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 1t1f_1_A DATA FIRST_RESID 2 DATA SEQUENCE GSPVDIcTAK PRDIPMNPMc IYRXXXXXXX XXXXXEQKIP EATNRRVWEL DATA SEQUENCE SKANSRFATT FYQHLADSKN DNDNIFLSPL SISTAFAMTK LGAcNDTLQQ DATA SEQUENCE LMEVFKFDTI SEKTSDQIHF FFAKLNcRLY RKANKASKLV SANRLFGDKS DATA SEQUENCE LTFNETYQDI SELVYGAKLQ PLDFKENAEQ SRAAINKWVS NKTEGRITDV DATA SEQUENCE IPSEAINELT VLVLVNTIYF KGLWKSKFSP ENTRKELFYK ADGEScSASM DATA SEQUENCE MYQEGKFRYR RVAEGTQVLE LPFKGDDITM VLILPKPEKS LAKVEKELTP DATA SEQUENCE EVLQEWLDEL EEMMLcVHMP RFRIEDGFSL KEQLQDMGLV DLFSPEKSKL DATA SEQUENCE PGIVAEGRDD LYVSDAFHKA FLEVNEEGSE AAASTAVVIA GRSLNPNRVc DATA SEQUENCE FKANRPFLVF IREVPLNTII FMGRVANPcV K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 2 G C 0.000 174.904 174.900 0.006 0.000 0.946 2 G CA 0.000 45.105 45.100 0.008 0.000 0.502 3 S N 0.269 115.972 115.700 0.005 0.000 2.541 3 S HA 0.334 4.805 4.470 0.001 0.000 0.219 3 S C -0.580 174.022 174.600 0.003 0.000 1.025 3 S CA 0.902 59.104 58.200 0.003 0.000 0.917 3 S CB -0.731 62.470 63.200 0.002 0.000 0.859 3 S HN 0.807 nan 8.310 nan 0.000 0.584 4 P HA 0.415 nan 4.420 nan 0.000 0.297 4 P C -0.718 176.588 177.300 0.009 0.000 1.303 4 P CA -0.269 62.834 63.100 0.004 0.000 0.753 4 P CB 0.383 32.084 31.700 0.001 0.000 1.281 5 V N 0.049 119.970 119.914 0.013 0.000 2.612 5 V HA 0.168 4.289 4.120 0.001 0.000 0.301 5 V C 0.063 176.172 176.094 0.026 0.000 1.046 5 V CA -0.762 61.550 62.300 0.020 0.000 0.946 5 V CB 1.070 32.908 31.823 0.024 0.000 1.003 5 V HN 0.671 nan 8.190 nan 0.000 0.459 6 D N 4.613 125.029 120.400 0.026 0.000 2.426 6 D HA -0.078 4.563 4.640 0.001 0.000 0.261 6 D C 1.211 177.535 176.300 0.039 0.000 1.245 6 D CA 0.488 54.505 54.000 0.028 0.000 0.917 6 D CB 0.773 41.589 40.800 0.027 0.000 1.123 6 D HN 0.703 nan 8.370 nan 0.000 0.508 7 I N 3.919 124.512 120.570 0.038 0.000 2.248 7 I HA -0.375 3.795 4.170 0.001 0.000 0.248 7 I C 2.168 178.313 176.117 0.046 0.000 1.107 7 I CA 1.159 62.494 61.300 0.058 0.000 1.373 7 I CB 0.147 38.167 38.000 0.035 0.000 1.055 7 I HN 0.542 nan 8.210 nan 0.000 0.418 8 c N 0.555 119.167 118.600 0.020 0.000 2.376 8 c HA -0.246 4.325 4.570 0.001 0.000 0.275 8 c C 2.955 177.057 174.090 0.020 0.000 1.200 8 c CA 1.895 58.227 56.329 0.004 0.000 1.756 8 c CB -1.823 40.695 42.510 0.013 0.000 2.050 8 c HN 0.686 nan 8.230 nan 0.000 0.460 9 T N 0.149 114.726 114.554 0.037 0.000 2.857 9 T HA 0.174 4.524 4.350 0.001 0.000 0.266 9 T C 0.940 175.687 174.700 0.078 0.000 1.048 9 T CA 0.874 63.003 62.100 0.047 0.000 1.139 9 T CB -0.463 68.428 68.868 0.039 0.000 0.874 9 T HN 0.616 nan 8.240 nan 0.000 0.455 10 A N 1.963 124.842 122.820 0.098 0.000 2.520 10 A HA 0.406 4.726 4.320 0.001 0.000 0.235 10 A C 0.419 178.158 177.584 0.258 0.000 1.065 10 A CA -0.150 51.970 52.037 0.140 0.000 0.764 10 A CB 0.130 19.209 19.000 0.132 0.000 1.002 10 A HN 0.579 nan 8.150 nan 0.000 0.502 11 K N 2.028 122.567 120.400 0.232 0.000 2.288 11 K HA 0.406 4.727 4.320 0.001 0.000 0.234 11 K C -1.774 174.847 176.600 0.035 0.000 1.037 11 K CA -1.695 54.792 56.287 0.333 0.000 0.914 11 K CB 0.768 33.372 32.500 0.173 0.000 1.197 11 K HN 0.442 nan 8.250 nan 0.000 0.471 12 P HA -0.176 nan 4.420 nan 0.000 0.218 12 P C 0.562 177.646 177.300 -0.361 0.000 1.149 12 P CA 1.314 63.910 63.100 -0.840 0.000 0.817 12 P CB 0.012 31.328 31.700 -0.640 0.000 0.785 13 R N 0.285 120.688 120.500 -0.161 0.000 4.980 13 R HA 0.444 4.785 4.340 0.001 0.000 0.190 13 R C 0.518 176.773 176.300 -0.075 0.000 2.095 13 R CA 1.063 57.108 56.100 -0.092 0.000 1.717 13 R CB -1.924 28.354 30.300 -0.037 0.000 1.337 13 R HN 0.548 nan 8.270 nan 0.000 0.820 14 D N -1.130 119.202 120.400 -0.113 0.000 2.972 14 D HA 0.448 5.088 4.640 0.001 0.000 0.294 14 D C -0.047 176.193 176.300 -0.100 0.000 1.211 14 D CA -0.281 53.676 54.000 -0.071 0.000 0.732 14 D CB -0.283 40.503 40.800 -0.023 0.000 1.257 14 D HN 0.915 nan 8.370 nan 0.000 0.435 15 I N -0.510 120.026 120.570 -0.058 0.000 7.627 15 I HA -0.120 4.051 4.170 0.001 0.000 0.126 15 I C -1.944 174.118 176.117 -0.092 0.000 1.803 15 I CA 0.168 61.436 61.300 -0.054 0.000 2.130 15 I CB -1.219 36.769 38.000 -0.019 0.000 3.611 15 I HN 0.567 nan 8.210 nan 0.000 0.197 16 P HA 0.063 nan 4.420 nan 0.000 0.259 16 P C -0.335 176.917 177.300 -0.079 0.000 1.211 16 P CA 0.385 63.437 63.100 -0.081 0.000 0.810 16 P CB 0.826 32.492 31.700 -0.058 0.000 0.815 17 M N 5.079 124.620 119.600 -0.099 0.000 2.044 17 M HA 0.200 4.680 4.480 0.001 0.000 0.333 17 M C -0.100 176.161 176.300 -0.065 0.000 1.004 17 M CA -0.382 54.870 55.300 -0.080 0.000 0.954 17 M CB 0.522 33.073 32.600 -0.081 0.000 1.468 17 M HN 0.283 nan 8.290 nan 0.000 0.414 18 N N 5.789 124.457 118.700 -0.053 0.000 2.518 18 N HA 0.515 5.255 4.740 0.001 0.000 0.254 18 N C -2.802 172.686 175.510 -0.037 0.000 0.979 18 N CA -1.435 51.587 53.050 -0.047 0.000 0.930 18 N CB 1.079 39.540 38.487 -0.044 0.000 1.152 18 N HN 0.349 nan 8.380 nan 0.000 0.505 19 P HA 0.070 nan 4.420 nan 0.000 0.287 19 P C 0.694 177.963 177.300 -0.053 0.000 1.307 19 P CA -0.467 62.618 63.100 -0.025 0.000 0.777 19 P CB 1.735 33.434 31.700 -0.001 0.000 0.883 20 M N 2.094 121.680 119.600 -0.024 0.000 2.327 20 M HA -0.148 4.332 4.480 0.001 0.000 0.258 20 M C -0.394 175.877 176.300 -0.049 0.000 1.079 20 M CA 1.657 56.943 55.300 -0.024 0.000 1.056 20 M CB -0.019 32.583 32.600 0.004 0.000 1.387 20 M HN 0.271 nan 8.290 nan 0.000 0.423 21 c N 0.344 118.896 118.600 -0.080 0.000 2.481 21 c HA 0.557 5.127 4.570 0.001 0.000 0.324 21 c C 0.024 173.922 174.090 -0.320 0.000 1.170 21 c CA -1.483 54.770 56.329 -0.127 0.000 1.361 21 c CB 0.890 43.366 42.510 -0.057 0.000 1.977 21 c HN 0.271 nan 8.230 nan 0.000 0.459 22 I N 2.323 122.686 120.570 -0.345 0.000 2.783 22 I HA 0.339 4.509 4.170 0.001 0.000 0.312 22 I C -0.149 175.676 176.117 -0.486 0.000 0.988 22 I CA -0.487 60.459 61.300 -0.589 0.000 1.182 22 I CB 1.171 39.000 38.000 -0.285 0.000 1.368 22 I HN 0.739 nan 8.210 nan 0.000 0.511 23 Y N 1.014 121.329 120.300 0.025 0.000 2.707 23 Y HA 0.505 5.056 4.550 0.001 0.000 0.249 23 Y C 0.735 176.655 175.900 0.034 0.000 1.166 23 Y CA -0.799 57.322 58.100 0.034 0.000 1.184 23 Y CB -1.302 37.184 38.460 0.044 0.000 1.240 23 Y HN 0.503 nan 8.280 nan 0.000 0.547 38 Q N -0.384 119.430 119.800 0.023 0.000 2.434 38 Q HA 0.132 4.472 4.340 0.001 0.000 0.288 38 Q C 0.523 176.545 176.000 0.038 0.000 1.372 38 Q CA 1.784 57.619 55.803 0.054 0.000 0.731 38 Q CB -3.236 25.564 28.738 0.104 0.000 1.126 38 Q HN 1.719 nan 8.270 nan 0.000 0.398 39 K N -0.337 120.054 120.400 -0.015 0.000 4.834 39 K HA 0.109 4.429 4.320 0.001 0.000 0.294 39 K C 0.226 176.726 176.600 -0.167 0.000 0.659 39 K CA 1.584 57.828 56.287 -0.071 0.000 0.760 39 K CB -1.700 30.773 32.500 -0.045 0.000 2.111 39 K HN 1.558 nan 8.250 nan 0.000 0.355 40 I N 2.685 123.073 120.570 -0.303 0.000 2.353 40 I HA 0.279 4.450 4.170 0.001 0.000 0.293 40 I C -1.743 174.042 176.117 -0.555 0.000 0.992 40 I CA -2.492 58.385 61.300 -0.705 0.000 1.268 40 I CB 1.564 39.115 38.000 -0.748 0.000 1.387 40 I HN 0.366 nan 8.210 nan 0.000 0.478 41 P HA 0.036 nan 4.420 nan 0.000 0.266 41 P C -0.441 176.688 177.300 -0.286 0.000 1.193 41 P CA -0.130 62.748 63.100 -0.370 0.000 0.770 41 P CB 0.408 31.903 31.700 -0.342 0.000 0.836 42 E N 1.625 121.715 120.200 -0.183 0.000 2.438 42 E HA 0.233 4.584 4.350 0.001 0.000 0.261 42 E C 0.254 176.778 176.600 -0.127 0.000 1.103 42 E CA 0.329 56.647 56.400 -0.138 0.000 0.959 42 E CB 0.056 29.699 29.700 -0.095 0.000 0.958 42 E HN 0.577 nan 8.360 nan 0.000 0.447 43 A N 1.739 124.498 122.820 -0.102 0.000 2.648 43 A HA -0.162 4.158 4.320 0.001 0.000 0.297 43 A C -0.215 177.313 177.584 -0.094 0.000 1.467 43 A CA 1.089 53.077 52.037 -0.080 0.000 0.731 43 A CB -1.939 17.025 19.000 -0.061 0.000 1.085 43 A HN 0.420 nan 8.150 nan 0.000 0.437 44 T N 1.107 115.590 114.554 -0.117 0.000 2.933 44 T HA 0.424 4.775 4.350 0.001 0.000 0.305 44 T C -0.311 174.331 174.700 -0.095 0.000 1.092 44 T CA -0.606 61.421 62.100 -0.122 0.000 1.008 44 T CB 1.237 69.959 68.868 -0.244 0.000 1.102 44 T HN 0.563 nan 8.240 nan 0.000 0.469 45 N N 2.015 120.682 118.700 -0.056 0.000 2.401 45 N HA 0.117 4.858 4.740 0.001 0.000 0.255 45 N C 1.299 176.773 175.510 -0.060 0.000 1.110 45 N CA -0.115 52.898 53.050 -0.062 0.000 0.949 45 N CB 0.642 39.088 38.487 -0.068 0.000 1.110 45 N HN 0.504 nan 8.380 nan 0.000 0.490 46 R N 2.734 123.188 120.500 -0.077 0.000 2.112 46 R HA -0.270 4.070 4.340 0.001 0.000 0.242 46 R C 2.355 178.598 176.300 -0.094 0.000 1.137 46 R CA 2.692 58.762 56.100 -0.049 0.000 0.944 46 R CB -0.338 29.930 30.300 -0.054 0.000 0.857 46 R HN 0.597 nan 8.270 nan 0.000 0.435 47 R N 0.841 121.149 120.500 -0.319 0.000 2.080 47 R HA -0.097 4.244 4.340 0.001 0.000 0.236 47 R C 2.369 178.286 176.300 -0.640 0.000 1.137 47 R CA 2.028 57.654 56.100 -0.789 0.000 0.943 47 R CB -1.681 27.532 30.300 -1.812 0.000 0.846 47 R HN 0.130 nan 8.270 nan 0.000 0.431 48 V N -0.358 119.302 119.914 -0.424 0.000 2.287 48 V HA -0.297 3.824 4.120 0.001 0.000 0.248 48 V C 2.313 178.339 176.094 -0.114 0.000 1.053 48 V CA 1.911 64.073 62.300 -0.231 0.000 1.027 48 V CB -0.782 30.963 31.823 -0.131 0.000 0.646 48 V HN 0.802 nan 8.190 nan 0.000 0.447 49 W N 1.204 122.383 121.300 -0.202 0.000 2.318 49 W HA -0.234 4.427 4.660 0.001 0.000 0.313 49 W C 2.249 178.693 176.519 -0.125 0.000 1.221 49 W CA 2.349 59.609 57.345 -0.142 0.000 1.266 49 W CB -0.213 29.175 29.460 -0.120 0.000 1.150 49 W HN 0.369 nan 8.180 nan 0.000 0.496 50 E N 0.342 120.477 120.200 -0.109 0.000 2.031 50 E HA -0.274 4.077 4.350 0.001 0.000 0.193 50 E C 2.173 178.659 176.600 -0.189 0.000 0.994 50 E CA 1.614 57.907 56.400 -0.178 0.000 0.800 50 E CB -0.676 28.998 29.700 -0.043 0.000 0.752 50 E HN 0.171 nan 8.360 nan 0.000 0.447 51 L N 1.406 122.543 121.223 -0.143 0.000 2.021 51 L HA -0.270 4.071 4.340 0.001 0.000 0.215 51 L C 2.400 179.174 176.870 -0.160 0.000 1.074 51 L CA 2.563 57.345 54.840 -0.097 0.000 0.760 51 L CB -0.892 41.076 42.059 -0.150 0.000 0.889 51 L HN 0.119 nan 8.230 nan 0.000 0.433 52 S N -1.051 114.498 115.700 -0.252 0.000 2.356 52 S HA -0.286 4.184 4.470 0.001 0.000 0.223 52 S C 2.119 176.539 174.600 -0.300 0.000 1.032 52 S CA 1.261 59.299 58.200 -0.271 0.000 1.005 52 S CB -0.707 62.310 63.200 -0.305 0.000 0.867 52 S HN 0.449 nan 8.310 nan 0.000 0.449 53 K N 2.049 122.179 120.400 -0.449 0.000 2.218 53 K HA 0.011 4.331 4.320 0.001 0.000 0.205 53 K C 2.050 178.525 176.600 -0.208 0.000 1.046 53 K CA 1.290 57.330 56.287 -0.412 0.000 0.933 53 K CB -0.867 31.350 32.500 -0.471 0.000 0.728 53 K HN 0.528 nan 8.250 nan 0.000 0.454 54 A N 0.663 123.401 122.820 -0.137 0.000 1.872 54 A HA -0.123 4.198 4.320 0.001 0.000 0.214 54 A C 1.796 179.351 177.584 -0.048 0.000 1.187 54 A CA 1.531 53.529 52.037 -0.066 0.000 0.614 54 A CB -0.543 18.482 19.000 0.041 0.000 0.826 54 A HN 0.344 nan 8.150 nan 0.000 0.442 55 N N 0.632 119.326 118.700 -0.010 0.000 2.120 55 N HA -0.099 4.641 4.740 0.001 0.000 0.188 55 N C 1.824 177.381 175.510 0.079 0.000 1.024 55 N CA 1.614 54.716 53.050 0.087 0.000 0.852 55 N CB -0.560 37.981 38.487 0.089 0.000 1.003 55 N HN 0.389 nan 8.380 nan 0.000 0.424 56 S N 0.733 116.419 115.700 -0.023 0.000 2.442 56 S HA 0.013 4.483 4.470 0.001 0.000 0.236 56 S C 1.850 176.431 174.600 -0.032 0.000 1.007 56 S CA 0.643 58.820 58.200 -0.040 0.000 0.965 56 S CB 0.149 63.280 63.200 -0.116 0.000 0.773 56 S HN 0.344 nan 8.310 nan 0.000 0.504 57 R N -0.045 120.439 120.500 -0.027 0.000 2.055 57 R HA 0.051 4.391 4.340 0.001 0.000 0.226 57 R C 2.058 178.362 176.300 0.008 0.000 1.135 57 R CA 1.175 57.260 56.100 -0.026 0.000 0.959 57 R CB -0.588 29.689 30.300 -0.039 0.000 0.854 57 R HN 0.446 nan 8.270 nan 0.000 0.431 58 F N 2.252 122.152 119.950 -0.084 0.000 2.154 58 F HA -0.235 4.293 4.527 0.001 0.000 0.301 58 F C 2.056 177.863 175.800 0.012 0.000 1.087 58 F CA 1.081 59.032 58.000 -0.082 0.000 1.274 58 F CB -0.562 38.394 39.000 -0.072 0.000 1.009 58 F HN 0.019 nan 8.300 nan 0.000 0.485 59 A N 0.551 123.276 122.820 -0.158 0.000 1.836 59 A HA -0.307 4.014 4.320 0.001 0.000 0.215 59 A C 2.383 179.907 177.584 -0.100 0.000 1.214 59 A CA 3.490 55.426 52.037 -0.170 0.000 0.636 59 A CB -1.797 17.206 19.000 0.005 0.000 0.847 59 A HN 0.560 nan 8.150 nan 0.000 0.451 60 T N -2.778 111.774 114.554 -0.004 0.000 2.685 60 T HA -0.220 4.131 4.350 0.001 0.000 0.268 60 T C 1.779 176.498 174.700 0.032 0.000 1.034 60 T CA 2.451 64.587 62.100 0.059 0.000 1.149 60 T CB -1.423 67.467 68.868 0.037 0.000 0.860 60 T HN 0.412 nan 8.240 nan 0.000 0.449 61 T N 1.407 115.930 114.554 -0.051 0.000 2.555 61 T HA -0.072 4.278 4.350 0.001 0.000 0.264 61 T C 1.321 175.959 174.700 -0.103 0.000 1.083 61 T CA 1.713 63.773 62.100 -0.067 0.000 1.179 61 T CB -0.846 67.975 68.868 -0.078 0.000 0.863 61 T HN 0.438 nan 8.240 nan 0.000 0.412 62 F N 0.516 120.207 119.950 -0.431 0.000 2.154 62 F HA -0.202 4.325 4.527 0.001 0.000 0.301 62 F C 2.176 177.820 175.800 -0.260 0.000 1.087 62 F CA 1.400 59.106 58.000 -0.490 0.000 1.274 62 F CB -0.450 37.913 39.000 -1.062 0.000 1.009 62 F HN 0.254 nan 8.300 nan 0.000 0.485 63 Y N 1.151 121.372 120.300 -0.132 0.000 2.114 63 Y HA -0.283 4.267 4.550 0.001 0.000 0.284 63 Y C 2.518 178.338 175.900 -0.134 0.000 1.143 63 Y CA 2.299 60.335 58.100 -0.106 0.000 1.135 63 Y CB -0.877 37.549 38.460 -0.056 0.000 0.980 63 Y HN 0.184 nan 8.280 nan 0.000 0.499 64 Q N -1.053 118.701 119.800 -0.078 0.000 2.061 64 Q HA -0.299 4.041 4.340 0.001 0.000 0.204 64 Q C 2.311 178.178 176.000 -0.222 0.000 0.984 64 Q CA 1.730 57.456 55.803 -0.129 0.000 0.846 64 Q CB -0.570 28.169 28.738 0.001 0.000 0.902 64 Q HN 0.595 nan 8.270 nan 0.000 0.421 65 H N 0.803 119.686 119.070 -0.312 0.000 2.352 65 H HA -0.150 4.406 4.556 0.001 0.000 0.299 65 H C 2.056 177.154 175.328 -0.382 0.000 1.097 65 H CA 1.604 57.458 56.048 -0.322 0.000 1.311 65 H CB -0.035 29.515 29.762 -0.352 0.000 1.377 65 H HN 0.241 nan 8.280 nan 0.000 0.504 66 L N 1.055 122.088 121.223 -0.317 0.000 2.056 66 L HA 0.025 4.365 4.340 0.001 0.000 0.207 66 L C 2.655 179.365 176.870 -0.267 0.000 1.078 66 L CA 2.128 56.792 54.840 -0.294 0.000 0.749 66 L CB -1.252 40.554 42.059 -0.421 0.000 0.901 66 L HN 0.239 nan 8.230 nan 0.000 0.433 67 A N -0.650 121.911 122.820 -0.432 0.000 1.978 67 A HA -0.228 4.092 4.320 0.001 0.000 0.220 67 A C 1.996 179.449 177.584 -0.218 0.000 1.170 67 A CA 1.916 53.728 52.037 -0.376 0.000 0.636 67 A CB -0.854 17.837 19.000 -0.516 0.000 0.810 67 A HN 0.593 nan 8.150 nan 0.000 0.448 68 D N -0.025 120.238 120.400 -0.227 0.000 2.117 68 D HA -0.133 4.508 4.640 0.001 0.000 0.198 68 D C 2.483 178.690 176.300 -0.156 0.000 0.982 68 D CA 1.791 55.677 54.000 -0.190 0.000 0.828 68 D CB -0.318 40.331 40.800 -0.251 0.000 0.967 68 D HN 0.610 nan 8.370 nan 0.000 0.464 69 S N 0.153 115.759 115.700 -0.157 0.000 2.402 69 S HA -0.084 4.387 4.470 0.001 0.000 0.229 69 S C 1.201 175.761 174.600 -0.066 0.000 1.021 69 S CA 0.571 58.713 58.200 -0.096 0.000 0.974 69 S CB 0.114 63.281 63.200 -0.055 0.000 0.800 69 S HN -0.050 nan 8.310 nan 0.000 0.484 70 K N 2.036 122.395 120.400 -0.069 0.000 2.155 70 K HA 0.266 4.587 4.320 0.001 0.000 0.237 70 K C -0.268 176.306 176.600 -0.044 0.000 1.040 70 K CA -0.418 55.841 56.287 -0.045 0.000 0.912 70 K CB 0.077 32.557 32.500 -0.034 0.000 1.137 70 K HN 0.486 nan 8.250 nan 0.000 0.498 71 N N 0.545 119.229 118.700 -0.026 0.000 2.400 71 N HA 0.034 4.775 4.740 0.001 0.000 0.288 71 N C -0.453 175.051 175.510 -0.009 0.000 1.024 71 N CA -0.441 52.598 53.050 -0.019 0.000 0.894 71 N CB 0.887 39.367 38.487 -0.012 0.000 1.173 71 N HN 0.225 nan 8.380 nan 0.000 0.487 72 D N 1.503 121.900 120.400 -0.006 0.000 2.369 72 D HA -0.168 4.472 4.640 0.001 0.000 0.213 72 D C 0.348 176.660 176.300 0.021 0.000 0.982 72 D CA 1.146 55.151 54.000 0.008 0.000 0.931 72 D CB 0.039 40.845 40.800 0.010 0.000 0.889 72 D HN 0.506 nan 8.370 nan 0.000 0.487 73 N N 0.385 119.096 118.700 0.018 0.000 2.203 73 N HA 0.005 4.745 4.740 0.001 0.000 0.207 73 N C -0.540 174.981 175.510 0.018 0.000 1.130 73 N CA 0.091 53.157 53.050 0.028 0.000 0.861 73 N CB 0.759 39.262 38.487 0.027 0.000 1.005 73 N HN 0.172 nan 8.380 nan 0.000 0.507 74 D N 0.653 121.061 120.400 0.013 0.000 2.181 74 D HA 0.223 4.864 4.640 0.001 0.000 0.248 74 D C 0.036 176.350 176.300 0.022 0.000 1.020 74 D CA -0.282 53.726 54.000 0.013 0.000 0.891 74 D CB 1.134 41.942 40.800 0.013 0.000 1.187 74 D HN -0.104 nan 8.370 nan 0.000 0.443 75 N N 0.746 119.461 118.700 0.026 0.000 2.503 75 N HA 0.370 5.110 4.740 0.001 0.000 0.267 75 N C -0.081 175.504 175.510 0.126 0.000 1.214 75 N CA -0.023 53.054 53.050 0.046 0.000 0.959 75 N CB 1.371 39.877 38.487 0.032 0.000 1.142 75 N HN 0.345 nan 8.380 nan 0.000 0.455 76 I N 0.498 121.187 120.570 0.198 0.000 2.785 76 I HA 0.527 4.698 4.170 0.001 0.000 0.302 76 I C -1.150 175.242 176.117 0.460 0.000 1.069 76 I CA -0.813 60.668 61.300 0.301 0.000 1.045 76 I CB 1.998 40.166 38.000 0.281 0.000 1.236 76 I HN 0.321 nan 8.210 nan 0.000 0.429 77 F N 5.976 126.123 119.950 0.328 0.000 2.688 77 F HA 0.490 5.017 4.527 0.001 0.000 0.332 77 F C -1.529 174.535 175.800 0.441 0.000 1.131 77 F CA -0.570 57.626 58.000 0.326 0.000 1.113 77 F CB 1.013 40.165 39.000 0.255 0.000 1.359 77 F HN 0.314 nan 8.300 nan 0.000 0.551 78 L N 1.724 122.921 121.223 -0.044 0.000 2.309 78 L HA 0.912 5.253 4.340 0.001 0.000 0.240 78 L C -1.130 175.825 176.870 0.142 0.000 1.136 78 L CA -1.028 53.926 54.840 0.191 0.000 0.985 78 L CB 1.797 43.793 42.059 -0.105 0.000 1.572 78 L HN 0.413 nan 8.230 nan 0.000 0.426 79 S N 0.365 116.240 115.700 0.293 0.000 2.383 79 S HA 0.457 4.928 4.470 0.001 0.000 0.196 79 S C -2.041 172.640 174.600 0.134 0.000 1.364 79 S CA -1.074 57.318 58.200 0.321 0.000 1.212 79 S CB 0.764 64.295 63.200 0.552 0.000 1.171 79 S HN 0.591 nan 8.310 nan 0.000 0.456 80 P HA -0.154 nan 4.420 nan 0.000 0.217 80 P C 1.569 179.006 177.300 0.229 0.000 1.148 80 P CA 0.682 63.838 63.100 0.094 0.000 0.828 80 P CB 0.120 31.844 31.700 0.041 0.000 0.783 81 L N 0.147 121.460 121.223 0.150 0.000 2.056 81 L HA -0.079 4.261 4.340 0.001 0.000 0.207 81 L C 2.716 179.714 176.870 0.212 0.000 1.078 81 L CA 2.161 57.110 54.840 0.181 0.000 0.749 81 L CB -1.677 40.428 42.059 0.077 0.000 0.901 81 L HN -0.054 nan 8.230 nan 0.000 0.433 82 S N -0.292 115.525 115.700 0.195 0.000 2.351 82 S HA -0.222 4.248 4.470 0.001 0.000 0.220 82 S C 2.062 176.781 174.600 0.198 0.000 1.035 82 S CA 2.019 60.356 58.200 0.228 0.000 1.031 82 S CB -0.531 62.874 63.200 0.342 0.000 0.928 82 S HN 0.500 nan 8.310 nan 0.000 0.433 83 I N 1.127 121.839 120.570 0.237 0.000 2.179 83 I HA -0.140 4.030 4.170 0.001 0.000 0.242 83 I C 2.737 178.927 176.117 0.121 0.000 1.088 83 I CA 1.318 62.773 61.300 0.259 0.000 1.357 83 I CB -0.755 37.381 38.000 0.227 0.000 1.051 83 I HN 0.298 nan 8.210 nan 0.000 0.409 84 S N 0.397 116.144 115.700 0.079 0.000 2.374 84 S HA -0.211 4.259 4.470 0.001 0.000 0.227 84 S C 2.061 176.549 174.600 -0.187 0.000 1.037 84 S CA 2.172 60.288 58.200 -0.140 0.000 1.024 84 S CB -0.485 62.870 63.200 0.257 0.000 0.861 84 S HN 0.492 nan 8.310 nan 0.000 0.456 85 T N 2.197 116.683 114.554 -0.114 0.000 2.701 85 T HA -0.010 4.340 4.350 0.001 0.000 0.263 85 T C 2.199 176.567 174.700 -0.552 0.000 1.040 85 T CA 1.235 63.038 62.100 -0.494 0.000 1.147 85 T CB -0.588 68.189 68.868 -0.152 0.000 0.865 85 T HN 0.469 nan 8.240 nan 0.000 0.426 86 A N 0.803 123.429 122.820 -0.323 0.000 1.908 86 A HA -0.040 4.281 4.320 0.001 0.000 0.218 86 A C 1.972 179.221 177.584 -0.558 0.000 1.181 86 A CA 1.484 53.279 52.037 -0.404 0.000 0.627 86 A CB -1.012 17.823 19.000 -0.275 0.000 0.818 86 A HN 0.489 nan 8.150 nan 0.000 0.445 87 F N -0.179 119.509 119.950 -0.437 0.000 2.367 87 F HA 0.076 4.603 4.527 0.000 0.000 0.298 87 F C 2.660 178.185 175.800 -0.459 0.000 1.094 87 F CA 0.631 58.354 58.000 -0.462 0.000 1.409 87 F CB -0.247 38.334 39.000 -0.700 0.000 1.064 87 F HN 0.258 nan 8.300 nan 0.000 0.528 88 A N 0.086 122.666 122.820 -0.401 0.000 1.902 88 A HA -0.215 4.106 4.320 0.001 0.000 0.217 88 A C 2.231 179.647 177.584 -0.281 0.000 1.181 88 A CA 1.638 53.485 52.037 -0.317 0.000 0.623 88 A CB -0.702 17.988 19.000 -0.517 0.000 0.818 88 A HN 0.317 nan 8.150 nan 0.000 0.443 89 M N -0.895 118.314 119.600 -0.653 0.000 2.082 89 M HA -0.180 4.301 4.480 0.001 0.000 0.258 89 M C 2.331 178.479 176.300 -0.253 0.000 1.071 89 M CA 2.249 57.151 55.300 -0.663 0.000 1.103 89 M CB -1.031 31.113 32.600 -0.761 0.000 1.307 89 M HN 0.440 nan 8.290 nan 0.000 0.409 90 T N 0.838 115.257 114.554 -0.226 0.000 2.624 90 T HA -0.235 4.116 4.350 0.001 0.000 0.268 90 T C 1.511 176.226 174.700 0.025 0.000 1.041 90 T CA 2.123 64.170 62.100 -0.089 0.000 1.159 90 T CB -0.498 68.301 68.868 -0.115 0.000 0.863 90 T HN 0.478 nan 8.240 nan 0.000 0.434 91 K N 1.693 122.121 120.400 0.047 0.000 2.574 91 K HA 0.135 4.455 4.320 0.001 0.000 0.193 91 K C 2.056 178.785 176.600 0.214 0.000 1.035 91 K CA 0.480 56.853 56.287 0.143 0.000 0.982 91 K CB -0.450 32.145 32.500 0.158 0.000 0.795 91 K HN 0.340 nan 8.250 nan 0.000 0.491 92 L N 0.069 121.338 121.223 0.078 0.000 2.141 92 L HA -0.009 4.331 4.340 0.001 0.000 0.209 92 L C 1.379 178.265 176.870 0.026 0.000 1.094 92 L CA 1.470 56.202 54.840 -0.181 0.000 0.763 92 L CB -0.114 41.603 42.059 -0.571 0.000 0.908 92 L HN 0.519 nan 8.230 nan 0.000 0.437 93 G N -1.205 107.691 108.800 0.160 0.000 4.250 93 G HA2 0.517 4.477 3.960 0.001 0.000 0.295 93 G HA3 0.517 4.477 3.960 0.001 0.000 0.295 93 G C 0.034 175.007 174.900 0.121 0.000 1.081 93 G CA 0.328 45.532 45.100 0.174 0.000 0.854 93 G HN 0.387 nan 8.290 nan 0.000 0.524 94 A N -0.740 122.154 122.820 0.123 0.000 2.240 94 A HA 0.855 5.176 4.320 0.001 0.000 0.292 94 A C -0.319 177.319 177.584 0.090 0.000 1.121 94 A CA -0.536 51.562 52.037 0.102 0.000 0.851 94 A CB 1.225 20.295 19.000 0.117 0.000 1.167 94 A HN 0.765 nan 8.150 nan 0.000 0.503 95 c N -1.366 117.282 118.600 0.080 0.000 3.312 95 c HA 0.548 5.118 4.570 0.001 0.000 0.332 95 c C 0.249 174.378 174.090 0.064 0.000 1.340 95 c CA -0.070 56.297 56.329 0.063 0.000 1.265 95 c CB 0.247 42.781 42.510 0.040 0.000 1.563 95 c HN 1.237 nan 8.230 nan 0.000 0.471 96 N N 1.587 120.321 118.700 0.057 0.000 1.149 96 N HA -0.221 4.519 4.740 0.001 0.000 0.118 96 N C 0.290 175.840 175.510 0.066 0.000 0.756 96 N CA 2.039 55.122 53.050 0.054 0.000 0.861 96 N CB -0.754 37.757 38.487 0.040 0.000 1.099 96 N HN 0.885 nan 8.380 nan 0.000 0.597 97 D N -0.834 119.598 120.400 0.053 0.000 2.178 97 D HA -0.010 4.630 4.640 0.001 0.000 0.201 97 D C 0.622 176.955 176.300 0.055 0.000 0.980 97 D CA 1.580 55.611 54.000 0.052 0.000 0.842 97 D CB -0.293 40.530 40.800 0.040 0.000 0.948 97 D HN 0.440 nan 8.370 nan 0.000 0.472 98 T N 0.392 114.978 114.554 0.053 0.000 3.667 98 T HA 0.182 4.532 4.350 0.001 0.000 0.240 98 T C 0.770 175.518 174.700 0.079 0.000 0.919 98 T CA 0.132 62.262 62.100 0.050 0.000 0.928 98 T CB -0.019 68.874 68.868 0.042 0.000 1.151 98 T HN 0.021 nan 8.240 nan 0.000 0.644 99 L N -0.413 120.871 121.223 0.102 0.000 1.665 99 L HA 0.248 4.589 4.340 0.001 0.000 0.152 99 L C 2.420 179.384 176.870 0.157 0.000 1.320 99 L CA 1.365 56.297 54.840 0.153 0.000 1.147 99 L CB -1.084 41.081 42.059 0.177 0.000 2.398 99 L HN 0.108 nan 8.230 nan 0.000 0.483 100 Q N 0.302 120.181 119.800 0.131 0.000 2.077 100 Q HA -0.310 4.030 4.340 0.001 0.000 0.206 100 Q C 1.925 177.980 176.000 0.092 0.000 0.989 100 Q CA 2.919 58.790 55.803 0.113 0.000 0.853 100 Q CB -1.335 27.455 28.738 0.086 0.000 0.907 100 Q HN 0.774 nan 8.270 nan 0.000 0.418 101 Q N -0.308 119.537 119.800 0.075 0.000 2.061 101 Q HA -0.101 4.240 4.340 0.001 0.000 0.204 101 Q C 2.399 178.441 176.000 0.070 0.000 0.984 101 Q CA 1.578 57.411 55.803 0.051 0.000 0.846 101 Q CB -0.330 28.429 28.738 0.034 0.000 0.902 101 Q HN 0.706 nan 8.270 nan 0.000 0.421 102 L N -0.088 121.213 121.223 0.130 0.000 1.944 102 L HA -0.270 4.070 4.340 0.001 0.000 0.218 102 L C 2.570 179.614 176.870 0.289 0.000 1.075 102 L CA 1.027 56.017 54.840 0.250 0.000 0.767 102 L CB -0.636 41.573 42.059 0.251 0.000 0.890 102 L HN 0.376 nan 8.230 nan 0.000 0.434 103 M N -0.322 119.425 119.600 0.245 0.000 2.103 103 M HA -0.287 4.194 4.480 0.001 0.000 0.255 103 M C 2.116 178.488 176.300 0.120 0.000 1.074 103 M CA 1.935 57.373 55.300 0.231 0.000 1.090 103 M CB -1.330 31.329 32.600 0.099 0.000 1.325 103 M HN 0.327 nan 8.290 nan 0.000 0.403 104 E N -0.292 119.947 120.200 0.065 0.000 2.028 104 E HA -0.126 4.224 4.350 0.001 0.000 0.191 104 E C 2.153 178.716 176.600 -0.061 0.000 0.988 104 E CA 1.305 57.709 56.400 0.007 0.000 0.799 104 E CB -0.165 29.541 29.700 0.010 0.000 0.755 104 E HN 0.288 nan 8.360 nan 0.000 0.447 105 V N 0.592 120.440 119.914 -0.110 0.000 2.392 105 V HA -0.216 3.905 4.120 0.001 0.000 0.249 105 V C 1.507 177.300 176.094 -0.502 0.000 1.059 105 V CA 1.539 63.663 62.300 -0.292 0.000 1.051 105 V CB -0.387 31.185 31.823 -0.419 0.000 0.658 105 V HN 0.192 nan 8.190 nan 0.000 0.455 106 F N 0.020 119.779 119.950 -0.318 0.000 2.660 106 F HA 0.293 4.820 4.527 0.000 0.000 0.302 106 F C 1.221 176.603 175.800 -0.697 0.000 1.103 106 F CA -0.446 57.167 58.000 -0.645 0.000 1.340 106 F CB -0.034 38.385 39.000 -0.969 0.000 1.048 106 F HN 0.001 nan 8.300 nan 0.000 0.551 107 K N -1.426 118.825 120.400 -0.249 0.000 3.193 107 K HA -0.259 4.061 4.320 0.001 0.000 0.294 107 K C 0.642 177.161 176.600 -0.135 0.000 1.185 107 K CA 0.643 56.834 56.287 -0.161 0.000 0.866 107 K CB -2.769 29.663 32.500 -0.114 0.000 1.227 107 K HN 0.303 nan 8.250 nan 0.000 0.467 108 F N 1.654 121.627 119.950 0.037 0.000 2.604 108 F HA -0.064 4.463 4.527 0.001 0.000 0.298 108 F C 1.980 177.746 175.800 -0.056 0.000 1.131 108 F CA 1.290 59.277 58.000 -0.021 0.000 1.457 108 F CB -0.163 38.795 39.000 -0.072 0.000 1.095 108 F HN 0.185 nan 8.300 nan 0.000 0.574 109 D N -0.765 119.699 120.400 0.107 0.000 2.325 109 D HA -0.041 4.600 4.640 0.001 0.000 0.225 109 D C 1.125 177.451 176.300 0.043 0.000 1.096 109 D CA 0.754 54.789 54.000 0.058 0.000 0.844 109 D CB -0.846 39.982 40.800 0.047 0.000 0.925 109 D HN 0.324 nan 8.370 nan 0.000 0.513 110 T N -1.403 113.174 114.554 0.039 0.000 3.215 110 T HA 0.371 4.721 4.350 0.001 0.000 0.271 110 T C 0.818 175.533 174.700 0.026 0.000 1.012 110 T CA -0.678 61.434 62.100 0.020 0.000 0.899 110 T CB -0.718 68.148 68.868 -0.003 0.000 1.089 110 T HN 0.334 nan 8.240 nan 0.000 0.552 111 I N -1.946 118.653 120.570 0.047 0.000 3.239 111 I HA 0.754 4.925 4.170 0.001 0.000 0.314 111 I C 0.035 176.190 176.117 0.064 0.000 1.126 111 I CA -1.604 59.727 61.300 0.051 0.000 0.973 111 I CB 1.772 39.810 38.000 0.065 0.000 1.252 111 I HN 0.066 nan 8.210 nan 0.000 0.463 112 S N 0.755 116.498 115.700 0.070 0.000 2.563 112 S HA 0.156 4.626 4.470 0.001 0.000 0.284 112 S C 1.133 175.791 174.600 0.096 0.000 1.331 112 S CA 0.413 58.660 58.200 0.079 0.000 1.047 112 S CB 1.062 64.311 63.200 0.082 0.000 0.859 112 S HN 0.965 nan 8.310 nan 0.000 0.514 113 E N 2.609 122.863 120.200 0.090 0.000 2.209 113 E HA -0.108 4.243 4.350 0.001 0.000 0.196 113 E C 2.257 178.932 176.600 0.125 0.000 0.993 113 E CA 2.151 58.612 56.400 0.102 0.000 0.819 113 E CB -1.709 28.045 29.700 0.091 0.000 0.745 113 E HN 1.045 nan 8.360 nan 0.000 0.477 114 K N 0.140 120.621 120.400 0.134 0.000 2.026 114 K HA -0.109 4.211 4.320 0.001 0.000 0.208 114 K C 2.582 179.352 176.600 0.283 0.000 1.048 114 K CA 2.081 58.475 56.287 0.178 0.000 0.929 114 K CB -1.361 31.244 32.500 0.176 0.000 0.713 114 K HN 0.470 nan 8.250 nan 0.000 0.439 115 T N 0.812 115.560 114.554 0.324 0.000 2.809 115 T HA -0.116 4.234 4.350 0.001 0.000 0.260 115 T C 2.383 177.224 174.700 0.234 0.000 1.039 115 T CA 1.856 64.254 62.100 0.498 0.000 1.141 115 T CB -0.370 68.664 68.868 0.277 0.000 0.869 115 T HN 0.734 nan 8.240 nan 0.000 0.437 116 S N 1.589 117.361 115.700 0.119 0.000 2.465 116 S HA -0.163 4.307 4.470 0.001 0.000 0.241 116 S C 1.320 175.869 174.600 -0.085 0.000 1.000 116 S CA 1.226 59.413 58.200 -0.022 0.000 0.964 116 S CB -0.388 62.811 63.200 -0.003 0.000 0.763 116 S HN 0.322 nan 8.310 nan 0.000 0.512 117 D N 1.903 122.367 120.400 0.107 0.000 2.278 117 D HA 0.172 4.812 4.640 0.001 0.000 0.228 117 D C 2.071 178.428 176.300 0.095 0.000 1.020 117 D CA 1.682 55.844 54.000 0.269 0.000 0.922 117 D CB -0.980 39.919 40.800 0.165 0.000 1.051 117 D HN 0.562 nan 8.370 nan 0.000 0.452 118 Q N 0.968 120.722 119.800 -0.076 0.000 2.800 118 Q HA 0.190 4.530 4.340 0.001 0.000 0.261 118 Q C 1.394 177.156 176.000 -0.396 0.000 1.093 118 Q CA 0.083 55.721 55.803 -0.275 0.000 0.943 118 Q CB -1.824 26.623 28.738 -0.485 0.000 1.591 118 Q HN 0.425 nan 8.270 nan 0.000 0.429 119 I N -0.038 120.357 120.570 -0.293 0.000 2.493 119 I HA -0.216 3.954 4.170 0.001 0.000 0.254 119 I C 1.836 177.845 176.117 -0.181 0.000 1.160 119 I CA 0.877 62.000 61.300 -0.294 0.000 1.445 119 I CB -0.113 37.539 38.000 -0.581 0.000 1.086 119 I HN 0.644 nan 8.210 nan 0.000 0.433 120 H N -0.487 118.587 119.070 0.007 0.000 2.428 120 H HA -0.108 4.448 4.556 0.001 0.000 0.296 120 H C 1.969 177.279 175.328 -0.029 0.000 1.062 120 H CA 1.086 57.143 56.048 0.014 0.000 1.350 120 H CB -0.364 29.373 29.762 -0.041 0.000 1.403 120 H HN 0.278 nan 8.280 nan 0.000 0.533 121 F N 1.497 121.353 119.950 -0.156 0.000 2.060 121 F HA -0.173 4.354 4.527 0.001 0.000 0.295 121 F C 1.924 177.683 175.800 -0.067 0.000 1.120 121 F CA 1.000 58.874 58.000 -0.210 0.000 1.205 121 F CB -0.688 38.057 39.000 -0.426 0.000 0.986 121 F HN -0.115 nan 8.300 nan 0.000 0.470 122 F N -0.825 119.075 119.950 -0.084 0.000 2.269 122 F HA -0.128 4.400 4.527 0.001 0.000 0.301 122 F C 2.260 177.952 175.800 -0.179 0.000 1.082 122 F CA 0.594 58.465 58.000 -0.216 0.000 1.360 122 F CB -1.764 37.169 39.000 -0.110 0.000 1.041 122 F HN -0.004 nan 8.300 nan 0.000 0.512 123 F N 0.328 120.305 119.950 0.046 0.000 2.259 123 F HA 0.013 4.540 4.527 0.001 0.000 0.298 123 F C 2.356 178.147 175.800 -0.015 0.000 1.088 123 F CA 0.670 58.706 58.000 0.060 0.000 1.358 123 F CB -0.741 38.349 39.000 0.151 0.000 1.040 123 F HN -0.056 nan 8.300 nan 0.000 0.505 124 A N -0.217 122.641 122.820 0.064 0.000 1.877 124 A HA -0.174 4.146 4.320 0.001 0.000 0.216 124 A C 2.342 179.894 177.584 -0.054 0.000 1.186 124 A CA 1.904 53.911 52.037 -0.051 0.000 0.620 124 A CB -0.863 18.051 19.000 -0.143 0.000 0.822 124 A HN 0.196 nan 8.150 nan 0.000 0.443 125 K N -0.846 119.457 120.400 -0.162 0.000 2.063 125 K HA -0.124 4.196 4.320 0.001 0.000 0.208 125 K C 2.083 178.640 176.600 -0.071 0.000 1.048 125 K CA 1.376 57.571 56.287 -0.154 0.000 0.928 125 K CB -1.154 31.214 32.500 -0.219 0.000 0.713 125 K HN 0.542 nan 8.250 nan 0.000 0.442 126 L N 2.079 123.268 121.223 -0.056 0.000 2.017 126 L HA -0.076 4.264 4.340 0.001 0.000 0.208 126 L C 1.675 178.534 176.870 -0.019 0.000 1.073 126 L CA 1.878 56.680 54.840 -0.064 0.000 0.745 126 L CB -0.863 41.114 42.059 -0.137 0.000 0.894 126 L HN 0.240 nan 8.230 nan 0.000 0.432 127 N N -0.890 117.872 118.700 0.104 0.000 2.289 127 N HA -0.183 4.557 4.740 0.001 0.000 0.184 127 N C 1.867 177.461 175.510 0.139 0.000 1.016 127 N CA 1.555 54.726 53.050 0.202 0.000 0.872 127 N CB -0.612 38.112 38.487 0.394 0.000 0.973 127 N HN 0.455 nan 8.380 nan 0.000 0.433 128 c N 0.687 119.325 118.600 0.064 0.000 2.489 128 c HA 0.037 4.607 4.570 0.001 0.000 0.279 128 c C 2.540 176.635 174.090 0.008 0.000 1.266 128 c CA 0.297 56.653 56.329 0.044 0.000 1.707 128 c CB -0.701 41.813 42.510 0.007 0.000 2.059 128 c HN 0.476 nan 8.230 nan 0.000 0.481 129 R N 0.193 120.675 120.500 -0.030 0.000 2.235 129 R HA 0.052 4.392 4.340 0.001 0.000 0.213 129 R C 1.885 178.133 176.300 -0.086 0.000 1.059 129 R CA 0.685 56.759 56.100 -0.043 0.000 0.997 129 R CB -0.186 30.086 30.300 -0.046 0.000 0.884 129 R HN 0.554 nan 8.270 nan 0.000 0.462 130 L N -1.185 119.939 121.223 -0.165 0.000 2.145 130 L HA -0.041 4.300 4.340 0.001 0.000 0.201 130 L C 1.090 177.703 176.870 -0.428 0.000 1.075 130 L CA 0.993 55.610 54.840 -0.372 0.000 0.773 130 L CB 0.082 41.749 42.059 -0.653 0.000 0.936 130 L HN 0.135 nan 8.230 nan 0.000 0.451 131 Y N -0.321 120.007 120.300 0.046 0.000 2.457 131 Y HA 0.124 4.674 4.550 0.001 0.000 0.263 131 Y C 1.624 177.546 175.900 0.037 0.000 1.164 131 Y CA -0.713 57.415 58.100 0.047 0.000 1.274 131 Y CB -0.411 38.083 38.460 0.057 0.000 1.097 131 Y HN 0.178 nan 8.280 nan 0.000 0.523 132 R N 2.162 122.730 120.500 0.113 0.000 3.213 132 R HA 0.273 4.613 4.340 0.001 0.000 0.188 132 R C -0.250 176.092 176.300 0.071 0.000 0.931 132 R CA -0.330 55.819 56.100 0.082 0.000 1.218 132 R CB 0.061 30.390 30.300 0.048 0.000 0.742 132 R HN -0.028 nan 8.270 nan 0.000 0.484 133 K N -2.481 117.948 120.400 0.050 0.000 2.675 133 K HA 0.314 4.635 4.320 0.001 0.000 0.280 133 K C -1.216 175.404 176.600 0.034 0.000 0.993 133 K CA -0.216 56.097 56.287 0.044 0.000 0.863 133 K CB 1.561 34.090 32.500 0.048 0.000 1.438 133 K HN 0.596 nan 8.250 nan 0.000 0.389 134 A N 1.034 123.873 122.820 0.032 0.000 2.469 134 A HA 0.187 4.508 4.320 0.001 0.000 0.245 134 A C 0.606 178.203 177.584 0.023 0.000 1.221 134 A CA 0.402 52.456 52.037 0.029 0.000 0.946 134 A CB -0.518 18.503 19.000 0.035 0.000 1.049 134 A HN 0.908 nan 8.150 nan 0.000 0.529 135 N N 0.147 118.860 118.700 0.021 0.000 2.691 135 N HA -0.249 4.492 4.740 0.001 0.000 0.259 135 N C 0.721 176.228 175.510 -0.004 0.000 0.961 135 N CA 1.321 54.375 53.050 0.007 0.000 0.828 135 N CB -0.786 37.706 38.487 0.009 0.000 0.936 135 N HN 0.749 nan 8.380 nan 0.000 0.553 136 K N -0.343 120.058 120.400 0.002 0.000 2.981 136 K HA 0.255 4.575 4.320 0.001 0.000 0.308 136 K C 1.022 177.604 176.600 -0.029 0.000 1.089 136 K CA 0.701 56.989 56.287 0.001 0.000 1.362 136 K CB -0.078 32.437 32.500 0.024 0.000 1.631 136 K HN 0.145 nan 8.250 nan 0.000 0.547 137 A N 0.571 123.373 122.820 -0.030 0.000 2.370 137 A HA 0.102 4.423 4.320 0.001 0.000 0.238 137 A C 0.222 177.710 177.584 -0.159 0.000 1.289 137 A CA 0.177 52.164 52.037 -0.084 0.000 0.885 137 A CB -0.065 18.910 19.000 -0.041 0.000 0.961 137 A HN 0.285 nan 8.150 nan 0.000 0.499 138 S N 0.375 116.011 115.700 -0.106 0.000 2.269 138 S HA 0.372 4.842 4.470 0.001 0.000 0.194 138 S C -0.350 174.196 174.600 -0.090 0.000 1.547 138 S CA -0.598 57.539 58.200 -0.105 0.000 1.186 138 S CB -0.133 63.112 63.200 0.075 0.000 1.069 138 S HN 0.517 nan 8.310 nan 0.000 0.473 139 K N 3.153 123.407 120.400 -0.244 0.000 2.156 139 K HA 0.677 4.998 4.320 0.001 0.000 0.250 139 K C -1.514 175.041 176.600 -0.075 0.000 0.955 139 K CA -0.909 55.293 56.287 -0.142 0.000 0.855 139 K CB 1.079 33.467 32.500 -0.187 0.000 1.101 139 K HN 0.452 nan 8.250 nan 0.000 0.434 140 L N 3.997 125.271 121.223 0.084 0.000 2.617 140 L HA 0.282 4.623 4.340 0.001 0.000 0.259 140 L C -1.807 175.243 176.870 0.301 0.000 0.995 140 L CA -0.442 54.529 54.840 0.217 0.000 0.899 140 L CB 1.611 43.817 42.059 0.245 0.000 1.181 140 L HN 0.342 nan 8.230 nan 0.000 0.437 141 V N 2.394 122.455 119.914 0.245 0.000 2.427 141 V HA 0.646 4.767 4.120 0.001 0.000 0.286 141 V C 0.501 176.695 176.094 0.166 0.000 1.034 141 V CA -0.370 62.049 62.300 0.199 0.000 0.893 141 V CB 1.518 33.458 31.823 0.195 0.000 0.982 141 V HN 0.755 nan 8.190 nan 0.000 0.452 142 S N 3.319 118.975 115.700 -0.073 0.000 2.654 142 S HA 0.803 5.273 4.470 0.001 0.000 0.283 142 S C 0.058 174.617 174.600 -0.068 0.000 1.180 142 S CA 0.160 58.299 58.200 -0.102 0.000 1.021 142 S CB 1.560 64.465 63.200 -0.492 0.000 1.018 142 S HN 1.361 nan 8.310 nan 0.000 0.532 143 A N 3.693 126.538 122.820 0.041 0.000 3.464 143 A HA 0.389 4.710 4.320 0.001 0.000 0.243 143 A C -0.900 176.878 177.584 0.324 0.000 1.100 143 A CA -0.778 51.319 52.037 0.100 0.000 0.957 143 A CB -0.158 18.826 19.000 -0.027 0.000 1.340 143 A HN 0.697 nan 8.150 nan 0.000 0.645 144 N N 1.237 120.090 118.700 0.255 0.000 2.430 144 N HA 0.666 5.406 4.740 0.001 0.000 0.292 144 N C -0.283 175.277 175.510 0.084 0.000 1.051 144 N CA -0.164 52.975 53.050 0.149 0.000 0.917 144 N CB 1.804 40.292 38.487 0.003 0.000 1.164 144 N HN 0.640 nan 8.380 nan 0.000 0.484 145 R N 0.997 121.457 120.500 -0.067 0.000 2.690 145 R HA 0.417 4.758 4.340 0.001 0.000 0.269 145 R C -1.659 174.369 176.300 -0.454 0.000 1.037 145 R CA -0.657 55.205 56.100 -0.397 0.000 0.877 145 R CB 1.509 31.272 30.300 -0.896 0.000 1.255 145 R HN 0.302 nan 8.270 nan 0.000 0.467 146 L N 2.872 123.725 121.223 -0.617 0.000 2.325 146 L HA 0.562 4.902 4.340 0.001 0.000 0.278 146 L C -0.990 175.425 176.870 -0.758 0.000 1.023 146 L CA -0.320 54.226 54.840 -0.489 0.000 0.811 146 L CB 1.318 43.155 42.059 -0.370 0.000 1.249 146 L HN 0.571 nan 8.230 nan 0.000 0.431 147 F N 0.873 120.739 119.950 -0.139 0.000 2.499 147 F HA 0.641 5.169 4.527 0.001 0.000 0.333 147 F C 0.617 176.468 175.800 0.085 0.000 1.138 147 F CA -0.573 57.389 58.000 -0.063 0.000 0.945 147 F CB 2.190 41.249 39.000 0.098 0.000 1.181 147 F HN 0.435 nan 8.300 nan 0.000 0.435 148 G N 1.642 110.496 108.800 0.090 0.000 2.519 148 G HA2 0.409 4.370 3.960 0.001 0.000 0.307 148 G HA3 0.409 4.370 3.960 0.001 0.000 0.307 148 G C -1.696 173.397 174.900 0.322 0.000 1.266 148 G CA -0.749 44.481 45.100 0.217 0.000 0.970 148 G HN 0.491 nan 8.290 nan 0.000 0.481 149 D N -0.124 120.515 120.400 0.398 0.000 2.443 149 D HA 0.096 4.737 4.640 0.001 0.000 0.239 149 D C 1.542 177.947 176.300 0.175 0.000 1.136 149 D CA 0.120 54.261 54.000 0.234 0.000 0.879 149 D CB 0.972 41.919 40.800 0.245 0.000 1.195 149 D HN 0.313 nan 8.370 nan 0.000 0.443 150 K N 0.667 121.096 120.400 0.050 0.000 2.103 150 K HA -0.130 4.191 4.320 0.001 0.000 0.207 150 K C 1.231 177.780 176.600 -0.084 0.000 1.048 150 K CA 1.244 57.529 56.287 -0.004 0.000 0.930 150 K CB -0.151 32.332 32.500 -0.028 0.000 0.716 150 K HN 0.479 nan 8.250 nan 0.000 0.444 151 S N 1.223 116.893 115.700 -0.050 0.000 3.361 151 S HA 0.128 4.599 4.470 0.001 0.000 0.246 151 S C -0.047 174.473 174.600 -0.133 0.000 1.237 151 S CA -0.013 58.144 58.200 -0.072 0.000 1.240 151 S CB -0.857 62.330 63.200 -0.021 0.000 1.154 151 S HN 0.108 nan 8.310 nan 0.000 0.461 152 L N -0.051 120.999 121.223 -0.288 0.000 2.545 152 L HA 0.371 4.712 4.340 0.001 0.000 0.258 152 L C -0.813 175.591 176.870 -0.777 0.000 0.942 152 L CA -0.641 53.922 54.840 -0.462 0.000 0.855 152 L CB 2.417 44.197 42.059 -0.465 0.000 1.374 152 L HN 0.019 nan 8.230 nan 0.000 0.411 153 T N 2.080 116.297 114.554 -0.561 0.000 2.753 153 T HA 0.531 4.881 4.350 0.001 0.000 0.297 153 T C -0.536 173.894 174.700 -0.451 0.000 0.981 153 T CA -0.227 61.588 62.100 -0.475 0.000 0.956 153 T CB 0.008 68.743 68.868 -0.222 0.000 0.936 153 T HN 0.073 nan 8.240 nan 0.000 0.463 154 F N 2.962 122.865 119.950 -0.078 0.000 2.410 154 F HA 0.288 4.816 4.527 0.001 0.000 0.348 154 F C 1.171 176.927 175.800 -0.074 0.000 1.106 154 F CA -1.642 56.289 58.000 -0.114 0.000 1.163 154 F CB 0.311 39.216 39.000 -0.160 0.000 1.129 154 F HN 0.402 nan 8.300 nan 0.000 0.516 155 N N 3.079 121.844 118.700 0.108 0.000 2.365 155 N HA -0.125 4.616 4.740 0.001 0.000 0.265 155 N C 1.020 176.607 175.510 0.128 0.000 1.288 155 N CA 0.377 53.481 53.050 0.090 0.000 0.869 155 N CB 0.540 39.084 38.487 0.094 0.000 1.071 155 N HN 0.563 nan 8.380 nan 0.000 0.480 156 E N 2.612 122.865 120.200 0.089 0.000 2.268 156 E HA -0.080 4.270 4.350 0.001 0.000 0.195 156 E C 1.073 177.720 176.600 0.079 0.000 0.995 156 E CA 0.808 57.258 56.400 0.083 0.000 0.836 156 E CB -0.012 29.716 29.700 0.047 0.000 0.763 156 E HN 0.664 nan 8.360 nan 0.000 0.491 157 T N 0.710 115.308 114.554 0.073 0.000 2.643 157 T HA -0.201 4.150 4.350 0.001 0.000 0.264 157 T C 1.632 176.362 174.700 0.050 0.000 1.045 157 T CA 1.543 63.669 62.100 0.043 0.000 1.155 157 T CB -0.590 68.299 68.868 0.034 0.000 0.863 157 T HN 0.254 nan 8.240 nan 0.000 0.420 158 Y N 2.335 122.617 120.300 -0.031 0.000 1.993 158 Y HA -0.293 4.258 4.550 0.001 0.000 0.267 158 Y C 2.675 178.540 175.900 -0.058 0.000 1.155 158 Y CA 1.789 59.857 58.100 -0.053 0.000 1.105 158 Y CB -0.762 37.672 38.460 -0.044 0.000 0.960 158 Y HN 0.087 nan 8.280 nan 0.000 0.486 159 Q N 0.592 120.604 119.800 0.353 0.000 2.103 159 Q HA -0.272 4.068 4.340 0.001 0.000 0.213 159 Q C 1.921 177.939 176.000 0.030 0.000 1.008 159 Q CA 2.255 58.174 55.803 0.193 0.000 0.879 159 Q CB -0.815 28.002 28.738 0.131 0.000 0.946 159 Q HN 0.674 nan 8.270 nan 0.000 0.413 160 D N 0.054 120.458 120.400 0.007 0.000 2.078 160 D HA -0.103 4.537 4.640 0.001 0.000 0.193 160 D C 2.208 178.462 176.300 -0.077 0.000 0.990 160 D CA 0.861 54.844 54.000 -0.028 0.000 0.827 160 D CB -0.379 40.410 40.800 -0.018 0.000 0.975 160 D HN 0.255 nan 8.370 nan 0.000 0.451 161 I N 1.183 121.682 120.570 -0.119 0.000 2.185 161 I HA -0.329 3.842 4.170 0.001 0.000 0.246 161 I C 2.722 178.705 176.117 -0.223 0.000 1.088 161 I CA 1.066 62.261 61.300 -0.176 0.000 1.347 161 I CB -0.362 37.502 38.000 -0.228 0.000 1.041 161 I HN -0.012 nan 8.210 nan 0.000 0.415 162 S N 0.603 116.147 115.700 -0.260 0.000 2.354 162 S HA -0.327 4.144 4.470 0.001 0.000 0.219 162 S C 2.071 176.622 174.600 -0.083 0.000 1.035 162 S CA 2.142 60.243 58.200 -0.166 0.000 1.037 162 S CB -0.447 62.636 63.200 -0.194 0.000 0.956 162 S HN 0.529 nan 8.310 nan 0.000 0.428 163 E N -0.387 119.775 120.200 -0.063 0.000 2.187 163 E HA -0.225 4.126 4.350 0.001 0.000 0.199 163 E C 1.994 178.567 176.600 -0.044 0.000 1.004 163 E CA 1.538 57.918 56.400 -0.033 0.000 0.813 163 E CB -0.228 29.458 29.700 -0.023 0.000 0.736 163 E HN 0.512 nan 8.360 nan 0.000 0.468 164 L N -0.435 120.742 121.223 -0.077 0.000 2.127 164 L HA -0.030 4.310 4.340 0.001 0.000 0.203 164 L C 2.116 178.916 176.870 -0.117 0.000 1.080 164 L CA 1.000 55.797 54.840 -0.072 0.000 0.768 164 L CB -0.101 41.922 42.059 -0.062 0.000 0.924 164 L HN 0.014 nan 8.230 nan 0.000 0.444 165 V N -1.233 118.539 119.914 -0.236 0.000 2.331 165 V HA -0.193 3.927 4.120 0.001 0.000 0.242 165 V C 1.965 177.736 176.094 -0.537 0.000 1.034 165 V CA 1.660 63.694 62.300 -0.444 0.000 1.027 165 V CB -0.568 30.818 31.823 -0.728 0.000 0.667 165 V HN 0.397 nan 8.190 nan 0.000 0.457 166 Y N 0.142 120.407 120.300 -0.059 0.000 2.524 166 Y HA 0.510 5.060 4.550 0.001 0.000 0.270 166 Y C 1.729 177.602 175.900 -0.045 0.000 1.094 166 Y CA 0.101 58.166 58.100 -0.058 0.000 1.276 166 Y CB -0.245 38.137 38.460 -0.129 0.000 1.130 166 Y HN 0.299 nan 8.280 nan 0.000 0.536 167 G N 0.726 109.555 108.800 0.049 0.000 2.417 167 G HA2 0.065 4.026 3.960 0.001 0.000 0.291 167 G HA3 0.065 4.026 3.960 0.001 0.000 0.291 167 G C 0.425 175.354 174.900 0.049 0.000 1.094 167 G CA 0.435 45.555 45.100 0.033 0.000 1.146 167 G HN 0.813 nan 8.290 nan 0.000 0.519 168 A N -1.140 121.693 122.820 0.022 0.000 2.260 168 A HA 0.871 5.192 4.320 0.001 0.000 0.153 168 A C 1.413 178.945 177.584 -0.085 0.000 1.906 168 A CA 1.816 53.846 52.037 -0.011 0.000 1.444 168 A CB -0.538 18.448 19.000 -0.023 0.000 1.615 168 A HN 2.692 nan 8.150 nan 0.000 0.356 169 K N -1.045 119.317 120.400 -0.063 0.000 0.820 169 K HA 0.059 4.379 4.320 0.001 0.000 0.789 169 K C -0.163 176.345 176.600 -0.153 0.000 2.208 169 K CA 1.036 57.289 56.287 -0.056 0.000 1.494 169 K CB -1.803 30.668 32.500 -0.048 0.000 2.681 169 K HN 1.862 nan 8.250 nan 0.000 0.276 170 L N 0.123 121.253 121.223 -0.156 0.000 2.475 170 L HA 0.727 5.068 4.340 0.001 0.000 0.253 170 L C 0.613 177.214 176.870 -0.449 0.000 1.198 170 L CA 0.305 54.904 54.840 -0.402 0.000 0.814 170 L CB 1.482 43.155 42.059 -0.644 0.000 1.134 170 L HN 1.147 nan 8.230 nan 0.000 0.478 171 Q N 2.323 121.780 119.800 -0.572 0.000 2.275 171 Q HA 0.567 4.907 4.340 0.001 0.000 0.266 171 Q C -2.766 173.094 176.000 -0.234 0.000 1.002 171 Q CA -1.850 53.704 55.803 -0.415 0.000 0.761 171 Q CB 2.093 30.461 28.738 -0.618 0.000 1.255 171 Q HN 0.363 nan 8.270 nan 0.000 0.446 172 P HA 0.400 nan 4.420 nan 0.000 0.292 172 P C -1.004 176.267 177.300 -0.049 0.000 1.287 172 P CA -0.210 62.931 63.100 0.069 0.000 0.800 172 P CB 0.871 32.715 31.700 0.240 0.000 0.945 173 L N 2.080 123.181 121.223 -0.203 0.000 2.371 173 L HA 0.414 4.754 4.340 0.001 0.000 0.262 173 L C -0.038 176.563 176.870 -0.448 0.000 1.006 173 L CA -0.856 53.752 54.840 -0.386 0.000 0.818 173 L CB 2.377 44.046 42.059 -0.649 0.000 1.354 173 L HN 0.205 nan 8.230 nan 0.000 0.415 174 D N 0.548 120.773 120.400 -0.293 0.000 2.470 174 D HA 0.165 4.805 4.640 0.001 0.000 0.226 174 D C 0.513 176.744 176.300 -0.115 0.000 1.196 174 D CA 0.076 53.983 54.000 -0.156 0.000 0.979 174 D CB 0.328 41.085 40.800 -0.073 0.000 1.059 174 D HN 0.199 nan 8.370 nan 0.000 0.515 175 F N 1.836 121.797 119.950 0.019 0.000 2.118 175 F HA 0.058 4.585 4.527 0.000 0.000 0.293 175 F C 2.208 178.015 175.800 0.012 0.000 1.102 175 F CA 0.702 58.709 58.000 0.012 0.000 1.247 175 F CB -0.307 38.705 39.000 0.020 0.000 1.017 175 F HN 0.270 nan 8.300 nan 0.000 0.475 176 K N -0.249 120.283 120.400 0.220 0.000 2.160 176 K HA -0.191 4.130 4.320 0.001 0.000 0.206 176 K C 1.633 178.283 176.600 0.083 0.000 1.047 176 K CA 1.595 57.957 56.287 0.125 0.000 0.930 176 K CB -0.078 32.478 32.500 0.093 0.000 0.720 176 K HN 0.205 nan 8.250 nan 0.000 0.450 177 E N -0.301 119.938 120.200 0.066 0.000 2.364 177 E HA 0.056 4.406 4.350 0.001 0.000 0.203 177 E C -0.097 176.526 176.600 0.038 0.000 0.888 177 E CA 0.466 56.891 56.400 0.041 0.000 0.989 177 E CB 0.386 30.099 29.700 0.023 0.000 0.985 177 E HN 0.139 nan 8.360 nan 0.000 0.499 178 N N 0.358 119.082 118.700 0.040 0.000 2.813 178 N HA 0.277 5.017 4.740 0.001 0.000 0.282 178 N C 0.225 175.771 175.510 0.061 0.000 1.748 178 N CA 0.124 53.192 53.050 0.030 0.000 0.860 178 N CB 1.318 39.803 38.487 -0.003 0.000 1.204 178 N HN 0.001 nan 8.380 nan 0.000 0.490 179 A N 0.444 123.327 122.820 0.104 0.000 1.845 179 A HA -0.173 4.147 4.320 0.001 0.000 0.215 179 A C 1.981 179.621 177.584 0.094 0.000 1.195 179 A CA 1.418 53.553 52.037 0.163 0.000 0.616 179 A CB -0.316 18.756 19.000 0.120 0.000 0.832 179 A HN 0.455 nan 8.150 nan 0.000 0.443 180 E N -0.269 119.958 120.200 0.044 0.000 2.265 180 E HA -0.195 4.155 4.350 0.001 0.000 0.196 180 E C 1.992 178.591 176.600 -0.001 0.000 0.996 180 E CA 1.617 58.025 56.400 0.013 0.000 0.832 180 E CB -0.252 29.451 29.700 0.004 0.000 0.756 180 E HN 0.726 nan 8.360 nan 0.000 0.491 181 Q N -0.964 118.837 119.800 0.001 0.000 2.123 181 Q HA 0.013 4.353 4.340 0.001 0.000 0.196 181 Q C 2.046 178.021 176.000 -0.041 0.000 0.958 181 Q CA 1.201 56.992 55.803 -0.019 0.000 0.841 181 Q CB 0.095 28.821 28.738 -0.020 0.000 0.915 181 Q HN 0.222 nan 8.270 nan 0.000 0.455 182 S N 0.548 116.223 115.700 -0.042 0.000 2.399 182 S HA -0.148 4.323 4.470 0.001 0.000 0.231 182 S C 1.706 176.255 174.600 -0.085 0.000 1.022 182 S CA 0.937 59.072 58.200 -0.109 0.000 0.983 182 S CB -0.212 62.877 63.200 -0.186 0.000 0.803 182 S HN 0.321 nan 8.310 nan 0.000 0.480 183 R N 1.388 121.879 120.500 -0.015 0.000 2.073 183 R HA -0.086 4.254 4.340 0.001 0.000 0.234 183 R C 2.356 178.598 176.300 -0.097 0.000 1.134 183 R CA 1.467 57.530 56.100 -0.061 0.000 0.952 183 R CB -0.528 29.744 30.300 -0.047 0.000 0.850 183 R HN 0.388 nan 8.270 nan 0.000 0.433 184 A N 0.717 123.497 122.820 -0.066 0.000 1.972 184 A HA -0.074 4.247 4.320 0.001 0.000 0.219 184 A C 2.317 179.869 177.584 -0.053 0.000 1.169 184 A CA 1.582 53.586 52.037 -0.055 0.000 0.635 184 A CB -0.607 18.371 19.000 -0.037 0.000 0.810 184 A HN 0.564 nan 8.150 nan 0.000 0.446 185 A N 0.389 123.164 122.820 -0.076 0.000 1.835 185 A HA -0.123 4.198 4.320 0.001 0.000 0.215 185 A C 2.110 179.645 177.584 -0.083 0.000 1.199 185 A CA 1.599 53.596 52.037 -0.067 0.000 0.615 185 A CB -0.775 18.159 19.000 -0.111 0.000 0.838 185 A HN 0.475 nan 8.150 nan 0.000 0.444 186 I N -0.151 120.242 120.570 -0.296 0.000 2.118 186 I HA -0.332 3.838 4.170 0.001 0.000 0.241 186 I C 2.354 178.432 176.117 -0.065 0.000 1.070 186 I CA 1.789 62.811 61.300 -0.463 0.000 1.327 186 I CB -0.648 36.877 38.000 -0.793 0.000 1.034 186 I HN 0.337 nan 8.210 nan 0.000 0.405 187 N N 1.255 119.908 118.700 -0.079 0.000 2.043 187 N HA -0.180 4.561 4.740 0.001 0.000 0.193 187 N C 1.569 177.101 175.510 0.036 0.000 1.037 187 N CA 1.392 54.429 53.050 -0.021 0.000 0.851 187 N CB -0.244 38.207 38.487 -0.060 0.000 1.027 187 N HN 0.284 nan 8.380 nan 0.000 0.422 188 K N -1.279 119.143 120.400 0.036 0.000 2.574 188 K HA -0.119 4.202 4.320 0.001 0.000 0.193 188 K C 1.278 177.949 176.600 0.118 0.000 1.035 188 K CA 0.291 56.606 56.287 0.047 0.000 0.982 188 K CB -0.032 32.488 32.500 0.033 0.000 0.795 188 K HN 0.372 nan 8.250 nan 0.000 0.491 189 W N -0.148 121.148 121.300 -0.008 0.000 2.580 189 W HA -0.051 4.609 4.660 0.001 0.000 0.287 189 W C 1.445 177.987 176.519 0.038 0.000 1.175 189 W CA 0.286 57.656 57.345 0.042 0.000 1.409 189 W CB 0.019 29.558 29.460 0.132 0.000 1.101 189 W HN -0.296 nan 8.180 nan 0.000 0.558 190 V N 0.145 120.177 119.914 0.196 0.000 2.379 190 V HA -0.223 3.898 4.120 0.001 0.000 0.245 190 V C 2.064 178.089 176.094 -0.115 0.000 1.044 190 V CA 2.057 64.362 62.300 0.007 0.000 1.036 190 V CB -1.246 30.679 31.823 0.170 0.000 0.664 190 V HN 0.221 nan 8.190 nan 0.000 0.453 191 S N -0.042 115.616 115.700 -0.069 0.000 2.803 191 S HA -0.064 4.407 4.470 0.001 0.000 0.226 191 S C 1.499 176.015 174.600 -0.140 0.000 0.962 191 S CA 0.722 58.861 58.200 -0.103 0.000 0.968 191 S CB -0.727 62.431 63.200 -0.070 0.000 0.786 191 S HN 0.706 nan 8.310 nan 0.000 0.527 192 N N 0.816 119.397 118.700 -0.198 0.000 2.804 192 N HA 0.065 4.805 4.740 0.001 0.000 0.233 192 N C 1.240 176.588 175.510 -0.271 0.000 1.020 192 N CA 0.139 53.056 53.050 -0.222 0.000 1.164 192 N CB -0.203 38.126 38.487 -0.263 0.000 1.571 192 N HN 0.078 nan 8.380 nan 0.000 0.551 193 K N 0.800 120.949 120.400 -0.417 0.000 2.189 193 K HA -0.122 4.198 4.320 0.001 0.000 0.207 193 K C 1.483 177.949 176.600 -0.223 0.000 1.046 193 K CA 1.794 57.859 56.287 -0.370 0.000 0.928 193 K CB -1.116 31.045 32.500 -0.564 0.000 0.720 193 K HN 0.592 nan 8.250 nan 0.000 0.458 194 T N -1.351 113.040 114.554 -0.271 0.000 3.278 194 T HA 0.144 4.495 4.350 0.001 0.000 0.251 194 T C -0.161 174.204 174.700 -0.558 0.000 1.039 194 T CA -0.310 61.525 62.100 -0.443 0.000 0.935 194 T CB -0.410 68.209 68.868 -0.415 0.000 1.034 194 T HN 0.231 nan 8.240 nan 0.000 0.575 195 E N 0.655 120.698 120.200 -0.261 0.000 2.222 195 E HA -0.177 4.173 4.350 0.001 0.000 0.189 195 E C 0.995 177.489 176.600 -0.176 0.000 1.415 195 E CA 0.275 56.582 56.400 -0.155 0.000 0.689 195 E CB -1.696 27.991 29.700 -0.023 0.000 1.107 195 E HN 0.921 nan 8.360 nan 0.000 0.350 196 G N 0.434 109.135 108.800 -0.165 0.000 2.380 196 G HA2 -0.410 3.550 3.960 0.001 0.000 0.298 196 G HA3 -0.410 3.550 3.960 0.001 0.000 0.298 196 G C 0.795 175.601 174.900 -0.156 0.000 0.989 196 G CA 1.256 46.275 45.100 -0.135 0.000 0.836 196 G HN 0.398 nan 8.290 nan 0.000 0.511 197 R N -0.379 119.978 120.500 -0.237 0.000 2.142 197 R HA 0.335 4.675 4.340 0.001 0.000 0.204 197 R C 1.388 177.580 176.300 -0.179 0.000 1.059 197 R CA 0.415 56.384 56.100 -0.217 0.000 1.055 197 R CB 0.084 30.215 30.300 -0.282 0.000 0.976 197 R HN 0.393 nan 8.270 nan 0.000 0.483 198 I N 1.933 122.417 120.570 -0.143 0.000 2.278 198 I HA 0.126 4.297 4.170 0.001 0.000 0.296 198 I C -0.210 175.869 176.117 -0.065 0.000 1.121 198 I CA -0.047 61.230 61.300 -0.039 0.000 1.267 198 I CB 1.072 39.098 38.000 0.043 0.000 1.447 198 I HN 0.047 nan 8.210 nan 0.000 0.509 199 T N 4.030 118.533 114.554 -0.085 0.000 2.867 199 T HA 0.191 4.542 4.350 0.001 0.000 0.282 199 T C -0.233 174.433 174.700 -0.056 0.000 1.000 199 T CA -0.061 61.994 62.100 -0.074 0.000 1.042 199 T CB 0.515 69.328 68.868 -0.092 0.000 0.973 199 T HN 0.686 nan 8.240 nan 0.000 0.465 200 D N 2.234 122.603 120.400 -0.052 0.000 2.848 200 D HA -0.135 4.505 4.640 0.001 0.000 0.245 200 D C 1.012 177.280 176.300 -0.054 0.000 1.122 200 D CA 0.413 54.378 54.000 -0.058 0.000 0.769 200 D CB -0.870 39.895 40.800 -0.059 0.000 1.025 200 D HN 0.277 nan 8.370 nan 0.000 0.423 201 V N 0.082 119.969 119.914 -0.046 0.000 2.244 201 V HA -0.137 3.984 4.120 0.001 0.000 0.244 201 V C 1.515 177.510 176.094 -0.165 0.000 1.042 201 V CA 1.246 63.531 62.300 -0.025 0.000 1.006 201 V CB -0.123 31.723 31.823 0.039 0.000 0.641 201 V HN 0.446 nan 8.190 nan 0.000 0.446 202 I N 1.888 122.266 120.570 -0.320 0.000 2.315 202 I HA 0.292 4.462 4.170 0.001 0.000 0.291 202 I C -2.446 173.462 176.117 -0.347 0.000 1.006 202 I CA -1.851 59.066 61.300 -0.639 0.000 1.265 202 I CB 1.362 38.905 38.000 -0.762 0.000 1.387 202 I HN 0.163 nan 8.210 nan 0.000 0.475 203 P HA 0.121 nan 4.420 nan 0.000 0.276 203 P C -0.526 176.707 177.300 -0.113 0.000 1.252 203 P CA -0.584 62.436 63.100 -0.134 0.000 0.802 203 P CB 0.682 32.343 31.700 -0.065 0.000 1.035 204 S N -0.058 115.601 115.700 -0.068 0.000 2.560 204 S HA 0.365 4.835 4.470 0.001 0.000 0.284 204 S C 0.957 175.540 174.600 -0.028 0.000 1.327 204 S CA 0.494 58.666 58.200 -0.047 0.000 1.055 204 S CB -0.790 62.391 63.200 -0.032 0.000 0.868 204 S HN 0.780 nan 8.310 nan 0.000 0.506 205 E N -0.177 120.012 120.200 -0.018 0.000 3.628 205 E HA -0.218 4.132 4.350 0.001 0.000 0.309 205 E C 0.943 177.553 176.600 0.017 0.000 0.839 205 E CA 1.683 58.084 56.400 0.001 0.000 1.123 205 E CB -2.325 27.378 29.700 0.006 0.000 1.568 205 E HN 1.922 nan 8.360 nan 0.000 0.440 206 A N -0.847 121.976 122.820 0.005 0.000 2.147 206 A HA 0.655 4.976 4.320 0.001 0.000 0.211 206 A C 1.096 178.728 177.584 0.081 0.000 1.160 206 A CA 1.119 53.202 52.037 0.076 0.000 0.781 206 A CB 0.397 19.408 19.000 0.018 0.000 0.842 206 A HN 0.944 nan 8.150 nan 0.000 0.475 207 I N 1.182 121.748 120.570 -0.006 0.000 2.499 207 I HA 0.293 4.464 4.170 0.001 0.000 0.288 207 I C -1.239 174.860 176.117 -0.031 0.000 1.048 207 I CA -0.828 60.436 61.300 -0.060 0.000 1.062 207 I CB 2.264 40.203 38.000 -0.101 0.000 1.238 207 I HN 0.418 nan 8.210 nan 0.000 0.426 208 N N 3.850 122.526 118.700 -0.041 0.000 2.761 208 N HA 0.255 4.995 4.740 0.001 0.000 0.283 208 N C 0.361 175.882 175.510 0.020 0.000 1.377 208 N CA -0.855 52.198 53.050 0.005 0.000 0.791 208 N CB 0.427 38.921 38.487 0.012 0.000 1.540 208 N HN 0.451 nan 8.380 nan 0.000 0.539 209 E N -0.120 120.109 120.200 0.048 0.000 2.501 209 E HA -0.119 4.232 4.350 0.001 0.000 0.203 209 E C 0.592 177.230 176.600 0.063 0.000 1.072 209 E CA 0.868 57.311 56.400 0.072 0.000 0.885 209 E CB -0.512 29.224 29.700 0.060 0.000 0.813 209 E HN 0.687 nan 8.360 nan 0.000 0.556 210 L N 0.700 121.944 121.223 0.034 0.000 2.640 210 L HA 0.125 4.465 4.340 0.001 0.000 0.230 210 L C 0.455 177.325 176.870 -0.001 0.000 1.123 210 L CA -0.065 54.799 54.840 0.040 0.000 0.900 210 L CB 0.266 42.356 42.059 0.051 0.000 1.146 210 L HN -0.138 nan 8.230 nan 0.000 0.484 211 T N 0.231 114.726 114.554 -0.098 0.000 2.853 211 T HA 0.087 4.437 4.350 0.001 0.000 0.298 211 T C 1.159 175.719 174.700 -0.234 0.000 0.978 211 T CA -0.088 61.841 62.100 -0.286 0.000 1.152 211 T CB 2.110 70.561 68.868 -0.694 0.000 0.914 211 T HN -0.132 nan 8.240 nan 0.000 0.539 212 V N 3.550 123.312 119.914 -0.254 0.000 2.502 212 V HA 0.323 4.443 4.120 0.001 0.000 0.234 212 V C 0.742 176.786 176.094 -0.083 0.000 1.072 212 V CA 0.397 62.592 62.300 -0.176 0.000 1.094 212 V CB -0.053 31.497 31.823 -0.455 0.000 0.761 212 V HN 0.623 nan 8.190 nan 0.000 0.489 213 L N 0.733 121.821 121.223 -0.224 0.000 2.365 213 L HA 0.650 4.990 4.340 0.001 0.000 0.273 213 L C -1.598 175.233 176.870 -0.064 0.000 1.000 213 L CA -0.327 54.460 54.840 -0.088 0.000 0.819 213 L CB 2.127 44.099 42.059 -0.145 0.000 1.284 213 L HN 0.047 nan 8.230 nan 0.000 0.418 214 V N 4.886 124.847 119.914 0.078 0.000 2.656 214 V HA 0.446 4.566 4.120 0.001 0.000 0.307 214 V C -0.796 175.402 176.094 0.174 0.000 1.051 214 V CA -0.633 61.751 62.300 0.139 0.000 0.893 214 V CB 2.330 34.295 31.823 0.237 0.000 0.999 214 V HN 0.498 nan 8.190 nan 0.000 0.426 215 L N 5.575 126.862 121.223 0.107 0.000 2.333 215 L HA 0.785 5.126 4.340 0.001 0.000 0.280 215 L C -0.569 176.405 176.870 0.174 0.000 1.004 215 L CA -0.038 54.819 54.840 0.028 0.000 0.820 215 L CB 1.683 43.624 42.059 -0.197 0.000 1.247 215 L HN 0.505 nan 8.230 nan 0.000 0.416 216 V N 5.526 125.575 119.914 0.226 0.000 2.960 216 V HA 0.836 4.957 4.120 0.001 0.000 0.315 216 V C -1.409 174.818 176.094 0.221 0.000 1.087 216 V CA -0.228 62.267 62.300 0.325 0.000 0.982 216 V CB 2.334 34.417 31.823 0.433 0.000 1.039 216 V HN 1.074 nan 8.190 nan 0.000 0.437 217 N N 1.460 120.315 118.700 0.258 0.000 2.999 217 N HA 0.543 5.284 4.740 0.001 0.000 0.244 217 N C -1.183 174.464 175.510 0.228 0.000 1.106 217 N CA -0.145 53.038 53.050 0.221 0.000 1.018 217 N CB 1.748 40.336 38.487 0.169 0.000 1.600 217 N HN 0.830 nan 8.380 nan 0.000 0.621 218 T N -0.276 114.401 114.554 0.206 0.000 2.894 218 T HA 0.665 5.015 4.350 0.001 0.000 0.309 218 T C -0.998 173.846 174.700 0.240 0.000 1.208 218 T CA -0.721 61.487 62.100 0.180 0.000 1.016 218 T CB 1.231 70.194 68.868 0.157 0.000 1.192 218 T HN 0.490 nan 8.240 nan 0.000 0.491 219 I N 2.090 122.867 120.570 0.344 0.000 2.545 219 I HA 0.506 4.677 4.170 0.001 0.000 0.292 219 I C -1.550 174.921 176.117 0.590 0.000 1.040 219 I CA -1.177 60.362 61.300 0.397 0.000 1.068 219 I CB 2.306 40.462 38.000 0.260 0.000 1.251 219 I HN 0.755 nan 8.210 nan 0.000 0.424 220 Y N 7.024 127.511 120.300 0.311 0.000 2.341 220 Y HA 0.537 5.088 4.550 0.001 0.000 0.338 220 Y C -1.712 174.354 175.900 0.277 0.000 0.965 220 Y CA -1.481 56.751 58.100 0.219 0.000 1.108 220 Y CB 1.460 39.987 38.460 0.113 0.000 1.180 220 Y HN 0.373 nan 8.280 nan 0.000 0.458 221 F N 5.689 125.479 119.950 -0.268 0.000 2.499 221 F HA 0.538 5.065 4.527 0.001 0.000 0.333 221 F C -1.548 173.890 175.800 -0.604 0.000 1.138 221 F CA -0.667 57.127 58.000 -0.342 0.000 0.945 221 F CB 1.074 40.074 39.000 0.001 0.000 1.181 221 F HN 0.283 nan 8.300 nan 0.000 0.435 222 K N 4.045 123.592 120.400 -1.421 0.000 2.274 222 K HA 0.916 5.236 4.320 0.001 0.000 0.262 222 K C -0.617 175.145 176.600 -1.396 0.000 0.961 222 K CA -0.068 55.521 56.287 -1.163 0.000 0.833 222 K CB 1.056 33.114 32.500 -0.737 0.000 1.102 222 K HN 1.226 nan 8.250 nan 0.000 0.436 223 G N 2.337 110.431 108.800 -1.177 0.000 2.673 223 G HA2 0.557 4.517 3.960 0.001 0.000 0.292 223 G HA3 0.557 4.517 3.960 0.001 0.000 0.292 223 G C -1.552 173.141 174.900 -0.345 0.000 1.450 223 G CA -0.845 43.741 45.100 -0.858 0.000 0.837 223 G HN 0.649 nan 8.290 nan 0.000 0.505 224 L N 0.074 121.267 121.223 -0.051 0.000 2.334 224 L HA 0.505 4.846 4.340 0.001 0.000 0.276 224 L C -0.275 176.768 176.870 0.289 0.000 1.014 224 L CA -0.906 53.967 54.840 0.056 0.000 0.815 224 L CB 1.984 44.081 42.059 0.062 0.000 1.268 224 L HN 0.633 nan 8.230 nan 0.000 0.428 225 W N 2.173 123.659 121.300 0.309 0.000 2.231 225 W HA 0.010 4.671 4.660 0.001 0.000 0.341 225 W C 1.513 178.104 176.519 0.120 0.000 1.298 225 W CA -0.189 57.256 57.345 0.167 0.000 1.266 225 W CB 0.704 30.239 29.460 0.124 0.000 1.172 225 W HN 0.613 nan 8.180 nan 0.000 0.568 226 K N 1.038 121.658 120.400 0.366 0.000 2.217 226 K HA -0.104 4.216 4.320 0.001 0.000 0.202 226 K C 0.680 177.366 176.600 0.143 0.000 1.051 226 K CA 1.077 57.488 56.287 0.207 0.000 0.952 226 K CB 0.065 32.655 32.500 0.150 0.000 0.736 226 K HN 0.243 nan 8.250 nan 0.000 0.453 227 S N 1.064 116.850 115.700 0.144 0.000 2.395 227 S HA 0.259 4.729 4.470 0.001 0.000 0.207 227 S C -1.192 173.376 174.600 -0.052 0.000 1.454 227 S CA -0.895 57.313 58.200 0.013 0.000 1.211 227 S CB 0.319 63.474 63.200 -0.075 0.000 1.093 227 S HN 0.179 nan 8.310 nan 0.000 0.472 228 K N 1.899 122.366 120.400 0.111 0.000 2.344 228 K HA 0.223 4.544 4.320 0.001 0.000 0.260 228 K C -0.633 175.964 176.600 -0.006 0.000 0.988 228 K CA 0.263 56.683 56.287 0.221 0.000 0.909 228 K CB 0.295 32.965 32.500 0.283 0.000 0.968 228 K HN 0.383 nan 8.250 nan 0.000 0.505 229 F N -0.129 119.887 119.950 0.111 0.000 2.425 229 F HA 0.168 4.695 4.527 0.001 0.000 0.331 229 F C 0.891 176.750 175.800 0.099 0.000 1.085 229 F CA -0.713 57.325 58.000 0.063 0.000 1.028 229 F CB 1.763 40.786 39.000 0.038 0.000 1.177 229 F HN 0.315 nan 8.300 nan 0.000 0.487 230 S N 3.253 119.115 115.700 0.270 0.000 2.439 230 S HA 0.264 4.735 4.470 0.001 0.000 0.282 230 S C -1.736 172.972 174.600 0.181 0.000 1.170 230 S CA -1.494 56.820 58.200 0.190 0.000 1.054 230 S CB 0.805 64.092 63.200 0.145 0.000 0.956 230 S HN 0.318 nan 8.310 nan 0.000 0.490 231 P HA -0.120 nan 4.420 nan 0.000 0.217 231 P C 0.677 178.027 177.300 0.084 0.000 1.148 231 P CA 1.065 64.230 63.100 0.108 0.000 0.834 231 P CB 0.142 31.895 31.700 0.088 0.000 0.783 232 E N -1.508 118.741 120.200 0.081 0.000 2.418 232 E HA -0.066 4.285 4.350 0.001 0.000 0.197 232 E C 1.395 178.027 176.600 0.054 0.000 1.026 232 E CA 0.634 57.069 56.400 0.058 0.000 0.862 232 E CB -0.762 28.969 29.700 0.052 0.000 0.799 232 E HN 0.336 nan 8.360 nan 0.000 0.518 233 N N -0.441 118.314 118.700 0.091 0.000 2.322 233 N HA 0.022 4.762 4.740 0.001 0.000 0.181 233 N C 0.030 175.588 175.510 0.081 0.000 1.088 233 N CA 0.260 53.366 53.050 0.094 0.000 0.885 233 N CB 0.357 38.981 38.487 0.228 0.000 1.013 233 N HN 0.034 nan 8.380 nan 0.000 0.472 234 T N 1.690 116.294 114.554 0.083 0.000 2.937 234 T HA 0.188 4.539 4.350 0.001 0.000 0.316 234 T C 0.499 175.205 174.700 0.011 0.000 1.079 234 T CA 0.478 62.605 62.100 0.046 0.000 1.131 234 T CB 0.890 69.781 68.868 0.037 0.000 1.000 234 T HN 0.111 nan 8.240 nan 0.000 0.549 235 R N 0.530 121.025 120.500 -0.007 0.000 2.692 235 R HA 0.287 4.628 4.340 0.001 0.000 0.269 235 R C -1.169 175.125 176.300 -0.010 0.000 1.030 235 R CA -1.066 55.023 56.100 -0.018 0.000 0.882 235 R CB 1.282 31.554 30.300 -0.047 0.000 1.250 235 R HN 0.301 nan 8.270 nan 0.000 0.465 236 K N 2.635 123.032 120.400 -0.006 0.000 2.310 236 K HA 0.231 4.551 4.320 0.001 0.000 0.290 236 K C -0.655 175.947 176.600 0.004 0.000 1.077 236 K CA 0.301 56.589 56.287 0.002 0.000 0.922 236 K CB 0.848 33.349 32.500 0.002 0.000 1.057 236 K HN 0.532 nan 8.250 nan 0.000 0.479 237 E N 2.012 122.220 120.200 0.013 0.000 2.433 237 E HA 0.380 4.731 4.350 0.001 0.000 0.273 237 E C -0.491 176.110 176.600 0.001 0.000 0.950 237 E CA -1.000 55.413 56.400 0.022 0.000 0.796 237 E CB 1.686 31.413 29.700 0.045 0.000 1.330 237 E HN 0.238 nan 8.360 nan 0.000 0.455 238 L N 2.043 123.236 121.223 -0.049 0.000 2.360 238 L HA 0.290 4.630 4.340 0.001 0.000 0.276 238 L C -0.604 176.017 176.870 -0.414 0.000 1.121 238 L CA -0.187 54.499 54.840 -0.257 0.000 0.845 238 L CB 0.080 41.905 42.059 -0.390 0.000 1.143 238 L HN 0.390 nan 8.230 nan 0.000 0.452 239 F N 4.146 123.812 119.950 -0.475 0.000 2.426 239 F HA 0.405 4.933 4.527 0.001 0.000 0.348 239 F C -0.772 174.755 175.800 -0.455 0.000 1.124 239 F CA -0.721 57.075 58.000 -0.339 0.000 1.008 239 F CB 0.719 39.653 39.000 -0.110 0.000 1.139 239 F HN 0.183 nan 8.300 nan 0.000 0.452 240 Y N 5.889 125.940 120.300 -0.416 0.000 2.425 240 Y HA 0.351 4.901 4.550 0.001 0.000 0.347 240 Y C 0.468 176.188 175.900 -0.300 0.000 0.976 240 Y CA -0.702 57.251 58.100 -0.245 0.000 1.190 240 Y CB 0.510 38.846 38.460 -0.206 0.000 1.136 240 Y HN 0.432 nan 8.280 nan 0.000 0.517 241 K N 1.322 121.779 120.400 0.094 0.000 2.120 241 K HA 0.410 4.730 4.320 0.001 0.000 0.245 241 K C 1.017 177.665 176.600 0.079 0.000 1.024 241 K CA 0.122 56.505 56.287 0.160 0.000 0.906 241 K CB 0.751 33.366 32.500 0.192 0.000 1.051 241 K HN 0.763 nan 8.250 nan 0.000 0.491 242 A N 1.547 124.411 122.820 0.074 0.000 1.933 242 A HA -0.176 4.144 4.320 0.001 0.000 0.218 242 A C 1.260 178.866 177.584 0.036 0.000 1.175 242 A CA 2.076 54.138 52.037 0.041 0.000 0.628 242 A CB -0.746 18.277 19.000 0.039 0.000 0.814 242 A HN 0.883 nan 8.150 nan 0.000 0.444 243 D N -1.603 118.823 120.400 0.044 0.000 2.370 243 D HA 0.288 4.928 4.640 0.001 0.000 0.256 243 D C 1.157 177.480 176.300 0.038 0.000 1.197 243 D CA 0.979 55.000 54.000 0.035 0.000 0.922 243 D CB -0.834 39.986 40.800 0.033 0.000 0.911 243 D HN 0.685 nan 8.370 nan 0.000 0.517 244 G N -0.627 108.199 108.800 0.043 0.000 2.435 244 G HA2 -0.343 3.618 3.960 0.001 0.000 0.245 244 G HA3 -0.343 3.618 3.960 0.001 0.000 0.245 244 G C 0.305 175.252 174.900 0.078 0.000 1.073 244 G CA 0.308 45.437 45.100 0.048 0.000 0.638 244 G HN 0.431 nan 8.290 nan 0.000 0.521 245 E N 1.512 121.755 120.200 0.072 0.000 2.383 245 E HA 0.497 4.848 4.350 0.001 0.000 0.264 245 E C 0.859 177.519 176.600 0.100 0.000 1.050 245 E CA 0.636 57.083 56.400 0.078 0.000 0.896 245 E CB 1.396 31.129 29.700 0.056 0.000 0.982 245 E HN 0.729 nan 8.360 nan 0.000 0.424 246 S N 0.900 116.653 115.700 0.088 0.000 2.766 246 S HA 0.785 5.256 4.470 0.001 0.000 0.307 246 S C -0.037 174.567 174.600 0.006 0.000 1.121 246 S CA -0.624 57.590 58.200 0.024 0.000 0.980 246 S CB 1.249 64.419 63.200 -0.049 0.000 1.159 246 S HN 0.747 nan 8.310 nan 0.000 0.546 247 c N -1.078 117.504 118.600 -0.031 0.000 3.303 247 c HA 0.798 5.369 4.570 0.001 0.000 0.340 247 c C -0.165 173.914 174.090 -0.019 0.000 1.274 247 c CA -0.822 55.504 56.329 -0.005 0.000 1.234 247 c CB 0.663 43.186 42.510 0.022 0.000 1.532 247 c HN 0.929 nan 8.230 nan 0.000 0.483 248 S N 0.601 116.293 115.700 -0.014 0.000 2.565 248 S HA 0.761 5.232 4.470 0.001 0.000 0.274 248 S C 0.038 174.637 174.600 -0.002 0.000 1.309 248 S CA 0.527 58.721 58.200 -0.010 0.000 1.043 248 S CB 0.449 63.645 63.200 -0.007 0.000 0.939 248 S HN 2.122 nan 8.310 nan 0.000 0.504 249 A N 3.121 125.950 122.820 0.014 0.000 2.539 249 A HA 0.671 4.991 4.320 0.001 0.000 0.296 249 A C -0.545 177.056 177.584 0.027 0.000 1.073 249 A CA -0.716 51.330 52.037 0.015 0.000 0.700 249 A CB 1.475 20.491 19.000 0.026 0.000 1.296 249 A HN 0.663 nan 8.150 nan 0.000 0.405 250 S N 1.339 117.054 115.700 0.025 0.000 2.494 250 S HA 0.298 4.768 4.470 0.001 0.000 0.312 250 S C -0.041 174.576 174.600 0.029 0.000 1.121 250 S CA -0.007 58.206 58.200 0.021 0.000 1.068 250 S CB -0.518 62.692 63.200 0.016 0.000 1.141 250 S HN 0.559 nan 8.310 nan 0.000 0.527 251 M N 4.732 124.346 119.600 0.024 0.000 2.120 251 M HA 0.355 4.835 4.480 0.001 0.000 0.354 251 M C -0.383 175.910 176.300 -0.011 0.000 1.287 251 M CA 0.119 55.432 55.300 0.022 0.000 1.103 251 M CB 0.119 32.724 32.600 0.008 0.000 1.623 251 M HN 0.507 nan 8.290 nan 0.000 0.471 252 M N 4.021 123.591 119.600 -0.051 0.000 2.274 252 M HA 0.312 4.793 4.480 0.001 0.000 0.344 252 M C -1.089 175.280 176.300 0.115 0.000 1.161 252 M CA -0.406 54.844 55.300 -0.083 0.000 1.126 252 M CB 1.119 33.405 32.600 -0.523 0.000 1.522 252 M HN 0.613 nan 8.290 nan 0.000 0.461 253 Y N 1.402 121.790 120.300 0.148 0.000 2.524 253 Y HA 0.569 5.120 4.550 0.001 0.000 0.344 253 Y C -0.838 175.258 175.900 0.327 0.000 1.012 253 Y CA -0.436 57.789 58.100 0.208 0.000 1.068 253 Y CB 1.811 40.311 38.460 0.067 0.000 1.249 253 Y HN 0.719 nan 8.280 nan 0.000 0.468 254 Q N 3.568 123.087 119.800 -0.468 0.000 2.574 254 Q HA 0.274 4.615 4.340 0.001 0.000 0.265 254 Q C -2.317 173.419 176.000 -0.438 0.000 0.975 254 Q CA -0.719 54.886 55.803 -0.330 0.000 0.923 254 Q CB 1.714 30.193 28.738 -0.432 0.000 1.518 254 Q HN 0.797 nan 8.270 nan 0.000 0.401 255 E N 1.706 121.800 120.200 -0.177 0.000 2.234 255 E HA 0.780 5.131 4.350 0.001 0.000 0.266 255 E C -1.064 175.539 176.600 0.005 0.000 0.877 255 E CA -0.481 55.878 56.400 -0.067 0.000 0.758 255 E CB 1.799 31.494 29.700 -0.008 0.000 1.170 255 E HN 0.839 nan 8.360 nan 0.000 0.415 256 G N 1.284 110.109 108.800 0.042 0.000 2.428 256 G HA2 0.175 4.135 3.960 0.001 0.000 0.304 256 G HA3 0.175 4.135 3.960 0.001 0.000 0.304 256 G C -1.491 173.213 174.900 -0.327 0.000 1.303 256 G CA -0.716 44.253 45.100 -0.218 0.000 0.825 256 G HN 0.282 nan 8.290 nan 0.000 0.484 257 K N -0.276 119.803 120.400 -0.535 0.000 2.201 257 K HA 0.765 5.085 4.320 0.001 0.000 0.278 257 K C -1.351 174.814 176.600 -0.725 0.000 1.027 257 K CA -0.368 55.677 56.287 -0.404 0.000 0.909 257 K CB 0.812 33.151 32.500 -0.268 0.000 1.062 257 K HN 0.382 nan 8.250 nan 0.000 0.465 258 F N 0.062 119.939 119.950 -0.120 0.000 2.613 258 F HA 0.446 4.973 4.527 0.001 0.000 0.310 258 F C 0.643 176.406 175.800 -0.063 0.000 1.085 258 F CA -1.280 56.648 58.000 -0.121 0.000 0.945 258 F CB 1.702 40.593 39.000 -0.183 0.000 1.298 258 F HN 0.237 nan 8.300 nan 0.000 0.455 259 R N 1.674 122.263 120.500 0.149 0.000 2.370 259 R HA 0.240 4.580 4.340 0.001 0.000 0.309 259 R C -1.382 174.995 176.300 0.128 0.000 1.059 259 R CA -0.066 56.091 56.100 0.096 0.000 0.981 259 R CB 0.385 30.717 30.300 0.054 0.000 0.972 259 R HN 0.668 nan 8.270 nan 0.000 0.437 260 Y N 1.796 122.081 120.300 -0.025 0.000 2.605 260 Y HA 0.564 5.114 4.550 0.001 0.000 0.343 260 Y C -1.017 174.858 175.900 -0.042 0.000 1.036 260 Y CA -1.356 56.711 58.100 -0.055 0.000 1.065 260 Y CB 1.967 40.397 38.460 -0.049 0.000 1.288 260 Y HN 0.432 nan 8.280 nan 0.000 0.481 261 R N 3.208 123.179 120.500 -0.882 0.000 2.725 261 R HA 0.285 4.626 4.340 0.001 0.000 0.276 261 R C -2.144 173.679 176.300 -0.795 0.000 1.189 261 R CA -0.594 55.147 56.100 -0.598 0.000 1.083 261 R CB 0.807 30.925 30.300 -0.303 0.000 1.262 261 R HN 0.828 nan 8.270 nan 0.000 0.415 262 R N 4.226 124.415 120.500 -0.518 0.000 2.202 262 R HA 0.445 4.785 4.340 0.001 0.000 0.334 262 R C 0.438 176.593 176.300 -0.243 0.000 1.036 262 R CA -0.374 55.537 56.100 -0.315 0.000 0.878 262 R CB 0.590 30.876 30.300 -0.023 0.000 1.067 262 R HN 0.523 nan 8.270 nan 0.000 0.457 263 V N 1.798 121.515 119.914 -0.329 0.000 4.813 263 V HA 0.692 4.812 4.120 0.001 0.000 0.275 263 V C 0.295 176.320 176.094 -0.116 0.000 1.377 263 V CA -0.524 61.618 62.300 -0.263 0.000 0.774 263 V CB 0.169 31.644 31.823 -0.579 0.000 1.308 263 V HN 0.752 nan 8.190 nan 0.000 0.426 264 A N -0.321 122.486 122.820 -0.021 0.000 2.488 264 A HA 0.395 4.716 4.320 0.001 0.000 0.249 264 A C 0.612 178.200 177.584 0.006 0.000 1.083 264 A CA 0.704 52.764 52.037 0.037 0.000 0.768 264 A CB -1.140 17.934 19.000 0.124 0.000 1.017 264 A HN 1.194 nan 8.150 nan 0.000 0.496 265 E N 0.859 121.062 120.200 0.005 0.000 2.513 265 E HA -0.241 4.110 4.350 0.001 0.000 0.257 265 E C 0.981 177.566 176.600 -0.025 0.000 1.098 265 E CA 1.077 57.476 56.400 -0.002 0.000 0.752 265 E CB -1.847 27.862 29.700 0.015 0.000 1.324 265 E HN 2.236 nan 8.360 nan 0.000 0.403 266 G N -0.714 108.062 108.800 -0.040 0.000 2.189 266 G HA2 -0.383 3.577 3.960 0.001 0.000 0.267 266 G HA3 -0.383 3.577 3.960 0.001 0.000 0.267 266 G C 0.432 175.282 174.900 -0.083 0.000 0.975 266 G CA 0.633 45.703 45.100 -0.050 0.000 0.644 266 G HN 0.339 nan 8.290 nan 0.000 0.537 267 T N 1.567 116.049 114.554 -0.120 0.000 2.853 267 T HA 0.416 4.767 4.350 0.001 0.000 0.298 267 T C 0.479 175.026 174.700 -0.255 0.000 0.978 267 T CA 0.504 62.500 62.100 -0.174 0.000 1.152 267 T CB 0.817 69.554 68.868 -0.219 0.000 0.914 267 T HN 0.471 nan 8.240 nan 0.000 0.539 268 Q N 1.919 121.616 119.800 -0.172 0.000 2.256 268 Q HA 0.567 4.908 4.340 0.001 0.000 0.257 268 Q C -0.870 175.045 176.000 -0.142 0.000 0.936 268 Q CA -0.818 54.886 55.803 -0.166 0.000 0.903 268 Q CB 1.883 30.726 28.738 0.175 0.000 1.263 268 Q HN 0.393 nan 8.270 nan 0.000 0.440 269 V N 3.476 123.172 119.914 -0.363 0.000 2.417 269 V HA 0.437 4.558 4.120 0.001 0.000 0.291 269 V C -0.928 175.019 176.094 -0.244 0.000 1.024 269 V CA -0.760 61.394 62.300 -0.243 0.000 0.861 269 V CB 1.374 33.021 31.823 -0.293 0.000 0.985 269 V HN 0.528 nan 8.190 nan 0.000 0.436 270 L N 4.286 125.401 121.223 -0.180 0.000 2.385 270 L HA 0.660 5.001 4.340 0.001 0.000 0.273 270 L C -0.512 176.240 176.870 -0.196 0.000 0.990 270 L CA -0.141 54.511 54.840 -0.313 0.000 0.821 270 L CB 1.896 43.413 42.059 -0.904 0.000 1.279 270 L HN 0.797 nan 8.230 nan 0.000 0.412 271 E N 4.865 124.992 120.200 -0.123 0.000 2.158 271 E HA 0.564 4.915 4.350 0.001 0.000 0.271 271 E C -1.728 174.842 176.600 -0.050 0.000 0.911 271 E CA -0.600 55.773 56.400 -0.045 0.000 0.767 271 E CB 1.184 30.894 29.700 0.016 0.000 1.120 271 E HN 0.707 nan 8.360 nan 0.000 0.405 272 L N 7.139 128.318 121.223 -0.073 0.000 2.342 272 L HA 0.490 4.830 4.340 0.001 0.000 0.276 272 L C -2.229 174.639 176.870 -0.003 0.000 0.997 272 L CA -2.057 52.712 54.840 -0.117 0.000 0.838 272 L CB 1.550 43.329 42.059 -0.467 0.000 1.224 272 L HN 0.428 nan 8.230 nan 0.000 0.416 273 P HA 0.282 nan 4.420 nan 0.000 0.279 273 P C -0.920 176.438 177.300 0.097 0.000 1.252 273 P CA -0.276 62.872 63.100 0.080 0.000 0.811 273 P CB 1.089 32.854 31.700 0.108 0.000 1.035 274 F N 0.211 120.350 119.950 0.315 0.000 2.411 274 F HA 0.300 4.828 4.527 0.001 0.000 0.324 274 F C 1.606 177.525 175.800 0.199 0.000 1.086 274 F CA -0.820 57.352 58.000 0.287 0.000 1.028 274 F CB 0.703 39.876 39.000 0.289 0.000 1.284 274 F HN 0.009 nan 8.300 nan 0.000 0.501 275 K N 1.478 122.103 120.400 0.375 0.000 2.366 275 K HA 0.176 4.496 4.320 0.001 0.000 0.279 275 K C 0.669 177.384 176.600 0.192 0.000 1.098 275 K CA 1.049 57.467 56.287 0.219 0.000 1.087 275 K CB -0.394 32.200 32.500 0.156 0.000 0.901 275 K HN 0.971 nan 8.250 nan 0.000 0.463 276 G N 2.515 111.408 108.800 0.155 0.000 2.905 276 G HA2 -0.191 3.770 3.960 0.001 0.000 0.196 276 G HA3 -0.191 3.770 3.960 0.001 0.000 0.196 276 G C 0.117 175.088 174.900 0.119 0.000 1.044 276 G CA -0.042 45.134 45.100 0.126 0.000 0.778 276 G HN 0.679 nan 8.290 nan 0.000 0.474 277 D N 0.317 120.809 120.400 0.152 0.000 3.077 277 D HA -0.153 4.487 4.640 0.001 0.000 0.212 277 D C 0.638 177.005 176.300 0.112 0.000 1.125 277 D CA 1.690 55.764 54.000 0.123 0.000 0.970 277 D CB -1.168 39.679 40.800 0.079 0.000 1.110 277 D HN 0.638 nan 8.370 nan 0.000 0.419 278 D N -0.305 120.172 120.400 0.127 0.000 2.380 278 D HA 0.246 4.887 4.640 0.001 0.000 0.212 278 D C 0.902 177.264 176.300 0.103 0.000 1.021 278 D CA 0.456 54.512 54.000 0.092 0.000 0.884 278 D CB 0.942 41.785 40.800 0.072 0.000 1.001 278 D HN 0.282 nan 8.370 nan 0.000 0.506 279 I N 0.965 121.643 120.570 0.180 0.000 2.465 279 I HA 0.358 4.529 4.170 0.001 0.000 0.291 279 I C -0.445 175.919 176.117 0.411 0.000 1.014 279 I CA -0.550 60.870 61.300 0.200 0.000 1.093 279 I CB 2.106 40.154 38.000 0.080 0.000 1.267 279 I HN -0.096 nan 8.210 nan 0.000 0.431 280 T N 2.974 117.713 114.554 0.308 0.000 2.864 280 T HA 0.608 4.959 4.350 0.001 0.000 0.299 280 T C -0.830 174.037 174.700 0.279 0.000 1.166 280 T CA -0.885 61.365 62.100 0.249 0.000 1.007 280 T CB 2.143 71.097 68.868 0.142 0.000 1.219 280 T HN 0.538 nan 8.240 nan 0.000 0.506 281 M N 2.608 122.344 119.600 0.227 0.000 2.227 281 M HA 0.641 5.122 4.480 0.001 0.000 0.335 281 M C -1.709 174.731 176.300 0.234 0.000 1.053 281 M CA -0.749 54.751 55.300 0.333 0.000 0.973 281 M CB 1.234 34.118 32.600 0.474 0.000 1.623 281 M HN 0.614 nan 8.290 nan 0.000 0.434 282 V N 6.492 126.574 119.914 0.280 0.000 2.398 282 V HA 0.457 4.577 4.120 0.001 0.000 0.286 282 V C -0.294 175.981 176.094 0.301 0.000 1.026 282 V CA -0.733 61.699 62.300 0.220 0.000 0.868 282 V CB 1.447 33.382 31.823 0.187 0.000 0.982 282 V HN 0.776 nan 8.190 nan 0.000 0.443 283 L N 5.577 126.907 121.223 0.178 0.000 2.295 283 L HA 0.598 4.939 4.340 0.001 0.000 0.285 283 L C -0.887 176.122 176.870 0.232 0.000 1.035 283 L CA -0.622 54.348 54.840 0.217 0.000 0.806 283 L CB 1.782 43.881 42.059 0.068 0.000 1.214 283 L HN 0.454 nan 8.230 nan 0.000 0.426 284 I N 4.479 125.233 120.570 0.307 0.000 2.371 284 I HA 0.267 4.437 4.170 0.001 0.000 0.282 284 I C -0.492 175.754 176.117 0.214 0.000 1.031 284 I CA -0.070 61.363 61.300 0.222 0.000 1.180 284 I CB 1.470 39.666 38.000 0.325 0.000 1.336 284 I HN 0.334 nan 8.210 nan 0.000 0.467 285 L N 10.292 131.598 121.223 0.138 0.000 2.294 285 L HA 0.718 5.059 4.340 0.001 0.000 0.283 285 L C -2.455 174.398 176.870 -0.028 0.000 1.015 285 L CA -1.689 53.193 54.840 0.070 0.000 0.831 285 L CB 1.136 43.129 42.059 -0.110 0.000 1.217 285 L HN 0.258 nan 8.230 nan 0.000 0.420 286 P HA 0.200 nan 4.420 nan 0.000 0.277 286 P C -1.218 176.047 177.300 -0.057 0.000 1.240 286 P CA -0.595 62.491 63.100 -0.024 0.000 0.798 286 P CB 0.781 32.493 31.700 0.020 0.000 0.979 287 K N 2.761 123.122 120.400 -0.064 0.000 2.336 287 K HA 0.086 4.406 4.320 0.001 0.000 0.262 287 K C -1.888 174.667 176.600 -0.075 0.000 0.992 287 K CA -1.038 55.202 56.287 -0.078 0.000 0.927 287 K CB -1.083 31.378 32.500 -0.064 0.000 0.956 287 K HN 0.142 nan 8.250 nan 0.000 0.495 288 P HA -0.298 nan 4.420 nan 0.000 0.221 288 P C 0.480 177.729 177.300 -0.085 0.000 1.160 288 P CA 1.962 64.999 63.100 -0.106 0.000 0.933 288 P CB 0.076 31.700 31.700 -0.126 0.000 0.793 289 E N -0.293 119.866 120.200 -0.069 0.000 2.006 289 E HA -0.002 4.349 4.350 0.001 0.000 0.192 289 E C 1.256 177.836 176.600 -0.034 0.000 0.993 289 E CA 1.257 57.626 56.400 -0.052 0.000 0.808 289 E CB -1.578 28.096 29.700 -0.044 0.000 0.764 289 E HN 0.174 nan 8.360 nan 0.000 0.449 290 K N 1.581 121.965 120.400 -0.025 0.000 2.561 290 K HA 0.081 4.401 4.320 0.001 0.000 0.280 290 K C 0.403 177.003 176.600 -0.001 0.000 0.975 290 K CA 0.642 56.924 56.287 -0.008 0.000 1.024 290 K CB -0.102 32.397 32.500 -0.002 0.000 0.883 290 K HN 0.187 nan 8.250 nan 0.000 0.496 291 S N 1.212 116.919 115.700 0.012 0.000 2.562 291 S HA 0.323 4.793 4.470 0.001 0.000 0.275 291 S C 1.093 175.718 174.600 0.042 0.000 1.281 291 S CA -0.486 57.726 58.200 0.020 0.000 1.045 291 S CB 0.841 64.052 63.200 0.019 0.000 0.962 291 S HN 0.748 nan 8.310 nan 0.000 0.503 292 L N 5.375 126.628 121.223 0.050 0.000 2.201 292 L HA 0.180 4.520 4.340 0.001 0.000 0.212 292 L C 2.435 179.359 176.870 0.089 0.000 1.105 292 L CA 2.172 57.060 54.840 0.079 0.000 0.775 292 L CB -1.260 40.849 42.059 0.083 0.000 0.913 292 L HN 0.914 nan 8.230 nan 0.000 0.440 293 A N -0.031 122.827 122.820 0.064 0.000 1.892 293 A HA -0.272 4.049 4.320 0.001 0.000 0.218 293 A C 2.596 180.217 177.584 0.062 0.000 1.188 293 A CA 2.838 54.909 52.037 0.056 0.000 0.631 293 A CB -1.017 18.000 19.000 0.028 0.000 0.822 293 A HN 0.429 nan 8.150 nan 0.000 0.447 294 K N -0.653 119.781 120.400 0.058 0.000 2.009 294 K HA -0.042 4.278 4.320 0.001 0.000 0.210 294 K C 2.081 178.736 176.600 0.092 0.000 1.049 294 K CA 1.863 58.187 56.287 0.061 0.000 0.929 294 K CB -1.705 30.827 32.500 0.053 0.000 0.714 294 K HN 0.399 nan 8.250 nan 0.000 0.440 295 V N 1.974 121.960 119.914 0.119 0.000 2.282 295 V HA -0.355 3.765 4.120 0.001 0.000 0.249 295 V C 2.504 178.708 176.094 0.182 0.000 1.057 295 V CA 2.557 64.965 62.300 0.180 0.000 1.032 295 V CB -0.764 31.178 31.823 0.198 0.000 0.645 295 V HN 0.693 nan 8.190 nan 0.000 0.447 296 E N 0.413 120.715 120.200 0.170 0.000 2.085 296 E HA -0.259 4.091 4.350 0.001 0.000 0.194 296 E C 2.485 179.172 176.600 0.144 0.000 0.994 296 E CA 1.836 58.355 56.400 0.198 0.000 0.801 296 E CB -0.309 29.528 29.700 0.229 0.000 0.743 296 E HN 0.729 nan 8.360 nan 0.000 0.453 297 K N 1.195 121.651 120.400 0.094 0.000 2.148 297 K HA -0.107 4.214 4.320 0.001 0.000 0.204 297 K C 1.888 178.515 176.600 0.044 0.000 1.050 297 K CA 1.465 57.784 56.287 0.054 0.000 0.942 297 K CB -0.733 31.787 32.500 0.032 0.000 0.724 297 K HN 0.040 nan 8.250 nan 0.000 0.446 298 E N -0.527 119.709 120.200 0.060 0.000 2.347 298 E HA 0.073 4.424 4.350 0.001 0.000 0.196 298 E C 0.640 177.233 176.600 -0.012 0.000 1.008 298 E CA 0.110 56.531 56.400 0.035 0.000 0.852 298 E CB -0.514 29.233 29.700 0.078 0.000 0.783 298 E HN 0.510 nan 8.360 nan 0.000 0.505 299 L N 2.731 123.967 121.223 0.022 0.000 2.562 299 L HA 0.166 4.506 4.340 0.001 0.000 0.271 299 L C 0.325 177.164 176.870 -0.052 0.000 1.167 299 L CA 0.809 55.638 54.840 -0.019 0.000 0.917 299 L CB -0.029 42.084 42.059 0.089 0.000 1.187 299 L HN 0.209 nan 8.230 nan 0.000 0.482 300 T N 1.803 116.275 114.554 -0.136 0.000 2.896 300 T HA 0.553 4.904 4.350 0.001 0.000 0.297 300 T C -2.142 172.462 174.700 -0.160 0.000 1.108 300 T CA -1.682 60.346 62.100 -0.120 0.000 1.004 300 T CB 1.799 70.593 68.868 -0.123 0.000 1.159 300 T HN 0.257 nan 8.240 nan 0.000 0.499 301 P HA -0.148 nan 4.420 nan 0.000 0.216 301 P C 1.607 178.801 177.300 -0.177 0.000 1.153 301 P CA 1.202 64.214 63.100 -0.146 0.000 0.858 301 P CB 0.124 31.751 31.700 -0.122 0.000 0.789 302 E N -0.426 119.679 120.200 -0.159 0.000 2.150 302 E HA -0.087 4.264 4.350 0.001 0.000 0.193 302 E C 1.987 178.447 176.600 -0.234 0.000 0.985 302 E CA 1.114 57.423 56.400 -0.152 0.000 0.814 302 E CB -1.440 28.196 29.700 -0.107 0.000 0.752 302 E HN 0.118 nan 8.360 nan 0.000 0.466 303 V N 1.616 121.328 119.914 -0.337 0.000 2.358 303 V HA -0.224 3.896 4.120 0.001 0.000 0.246 303 V C 2.500 178.100 176.094 -0.823 0.000 1.047 303 V CA 1.498 63.436 62.300 -0.603 0.000 1.035 303 V CB -0.612 30.789 31.823 -0.703 0.000 0.658 303 V HN 0.142 nan 8.190 nan 0.000 0.452 304 L N 0.133 121.005 121.223 -0.586 0.000 2.046 304 L HA -0.196 4.145 4.340 0.001 0.000 0.208 304 L C 2.470 179.205 176.870 -0.225 0.000 1.077 304 L CA 2.237 56.828 54.840 -0.415 0.000 0.747 304 L CB -0.779 41.070 42.059 -0.349 0.000 0.896 304 L HN 0.384 nan 8.230 nan 0.000 0.432 305 Q N -0.053 119.629 119.800 -0.197 0.000 2.050 305 Q HA -0.182 4.158 4.340 0.001 0.000 0.202 305 Q C 2.211 178.189 176.000 -0.036 0.000 0.980 305 Q CA 2.565 58.316 55.803 -0.087 0.000 0.840 305 Q CB -0.436 28.268 28.738 -0.057 0.000 0.898 305 Q HN 0.622 nan 8.270 nan 0.000 0.424 306 E N -0.248 119.899 120.200 -0.087 0.000 2.058 306 E HA -0.224 4.127 4.350 0.001 0.000 0.194 306 E C 1.634 178.306 176.600 0.120 0.000 0.997 306 E CA 1.665 58.057 56.400 -0.014 0.000 0.801 306 E CB -1.521 28.138 29.700 -0.069 0.000 0.746 306 E HN 0.617 nan 8.360 nan 0.000 0.450 307 W N 0.405 121.676 121.300 -0.049 0.000 2.335 307 W HA -0.038 4.622 4.660 0.001 0.000 0.311 307 W C 2.402 178.883 176.519 -0.064 0.000 1.213 307 W CA 1.024 58.332 57.345 -0.061 0.000 1.274 307 W CB -1.308 28.108 29.460 -0.073 0.000 1.148 307 W HN 0.274 nan 8.180 nan 0.000 0.498 308 L N -0.104 121.218 121.223 0.165 0.000 2.012 308 L HA -0.247 4.093 4.340 0.001 0.000 0.210 308 L C 2.203 179.108 176.870 0.059 0.000 1.073 308 L CA 1.630 56.513 54.840 0.072 0.000 0.748 308 L CB -0.962 41.110 42.059 0.022 0.000 0.891 308 L HN -0.100 nan 8.230 nan 0.000 0.431 309 D N 0.027 120.463 120.400 0.061 0.000 2.117 309 D HA -0.186 4.455 4.640 0.001 0.000 0.197 309 D C 2.029 178.355 176.300 0.045 0.000 0.987 309 D CA 1.113 55.141 54.000 0.047 0.000 0.829 309 D CB -0.194 40.631 40.800 0.042 0.000 0.961 309 D HN 0.395 nan 8.370 nan 0.000 0.460 310 E N 0.318 120.556 120.200 0.063 0.000 2.273 310 E HA -0.103 4.247 4.350 0.001 0.000 0.198 310 E C 0.590 177.206 176.600 0.026 0.000 1.002 310 E CA 0.015 56.445 56.400 0.050 0.000 0.828 310 E CB -0.025 29.720 29.700 0.075 0.000 0.747 310 E HN 0.318 nan 8.360 nan 0.000 0.491 311 L N 1.781 123.017 121.223 0.021 0.000 2.543 311 L HA -0.061 4.280 4.340 0.001 0.000 0.285 311 L C 0.371 177.254 176.870 0.022 0.000 1.236 311 L CA 1.001 55.845 54.840 0.008 0.000 0.871 311 L CB 0.120 42.185 42.059 0.011 0.000 1.121 311 L HN 0.066 nan 8.230 nan 0.000 0.501 312 E N 2.276 122.497 120.200 0.036 0.000 2.290 312 E HA 0.154 4.504 4.350 0.001 0.000 0.274 312 E C -1.057 175.575 176.600 0.054 0.000 0.889 312 E CA -0.721 55.703 56.400 0.040 0.000 0.760 312 E CB 2.279 32.004 29.700 0.041 0.000 1.206 312 E HN 0.515 nan 8.360 nan 0.000 0.419 313 E N 3.797 124.012 120.200 0.027 0.000 2.481 313 E HA 0.064 4.414 4.350 0.001 0.000 0.263 313 E C -0.860 175.749 176.600 0.015 0.000 0.992 313 E CA 0.625 57.032 56.400 0.011 0.000 0.938 313 E CB 0.658 30.342 29.700 -0.027 0.000 0.933 313 E HN 0.400 nan 8.360 nan 0.000 0.453 314 M N 4.645 124.252 119.600 0.011 0.000 2.520 314 M HA 0.236 4.717 4.480 0.001 0.000 0.280 314 M C -1.649 174.626 176.300 -0.042 0.000 1.232 314 M CA -0.860 54.434 55.300 -0.010 0.000 0.892 314 M CB 2.002 34.608 32.600 0.010 0.000 1.728 314 M HN 0.513 nan 8.290 nan 0.000 0.475 315 M N 6.239 125.802 119.600 -0.061 0.000 2.135 315 M HA 0.442 4.923 4.480 0.001 0.000 0.345 315 M C -1.517 174.743 176.300 -0.067 0.000 1.340 315 M CA -0.260 55.001 55.300 -0.065 0.000 1.162 315 M CB -0.539 32.024 32.600 -0.062 0.000 1.570 315 M HN 0.724 nan 8.290 nan 0.000 0.454 316 L N 2.991 124.194 121.223 -0.033 0.000 2.322 316 L HA 0.774 5.114 4.340 0.001 0.000 0.252 316 L C -1.195 175.647 176.870 -0.047 0.000 1.055 316 L CA -1.043 53.750 54.840 -0.078 0.000 0.849 316 L CB 1.958 43.899 42.059 -0.196 0.000 1.446 316 L HN 0.587 nan 8.230 nan 0.000 0.416 317 c N 1.786 120.336 118.600 -0.083 0.000 2.295 317 c HA 0.843 5.413 4.570 0.001 0.000 0.331 317 c C -0.152 173.856 174.090 -0.138 0.000 1.280 317 c CA -0.146 56.120 56.329 -0.106 0.000 1.746 317 c CB 0.441 42.950 42.510 -0.000 0.000 2.328 317 c HN 0.575 nan 8.230 nan 0.000 0.521 318 V N 7.059 126.827 119.914 -0.244 0.000 2.525 318 V HA 0.438 4.559 4.120 0.001 0.000 0.299 318 V C -0.441 175.735 176.094 0.137 0.000 1.034 318 V CA -0.398 61.846 62.300 -0.093 0.000 0.863 318 V CB 1.419 33.050 31.823 -0.320 0.000 0.999 318 V HN 0.907 nan 8.190 nan 0.000 0.423 319 H N 5.531 124.669 119.070 0.114 0.000 2.541 319 H HA 0.644 5.201 4.556 0.001 0.000 0.316 319 H C -0.405 175.004 175.328 0.135 0.000 1.043 319 H CA -0.482 55.661 56.048 0.158 0.000 1.232 319 H CB 1.721 31.588 29.762 0.176 0.000 1.406 319 H HN 0.544 nan 8.280 nan 0.000 0.469 320 M N 6.244 125.942 119.600 0.163 0.000 2.446 320 M HA 0.410 4.890 4.480 0.001 0.000 0.294 320 M C -3.027 173.303 176.300 0.051 0.000 1.158 320 M CA -1.860 53.487 55.300 0.079 0.000 0.899 320 M CB 3.253 35.837 32.600 -0.027 0.000 1.687 320 M HN 0.317 nan 8.290 nan 0.000 0.455 321 P HA 0.410 nan 4.420 nan 0.000 0.287 321 P C -1.483 175.983 177.300 0.277 0.000 1.279 321 P CA -0.526 62.688 63.100 0.190 0.000 0.867 321 P CB 1.329 33.166 31.700 0.228 0.000 1.127 322 R N 1.254 121.844 120.500 0.150 0.000 2.694 322 R HA 0.511 4.851 4.340 0.001 0.000 0.268 322 R C 0.056 176.517 176.300 0.269 0.000 1.061 322 R CA 0.447 56.618 56.100 0.118 0.000 1.133 322 R CB -0.069 30.254 30.300 0.037 0.000 1.020 322 R HN 0.603 nan 8.270 nan 0.000 0.475 323 F N -2.126 117.848 119.950 0.039 0.000 2.799 323 F HA 0.446 4.974 4.527 0.001 0.000 0.316 323 F C -1.634 174.174 175.800 0.013 0.000 1.155 323 F CA -1.338 56.668 58.000 0.009 0.000 0.916 323 F CB 1.442 40.452 39.000 0.017 0.000 1.294 323 F HN 0.360 nan 8.300 nan 0.000 0.447 324 R N 3.314 123.928 120.500 0.189 0.000 2.518 324 R HA 0.711 5.052 4.340 0.001 0.000 0.296 324 R C -1.761 174.618 176.300 0.131 0.000 1.080 324 R CA -0.674 55.463 56.100 0.061 0.000 0.922 324 R CB 1.540 31.839 30.300 -0.001 0.000 1.184 324 R HN 0.886 nan 8.270 nan 0.000 0.445 325 I N -0.093 120.541 120.570 0.106 0.000 2.648 325 I HA 0.724 4.894 4.170 0.001 0.000 0.304 325 I C -0.721 175.351 176.117 -0.075 0.000 1.009 325 I CA -0.697 60.646 61.300 0.072 0.000 1.114 325 I CB 2.113 40.221 38.000 0.181 0.000 1.293 325 I HN 0.738 nan 8.210 nan 0.000 0.449 326 E N 2.956 123.212 120.200 0.092 0.000 2.403 326 E HA 0.325 4.676 4.350 0.001 0.000 0.280 326 E C -2.266 174.501 176.600 0.278 0.000 1.101 326 E CA -0.634 55.873 56.400 0.178 0.000 0.856 326 E CB 2.475 32.261 29.700 0.143 0.000 1.303 326 E HN 0.870 nan 8.360 nan 0.000 0.441 327 D N 0.786 121.409 120.400 0.371 0.000 2.711 327 D HA 0.259 4.899 4.640 0.001 0.000 0.204 327 D C -1.237 175.284 176.300 0.369 0.000 1.257 327 D CA -0.301 53.884 54.000 0.308 0.000 0.808 327 D CB 1.557 42.540 40.800 0.305 0.000 1.780 327 D HN 0.566 nan 8.370 nan 0.000 0.537 328 G N 2.606 111.525 108.800 0.198 0.000 2.356 328 G HA2 0.455 4.416 3.960 0.001 0.000 0.300 328 G HA3 0.455 4.416 3.960 0.001 0.000 0.300 328 G C -0.552 174.470 174.900 0.204 0.000 1.107 328 G CA -0.103 45.138 45.100 0.235 0.000 0.960 328 G HN 0.220 nan 8.290 nan 0.000 0.418 329 F N 1.216 121.394 119.950 0.380 0.000 2.399 329 F HA 0.463 4.990 4.527 0.001 0.000 0.328 329 F C 0.975 176.966 175.800 0.319 0.000 1.084 329 F CA -0.229 57.988 58.000 0.361 0.000 1.053 329 F CB 2.395 41.654 39.000 0.432 0.000 1.209 329 F HN 0.305 nan 8.300 nan 0.000 0.502 330 S N 3.731 119.688 115.700 0.428 0.000 2.139 330 S HA 0.155 4.625 4.470 0.001 0.000 0.183 330 S C 0.963 175.704 174.600 0.235 0.000 1.473 330 S CA -0.435 57.906 58.200 0.234 0.000 1.263 330 S CB 0.083 63.365 63.200 0.137 0.000 1.170 330 S HN 0.388 nan 8.310 nan 0.000 0.430 331 L N 1.955 123.381 121.223 0.338 0.000 2.123 331 L HA -0.214 4.126 4.340 0.001 0.000 0.217 331 L C 2.493 179.423 176.870 0.101 0.000 1.081 331 L CA 1.742 56.767 54.840 0.309 0.000 0.772 331 L CB -1.124 41.154 42.059 0.365 0.000 0.890 331 L HN 0.505 nan 8.230 nan 0.000 0.437 332 K N -0.070 120.253 120.400 -0.128 0.000 2.049 332 K HA -0.307 4.014 4.320 0.001 0.000 0.219 332 K C 2.065 178.397 176.600 -0.446 0.000 1.056 332 K CA 2.336 58.199 56.287 -0.707 0.000 0.946 332 K CB -0.126 31.946 32.500 -0.713 0.000 0.723 332 K HN 0.449 nan 8.250 nan 0.000 0.453 333 E N 0.071 120.160 120.200 -0.184 0.000 2.007 333 E HA -0.300 4.051 4.350 0.001 0.000 0.203 333 E C 2.221 178.803 176.600 -0.030 0.000 1.020 333 E CA 1.920 58.272 56.400 -0.081 0.000 0.845 333 E CB -0.127 29.569 29.700 -0.006 0.000 0.779 333 E HN 0.262 nan 8.360 nan 0.000 0.466 334 Q N 0.422 120.245 119.800 0.038 0.000 2.029 334 Q HA -0.208 4.133 4.340 0.001 0.000 0.209 334 Q C 2.271 178.212 176.000 -0.098 0.000 0.999 334 Q CA 1.978 57.765 55.803 -0.027 0.000 0.857 334 Q CB -0.376 28.389 28.738 0.045 0.000 0.926 334 Q HN 0.356 nan 8.270 nan 0.000 0.415 335 L N 0.194 121.452 121.223 0.058 0.000 1.971 335 L HA -0.314 4.027 4.340 0.001 0.000 0.215 335 L C 2.711 179.614 176.870 0.055 0.000 1.072 335 L CA 2.194 57.072 54.840 0.064 0.000 0.758 335 L CB -1.072 41.074 42.059 0.145 0.000 0.889 335 L HN 0.519 nan 8.230 nan 0.000 0.433 336 Q N -0.606 119.278 119.800 0.140 0.000 2.135 336 Q HA -0.288 4.052 4.340 0.001 0.000 0.204 336 Q C 1.704 177.734 176.000 0.049 0.000 0.981 336 Q CA 1.972 57.869 55.803 0.157 0.000 0.856 336 Q CB -0.639 28.206 28.738 0.179 0.000 0.902 336 Q HN 0.484 nan 8.270 nan 0.000 0.425 337 D N 0.630 121.032 120.400 0.002 0.000 2.265 337 D HA -0.111 4.530 4.640 0.001 0.000 0.208 337 D C 1.581 177.879 176.300 -0.004 0.000 0.977 337 D CA 0.981 54.992 54.000 0.018 0.000 0.871 337 D CB 0.046 40.875 40.800 0.049 0.000 0.925 337 D HN 0.401 nan 8.370 nan 0.000 0.485 338 M N -1.445 118.081 119.600 -0.124 0.000 2.495 338 M HA 0.150 4.631 4.480 0.001 0.000 0.237 338 M C 1.236 177.503 176.300 -0.055 0.000 1.131 338 M CA 0.666 55.881 55.300 -0.141 0.000 1.032 338 M CB 1.182 33.627 32.600 -0.258 0.000 1.513 338 M HN 0.130 nan 8.290 nan 0.000 0.488 339 G N 0.980 109.769 108.800 -0.017 0.000 2.183 339 G HA2 -0.147 3.814 3.960 0.001 0.000 0.168 339 G HA3 -0.147 3.814 3.960 0.001 0.000 0.168 339 G C -0.482 174.424 174.900 0.010 0.000 1.008 339 G CA -0.705 44.394 45.100 -0.001 0.000 0.677 339 G HN 0.260 nan 8.290 nan 0.000 0.498 340 L N 2.476 123.718 121.223 0.032 0.000 2.315 340 L HA 0.731 5.071 4.340 0.001 0.000 0.278 340 L C 1.094 178.065 176.870 0.167 0.000 1.088 340 L CA -0.118 54.754 54.840 0.052 0.000 0.899 340 L CB 0.954 43.033 42.059 0.034 0.000 1.277 340 L HN -0.011 nan 8.230 nan 0.000 0.431 341 V N 2.702 122.678 119.914 0.103 0.000 2.695 341 V HA 0.008 4.129 4.120 0.001 0.000 0.230 341 V C 1.496 177.650 176.094 0.101 0.000 1.110 341 V CA 0.807 63.192 62.300 0.140 0.000 1.159 341 V CB -0.265 31.610 31.823 0.088 0.000 0.875 341 V HN 0.607 nan 8.190 nan 0.000 0.502 342 D N 0.672 121.099 120.400 0.045 0.000 2.200 342 D HA -0.258 4.383 4.640 0.001 0.000 0.192 342 D C 1.822 178.127 176.300 0.007 0.000 1.008 342 D CA 1.664 55.680 54.000 0.028 0.000 0.872 342 D CB -0.404 40.410 40.800 0.023 0.000 0.923 342 D HN 0.256 nan 8.370 nan 0.000 0.447 343 L N -0.580 120.592 121.223 -0.085 0.000 2.127 343 L HA -0.140 4.200 4.340 0.001 0.000 0.211 343 L C 1.444 178.230 176.870 -0.141 0.000 1.089 343 L CA 1.596 56.328 54.840 -0.179 0.000 0.757 343 L CB -0.381 41.448 42.059 -0.383 0.000 0.899 343 L HN -0.002 nan 8.230 nan 0.000 0.434 344 F N -1.875 118.166 119.950 0.152 0.000 2.776 344 F HA 0.270 4.798 4.527 0.001 0.000 0.300 344 F C 1.418 177.282 175.800 0.105 0.000 1.116 344 F CA 0.015 58.116 58.000 0.168 0.000 1.375 344 F CB -0.537 38.536 39.000 0.121 0.000 1.109 344 F HN -0.015 nan 8.300 nan 0.000 0.585 345 S N 1.053 116.842 115.700 0.149 0.000 2.429 345 S HA 0.293 4.764 4.470 0.001 0.000 0.302 345 S C -1.740 172.717 174.600 -0.239 0.000 1.115 345 S CA -1.635 56.540 58.200 -0.041 0.000 1.095 345 S CB 1.154 64.354 63.200 -0.001 0.000 0.987 345 S HN -0.167 nan 8.310 nan 0.000 0.474 346 P HA -0.096 nan 4.420 nan 0.000 0.216 346 P C 1.106 178.247 177.300 -0.266 0.000 1.150 346 P CA 0.997 63.598 63.100 -0.832 0.000 0.837 346 P CB 0.227 31.356 31.700 -0.952 0.000 0.786 347 E N -0.137 119.957 120.200 -0.177 0.000 2.051 347 E HA -0.073 4.277 4.350 0.001 0.000 0.189 347 E C 1.793 178.370 176.600 -0.038 0.000 0.979 347 E CA 1.173 57.526 56.400 -0.079 0.000 0.803 347 E CB -0.399 29.266 29.700 -0.059 0.000 0.761 347 E HN 0.354 nan 8.360 nan 0.000 0.451 348 K N 1.328 121.709 120.400 -0.032 0.000 2.243 348 K HA 0.031 4.351 4.320 0.001 0.000 0.201 348 K C 1.427 178.036 176.600 0.014 0.000 1.051 348 K CA 0.259 56.545 56.287 -0.002 0.000 0.970 348 K CB 0.095 32.599 32.500 0.007 0.000 0.755 348 K HN 0.036 nan 8.250 nan 0.000 0.465 349 S N 1.483 117.194 115.700 0.020 0.000 2.589 349 S HA -0.024 4.446 4.470 0.001 0.000 0.256 349 S C 0.077 174.708 174.600 0.052 0.000 1.383 349 S CA -0.007 58.223 58.200 0.050 0.000 0.983 349 S CB 0.490 63.756 63.200 0.111 0.000 0.908 349 S HN 0.099 nan 8.310 nan 0.000 0.572 350 K N 0.307 120.742 120.400 0.058 0.000 2.633 350 K HA 0.373 4.693 4.320 0.001 0.000 0.320 350 K C -2.033 174.599 176.600 0.053 0.000 1.312 350 K CA 0.009 56.328 56.287 0.053 0.000 1.081 350 K CB -0.112 32.414 32.500 0.043 0.000 1.406 350 K HN 0.504 nan 8.250 nan 0.000 0.519 351 L N 5.528 126.783 121.223 0.053 0.000 2.784 351 L HA 0.393 4.733 4.340 0.001 0.000 0.241 351 L C -1.525 175.367 176.870 0.037 0.000 1.352 351 L CA -1.275 53.592 54.840 0.045 0.000 0.911 351 L CB 1.156 43.231 42.059 0.027 0.000 1.227 351 L HN 0.383 nan 8.230 nan 0.000 0.501 352 P HA -0.142 nan 4.420 nan 0.000 0.223 352 P C 1.434 178.757 177.300 0.038 0.000 1.144 352 P CA 1.113 64.233 63.100 0.033 0.000 0.783 352 P CB 0.427 32.144 31.700 0.029 0.000 0.771 353 G N -0.349 108.485 108.800 0.057 0.000 2.471 353 G HA2 -0.132 3.829 3.960 0.001 0.000 0.219 353 G HA3 -0.132 3.829 3.960 0.001 0.000 0.219 353 G C 1.310 176.255 174.900 0.076 0.000 1.125 353 G CA 0.369 45.529 45.100 0.100 0.000 0.775 353 G HN 0.229 nan 8.290 nan 0.000 0.548 354 I N -0.644 119.898 120.570 -0.046 0.000 2.729 354 I HA 0.222 4.392 4.170 0.001 0.000 0.256 354 I C 0.237 176.356 176.117 0.003 0.000 1.115 354 I CA 0.561 61.735 61.300 -0.211 0.000 1.446 354 I CB 0.436 38.229 38.000 -0.345 0.000 1.176 354 I HN -0.152 nan 8.210 nan 0.000 0.446 355 V N 0.387 120.316 119.914 0.025 0.000 2.686 355 V HA 0.556 4.677 4.120 0.001 0.000 0.306 355 V C 0.746 176.846 176.094 0.010 0.000 1.065 355 V CA -0.459 61.855 62.300 0.025 0.000 0.894 355 V CB 1.679 33.523 31.823 0.036 0.000 1.004 355 V HN 0.165 nan 8.190 nan 0.000 0.424 356 A N 2.771 125.588 122.820 -0.005 0.000 1.902 356 A HA 0.088 4.409 4.320 0.001 0.000 0.217 356 A C 1.028 178.613 177.584 0.002 0.000 1.181 356 A CA 1.750 53.786 52.037 -0.001 0.000 0.623 356 A CB 0.036 19.030 19.000 -0.010 0.000 0.818 356 A HN 1.319 nan 8.150 nan 0.000 0.443 357 E N -2.720 117.476 120.200 -0.006 0.000 2.254 357 E HA 0.119 4.469 4.350 0.001 0.000 0.191 357 E C 0.688 177.280 176.600 -0.013 0.000 1.178 357 E CA 0.837 57.238 56.400 0.002 0.000 0.442 357 E CB -1.320 28.385 29.700 0.008 0.000 0.798 357 E HN 0.975 nan 8.360 nan 0.000 0.456 358 G N 0.691 109.470 108.800 -0.035 0.000 2.480 358 G HA2 -0.200 3.760 3.960 0.001 0.000 0.216 358 G HA3 -0.200 3.760 3.960 0.001 0.000 0.216 358 G C 1.233 176.114 174.900 -0.032 0.000 1.200 358 G CA 1.075 46.142 45.100 -0.057 0.000 0.782 358 G HN 0.634 nan 8.290 nan 0.000 0.554 359 R N 0.088 120.580 120.500 -0.013 0.000 2.690 359 R HA 0.340 4.681 4.340 0.001 0.000 0.419 359 R C -0.543 175.778 176.300 0.034 0.000 1.090 359 R CA 0.316 56.421 56.100 0.008 0.000 1.064 359 R CB -1.413 28.894 30.300 0.011 0.000 1.391 359 R HN 0.504 nan 8.270 nan 0.000 0.586 360 D N 0.576 120.996 120.400 0.034 0.000 10.186 360 D HA -0.166 4.475 4.640 0.001 0.000 0.355 360 D C -1.259 175.094 176.300 0.088 0.000 3.006 360 D CA 1.705 55.736 54.000 0.052 0.000 2.406 360 D CB -0.458 40.373 40.800 0.051 0.000 1.188 360 D HN 0.661 nan 8.370 nan 0.000 1.028 361 D N 0.248 120.707 120.400 0.098 0.000 6.363 361 D HA -0.125 4.515 4.640 0.001 0.000 0.146 361 D C 0.057 176.520 176.300 0.273 0.000 1.113 361 D CA 0.612 54.703 54.000 0.151 0.000 0.737 361 D CB -0.457 40.409 40.800 0.111 0.000 1.417 361 D HN 0.464 nan 8.370 nan 0.000 0.812 362 L N 3.038 124.391 121.223 0.215 0.000 2.282 362 L HA 0.558 4.899 4.340 0.001 0.000 0.288 362 L C -0.949 176.068 176.870 0.246 0.000 1.033 362 L CA -0.992 53.949 54.840 0.169 0.000 0.807 362 L CB 0.606 42.714 42.059 0.083 0.000 1.209 362 L HN 0.592 nan 8.230 nan 0.000 0.423 363 Y N 1.908 122.230 120.300 0.037 0.000 2.624 363 Y HA 0.454 5.005 4.550 0.001 0.000 0.334 363 Y C -1.107 174.820 175.900 0.046 0.000 1.155 363 Y CA -1.428 56.691 58.100 0.032 0.000 1.046 363 Y CB 0.764 39.254 38.460 0.049 0.000 1.316 363 Y HN 0.056 nan 8.280 nan 0.000 0.457 364 V N 3.336 123.300 119.914 0.083 0.000 2.381 364 V HA 0.050 4.171 4.120 0.001 0.000 0.257 364 V C 0.816 177.029 176.094 0.199 0.000 1.057 364 V CA 0.774 63.112 62.300 0.063 0.000 1.013 364 V CB -0.103 31.783 31.823 0.105 0.000 1.069 364 V HN 1.023 nan 8.190 nan 0.000 0.484 365 S N 3.018 118.692 115.700 -0.043 0.000 2.359 365 S HA -0.122 4.348 4.470 0.001 0.000 0.222 365 S C 0.734 175.393 174.600 0.099 0.000 1.038 365 S CA 1.518 59.742 58.200 0.040 0.000 1.051 365 S CB -0.047 63.085 63.200 -0.114 0.000 0.944 365 S HN 0.904 nan 8.310 nan 0.000 0.433 366 D N -1.642 118.758 120.400 0.000 0.000 2.622 366 D HA 0.620 5.260 4.640 0.001 0.000 0.255 366 D C -1.788 174.337 176.300 -0.291 0.000 1.246 366 D CA -0.359 53.529 54.000 -0.188 0.000 0.795 366 D CB 2.022 42.593 40.800 -0.382 0.000 1.369 366 D HN 0.188 nan 8.370 nan 0.000 0.425 367 A N 1.589 124.171 122.820 -0.397 0.000 2.343 367 A HA 0.688 5.008 4.320 0.001 0.000 0.308 367 A C -1.499 175.856 177.584 -0.382 0.000 1.092 367 A CA -0.539 51.367 52.037 -0.217 0.000 0.751 367 A CB 0.432 19.560 19.000 0.214 0.000 1.203 367 A HN 0.286 nan 8.150 nan 0.000 0.452 368 F N 1.372 121.455 119.950 0.223 0.000 2.444 368 F HA 0.527 5.055 4.527 0.001 0.000 0.342 368 F C 0.374 176.367 175.800 0.322 0.000 1.121 368 F CA -0.188 57.963 58.000 0.251 0.000 0.997 368 F CB 1.713 40.818 39.000 0.175 0.000 1.130 368 F HN 0.773 nan 8.300 nan 0.000 0.454 369 H N 2.139 121.482 119.070 0.455 0.000 2.616 369 H HA 0.717 5.273 4.556 0.001 0.000 0.353 369 H C -1.263 174.328 175.328 0.438 0.000 1.170 369 H CA -1.044 55.259 56.048 0.425 0.000 1.212 369 H CB 1.713 31.740 29.762 0.441 0.000 1.653 369 H HN 0.532 nan 8.280 nan 0.000 0.537 370 K N 2.610 122.832 120.400 -0.296 0.000 2.610 370 K HA 0.646 4.966 4.320 0.001 0.000 0.274 370 K C -2.220 174.380 176.600 -0.000 0.000 1.049 370 K CA -0.020 56.275 56.287 0.013 0.000 0.945 370 K CB 0.837 33.421 32.500 0.139 0.000 1.313 370 K HN 0.749 nan 8.250 nan 0.000 0.463 371 A N 3.173 126.142 122.820 0.248 0.000 2.556 371 A HA 0.942 5.263 4.320 0.001 0.000 0.294 371 A C -1.642 176.227 177.584 0.475 0.000 1.091 371 A CA -0.696 51.588 52.037 0.413 0.000 0.704 371 A CB 0.775 20.159 19.000 0.639 0.000 1.300 371 A HN 0.938 nan 8.150 nan 0.000 0.406 372 F N -0.564 119.385 119.950 -0.002 0.000 2.703 372 F HA 0.787 5.315 4.527 0.001 0.000 0.308 372 F C -2.046 173.308 175.800 -0.745 0.000 1.126 372 F CA -1.149 56.590 58.000 -0.436 0.000 0.959 372 F CB 1.213 40.110 39.000 -0.171 0.000 1.297 372 F HN 0.630 nan 8.300 nan 0.000 0.441 373 L N 2.193 122.882 121.223 -0.891 0.000 2.436 373 L HA 0.643 4.983 4.340 0.001 0.000 0.268 373 L C -1.433 175.270 176.870 -0.277 0.000 0.974 373 L CA -0.236 54.212 54.840 -0.653 0.000 0.826 373 L CB 2.182 43.818 42.059 -0.704 0.000 1.291 373 L HN 0.895 nan 8.230 nan 0.000 0.406 374 E N 4.111 124.197 120.200 -0.191 0.000 2.373 374 E HA 0.524 4.875 4.350 0.001 0.000 0.251 374 E C -1.832 174.616 176.600 -0.253 0.000 0.923 374 E CA -0.529 55.759 56.400 -0.187 0.000 0.798 374 E CB 1.499 31.200 29.700 0.001 0.000 1.303 374 E HN 0.496 nan 8.360 nan 0.000 0.412 375 V N 4.862 124.485 119.914 -0.486 0.000 2.617 375 V HA 0.545 4.666 4.120 0.001 0.000 0.298 375 V C 0.271 176.290 176.094 -0.124 0.000 1.048 375 V CA -0.372 61.757 62.300 -0.285 0.000 0.964 375 V CB 1.394 33.006 31.823 -0.351 0.000 1.004 375 V HN 0.856 nan 8.190 nan 0.000 0.466 376 N N 1.288 120.036 118.700 0.079 0.000 3.449 376 N HA 0.290 5.031 4.740 0.001 0.000 0.312 376 N C 0.117 175.794 175.510 0.278 0.000 1.582 376 N CA -0.787 52.319 53.050 0.095 0.000 0.850 376 N CB 1.525 40.038 38.487 0.044 0.000 1.822 376 N HN 0.266 nan 8.380 nan 0.000 0.577 377 E N 0.363 120.682 120.200 0.198 0.000 2.097 377 E HA -0.188 4.163 4.350 0.001 0.000 0.196 377 E C 1.178 178.131 176.600 0.587 0.000 1.000 377 E CA 1.747 58.368 56.400 0.368 0.000 0.804 377 E CB -0.024 29.827 29.700 0.252 0.000 0.740 377 E HN 0.424 nan 8.360 nan 0.000 0.454 378 E N -0.648 119.765 120.200 0.356 0.000 2.076 378 E HA 0.093 4.443 4.350 0.001 0.000 0.190 378 E C 1.156 177.830 176.600 0.123 0.000 0.979 378 E CA 1.189 57.748 56.400 0.265 0.000 0.807 378 E CB 0.188 29.956 29.700 0.113 0.000 0.761 378 E HN 0.261 nan 8.360 nan 0.000 0.454 379 G N 0.072 108.779 108.800 -0.155 0.000 2.455 379 G HA2 -0.006 3.954 3.960 0.001 0.000 0.223 379 G HA3 -0.006 3.954 3.960 0.001 0.000 0.223 379 G C -1.253 173.390 174.900 -0.428 0.000 1.226 379 G CA -0.078 44.574 45.100 -0.746 0.000 0.948 379 G HN 0.073 nan 8.290 nan 0.000 0.478 380 S N 0.016 115.518 115.700 -0.331 0.000 2.410 380 S HA 0.501 4.971 4.470 0.001 0.000 0.304 380 S C 0.382 174.811 174.600 -0.285 0.000 1.095 380 S CA 1.223 59.285 58.200 -0.231 0.000 1.089 380 S CB 0.698 63.828 63.200 -0.117 0.000 0.968 380 S HN 1.804 nan 8.310 nan 0.000 0.480 381 E N 2.138 122.241 120.200 -0.162 0.000 2.468 381 E HA -0.170 4.181 4.350 0.001 0.000 0.264 381 E C -0.225 176.311 176.600 -0.107 0.000 1.069 381 E CA 0.938 57.282 56.400 -0.093 0.000 0.768 381 E CB -1.593 28.019 29.700 -0.146 0.000 1.332 381 E HN 0.881 nan 8.360 nan 0.000 0.398 382 A N 0.199 122.963 122.820 -0.093 0.000 2.869 382 A HA 0.891 5.211 4.320 0.001 0.000 0.244 382 A C 0.351 177.922 177.584 -0.021 0.000 1.374 382 A CA -0.179 51.817 52.037 -0.067 0.000 0.913 382 A CB 0.544 19.503 19.000 -0.069 0.000 1.589 382 A HN 0.931 nan 8.150 nan 0.000 0.485 383 A N -0.042 122.778 122.820 -0.001 0.000 2.444 383 A HA 0.530 4.851 4.320 0.001 0.000 0.287 383 A C 0.648 178.247 177.584 0.025 0.000 1.195 383 A CA 0.365 52.410 52.037 0.014 0.000 0.858 383 A CB -1.327 17.688 19.000 0.023 0.000 1.117 383 A HN 1.816 nan 8.150 nan 0.000 0.521 384 A N 2.965 125.794 122.820 0.015 0.000 2.386 384 A HA 0.561 4.881 4.320 0.001 0.000 0.248 384 A C 0.842 178.440 177.584 0.023 0.000 1.082 384 A CA 0.456 52.504 52.037 0.017 0.000 0.789 384 A CB 0.297 19.300 19.000 0.004 0.000 1.025 384 A HN 1.215 nan 8.150 nan 0.000 0.490 385 S N -0.633 115.084 115.700 0.028 0.000 2.767 385 S HA 0.667 5.137 4.470 0.001 0.000 0.300 385 S C 0.614 175.226 174.600 0.020 0.000 1.123 385 S CA 0.356 58.573 58.200 0.029 0.000 0.992 385 S CB 1.827 65.052 63.200 0.042 0.000 1.138 385 S HN 0.968 nan 8.310 nan 0.000 0.550 386 T N 0.104 114.670 114.554 0.019 0.000 3.073 386 T HA 0.400 4.751 4.350 0.001 0.000 0.264 386 T C 0.297 175.005 174.700 0.014 0.000 0.893 386 T CA 0.509 62.617 62.100 0.013 0.000 0.863 386 T CB -0.487 68.387 68.868 0.009 0.000 1.247 386 T HN 1.017 nan 8.240 nan 0.000 0.546 387 A N 2.400 125.231 122.820 0.018 0.000 2.589 387 A HA 0.268 4.588 4.320 0.001 0.000 0.259 387 A C 0.595 178.188 177.584 0.014 0.000 1.000 387 A CA 0.230 52.278 52.037 0.017 0.000 0.847 387 A CB -0.570 18.444 19.000 0.023 0.000 0.885 387 A HN 0.469 nan 8.150 nan 0.000 0.508 388 V N 4.769 124.689 119.914 0.010 0.000 2.611 388 V HA -0.101 4.019 4.120 0.001 0.000 0.296 388 V C 0.873 176.972 176.094 0.008 0.000 1.006 388 V CA 0.255 62.559 62.300 0.008 0.000 1.194 388 V CB -0.470 31.357 31.823 0.006 0.000 0.871 388 V HN 0.554 nan 8.190 nan 0.000 0.470 389 V N 8.013 127.931 119.914 0.008 0.000 2.450 389 V HA 0.078 4.198 4.120 0.001 0.000 0.281 389 V C 0.714 176.810 176.094 0.003 0.000 1.019 389 V CA 0.150 62.454 62.300 0.007 0.000 1.062 389 V CB -0.002 31.825 31.823 0.006 0.000 0.979 389 V HN 0.585 nan 8.190 nan 0.000 0.477 390 I N 3.848 124.419 120.570 0.001 0.000 3.246 390 I HA 0.328 4.498 4.170 0.001 0.000 0.280 390 I C 0.887 177.000 176.117 -0.006 0.000 1.239 390 I CA 0.279 61.578 61.300 -0.003 0.000 1.336 390 I CB 0.441 38.437 38.000 -0.007 0.000 1.383 390 I HN 0.695 nan 8.210 nan 0.000 0.617 391 A N 2.184 125.000 122.820 -0.006 0.000 2.309 391 A HA 0.779 5.100 4.320 0.001 0.000 0.317 391 A C 0.162 177.741 177.584 -0.008 0.000 1.134 391 A CA -0.054 51.980 52.037 -0.004 0.000 0.866 391 A CB 0.756 19.756 19.000 0.001 0.000 1.329 391 A HN 1.148 nan 8.150 nan 0.000 0.477 392 G N -0.687 108.111 108.800 -0.003 0.000 2.954 392 G HA2 0.106 4.066 3.960 0.001 0.000 0.672 392 G HA3 0.106 4.066 3.960 0.001 0.000 0.672 392 G C -0.229 174.659 174.900 -0.019 0.000 1.598 392 G CA 0.384 45.483 45.100 -0.002 0.000 1.063 392 G HN 1.614 nan 8.290 nan 0.000 0.584 393 R N 0.651 121.144 120.500 -0.011 0.000 2.659 393 R HA 0.508 4.848 4.340 0.001 0.000 0.290 393 R C 0.212 176.511 176.300 -0.001 0.000 1.253 393 R CA -0.126 55.955 56.100 -0.033 0.000 1.010 393 R CB 0.517 30.785 30.300 -0.054 0.000 1.236 393 R HN 0.778 nan 8.270 nan 0.000 0.413 394 S N 3.746 119.436 115.700 -0.017 0.000 2.576 394 S HA 0.176 4.647 4.470 0.001 0.000 0.272 394 S C 0.475 175.085 174.600 0.017 0.000 1.352 394 S CA -0.326 57.874 58.200 0.000 0.000 1.021 394 S CB 0.434 63.627 63.200 -0.011 0.000 0.887 394 S HN 0.456 nan 8.310 nan 0.000 0.542 395 L N 2.534 123.776 121.223 0.031 0.000 2.416 395 L HA 0.139 4.479 4.340 0.001 0.000 0.272 395 L C 1.119 178.014 176.870 0.042 0.000 1.161 395 L CA -0.113 54.755 54.840 0.047 0.000 0.845 395 L CB 0.099 42.179 42.059 0.034 0.000 1.119 395 L HN 0.694 nan 8.230 nan 0.000 0.464 396 N N 5.202 123.945 118.700 0.071 0.000 2.452 396 N HA 0.165 4.906 4.740 0.001 0.000 0.266 396 N C -2.166 173.376 175.510 0.053 0.000 1.175 396 N CA -1.202 51.895 53.050 0.078 0.000 0.945 396 N CB 0.986 39.568 38.487 0.158 0.000 1.063 396 N HN 0.354 nan 8.380 nan 0.000 0.472 397 P HA 0.000 nan 4.420 nan 0.000 0.302 397 P C -0.095 177.221 177.300 0.026 0.000 1.301 397 P CA 0.033 63.149 63.100 0.026 0.000 0.745 397 P CB 0.351 32.063 31.700 0.020 0.000 1.331 398 N N -1.860 116.849 118.700 0.016 0.000 2.784 398 N HA -0.293 4.448 4.740 0.001 0.000 0.234 398 N C 0.211 175.725 175.510 0.007 0.000 0.980 398 N CA 1.758 54.815 53.050 0.011 0.000 1.080 398 N CB -1.156 37.338 38.487 0.012 0.000 1.096 398 N HN 0.774 nan 8.380 nan 0.000 0.613 399 R N -1.734 118.773 120.500 0.012 0.000 2.634 399 R HA 0.561 4.901 4.340 0.001 0.000 0.263 399 R C -0.395 175.906 176.300 0.001 0.000 1.060 399 R CA -0.730 55.370 56.100 -0.000 0.000 0.898 399 R CB 0.951 31.248 30.300 -0.006 0.000 1.253 399 R HN -0.172 nan 8.270 nan 0.000 0.461 400 V N 0.588 120.490 119.914 -0.020 0.000 3.426 400 V HA 0.265 4.385 4.120 0.001 0.000 0.136 400 V C 0.236 176.300 176.094 -0.050 0.000 0.973 400 V CA 0.346 62.627 62.300 -0.032 0.000 1.351 400 V CB 0.223 32.020 31.823 -0.043 0.000 0.996 400 V HN 0.891 nan 8.190 nan 0.000 0.373 401 c N -1.146 117.403 118.600 -0.085 0.000 3.213 401 c HA 0.274 4.845 4.570 0.001 0.000 0.424 401 c C -1.052 172.978 174.090 -0.101 0.000 0.995 401 c CA -1.466 54.794 56.329 -0.116 0.000 1.109 401 c CB 0.054 42.425 42.510 -0.231 0.000 1.526 401 c HN 0.566 nan 8.230 nan 0.000 0.616 402 F N 5.009 124.845 119.950 -0.190 0.000 2.506 402 F HA 0.548 5.076 4.527 0.001 0.000 0.371 402 F C 0.121 175.843 175.800 -0.130 0.000 1.078 402 F CA 0.644 58.569 58.000 -0.125 0.000 1.195 402 F CB 0.327 39.265 39.000 -0.103 0.000 1.099 402 F HN 0.489 nan 8.300 nan 0.000 0.548 403 K N 5.962 126.114 120.400 -0.413 0.000 2.535 403 K HA 0.569 4.889 4.320 0.001 0.000 0.253 403 K C -0.550 175.894 176.600 -0.260 0.000 0.953 403 K CA -0.700 55.472 56.287 -0.191 0.000 0.863 403 K CB 1.763 34.193 32.500 -0.117 0.000 1.111 403 K HN 0.596 nan 8.250 nan 0.000 0.431 404 A N 3.336 126.109 122.820 -0.079 0.000 3.118 404 A HA 0.045 4.365 4.320 0.001 0.000 0.256 404 A C 0.066 177.820 177.584 0.282 0.000 1.667 404 A CA -0.472 51.561 52.037 -0.008 0.000 1.338 404 A CB -0.901 17.943 19.000 -0.260 0.000 1.127 404 A HN 0.774 nan 8.150 nan 0.000 0.634 405 N N 0.616 119.384 118.700 0.112 0.000 2.453 405 N HA 0.181 4.921 4.740 0.001 0.000 0.270 405 N C -0.204 175.021 175.510 -0.475 0.000 1.195 405 N CA -0.455 52.610 53.050 0.026 0.000 0.902 405 N CB -0.133 38.436 38.487 0.137 0.000 1.186 405 N HN 0.671 nan 8.380 nan 0.000 0.510 406 R N -3.028 117.153 120.500 -0.531 0.000 2.687 406 R HA 0.458 4.799 4.340 0.001 0.000 0.265 406 R C -3.380 172.854 176.300 -0.111 0.000 1.048 406 R CA -1.689 54.063 56.100 -0.581 0.000 0.884 406 R CB -0.134 30.039 30.300 -0.212 0.000 1.258 406 R HN -0.184 nan 8.270 nan 0.000 0.469 407 P HA -0.115 nan 4.420 nan 0.000 0.259 407 P C -1.206 176.164 177.300 0.116 0.000 1.155 407 P CA 0.683 63.831 63.100 0.081 0.000 0.759 407 P CB 0.008 31.743 31.700 0.059 0.000 0.753 408 F N 1.160 121.174 119.950 0.106 0.000 2.613 408 F HA 0.631 5.159 4.527 0.001 0.000 0.314 408 F C -0.973 174.867 175.800 0.066 0.000 1.075 408 F CA -1.664 56.384 58.000 0.079 0.000 0.945 408 F CB 0.888 39.945 39.000 0.094 0.000 1.310 408 F HN -0.040 nan 8.300 nan 0.000 0.467 409 L N 1.934 123.359 121.223 0.336 0.000 2.439 409 L HA 0.737 5.078 4.340 0.001 0.000 0.259 409 L C -0.660 176.374 176.870 0.273 0.000 1.129 409 L CA -1.262 53.672 54.840 0.157 0.000 0.803 409 L CB 1.710 43.834 42.059 0.109 0.000 1.161 409 L HN 0.671 nan 8.230 nan 0.000 0.462 410 V N 1.962 121.890 119.914 0.024 0.000 2.711 410 V HA 0.476 4.596 4.120 0.001 0.000 0.304 410 V C -1.483 174.601 176.094 -0.015 0.000 1.097 410 V CA -0.307 62.121 62.300 0.213 0.000 0.906 410 V CB 1.904 33.973 31.823 0.411 0.000 1.015 410 V HN 0.450 nan 8.190 nan 0.000 0.427 411 F N 6.522 126.606 119.950 0.224 0.000 2.529 411 F HA 0.636 5.163 4.527 0.001 0.000 0.320 411 F C -0.061 175.871 175.800 0.220 0.000 1.118 411 F CA -0.833 57.269 58.000 0.169 0.000 0.915 411 F CB 2.059 41.118 39.000 0.099 0.000 1.161 411 F HN 0.172 nan 8.300 nan 0.000 0.445 412 I N 4.550 125.365 120.570 0.408 0.000 2.337 412 I HA 0.333 4.504 4.170 0.001 0.000 0.285 412 I C -0.144 176.067 176.117 0.156 0.000 1.041 412 I CA -0.458 61.030 61.300 0.314 0.000 1.199 412 I CB 0.976 39.211 38.000 0.391 0.000 1.370 412 I HN 0.678 nan 8.210 nan 0.000 0.470 413 R N 4.136 124.711 120.500 0.127 0.000 2.732 413 R HA 0.583 4.923 4.340 0.001 0.000 0.278 413 R C -0.366 175.936 176.300 0.004 0.000 0.976 413 R CA -0.768 55.359 56.100 0.045 0.000 0.963 413 R CB 2.174 32.502 30.300 0.046 0.000 1.150 413 R HN 0.244 nan 8.270 nan 0.000 0.478 414 E N 3.042 123.223 120.200 -0.033 0.000 2.046 414 E HA 0.103 4.453 4.350 0.001 0.000 0.279 414 E C 0.609 177.206 176.600 -0.005 0.000 0.989 414 E CA -0.407 55.972 56.400 -0.035 0.000 0.798 414 E CB 1.597 31.249 29.700 -0.080 0.000 1.086 414 E HN 0.607 nan 8.360 nan 0.000 0.399 415 V N 6.779 126.707 119.914 0.024 0.000 2.270 415 V HA -0.152 3.969 4.120 0.001 0.000 0.245 415 V C -0.891 175.224 176.094 0.035 0.000 1.043 415 V CA 1.508 63.829 62.300 0.034 0.000 1.014 415 V CB -1.362 30.490 31.823 0.048 0.000 0.645 415 V HN 0.511 nan 8.190 nan 0.000 0.447 416 P HA -0.149 nan 4.420 nan 0.000 0.215 416 P C 1.656 178.977 177.300 0.034 0.000 1.157 416 P CA 1.543 64.658 63.100 0.024 0.000 0.874 416 P CB -0.099 31.608 31.700 0.011 0.000 0.790 417 L N -2.500 118.730 121.223 0.012 0.000 2.591 417 L HA 0.136 4.476 4.340 0.001 0.000 0.228 417 L C 0.498 177.374 176.870 0.010 0.000 1.133 417 L CA 0.024 54.866 54.840 0.004 0.000 0.880 417 L CB -1.219 40.810 42.059 -0.049 0.000 1.033 417 L HN 0.030 nan 8.230 nan 0.000 0.450 418 N N 0.966 119.682 118.700 0.027 0.000 2.705 418 N HA -0.169 4.571 4.740 0.001 0.000 0.255 418 N C -0.694 174.773 175.510 -0.072 0.000 1.008 418 N CA 0.895 53.949 53.050 0.006 0.000 0.742 418 N CB -0.822 37.714 38.487 0.080 0.000 0.906 418 N HN 0.239 nan 8.380 nan 0.000 0.541 419 T N 1.194 115.709 114.554 -0.064 0.000 2.807 419 T HA 0.472 4.822 4.350 0.001 0.000 0.279 419 T C 0.676 175.345 174.700 -0.052 0.000 0.993 419 T CA -0.604 61.450 62.100 -0.076 0.000 0.970 419 T CB 1.146 69.963 68.868 -0.085 0.000 0.950 419 T HN 0.180 nan 8.240 nan 0.000 0.441 420 I N 3.908 124.461 120.570 -0.028 0.000 2.363 420 I HA 0.196 4.367 4.170 0.001 0.000 0.292 420 I C 1.025 177.129 176.117 -0.023 0.000 1.075 420 I CA -0.123 61.191 61.300 0.024 0.000 1.333 420 I CB 0.555 38.611 38.000 0.093 0.000 1.415 420 I HN 0.694 nan 8.210 nan 0.000 0.502 421 I N 5.698 126.207 120.570 -0.101 0.000 2.429 421 I HA 0.016 4.186 4.170 0.001 0.000 0.247 421 I C 0.036 175.872 176.117 -0.468 0.000 1.099 421 I CA 1.048 62.146 61.300 -0.336 0.000 1.422 421 I CB 0.128 37.819 38.000 -0.515 0.000 1.112 421 I HN 0.299 nan 8.210 nan 0.000 0.430 422 F N 1.074 121.032 119.950 0.014 0.000 2.576 422 F HA 0.602 5.129 4.527 0.001 0.000 0.313 422 F C -0.188 175.529 175.800 -0.138 0.000 1.078 422 F CA -1.243 56.687 58.000 -0.116 0.000 0.921 422 F CB 1.800 40.783 39.000 -0.028 0.000 1.232 422 F HN -0.193 nan 8.300 nan 0.000 0.459 423 M N 1.307 120.816 119.600 -0.151 0.000 2.421 423 M HA 0.966 5.446 4.480 0.001 0.000 0.287 423 M C -0.947 175.143 176.300 -0.350 0.000 1.183 423 M CA -0.403 54.711 55.300 -0.311 0.000 0.916 423 M CB 2.520 34.906 32.600 -0.358 0.000 1.701 423 M HN 0.705 nan 8.290 nan 0.000 0.470 424 G N 1.395 110.040 108.800 -0.259 0.000 2.554 424 G HA2 0.657 4.617 3.960 0.001 0.000 0.306 424 G HA3 0.657 4.617 3.960 0.001 0.000 0.306 424 G C -2.350 172.578 174.900 0.047 0.000 1.320 424 G CA -1.004 44.137 45.100 0.069 0.000 0.800 424 G HN 0.925 nan 8.290 nan 0.000 0.481 425 R N -0.262 120.333 120.500 0.160 0.000 2.538 425 R HA 0.558 4.898 4.340 0.001 0.000 0.292 425 R C -1.675 174.556 176.300 -0.114 0.000 1.008 425 R CA -0.507 55.610 56.100 0.028 0.000 0.896 425 R CB 2.177 32.554 30.300 0.129 0.000 1.187 425 R HN 0.345 nan 8.270 nan 0.000 0.440 426 V N 4.946 124.589 119.914 -0.451 0.000 2.270 426 V HA 0.272 4.392 4.120 0.001 0.000 0.263 426 V C 0.915 176.702 176.094 -0.512 0.000 1.066 426 V CA 0.162 62.046 62.300 -0.693 0.000 0.857 426 V CB 0.649 31.573 31.823 -1.499 0.000 1.099 426 V HN 0.948 nan 8.190 nan 0.000 0.476 427 A N 4.384 127.071 122.820 -0.221 0.000 2.095 427 A HA 0.225 4.546 4.320 0.001 0.000 0.212 427 A C 0.921 178.509 177.584 0.007 0.000 1.162 427 A CA 0.562 52.579 52.037 -0.033 0.000 0.753 427 A CB -0.009 18.993 19.000 0.003 0.000 0.840 427 A HN 0.695 nan 8.150 nan 0.000 0.468 428 N N -0.944 117.621 118.700 -0.225 0.000 2.655 428 N HA 0.229 4.970 4.740 0.001 0.000 0.277 428 N C -2.887 172.387 175.510 -0.394 0.000 1.177 428 N CA -0.955 51.900 53.050 -0.325 0.000 0.882 428 N CB 1.788 40.216 38.487 -0.099 0.000 1.481 428 N HN -0.098 nan 8.380 nan 0.000 0.547 429 P HA 0.263 nan 4.420 nan 0.000 0.275 429 P C -0.100 177.075 177.300 -0.209 0.000 1.310 429 P CA -0.014 62.886 63.100 -0.333 0.000 0.904 429 P CB 0.177 31.656 31.700 -0.369 0.000 1.381 430 c N 1.187 119.640 118.600 -0.246 0.000 2.741 430 c HA 0.010 4.580 4.570 0.001 0.000 0.403 430 c C 1.578 175.630 174.090 -0.064 0.000 1.282 430 c CA -0.436 55.819 56.329 -0.122 0.000 2.053 430 c CB -0.295 42.162 42.510 -0.089 0.000 2.731 430 c HN 0.221 nan 8.230 nan 0.000 0.680 431 V N 3.698 123.589 119.914 -0.039 0.000 3.014 431 V HA 0.172 4.292 4.120 0.001 0.000 0.287 431 V C 0.738 176.818 176.094 -0.024 0.000 1.114 431 V CA 1.548 63.833 62.300 -0.024 0.000 1.259 431 V CB -1.186 30.627 31.823 -0.016 0.000 0.794 431 V HN 1.093 nan 8.190 nan 0.000 0.438 432 K N 0.000 120.387 120.400 -0.022 0.000 2.780 432 K HA 0.000 4.320 4.320 0.001 0.000 0.191 432 K CA 0.000 56.274 56.287 -0.021 0.000 0.838 432 K CB 0.000 32.487 32.500 -0.022 0.000 1.064 432 K HN 0.000 nan 8.250 nan 0.000 0.543