.421 29.460 0.012 0.000 1.136 307 W HN 0.266 nan 8.180 nan 0.000 0.526 308 K N 0.196 120.650 120.400 0.090 0.000 2.057 308 K HA -0.179 4.140 4.320 -0.001 0.000 0.207 308 K C 1.797 178.355 176.600 -0.071 0.000 1.049 308 K CA 1.817 58.104 56.287 0.001 0.000 0.931 308 K CB -0.332 32.213 32.500 0.075 0.000 0.714 308 K HN 0.004 nan 8.250 nan 0.000 0.440 309 V N 1.579 121.498 119.914 0.008 0.000 2.453 309 V HA -0.197 3.922 4.120 -0.001 0.000 0.247 309 V C 2.193 178.262 176.094 -0.042 0.000 1.048 309 V CA 1.311 63.600 62.300 -0.018 0.000 1.049 309 V CB -0.315 31.519 31.823 0.019 0.000 0.672 309 V HN 0.308 nan 8.190 nan 0.000 0.457 310 L N -0.373 120.804 121.223 -0.077 0.000 2.093 310 L HA -0.159 4.181 4.340 -0.001 0.000 0.208 310 L C 2.554 179.222 176.870 -0.338 0.000 1.085 310 L CA 1.535 56.284 54.840 -0.152 0.000 0.755 310 L CB -0.573 41.266 42.059 -0.366 0.000 0.904 310 L HN 0.381 nan 8.230 nan 0.000 0.435 311 E N -0.211 119.678 120.200 -0.518 0.000 2.072 311 E HA -0.280 4.069 4.350 -0.001 0.000 0.191 311 E C 2.151 178.640 176.600 -0.185 0.000 0.985 311 E CA 1.071 57.229 56.400 -0.404 0.000 0.801 311 E CB -0.045 29.435 29.700 -0.366 0.000 0.750 311 E HN 0.465 nan 8.360 nan 0.000 0.452 312 Q N 0.398 120.111 119.800 -0.144 0.000 2.061 312 Q HA -0.160 4.180 4.340 -0.001 0.000 0.204 312 Q C 2.194 178.141 176.000 -0.089 0.000 0.984 312 Q CA 1.796 57.538 55.803 -0.101 0.000 0.846 312 Q CB -0.284 28.392 28.738 -0.104 0.000 0.902 312 Q HN 0.280 nan 8.270 nan 0.000 0.421 313 G N -0.001 108.754 108.800 -0.075 0.000 2.440 313 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.218 313 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.218 313 G C 1.517 176.449 174.900 0.053 0.000 1.154 313 G CA 1.557 46.631 45.100 -0.045 0.000 0.767 313 G HN 0.600 nan 8.290 nan 0.000 0.552 314 T N -1.197 113.376 114.554 0.032 0.000 2.857 314 T HA -0.062 4.288 4.350 -0.001 0.000 0.266 314 T C 1.839 176.529 174.700 -0.017 0.000 1.048 314 T CA 1.488 63.589 62.100 0.002 0.000 1.139 314 T CB -0.250 68.582 68.868 -0.059 0.000 0.874 314 T HN 0.105 nan 8.240 nan 0.000 0.455 315 D N 1.756 122.134 120.400 -0.037 0.000 2.123 315 D HA -0.087 4.553 4.640 -0.001 0.000 0.196 315 D C 2.226 178.510 176.300 -0.027 0.000 0.992 315 D CA 1.293 55.275 54.000 -0.031 0.000 0.833 315 D CB -0.160 40.617 40.800 -0.039 0.000 0.954 315 D HN 0.667 nan 8.370 nan 0.000 0.455 316 E N -0.263 119.915 120.200 -0.036 0.000 2.170 316 E HA 0.026 4.376 4.350 -0.001 0.000 0.191 316 E C 1.209 177.794 176.600 -0.026 0.000 0.981 316 E CA 0.454 56.831 56.400 -0.040 0.000 0.830 316 E CB 0.192 29.852 29.700 -0.066 0.000 0.775 316 E HN 0.235 nan 8.360 nan 0.000 0.470 317 N N -0.258 118.437 118.700 -0.008 0.000 2.171 317 N HA 0.121 4.861 4.740 -0.001 0.000 0.212 317 N C 0.525 176.046 175.510 0.018 0.000 1.184 317 N CA 0.730 53.785 53.050 0.009 0.000 0.888 317 N CB 2.005 40.512 38.487 0.033 0.000 1.038 317 N HN 0.123 nan 8.380 nan 0.000 0.517 318 G N 2.001 110.808 108.800 0.012 0.000 2.698 318 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.225 318 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.225 318 G C -2.822 172.079 174.900 0.001 0.000 1.345 318 G CA -1.069 44.034 45.100 0.006 0.000 0.871 318 G HN 0.017 nan 8.290 nan 0.000 0.540 319 P HA 0.305 nan 4.420 nan 0.000 0.263 319 P C 0.525 177.786 177.300 -0.066 0.000 1.175 319 P CA -0.108 62.972 63.100 -0.033 0.000 0.761 319 P CB 0.378 32.062 31.700 -0.027 0.000 0.794 320 I N 2.762 123.260 120.570 -0.119 0.000 2.752 320 I HA 0.069 4.238 4.170 -0.001 0.000 0.289 320 I C 1.185 177.190 176.117 -0.188 0.000 1.197 320 I CA 0.777 61.948 61.300 -0.214 0.000 1.432 320 I CB 0.170 37.985 38.000 -0.308 0.000 1.359 320 I HN 0.432 nan 8.210 nan 0.000 0.571 321 G N 6.239 114.940 108.800 -0.166 0.000 3.316 321 G HA2 0.155 4.114 3.960 -0.001 0.000 0.255 321 G HA3 0.155 4.114 3.960 -0.001 0.000 0.255 321 G C -0.577 174.243 174.900 -0.133 0.000 0.880 321 G CA 0.082 45.109 45.100 -0.121 0.000 1.956 321 G HN 0.779 nan 8.290 nan 0.000 0.634 322 H N -0.559 118.297 119.070 -0.357 0.000 3.042 322 H HA 0.581 5.137 4.556 -0.001 0.000 0.345 322 H C -0.240 174.772 175.328 -0.526 0.000 1.052 322 H CA 0.059 55.817 56.048 -0.483 0.000 1.311 322 H CB 1.634 31.030 29.762 -0.610 0.000 1.810 322 H HN 0.460 nan 8.280 nan 0.000 0.505 323 G N 3.004 111.232 108.800 -0.954 0.000 2.702 323 G HA2 0.366 4.326 3.960 -0.001 0.000 0.296 323 G HA3 0.366 4.326 3.960 -0.001 0.000 0.296 323 G C -1.950 172.701 174.900 -0.416 0.000 1.463 323 G CA -0.981 43.669 45.100 -0.750 0.000 0.890 323 G HN 0.432 nan 8.290 nan 0.000 0.534 324 W N 1.137 122.469 121.300 0.052 0.000 2.573 324 W HA 0.456 5.116 4.660 -0.001 0.000 0.326 324 W C 1.313 177.964 176.519 0.220 0.000 1.049 324 W CA -0.795 56.611 57.345 0.102 0.000 1.220 324 W CB 2.194 31.716 29.460 0.103 0.000 1.373 324 W HN 0.562 nan 8.180 nan 0.000 0.507 325 T N 0.640 115.356 114.554 0.271 0.000 2.653 325 T HA -0.295 4.055 4.350 -0.001 0.000 0.268 325 T C 0.860 175.710 174.700 0.250 0.000 1.035 325 T CA 1.660 63.774 62.100 0.023 0.000 1.154 325 T CB -0.348 68.287 68.868 -0.388 0.000 0.862 325 T HN 0.311 nan 8.240 nan 0.000 0.441 326 Y N 1.288 121.774 120.300 0.309 0.000 2.495 326 Y HA 0.480 5.029 4.550 -0.000 0.000 0.293 326 Y C 1.253 177.354 175.900 0.335 0.000 1.186 326 Y CA -1.432 56.869 58.100 0.334 0.000 1.266 326 Y CB -0.722 37.856 38.460 0.197 0.000 1.101 326 Y HN 0.047 nan 8.280 nan 0.000 0.517 327 S N 1.065 117.061 115.700 0.493 0.000 2.537 327 S HA 0.367 4.837 4.470 -0.001 0.000 0.286 327 S C 1.158 175.908 174.600 0.250 0.000 1.299 327 S CA 0.355 58.757 58.200 0.337 0.000 1.067 327 S CB 0.042 63.367 63.200 0.207 0.000 0.864 327 S HN 0.681 nan 8.310 nan 0.000 0.494 328 A N 3.323 126.235 122.820 0.153 0.000 2.847 328 A HA -0.198 4.122 4.320 -0.001 0.000 0.263 328 A C 0.508 178.070 177.584 -0.038 0.000 1.391 328 A CA 1.001 52.984 52.037 -0.089 0.000 0.866 328 A CB -2.911 16.108 19.000 0.031 0.000 1.057 328 A HN 1.100 nan 8.150 nan 0.000 0.673 329 H N 0.375 119.463 119.070 0.030 0.000 3.192 329 H HA 0.067 4.623 4.556 -0.001 0.000 0.295 329 H C -1.102 174.204 175.328 -0.037 0.000 0.943 329 H CA 0.090 56.187 56.048 0.081 0.000 1.416 329 H CB 0.660 30.452 29.762 0.050 0.000 1.434 329 H HN 0.238 nan 8.280 nan 0.000 0.565 330 P HA -0.152 nan 4.420 nan 0.000 0.217 330 P C 1.719 179.045 177.300 0.045 0.000 1.148 330 P CA 1.160 64.232 63.100 -0.046 0.000 0.828 330 P CB 0.217 31.861 31.700 -0.094 0.000 0.783 331 I N -1.059 119.643 120.570 0.221 0.000 2.286 331 I HA -0.128 4.042 4.170 -0.001 0.000 0.245 331 I C 2.462 178.601 176.117 0.037 0.000 1.104 331 I CA 1.605 62.980 61.300 0.126 0.000 1.397 331 I CB -1.026 37.060 38.000 0.143 0.000 1.072 331 I HN 0.011 nan 8.210 nan 0.000 0.417 332 G N 0.448 109.269 108.800 0.035 0.000 2.402 332 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.216 332 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.216 332 G C 1.857 176.706 174.900 -0.086 0.000 1.162 332 G CA 0.792 45.869 45.100 -0.039 0.000 0.777 332 G HN 0.473 nan 8.290 nan 0.000 0.539 333 A N 1.277 124.016 122.820 -0.135 0.000 1.877 333 A HA 0.258 4.578 4.320 -0.001 0.000 0.216 333 A C 2.843 180.356 177.584 -0.119 0.000 1.186 333 A CA 2.333 54.246 52.037 -0.206 0.000 0.620 333 A CB -0.913 17.923 19.000 -0.273 0.000 0.822 333 A HN 0.796 nan 8.150 nan 0.000 0.443 334 A N -0.041 122.732 122.820 -0.078 0.000 1.883 334 A HA 0.090 4.409 4.320 -0.001 0.000 0.217 334 A C 2.547 180.089 177.584 -0.069 0.000 1.186 334 A CA 2.446 54.446 52.037 -0.061 0.000 0.624 334 A CB -1.180 17.797 19.000 -0.038 0.000 0.822 334 A HN 1.134 nan 8.150 nan 0.000 0.444 335 A N -0.552 122.233 122.820 -0.059 0.000 1.883 335 A HA 0.058 4.378 4.320 -0.001 0.000 0.217 335 A C 2.479 180.008 177.584 -0.092 0.000 1.186 335 A CA 2.182 54.180 52.037 -0.064 0.000 0.624 335 A CB -1.538 17.454 19.000 -0.013 0.000 0.822 335 A HN 0.822 nan 8.150 nan 0.000 0.444 336 G N -0.698 108.047 108.800 -0.092 0.000 2.440 336 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.218 336 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.218 336 G C 1.524 176.350 174.900 -0.123 0.000 1.154 336 G CA 1.282 46.312 45.100 -0.118 0.000 0.767 336 G HN 0.338 nan 8.290 nan 0.000 0.552 337 V N 1.543 121.400 119.914 -0.096 0.000 2.343 337 V HA -0.151 3.969 4.120 -0.001 0.000 0.247 337 V C 3.334 179.374 176.094 -0.089 0.000 1.051 337 V CA 2.084 64.337 62.300 -0.078 0.000 1.036 337 V CB -0.873 30.914 31.823 -0.059 0.000 0.654 337 V HN 0.488 nan 8.190 nan 0.000 0.451 338 A N 0.376 123.134 122.820 -0.103 0.000 1.902 338 A HA -0.290 4.029 4.320 -0.001 0.000 0.217 338 A C 2.071 179.568 177.584 -0.145 0.000 1.181 338 A CA 2.364 54.328 52.037 -0.121 0.000 0.623 338 A CB -0.845 18.068 19.000 -0.145 0.000 0.818 338 A HN 0.631 nan 8.150 nan 0.000 0.443 339 N N 0.071 118.671 118.700 -0.167 0.000 2.058 339 N HA -0.100 4.639 4.740 -0.001 0.000 0.191 339 N C 1.577 177.001 175.510 -0.144 0.000 1.037 339 N CA 1.836 54.780 53.050 -0.176 0.000 0.848 339 N CB -0.394 37.990 38.487 -0.172 0.000 1.021 339 N HN 0.447 nan 8.380 nan 0.000 0.422 340 L N -0.041 121.092 121.223 -0.150 0.000 2.083 340 L HA -0.129 4.210 4.340 -0.001 0.000 0.209 340 L C 2.320 179.159 176.870 -0.051 0.000 1.083 340 L CA 1.153 55.923 54.840 -0.116 0.000 0.752 340 L CB -0.355 41.622 42.059 -0.135 0.000 0.899 340 L HN 0.224 nan 8.230 nan 0.000 0.433 341 K N -0.197 120.170 120.400 -0.055 0.000 2.026 341 K HA -0.197 4.122 4.320 -0.001 0.000 0.208 341 K C 1.999 178.578 176.600 -0.034 0.000 1.048 341 K CA 1.115 57.381 56.287 -0.035 0.000 0.929 341 K CB -0.215 32.261 32.500 -0.040 0.000 0.713 341 K HN 0.030 nan 8.250 nan 0.000 0.439 342 L N 0.981 122.169 121.223 -0.058 0.000 2.083 342 L HA -0.131 4.208 4.340 -0.001 0.000 0.209 342 L C 1.958 178.815 176.870 -0.022 0.000 1.083 342 L CA 1.241 56.050 54.840 -0.052 0.000 0.752 342 L CB -0.418 41.586 42.059 -0.093 0.000 0.899 342 L HN 0.124 nan 8.230 nan 0.000 0.433 343 L N -0.746 120.468 121.223 -0.015 0.000 2.017 343 L HA -0.223 4.117 4.340 -0.001 0.000 0.208 343 L C 2.034 178.937 176.870 0.054 0.000 1.073 343 L CA 1.888 56.750 54.840 0.036 0.000 0.745 343 L CB -0.762 41.327 42.059 0.050 0.000 0.894 343 L HN 0.284 nan 8.230 nan 0.000 0.432 344 D N -0.631 119.792 120.400 0.037 0.000 2.091 344 D HA -0.155 4.484 4.640 -0.001 0.000 0.199 344 D C 2.105 178.420 176.300 0.025 0.000 0.980 344 D CA 1.322 55.344 54.000 0.037 0.000 0.831 344 D CB -0.055 40.764 40.800 0.032 0.000 0.987 344 D HN 0.440 nan 8.370 nan 0.000 0.460 345 E N 0.245 120.453 120.200 0.013 0.000 2.049 345 E HA -0.137 4.213 4.350 -0.001 0.000 0.198 345 E C 1.874 178.482 176.600 0.013 0.000 1.007 345 E CA 0.710 57.114 56.400 0.007 0.000 0.809 345 E CB -0.143 29.554 29.700 -0.005 0.000 0.749 345 E HN 0.259 nan 8.360 nan 0.000 0.450 346 L N 0.853 122.086 121.223 0.017 0.000 2.627 346 L HA 0.046 4.386 4.340 -0.001 0.000 0.233 346 L C 0.509 177.401 176.870 0.037 0.000 1.144 346 L CA -0.200 54.655 54.840 0.025 0.000 0.892 346 L CB -0.494 41.581 42.059 0.026 0.000 1.039 346 L HN 0.213 nan 8.230 nan 0.000 0.442 347 N N 0.103 118.826 118.700 0.038 0.000 2.708 347 N HA -0.241 4.499 4.740 -0.001 0.000 0.249 347 N C 0.665 176.206 175.510 0.052 0.000 1.097 347 N CA 0.503 53.576 53.050 0.038 0.000 0.710 347 N CB -1.141 37.361 38.487 0.024 0.000 1.032 347 N HN 0.342 nan 8.380 nan 0.000 0.551 348 L N -1.380 119.898 121.223 0.091 0.000 2.291 348 L HA -0.045 4.295 4.340 -0.001 0.000 0.214 348 L C 2.062 179.002 176.870 0.117 0.000 1.120 348 L CA 0.690 55.622 54.840 0.154 0.000 0.799 348 L CB -0.119 42.089 42.059 0.248 0.000 0.925 348 L HN 0.165 nan 8.230 nan 0.000 0.446 349 V N -1.298 118.655 119.914 0.064 0.000 2.358 349 V HA -0.273 3.847 4.120 -0.001 0.000 0.246 349 V C 2.633 178.659 176.094 -0.114 0.000 1.047 349 V CA 1.988 64.244 62.300 -0.073 0.000 1.035 349 V CB -0.216 31.599 31.823 -0.013 0.000 0.658 349 V HN 0.457 nan 8.190 nan 0.000 0.452 350 S N 0.266 115.940 115.700 -0.042 0.000 2.382 350 S HA -0.235 4.235 4.470 -0.001 0.000 0.228 350 S C 1.930 176.503 174.600 -0.046 0.000 1.027 350 S CA 2.048 60.226 58.200 -0.038 0.000 0.991 350 S CB -0.491 62.703 63.200 -0.011 0.000 0.823 350 S HN 0.666 nan 8.310 nan 0.000 0.469 351 N N 1.109 119.792 118.700 -0.029 0.000 2.188 351 N HA 0.059 4.799 4.740 -0.001 0.000 0.184 351 N C 1.713 177.188 175.510 -0.058 0.000 1.018 351 N CA 1.369 54.408 53.050 -0.018 0.000 0.858 351 N CB -0.513 37.992 38.487 0.029 0.000 0.989 351 N HN 0.423 nan 8.380 nan 0.000 0.426 352 A N -0.269 122.452 122.820 -0.164 0.000 1.908 352 A HA -0.022 4.298 4.320 -0.001 0.000 0.218 352 A C 2.288 179.752 177.584 -0.199 0.000 1.181 352 A CA 1.870 53.723 52.037 -0.307 0.000 0.627 352 A CB -1.408 17.079 19.000 -0.855 0.000 0.818 352 A HN 0.433 nan 8.150 nan 0.000 0.445 353 G N -0.745 107.955 108.800 -0.166 0.000 2.402 353 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.216 353 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.216 353 G C 1.468 176.345 174.900 -0.038 0.000 1.162 353 G CA 0.975 46.018 45.100 -0.095 0.000 0.777 353 G HN 0.649 nan 8.290 nan 0.000 0.539 354 E N -0.177 120.006 120.200 -0.028 0.000 2.016 354 E HA -0.040 4.309 4.350 -0.001 0.000 0.190 354 E C 2.681 179.302 176.600 0.036 0.000 0.985 354 E CA 0.960 57.362 56.400 0.003 0.000 0.802 354 E CB -0.152 29.542 29.700 -0.010 0.000 0.762 354 E HN 0.234 nan 8.360 nan 0.000 0.448 355 V N 0.954 120.882 119.914 0.023 0.000 2.809 355 V HA -0.103 4.017 4.120 -0.001 0.000 0.256 355 V C 2.117 178.272 176.094 0.101 0.000 1.080 355 V CA 1.632 63.974 62.300 0.070 0.000 1.102 355 V CB -0.553 31.292 31.823 0.036 0.000 0.705 355 V HN 0.391 nan 8.190 nan 0.000 0.475 356 G N 0.008 108.828 108.800 0.034 0.000 2.394 356 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.214 356 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.214 356 G C 1.772 176.686 174.900 0.023 0.000 1.176 356 G CA 0.851 45.957 45.100 0.010 0.000 0.786 356 G HN 0.563 nan 8.290 nan 0.000 0.533 357 A N -0.140 122.701 122.820 0.035 0.000 1.978 357 A HA -0.066 4.253 4.320 -0.001 0.000 0.220 357 A C 2.197 179.816 177.584 0.058 0.000 1.170 357 A CA 1.748 53.810 52.037 0.041 0.000 0.636 357 A CB -0.617 18.410 19.000 0.046 0.000 0.810 357 A HN 0.501 nan 8.150 nan 0.000 0.448 358 Y N -0.339 119.947 120.300 -0.024 0.000 2.220 358 Y HA -0.064 4.486 4.550 -0.000 0.000 0.291 358 Y C 1.982 177.859 175.900 -0.039 0.000 1.129 358 Y CA 1.612 59.697 58.100 -0.025 0.000 1.161 358 Y CB -0.248 38.201 38.460 -0.020 0.000 0.997 358 Y HN 0.243 nan 8.280 nan 0.000 0.522 359 L N 0.861 122.075 121.223 -0.015 0.000 2.046 359 L HA -0.218 4.121 4.340 -0.001 0.000 0.208 359 L C 1.972 178.728 176.870 -0.190 0.000 1.077 359 L CA 1.919 56.682 54.840 -0.128 0.000 0.747 359 L CB -0.990 41.033 42.059 -0.060 0.000 0.896 359 L HN 0.225 nan 8.230 nan 0.000 0.432 360 N N 0.049 118.678 118.700 -0.118 0.000 2.058 360 N HA -0.157 4.583 4.740 -0.001 0.000 0.191 360 N C 1.819 177.255 175.510 -0.123 0.000 1.037 360 N CA 1.657 54.648 53.050 -0.098 0.000 0.848 360 N CB -0.375 38.089 38.487 -0.039 0.000 1.021 360 N HN 0.523 nan 8.380 nan 0.000 0.422 361 A N 0.906 123.643 122.820 -0.138 0.000 1.883 361 A HA -0.105 4.214 4.320 -0.001 0.000 0.217 361 A C 1.628 179.094 177.584 -0.196 0.000 1.186 361 A CA 1.843 53.795 52.037 -0.142 0.000 0.624 361 A CB -1.245 17.682 19.000 -0.122 0.000 0.822 361 A HN 0.536 nan 8.150 nan 0.000 0.444 365 E N 0.507 120.675 120.200 -0.054 0.000 2.130 365 E HA -0.127 4.223 4.350 -0.001 0.000 0.196 365 E C 2.014 178.602 176.600 -0.020 0.000 0.998 365 E CA 2.397 58.776 56.400 -0.036 0.000 0.806 365 E CB -0.407 29.264 29.700 -0.050 0.000 0.738 365 E HN 1.243 nan 8.360 nan 0.000 0.459 366 A N -1.118 121.684 122.820 -0.030 0.000 2.072 366 A HA 0.301 4.621 4.320 -0.001 0.000 0.216 366 A C 2.092 179.693 177.584 0.029 0.000 1.156 366 A CA 0.922 52.956 52.037 -0.005 0.000 0.701 366 A CB -0.015 18.972 19.000 -0.022 0.000 0.816 366 A HN 0.466 nan 8.150 nan 0.000 0.458 367 L N -1.285 119.954 121.223 0.027 0.000 2.766 367 L HA 0.016 4.356 4.340 -0.001 0.000 0.241 367 L C 2.534 179.455 176.870 0.084 0.000 1.080 367 L CA 0.890 55.770 54.840 0.067 0.000 0.909 367 L CB 0.098 42.183 42.059 0.042 0.000 1.277 367 L HN 0.445 nan 8.230 nan 0.000 0.510 368 S N -0.502 115.224 115.700 0.042 0.000 2.420 368 S HA -0.229 4.241 4.470 -0.001 0.000 0.237 368 S C 1.562 176.204 174.600 0.070 0.000 1.023 368 S CA 1.367 59.592 58.200 0.041 0.000 0.991 368 S CB -0.350 62.860 63.200 0.017 0.000 0.792 368 S HN 0.403 nan 8.310 nan 0.000 0.488 369 Q N 0.322 120.169 119.800 0.078 0.000 2.280 369 Q HA 0.224 4.564 4.340 -0.001 0.000 0.202 369 Q C 0.439 176.498 176.000 0.098 0.000 0.903 369 Q CA -0.081 55.765 55.803 0.070 0.000 0.948 369 Q CB -0.675 28.089 28.738 0.044 0.000 1.058 369 Q HN 0.850 nan 8.270 nan 0.000 0.493 370 H N -0.257 118.849 119.070 0.059 0.000 2.652 370 H HA 0.379 4.935 4.556 -0.001 0.000 0.349 370 H C 1.290 176.670 175.328 0.087 0.000 1.099 370 H CA 0.497 56.594 56.048 0.081 0.000 1.417 370 H CB 1.456 31.289 29.762 0.119 0.000 1.457 370 H HN 0.232 nan 8.280 nan 0.000 0.568 371 A N 4.234 126.979 122.820 -0.126 0.000 1.940 371 A HA -0.235 4.084 4.320 -0.001 0.000 0.219 371 A C 1.620 179.311 177.584 0.179 0.000 1.176 371 A CA 1.876 53.916 52.037 0.005 0.000 0.631 371 A CB -0.374 18.578 19.000 -0.081 0.000 0.814 371 A HN 0.877 nan 8.150 nan 0.000 0.446 372 N N -1.128 117.845 118.700 0.454 0.000 2.268 372 N HA 0.250 4.990 4.740 -0.001 0.000 0.204 372 N C -0.837 174.967 175.510 0.489 0.000 1.124 372 N CA -0.101 53.237 53.050 0.480 0.000 0.838 372 N CB 0.989 39.839 38.487 0.606 0.000 0.994 372 N HN 0.164 nan 8.380 nan 0.000 0.489 373 V N 0.929 121.065 119.914 0.370 0.000 2.294 373 V HA 0.294 4.414 4.120 -0.001 0.000 0.272 373 V C 1.311 177.461 176.094 0.094 0.000 1.027 373 V CA -0.417 61.998 62.300 0.192 0.000 0.823 373 V CB 0.887 32.791 31.823 0.134 0.000 1.030 373 V HN 0.328 nan 8.190 nan 0.000 0.457 374 G N 3.425 112.263 108.800 0.064 0.000 2.422 374 G HA2 -0.052 3.907 3.960 -0.001 0.000 0.218 374 G HA3 -0.052 3.907 3.960 -0.001 0.000 0.218 374 G C 0.247 175.093 174.900 -0.090 0.000 1.140 374 G CA 0.640 45.799 45.100 0.098 0.000 0.775 374 G HN 0.626 nan 8.290 nan 0.000 0.545 375 D N -1.929 118.285 120.400 -0.310 0.000 2.706 375 D HA 0.429 5.069 4.640 -0.001 0.000 0.225 375 D C -1.405 174.744 176.300 -0.252 0.000 1.241 375 D CA -0.415 53.374 54.000 -0.352 0.000 0.784 375 D CB 2.065 42.371 40.800 -0.822 0.000 1.521 375 D HN -0.098 nan 8.370 nan 0.000 0.461 376 V N 3.554 123.382 119.914 -0.145 0.000 2.483 376 V HA 0.691 4.811 4.120 -0.001 0.000 0.297 376 V C -0.179 175.876 176.094 -0.064 0.000 1.027 376 V CA -0.623 61.616 62.300 -0.102 0.000 0.855 376 V CB 1.553 33.334 31.823 -0.070 0.000 0.995 376 V HN 0.636 nan 8.190 nan 0.000 0.424 377 R N 3.223 123.696 120.500 -0.045 0.000 2.817 377 R HA 0.998 5.337 4.340 -0.001 0.000 0.268 377 R C -0.190 176.123 176.300 0.022 0.000 1.027 377 R CA -0.578 55.519 56.100 -0.005 0.000 0.928 377 R CB 2.458 32.755 30.300 -0.005 0.000 1.228 377 R HN 1.014 nan 8.270 nan 0.000 0.469 378 G N 0.060 108.886 108.800 0.043 0.000 2.324 378 G HA2 0.351 4.311 3.960 -0.001 0.000 0.293 378 G HA3 0.351 4.311 3.960 -0.001 0.000 0.293 378 G C -1.903 173.043 174.900 0.077 0.000 1.297 378 G CA -0.545 44.592 45.100 0.060 0.000 0.853 378 G HN 0.713 nan 8.290 nan 0.000 0.535 379 E N -1.210 119.031 120.200 0.067 0.000 2.481 379 E HA 0.573 4.923 4.350 -0.001 0.000 0.301 379 E C 0.494 177.082 176.600 -0.020 0.000 0.948 379 E CA 1.439 57.872 56.400 0.055 0.000 0.804 379 E CB 1.060 30.839 29.700 0.132 0.000 1.265 379 E HN 2.354 nan 8.360 nan 0.000 0.406 380 G N 3.089 111.858 108.800 -0.052 0.000 2.582 380 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.288 380 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.288 380 G C 0.059 174.922 174.900 -0.062 0.000 1.247 380 G CA 0.042 45.081 45.100 -0.101 0.000 0.972 380 G HN 0.681 nan 8.290 nan 0.000 0.557 381 L N 0.671 121.843 121.223 -0.085 0.000 2.873 381 L HA 0.459 4.799 4.340 -0.001 0.000 0.236 381 L C 0.009 176.901 176.870 0.036 0.000 1.375 381 L CA 0.024 54.858 54.840 -0.009 0.000 1.239 381 L CB -0.604 41.467 42.059 0.021 0.000 1.603 381 L HN 0.244 nan 8.230 nan 0.000 0.430 382 L N -0.101 121.147 121.223 0.042 0.000 2.409 382 L HA 0.525 4.865 4.340 -0.001 0.000 0.272 382 L C -0.969 175.963 176.870 0.104 0.000 0.980 382 L CA -0.401 54.490 54.840 0.086 0.000 0.826 382 L CB 2.563 44.671 42.059 0.082 0.000 1.268 382 L HN 0.170 nan 8.230 nan 0.000 0.407 383 C N 3.372 122.779 119.300 0.179 0.000 2.985 383 C HA 0.953 5.413 4.460 -0.001 0.000 0.332 383 C C -0.958 174.230 174.990 0.329 0.000 1.164 383 C CA -0.159 58.969 59.018 0.183 0.000 1.347 383 C CB 1.228 29.010 27.740 0.070 0.000 1.764 383 C HN 0.973 nan 8.230 nan 0.000 0.489 384 A N 3.721 126.663 122.820 0.203 0.000 2.539 384 A HA 0.868 5.187 4.320 -0.001 0.000 0.296 384 A C -1.692 175.922 177.584 0.050 0.000 1.073 384 A CA -0.412 51.728 52.037 0.172 0.000 0.700 384 A CB 1.678 20.719 19.000 0.069 0.000 1.296 384 A HN 1.171 nan 8.150 nan 0.000 0.405 385 V N 1.494 121.397 119.914 -0.018 0.000 2.444 385 V HA 0.464 4.584 4.120 -0.001 0.000 0.294 385 V C -0.210 175.555 176.094 -0.548 0.000 1.022 385 V CA -0.364 61.786 62.300 -0.251 0.000 0.850 385 V CB 1.399 33.108 31.823 -0.190 0.000 0.992 385 V HN 0.965 nan 8.190 nan 0.000 0.426 386 E N 3.983 123.868 120.200 -0.525 0.000 2.166 386 E HA 0.585 4.934 4.350 -0.001 0.000 0.275 386 E C -1.522 174.818 176.600 -0.435 0.000 0.941 386 E CA -0.566 55.571 56.400 -0.438 0.000 0.784 386 E CB 1.073 30.616 29.700 -0.262 0.000 1.115 386 E HN 0.476 nan 8.360 nan 0.000 0.399 387 F N 3.731 123.799 119.950 0.196 0.000 2.404 387 F HA 0.372 4.899 4.527 -0.001 0.000 0.339 387 F C -0.004 176.046 175.800 0.416 0.000 1.105 387 F CA -0.823 57.352 58.000 0.292 0.000 1.087 387 F CB 1.477 40.654 39.000 0.295 0.000 1.143 387 F HN 0.204 nan 8.300 nan 0.000 0.491 388 V N 0.483 120.672 119.914 0.459 0.000 2.709 388 V HA 0.489 4.609 4.120 -0.001 0.000 0.308 388 V C 0.506 176.381 176.094 -0.365 0.000 1.062 388 V CA -1.203 61.120 62.300 0.039 0.000 0.901 388 V CB 1.862 33.636 31.823 -0.081 0.000 1.003 388 V HN 0.836 nan 8.190 nan 0.000 0.425 389 K N 1.653 121.433 120.400 -1.032 0.000 2.097 389 K HA -0.056 4.263 4.320 -0.001 0.000 0.206 389 K C 0.193 176.550 176.600 -0.406 0.000 1.049 389 K CA 2.002 57.612 56.287 -1.128 0.000 0.933 389 K CB 0.151 32.051 32.500 -1.000 0.000 0.717 389 K HN 0.971 nan 8.250 nan 0.000 0.442 390 D N -1.414 118.795 120.400 -0.318 0.000 2.855 390 D HA 0.194 4.834 4.640 -0.001 0.000 0.241 390 D C 0.117 176.312 176.300 -0.176 0.000 1.277 390 D CA -0.522 53.366 54.000 -0.188 0.000 0.918 390 D CB 1.311 42.012 40.800 -0.165 0.000 1.462 390 D HN -0.066 nan 8.370 nan 0.000 0.559 391 R N 1.853 122.295 120.500 -0.096 0.000 2.062 391 R HA -0.048 4.292 4.340 -0.001 0.000 0.229 391 R C 1.334 177.579 176.300 -0.092 0.000 1.128 391 R CA 0.872 56.931 56.100 -0.069 0.000 0.960 391 R CB -0.055 30.244 30.300 -0.003 0.000 0.855 391 R HN 0.550 nan 8.270 nan 0.000 0.432 392 D N 0.296 120.648 120.400 -0.080 0.000 2.144 392 D HA -0.120 4.520 4.640 -0.001 0.000 0.199 392 D C 1.632 177.867 176.300 -0.109 0.000 0.984 392 D CA 1.756 55.710 54.000 -0.076 0.000 0.834 392 D CB 0.165 40.932 40.800 -0.056 0.000 0.955 392 D HN 0.247 nan 8.370 nan 0.000 0.465 393 S N -0.490 115.129 115.700 -0.135 0.000 2.503 393 S HA 0.029 4.499 4.470 -0.001 0.000 0.217 393 S C 1.137 175.594 174.600 -0.238 0.000 0.999 393 S CA 0.171 58.276 58.200 -0.159 0.000 0.914 393 S CB 0.335 63.451 63.200 -0.140 0.000 0.782 393 S HN 0.315 nan 8.310 nan 0.000 0.520 394 R N 1.131 121.450 120.500 -0.301 0.000 3.332 394 R HA -0.121 4.219 4.340 -0.001 0.000 0.263 394 R C -1.322 174.571 176.300 -0.677 0.000 1.053 394 R CA 0.816 56.612 56.100 -0.506 0.000 0.705 394 R CB -2.378 27.590 30.300 -0.554 0.000 1.166 394 R HN 0.477 nan 8.270 nan 0.000 0.427 395 T N 1.836 116.097 114.554 -0.489 0.000 2.794 395 T HA 0.350 4.700 4.350 -0.001 0.000 0.296 395 T C 0.089 174.471 174.700 -0.530 0.000 0.949 395 T CA 0.116 61.972 62.100 -0.406 0.000 1.101 395 T CB 0.243 68.964 68.868 -0.246 0.000 0.905 395 T HN 0.158 nan 8.240 nan 0.000 0.516 396 F N 1.895 121.771 119.950 -0.123 0.000 2.377 396 F HA 0.522 5.048 4.527 -0.001 0.000 0.328 396 F C 0.610 176.338 175.800 -0.120 0.000 1.094 396 F CA -1.362 56.587 58.000 -0.084 0.000 1.093 396 F CB 0.446 39.461 39.000 0.024 0.000 1.214 396 F HN 0.457 nan 8.300 nan 0.000 0.518 397 F N 0.379 120.480 119.950 0.252 0.000 2.485 397 F HA 0.045 4.572 4.527 -0.001 0.000 0.327 397 F C 0.927 176.810 175.800 0.138 0.000 1.203 397 F CA -0.209 57.880 58.000 0.148 0.000 1.295 397 F CB 0.126 39.198 39.000 0.120 0.000 1.191 397 F HN 0.355 nan 8.300 nan 0.000 0.588 398 D N 0.794 121.369 120.400 0.292 0.000 2.424 398 D HA 0.137 4.777 4.640 -0.001 0.000 0.244 398 D C 0.823 177.219 176.300 0.159 0.000 1.134 398 D CA 0.290 54.394 54.000 0.173 0.000 0.881 398 D CB 1.486 42.360 40.800 0.124 0.000 1.191 398 D HN 0.581 nan 8.370 nan 0.000 0.445 399 A N 4.098 126.982 122.820 0.105 0.000 1.940 399 A HA -0.146 4.173 4.320 -0.001 0.000 0.219 399 A C 2.083 179.697 177.584 0.049 0.000 1.176 399 A CA 2.125 54.206 52.037 0.073 0.000 0.631 399 A CB -0.709 18.313 19.000 0.037 0.000 0.814 399 A HN 0.681 nan 8.150 nan 0.000 0.446 400 A N -0.243 122.602 122.820 0.042 0.000 2.125 400 A HA -0.128 4.192 4.320 -0.001 0.000 0.219 400 A C 1.412 179.004 177.584 0.012 0.000 1.156 400 A CA 1.729 53.780 52.037 0.022 0.000 0.671 400 A CB -0.514 18.498 19.000 0.020 0.000 0.794 400 A HN 0.461 nan 8.150 nan 0.000 0.459 401 D N -0.233 120.181 120.400 0.023 0.000 2.363 401 D HA 0.015 4.654 4.640 -0.001 0.000 0.220 401 D C 0.240 176.501 176.300 -0.065 0.000 0.994 401 D CA 0.432 54.423 54.000 -0.015 0.000 0.890 401 D CB -0.263 40.539 40.800 0.003 0.000 0.906 401 D HN 0.469 nan 8.370 nan 0.000 0.530 402 K N 0.266 120.642 120.400 -0.040 0.000 3.177 402 K HA -0.200 4.120 4.320 -0.001 0.000 0.266 402 K C 0.622 177.151 176.600 -0.118 0.000 0.937 402 K CA -0.203 56.049 56.287 -0.058 0.000 0.702 402 K CB -0.735 31.732 32.500 -0.054 0.000 1.365 402 K HN 0.181 nan 8.250 nan 0.000 0.466 403 I N -0.376 120.093 120.570 -0.169 0.000 2.179 403 I HA -0.179 3.991 4.170 -0.001 0.000 0.242 403 I C 2.688 178.663 176.117 -0.236 0.000 1.088 403 I CA 2.102 63.213 61.300 -0.315 0.000 1.357 403 I CB -1.555 36.099 38.000 -0.576 0.000 1.051 403 I HN 0.564 nan 8.210 nan 0.000 0.409 404 G N 2.043 110.805 108.800 -0.063 0.000 2.480 404 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.216 404 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.216 404 G C -0.448 174.421 174.900 -0.052 0.000 1.200 404 G CA 0.684 45.798 45.100 0.023 0.000 0.782 404 G HN 0.294 nan 8.290 nan 0.000 0.554 405 P HA -0.099 nan 4.420 nan 0.000 0.216 405 P C 1.920 179.162 177.300 -0.096 0.000 1.150 405 P CA 1.325 64.378 63.100 -0.078 0.000 0.843 405 P CB -0.055 31.607 31.700 -0.065 0.000 0.787 406 Q N -0.993 118.735 119.800 -0.119 0.000 2.079 406 Q HA -0.098 4.241 4.340 -0.001 0.000 0.200 406 Q C 2.226 178.142 176.000 -0.140 0.000 0.974 406 Q CA 1.137 56.861 55.803 -0.131 0.000 0.840 406 Q CB -0.508 28.133 28.738 -0.161 0.000 0.898 406 Q HN 0.288 nan 8.270 nan 0.000 0.430 407 I N 0.132 120.594 120.570 -0.180 0.000 2.179 407 I HA -0.273 3.896 4.170 -0.001 0.000 0.242 407 I C 2.635 178.699 176.117 -0.089 0.000 1.088 407 I CA 1.015 62.213 61.300 -0.170 0.000 1.357 407 I CB -0.421 37.412 38.000 -0.279 0.000 1.051 407 I HN 0.194 nan 8.210 nan 0.000 0.409 408 S N 0.893 116.543 115.700 -0.083 0.000 2.359 408 S HA -0.206 4.264 4.470 -0.001 0.000 0.224 408 S C 2.223 176.777 174.600 -0.077 0.000 1.035 408 S CA 1.547 59.695 58.200 -0.087 0.000 1.018 408 S CB -0.227 62.899 63.200 -0.123 0.000 0.876 408 S HN 0.463 nan 8.310 nan 0.000 0.448 409 A N 1.069 123.841 122.820 -0.079 0.000 1.933 409 A HA -0.057 4.262 4.320 -0.001 0.000 0.218 409 A C 2.088 179.640 177.584 -0.055 0.000 1.175 409 A CA 2.068 54.064 52.037 -0.068 0.000 0.628 409 A CB -0.681 18.276 19.000 -0.070 0.000 0.814 409 A HN 0.551 nan 8.150 nan 0.000 0.444 410 K N -0.375 119.990 120.400 -0.059 0.000 2.057 410 K HA -0.052 4.268 4.320 -0.001 0.000 0.206 410 K C 1.730 178.315 176.600 -0.024 0.000 1.050 410 K CA 1.297 57.556 56.287 -0.046 0.000 0.935 410 K CB -0.589 31.875 32.500 -0.061 0.000 0.715 410 K HN 0.304 nan 8.250 nan 0.000 0.439 411 L N 0.513 121.727 121.223 -0.015 0.000 2.079 411 L HA -0.095 4.244 4.340 -0.001 0.000 0.210 411 L C 2.017 178.895 176.870 0.014 0.000 1.081 411 L CA 1.548 56.397 54.840 0.015 0.000 0.752 411 L CB -0.651 41.430 42.059 0.037 0.000 0.896 411 L HN 0.340 nan 8.230 nan 0.000 0.433 412 L N -0.890 120.329 121.223 -0.007 0.000 2.044 412 L HA -0.123 4.217 4.340 -0.001 0.000 0.205 412 L C 2.582 179.449 176.870 -0.005 0.000 1.075 412 L CA 2.015 56.851 54.840 -0.007 0.000 0.747 412 L CB -0.809 41.233 42.059 -0.028 0.000 0.903 412 L HN 0.293 nan 8.230 nan 0.000 0.435 413 E N -0.970 119.222 120.200 -0.014 0.000 2.106 413 E HA -0.210 4.139 4.350 -0.001 0.000 0.192 413 E C 2.165 178.763 176.600 -0.005 0.000 0.984 413 E CA 1.567 57.958 56.400 -0.014 0.000 0.806 413 E CB -0.144 29.542 29.700 -0.024 0.000 0.750 413 E HN 0.752 nan 8.360 nan 0.000 0.458 414 Q N -0.877 118.923 119.800 -0.001 0.000 2.123 414 Q HA -0.004 4.335 4.340 -0.001 0.000 0.196 414 Q C 1.288 177.299 176.000 0.019 0.000 0.958 414 Q CA 1.335 57.142 55.803 0.006 0.000 0.841 414 Q CB 0.313 29.054 28.738 0.006 0.000 0.915 414 Q HN 0.321 nan 8.270 nan 0.000 0.455 415 D N -0.649 119.768 120.400 0.028 0.000 2.500 415 D HA 0.114 4.754 4.640 -0.001 0.000 0.217 415 D C -0.600 175.735 176.300 0.057 0.000 1.159 415 D CA 0.023 54.050 54.000 0.044 0.000 0.828 415 D CB 0.689 41.520 40.800 0.052 0.000 1.039 415 D HN 0.023 nan 8.370 nan 0.000 0.512 416 K N 0.743 121.169 120.400 0.044 0.000 3.077 416 K HA -0.176 4.143 4.320 -0.001 0.000 0.264 416 K C -0.368 176.271 176.600 0.064 0.000 1.008 416 K CA 0.540 56.859 56.287 0.052 0.000 0.740 416 K CB -1.288 31.252 32.500 0.066 0.000 1.273 416 K HN 0.324 nan 8.250 nan 0.000 0.477 417 I N 1.177 121.776 120.570 0.049 0.000 2.433 417 I HA 0.350 4.519 4.170 -0.001 0.000 0.292 417 I C 0.407 176.540 176.117 0.027 0.000 1.001 417 I CA -1.018 60.310 61.300 0.048 0.000 1.119 417 I CB 1.625 39.674 38.000 0.081 0.000 1.289 417 I HN 0.013 nan 8.210 nan 0.000 0.438 418 I N 5.731 126.310 120.570 0.015 0.000 2.304 418 I HA 0.557 4.727 4.170 -0.001 0.000 0.291 418 I C 0.177 176.285 176.117 -0.016 0.000 1.018 418 I CA -0.055 61.235 61.300 -0.016 0.000 1.260 418 I CB 1.181 39.174 38.000 -0.011 0.000 1.390 418 I HN 0.616 nan 8.210 nan 0.000 0.475 419 A N 6.767 129.512 122.820 -0.124 0.000 2.449 419 A HA 0.676 4.996 4.320 -0.001 0.000 0.302 419 A C -0.732 176.604 177.584 -0.414 0.000 1.048 419 A CA -0.764 51.092 52.037 -0.301 0.000 0.708 419 A CB 1.679 20.373 19.000 -0.511 0.000 1.274 419 A HN 0.737 nan 8.150 nan 0.000 0.410 420 R N 1.565 121.682 120.500 -0.638 0.000 2.312 420 R HA 0.637 4.976 4.340 -0.001 0.000 0.311 420 R C 0.267 176.321 176.300 -0.410 0.000 1.004 420 R CA 0.060 55.745 56.100 -0.691 0.000 0.902 420 R CB 1.164 30.626 30.300 -1.397 0.000 1.073 420 R HN 0.973 nan 8.270 nan 0.000 0.457 424 Q N -0.205 119.621 119.800 0.044 0.000 2.463 424 Q HA 0.042 4.381 4.340 -0.001 0.000 0.299 424 Q C 0.133 176.148 176.000 0.025 0.000 1.353 424 Q CA 1.390 57.213 55.803 0.032 0.000 0.828 424 Q CB -1.527 27.243 28.738 0.054 0.000 1.157 424 Q HN 1.171 nan 8.270 nan 0.000 0.436 425 G N -0.221 108.600 108.800 0.035 0.000 2.313 425 G HA2 0.253 4.213 3.960 -0.001 0.000 0.296 425 G HA3 0.253 4.213 3.960 -0.001 0.000 0.296 425 G C -1.994 172.977 174.900 0.117 0.000 1.356 425 G CA -0.558 44.571 45.100 0.049 0.000 0.833 425 G HN 0.063 nan 8.290 nan 0.000 0.552 426 D N 0.831 121.357 120.400 0.210 0.000 2.479 426 D HA 0.503 5.143 4.640 -0.001 0.000 0.247 426 D C -0.416 176.076 176.300 0.321 0.000 1.119 426 D CA 0.232 54.414 54.000 0.303 0.000 0.922 426 D CB 1.066 42.115 40.800 0.416 0.000 1.014 426 D HN 0.342 nan 8.370 nan 0.000 0.510 427 I N 1.809 122.492 120.570 0.188 0.000 2.499 427 I HA 0.208 4.377 4.170 -0.001 0.000 0.288 427 I C -0.822 175.324 176.117 0.048 0.000 1.048 427 I CA -0.975 60.364 61.300 0.065 0.000 1.062 427 I CB 2.536 40.567 38.000 0.052 0.000 1.238 427 I HN -0.022 nan 8.210 nan 0.000 0.426 428 L N 6.073 127.306 121.223 0.016 0.000 2.272 428 L HA 0.782 5.122 4.340 -0.001 0.000 0.289 428 L C 0.196 176.933 176.870 -0.222 0.000 1.032 428 L CA 0.222 55.018 54.840 -0.073 0.000 0.810 428 L CB 1.066 43.169 42.059 0.074 0.000 1.205 428 L HN 0.646 nan 8.230 nan 0.000 0.422 429 G N 3.820 112.422 108.800 -0.331 0.000 2.432 429 G HA2 0.635 4.595 3.960 -0.001 0.000 0.331 429 G HA3 0.635 4.595 3.960 -0.001 0.000 0.331 429 G C -1.564 173.169 174.900 -0.277 0.000 1.170 429 G CA -0.358 44.662 45.100 -0.133 0.000 0.943 429 G HN 0.380 nan 8.290 nan 0.000 0.483 430 F N 0.286 120.385 119.950 0.248 0.000 2.539 430 F HA 0.634 5.161 4.527 -0.001 0.000 0.318 430 F C 0.288 176.056 175.800 -0.054 0.000 1.135 430 F CA -0.907 57.190 58.000 0.163 0.000 0.915 430 F CB 2.907 41.955 39.000 0.080 0.000 1.176 430 F HN 0.617 nan 8.300 nan 0.000 0.440 431 A N 4.102 126.814 122.820 -0.180 0.000 3.266 431 A HA 0.658 4.978 4.320 -0.001 0.000 0.310 431 A C -3.056 174.423 177.584 -0.176 0.000 1.066 431 A CA -1.460 50.384 52.037 -0.322 0.000 0.839 431 A CB 0.002 18.494 19.000 -0.846 0.000 1.192 431 A HN 0.303 nan 8.150 nan 0.000 0.496 432 P HA 0.438 nan 4.420 nan 0.000 0.279 432 P C -2.807 174.542 177.300 0.082 0.000 1.252 432 P CA -1.619 61.511 63.100 0.051 0.000 0.811 432 P CB 0.035 31.786 31.700 0.084 0.000 1.035 433 P HA -0.027 nan 4.420 nan 0.000 0.266 433 P C 0.475 177.885 177.300 0.184 0.000 1.193 433 P CA 0.412 63.522 63.100 0.017 0.000 0.770 433 P CB -0.072 31.623 31.700 -0.009 0.000 0.836 434 F N 0.358 120.302 119.950 -0.011 0.000 2.546 434 F HA -0.053 4.474 4.527 -0.001 0.000 0.298 434 F C 1.977 177.780 175.800 0.006 0.000 1.120 434 F CA -0.097 57.901 58.000 -0.004 0.000 1.456 434 F CB -1.888 37.108 39.000 -0.006 0.000 1.088 434 F HN 0.335 nan 8.300 nan 0.000 0.572 435 C N -1.123 118.284 119.300 0.177 0.000 2.626 435 C HA 0.393 4.853 4.460 -0.001 0.000 0.266 435 C C 1.171 176.217 174.990 0.093 0.000 1.317 435 C CA -1.099 57.988 59.018 0.116 0.000 1.716 435 C CB -2.132 25.662 27.740 0.090 0.000 1.819 435 C HN 0.173 nan 8.230 nan 0.000 0.578 436 L N 3.865 125.145 121.223 0.096 0.000 2.578 436 L HA 0.251 4.590 4.340 -0.001 0.000 0.279 436 L C 0.897 177.801 176.870 0.056 0.000 1.227 436 L CA 1.327 56.209 54.840 0.071 0.000 0.900 436 L CB 0.356 42.458 42.059 0.071 0.000 1.144 436 L HN 0.626 nan 8.230 nan 0.000 0.496 437 T N 1.554 116.138 114.554 0.049 0.000 2.912 437 T HA 0.410 4.759 4.350 -0.001 0.000 0.280 437 T C 1.270 175.974 174.700 0.007 0.000 0.989 437 T CA -0.583 61.529 62.100 0.020 0.000 0.995 437 T CB 0.949 69.834 68.868 0.028 0.000 1.077 437 T HN 0.642 nan 8.240 nan 0.000 0.531 438 R N 0.318 120.773 120.500 -0.074 0.000 2.081 438 R HA -0.037 4.303 4.340 -0.001 0.000 0.235 438 R C 2.763 179.069 176.300 0.010 0.000 1.131 438 R CA 1.372 57.380 56.100 -0.153 0.000 0.960 438 R CB -0.917 29.098 30.300 -0.475 0.000 0.856 438 R HN 0.823 nan 8.270 nan 0.000 0.436 439 A N 1.325 124.149 122.820 0.007 0.000 1.908 439 A HA -0.228 4.091 4.320 -0.001 0.000 0.218 439 A C 1.905 179.537 177.584 0.080 0.000 1.181 439 A CA 1.610 53.677 52.037 0.050 0.000 0.627 439 A CB -0.369 18.657 19.000 0.043 0.000 0.818 439 A HN 0.338 nan 8.150 nan 0.000 0.445 440 E N -0.376 119.872 120.200 0.081 0.000 2.106 440 E HA -0.035 4.314 4.350 -0.001 0.000 0.192 440 E C 2.300 178.941 176.600 0.068 0.000 0.984 440 E CA 0.843 57.292 56.400 0.083 0.000 0.806 440 E CB -0.281 29.460 29.700 0.068 0.000 0.750 440 E HN 0.622 nan 8.360 nan 0.000 0.458 441 A N 1.739 124.612 122.820 0.088 0.000 1.902 441 A HA -0.239 4.081 4.320 -0.001 0.000 0.217 441 A C 1.689 179.322 177.584 0.082 0.000 1.181 441 A CA 1.784 53.878 52.037 0.094 0.000 0.623 441 A CB -0.428 18.695 19.000 0.205 0.000 0.818 441 A HN 0.102 nan 8.150 nan 0.000 0.443 442 D N -0.221 120.262 120.400 0.138 0.000 2.123 442 D HA -0.175 4.465 4.640 -0.001 0.000 0.196 442 D C 2.156 178.491 176.300 0.058 0.000 0.992 442 D CA 1.609 55.671 54.000 0.103 0.000 0.833 442 D CB -0.432 40.442 40.800 0.123 0.000 0.954 442 D HN 0.668 nan 8.370 nan 0.000 0.455 443 Q N 0.046 119.886 119.800 0.066 0.000 2.167 443 Q HA -0.050 4.289 4.340 -0.001 0.000 0.202 443 Q C 2.347 178.377 176.000 0.051 0.000 0.970 443 Q CA 0.602 56.443 55.803 0.064 0.000 0.855 443 Q CB 0.231 29.021 28.738 0.088 0.000 0.911 443 Q HN 0.183 nan 8.270 nan 0.000 0.438 444 V N 0.002 119.934 119.914 0.030 0.000 2.323 444 V HA -0.186 3.934 4.120 -0.001 0.000 0.244 444 V C 2.210 178.288 176.094 -0.027 0.000 1.041 444 V CA 1.158 63.471 62.300 0.021 0.000 1.025 444 V CB -0.387 31.429 31.823 -0.012 0.000 0.656 444 V HN 0.148 nan 8.190 nan 0.000 0.451 445 V N 0.268 120.135 119.914 -0.078 0.000 2.255 445 V HA -0.301 3.819 4.120 -0.001 0.000 0.247 445 V C 2.447 178.529 176.094 -0.020 0.000 1.051 445 V CA 2.324 64.567 62.300 -0.094 0.000 1.018 445 V CB -0.712 31.046 31.823 -0.108 0.000 0.641 445 V HN 0.601 nan 8.190 nan 0.000 0.445 446 E N 0.204 120.408 120.200 0.005 0.000 2.110 446 E HA -0.142 4.208 4.350 -0.001 0.000 0.193 446 E C 2.272 178.895 176.600 0.038 0.000 0.988 446 E CA 1.203 57.618 56.400 0.025 0.000 0.804 446 E CB -0.472 29.247 29.700 0.032 0.000 0.745 446 E HN 0.653 nan 8.360 nan 0.000 0.458 447 G N 0.190 109.019 108.800 0.049 0.000 2.421 447 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.217 447 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.217 447 G C 1.596 176.541 174.900 0.075 0.000 1.143 447 G CA 1.004 46.141 45.100 0.062 0.000 0.784 447 G HN 0.163 nan 8.290 nan 0.000 0.541 448 T N 1.204 115.817 114.554 0.098 0.000 2.770 448 T HA -0.085 4.265 4.350 -0.001 0.000 0.263 448 T C 2.225 176.981 174.700 0.094 0.000 1.039 448 T CA 1.020 63.205 62.100 0.142 0.000 1.142 448 T CB -0.228 68.769 68.868 0.215 0.000 0.868 448 T HN 0.118 nan 8.240 nan 0.000 0.435 449 L N 1.609 122.871 121.223 0.065 0.000 2.042 449 L HA -0.051 4.288 4.340 -0.001 0.000 0.210 449 L C 2.362 179.257 176.870 0.042 0.000 1.076 449 L CA 1.743 56.615 54.840 0.052 0.000 0.749 449 L CB -0.560 41.526 42.059 0.046 0.000 0.893 449 L HN 0.092 nan 8.230 nan 0.000 0.432 450 R N -0.881 119.642 120.500 0.039 0.000 2.115 450 R HA -0.056 4.284 4.340 -0.001 0.000 0.230 450 R C 2.174 178.481 176.300 0.012 0.000 1.111 450 R CA 1.112 57.229 56.100 0.028 0.000 0.976 450 R CB -0.474 29.842 30.300 0.028 0.000 0.870 450 R HN 0.535 nan 8.270 nan 0.000 0.445 451 A N 0.562 123.390 122.820 0.013 0.000 1.897 451 A HA -0.070 4.250 4.320 -0.001 0.000 0.215 451 A C 2.304 179.851 177.584 -0.062 0.000 1.181 451 A CA 1.017 53.045 52.037 -0.015 0.000 0.620 451 A CB -0.358 18.646 19.000 0.006 0.000 0.821 451 A HN 0.088 nan 8.150 nan 0.000 0.443 452 V N 0.324 120.205 119.914 -0.056 0.000 2.343 452 V HA -0.263 3.857 4.120 -0.001 0.000 0.247 452 V C 2.430 178.452 176.094 -0.120 0.000 1.051 452 V CA 2.322 64.529 62.300 -0.155 0.000 1.036 452 V CB -0.666 31.085 31.823 -0.120 0.000 0.654 452 V HN 0.525 nan 8.190 nan 0.000 0.451 453 K N 0.282 120.670 120.400 -0.020 0.000 2.057 453 K HA -0.068 4.251 4.320 -0.001 0.000 0.206 453 K C 2.278 178.886 176.600 0.015 0.000 1.050 453 K CA 1.370 57.689 56.287 0.052 0.000 0.935 453 K CB -0.388 32.156 32.500 0.073 0.000 0.715 453 K HN 0.462 nan 8.250 nan 0.000 0.439 454 A N 0.817 123.628 122.820 -0.015 0.000 2.019 454 A HA -0.090 4.230 4.320 -0.001 0.000 0.219 454 A C 2.193 179.746 177.584 -0.052 0.000 1.164 454 A CA 1.276 53.297 52.037 -0.026 0.000 0.644 454 A CB -0.201 18.782 19.000 -0.028 0.000 0.805 454 A HN 0.076 nan 8.150 nan 0.000 0.449 455 V N -1.207 118.653 119.914 -0.091 0.000 2.672 455 V HA 0.076 4.195 4.120 -0.001 0.000 0.242 455 V C 1.899 177.921 176.094 -0.121 0.000 1.059 455 V CA 1.179 63.398 62.300 -0.135 0.000 1.081 455 V CB -0.167 31.523 31.823 -0.223 0.000 0.752 455 V HN 0.505 nan 8.190 nan 0.000 0.472 456 L N -0.276 120.890 121.223 -0.094 0.000 2.766 456 L HA 0.563 4.902 4.340 -0.001 0.000 0.242 456 L C 1.043 177.992 176.870 0.132 0.000 1.136 456 L CA 0.540 55.383 54.840 0.004 0.000 0.933 456 L CB 0.128 42.192 42.059 0.009 0.000 1.241 456 L HN 0.501 nan 8.230 nan 0.000 0.522 457 G N 0.000 108.866 108.800 0.109 0.000 5.446 457 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 457 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 457 G CA 0.000 45.174 45.100 0.124 0.000 0.502 457 G HN 0.000 nan 8.290 nan 0.000 0.925