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 2a3b_1_B DATA FIRST_RESID 39 DATA SEQUENCE ASSGYRSVVY FVNWAIYGRN HNPQDLPVER LTHVLYAFAN VRPETGEVYM DATA SEQUENCE TDSWADIEKH YPGDSWSDTG NNVYGCIKQL YLLKKQNRNL KVLLSIGGWT DATA SEQUENCE YSPNFAPAAS TDAGRKNFAK TAVKLLQDLG FDGLDIDWEY PENDQQANDF DATA SEQUENCE VLLLKEVRTA LDSYSAANAG GQHFLLTVAS PAGPDKIKVL HLKDMDQQLD DATA SEQUENCE FWNLMAYDYA GSFSSLSGHQ ANVYNDTSNP LSTPFNTQTA LDLYRAGGVP DATA SEQUENCE ANKIVLGMPL YGRSFANTDG PGKPYNGVGQ GSWENGVWDY KALPQAGATE DATA SEQUENCE HVLPDIMASY SYDATNKFLI SYDNPQVANL KSGYIKSLGL GGAMWWDSSS DATA SEQUENCE DKTGSDSLIT TVVNALGGTG VFEQSQNELD YPVSQYDNLR NGMQ 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 39 A HA 0.000 nan 4.320 nan 0.000 0.244 39 A C 0.000 177.589 177.584 0.009 0.000 1.274 39 A CA 0.000 52.044 52.037 0.011 0.000 0.836 39 A CB 0.000 19.006 19.000 0.010 0.000 0.831 40 S N -0.095 115.614 115.700 0.014 0.000 2.558 40 S HA 0.741 5.212 4.470 0.001 0.000 0.277 40 S C -0.209 174.395 174.600 0.006 0.000 1.143 40 S CA 0.071 58.274 58.200 0.006 0.000 0.865 40 S CB 0.832 64.035 63.200 0.005 0.000 1.102 40 S HN 2.326 nan 8.310 nan 0.000 0.454 41 S N 1.343 117.034 115.700 -0.014 0.000 2.589 41 S HA 0.853 5.324 4.470 0.001 0.000 0.265 41 S C 0.713 175.279 174.600 -0.056 0.000 1.342 41 S CA 0.168 58.349 58.200 -0.032 0.000 1.005 41 S CB 0.423 63.593 63.200 -0.050 0.000 0.909 41 S HN 2.289 nan 8.310 nan 0.000 0.555 42 G N -0.148 108.595 108.800 -0.095 0.000 2.317 42 G HA2 0.382 4.343 3.960 0.001 0.000 0.293 42 G HA3 0.382 4.343 3.960 0.001 0.000 0.293 42 G C -1.915 172.888 174.900 -0.161 0.000 1.287 42 G CA -1.019 43.989 45.100 -0.155 0.000 0.850 42 G HN 0.608 nan 8.290 nan 0.000 0.515 43 Y N 0.840 121.192 120.300 0.088 0.000 2.336 43 Y HA 0.615 5.166 4.550 0.001 0.000 0.331 43 Y C 1.504 177.379 175.900 -0.043 0.000 1.211 43 Y CA -0.041 58.081 58.100 0.038 0.000 1.346 43 Y CB 0.791 39.321 38.460 0.116 0.000 1.271 43 Y HN 0.303 nan 8.280 nan 0.000 0.538 44 R N 0.545 121.044 120.500 -0.001 0.000 2.598 44 R HA 0.588 4.928 4.340 0.001 0.000 0.279 44 R C -0.707 175.468 176.300 -0.209 0.000 0.984 44 R CA -0.882 55.105 56.100 -0.189 0.000 0.999 44 R CB 1.610 31.647 30.300 -0.439 0.000 1.114 44 R HN 0.545 nan 8.270 nan 0.000 0.493 45 S N 1.674 117.221 115.700 -0.255 0.000 2.745 45 S HA 0.358 4.828 4.470 0.001 0.000 0.283 45 S C -1.016 173.635 174.600 0.085 0.000 1.170 45 S CA -0.634 57.517 58.200 -0.082 0.000 1.119 45 S CB 0.730 63.764 63.200 -0.277 0.000 1.035 45 S HN 0.300 nan 8.310 nan 0.000 0.483 46 V N 4.847 124.841 119.914 0.132 0.000 2.513 46 V HA 0.775 4.896 4.120 0.001 0.000 0.299 46 V C -0.228 176.048 176.094 0.302 0.000 1.035 46 V CA -0.698 61.705 62.300 0.172 0.000 0.889 46 V CB 1.635 33.499 31.823 0.069 0.000 0.988 46 V HN 0.597 nan 8.190 nan 0.000 0.440 47 V N 4.817 124.871 119.914 0.235 0.000 2.888 47 V HA 0.556 4.676 4.120 0.001 0.000 0.309 47 V C -1.549 174.602 176.094 0.096 0.000 1.114 47 V CA -0.568 61.895 62.300 0.272 0.000 0.940 47 V CB 2.269 34.252 31.823 0.267 0.000 1.021 47 V HN 0.755 nan 8.190 nan 0.000 0.426 48 Y N 5.334 125.662 120.300 0.047 0.000 2.335 48 Y HA 0.439 4.990 4.550 0.001 0.000 0.331 48 Y C -0.223 175.504 175.900 -0.290 0.000 1.094 48 Y CA 0.246 58.246 58.100 -0.167 0.000 1.253 48 Y CB 1.287 39.485 38.460 -0.438 0.000 1.203 48 Y HN 0.633 nan 8.280 nan 0.000 0.508 49 F N 5.235 125.064 119.950 -0.201 0.000 2.427 49 F HA 0.539 5.067 4.527 0.001 0.000 0.348 49 F C -0.748 174.740 175.800 -0.520 0.000 1.125 49 F CA -1.279 56.568 58.000 -0.254 0.000 0.989 49 F CB 0.555 39.519 39.000 -0.060 0.000 1.165 49 F HN 0.227 nan 8.300 nan 0.000 0.442 50 V N 4.288 123.395 119.914 -1.345 0.000 2.509 50 V HA 0.293 4.414 4.120 0.001 0.000 0.284 50 V C 0.800 176.108 176.094 -1.310 0.000 1.047 50 V CA -0.472 60.864 62.300 -1.607 0.000 0.952 50 V CB 1.232 31.526 31.823 -2.550 0.000 0.988 50 V HN 0.865 nan 8.190 nan 0.000 0.469 51 N N 4.153 122.368 118.700 -0.808 0.000 2.453 51 N HA -0.159 4.582 4.740 0.001 0.000 0.183 51 N C 1.132 176.595 175.510 -0.079 0.000 1.041 51 N CA 1.773 54.675 53.050 -0.246 0.000 0.900 51 N CB -0.685 37.744 38.487 -0.097 0.000 0.961 51 N HN 0.989 nan 8.380 nan 0.000 0.443 52 W N -1.233 119.993 121.300 -0.124 0.000 3.180 52 W HA 0.600 5.260 4.660 0.001 0.000 0.254 52 W C 1.569 178.005 176.519 -0.138 0.000 1.318 52 W CA -0.186 57.179 57.345 0.033 0.000 1.608 52 W CB -0.353 29.173 29.460 0.111 0.000 1.124 52 W HN 0.106 nan 8.180 nan 0.000 0.694 53 A N 2.224 124.701 122.820 -0.571 0.000 2.121 53 A HA -0.099 4.222 4.320 0.001 0.000 0.218 53 A C 1.908 179.333 177.584 -0.266 0.000 1.154 53 A CA 1.417 53.128 52.037 -0.543 0.000 0.679 53 A CB -1.018 17.501 19.000 -0.802 0.000 0.795 53 A HN 0.689 nan 8.150 nan 0.000 0.458 54 I N -4.550 115.876 120.570 -0.239 0.000 3.176 54 I HA -0.021 4.150 4.170 0.001 0.000 0.275 54 I C 1.562 177.556 176.117 -0.205 0.000 1.298 54 I CA 0.554 61.747 61.300 -0.179 0.000 1.445 54 I CB -0.323 37.552 38.000 -0.208 0.000 1.075 54 I HN 0.216 nan 8.210 nan 0.000 0.482 55 Y N 1.948 122.277 120.300 0.047 0.000 3.098 55 Y HA 0.414 4.964 4.550 0.001 0.000 0.204 55 Y C 2.621 178.511 175.900 -0.017 0.000 0.896 55 Y CA 0.862 58.996 58.100 0.057 0.000 1.051 55 Y CB -1.313 37.198 38.460 0.084 0.000 1.077 55 Y HN -0.098 nan 8.280 nan 0.000 0.463 56 G N -0.021 108.855 108.800 0.126 0.000 2.442 56 G HA2 -0.234 3.727 3.960 0.001 0.000 0.219 56 G HA3 -0.234 3.727 3.960 0.001 0.000 0.219 56 G C 1.538 176.302 174.900 -0.226 0.000 1.141 56 G CA 0.909 46.024 45.100 0.026 0.000 0.763 56 G HN 0.314 nan 8.290 nan 0.000 0.554 57 R N -0.191 119.946 120.500 -0.605 0.000 2.235 57 R HA 0.040 4.381 4.340 0.001 0.000 0.213 57 R C 1.044 177.289 176.300 -0.091 0.000 1.059 57 R CA 0.414 56.193 56.100 -0.534 0.000 0.997 57 R CB -0.372 29.517 30.300 -0.685 0.000 0.884 57 R HN 0.503 nan 8.270 nan 0.000 0.462 58 N N 0.798 119.486 118.700 -0.021 0.000 2.705 58 N HA -0.262 4.479 4.740 0.001 0.000 0.255 58 N C -1.276 174.298 175.510 0.106 0.000 1.008 58 N CA 0.187 53.277 53.050 0.065 0.000 0.742 58 N CB -0.754 37.793 38.487 0.101 0.000 0.906 58 N HN 0.370 nan 8.380 nan 0.000 0.541 59 H N 0.743 119.783 119.070 -0.049 0.000 2.609 59 H HA 0.506 5.063 4.556 0.001 0.000 0.344 59 H C -0.907 174.484 175.328 0.104 0.000 1.040 59 H CA -0.558 55.480 56.048 -0.017 0.000 1.216 59 H CB 0.751 30.436 29.762 -0.128 0.000 1.529 59 H HN 0.201 nan 8.280 nan 0.000 0.519 60 N N 4.801 123.368 118.700 -0.222 0.000 2.402 60 N HA 0.186 4.926 4.740 0.001 0.000 0.294 60 N C -2.069 173.206 175.510 -0.390 0.000 1.203 60 N CA -2.004 50.963 53.050 -0.138 0.000 0.838 60 N CB 1.723 40.087 38.487 -0.206 0.000 1.306 60 N HN 0.418 nan 8.380 nan 0.000 0.510 61 P HA -0.125 nan 4.420 nan 0.000 0.216 61 P C 0.781 177.795 177.300 -0.477 0.000 1.150 61 P CA 1.623 64.238 63.100 -0.808 0.000 0.843 61 P CB 0.342 31.528 31.700 -0.856 0.000 0.787 62 Q N -0.715 118.819 119.800 -0.443 0.000 2.368 62 Q HA -0.155 4.186 4.340 0.001 0.000 0.210 62 Q C 1.329 177.197 176.000 -0.220 0.000 0.982 62 Q CA 1.244 56.860 55.803 -0.313 0.000 0.884 62 Q CB -0.795 27.758 28.738 -0.309 0.000 0.933 62 Q HN 0.365 nan 8.270 nan 0.000 0.460 63 D N -0.483 119.773 120.400 -0.240 0.000 2.349 63 D HA 0.030 4.671 4.640 0.001 0.000 0.215 63 D C 0.041 176.315 176.300 -0.043 0.000 1.016 63 D CA 0.147 54.069 54.000 -0.130 0.000 0.870 63 D CB 0.199 40.921 40.800 -0.131 0.000 0.917 63 D HN 0.265 nan 8.370 nan 0.000 0.524 64 L N 2.760 123.935 121.223 -0.080 0.000 2.485 64 L HA 0.080 4.421 4.340 0.001 0.000 0.275 64 L C -1.630 175.236 176.870 -0.007 0.000 1.207 64 L CA -1.088 53.754 54.840 0.003 0.000 0.855 64 L CB 0.180 42.220 42.059 -0.032 0.000 1.114 64 L HN -0.186 nan 8.230 nan 0.000 0.485 65 P HA 0.013 nan 4.420 nan 0.000 0.230 65 P C 1.015 178.328 177.300 0.022 0.000 1.791 65 P CA -0.215 62.891 63.100 0.010 0.000 1.020 65 P CB 0.177 31.877 31.700 0.000 0.000 1.977 66 V N -0.192 119.723 119.914 0.002 0.000 2.453 66 V HA -0.234 3.887 4.120 0.001 0.000 0.252 66 V C 1.910 178.033 176.094 0.049 0.000 1.068 66 V CA 1.642 63.946 62.300 0.006 0.000 1.070 66 V CB -1.218 30.585 31.823 -0.033 0.000 0.664 66 V HN 0.138 nan 8.190 nan 0.000 0.461 67 E N 0.757 120.990 120.200 0.055 0.000 2.338 67 E HA -0.035 4.316 4.350 0.001 0.000 0.197 67 E C 2.064 178.780 176.600 0.193 0.000 1.007 67 E CA 0.814 57.268 56.400 0.090 0.000 0.849 67 E CB -0.224 29.504 29.700 0.046 0.000 0.774 67 E HN 0.697 nan 8.360 nan 0.000 0.506 68 R N -0.101 120.521 120.500 0.203 0.000 2.507 68 R HA 0.326 4.666 4.340 0.001 0.000 0.298 68 R C 0.084 176.595 176.300 0.351 0.000 0.999 68 R CA -0.042 56.266 56.100 0.347 0.000 1.082 68 R CB 0.543 30.954 30.300 0.185 0.000 1.246 68 R HN -0.015 nan 8.270 nan 0.000 0.553 69 L N -1.181 120.161 121.223 0.199 0.000 2.333 69 L HA 0.405 4.745 4.340 0.001 0.000 0.263 69 L C 1.073 177.881 176.870 -0.104 0.000 1.014 69 L CA -0.525 54.322 54.840 0.011 0.000 0.820 69 L CB 2.336 44.428 42.059 0.056 0.000 1.352 69 L HN -0.014 nan 8.230 nan 0.000 0.421 70 T N -4.274 110.175 114.554 -0.175 0.000 2.964 70 T HA 0.271 4.622 4.350 0.001 0.000 0.249 70 T C 0.154 174.706 174.700 -0.247 0.000 1.000 70 T CA 0.115 62.103 62.100 -0.187 0.000 0.992 70 T CB 0.111 68.879 68.868 -0.167 0.000 1.087 70 T HN 0.539 nan 8.240 nan 0.000 0.489 71 H N -0.254 118.808 119.070 -0.014 0.000 2.894 71 H HA 0.746 5.303 4.556 0.001 0.000 0.367 71 H C -1.492 173.866 175.328 0.050 0.000 1.144 71 H CA -0.699 55.382 56.048 0.056 0.000 1.180 71 H CB 2.229 32.073 29.762 0.138 0.000 1.758 71 H HN 0.050 nan 8.280 nan 0.000 0.541 72 V N 3.970 123.975 119.914 0.153 0.000 2.495 72 V HA 0.316 4.437 4.120 0.001 0.000 0.298 72 V C -0.479 175.661 176.094 0.076 0.000 1.031 72 V CA -0.726 61.634 62.300 0.100 0.000 0.871 72 V CB 1.643 33.506 31.823 0.066 0.000 0.988 72 V HN 0.534 nan 8.190 nan 0.000 0.432 73 L N 5.053 126.258 121.223 -0.030 0.000 2.276 73 L HA 0.451 4.791 4.340 0.001 0.000 0.286 73 L C -0.949 175.921 176.870 0.000 0.000 1.024 73 L CA -0.629 54.136 54.840 -0.126 0.000 0.826 73 L CB 0.935 42.653 42.059 -0.568 0.000 1.211 73 L HN 0.615 nan 8.230 nan 0.000 0.422 74 Y N 3.669 123.929 120.300 -0.067 0.000 2.452 74 Y HA 0.519 5.070 4.550 0.001 0.000 0.348 74 Y C 0.189 176.046 175.900 -0.073 0.000 0.985 74 Y CA -0.741 57.350 58.100 -0.015 0.000 1.214 74 Y CB 0.900 39.391 38.460 0.053 0.000 1.136 74 Y HN 0.604 nan 8.280 nan 0.000 0.523 75 A N 6.452 128.933 122.820 -0.565 0.000 2.317 75 A HA 0.764 5.085 4.320 0.001 0.000 0.327 75 A C -1.643 175.614 177.584 -0.546 0.000 1.178 75 A CA -0.329 51.239 52.037 -0.782 0.000 0.817 75 A CB 0.322 18.413 19.000 -1.515 0.000 1.189 75 A HN 0.642 nan 8.150 nan 0.000 0.489 76 F N 0.207 120.216 119.950 0.098 0.000 2.613 76 F HA 0.693 5.221 4.527 0.001 0.000 0.314 76 F C 0.484 176.357 175.800 0.121 0.000 1.075 76 F CA -0.376 57.731 58.000 0.178 0.000 0.945 76 F CB 2.234 41.449 39.000 0.358 0.000 1.310 76 F HN 0.749 nan 8.300 nan 0.000 0.467 77 A N 1.685 124.668 122.820 0.272 0.000 2.306 77 A HA 0.670 4.990 4.320 0.001 0.000 0.330 77 A C -0.706 176.730 177.584 -0.246 0.000 1.146 77 A CA -0.493 51.521 52.037 -0.038 0.000 0.827 77 A CB 0.982 19.936 19.000 -0.078 0.000 1.178 77 A HN 0.692 nan 8.150 nan 0.000 0.490 78 N N -0.527 117.708 118.700 -0.775 0.000 2.502 78 N HA 0.573 5.314 4.740 0.001 0.000 0.280 78 N C -1.429 173.614 175.510 -0.778 0.000 1.223 78 N CA -0.405 51.973 53.050 -1.119 0.000 0.966 78 N CB 1.757 39.187 38.487 -1.762 0.000 1.203 78 N HN 0.623 nan 8.380 nan 0.000 0.565 79 V N 1.251 120.816 119.914 -0.581 0.000 2.577 79 V HA 0.492 4.613 4.120 0.001 0.000 0.303 79 V C -0.710 175.290 176.094 -0.157 0.000 1.042 79 V CA -0.808 61.299 62.300 -0.321 0.000 0.872 79 V CB 1.196 32.805 31.823 -0.356 0.000 0.998 79 V HN 0.648 nan 8.190 nan 0.000 0.423 80 R N 8.018 128.530 120.500 0.020 0.000 2.370 80 R HA 0.268 4.609 4.340 0.001 0.000 0.309 80 R C -1.511 174.757 176.300 -0.052 0.000 1.059 80 R CA -1.166 54.936 56.100 0.003 0.000 0.981 80 R CB 1.169 31.459 30.300 -0.017 0.000 0.972 80 R HN 0.633 nan 8.270 nan 0.000 0.437 81 P HA -0.215 nan 4.420 nan 0.000 0.217 81 P C 0.494 177.768 177.300 -0.042 0.000 1.150 81 P CA 1.411 64.465 63.100 -0.077 0.000 0.832 81 P CB 0.285 31.940 31.700 -0.075 0.000 0.787 82 E N 0.094 120.274 120.200 -0.034 0.000 2.299 82 E HA -0.052 4.298 4.350 0.001 0.000 0.193 82 E C 1.456 178.048 176.600 -0.013 0.000 0.998 82 E CA 1.636 58.023 56.400 -0.022 0.000 0.851 82 E CB -1.106 28.579 29.700 -0.025 0.000 0.795 82 E HN 0.363 nan 8.360 nan 0.000 0.492 83 T N -4.371 110.175 114.554 -0.014 0.000 2.954 83 T HA 0.412 4.763 4.350 0.001 0.000 0.252 83 T C 1.521 176.238 174.700 0.027 0.000 0.983 83 T CA 0.679 62.778 62.100 -0.001 0.000 0.941 83 T CB 0.537 69.394 68.868 -0.019 0.000 1.141 83 T HN 0.303 nan 8.240 nan 0.000 0.500 84 G N 1.700 110.521 108.800 0.036 0.000 2.176 84 G HA2 -0.266 3.695 3.960 0.001 0.000 0.253 84 G HA3 -0.266 3.695 3.960 0.001 0.000 0.253 84 G C -0.148 174.800 174.900 0.081 0.000 0.979 84 G CA 0.277 45.444 45.100 0.112 0.000 0.641 84 G HN 0.919 nan 8.290 nan 0.000 0.530 85 E N 0.637 120.845 120.200 0.013 0.000 2.417 85 E HA 0.362 4.713 4.350 0.001 0.000 0.261 85 E C 0.165 176.745 176.600 -0.034 0.000 1.000 85 E CA -0.305 56.081 56.400 -0.022 0.000 0.919 85 E CB 0.600 30.278 29.700 -0.036 0.000 0.955 85 E HN 0.152 nan 8.360 nan 0.000 0.455 86 V N 6.492 126.304 119.914 -0.170 0.000 2.439 86 V HA 0.300 4.421 4.120 0.001 0.000 0.282 86 V C -0.680 175.404 176.094 -0.017 0.000 1.039 86 V CA -0.327 61.814 62.300 -0.265 0.000 0.913 86 V CB 0.313 31.784 31.823 -0.587 0.000 0.983 86 V HN 0.597 nan 8.190 nan 0.000 0.460 87 Y N 3.236 123.420 120.300 -0.193 0.000 2.571 87 Y HA 0.771 5.322 4.550 0.001 0.000 0.341 87 Y C -0.717 175.150 175.900 -0.056 0.000 1.076 87 Y CA -2.037 56.001 58.100 -0.104 0.000 1.029 87 Y CB 1.119 39.522 38.460 -0.095 0.000 1.308 87 Y HN 0.367 nan 8.280 nan 0.000 0.461 88 M N 2.076 121.734 119.600 0.098 0.000 2.240 88 M HA 0.199 4.680 4.480 0.001 0.000 0.333 88 M C 0.893 177.246 176.300 0.088 0.000 1.110 88 M CA 0.579 55.937 55.300 0.097 0.000 1.173 88 M CB 0.715 33.429 32.600 0.191 0.000 1.458 88 M HN 0.997 nan 8.290 nan 0.000 0.458 89 T N -3.501 111.111 114.554 0.097 0.000 3.044 89 T HA 0.173 4.524 4.350 0.001 0.000 0.260 89 T C -0.031 174.798 174.700 0.215 0.000 1.019 89 T CA -0.172 62.000 62.100 0.120 0.000 0.921 89 T CB 0.233 69.171 68.868 0.117 0.000 1.053 89 T HN 0.575 nan 8.240 nan 0.000 0.533 90 D N 0.426 120.976 120.400 0.250 0.000 2.323 90 D HA 0.368 5.008 4.640 0.001 0.000 0.242 90 D C 0.604 177.078 176.300 0.290 0.000 1.347 90 D CA -0.310 53.868 54.000 0.296 0.000 0.988 90 D CB 1.611 42.629 40.800 0.363 0.000 1.314 90 D HN -0.025 nan 8.370 nan 0.000 0.564 91 S N 2.488 118.349 115.700 0.269 0.000 2.383 91 S HA -0.132 4.339 4.470 0.001 0.000 0.229 91 S C 1.614 176.385 174.600 0.285 0.000 1.030 91 S CA 0.668 59.016 58.200 0.246 0.000 1.002 91 S CB -0.134 63.199 63.200 0.222 0.000 0.829 91 S HN 0.730 nan 8.310 nan 0.000 0.467 92 W N 2.172 123.566 121.300 0.157 0.000 2.353 92 W HA -0.170 4.490 4.660 0.001 0.000 0.319 92 W C 2.443 179.041 176.519 0.132 0.000 1.207 92 W CA 1.352 58.784 57.345 0.145 0.000 1.291 92 W CB -0.588 28.978 29.460 0.177 0.000 1.159 92 W HN 0.342 nan 8.180 nan 0.000 0.478 93 A N 0.776 123.680 122.820 0.141 0.000 1.898 93 A HA -0.211 4.110 4.320 0.001 0.000 0.216 93 A C 1.667 179.291 177.584 0.068 0.000 1.181 93 A CA 2.027 54.056 52.037 -0.014 0.000 0.620 93 A CB -1.011 18.067 19.000 0.131 0.000 0.819 93 A HN 0.295 nan 8.150 nan 0.000 0.442 94 D N -0.141 120.362 120.400 0.171 0.000 2.077 94 D HA -0.085 4.556 4.640 0.001 0.000 0.196 94 D C 1.752 178.061 176.300 0.015 0.000 0.986 94 D CA 2.036 56.143 54.000 0.178 0.000 0.829 94 D CB -0.202 40.737 40.800 0.231 0.000 0.983 94 D HN 0.709 nan 8.370 nan 0.000 0.453 95 I N -3.426 117.147 120.570 0.006 0.000 4.557 95 I HA 0.288 4.458 4.170 0.001 0.000 0.333 95 I C 1.033 177.171 176.117 0.035 0.000 1.332 95 I CA -0.113 61.152 61.300 -0.058 0.000 1.240 95 I CB 0.492 38.413 38.000 -0.131 0.000 1.312 95 I HN -0.254 nan 8.210 nan 0.000 0.457 96 E N 1.964 122.184 120.200 0.034 0.000 2.290 96 E HA 0.136 4.487 4.350 0.001 0.000 0.197 96 E C 0.573 177.072 176.600 -0.167 0.000 0.948 96 E CA -0.248 56.212 56.400 0.100 0.000 0.895 96 E CB 0.447 30.295 29.700 0.246 0.000 0.865 96 E HN 0.281 nan 8.360 nan 0.000 0.486 97 K N 1.622 121.574 120.400 -0.746 0.000 2.524 97 K HA -0.072 4.249 4.320 0.001 0.000 0.279 97 K C -0.795 175.462 176.600 -0.571 0.000 0.993 97 K CA 0.258 55.754 56.287 -1.319 0.000 1.030 97 K CB 0.315 31.889 32.500 -1.544 0.000 0.891 97 K HN -0.053 nan 8.250 nan 0.000 0.488 98 H N 2.436 121.109 119.070 -0.662 0.000 2.489 98 H HA 0.263 4.819 4.556 0.001 0.000 0.322 98 H C -1.144 173.868 175.328 -0.527 0.000 1.091 98 H CA -0.102 55.640 56.048 -0.511 0.000 1.291 98 H CB 0.382 29.870 29.762 -0.457 0.000 1.436 98 H HN 0.404 nan 8.280 nan 0.000 0.480 99 Y N 3.092 123.221 120.300 -0.285 0.000 2.549 99 Y HA 0.321 4.872 4.550 0.001 0.000 0.339 99 Y C -1.888 173.861 175.900 -0.252 0.000 1.053 99 Y CA -2.722 55.248 58.100 -0.216 0.000 1.105 99 Y CB 1.040 39.383 38.460 -0.194 0.000 1.258 99 Y HN 0.617 nan 8.280 nan 0.000 0.478 100 P HA 0.115 nan 4.420 nan 0.000 0.261 100 P C 0.441 177.682 177.300 -0.098 0.000 1.183 100 P CA 1.846 64.909 63.100 -0.062 0.000 0.761 100 P CB 0.314 32.000 31.700 -0.024 0.000 0.785 101 G N 1.908 110.621 108.800 -0.145 0.000 2.179 101 G HA2 -0.157 3.803 3.960 0.001 0.000 0.220 101 G HA3 -0.157 3.803 3.960 0.001 0.000 0.220 101 G C -0.289 174.492 174.900 -0.197 0.000 0.990 101 G CA -0.461 44.556 45.100 -0.137 0.000 0.646 101 G HN 0.500 nan 8.290 nan 0.000 0.517 102 D N 1.335 121.507 120.400 -0.380 0.000 2.249 102 D HA 0.596 5.237 4.640 0.001 0.000 0.246 102 D C 0.373 176.230 176.300 -0.739 0.000 1.114 102 D CA 0.683 54.308 54.000 -0.625 0.000 0.854 102 D CB 1.579 41.632 40.800 -1.246 0.000 1.132 102 D HN 0.537 nan 8.370 nan 0.000 0.461 103 S N 0.752 116.199 115.700 -0.421 0.000 2.536 103 S HA 0.305 4.776 4.470 0.001 0.000 0.287 103 S C 0.270 174.850 174.600 -0.033 0.000 1.101 103 S CA -1.024 57.012 58.200 -0.273 0.000 0.950 103 S CB 0.866 64.009 63.200 -0.096 0.000 1.056 103 S HN 0.617 nan 8.310 nan 0.000 0.481 104 W N 1.428 122.764 121.300 0.060 0.000 2.825 104 W HA -0.016 4.645 4.660 0.001 0.000 0.243 104 W C 2.371 178.932 176.519 0.070 0.000 1.293 104 W CA 0.225 57.607 57.345 0.062 0.000 1.403 104 W CB 0.003 29.478 29.460 0.024 0.000 1.134 104 W HN 0.935 nan 8.180 nan 0.000 0.666 105 S N -0.730 115.124 115.700 0.255 0.000 2.469 105 S HA -0.127 4.344 4.470 0.001 0.000 0.238 105 S C 0.409 175.107 174.600 0.162 0.000 0.998 105 S CA 0.590 58.891 58.200 0.167 0.000 0.957 105 S CB -0.433 62.827 63.200 0.100 0.000 0.764 105 S HN 0.001 nan 8.310 nan 0.000 0.514 106 D N 3.495 124.023 120.400 0.214 0.000 2.417 106 D HA 0.215 4.856 4.640 0.001 0.000 0.250 106 D C 0.710 177.117 176.300 0.178 0.000 1.166 106 D CA 0.538 54.652 54.000 0.190 0.000 0.881 106 D CB 1.218 42.171 40.800 0.255 0.000 1.164 106 D HN 0.555 nan 8.370 nan 0.000 0.467 107 T N -0.836 113.786 114.554 0.113 0.000 2.847 107 T HA 0.601 4.952 4.350 0.001 0.000 0.279 107 T C 0.913 175.660 174.700 0.079 0.000 0.984 107 T CA -0.046 62.107 62.100 0.088 0.000 0.988 107 T CB 1.550 70.452 68.868 0.058 0.000 1.040 107 T HN 0.597 nan 8.240 nan 0.000 0.528 108 G N 1.464 110.300 108.800 0.059 0.000 2.553 108 G HA2 -0.202 3.759 3.960 0.001 0.000 0.242 108 G HA3 -0.202 3.759 3.960 0.001 0.000 0.242 108 G C -0.400 174.542 174.900 0.069 0.000 1.277 108 G CA -0.030 45.097 45.100 0.046 0.000 0.910 108 G HN 1.135 nan 8.290 nan 0.000 0.576 109 N N 1.747 120.486 118.700 0.064 0.000 2.437 109 N HA 0.452 5.193 4.740 0.001 0.000 0.259 109 N C -0.607 175.024 175.510 0.201 0.000 0.983 109 N CA -0.479 52.639 53.050 0.113 0.000 0.937 109 N CB 0.270 38.775 38.487 0.031 0.000 1.122 109 N HN 0.582 nan 8.380 nan 0.000 0.499 110 N N 1.503 120.330 118.700 0.212 0.000 2.292 110 N HA 0.342 5.082 4.740 0.001 0.000 0.303 110 N C -1.441 173.891 175.510 -0.297 0.000 1.140 110 N CA -0.539 52.511 53.050 -0.001 0.000 0.788 110 N CB 2.632 41.081 38.487 -0.063 0.000 1.361 110 N HN 0.219 nan 8.380 nan 0.000 0.489 111 V N 2.369 121.847 119.914 -0.728 0.000 2.435 111 V HA 0.495 4.616 4.120 0.001 0.000 0.290 111 V C -1.166 174.374 176.094 -0.923 0.000 1.030 111 V CA -0.075 61.690 62.300 -0.892 0.000 0.881 111 V CB 0.378 31.471 31.823 -1.216 0.000 0.983 111 V HN 0.629 nan 8.190 nan 0.000 0.445 112 Y N 4.378 124.569 120.300 -0.181 0.000 3.326 112 Y HA 0.819 5.369 4.550 0.001 0.000 0.306 112 Y C 1.395 177.212 175.900 -0.139 0.000 1.652 112 Y CA 0.303 58.328 58.100 -0.125 0.000 0.810 112 Y CB -0.177 38.269 38.460 -0.025 0.000 1.269 112 Y HN 0.932 nan 8.280 nan 0.000 0.744 113 G N 0.167 109.029 108.800 0.103 0.000 2.598 113 G HA2 -0.297 3.663 3.960 0.001 0.000 0.269 113 G HA3 -0.297 3.663 3.960 0.001 0.000 0.269 113 G C 0.836 175.779 174.900 0.071 0.000 1.289 113 G CA -0.040 45.067 45.100 0.013 0.000 0.926 113 G HN 0.806 nan 8.290 nan 0.000 0.567 114 C N 0.025 119.331 119.300 0.010 0.000 2.435 114 C HA 0.003 4.463 4.460 0.001 0.000 0.279 114 C C 3.004 177.782 174.990 -0.354 0.000 1.321 114 C CA 1.088 60.011 59.018 -0.158 0.000 1.752 114 C CB -1.401 26.325 27.740 -0.022 0.000 1.959 114 C HN 0.514 nan 8.230 nan 0.000 0.500 115 I N 1.716 122.076 120.570 -0.350 0.000 2.163 115 I HA -0.200 3.971 4.170 0.001 0.000 0.243 115 I C 2.558 178.447 176.117 -0.380 0.000 1.085 115 I CA 1.755 62.784 61.300 -0.452 0.000 1.347 115 I CB -1.324 36.413 38.000 -0.440 0.000 1.044 115 I HN 0.465 nan 8.210 nan 0.000 0.408 116 K N 0.525 120.738 120.400 -0.313 0.000 2.057 116 K HA -0.203 4.117 4.320 0.001 0.000 0.207 116 K C 2.083 178.560 176.600 -0.204 0.000 1.049 116 K CA 1.227 57.358 56.287 -0.260 0.000 0.931 116 K CB 0.040 32.398 32.500 -0.237 0.000 0.714 116 K HN 0.224 nan 8.250 nan 0.000 0.440 117 Q N 0.750 120.393 119.800 -0.262 0.000 2.124 117 Q HA -0.137 4.204 4.340 0.001 0.000 0.202 117 Q C 2.252 178.060 176.000 -0.320 0.000 0.977 117 Q CA 1.276 56.881 55.803 -0.329 0.000 0.850 117 Q CB -0.224 28.206 28.738 -0.514 0.000 0.901 117 Q HN 0.410 nan 8.270 nan 0.000 0.429 118 L N -0.867 120.147 121.223 -0.350 0.000 2.093 118 L HA -0.178 4.163 4.340 0.001 0.000 0.208 118 L C 2.363 179.094 176.870 -0.232 0.000 1.085 118 L CA 1.089 55.735 54.840 -0.323 0.000 0.755 118 L CB -0.528 41.310 42.059 -0.368 0.000 0.904 118 L HN 0.156 nan 8.230 nan 0.000 0.435 119 Y N 0.591 120.702 120.300 -0.315 0.000 2.181 119 Y HA -0.241 4.310 4.550 0.001 0.000 0.288 119 Y C 2.323 178.113 175.900 -0.184 0.000 1.146 119 Y CA 1.453 59.401 58.100 -0.254 0.000 1.164 119 Y CB -0.086 38.202 38.460 -0.287 0.000 0.982 119 Y HN 0.007 nan 8.280 nan 0.000 0.515 120 L N -0.501 120.673 121.223 -0.081 0.000 2.083 120 L HA -0.269 4.072 4.340 0.001 0.000 0.209 120 L C 2.361 179.115 176.870 -0.192 0.000 1.083 120 L CA 1.201 55.970 54.840 -0.118 0.000 0.752 120 L CB -0.618 41.379 42.059 -0.104 0.000 0.899 120 L HN 0.316 nan 8.230 nan 0.000 0.433 121 L N -0.485 120.612 121.223 -0.210 0.000 2.093 121 L HA -0.214 4.127 4.340 0.001 0.000 0.208 121 L C 2.575 179.328 176.870 -0.195 0.000 1.085 121 L CA 1.315 56.041 54.840 -0.189 0.000 0.755 121 L CB -0.492 41.451 42.059 -0.192 0.000 0.904 121 L HN 0.223 nan 8.230 nan 0.000 0.435 122 K N 0.233 120.476 120.400 -0.263 0.000 2.147 122 K HA -0.171 4.149 4.320 0.001 0.000 0.205 122 K C 2.115 178.549 176.600 -0.277 0.000 1.049 122 K CA 1.199 57.324 56.287 -0.271 0.000 0.936 122 K CB -0.004 32.283 32.500 -0.356 0.000 0.722 122 K HN 0.271 nan 8.250 nan 0.000 0.446 123 K N 0.601 120.798 120.400 -0.337 0.000 2.103 123 K HA -0.134 4.187 4.320 0.001 0.000 0.204 123 K C 2.023 178.542 176.600 -0.135 0.000 1.052 123 K CA 1.181 57.328 56.287 -0.234 0.000 0.945 123 K CB 0.093 32.474 32.500 -0.198 0.000 0.722 123 K HN 0.121 nan 8.250 nan 0.000 0.443 124 Q N 0.128 119.852 119.800 -0.127 0.000 2.389 124 Q HA 0.049 4.390 4.340 0.001 0.000 0.204 124 Q C -0.340 175.617 176.000 -0.071 0.000 0.944 124 Q CA 0.592 56.343 55.803 -0.088 0.000 0.908 124 Q CB 0.456 29.142 28.738 -0.087 0.000 1.002 124 Q HN 0.201 nan 8.270 nan 0.000 0.493 125 N N 0.278 118.929 118.700 -0.082 0.000 2.640 125 N HA 0.163 4.904 4.740 0.001 0.000 0.262 125 N C -0.370 175.104 175.510 -0.060 0.000 1.174 125 N CA -0.260 52.758 53.050 -0.054 0.000 0.791 125 N CB 1.131 39.590 38.487 -0.046 0.000 1.279 125 N HN -0.041 nan 8.380 nan 0.000 0.535 126 R N 0.571 121.043 120.500 -0.047 0.000 2.293 126 R HA -0.055 4.285 4.340 0.001 0.000 0.219 126 R C 0.998 177.279 176.300 -0.031 0.000 1.091 126 R CA 0.692 56.766 56.100 -0.044 0.000 1.004 126 R CB -0.466 29.815 30.300 -0.031 0.000 0.865 126 R HN 0.477 nan 8.270 nan 0.000 0.469 127 N N 0.168 118.856 118.700 -0.021 0.000 2.270 127 N HA -0.007 4.733 4.740 0.001 0.000 0.198 127 N C -0.706 174.767 175.510 -0.061 0.000 1.117 127 N CA -0.053 52.987 53.050 -0.018 0.000 0.845 127 N CB 0.258 38.763 38.487 0.031 0.000 0.980 127 N HN -0.034 nan 8.380 nan 0.000 0.486 128 L N 1.063 122.245 121.223 -0.068 0.000 2.257 128 L HA 0.461 4.802 4.340 0.001 0.000 0.290 128 L C -0.832 175.978 176.870 -0.100 0.000 1.044 128 L CA -0.442 54.342 54.840 -0.095 0.000 0.810 128 L CB 0.665 42.682 42.059 -0.069 0.000 1.193 128 L HN -0.166 nan 8.230 nan 0.000 0.425 129 K N 3.278 123.584 120.400 -0.156 0.000 2.138 129 K HA 0.684 5.005 4.320 0.001 0.000 0.263 129 K C -1.205 175.412 176.600 0.028 0.000 0.965 129 K CA -0.395 55.854 56.287 -0.062 0.000 0.868 129 K CB 2.000 34.433 32.500 -0.112 0.000 1.083 129 K HN 0.372 nan 8.250 nan 0.000 0.443 130 V N 4.524 124.503 119.914 0.108 0.000 2.407 130 V HA 0.416 4.537 4.120 0.001 0.000 0.291 130 V C -0.962 175.286 176.094 0.256 0.000 1.018 130 V CA -0.932 61.465 62.300 0.162 0.000 0.842 130 V CB 1.014 32.915 31.823 0.131 0.000 0.996 130 V HN 0.468 nan 8.190 nan 0.000 0.426 131 L N 4.952 126.266 121.223 0.153 0.000 2.330 131 L HA 0.614 4.955 4.340 0.001 0.000 0.271 131 L C -0.422 176.308 176.870 -0.235 0.000 1.013 131 L CA -0.569 54.279 54.840 0.014 0.000 0.816 131 L CB 1.614 43.691 42.059 0.029 0.000 1.287 131 L HN 0.551 nan 8.230 nan 0.000 0.435 132 L N 1.128 121.997 121.223 -0.590 0.000 2.276 132 L HA 0.503 4.844 4.340 0.001 0.000 0.286 132 L C -0.119 176.647 176.870 -0.174 0.000 1.061 132 L CA 0.535 54.967 54.840 -0.681 0.000 0.807 132 L CB 1.049 42.448 42.059 -1.101 0.000 1.177 132 L HN 0.580 nan 8.230 nan 0.000 0.429 133 S N 6.272 121.981 115.700 0.015 0.000 2.457 133 S HA 0.597 5.068 4.470 0.001 0.000 0.289 133 S C -0.197 174.646 174.600 0.404 0.000 1.163 133 S CA -0.328 58.026 58.200 0.256 0.000 1.078 133 S CB 0.391 63.821 63.200 0.382 0.000 0.987 133 S HN 0.512 nan 8.310 nan 0.000 0.482 134 I N 3.176 123.977 120.570 0.386 0.000 2.378 134 I HA 0.656 4.827 4.170 0.001 0.000 0.291 134 I C 0.878 177.260 176.117 0.442 0.000 0.992 134 I CA -0.055 61.449 61.300 0.340 0.000 1.154 134 I CB 1.229 39.398 38.000 0.281 0.000 1.315 134 I HN 0.875 nan 8.210 nan 0.000 0.448 135 G N 4.156 113.091 108.800 0.225 0.000 2.659 135 G HA2 0.348 4.309 3.960 0.001 0.000 0.214 135 G HA3 0.348 4.309 3.960 0.001 0.000 0.214 135 G C -0.010 174.546 174.900 -0.573 0.000 1.191 135 G CA 0.018 45.196 45.100 0.130 0.000 1.141 135 G HN 1.579 nan 8.290 nan 0.000 0.581 136 G N -2.909 105.547 108.800 -0.573 0.000 2.603 136 G HA2 0.165 4.126 3.960 0.001 0.000 0.686 136 G HA3 0.165 4.126 3.960 0.001 0.000 0.686 136 G C 0.556 175.248 174.900 -0.346 0.000 1.286 136 G CA 0.512 44.991 45.100 -1.035 0.000 0.871 136 G HN 1.554 nan 8.290 nan 0.000 0.568 137 W N -0.058 120.998 121.300 -0.408 0.000 2.333 137 W HA -0.056 4.604 4.660 0.001 0.000 0.316 137 W C 2.862 179.199 176.519 -0.303 0.000 1.215 137 W CA 2.353 59.515 57.345 -0.304 0.000 1.278 137 W CB -1.709 27.599 29.460 -0.253 0.000 1.154 137 W HN 0.667 nan 8.180 nan 0.000 0.486 138 T N -0.357 114.092 114.554 -0.174 0.000 2.746 138 T HA -0.209 4.142 4.350 0.001 0.000 0.267 138 T C 1.453 176.010 174.700 -0.239 0.000 1.039 138 T CA 1.675 63.598 62.100 -0.295 0.000 1.142 138 T CB -0.530 68.006 68.868 -0.553 0.000 0.866 138 T HN 0.007 nan 8.240 nan 0.000 0.444 139 Y N 1.029 121.221 120.300 -0.180 0.000 2.511 139 Y HA 0.314 4.865 4.550 0.001 0.000 0.279 139 Y C 2.646 178.392 175.900 -0.257 0.000 1.157 139 Y CA -0.930 57.028 58.100 -0.237 0.000 1.300 139 Y CB -0.801 37.468 38.460 -0.318 0.000 1.052 139 Y HN 0.098 nan 8.280 nan 0.000 0.529 140 S N 0.829 116.527 115.700 -0.003 0.000 2.420 140 S HA -0.137 4.334 4.470 0.001 0.000 0.237 140 S C -0.593 174.001 174.600 -0.010 0.000 1.023 140 S CA 1.357 59.614 58.200 0.096 0.000 0.991 140 S CB -1.007 62.275 63.200 0.138 0.000 0.792 140 S HN 0.360 nan 8.310 nan 0.000 0.488 141 P HA 0.021 nan 4.420 nan 0.000 0.228 141 P C 0.692 177.922 177.300 -0.117 0.000 1.151 141 P CA 0.768 63.846 63.100 -0.037 0.000 0.770 141 P CB -0.074 31.615 31.700 -0.019 0.000 0.786 142 N N -1.841 116.722 118.700 -0.228 0.000 2.463 142 N HA 0.033 4.774 4.740 0.001 0.000 0.181 142 N C 1.180 176.427 175.510 -0.438 0.000 1.078 142 N CA 0.548 53.418 53.050 -0.300 0.000 0.902 142 N CB -0.570 37.720 38.487 -0.328 0.000 0.970 142 N HN 0.174 nan 8.380 nan 0.000 0.451 143 F N 1.777 121.364 119.950 -0.604 0.000 2.084 143 F HA -0.023 4.505 4.527 0.001 0.000 0.296 143 F C 2.429 177.699 175.800 -0.883 0.000 1.111 143 F CA 0.918 58.276 58.000 -1.069 0.000 1.224 143 F CB -0.802 36.729 39.000 -2.449 0.000 0.991 143 F HN -0.008 nan 8.300 nan 0.000 0.471 144 A N 0.877 123.473 122.820 -0.372 0.000 1.884 144 A HA -0.208 4.113 4.320 0.001 0.000 0.219 144 A C 0.006 177.584 177.584 -0.010 0.000 1.197 144 A CA 2.284 54.329 52.037 0.013 0.000 0.637 144 A CB -2.255 16.845 19.000 0.167 0.000 0.827 144 A HN 0.283 nan 8.150 nan 0.000 0.450 145 P HA -0.075 nan 4.420 nan 0.000 0.216 145 P C 1.612 178.892 177.300 -0.032 0.000 1.153 145 P CA 1.850 64.936 63.100 -0.024 0.000 0.844 145 P CB -0.223 31.458 31.700 -0.032 0.000 0.787 146 A N 0.764 123.538 122.820 -0.076 0.000 1.940 146 A HA -0.040 4.280 4.320 0.001 0.000 0.219 146 A C 2.344 179.926 177.584 -0.004 0.000 1.176 146 A CA 2.153 54.168 52.037 -0.037 0.000 0.631 146 A CB -1.431 17.537 19.000 -0.053 0.000 0.814 146 A HN 0.270 nan 8.150 nan 0.000 0.446 147 A N -0.138 122.663 122.820 -0.032 0.000 2.275 147 A HA 0.271 4.592 4.320 0.001 0.000 0.212 147 A C 2.053 179.677 177.584 0.067 0.000 1.201 147 A CA 1.085 53.134 52.037 0.019 0.000 0.843 147 A CB -0.584 18.444 19.000 0.047 0.000 0.873 147 A HN 0.834 nan 8.150 nan 0.000 0.492 148 S N -0.097 115.637 115.700 0.057 0.000 2.481 148 S HA -0.016 4.455 4.470 0.001 0.000 0.231 148 S C 1.024 175.657 174.600 0.056 0.000 0.996 148 S CA 1.022 59.262 58.200 0.066 0.000 0.942 148 S CB -0.772 62.461 63.200 0.055 0.000 0.768 148 S HN 0.773 nan 8.310 nan 0.000 0.520 149 T N -1.779 112.803 114.554 0.048 0.000 2.908 149 T HA 0.493 4.844 4.350 0.001 0.000 0.290 149 T C 0.211 174.941 174.700 0.049 0.000 1.034 149 T CA -0.350 61.777 62.100 0.045 0.000 1.010 149 T CB 1.799 70.689 68.868 0.037 0.000 1.068 149 T HN -0.018 nan 8.240 nan 0.000 0.481 150 D N 1.396 121.824 120.400 0.047 0.000 2.144 150 D HA -0.043 4.597 4.640 0.001 0.000 0.199 150 D C 2.185 178.517 176.300 0.053 0.000 0.984 150 D CA 1.690 55.720 54.000 0.050 0.000 0.834 150 D CB -0.316 40.511 40.800 0.045 0.000 0.955 150 D HN 0.722 nan 8.370 nan 0.000 0.465 151 A N 0.004 122.852 122.820 0.047 0.000 1.898 151 A HA 0.068 4.389 4.320 0.001 0.000 0.216 151 A C 2.363 179.982 177.584 0.060 0.000 1.181 151 A CA 1.811 53.877 52.037 0.048 0.000 0.620 151 A CB -1.306 17.715 19.000 0.037 0.000 0.819 151 A HN 0.363 nan 8.150 nan 0.000 0.442 152 G N -0.336 108.499 108.800 0.058 0.000 2.433 152 G HA2 -0.237 3.723 3.960 0.001 0.000 0.216 152 G HA3 -0.237 3.723 3.960 0.001 0.000 0.216 152 G C 1.762 176.730 174.900 0.113 0.000 1.186 152 G CA 0.907 46.051 45.100 0.074 0.000 0.779 152 G HN 0.567 nan 8.290 nan 0.000 0.543 153 R N 0.317 120.870 120.500 0.088 0.000 2.081 153 R HA -0.021 4.319 4.340 0.001 0.000 0.235 153 R C 2.629 179.012 176.300 0.138 0.000 1.131 153 R CA 1.422 57.574 56.100 0.087 0.000 0.960 153 R CB -0.246 30.086 30.300 0.053 0.000 0.856 153 R HN 0.287 nan 8.270 nan 0.000 0.436 154 K N 0.253 120.721 120.400 0.112 0.000 2.097 154 K HA -0.095 4.225 4.320 0.001 0.000 0.205 154 K C 1.865 178.542 176.600 0.129 0.000 1.050 154 K CA 1.051 57.406 56.287 0.113 0.000 0.938 154 K CB -0.145 32.404 32.500 0.081 0.000 0.718 154 K HN 0.243 nan 8.250 nan 0.000 0.442 155 N N 0.055 118.830 118.700 0.125 0.000 2.270 155 N HA -0.143 4.598 4.740 0.001 0.000 0.181 155 N C 1.755 177.352 175.510 0.144 0.000 1.016 155 N CA 0.524 53.637 53.050 0.105 0.000 0.870 155 N CB 0.040 38.571 38.487 0.074 0.000 0.979 155 N HN 0.055 nan 8.380 nan 0.000 0.431 156 F N 2.025 121.994 119.950 0.031 0.000 2.102 156 F HA -0.064 4.463 4.527 0.001 0.000 0.298 156 F C 2.331 178.158 175.800 0.044 0.000 1.105 156 F CA 1.560 59.581 58.000 0.035 0.000 1.239 156 F CB -0.681 38.350 39.000 0.051 0.000 0.991 156 F HN 0.036 nan 8.300 nan 0.000 0.474 157 A N 0.252 123.339 122.820 0.445 0.000 1.902 157 A HA -0.228 4.093 4.320 0.001 0.000 0.217 157 A C 2.354 180.020 177.584 0.136 0.000 1.181 157 A CA 1.895 54.113 52.037 0.301 0.000 0.623 157 A CB -0.898 18.235 19.000 0.222 0.000 0.818 157 A HN 0.483 nan 8.150 nan 0.000 0.443 158 K N -0.400 120.063 120.400 0.106 0.000 2.026 158 K HA -0.166 4.154 4.320 0.001 0.000 0.208 158 K C 2.199 178.805 176.600 0.010 0.000 1.048 158 K CA 2.119 58.440 56.287 0.056 0.000 0.929 158 K CB -0.396 32.137 32.500 0.055 0.000 0.713 158 K HN 0.628 nan 8.250 nan 0.000 0.439 159 T N -1.298 113.248 114.554 -0.012 0.000 2.821 159 T HA -0.023 4.328 4.350 0.001 0.000 0.267 159 T C 2.060 176.707 174.700 -0.090 0.000 1.046 159 T CA 1.015 63.084 62.100 -0.053 0.000 1.139 159 T CB -0.377 68.450 68.868 -0.068 0.000 0.871 159 T HN 0.260 nan 8.240 nan 0.000 0.454 160 A N 1.089 123.825 122.820 -0.141 0.000 1.898 160 A HA 0.110 4.431 4.320 0.001 0.000 0.216 160 A C 2.599 180.130 177.584 -0.088 0.000 1.181 160 A CA 1.404 53.349 52.037 -0.153 0.000 0.620 160 A CB -1.013 17.866 19.000 -0.203 0.000 0.819 160 A HN 0.409 nan 8.150 nan 0.000 0.442 161 V N 0.191 120.061 119.914 -0.074 0.000 2.515 161 V HA -0.193 3.928 4.120 0.001 0.000 0.250 161 V C 2.518 178.489 176.094 -0.206 0.000 1.058 161 V CA 2.264 64.475 62.300 -0.148 0.000 1.064 161 V CB -0.540 31.227 31.823 -0.092 0.000 0.675 161 V HN 0.627 nan 8.190 nan 0.000 0.461 162 K N 0.725 121.059 120.400 -0.111 0.000 2.057 162 K HA -0.101 4.220 4.320 0.001 0.000 0.207 162 K C 1.877 178.432 176.600 -0.074 0.000 1.049 162 K CA 1.634 57.867 56.287 -0.089 0.000 0.931 162 K CB -0.510 31.964 32.500 -0.042 0.000 0.714 162 K HN 0.408 nan 8.250 nan 0.000 0.440 163 L N 0.335 121.538 121.223 -0.032 0.000 2.046 163 L HA -0.123 4.217 4.340 0.001 0.000 0.208 163 L C 2.452 179.364 176.870 0.070 0.000 1.077 163 L CA 1.104 55.975 54.840 0.051 0.000 0.747 163 L CB -0.474 41.644 42.059 0.099 0.000 0.896 163 L HN 0.251 nan 8.230 nan 0.000 0.432 164 L N 0.142 121.374 121.223 0.015 0.000 2.046 164 L HA -0.266 4.075 4.340 0.001 0.000 0.208 164 L C 2.823 179.576 176.870 -0.195 0.000 1.077 164 L CA 1.644 56.477 54.840 -0.011 0.000 0.747 164 L CB -0.291 41.659 42.059 -0.181 0.000 0.896 164 L HN 0.403 nan 8.230 nan 0.000 0.432 165 Q N -1.374 118.251 119.800 -0.291 0.000 2.224 165 Q HA -0.199 4.142 4.340 0.001 0.000 0.203 165 Q C 1.209 177.204 176.000 -0.008 0.000 0.970 165 Q CA 1.678 57.388 55.803 -0.154 0.000 0.865 165 Q CB -0.205 28.374 28.738 -0.265 0.000 0.922 165 Q HN 0.481 nan 8.270 nan 0.000 0.445 166 D N 0.993 121.345 120.400 -0.079 0.000 2.201 166 D HA 0.050 4.691 4.640 0.001 0.000 0.209 166 D C 1.818 178.054 176.300 -0.107 0.000 0.961 166 D CA 0.806 54.785 54.000 -0.034 0.000 0.861 166 D CB 0.176 40.988 40.800 0.021 0.000 0.997 166 D HN 0.280 nan 8.370 nan 0.000 0.486 167 L N -0.434 120.614 121.223 -0.292 0.000 2.592 167 L HA 0.276 4.617 4.340 0.001 0.000 0.227 167 L C 1.083 177.353 176.870 -1.001 0.000 1.127 167 L CA 0.265 54.743 54.840 -0.604 0.000 0.884 167 L CB 0.044 41.731 42.059 -0.619 0.000 1.065 167 L HN 0.066 nan 8.230 nan 0.000 0.457 168 G N 0.219 108.351 108.800 -1.113 0.000 2.171 168 G HA2 -0.269 3.691 3.960 0.001 0.000 0.238 168 G HA3 -0.269 3.691 3.960 0.001 0.000 0.238 168 G C -0.103 174.285 174.900 -0.853 0.000 1.039 168 G CA -0.447 43.753 45.100 -1.501 0.000 0.759 168 G HN 0.104 nan 8.290 nan 0.000 0.501 169 F N 0.187 119.939 119.950 -0.330 0.000 2.370 169 F HA 0.442 4.970 4.527 0.001 0.000 0.324 169 F C 1.340 177.191 175.800 0.084 0.000 1.116 169 F CA -0.956 56.988 58.000 -0.094 0.000 1.123 169 F CB 0.776 39.715 39.000 -0.101 0.000 1.238 169 F HN 0.008 nan 8.300 nan 0.000 0.536 170 D N 0.557 121.183 120.400 0.378 0.000 2.349 170 D HA 0.280 4.921 4.640 0.001 0.000 0.214 170 D C 0.805 177.348 176.300 0.405 0.000 1.063 170 D CA 0.529 54.800 54.000 0.450 0.000 0.847 170 D CB 0.709 41.708 40.800 0.331 0.000 0.933 170 D HN 0.683 nan 8.370 nan 0.000 0.513 171 G N 0.050 108.985 108.800 0.224 0.000 2.317 171 G HA2 0.384 4.345 3.960 0.001 0.000 0.293 171 G HA3 0.384 4.345 3.960 0.001 0.000 0.293 171 G C -2.035 172.876 174.900 0.019 0.000 1.287 171 G CA -0.863 44.314 45.100 0.127 0.000 0.850 171 G HN 0.033 nan 8.290 nan 0.000 0.515 172 L N 0.231 121.454 121.223 0.001 0.000 2.401 172 L HA 0.633 4.974 4.340 0.001 0.000 0.266 172 L C -1.392 175.475 176.870 -0.006 0.000 0.991 172 L CA -0.819 54.011 54.840 -0.018 0.000 0.818 172 L CB 2.471 44.550 42.059 0.035 0.000 1.321 172 L HN 0.658 nan 8.230 nan 0.000 0.413 173 D N 2.500 122.914 120.400 0.023 0.000 2.408 173 D HA 0.538 5.179 4.640 0.001 0.000 0.243 173 D C -1.148 175.265 176.300 0.187 0.000 1.075 173 D CA -0.310 53.720 54.000 0.050 0.000 0.832 173 D CB 1.355 42.177 40.800 0.036 0.000 1.162 173 D HN 0.103 nan 8.370 nan 0.000 0.515 174 I N 3.459 124.152 120.570 0.205 0.000 2.330 174 I HA 0.274 4.444 4.170 0.001 0.000 0.289 174 I C -0.581 175.703 176.117 0.277 0.000 1.001 174 I CA -1.101 60.388 61.300 0.314 0.000 1.193 174 I CB 1.263 39.473 38.000 0.350 0.000 1.345 174 I HN 0.313 nan 8.210 nan 0.000 0.461 175 D N 6.583 127.165 120.400 0.304 0.000 2.477 175 D HA 0.122 4.763 4.640 0.001 0.000 0.239 175 D C -0.867 175.482 176.300 0.082 0.000 1.102 175 D CA -0.077 54.069 54.000 0.243 0.000 0.901 175 D CB 0.698 41.706 40.800 0.346 0.000 1.026 175 D HN 0.351 nan 8.370 nan 0.000 0.515 176 W N 2.650 123.691 121.300 -0.432 0.000 2.278 176 W HA 0.372 5.033 4.660 0.001 0.000 0.317 176 W C -0.819 175.457 176.519 -0.405 0.000 1.030 176 W CA -1.153 55.738 57.345 -0.757 0.000 1.334 176 W CB 0.528 29.037 29.460 -1.586 0.000 1.215 176 W HN 0.103 nan 8.180 nan 0.000 0.405 177 E N 5.862 126.053 120.200 -0.015 0.000 2.173 177 E HA 0.348 4.698 4.350 0.001 0.000 0.249 177 E C -1.440 174.937 176.600 -0.372 0.000 0.923 177 E CA -0.079 55.825 56.400 -0.827 0.000 0.754 177 E CB 0.774 29.891 29.700 -0.972 0.000 1.177 177 E HN 0.240 nan 8.360 nan 0.000 0.430 178 Y N 0.502 120.915 120.300 0.189 0.000 2.609 178 Y HA 0.400 4.951 4.550 0.001 0.000 0.336 178 Y C -2.376 173.332 175.900 -0.321 0.000 1.129 178 Y CA -2.948 55.096 58.100 -0.093 0.000 1.040 178 Y CB 1.293 39.699 38.460 -0.091 0.000 1.310 178 Y HN 0.240 nan 8.280 nan 0.000 0.460 179 P HA 0.107 nan 4.420 nan 0.000 0.264 179 P C -0.158 177.036 177.300 -0.176 0.000 1.193 179 P CA 0.416 63.096 63.100 -0.700 0.000 0.763 179 P CB 0.707 31.892 31.700 -0.858 0.000 0.810 180 E N 1.621 121.805 120.200 -0.027 0.000 2.415 180 E HA 0.002 4.353 4.350 0.001 0.000 0.197 180 E C 0.340 176.940 176.600 -0.000 0.000 1.007 180 E CA 0.314 56.726 56.400 0.020 0.000 0.890 180 E CB 0.114 29.861 29.700 0.079 0.000 0.891 180 E HN 0.578 nan 8.360 nan 0.000 0.496 181 N N -1.784 116.906 118.700 -0.017 0.000 3.039 181 N HA 0.023 4.764 4.740 0.001 0.000 0.257 181 N C -0.141 175.353 175.510 -0.027 0.000 1.497 181 N CA -0.589 52.458 53.050 -0.006 0.000 0.861 181 N CB 0.380 38.880 38.487 0.022 0.000 1.479 181 N HN -0.275 nan 8.380 nan 0.000 0.547 182 D N -0.974 119.433 120.400 0.011 0.000 2.123 182 D HA -0.209 4.432 4.640 0.001 0.000 0.196 182 D C 1.489 177.786 176.300 -0.005 0.000 0.992 182 D CA 1.678 55.700 54.000 0.037 0.000 0.833 182 D CB 0.215 41.076 40.800 0.102 0.000 0.954 182 D HN 0.574 nan 8.370 nan 0.000 0.455 183 Q N 0.325 120.138 119.800 0.022 0.000 2.061 183 Q HA -0.176 4.164 4.340 0.001 0.000 0.204 183 Q C 2.124 178.140 176.000 0.025 0.000 0.984 183 Q CA 1.736 57.560 55.803 0.036 0.000 0.846 183 Q CB -0.295 28.475 28.738 0.054 0.000 0.902 183 Q HN 0.432 nan 8.270 nan 0.000 0.421 184 Q N -0.860 118.952 119.800 0.021 0.000 2.124 184 Q HA -0.111 4.230 4.340 0.001 0.000 0.202 184 Q C 2.016 177.927 176.000 -0.149 0.000 0.977 184 Q CA 1.304 57.129 55.803 0.036 0.000 0.850 184 Q CB -0.260 28.509 28.738 0.051 0.000 0.901 184 Q HN 0.517 nan 8.270 nan 0.000 0.429 185 A N 1.410 124.078 122.820 -0.253 0.000 1.902 185 A HA -0.215 4.105 4.320 0.001 0.000 0.217 185 A C 1.799 179.141 177.584 -0.403 0.000 1.181 185 A CA 1.516 53.304 52.037 -0.415 0.000 0.623 185 A CB -0.472 18.147 19.000 -0.635 0.000 0.818 185 A HN 0.301 nan 8.150 nan 0.000 0.443 186 N N 0.410 118.930 118.700 -0.300 0.000 2.142 186 N HA -0.129 4.612 4.740 0.001 0.000 0.186 186 N C 1.076 176.603 175.510 0.029 0.000 1.023 186 N CA 1.557 54.562 53.050 -0.075 0.000 0.852 186 N CB -0.449 38.069 38.487 0.052 0.000 0.998 186 N HN 0.415 nan 8.380 nan 0.000 0.424 187 D N 0.362 120.805 120.400 0.072 0.000 2.178 187 D HA -0.122 4.518 4.640 0.001 0.000 0.201 187 D C 1.672 178.120 176.300 0.246 0.000 0.980 187 D CA 0.372 54.464 54.000 0.154 0.000 0.842 187 D CB -0.343 40.578 40.800 0.202 0.000 0.948 187 D HN 0.136 nan 8.370 nan 0.000 0.472 188 F N 1.488 121.450 119.950 0.020 0.000 2.134 188 F HA -0.147 4.381 4.527 0.001 0.000 0.299 188 F C 2.172 177.944 175.800 -0.047 0.000 1.097 188 F CA 0.505 58.512 58.000 0.011 0.000 1.264 188 F CB -0.672 38.165 39.000 -0.273 0.000 1.001 188 F HN -0.205 nan 8.300 nan 0.000 0.479 189 V N 0.757 120.690 119.914 0.030 0.000 2.295 189 V HA -0.312 3.809 4.120 0.001 0.000 0.246 189 V C 2.664 178.761 176.094 0.006 0.000 1.049 189 V CA 1.858 64.122 62.300 -0.061 0.000 1.024 189 V CB -0.791 31.026 31.823 -0.009 0.000 0.648 189 V HN 0.295 nan 8.190 nan 0.000 0.447 190 L N -0.765 120.492 121.223 0.056 0.000 2.083 190 L HA -0.198 4.143 4.340 0.001 0.000 0.209 190 L C 2.465 179.367 176.870 0.053 0.000 1.083 190 L CA 1.274 56.148 54.840 0.057 0.000 0.752 190 L CB -0.644 41.456 42.059 0.068 0.000 0.899 190 L HN 0.358 nan 8.230 nan 0.000 0.433 191 L N -0.072 121.197 121.223 0.076 0.000 2.017 191 L HA -0.197 4.144 4.340 0.001 0.000 0.208 191 L C 2.329 179.205 176.870 0.010 0.000 1.073 191 L CA 1.718 56.571 54.840 0.022 0.000 0.745 191 L CB -0.425 41.642 42.059 0.014 0.000 0.894 191 L HN 0.089 nan 8.230 nan 0.000 0.432 192 L N -0.563 120.666 121.223 0.011 0.000 2.046 192 L HA -0.245 4.095 4.340 0.001 0.000 0.208 192 L C 2.694 179.561 176.870 -0.005 0.000 1.077 192 L CA 1.616 56.434 54.840 -0.038 0.000 0.747 192 L CB -0.639 41.313 42.059 -0.178 0.000 0.896 192 L HN 0.314 nan 8.230 nan 0.000 0.432 193 K N -0.050 120.352 120.400 0.003 0.000 2.063 193 K HA -0.247 4.073 4.320 0.001 0.000 0.208 193 K C 2.098 178.728 176.600 0.051 0.000 1.048 193 K CA 1.540 57.842 56.287 0.026 0.000 0.928 193 K CB 0.072 32.590 32.500 0.029 0.000 0.713 193 K HN 0.060 nan 8.250 nan 0.000 0.442 194 E N 0.212 120.446 120.200 0.057 0.000 2.077 194 E HA -0.138 4.213 4.350 0.001 0.000 0.193 194 E C 1.771 178.433 176.600 0.104 0.000 0.989 194 E CA 1.059 57.506 56.400 0.079 0.000 0.800 194 E CB -0.057 29.691 29.700 0.079 0.000 0.746 194 E HN 0.068 nan 8.360 nan 0.000 0.452 195 V N 0.395 120.376 119.914 0.111 0.000 2.427 195 V HA -0.202 3.919 4.120 0.001 0.000 0.248 195 V C 2.399 178.563 176.094 0.117 0.000 1.051 195 V CA 1.815 64.203 62.300 0.146 0.000 1.048 195 V CB -0.471 31.459 31.823 0.180 0.000 0.666 195 V HN 0.151 nan 8.190 nan 0.000 0.456 196 R N 0.791 121.344 120.500 0.089 0.000 2.081 196 R HA -0.141 4.199 4.340 0.001 0.000 0.235 196 R C 2.279 178.646 176.300 0.111 0.000 1.131 196 R CA 2.432 58.587 56.100 0.091 0.000 0.960 196 R CB -1.209 29.132 30.300 0.068 0.000 0.856 196 R HN 0.511 nan 8.270 nan 0.000 0.436 197 T N 0.237 114.851 114.554 0.100 0.000 2.746 197 T HA -0.090 4.260 4.350 0.001 0.000 0.267 197 T C 1.792 176.564 174.700 0.121 0.000 1.039 197 T CA 1.485 63.646 62.100 0.102 0.000 1.142 197 T CB -0.513 68.406 68.868 0.085 0.000 0.866 197 T HN 0.427 nan 8.240 nan 0.000 0.444 198 A N 1.097 123.993 122.820 0.126 0.000 1.933 198 A HA 0.044 4.364 4.320 0.001 0.000 0.218 198 A C 2.308 180.002 177.584 0.184 0.000 1.175 198 A CA 1.112 53.234 52.037 0.141 0.000 0.628 198 A CB -0.822 18.255 19.000 0.127 0.000 0.814 198 A HN 0.462 nan 8.150 nan 0.000 0.444 199 L N -0.495 120.837 121.223 0.183 0.000 2.046 199 L HA -0.186 4.155 4.340 0.001 0.000 0.208 199 L C 2.076 179.150 176.870 0.341 0.000 1.077 199 L CA 1.427 56.420 54.840 0.256 0.000 0.747 199 L CB -0.565 41.623 42.059 0.216 0.000 0.896 199 L HN 0.327 nan 8.230 nan 0.000 0.432 200 D N -0.587 119.953 120.400 0.234 0.000 2.117 200 D HA -0.128 4.513 4.640 0.001 0.000 0.198 200 D C 2.384 178.785 176.300 0.169 0.000 0.982 200 D CA 1.322 55.439 54.000 0.195 0.000 0.828 200 D CB -0.065 40.822 40.800 0.146 0.000 0.967 200 D HN 0.155 nan 8.370 nan 0.000 0.464 201 S N 0.200 115.996 115.700 0.161 0.000 2.353 201 S HA -0.209 4.261 4.470 0.001 0.000 0.222 201 S C 1.903 176.584 174.600 0.135 0.000 1.035 201 S CA 0.924 59.200 58.200 0.127 0.000 1.025 201 S CB -0.573 62.701 63.200 0.123 0.000 0.902 201 S HN 0.365 nan 8.310 nan 0.000 0.440 202 Y N 2.133 122.502 120.300 0.115 0.000 2.165 202 Y HA -0.175 4.376 4.550 0.001 0.000 0.286 202 Y C 2.739 178.744 175.900 0.175 0.000 1.155 202 Y CA 1.582 59.754 58.100 0.120 0.000 1.164 202 Y CB -0.790 37.730 38.460 0.099 0.000 0.978 202 Y HN 0.254 nan 8.280 nan 0.000 0.513 203 S N 0.002 115.788 115.700 0.143 0.000 2.368 203 S HA -0.201 4.270 4.470 0.001 0.000 0.225 203 S C 2.293 176.846 174.600 -0.078 0.000 1.030 203 S CA 1.332 59.585 58.200 0.089 0.000 0.999 203 S CB -0.908 62.400 63.200 0.180 0.000 0.844 203 S HN 0.665 nan 8.310 nan 0.000 0.459 204 A N 1.119 123.921 122.820 -0.030 0.000 1.940 204 A HA 0.138 4.459 4.320 0.001 0.000 0.219 204 A C 2.406 179.942 177.584 -0.079 0.000 1.176 204 A CA 1.984 53.998 52.037 -0.038 0.000 0.631 204 A CB -1.232 17.768 19.000 -0.001 0.000 0.814 204 A HN 0.753 nan 8.150 nan 0.000 0.446 205 A N -0.648 122.100 122.820 -0.120 0.000 1.874 205 A HA -0.021 4.300 4.320 0.001 0.000 0.214 205 A C 1.520 178.988 177.584 -0.194 0.000 1.189 205 A CA 1.318 53.275 52.037 -0.134 0.000 0.615 205 A CB -0.157 18.780 19.000 -0.106 0.000 0.830 205 A HN 0.555 nan 8.150 nan 0.000 0.443 206 N N -1.568 116.910 118.700 -0.369 0.000 2.240 206 N HA 0.337 5.078 4.740 0.001 0.000 0.240 206 N C 0.199 175.546 175.510 -0.271 0.000 1.277 206 N CA 0.808 53.663 53.050 -0.325 0.000 0.873 206 N CB 1.355 39.622 38.487 -0.365 0.000 1.222 206 N HN 0.398 nan 8.380 nan 0.000 0.507 207 A N -0.194 122.496 122.820 -0.217 0.000 2.635 207 A HA 0.517 4.838 4.320 0.001 0.000 0.279 207 A C 1.243 178.756 177.584 -0.120 0.000 1.122 207 A CA 0.259 52.229 52.037 -0.112 0.000 0.965 207 A CB 0.008 19.026 19.000 0.030 0.000 1.221 207 A HN 0.128 nan 8.150 nan 0.000 0.566 208 G N -0.570 108.168 108.800 -0.104 0.000 2.283 208 G HA2 0.099 4.060 3.960 0.001 0.000 0.280 208 G HA3 0.099 4.060 3.960 0.001 0.000 0.280 208 G C 1.605 176.456 174.900 -0.081 0.000 1.029 208 G CA 1.185 46.236 45.100 -0.081 0.000 0.840 208 G HN 2.195 nan 8.290 nan 0.000 0.505 209 G N -1.668 107.080 108.800 -0.088 0.000 2.176 209 G HA2 -0.132 3.828 3.960 0.001 0.000 0.253 209 G HA3 -0.132 3.828 3.960 0.001 0.000 0.253 209 G C 0.467 175.294 174.900 -0.121 0.000 0.979 209 G CA 1.109 46.166 45.100 -0.073 0.000 0.641 209 G HN 1.931 nan 8.290 nan 0.000 0.530 210 Q N 0.540 120.207 119.800 -0.221 0.000 2.368 210 Q HA 0.200 4.541 4.340 0.001 0.000 0.331 210 Q C 0.280 176.002 176.000 -0.463 0.000 1.086 210 Q CA 0.510 56.094 55.803 -0.365 0.000 1.031 210 Q CB 0.066 28.466 28.738 -0.563 0.000 1.125 210 Q HN 0.654 nan 8.270 nan 0.000 0.389 211 H N 4.774 123.636 119.070 -0.348 0.000 2.846 211 H HA 0.273 4.830 4.556 0.001 0.000 0.278 211 H C -1.116 174.089 175.328 -0.206 0.000 1.117 211 H CA -0.426 55.493 56.048 -0.214 0.000 1.406 211 H CB -0.227 29.496 29.762 -0.066 0.000 1.445 211 H HN 0.454 nan 8.280 nan 0.000 0.469 212 F N 4.488 124.279 119.950 -0.264 0.000 2.389 212 F HA 0.201 4.729 4.527 0.001 0.000 0.337 212 F C 0.232 175.798 175.800 -0.390 0.000 1.112 212 F CA -0.567 57.325 58.000 -0.179 0.000 1.192 212 F CB 0.540 39.539 39.000 -0.001 0.000 1.185 212 F HN 0.389 nan 8.300 nan 0.000 0.552 213 L N 3.183 124.440 121.223 0.056 0.000 2.399 213 L HA 0.498 4.839 4.340 0.001 0.000 0.266 213 L C -0.810 176.046 176.870 -0.023 0.000 1.114 213 L CA -0.870 53.967 54.840 -0.005 0.000 0.804 213 L CB 1.223 43.350 42.059 0.114 0.000 1.146 213 L HN 0.408 nan 8.230 nan 0.000 0.451 214 L N 2.251 123.425 121.223 -0.083 0.000 2.441 214 L HA 0.607 4.948 4.340 0.001 0.000 0.270 214 L C -0.289 176.431 176.870 -0.251 0.000 0.973 214 L CA 0.167 54.944 54.840 -0.105 0.000 0.842 214 L CB 1.765 43.793 42.059 -0.051 0.000 1.239 214 L HN 0.767 nan 8.230 nan 0.000 0.406 215 T N 1.850 116.220 114.554 -0.307 0.000 2.864 215 T HA 0.917 5.268 4.350 0.001 0.000 0.289 215 T C -0.531 174.010 174.700 -0.266 0.000 1.082 215 T CA -0.217 61.605 62.100 -0.463 0.000 1.009 215 T CB 1.721 70.116 68.868 -0.789 0.000 1.234 215 T HN 1.043 nan 8.240 nan 0.000 0.526 216 V N -2.178 117.581 119.914 -0.258 0.000 3.049 216 V HA 0.966 5.087 4.120 0.001 0.000 0.309 216 V C -0.195 175.956 176.094 0.094 0.000 1.148 216 V CA -1.332 60.933 62.300 -0.057 0.000 0.990 216 V CB 1.177 32.915 31.823 -0.143 0.000 1.039 216 V HN 1.506 nan 8.190 nan 0.000 0.430 217 A N 2.196 125.153 122.820 0.229 0.000 2.331 217 A HA 0.831 5.152 4.320 0.001 0.000 0.283 217 A C 0.304 178.077 177.584 0.315 0.000 1.142 217 A CA -0.226 51.994 52.037 0.305 0.000 0.812 217 A CB 0.360 19.581 19.000 0.367 0.000 1.074 217 A HN 1.259 nan 8.150 nan 0.000 0.497 218 S N 3.566 119.459 115.700 0.322 0.000 2.513 218 S HA 0.695 5.166 4.470 0.001 0.000 0.299 218 S C -2.801 172.007 174.600 0.346 0.000 1.087 218 S CA -1.164 57.277 58.200 0.402 0.000 1.012 218 S CB 1.707 65.152 63.200 0.408 0.000 1.044 218 S HN 0.694 nan 8.310 nan 0.000 0.485 219 P HA 0.305 nan 4.420 nan 0.000 0.274 219 P C -0.242 177.177 177.300 0.198 0.000 1.231 219 P CA -0.398 62.841 63.100 0.231 0.000 0.790 219 P CB 1.076 32.763 31.700 -0.022 0.000 0.951 220 A N 2.444 125.319 122.820 0.092 0.000 2.252 220 A HA 0.322 4.643 4.320 0.001 0.000 0.213 220 A C 1.302 178.862 177.584 -0.039 0.000 1.188 220 A CA 0.374 52.473 52.037 0.103 0.000 0.863 220 A CB -0.613 18.511 19.000 0.206 0.000 0.893 220 A HN 0.623 nan 8.150 nan 0.000 0.495 221 G N 0.744 109.447 108.800 -0.163 0.000 2.358 221 G HA2 0.414 4.375 3.960 0.001 0.000 0.273 221 G HA3 0.414 4.375 3.960 0.001 0.000 0.273 221 G C -1.513 173.346 174.900 -0.069 0.000 1.215 221 G CA -0.808 44.202 45.100 -0.151 0.000 0.910 221 G HN 0.050 nan 8.290 nan 0.000 0.467 222 P HA -0.176 nan 4.420 nan 0.000 0.215 222 P C 1.608 178.865 177.300 -0.071 0.000 1.157 222 P CA 1.660 64.736 63.100 -0.040 0.000 0.874 222 P CB 0.240 31.935 31.700 -0.009 0.000 0.790 223 D N -0.356 120.016 120.400 -0.047 0.000 2.149 223 D HA -0.198 4.443 4.640 0.001 0.000 0.198 223 D C 1.567 177.796 176.300 -0.118 0.000 0.990 223 D CA 1.659 55.619 54.000 -0.067 0.000 0.839 223 D CB -0.905 39.869 40.800 -0.042 0.000 0.948 223 D HN 0.073 nan 8.370 nan 0.000 0.460 224 K N 0.240 120.525 120.400 -0.192 0.000 2.062 224 K HA 0.167 4.487 4.320 0.001 0.000 0.205 224 K C 2.311 178.808 176.600 -0.173 0.000 1.051 224 K CA 0.555 56.682 56.287 -0.267 0.000 0.941 224 K CB -0.433 31.725 32.500 -0.570 0.000 0.719 224 K HN 0.243 nan 8.250 nan 0.000 0.440 225 I N 1.165 121.632 120.570 -0.172 0.000 2.208 225 I HA -0.327 3.844 4.170 0.001 0.000 0.245 225 I C 1.778 177.797 176.117 -0.165 0.000 1.097 225 I CA 1.190 62.367 61.300 -0.206 0.000 1.363 225 I CB -0.253 37.537 38.000 -0.349 0.000 1.051 225 I HN 0.094 nan 8.210 nan 0.000 0.413 226 K N 0.501 120.823 120.400 -0.131 0.000 2.152 226 K HA -0.122 4.199 4.320 0.001 0.000 0.206 226 K C 2.062 178.638 176.600 -0.040 0.000 1.048 226 K CA 1.126 57.362 56.287 -0.086 0.000 0.933 226 K CB -0.594 31.865 32.500 -0.069 0.000 0.721 226 K HN 0.282 nan 8.250 nan 0.000 0.447 227 V N 1.711 121.598 119.914 -0.045 0.000 2.548 227 V HA -0.099 4.022 4.120 0.001 0.000 0.249 227 V C 1.545 177.644 176.094 0.009 0.000 1.055 227 V CA 0.666 62.952 62.300 -0.022 0.000 1.065 227 V CB -0.376 31.408 31.823 -0.064 0.000 0.681 227 V HN 0.152 nan 8.190 nan 0.000 0.462 228 L N 0.217 121.444 121.223 0.007 0.000 2.467 228 L HA 0.132 4.473 4.340 0.001 0.000 0.270 228 L C 0.324 177.317 176.870 0.206 0.000 1.205 228 L CA 0.239 55.111 54.840 0.053 0.000 0.828 228 L CB -0.146 41.980 42.059 0.111 0.000 1.101 228 L HN 0.316 nan 8.230 nan 0.000 0.479 229 H N 3.431 122.514 119.070 0.022 0.000 2.702 229 H HA 0.179 4.736 4.556 0.001 0.000 0.252 229 H C 0.795 176.170 175.328 0.078 0.000 1.493 229 H CA -0.591 55.471 56.048 0.023 0.000 1.273 229 H CB 0.689 30.456 29.762 0.008 0.000 1.537 229 H HN 0.580 nan 8.280 nan 0.000 0.547 230 L N 1.222 122.568 121.223 0.205 0.000 1.990 230 L HA -0.266 4.075 4.340 0.001 0.000 0.213 230 L C 2.245 179.271 176.870 0.259 0.000 1.072 230 L CA 1.615 56.605 54.840 0.249 0.000 0.755 230 L CB -0.309 41.771 42.059 0.035 0.000 0.889 230 L HN 0.499 nan 8.230 nan 0.000 0.432 231 K N -0.223 120.259 120.400 0.137 0.000 2.026 231 K HA -0.164 4.157 4.320 0.001 0.000 0.208 231 K C 1.793 178.467 176.600 0.123 0.000 1.048 231 K CA 1.555 57.912 56.287 0.117 0.000 0.929 231 K CB -0.268 32.264 32.500 0.054 0.000 0.713 231 K HN 0.282 nan 8.250 nan 0.000 0.439 232 D N 0.795 121.259 120.400 0.107 0.000 2.144 232 D HA -0.134 4.506 4.640 0.001 0.000 0.199 232 D C 1.907 178.236 176.300 0.050 0.000 0.984 232 D CA 1.275 55.323 54.000 0.080 0.000 0.834 232 D CB -0.073 40.787 40.800 0.100 0.000 0.955 232 D HN 0.186 nan 8.370 nan 0.000 0.465 233 M N 0.117 119.754 119.600 0.062 0.000 2.099 233 M HA -0.155 4.326 4.480 0.001 0.000 0.262 233 M C 1.851 178.126 176.300 -0.041 0.000 1.067 233 M CA 1.230 56.473 55.300 -0.096 0.000 1.124 233 M CB -0.157 32.343 32.600 -0.167 0.000 1.353 233 M HN -0.141 nan 8.290 nan 0.000 0.410 234 D N -0.072 120.484 120.400 0.260 0.000 2.182 234 D HA -0.220 4.420 4.640 0.001 0.000 0.201 234 D C 1.946 178.334 176.300 0.147 0.000 0.986 234 D CA 1.146 55.349 54.000 0.338 0.000 0.847 234 D CB 0.036 41.112 40.800 0.460 0.000 0.942 234 D HN 0.128 nan 8.370 nan 0.000 0.467 235 Q N -0.352 119.504 119.800 0.093 0.000 2.291 235 Q HA -0.080 4.261 4.340 0.001 0.000 0.206 235 Q C 1.244 177.265 176.000 0.034 0.000 0.976 235 Q CA 1.213 57.053 55.803 0.062 0.000 0.875 235 Q CB -0.009 28.759 28.738 0.050 0.000 0.927 235 Q HN 0.338 nan 8.270 nan 0.000 0.450 236 Q N -0.965 118.828 119.800 -0.012 0.000 2.282 236 Q HA 0.260 4.601 4.340 0.001 0.000 0.206 236 Q C -0.195 175.768 176.000 -0.063 0.000 0.878 236 Q CA 0.108 55.891 55.803 -0.033 0.000 0.944 236 Q CB 0.827 29.519 28.738 -0.078 0.000 1.100 236 Q HN 0.299 nan 8.270 nan 0.000 0.509 237 L N 0.382 121.552 121.223 -0.088 0.000 2.330 237 L HA 0.340 4.681 4.340 0.001 0.000 0.271 237 L C 0.934 177.807 176.870 0.004 0.000 1.013 237 L CA -0.553 54.200 54.840 -0.146 0.000 0.816 237 L CB 1.382 43.185 42.059 -0.427 0.000 1.287 237 L HN -0.159 nan 8.230 nan 0.000 0.435 238 D N 1.193 121.590 120.400 -0.004 0.000 2.216 238 D HA 0.091 4.732 4.640 0.001 0.000 0.208 238 D C -0.294 176.218 176.300 0.354 0.000 0.960 238 D CA 1.383 55.493 54.000 0.184 0.000 0.861 238 D CB 0.611 41.538 40.800 0.213 0.000 0.985 238 D HN 0.343 nan 8.370 nan 0.000 0.493 239 F N -2.333 117.638 119.950 0.034 0.000 2.799 239 F HA 0.470 4.997 4.527 0.001 0.000 0.316 239 F C -2.259 173.591 175.800 0.084 0.000 1.155 239 F CA -1.667 56.409 58.000 0.127 0.000 0.916 239 F CB 0.420 39.456 39.000 0.060 0.000 1.294 239 F HN -0.345 nan 8.300 nan 0.000 0.447 240 W N 1.584 122.993 121.300 0.182 0.000 2.587 240 W HA 0.556 5.216 4.660 0.001 0.000 0.324 240 W C -0.847 175.730 176.519 0.095 0.000 1.040 240 W CA -0.775 56.598 57.345 0.047 0.000 1.222 240 W CB 1.507 30.925 29.460 -0.070 0.000 1.381 240 W HN 0.324 nan 8.180 nan 0.000 0.483 241 N N 3.593 122.476 118.700 0.305 0.000 2.527 241 N HA 0.188 4.929 4.740 0.001 0.000 0.236 241 N C -1.037 174.576 175.510 0.172 0.000 0.999 241 N CA -0.578 52.616 53.050 0.241 0.000 0.935 241 N CB 1.382 40.030 38.487 0.269 0.000 1.132 241 N HN 0.367 nan 8.380 nan 0.000 0.511 242 L N 2.860 124.116 121.223 0.056 0.000 2.433 242 L HA 0.219 4.560 4.340 0.001 0.000 0.275 242 L C 0.391 177.213 176.870 -0.080 0.000 1.128 242 L CA 0.322 55.149 54.840 -0.022 0.000 0.875 242 L CB 0.192 42.183 42.059 -0.112 0.000 1.171 242 L HN 0.438 nan 8.230 nan 0.000 0.463 243 M N 6.372 125.897 119.600 -0.127 0.000 3.237 243 M HA 0.222 4.703 4.480 0.001 0.000 0.266 243 M C 0.710 176.634 176.300 -0.628 0.000 1.456 243 M CA -0.061 54.888 55.300 -0.586 0.000 1.593 243 M CB 0.176 32.573 32.600 -0.338 0.000 1.129 243 M HN 0.790 nan 8.290 nan 0.000 0.547 244 A N 3.497 126.020 122.820 -0.496 0.000 3.074 244 A HA 0.371 4.692 4.320 0.001 0.000 0.251 244 A C -0.706 176.604 177.584 -0.457 0.000 1.695 244 A CA -0.150 51.753 52.037 -0.224 0.000 1.343 244 A CB -0.959 18.016 19.000 -0.042 0.000 1.078 244 A HN 0.738 nan 8.150 nan 0.000 0.644 245 Y N -4.578 115.501 120.300 -0.367 0.000 2.853 245 Y HA 0.539 5.090 4.550 0.001 0.000 0.326 245 Y C -0.262 175.531 175.900 -0.178 0.000 1.384 245 Y CA -1.893 55.953 58.100 -0.424 0.000 1.077 245 Y CB 0.121 38.522 38.460 -0.097 0.000 1.395 245 Y HN 0.177 nan 8.280 nan 0.000 0.451 246 D N -0.707 119.912 120.400 0.364 0.000 2.837 246 D HA -0.209 4.432 4.640 0.001 0.000 0.230 246 D C 0.383 177.002 176.300 0.532 0.000 1.152 246 D CA 1.092 55.391 54.000 0.498 0.000 0.736 246 D CB -1.275 39.835 40.800 0.516 0.000 1.084 246 D HN 0.633 nan 8.370 nan 0.000 0.429 247 Y N -0.731 119.779 120.300 0.349 0.000 2.439 247 Y HA 0.271 4.821 4.550 0.001 0.000 0.292 247 Y C 1.666 177.893 175.900 0.545 0.000 1.130 247 Y CA 0.742 59.040 58.100 0.331 0.000 1.254 247 Y CB 0.132 38.806 38.460 0.357 0.000 1.000 247 Y HN 0.252 nan 8.280 nan 0.000 0.554 248 A N -1.414 121.775 122.820 0.614 0.000 2.549 248 A HA 0.805 5.126 4.320 0.001 0.000 0.297 248 A C 0.157 177.770 177.584 0.049 0.000 1.061 248 A CA 0.070 52.317 52.037 0.350 0.000 0.690 248 A CB 1.288 20.460 19.000 0.287 0.000 1.287 248 A HN 0.272 nan 8.150 nan 0.000 0.402 249 G N -0.655 107.813 108.800 -0.553 0.000 2.364 249 G HA2 0.514 4.475 3.960 0.001 0.000 0.286 249 G HA3 0.514 4.475 3.960 0.001 0.000 0.286 249 G C 0.849 175.314 174.900 -0.725 0.000 1.241 249 G CA 0.780 45.389 45.100 -0.819 0.000 0.887 249 G HN 1.759 nan 8.290 nan 0.000 0.484 250 S N -0.374 115.030 115.700 -0.493 0.000 2.442 250 S HA -0.058 4.413 4.470 0.001 0.000 0.236 250 S C 1.947 176.572 174.600 0.041 0.000 1.007 250 S CA 2.126 60.297 58.200 -0.049 0.000 0.965 250 S CB -0.617 62.614 63.200 0.052 0.000 0.773 250 S HN 1.082 nan 8.310 nan 0.000 0.504 251 F N 1.561 121.621 119.950 0.184 0.000 2.811 251 F HA 0.498 5.026 4.527 0.001 0.000 0.301 251 F C 0.471 176.392 175.800 0.201 0.000 1.151 251 F CA -0.968 57.123 58.000 0.152 0.000 1.412 251 F CB -0.897 38.155 39.000 0.086 0.000 1.113 251 F HN -0.038 nan 8.300 nan 0.000 0.579 252 S N 0.084 115.809 115.700 0.041 0.000 2.578 252 S HA 0.244 4.714 4.470 0.001 0.000 0.283 252 S C 1.078 175.837 174.600 0.264 0.000 1.195 252 S CA -0.449 57.860 58.200 0.181 0.000 1.050 252 S CB 1.769 65.017 63.200 0.079 0.000 1.012 252 S HN 0.215 nan 8.310 nan 0.000 0.511 253 S N 1.167 116.977 115.700 0.182 0.000 2.383 253 S HA 0.082 4.552 4.470 0.001 0.000 0.227 253 S C 0.502 175.207 174.600 0.175 0.000 1.026 253 S CA 0.911 59.188 58.200 0.129 0.000 0.981 253 S CB -0.285 62.953 63.200 0.063 0.000 0.818 253 S HN 0.486 nan 8.310 nan 0.000 0.472 254 L N 0.338 121.658 121.223 0.163 0.000 2.303 254 L HA 0.447 4.788 4.340 0.001 0.000 0.256 254 L C 0.187 176.936 176.870 -0.202 0.000 1.034 254 L CA -0.971 53.931 54.840 0.103 0.000 0.832 254 L CB 1.709 43.745 42.059 -0.038 0.000 1.403 254 L HN 0.037 nan 8.230 nan 0.000 0.419 255 S N -0.444 114.949 115.700 -0.512 0.000 2.584 255 S HA 0.729 5.199 4.470 0.001 0.000 0.270 255 S C -0.025 173.952 174.600 -1.038 0.000 1.346 255 S CA 0.175 57.465 58.200 -1.516 0.000 1.018 255 S CB 1.270 63.775 63.200 -1.158 0.000 0.899 255 S HN 0.967 nan 8.310 nan 0.000 0.542 256 G N 0.301 108.413 108.800 -1.148 0.000 2.495 256 G HA2 0.422 4.383 3.960 0.001 0.000 0.294 256 G HA3 0.422 4.383 3.960 0.001 0.000 0.294 256 G C -1.749 172.909 174.900 -0.403 0.000 1.397 256 G CA -0.966 43.773 45.100 -0.602 0.000 0.790 256 G HN 0.789 nan 8.290 nan 0.000 0.486 257 H N 0.474 119.546 119.070 0.002 0.000 2.646 257 H HA 0.205 4.762 4.556 0.001 0.000 0.325 257 H C 0.901 176.366 175.328 0.228 0.000 1.075 257 H CA 0.414 56.523 56.048 0.102 0.000 1.421 257 H CB 1.965 31.781 29.762 0.089 0.000 1.461 257 H HN 0.717 nan 8.280 nan 0.000 0.525 258 Q N 1.550 121.532 119.800 0.304 0.000 2.392 258 Q HA 0.317 4.658 4.340 0.001 0.000 0.203 258 Q C 0.545 176.506 176.000 -0.066 0.000 0.917 258 Q CA 0.569 56.523 55.803 0.253 0.000 0.939 258 Q CB 0.874 29.755 28.738 0.237 0.000 1.063 258 Q HN 0.510 nan 8.270 nan 0.000 0.516 259 A N 1.485 124.285 122.820 -0.033 0.000 2.515 259 A HA 0.139 4.460 4.320 0.001 0.000 0.253 259 A C -0.563 177.017 177.584 -0.007 0.000 0.863 259 A CA -0.734 51.133 52.037 -0.283 0.000 1.124 259 A CB -0.239 18.668 19.000 -0.155 0.000 1.214 259 A HN 0.443 nan 8.150 nan 0.000 0.470 260 N N 0.332 119.153 118.700 0.201 0.000 2.441 260 N HA 0.132 4.872 4.740 0.001 0.000 0.251 260 N C 0.832 176.388 175.510 0.078 0.000 1.242 260 N CA 0.220 53.337 53.050 0.112 0.000 0.898 260 N CB 1.388 39.947 38.487 0.119 0.000 1.100 260 N HN -0.058 nan 8.380 nan 0.000 0.443 261 V N 0.805 120.618 119.914 -0.167 0.000 2.446 261 V HA -0.034 4.087 4.120 0.001 0.000 0.244 261 V C -0.012 175.775 176.094 -0.512 0.000 1.039 261 V CA 1.232 63.236 62.300 -0.493 0.000 1.045 261 V CB -0.724 30.480 31.823 -1.032 0.000 0.681 261 V HN 0.596 nan 8.190 nan 0.000 0.459 262 Y N -0.744 119.519 120.300 -0.062 0.000 2.587 262 Y HA 0.476 5.027 4.550 0.001 0.000 0.337 262 Y C 0.250 176.145 175.900 -0.009 0.000 1.065 262 Y CA -1.765 56.318 58.100 -0.028 0.000 1.126 262 Y CB 0.525 38.962 38.460 -0.039 0.000 1.279 262 Y HN -0.018 nan 8.280 nan 0.000 0.489 263 N N 1.065 119.873 118.700 0.180 0.000 2.518 263 N HA -0.006 4.734 4.740 0.001 0.000 0.266 263 N C -1.104 174.447 175.510 0.069 0.000 1.196 263 N CA 0.018 53.120 53.050 0.088 0.000 0.947 263 N CB 0.463 38.980 38.487 0.050 0.000 1.098 263 N HN 0.560 nan 8.380 nan 0.000 0.450 264 D N 2.125 122.555 120.400 0.050 0.000 2.468 264 D HA 0.149 4.790 4.640 0.001 0.000 0.218 264 D C 0.400 176.707 176.300 0.012 0.000 1.155 264 D CA -0.125 53.894 54.000 0.032 0.000 0.924 264 D CB 0.276 41.105 40.800 0.048 0.000 1.029 264 D HN 0.577 nan 8.370 nan 0.000 0.515 265 T N 0.881 115.436 114.554 0.001 0.000 2.759 265 T HA -0.196 4.155 4.350 0.001 0.000 0.269 265 T C 1.856 176.548 174.700 -0.013 0.000 1.042 265 T CA 1.747 63.841 62.100 -0.009 0.000 1.140 265 T CB -0.062 68.796 68.868 -0.016 0.000 0.864 265 T HN 0.483 nan 8.240 nan 0.000 0.455 266 S N 0.744 116.438 115.700 -0.011 0.000 2.522 266 S HA 0.065 4.536 4.470 0.001 0.000 0.227 266 S C 0.945 175.535 174.600 -0.016 0.000 0.986 266 S CA 0.293 58.485 58.200 -0.014 0.000 0.929 266 S CB -0.105 63.087 63.200 -0.013 0.000 0.769 266 S HN 0.376 nan 8.310 nan 0.000 0.529 267 N N 1.107 119.800 118.700 -0.011 0.000 2.700 267 N HA 0.294 5.035 4.740 0.001 0.000 0.242 267 N C -2.427 173.075 175.510 -0.014 0.000 1.541 267 N CA -1.704 51.334 53.050 -0.020 0.000 0.764 267 N CB 1.233 39.708 38.487 -0.019 0.000 1.319 267 N HN 0.012 nan 8.380 nan 0.000 0.518 268 P HA -0.117 nan 4.420 nan 0.000 0.221 268 P C 1.392 178.668 177.300 -0.041 0.000 1.145 268 P CA 0.686 63.771 63.100 -0.025 0.000 0.795 268 P CB 0.599 32.278 31.700 -0.034 0.000 0.775 269 L N 0.325 121.516 121.223 -0.054 0.000 2.275 269 L HA -0.095 4.246 4.340 0.001 0.000 0.215 269 L C 2.625 179.440 176.870 -0.092 0.000 1.119 269 L CA 1.735 56.532 54.840 -0.072 0.000 0.790 269 L CB -0.888 41.126 42.059 -0.075 0.000 0.919 269 L HN 0.140 nan 8.230 nan 0.000 0.443 270 S N -1.918 113.731 115.700 -0.085 0.000 2.527 270 S HA -0.045 4.426 4.470 0.001 0.000 0.222 270 S C 1.131 175.735 174.600 0.008 0.000 0.985 270 S CA 0.438 58.557 58.200 -0.135 0.000 0.921 270 S CB -0.397 62.714 63.200 -0.149 0.000 0.772 270 S HN 0.435 nan 8.310 nan 0.000 0.529 271 T N -0.332 114.257 114.554 0.057 0.000 3.390 271 T HA 0.463 4.814 4.350 0.001 0.000 0.351 271 T C -1.905 172.795 174.700 0.000 0.000 1.759 271 T CA -1.573 60.593 62.100 0.111 0.000 1.561 271 T CB 1.299 70.244 68.868 0.128 0.000 1.011 271 T HN 0.030 nan 8.240 nan 0.000 0.689 272 P HA 0.051 nan 4.420 nan 0.000 0.222 272 P C -0.281 176.632 177.300 -0.645 0.000 1.147 272 P CA 0.610 63.544 63.100 -0.276 0.000 0.790 272 P CB 0.006 31.616 31.700 -0.150 0.000 0.780 273 F N -0.274 119.598 119.950 -0.131 0.000 2.664 273 F HA 0.425 4.952 4.527 0.001 0.000 0.317 273 F C 0.081 175.662 175.800 -0.365 0.000 1.108 273 F CA -0.892 56.886 58.000 -0.370 0.000 0.957 273 F CB 1.386 39.891 39.000 -0.824 0.000 1.365 273 F HN -0.182 nan 8.300 nan 0.000 0.475 274 N N -2.685 115.911 118.700 -0.173 0.000 2.504 274 N HA 0.313 5.054 4.740 0.001 0.000 0.268 274 N C -0.730 174.766 175.510 -0.023 0.000 1.184 274 N CA -0.678 52.347 53.050 -0.042 0.000 0.875 274 N CB 1.638 40.141 38.487 0.026 0.000 1.630 274 N HN 0.374 nan 8.380 nan 0.000 0.486 275 T N -0.106 114.503 114.554 0.091 0.000 2.788 275 T HA -0.198 4.152 4.350 0.001 0.000 0.268 275 T C 1.438 176.180 174.700 0.069 0.000 1.044 275 T CA 1.710 63.876 62.100 0.111 0.000 1.139 275 T CB -0.295 68.624 68.868 0.086 0.000 0.867 275 T HN 0.636 nan 8.240 nan 0.000 0.454 276 Q N 1.161 120.960 119.800 -0.003 0.000 2.061 276 Q HA -0.125 4.216 4.340 0.001 0.000 0.204 276 Q C 2.310 178.369 176.000 0.098 0.000 0.984 276 Q CA 2.045 57.899 55.803 0.086 0.000 0.846 276 Q CB -1.002 27.804 28.738 0.114 0.000 0.902 276 Q HN 0.436 nan 8.270 nan 0.000 0.421 277 T N 0.243 114.837 114.554 0.068 0.000 2.684 277 T HA -0.175 4.176 4.350 0.001 0.000 0.267 277 T C 1.672 176.400 174.700 0.046 0.000 1.036 277 T CA 1.548 63.675 62.100 0.046 0.000 1.148 277 T CB -0.645 68.235 68.868 0.020 0.000 0.863 277 T HN 0.496 nan 8.240 nan 0.000 0.436 278 A N 1.089 123.952 122.820 0.071 0.000 1.877 278 A HA 0.018 4.338 4.320 0.001 0.000 0.216 278 A C 2.313 180.023 177.584 0.209 0.000 1.186 278 A CA 1.210 53.318 52.037 0.117 0.000 0.620 278 A CB -0.851 18.253 19.000 0.174 0.000 0.822 278 A HN 0.478 nan 8.150 nan 0.000 0.443 279 L N -0.581 120.752 121.223 0.183 0.000 2.083 279 L HA -0.189 4.152 4.340 0.001 0.000 0.209 279 L C 1.997 178.932 176.870 0.108 0.000 1.083 279 L CA 1.353 56.290 54.840 0.163 0.000 0.752 279 L CB -0.612 41.506 42.059 0.100 0.000 0.899 279 L HN 0.300 nan 8.230 nan 0.000 0.433 280 D N 0.032 120.476 120.400 0.074 0.000 2.144 280 D HA -0.131 4.510 4.640 0.001 0.000 0.200 280 D C 2.370 178.667 176.300 -0.004 0.000 0.978 280 D CA 1.068 55.089 54.000 0.035 0.000 0.833 280 D CB -0.058 40.764 40.800 0.036 0.000 0.961 280 D HN 0.251 nan 8.370 nan 0.000 0.470 281 L N -0.636 120.566 121.223 -0.035 0.000 2.093 281 L HA -0.163 4.178 4.340 0.001 0.000 0.208 281 L C 2.245 178.998 176.870 -0.196 0.000 1.085 281 L CA 0.886 55.646 54.840 -0.134 0.000 0.755 281 L CB -0.408 41.526 42.059 -0.208 0.000 0.904 281 L HN 0.077 nan 8.230 nan 0.000 0.435 282 Y N -0.067 120.157 120.300 -0.127 0.000 2.200 282 Y HA -0.180 4.371 4.550 0.001 0.000 0.290 282 Y C 2.827 178.615 175.900 -0.187 0.000 1.137 282 Y CA 1.210 59.181 58.100 -0.214 0.000 1.163 282 Y CB -0.140 38.147 38.460 -0.287 0.000 0.988 282 Y HN 0.003 nan 8.280 nan 0.000 0.518 283 R N -0.460 120.053 120.500 0.022 0.000 2.075 283 R HA -0.097 4.244 4.340 0.001 0.000 0.232 283 R C 2.437 178.719 176.300 -0.030 0.000 1.126 283 R CA 1.034 57.125 56.100 -0.016 0.000 0.963 283 R CB -0.561 29.733 30.300 -0.010 0.000 0.858 283 R HN 0.292 nan 8.270 nan 0.000 0.435 284 A N 0.628 123.427 122.820 -0.036 0.000 2.015 284 A HA -0.040 4.280 4.320 0.001 0.000 0.219 284 A C 2.121 179.674 177.584 -0.052 0.000 1.163 284 A CA 1.507 53.520 52.037 -0.041 0.000 0.646 284 A CB -0.547 18.427 19.000 -0.044 0.000 0.806 284 A HN 0.445 nan 8.150 nan 0.000 0.448 285 G N -2.086 106.669 108.800 -0.075 0.000 2.920 285 G HA2 0.355 4.316 3.960 0.001 0.000 0.208 285 G HA3 0.355 4.316 3.960 0.001 0.000 0.208 285 G C 1.097 175.967 174.900 -0.049 0.000 1.159 285 G CA 0.555 45.607 45.100 -0.079 0.000 0.784 285 G HN 1.599 nan 8.290 nan 0.000 0.535 286 G N -1.384 107.392 108.800 -0.040 0.000 2.179 286 G HA2 -0.231 3.730 3.960 0.001 0.000 0.220 286 G HA3 -0.231 3.730 3.960 0.001 0.000 0.220 286 G C 0.204 175.092 174.900 -0.019 0.000 0.990 286 G CA 0.008 45.096 45.100 -0.019 0.000 0.646 286 G HN 0.663 nan 8.290 nan 0.000 0.517 287 V N 2.479 122.355 119.914 -0.064 0.000 2.488 287 V HA 0.405 4.525 4.120 0.001 0.000 0.277 287 V C -1.431 174.614 176.094 -0.082 0.000 1.046 287 V CA -1.276 60.958 62.300 -0.111 0.000 0.986 287 V CB 1.164 32.769 31.823 -0.362 0.000 0.989 287 V HN 0.137 nan 8.190 nan 0.000 0.475 288 P HA 0.128 nan 4.420 nan 0.000 0.268 288 P C 0.642 177.915 177.300 -0.045 0.000 1.204 288 P CA 0.062 63.150 63.100 -0.019 0.000 0.768 288 P CB 0.858 32.569 31.700 0.018 0.000 0.842 289 A N 4.228 127.022 122.820 -0.045 0.000 1.908 289 A HA -0.238 4.083 4.320 0.001 0.000 0.218 289 A C 1.638 179.198 177.584 -0.040 0.000 1.181 289 A CA 2.101 54.104 52.037 -0.058 0.000 0.627 289 A CB -1.409 17.559 19.000 -0.054 0.000 0.818 289 A HN 0.712 nan 8.150 nan 0.000 0.445 290 N N -0.489 118.199 118.700 -0.019 0.000 2.575 290 N HA -0.066 4.675 4.740 0.001 0.000 0.192 290 N C 0.737 176.255 175.510 0.013 0.000 1.200 290 N CA 1.061 54.105 53.050 -0.010 0.000 0.897 290 N CB -0.281 38.191 38.487 -0.024 0.000 0.990 290 N HN 0.551 nan 8.380 nan 0.000 0.449 291 K N -0.136 120.290 120.400 0.042 0.000 2.374 291 K HA 0.305 4.626 4.320 0.001 0.000 0.202 291 K C -0.255 176.447 176.600 0.169 0.000 1.040 291 K CA -0.054 56.325 56.287 0.154 0.000 1.085 291 K CB 0.739 33.381 32.500 0.238 0.000 0.873 291 K HN 0.243 nan 8.250 nan 0.000 0.539 292 I N 1.942 122.518 120.570 0.010 0.000 2.355 292 I HA 0.189 4.360 4.170 0.001 0.000 0.288 292 I C -0.402 175.693 176.117 -0.037 0.000 0.999 292 I CA -1.007 60.260 61.300 -0.054 0.000 1.163 292 I CB 1.717 39.586 38.000 -0.220 0.000 1.316 292 I HN -0.308 nan 8.210 nan 0.000 0.454 293 V N 6.850 126.768 119.914 0.007 0.000 2.439 293 V HA 0.200 4.321 4.120 0.001 0.000 0.282 293 V C 0.054 176.113 176.094 -0.060 0.000 1.039 293 V CA -0.668 61.603 62.300 -0.048 0.000 0.913 293 V CB 1.774 33.572 31.823 -0.042 0.000 0.983 293 V HN 0.436 nan 8.190 nan 0.000 0.460 294 L N 5.647 126.809 121.223 -0.102 0.000 2.342 294 L HA 0.551 4.892 4.340 0.001 0.000 0.285 294 L C 0.855 177.638 176.870 -0.145 0.000 1.095 294 L CA 0.510 55.293 54.840 -0.094 0.000 0.843 294 L CB 0.233 42.254 42.059 -0.063 0.000 1.201 294 L HN 0.732 nan 8.230 nan 0.000 0.445 295 G N 5.905 114.657 108.800 -0.079 0.000 2.406 295 G HA2 0.468 4.428 3.960 0.001 0.000 0.251 295 G HA3 0.468 4.428 3.960 0.001 0.000 0.251 295 G C -0.521 174.413 174.900 0.056 0.000 1.271 295 G CA -0.519 44.582 45.100 0.002 0.000 0.859 295 G HN 0.615 nan 8.290 nan 0.000 0.540 296 M N 3.270 122.944 119.600 0.123 0.000 2.446 296 M HA 0.345 4.825 4.480 0.001 0.000 0.294 296 M C -2.525 173.955 176.300 0.300 0.000 1.158 296 M CA -1.876 53.518 55.300 0.156 0.000 0.899 296 M CB 3.630 36.191 32.600 -0.064 0.000 1.687 296 M HN 0.297 nan 8.290 nan 0.000 0.455 297 P HA 0.271 nan 4.420 nan 0.000 0.290 297 P C -0.829 176.427 177.300 -0.074 0.000 1.276 297 P CA -0.308 62.641 63.100 -0.252 0.000 0.808 297 P CB 0.911 32.084 31.700 -0.880 0.000 0.966 298 L N 3.909 125.207 121.223 0.125 0.000 3.034 298 L HA 0.290 4.631 4.340 0.001 0.000 0.245 298 L C -0.243 176.831 176.870 0.340 0.000 1.295 298 L CA -0.377 54.574 54.840 0.184 0.000 1.068 298 L CB -0.726 41.454 42.059 0.201 0.000 1.426 298 L HN 0.483 nan 8.230 nan 0.000 0.531 299 Y N -3.151 117.293 120.300 0.240 0.000 2.689 299 Y HA 0.834 5.385 4.550 0.001 0.000 0.333 299 Y C -0.269 175.805 175.900 0.289 0.000 1.208 299 Y CA -1.405 56.854 58.100 0.264 0.000 1.055 299 Y CB 0.848 39.450 38.460 0.237 0.000 1.304 299 Y HN -0.127 nan 8.280 nan 0.000 0.455 300 G N 0.860 109.938 108.800 0.464 0.000 2.481 300 G HA2 0.693 4.654 3.960 0.001 0.000 0.315 300 G HA3 0.693 4.654 3.960 0.001 0.000 0.315 300 G C -1.651 173.525 174.900 0.460 0.000 1.231 300 G CA -1.521 43.832 45.100 0.422 0.000 0.968 300 G HN 0.619 nan 8.290 nan 0.000 0.482 301 R N 0.523 121.209 120.500 0.311 0.000 2.387 301 R HA 0.522 4.862 4.340 0.001 0.000 0.314 301 R C -0.170 176.053 176.300 -0.129 0.000 0.958 301 R CA -0.477 55.685 56.100 0.104 0.000 0.846 301 R CB 1.870 32.197 30.300 0.045 0.000 1.147 301 R HN 0.674 nan 8.270 nan 0.000 0.447 302 S N 2.093 117.645 115.700 -0.247 0.000 2.638 302 S HA 0.699 5.170 4.470 0.001 0.000 0.298 302 S C -0.560 173.509 174.600 -0.885 0.000 1.111 302 S CA -0.687 57.247 58.200 -0.443 0.000 1.027 302 S CB 1.084 64.177 63.200 -0.177 0.000 1.064 302 S HN 0.384 nan 8.310 nan 0.000 0.525 303 F N 0.103 119.817 119.950 -0.394 0.000 2.557 303 F HA 0.709 5.236 4.527 0.001 0.000 0.316 303 F C 0.348 176.093 175.800 -0.091 0.000 1.141 303 F CA -0.784 57.047 58.000 -0.283 0.000 0.922 303 F CB 1.886 40.608 39.000 -0.463 0.000 1.194 303 F HN 0.942 nan 8.300 nan 0.000 0.443 304 A N 2.113 125.163 122.820 0.383 0.000 2.269 304 A HA 0.588 4.909 4.320 0.001 0.000 0.319 304 A C 0.243 178.064 177.584 0.395 0.000 1.110 304 A CA -0.776 51.560 52.037 0.498 0.000 0.847 304 A CB 0.298 19.609 19.000 0.518 0.000 1.161 304 A HN 0.873 nan 8.150 nan 0.000 0.497 305 N N -0.147 118.747 118.700 0.324 0.000 2.705 305 N HA -0.142 4.598 4.740 0.001 0.000 0.255 305 N C -0.329 175.326 175.510 0.242 0.000 1.008 305 N CA 1.550 54.742 53.050 0.237 0.000 0.742 305 N CB -1.105 37.491 38.487 0.182 0.000 0.906 305 N HN 0.791 nan 8.380 nan 0.000 0.541 306 T N -1.103 113.618 114.554 0.278 0.000 2.893 306 T HA 0.289 4.640 4.350 0.001 0.000 0.291 306 T C 0.626 175.476 174.700 0.251 0.000 1.028 306 T CA -0.666 61.573 62.100 0.231 0.000 0.995 306 T CB 1.313 70.301 68.868 0.200 0.000 1.051 306 T HN -0.050 nan 8.240 nan 0.000 0.470 307 D N 2.187 122.656 120.400 0.114 0.000 2.234 307 D HA 0.257 4.897 4.640 0.001 0.000 0.205 307 D C 1.064 177.243 176.300 -0.202 0.000 0.962 307 D CA 1.037 55.071 54.000 0.057 0.000 0.855 307 D CB 0.309 41.111 40.800 0.004 0.000 0.951 307 D HN 0.818 nan 8.370 nan 0.000 0.500 308 G N -0.525 108.131 108.800 -0.240 0.000 2.317 308 G HA2 0.257 4.217 3.960 0.001 0.000 0.293 308 G HA3 0.257 4.217 3.960 0.001 0.000 0.293 308 G C -3.034 171.624 174.900 -0.403 0.000 1.287 308 G CA -0.967 43.863 45.100 -0.450 0.000 0.850 308 G HN -0.258 nan 8.290 nan 0.000 0.515 309 P HA 0.378 nan 4.420 nan 0.000 0.268 309 P C 0.807 177.868 177.300 -0.398 0.000 1.204 309 P CA 1.879 64.619 63.100 -0.601 0.000 0.768 309 P CB 0.978 32.235 31.700 -0.739 0.000 0.842 310 G N 0.928 109.488 108.800 -0.400 0.000 2.198 310 G HA2 -0.203 3.757 3.960 0.001 0.000 0.257 310 G HA3 -0.203 3.757 3.960 0.001 0.000 0.257 310 G C -0.026 174.765 174.900 -0.182 0.000 1.042 310 G CA -0.087 44.861 45.100 -0.253 0.000 0.791 310 G HN 0.484 nan 8.290 nan 0.000 0.502 311 K N -0.605 119.681 120.400 -0.190 0.000 2.400 311 K HA 0.562 4.883 4.320 0.001 0.000 0.246 311 K C -2.731 173.857 176.600 -0.019 0.000 0.995 311 K CA -2.200 54.029 56.287 -0.097 0.000 0.840 311 K CB 1.762 34.205 32.500 -0.094 0.000 1.293 311 K HN -0.083 nan 8.250 nan 0.000 0.445 312 P HA 0.028 nan 4.420 nan 0.000 0.268 312 P C -1.086 176.304 177.300 0.150 0.000 1.208 312 P CA 0.317 63.448 63.100 0.051 0.000 0.777 312 P CB 0.156 31.858 31.700 0.003 0.000 0.875 313 Y N -0.289 120.020 120.300 0.015 0.000 2.677 313 Y HA 0.737 5.288 4.550 0.001 0.000 0.334 313 Y C -1.232 174.724 175.900 0.093 0.000 1.154 313 Y CA -1.513 56.633 58.100 0.076 0.000 1.070 313 Y CB 1.273 39.812 38.460 0.132 0.000 1.294 313 Y HN 0.170 nan 8.280 nan 0.000 0.475 314 N N 0.857 119.639 118.700 0.137 0.000 2.607 314 N HA 0.526 5.267 4.740 0.001 0.000 0.271 314 N C -0.574 175.049 175.510 0.188 0.000 1.142 314 N CA 0.670 53.737 53.050 0.029 0.000 0.810 314 N CB 1.333 39.843 38.487 0.039 0.000 1.306 314 N HN 1.496 nan 8.380 nan 0.000 0.536 315 G N 0.445 109.370 108.800 0.209 0.000 2.746 315 G HA2 -0.116 3.844 3.960 0.001 0.000 0.685 315 G HA3 -0.116 3.844 3.960 0.001 0.000 0.685 315 G C 0.187 175.313 174.900 0.378 0.000 1.350 315 G CA -0.257 44.998 45.100 0.258 0.000 0.837 315 G HN 1.271 nan 8.290 nan 0.000 0.564 316 V N -1.773 118.304 119.914 0.272 0.000 3.330 316 V HA 0.694 4.814 4.120 0.001 0.000 0.309 316 V C 1.687 178.015 176.094 0.389 0.000 1.481 316 V CA 1.140 63.567 62.300 0.211 0.000 1.068 316 V CB -0.193 31.641 31.823 0.019 0.000 0.935 316 V HN 3.007 nan 8.190 nan 0.000 0.453 317 G N 1.207 110.246 108.800 0.397 0.000 2.645 317 G HA2 -0.233 3.727 3.960 0.001 0.000 0.239 317 G HA3 -0.233 3.727 3.960 0.001 0.000 0.239 317 G C -0.293 174.756 174.900 0.248 0.000 1.331 317 G CA 0.546 45.887 45.100 0.402 0.000 0.890 317 G HN 0.645 nan 8.290 nan 0.000 0.572 318 Q N -0.787 119.152 119.800 0.232 0.000 2.722 318 Q HA 0.625 4.966 4.340 0.001 0.000 0.187 318 Q C 0.868 176.495 176.000 -0.621 0.000 1.110 318 Q CA 0.036 55.790 55.803 -0.081 0.000 0.798 318 Q CB 0.650 29.355 28.738 -0.056 0.000 3.872 318 Q HN 1.624 nan 8.270 nan 0.000 0.411 319 G N -1.280 106.807 108.800 -1.189 0.000 2.428 319 G HA2 0.216 4.177 3.960 0.001 0.000 0.304 319 G HA3 0.216 4.177 3.960 0.001 0.000 0.304 319 G C -0.367 173.779 174.900 -1.256 0.000 1.303 319 G CA -0.240 43.677 45.100 -1.972 0.000 0.825 319 G HN 0.365 nan 8.290 nan 0.000 0.484 320 S N -1.179 113.966 115.700 -0.926 0.000 2.356 320 S HA 0.048 4.519 4.470 0.001 0.000 0.219 320 S C 1.317 175.170 174.600 -1.245 0.000 1.036 320 S CA 1.622 59.246 58.200 -0.960 0.000 0.965 320 S CB -0.113 62.585 63.200 -0.836 0.000 0.864 320 S HN 0.581 nan 8.310 nan 0.000 0.471 321 W N 1.526 122.753 121.300 -0.122 0.000 2.773 321 W HA 0.341 5.002 4.660 0.002 0.000 0.297 321 W C 0.233 176.707 176.519 -0.075 0.000 1.050 321 W CA -0.568 56.745 57.345 -0.054 0.000 1.467 321 W CB 0.665 30.137 29.460 0.020 0.000 0.977 321 W HN 0.198 nan 8.180 nan 0.000 0.573 322 E N 0.225 120.418 120.200 -0.010 0.000 2.372 322 E HA 0.285 4.636 4.350 0.001 0.000 0.279 322 E C -0.806 175.691 176.600 -0.172 0.000 0.946 322 E CA -1.009 55.366 56.400 -0.042 0.000 0.769 322 E CB 0.709 30.425 29.700 0.027 0.000 1.230 322 E HN -0.295 nan 8.360 nan 0.000 0.442 323 N N 0.749 119.364 118.700 -0.140 0.000 2.458 323 N HA 0.263 5.003 4.740 0.001 0.000 0.258 323 N C 0.953 176.376 175.510 -0.145 0.000 1.219 323 N CA 1.641 54.588 53.050 -0.172 0.000 0.902 323 N CB 1.060 39.503 38.487 -0.073 0.000 1.076 323 N HN 0.950 nan 8.380 nan 0.000 0.455 324 G N -0.146 108.542 108.800 -0.187 0.000 2.176 324 G HA2 -0.234 3.726 3.960 0.001 0.000 0.253 324 G HA3 -0.234 3.726 3.960 0.001 0.000 0.253 324 G C -0.378 174.455 174.900 -0.112 0.000 0.979 324 G CA 0.251 45.294 45.100 -0.095 0.000 0.641 324 G HN 0.506 nan 8.290 nan 0.000 0.530 325 V N -0.182 119.569 119.914 -0.272 0.000 2.531 325 V HA 0.752 4.872 4.120 0.001 0.000 0.301 325 V C -0.662 175.278 176.094 -0.257 0.000 1.034 325 V CA -0.865 61.383 62.300 -0.086 0.000 0.865 325 V CB 1.384 33.194 31.823 -0.022 0.000 0.995 325 V HN 0.310 nan 8.190 nan 0.000 0.424 326 W N 1.417 122.802 121.300 0.142 0.000 2.702 326 W HA 0.564 5.225 4.660 0.002 0.000 0.331 326 W C -0.183 176.425 176.519 0.149 0.000 1.049 326 W CA -0.628 56.767 57.345 0.084 0.000 1.230 326 W CB 1.048 30.532 29.460 0.040 0.000 1.408 326 W HN 0.424 nan 8.180 nan 0.000 0.492 327 D N 1.398 121.997 120.400 0.332 0.000 2.443 327 D HA -0.118 4.523 4.640 0.001 0.000 0.239 327 D C 0.837 177.278 176.300 0.236 0.000 1.136 327 D CA 0.159 54.346 54.000 0.311 0.000 0.879 327 D CB 0.571 41.529 40.800 0.263 0.000 1.195 327 D HN 0.474 nan 8.370 nan 0.000 0.443 328 Y N 3.396 123.770 120.300 0.124 0.000 2.224 328 Y HA -0.238 4.313 4.550 0.001 0.000 0.289 328 Y C 1.948 177.833 175.900 -0.025 0.000 1.146 328 Y CA 1.821 59.927 58.100 0.009 0.000 1.182 328 Y CB 0.029 38.529 38.460 0.067 0.000 0.983 328 Y HN 0.417 nan 8.280 nan 0.000 0.524 329 K N -0.078 120.212 120.400 -0.184 0.000 2.515 329 K HA 0.068 4.389 4.320 0.001 0.000 0.196 329 K C 1.580 178.050 176.600 -0.217 0.000 1.038 329 K CA 1.085 57.199 56.287 -0.290 0.000 0.967 329 K CB -0.325 32.121 32.500 -0.090 0.000 0.780 329 K HN 0.290 nan 8.250 nan 0.000 0.483 330 A N 1.172 123.907 122.820 -0.142 0.000 2.308 330 A HA 0.298 4.619 4.320 0.001 0.000 0.217 330 A C 0.408 177.875 177.584 -0.195 0.000 1.216 330 A CA -0.368 51.608 52.037 -0.101 0.000 0.864 330 A CB 0.040 19.058 19.000 0.030 0.000 0.902 330 A HN 0.193 nan 8.150 nan 0.000 0.499 331 L N 0.733 121.760 121.223 -0.326 0.000 2.333 331 L HA 0.462 4.803 4.340 0.001 0.000 0.269 331 L C -2.431 174.257 176.870 -0.302 0.000 1.010 331 L CA -2.467 52.126 54.840 -0.412 0.000 0.818 331 L CB 2.062 43.623 42.059 -0.831 0.000 1.306 331 L HN -0.008 nan 8.230 nan 0.000 0.430 332 P HA 0.177 nan 4.420 nan 0.000 0.276 332 P C -1.448 175.774 177.300 -0.131 0.000 1.244 332 P CA -0.596 62.448 63.100 -0.094 0.000 0.801 332 P CB 0.867 32.606 31.700 0.066 0.000 1.006 333 Q N 0.336 120.045 119.800 -0.152 0.000 2.306 333 Q HA 0.474 4.815 4.340 0.001 0.000 0.241 333 Q C 0.295 176.233 176.000 -0.104 0.000 0.948 333 Q CA -0.716 54.990 55.803 -0.162 0.000 0.886 333 Q CB 0.549 29.142 28.738 -0.242 0.000 1.227 333 Q HN 0.528 nan 8.270 nan 0.000 0.457 334 A N 0.837 123.600 122.820 -0.096 0.000 2.565 334 A HA 0.333 4.654 4.320 0.001 0.000 0.237 334 A C 1.237 178.781 177.584 -0.067 0.000 1.053 334 A CA 0.870 52.865 52.037 -0.070 0.000 0.755 334 A CB -0.730 18.232 19.000 -0.064 0.000 0.980 334 A HN 1.022 nan 8.150 nan 0.000 0.506 335 G N 0.467 109.239 108.800 -0.048 0.000 2.241 335 G HA2 0.151 4.111 3.960 0.001 0.000 0.244 335 G HA3 0.151 4.111 3.960 0.001 0.000 0.244 335 G C 0.569 175.450 174.900 -0.032 0.000 0.998 335 G CA 0.622 45.697 45.100 -0.041 0.000 0.621 335 G HN 2.253 nan 8.290 nan 0.000 0.519 336 A N -0.232 122.571 122.820 -0.027 0.000 2.282 336 A HA 0.844 5.164 4.320 0.001 0.000 0.319 336 A C 0.196 177.775 177.584 -0.010 0.000 1.121 336 A CA 0.714 52.750 52.037 -0.002 0.000 0.836 336 A CB 1.128 20.144 19.000 0.027 0.000 1.146 336 A HN 0.720 nan 8.150 nan 0.000 0.494 337 T N 1.729 116.274 114.554 -0.016 0.000 2.841 337 T HA 0.393 4.744 4.350 0.001 0.000 0.283 337 T C -0.455 174.050 174.700 -0.324 0.000 1.000 337 T CA -0.406 61.610 62.100 -0.141 0.000 0.977 337 T CB 1.146 69.934 68.868 -0.133 0.000 0.979 337 T HN 0.691 nan 8.240 nan 0.000 0.446 338 E N 2.137 122.133 120.200 -0.340 0.000 2.343 338 E HA 0.286 4.637 4.350 0.001 0.000 0.269 338 E C -0.474 175.681 176.600 -0.742 0.000 1.047 338 E CA -0.631 55.532 56.400 -0.394 0.000 0.874 338 E CB 0.652 30.246 29.700 -0.176 0.000 1.033 338 E HN 0.526 nan 8.360 nan 0.000 0.409 339 H N 0.293 119.097 119.070 -0.442 0.000 2.771 339 H HA 0.360 4.917 4.556 0.001 0.000 0.361 339 H C -0.994 174.104 175.328 -0.383 0.000 1.108 339 H CA -0.593 55.173 56.048 -0.470 0.000 1.201 339 H CB 1.579 30.865 29.762 -0.794 0.000 1.681 339 H HN 0.156 nan 8.280 nan 0.000 0.534 340 V N 4.038 123.910 119.914 -0.070 0.000 2.555 340 V HA 0.314 4.435 4.120 0.001 0.000 0.302 340 V C 0.103 176.207 176.094 0.017 0.000 1.038 340 V CA -0.726 61.553 62.300 -0.035 0.000 0.887 340 V CB 2.316 34.118 31.823 -0.035 0.000 0.991 340 V HN 0.519 nan 8.190 nan 0.000 0.434 341 L N 6.746 127.980 121.223 0.017 0.000 2.445 341 L HA 0.345 4.686 4.340 0.001 0.000 0.252 341 L C -1.338 175.525 176.870 -0.012 0.000 1.105 341 L CA -1.352 53.493 54.840 0.008 0.000 0.943 341 L CB 1.863 43.913 42.059 -0.016 0.000 1.277 341 L HN 0.483 nan 8.230 nan 0.000 0.465 342 P HA -0.197 nan 4.420 nan 0.000 0.216 342 P C 0.518 177.833 177.300 0.025 0.000 1.150 342 P CA 1.274 64.380 63.100 0.010 0.000 0.843 342 P CB 0.425 32.133 31.700 0.012 0.000 0.787 343 D N -0.119 120.290 120.400 0.014 0.000 2.371 343 D HA -0.028 4.613 4.640 0.001 0.000 0.221 343 D C 1.697 178.048 176.300 0.084 0.000 0.986 343 D CA 0.719 54.727 54.000 0.014 0.000 0.899 343 D CB -0.139 40.642 40.800 -0.032 0.000 0.902 343 D HN 0.444 nan 8.370 nan 0.000 0.530 344 I N -4.230 116.381 120.570 0.068 0.000 4.147 344 I HA 0.247 4.418 4.170 0.001 0.000 0.329 344 I C 0.096 176.219 176.117 0.010 0.000 1.424 344 I CA -0.299 61.060 61.300 0.098 0.000 1.127 344 I CB 0.051 38.046 38.000 -0.009 0.000 1.128 344 I HN -0.280 nan 8.210 nan 0.000 0.417 345 M N 1.676 121.279 119.600 0.004 0.000 2.350 345 M HA -0.193 4.288 4.480 0.001 0.000 0.190 345 M C -0.127 176.129 176.300 -0.072 0.000 0.710 345 M CA 0.835 56.108 55.300 -0.046 0.000 0.495 345 M CB -1.525 31.009 32.600 -0.110 0.000 1.136 345 M HN 0.693 nan 8.290 nan 0.000 0.901 346 A N 0.376 123.146 122.820 -0.084 0.000 2.498 346 A HA 0.955 5.275 4.320 0.001 0.000 0.298 346 A C -0.053 177.509 177.584 -0.037 0.000 1.075 346 A CA 0.121 52.105 52.037 -0.089 0.000 0.714 346 A CB 1.835 20.681 19.000 -0.255 0.000 1.299 346 A HN 0.648 nan 8.150 nan 0.000 0.407 347 S N -0.308 115.391 115.700 -0.001 0.000 2.627 347 S HA 0.936 5.407 4.470 0.001 0.000 0.283 347 S C -0.916 173.701 174.600 0.027 0.000 1.127 347 S CA -0.520 57.654 58.200 -0.042 0.000 0.863 347 S CB 1.440 64.531 63.200 -0.182 0.000 1.121 347 S HN 1.982 nan 8.310 nan 0.000 0.479 348 Y N -1.640 118.572 120.300 -0.147 0.000 2.641 348 Y HA 0.787 5.338 4.550 0.001 0.000 0.333 348 Y C -0.918 174.980 175.900 -0.003 0.000 1.174 348 Y CA -0.909 57.125 58.100 -0.110 0.000 1.057 348 Y CB 0.632 39.157 38.460 0.107 0.000 1.322 348 Y HN 0.960 nan 8.280 nan 0.000 0.457 349 S N 1.241 117.097 115.700 0.260 0.000 2.537 349 S HA 0.771 5.242 4.470 0.001 0.000 0.301 349 S C -1.729 173.143 174.600 0.453 0.000 1.092 349 S CA -0.595 57.753 58.200 0.247 0.000 1.048 349 S CB 2.090 65.498 63.200 0.347 0.000 1.053 349 S HN 0.944 nan 8.310 nan 0.000 0.501 350 Y N 0.919 121.360 120.300 0.236 0.000 2.470 350 Y HA 0.506 5.057 4.550 0.001 0.000 0.341 350 Y C -1.772 174.252 175.900 0.206 0.000 1.021 350 Y CA -0.908 57.369 58.100 0.294 0.000 1.025 350 Y CB 1.994 40.712 38.460 0.430 0.000 1.266 350 Y HN 0.848 nan 8.280 nan 0.000 0.448 351 D N 4.316 124.441 120.400 -0.458 0.000 2.461 351 D HA 0.418 5.059 4.640 0.001 0.000 0.240 351 D C 0.250 176.203 176.300 -0.578 0.000 1.094 351 D CA 0.161 53.978 54.000 -0.304 0.000 0.868 351 D CB 1.802 42.525 40.800 -0.128 0.000 1.062 351 D HN 0.784 nan 8.370 nan 0.000 0.530 352 A N 2.802 125.433 122.820 -0.316 0.000 2.067 352 A HA -0.118 4.202 4.320 0.001 0.000 0.219 352 A C 2.030 179.586 177.584 -0.047 0.000 1.158 352 A CA 1.891 53.863 52.037 -0.108 0.000 0.661 352 A CB -0.570 18.541 19.000 0.185 0.000 0.801 352 A HN 0.647 nan 8.150 nan 0.000 0.452 353 T N -0.210 114.312 114.554 -0.053 0.000 2.746 353 T HA -0.176 4.175 4.350 0.001 0.000 0.267 353 T C 1.220 175.905 174.700 -0.025 0.000 1.039 353 T CA 1.575 63.662 62.100 -0.023 0.000 1.142 353 T CB -0.520 68.333 68.868 -0.025 0.000 0.866 353 T HN 0.622 nan 8.240 nan 0.000 0.444 354 N N 0.322 118.991 118.700 -0.052 0.000 2.187 354 N HA 0.148 4.889 4.740 0.001 0.000 0.212 354 N C -0.026 175.499 175.510 0.025 0.000 1.152 354 N CA -0.353 52.685 53.050 -0.019 0.000 0.872 354 N CB -0.093 38.364 38.487 -0.049 0.000 1.025 354 N HN 0.489 nan 8.380 nan 0.000 0.514 355 K N -0.190 120.179 120.400 -0.052 0.000 3.096 355 K HA -0.211 4.110 4.320 0.001 0.000 0.266 355 K C -1.190 175.492 176.600 0.138 0.000 1.043 355 K CA 0.386 56.676 56.287 0.005 0.000 0.758 355 K CB -1.868 30.740 32.500 0.181 0.000 1.260 355 K HN 0.284 nan 8.250 nan 0.000 0.481 356 F N 1.175 121.016 119.950 -0.182 0.000 2.415 356 F HA 0.506 5.034 4.527 0.001 0.000 0.348 356 F C -0.099 175.736 175.800 0.058 0.000 1.119 356 F CA -1.130 56.862 58.000 -0.013 0.000 1.069 356 F CB 0.898 39.867 39.000 -0.053 0.000 1.124 356 F HN 0.097 nan 8.300 nan 0.000 0.472 357 L N 7.147 128.321 121.223 -0.083 0.000 2.365 357 L HA 0.691 5.032 4.340 0.001 0.000 0.273 357 L C -1.473 175.357 176.870 -0.067 0.000 1.000 357 L CA -0.489 54.444 54.840 0.155 0.000 0.819 357 L CB 1.476 43.716 42.059 0.302 0.000 1.284 357 L HN 0.533 nan 8.230 nan 0.000 0.418 358 I N 3.453 124.105 120.570 0.137 0.000 2.478 358 I HA 0.258 4.429 4.170 0.001 0.000 0.287 358 I C -0.468 175.884 176.117 0.391 0.000 1.042 358 I CA -0.478 60.927 61.300 0.174 0.000 1.067 358 I CB 2.067 40.146 38.000 0.132 0.000 1.233 358 I HN 0.512 nan 8.210 nan 0.000 0.431 359 S N 7.232 123.141 115.700 0.348 0.000 2.411 359 S HA 0.587 5.058 4.470 0.001 0.000 0.294 359 S C -0.940 173.868 174.600 0.346 0.000 1.115 359 S CA -0.251 58.142 58.200 0.321 0.000 1.071 359 S CB -0.128 63.249 63.200 0.294 0.000 0.967 359 S HN 0.478 nan 8.310 nan 0.000 0.488 360 Y N 0.876 121.283 120.300 0.178 0.000 2.638 360 Y HA 0.661 5.212 4.550 0.001 0.000 0.335 360 Y C -1.182 174.772 175.900 0.089 0.000 1.155 360 Y CA -1.597 56.566 58.100 0.104 0.000 1.046 360 Y CB 0.376 38.934 38.460 0.164 0.000 1.303 360 Y HN 0.261 nan 8.280 nan 0.000 0.460 361 D N 2.208 122.666 120.400 0.097 0.000 2.225 361 D HA 0.210 4.851 4.640 0.001 0.000 0.248 361 D C -0.471 175.851 176.300 0.037 0.000 1.096 361 D CA -0.087 53.902 54.000 -0.019 0.000 0.863 361 D CB 1.030 41.812 40.800 -0.030 0.000 1.156 361 D HN 0.706 nan 8.370 nan 0.000 0.450 362 N N 1.424 120.130 118.700 0.010 0.000 2.530 362 N HA 0.368 5.109 4.740 0.001 0.000 0.283 362 N C -2.333 173.219 175.510 0.069 0.000 1.238 362 N CA -1.626 51.512 53.050 0.146 0.000 0.971 362 N CB -0.182 38.385 38.487 0.134 0.000 1.195 362 N HN -0.100 nan 8.380 nan 0.000 0.583 363 P HA -0.164 nan 4.420 nan 0.000 0.216 363 P C 1.347 178.680 177.300 0.054 0.000 1.150 363 P CA 1.573 64.722 63.100 0.081 0.000 0.837 363 P CB 0.200 31.964 31.700 0.107 0.000 0.786 364 Q N -0.254 119.572 119.800 0.044 0.000 2.096 364 Q HA -0.144 4.196 4.340 0.001 0.000 0.204 364 Q C 1.863 177.876 176.000 0.021 0.000 0.982 364 Q CA 1.582 57.401 55.803 0.028 0.000 0.850 364 Q CB -0.445 28.302 28.738 0.015 0.000 0.901 364 Q HN 0.047 nan 8.270 nan 0.000 0.422 365 V N 0.742 120.662 119.914 0.009 0.000 2.427 365 V HA -0.231 3.890 4.120 0.001 0.000 0.248 365 V C 2.315 178.419 176.094 0.017 0.000 1.051 365 V CA 1.590 63.889 62.300 -0.001 0.000 1.048 365 V CB -0.896 30.912 31.823 -0.024 0.000 0.666 365 V HN 0.492 nan 8.190 nan 0.000 0.456 366 A N 0.301 123.140 122.820 0.033 0.000 1.902 366 A HA -0.235 4.086 4.320 0.001 0.000 0.217 366 A C 2.112 179.739 177.584 0.071 0.000 1.181 366 A CA 1.983 54.062 52.037 0.069 0.000 0.623 366 A CB -0.637 18.413 19.000 0.083 0.000 0.818 366 A HN 0.582 nan 8.150 nan 0.000 0.443 367 N N 0.081 118.816 118.700 0.057 0.000 2.120 367 N HA -0.102 4.639 4.740 0.001 0.000 0.188 367 N C 1.740 177.282 175.510 0.053 0.000 1.024 367 N CA 1.441 54.524 53.050 0.054 0.000 0.852 367 N CB -0.419 38.096 38.487 0.046 0.000 1.003 367 N HN 0.511 nan 8.380 nan 0.000 0.424 368 L N 1.334 122.584 121.223 0.046 0.000 2.017 368 L HA -0.143 4.198 4.340 0.001 0.000 0.208 368 L C 2.231 179.142 176.870 0.068 0.000 1.073 368 L CA 1.241 56.112 54.840 0.052 0.000 0.745 368 L CB -0.270 41.808 42.059 0.031 0.000 0.894 368 L HN 0.103 nan 8.230 nan 0.000 0.432 369 K N -0.805 119.622 120.400 0.044 0.000 2.211 369 K HA -0.137 4.184 4.320 0.001 0.000 0.203 369 K C 2.370 179.030 176.600 0.100 0.000 1.050 369 K CA 1.310 57.635 56.287 0.063 0.000 0.945 369 K CB -0.125 32.385 32.500 0.016 0.000 0.732 369 K HN 0.156 nan 8.250 nan 0.000 0.451 370 S N 0.408 116.145 115.700 0.061 0.000 2.368 370 S HA -0.081 4.390 4.470 0.001 0.000 0.224 370 S C 2.093 176.698 174.600 0.009 0.000 1.029 370 S CA 1.354 59.562 58.200 0.014 0.000 0.988 370 S CB -0.312 62.903 63.200 0.025 0.000 0.838 370 S HN 0.448 nan 8.310 nan 0.000 0.462 371 G N -0.614 108.222 108.800 0.060 0.000 2.422 371 G HA2 -0.168 3.793 3.960 0.001 0.000 0.218 371 G HA3 -0.168 3.793 3.960 0.001 0.000 0.218 371 G C 1.273 176.239 174.900 0.110 0.000 1.140 371 G CA 0.860 46.003 45.100 0.071 0.000 0.775 371 G HN 0.609 nan 8.290 nan 0.000 0.545 372 Y N 1.157 121.456 120.300 -0.003 0.000 2.163 372 Y HA -0.004 4.546 4.550 0.001 0.000 0.288 372 Y C 2.564 178.452 175.900 -0.019 0.000 1.136 372 Y CA 1.073 59.173 58.100 0.001 0.000 1.147 372 Y CB -0.226 38.219 38.460 -0.024 0.000 0.987 372 Y HN 0.165 nan 8.280 nan 0.000 0.509 373 I N 0.299 120.850 120.570 -0.031 0.000 2.163 373 I HA -0.375 3.796 4.170 0.001 0.000 0.243 373 I C 2.343 178.393 176.117 -0.112 0.000 1.085 373 I CA 1.785 63.000 61.300 -0.141 0.000 1.347 373 I CB -0.370 37.521 38.000 -0.181 0.000 1.044 373 I HN 0.195 nan 8.210 nan 0.000 0.408 374 K N 0.134 120.482 120.400 -0.087 0.000 2.057 374 K HA -0.095 4.226 4.320 0.001 0.000 0.206 374 K C 2.291 178.912 176.600 0.034 0.000 1.050 374 K CA 1.509 57.818 56.287 0.037 0.000 0.935 374 K CB -0.250 32.275 32.500 0.041 0.000 0.715 374 K HN 0.182 nan 8.250 nan 0.000 0.439 375 S N 1.196 116.887 115.700 -0.015 0.000 2.382 375 S HA -0.083 4.387 4.470 0.001 0.000 0.228 375 S C 1.626 176.184 174.600 -0.069 0.000 1.027 375 S CA 1.034 59.222 58.200 -0.020 0.000 0.991 375 S CB -0.025 63.179 63.200 0.007 0.000 0.823 375 S HN 0.094 nan 8.310 nan 0.000 0.469 376 L N 0.296 121.421 121.223 -0.164 0.000 2.567 376 L HA 0.326 4.667 4.340 0.001 0.000 0.225 376 L C 1.499 178.320 176.870 -0.083 0.000 1.119 376 L CA 0.619 55.355 54.840 -0.173 0.000 0.871 376 L CB -0.850 40.995 42.059 -0.357 0.000 1.036 376 L HN 0.396 nan 8.230 nan 0.000 0.459 377 G N 0.208 109.000 108.800 -0.014 0.000 2.246 377 G HA2 -0.265 3.695 3.960 0.001 0.000 0.273 377 G HA3 -0.265 3.695 3.960 0.001 0.000 0.273 377 G C 0.395 175.321 174.900 0.043 0.000 1.055 377 G CA 0.202 45.331 45.100 0.048 0.000 0.851 377 G HN 0.252 nan 8.290 nan 0.000 0.500 378 L N -0.885 120.359 121.223 0.035 0.000 2.474 378 L HA 0.418 4.759 4.340 0.001 0.000 0.259 378 L C 2.062 178.987 176.870 0.092 0.000 1.232 378 L CA 0.340 55.182 54.840 0.004 0.000 0.821 378 L CB 0.259 42.279 42.059 -0.065 0.000 1.108 378 L HN 0.213 nan 8.230 nan 0.000 0.495 379 G N -0.680 108.133 108.800 0.021 0.000 2.744 379 G HA2 0.381 4.341 3.960 0.001 0.000 0.211 379 G HA3 0.381 4.341 3.960 0.001 0.000 0.211 379 G C 0.574 175.484 174.900 0.017 0.000 1.143 379 G CA 0.686 45.785 45.100 -0.002 0.000 0.788 379 G HN 1.004 nan 8.290 nan 0.000 0.534 380 G N -1.494 107.332 108.800 0.043 0.000 2.278 380 G HA2 0.527 4.488 3.960 0.001 0.000 0.265 380 G HA3 0.527 4.488 3.960 0.001 0.000 0.265 380 G C -1.073 173.727 174.900 -0.166 0.000 1.329 380 G CA -0.207 44.882 45.100 -0.018 0.000 1.017 380 G HN 1.163 nan 8.290 nan 0.000 0.472 381 A N -0.489 122.175 122.820 -0.260 0.000 2.401 381 A HA 0.916 5.236 4.320 0.001 0.000 0.310 381 A C -0.286 176.938 177.584 -0.599 0.000 1.075 381 A CA -0.195 51.531 52.037 -0.518 0.000 0.746 381 A CB 1.924 20.475 19.000 -0.747 0.000 1.277 381 A HN 1.863 nan 8.150 nan 0.000 0.425 382 M N 2.299 121.513 119.600 -0.644 0.000 2.501 382 M HA 0.582 5.063 4.480 0.001 0.000 0.293 382 M C -2.356 173.770 176.300 -0.290 0.000 1.192 382 M CA -0.487 54.647 55.300 -0.276 0.000 0.886 382 M CB 1.644 34.263 32.600 0.031 0.000 1.710 382 M HN 0.798 nan 8.290 nan 0.000 0.457 383 W N 3.178 124.647 121.300 0.282 0.000 3.032 383 W HA 0.435 5.095 4.660 0.001 0.000 0.335 383 W C -1.341 175.430 176.519 0.420 0.000 1.154 383 W CA -0.670 56.861 57.345 0.311 0.000 1.204 383 W CB 1.648 31.210 29.460 0.170 0.000 1.416 383 W HN 0.710 nan 8.180 nan 0.000 0.521 384 W N 4.824 126.382 121.300 0.431 0.000 2.538 384 W HA 0.357 5.017 4.660 0.001 0.000 0.322 384 W C -1.363 175.279 176.519 0.204 0.000 1.028 384 W CA -0.617 56.857 57.345 0.214 0.000 1.228 384 W CB 1.649 31.083 29.460 -0.043 0.000 1.356 384 W HN 0.567 nan 8.180 nan 0.000 0.452 385 D N 0.972 121.303 120.400 -0.115 0.000 2.523 385 D HA 0.309 4.950 4.640 0.001 0.000 0.236 385 D C 0.934 177.060 176.300 -0.291 0.000 1.094 385 D CA -0.427 53.238 54.000 -0.559 0.000 0.942 385 D CB 1.769 41.776 40.800 -1.322 0.000 1.447 385 D HN 0.087 nan 8.370 nan 0.000 0.479 386 S N 0.242 115.778 115.700 -0.273 0.000 2.440 386 S HA -0.266 4.205 4.470 0.001 0.000 0.238 386 S C 1.798 176.111 174.600 -0.478 0.000 1.010 386 S CA 1.349 59.443 58.200 -0.177 0.000 0.972 386 S CB -0.994 62.278 63.200 0.119 0.000 0.774 386 S HN 0.604 nan 8.310 nan 0.000 0.501 387 S N 1.629 116.840 115.700 -0.816 0.000 2.481 387 S HA 0.017 4.488 4.470 0.001 0.000 0.231 387 S C 1.595 175.936 174.600 -0.432 0.000 0.996 387 S CA 0.641 58.172 58.200 -1.114 0.000 0.942 387 S CB -0.622 62.065 63.200 -0.854 0.000 0.768 387 S HN 0.782 nan 8.310 nan 0.000 0.520 388 S N -0.097 115.485 115.700 -0.196 0.000 2.602 388 S HA 0.286 4.757 4.470 0.001 0.000 0.240 388 S C -0.188 174.481 174.600 0.115 0.000 0.992 388 S CA -0.585 57.632 58.200 0.029 0.000 0.971 388 S CB -0.186 63.110 63.200 0.159 0.000 0.855 388 S HN 0.396 nan 8.310 nan 0.000 0.481 389 D N 2.205 122.637 120.400 0.054 0.000 2.348 389 D HA 0.353 4.994 4.640 0.001 0.000 0.249 389 D C -0.055 176.313 176.300 0.113 0.000 1.110 389 D CA -0.252 53.841 54.000 0.156 0.000 0.967 389 D CB 0.944 41.738 40.800 -0.010 0.000 1.139 389 D HN 0.164 nan 8.370 nan 0.000 0.466 390 K N -0.193 120.306 120.400 0.164 0.000 2.098 390 K HA 0.401 4.722 4.320 0.001 0.000 0.244 390 K C 0.160 176.785 176.600 0.043 0.000 1.014 390 K CA -0.618 55.686 56.287 0.028 0.000 0.917 390 K CB 0.858 33.333 32.500 -0.042 0.000 1.072 390 K HN 0.570 nan 8.250 nan 0.000 0.477 391 T N -2.141 112.423 114.554 0.017 0.000 2.936 391 T HA 0.664 5.015 4.350 0.001 0.000 0.282 391 T C 0.641 175.353 174.700 0.019 0.000 1.003 391 T CA -0.134 61.976 62.100 0.017 0.000 1.005 391 T CB 1.431 70.306 68.868 0.013 0.000 1.097 391 T HN 0.843 nan 8.240 nan 0.000 0.532 392 G N 1.064 109.874 108.800 0.016 0.000 2.593 392 G HA2 -0.251 3.710 3.960 0.001 0.000 0.237 392 G HA3 -0.251 3.710 3.960 0.001 0.000 0.237 392 G C 0.962 175.878 174.900 0.027 0.000 1.312 392 G CA 0.800 45.911 45.100 0.018 0.000 0.896 392 G HN 1.904 nan 8.290 nan 0.000 0.574 393 S N -0.786 114.932 115.700 0.029 0.000 2.447 393 S HA -0.014 4.456 4.470 0.001 0.000 0.233 393 S C 1.408 176.044 174.600 0.060 0.000 1.006 393 S CA 1.938 60.160 58.200 0.037 0.000 0.957 393 S CB 0.031 63.250 63.200 0.032 0.000 0.773 393 S HN 0.567 nan 8.310 nan 0.000 0.507 394 D N 1.964 122.409 120.400 0.074 0.000 2.363 394 D HA 0.104 4.745 4.640 0.001 0.000 0.226 394 D C 0.628 177.052 176.300 0.206 0.000 1.020 394 D CA 0.312 54.393 54.000 0.135 0.000 0.892 394 D CB -0.177 40.689 40.800 0.110 0.000 0.900 394 D HN 0.454 nan 8.370 nan 0.000 0.531 395 S N 0.439 116.213 115.700 0.123 0.000 2.525 395 S HA 0.034 4.505 4.470 0.001 0.000 0.285 395 S C 1.548 176.166 174.600 0.030 0.000 1.283 395 S CA -0.447 57.809 58.200 0.094 0.000 1.072 395 S CB 0.396 63.602 63.200 0.010 0.000 0.867 395 S HN 0.114 nan 8.310 nan 0.000 0.492 396 L N 5.420 126.611 121.223 -0.053 0.000 2.156 396 L HA -0.043 4.298 4.340 0.001 0.000 0.208 396 L C 2.175 178.938 176.870 -0.177 0.000 1.095 396 L CA 0.914 55.680 54.840 -0.123 0.000 0.770 396 L CB -0.440 41.478 42.059 -0.235 0.000 0.914 396 L HN 0.725 nan 8.230 nan 0.000 0.439 397 I N -0.239 120.035 120.570 -0.493 0.000 2.179 397 I HA -0.263 3.907 4.170 0.001 0.000 0.242 397 I C 2.522 178.534 176.117 -0.175 0.000 1.088 397 I CA 1.554 62.416 61.300 -0.730 0.000 1.357 397 I CB -0.467 37.007 38.000 -0.877 0.000 1.051 397 I HN 0.236 nan 8.210 nan 0.000 0.409 398 T N -0.042 114.454 114.554 -0.097 0.000 2.746 398 T HA -0.167 4.184 4.350 0.001 0.000 0.267 398 T C 1.899 176.625 174.700 0.044 0.000 1.039 398 T CA 1.989 64.089 62.100 0.001 0.000 1.142 398 T CB -0.374 68.495 68.868 0.002 0.000 0.866 398 T HN 0.357 nan 8.240 nan 0.000 0.444 399 T N 1.873 116.454 114.554 0.044 0.000 2.684 399 T HA -0.097 4.253 4.350 0.001 0.000 0.267 399 T C 2.177 176.940 174.700 0.105 0.000 1.036 399 T CA 1.137 63.279 62.100 0.069 0.000 1.148 399 T CB -0.566 68.343 68.868 0.068 0.000 0.863 399 T HN 0.147 nan 8.240 nan 0.000 0.436 400 V N 1.077 121.093 119.914 0.171 0.000 2.295 400 V HA -0.138 3.983 4.120 0.001 0.000 0.246 400 V C 2.668 178.887 176.094 0.208 0.000 1.049 400 V CA 1.292 63.733 62.300 0.235 0.000 1.024 400 V CB -0.696 31.419 31.823 0.486 0.000 0.648 400 V HN 0.303 nan 8.190 nan 0.000 0.447 401 V N 0.724 120.786 119.914 0.248 0.000 2.332 401 V HA -0.257 3.863 4.120 0.001 0.000 0.248 401 V C 2.354 178.513 176.094 0.107 0.000 1.055 401 V CA 2.188 64.636 62.300 0.246 0.000 1.038 401 V CB -0.864 31.130 31.823 0.285 0.000 0.651 401 V HN 0.569 nan 8.190 nan 0.000 0.450 402 N N 0.619 119.363 118.700 0.074 0.000 2.120 402 N HA -0.104 4.637 4.740 0.001 0.000 0.188 402 N C 1.862 177.395 175.510 0.038 0.000 1.024 402 N CA 1.699 54.771 53.050 0.036 0.000 0.852 402 N CB -0.570 37.937 38.487 0.033 0.000 1.003 402 N HN 0.487 nan 8.380 nan 0.000 0.424 403 A N 0.800 123.650 122.820 0.051 0.000 2.015 403 A HA 0.001 4.322 4.320 0.001 0.000 0.219 403 A C 2.205 179.802 177.584 0.021 0.000 1.163 403 A CA 0.748 52.808 52.037 0.039 0.000 0.646 403 A CB -0.551 18.477 19.000 0.046 0.000 0.806 403 A HN 0.231 nan 8.150 nan 0.000 0.448 404 L N -1.796 119.436 121.223 0.014 0.000 2.478 404 L HA 0.123 4.463 4.340 0.001 0.000 0.223 404 L C 1.674 178.582 176.870 0.063 0.000 1.140 404 L CA 0.762 55.580 54.840 -0.037 0.000 0.842 404 L CB -0.060 41.940 42.059 -0.099 0.000 0.953 404 L HN 0.601 nan 8.230 nan 0.000 0.452 405 G N -1.123 107.707 108.800 0.049 0.000 2.198 405 G HA2 0.080 4.040 3.960 0.001 0.000 0.156 405 G HA3 0.080 4.040 3.960 0.001 0.000 0.156 405 G C 0.494 175.387 174.900 -0.011 0.000 1.012 405 G CA -0.330 44.796 45.100 0.043 0.000 0.692 405 G HN 0.710 nan 8.290 nan 0.000 0.492 406 G N -1.356 107.414 108.800 -0.050 0.000 2.756 406 G HA2 0.276 4.236 3.960 0.001 0.000 0.678 406 G HA3 0.276 4.236 3.960 0.001 0.000 0.678 406 G C 1.034 175.700 174.900 -0.390 0.000 1.349 406 G CA 0.875 45.884 45.100 -0.152 0.000 0.847 406 G HN 1.838 nan 8.290 nan 0.000 0.548 407 T N -2.035 112.186 114.554 -0.555 0.000 2.929 407 T HA 0.089 4.440 4.350 0.001 0.000 0.271 407 T C 2.558 176.889 174.700 -0.616 0.000 1.085 407 T CA 2.019 63.483 62.100 -1.059 0.000 1.125 407 T CB -0.424 68.090 68.868 -0.589 0.000 0.874 407 T HN 2.018 nan 8.240 nan 0.000 0.494 408 G N 1.635 110.262 108.800 -0.289 0.000 2.448 408 G HA2 -0.102 3.859 3.960 0.001 0.000 0.219 408 G HA3 -0.102 3.859 3.960 0.001 0.000 0.219 408 G C 1.538 176.405 174.900 -0.055 0.000 1.127 408 G CA 1.019 46.044 45.100 -0.126 0.000 0.766 408 G HN 0.804 nan 8.290 nan 0.000 0.552 409 V N -2.961 116.930 119.914 -0.038 0.000 3.623 409 V HA 0.398 4.518 4.120 0.001 0.000 0.271 409 V C 0.592 176.848 176.094 0.271 0.000 1.248 409 V CA -0.969 61.399 62.300 0.114 0.000 1.156 409 V CB -0.995 30.968 31.823 0.234 0.000 0.870 409 V HN -0.025 nan 8.190 nan 0.000 0.453 410 F N 2.333 122.342 119.950 0.098 0.000 2.506 410 F HA 0.335 4.862 4.527 0.001 0.000 0.351 410 F C 1.015 176.838 175.800 0.039 0.000 1.136 410 F CA -1.321 56.736 58.000 0.094 0.000 1.298 410 F CB 0.271 39.321 39.000 0.085 0.000 1.145 410 F HN 0.312 nan 8.300 nan 0.000 0.593 411 E N 2.579 122.903 120.200 0.206 0.000 2.414 411 E HA -0.020 4.331 4.350 0.001 0.000 0.263 411 E C -0.883 175.784 176.600 0.111 0.000 1.000 411 E CA -0.401 56.056 56.400 0.095 0.000 0.914 411 E CB 0.496 30.226 29.700 0.050 0.000 0.948 411 E HN 0.385 nan 8.360 nan 0.000 0.444 412 Q N 2.303 122.150 119.800 0.078 0.000 2.307 412 Q HA 0.353 4.694 4.340 0.001 0.000 0.262 412 Q C -1.189 174.839 176.000 0.046 0.000 0.961 412 Q CA -0.455 55.388 55.803 0.066 0.000 0.882 412 Q CB 1.942 30.712 28.738 0.053 0.000 1.264 412 Q HN 0.434 nan 8.270 nan 0.000 0.446 413 S N 2.646 118.367 115.700 0.036 0.000 2.616 413 S HA 0.158 4.628 4.470 0.001 0.000 0.276 413 S C -1.089 173.520 174.600 0.015 0.000 1.159 413 S CA -0.605 57.616 58.200 0.034 0.000 1.000 413 S CB 0.766 64.005 63.200 0.065 0.000 1.117 413 S HN 0.413 nan 8.310 nan 0.000 0.464 414 Q N 3.311 123.117 119.800 0.009 0.000 2.330 414 Q HA 0.116 4.457 4.340 0.001 0.000 0.279 414 Q C 0.572 176.574 176.000 0.004 0.000 1.024 414 Q CA 0.271 56.074 55.803 -0.001 0.000 0.900 414 Q CB 0.351 29.086 28.738 -0.006 0.000 1.221 414 Q HN 0.841 nan 8.270 nan 0.000 0.396 415 N N 0.831 119.532 118.700 0.002 0.000 2.366 415 N HA 0.104 4.845 4.740 0.001 0.000 0.277 415 N C -0.566 174.978 175.510 0.055 0.000 1.275 415 N CA -0.454 52.617 53.050 0.036 0.000 0.964 415 N CB 0.501 38.999 38.487 0.019 0.000 1.167 415 N HN 0.384 nan 8.380 nan 0.000 0.568 416 E N -1.048 119.238 120.200 0.144 0.000 2.151 416 E HA 0.339 4.690 4.350 0.001 0.000 0.275 416 E C -0.449 176.283 176.600 0.221 0.000 0.936 416 E CA -0.347 56.141 56.400 0.146 0.000 0.777 416 E CB 0.720 30.577 29.700 0.262 0.000 1.108 416 E HN 0.652 nan 8.360 nan 0.000 0.401 417 L N 2.407 123.708 121.223 0.130 0.000 2.672 417 L HA 0.337 4.678 4.340 0.001 0.000 0.236 417 L C 0.136 177.210 176.870 0.339 0.000 1.092 417 L CA -0.094 54.894 54.840 0.247 0.000 0.887 417 L CB 0.469 42.582 42.059 0.090 0.000 1.168 417 L HN 0.509 nan 8.230 nan 0.000 0.502 418 D N -0.295 120.124 120.400 0.032 0.000 2.280 418 D HA 0.193 4.834 4.640 0.001 0.000 0.243 418 D C -1.203 174.903 176.300 -0.322 0.000 1.129 418 D CA -0.035 53.951 54.000 -0.023 0.000 0.848 418 D CB 0.558 41.334 40.800 -0.040 0.000 1.107 418 D HN -0.071 nan 8.370 nan 0.000 0.471 419 Y N 4.735 125.110 120.300 0.125 0.000 2.662 419 Y HA 0.251 4.802 4.550 0.001 0.000 0.358 419 Y C -1.589 174.356 175.900 0.074 0.000 1.041 419 Y CA -1.512 56.663 58.100 0.126 0.000 1.184 419 Y CB 1.688 40.188 38.460 0.067 0.000 1.114 419 Y HN 0.405 nan 8.280 nan 0.000 0.650 420 P HA -0.133 nan 4.420 nan 0.000 0.222 420 P C 0.829 178.175 177.300 0.077 0.000 1.147 420 P CA 1.294 64.438 63.100 0.073 0.000 0.790 420 P CB 0.429 32.147 31.700 0.029 0.000 0.780 421 V N -3.719 116.269 119.914 0.124 0.000 3.271 421 V HA 0.280 4.401 4.120 0.001 0.000 0.327 421 V C 0.874 177.011 176.094 0.071 0.000 1.389 421 V CA -0.539 61.819 62.300 0.098 0.000 1.156 421 V CB -0.808 31.095 31.823 0.135 0.000 1.103 421 V HN -0.013 nan 8.190 nan 0.000 0.453 422 S N 1.766 117.513 115.700 0.077 0.000 2.533 422 S HA 0.116 4.587 4.470 0.001 0.000 0.282 422 S C 1.380 175.925 174.600 -0.091 0.000 1.304 422 S CA 0.363 58.569 58.200 0.011 0.000 1.063 422 S CB 1.179 64.403 63.200 0.041 0.000 0.881 422 S HN 0.814 nan 8.310 nan 0.000 0.493 423 Q N 3.427 123.082 119.800 -0.242 0.000 2.364 423 Q HA -0.049 4.291 4.340 0.001 0.000 0.207 423 Q C -0.688 175.037 176.000 -0.458 0.000 0.970 423 Q CA 1.081 56.659 55.803 -0.375 0.000 0.888 423 Q CB -0.290 28.134 28.738 -0.525 0.000 0.951 423 Q HN 0.745 nan 8.270 nan 0.000 0.469 424 Y N 2.180 122.425 120.300 -0.092 0.000 2.383 424 Y HA 0.153 4.703 4.550 0.001 0.000 0.344 424 Y C 0.718 176.546 175.900 -0.121 0.000 0.986 424 Y CA -1.072 56.955 58.100 -0.123 0.000 1.175 424 Y CB 0.909 39.254 38.460 -0.191 0.000 1.152 424 Y HN 0.045 nan 8.280 nan 0.000 0.511 425 D N 1.943 122.365 120.400 0.036 0.000 2.104 425 D HA -0.223 4.418 4.640 0.001 0.000 0.194 425 D C 1.551 177.833 176.300 -0.030 0.000 0.994 425 D CA 1.846 55.846 54.000 0.000 0.000 0.830 425 D CB 0.065 40.873 40.800 0.013 0.000 0.959 425 D HN 0.668 nan 8.370 nan 0.000 0.452 426 N N 1.733 120.398 118.700 -0.058 0.000 2.120 426 N HA -0.170 4.570 4.740 0.001 0.000 0.188 426 N C 2.111 177.499 175.510 -0.202 0.000 1.024 426 N CA 0.761 53.738 53.050 -0.122 0.000 0.852 426 N CB -1.050 37.328 38.487 -0.182 0.000 1.003 426 N HN 0.279 nan 8.380 nan 0.000 0.424 427 L N 0.184 121.249 121.223 -0.263 0.000 2.072 427 L HA 0.067 4.407 4.340 0.001 0.000 0.205 427 L C 2.902 179.606 176.870 -0.276 0.000 1.079 427 L CA 0.805 55.372 54.840 -0.455 0.000 0.752 427 L CB -0.212 41.556 42.059 -0.485 0.000 0.906 427 L HN 0.105 nan 8.230 nan 0.000 0.436 428 R N 0.090 120.526 120.500 -0.107 0.000 2.127 428 R HA -0.174 4.167 4.340 0.001 0.000 0.238 428 R C 1.224 177.519 176.300 -0.008 0.000 1.134 428 R CA 1.977 58.069 56.100 -0.013 0.000 0.975 428 R CB -0.295 30.007 30.300 0.003 0.000 0.865 428 R HN 0.538 nan 8.270 nan 0.000 0.447 429 N N -0.914 117.762 118.700 -0.039 0.000 2.314 429 N HA 0.087 4.828 4.740 0.001 0.000 0.200 429 N C 0.166 175.675 175.510 -0.003 0.000 1.135 429 N CA 0.327 53.369 53.050 -0.013 0.000 0.835 429 N CB 0.955 39.434 38.487 -0.014 0.000 0.989 429 N HN 0.407 nan 8.380 nan 0.000 0.478 430 G N 1.338 110.127 108.800 -0.017 0.000 2.136 430 G HA2 -0.333 3.627 3.960 0.001 0.000 0.242 430 G HA3 -0.333 3.627 3.960 0.001 0.000 0.242 430 G C 0.337 175.296 174.900 0.099 0.000 0.989 430 G CA 0.111 45.267 45.100 0.093 0.000 0.682 430 G HN 0.319 nan 8.290 nan 0.000 0.522 431 M N -0.640 118.912 119.600 -0.080 0.000 2.917 431 M HA -0.141 4.340 4.480 0.001 0.000 0.176 431 M C 0.675 176.985 176.300 0.016 0.000 1.181 431 M CA 0.520 55.787 55.300 -0.055 0.000 0.723 431 M CB -1.002 31.604 32.600 0.010 0.000 1.207 431 M HN 0.570 nan 8.290 nan 0.000 0.761 432 Q N 0.000 119.800 119.800 -0.000 0.000 2.315 432 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 432 Q CA 0.000 55.808 55.803 0.009 0.000 1.022 432 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 432 Q HN 0.000 nan 8.270 nan 0.000 0.481