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 2nn6_1_H DATA FIRST_RESID 25 DATA SEQUENCE HLVVPGDTIT TDTGFMRGHG TYMGEEKLIA SVAGSVERVN KLICVKALKT DATA SEQUENCE RYIGEVGDIV VGRITEVQQK RWKVETNSRL DSVLLLSSMN XXXXXXXXXX DATA SEQUENCE XXXELAMRGF LQEGDLISAE VQAVFSDGAV SLHTRSLKYG KLGQGVLVQV DATA SEQUENCE SPSLVKRQKT HFHDLPCGAS VILGNNGFIW IYPTPEHXXX XXXGFIANLE DATA SEQUENCE PVSLADREVI SRLRNCIISL VTQRMMLYDT SILYCYEASL PHQIKDILKP DATA SEQUENCE EIMEEIVMET RQRLLEQEG 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 25 H HA 0.000 nan 4.556 nan 0.000 0.296 25 H C 0.000 175.332 175.328 0.007 0.000 0.993 25 H CA 0.000 56.053 56.048 0.008 0.000 1.023 25 H CB 0.000 29.768 29.762 0.010 0.000 1.292 26 L N 4.346 125.732 121.223 0.273 0.000 2.333 26 L HA 0.616 4.956 4.340 0.000 0.000 0.280 26 L C -0.241 176.781 176.870 0.254 0.000 1.004 26 L CA -0.853 54.101 54.840 0.190 0.000 0.820 26 L CB 1.630 43.727 42.059 0.064 0.000 1.247 26 L HN 0.403 nan 8.230 nan 0.000 0.416 27 V N 0.779 120.778 119.914 0.140 0.000 2.932 27 V HA 0.777 4.897 4.120 0.000 0.000 0.307 27 V C -0.263 175.850 176.094 0.032 0.000 1.147 27 V CA -1.099 61.247 62.300 0.077 0.000 0.951 27 V CB 1.821 33.644 31.823 -0.000 0.000 1.031 27 V HN 0.504 nan 8.190 nan 0.000 0.426 28 V N 1.138 121.066 119.914 0.023 0.000 2.686 28 V HA 0.557 4.677 4.120 0.000 0.000 0.295 28 V C -1.890 174.203 176.094 -0.001 0.000 1.055 28 V CA -1.759 60.550 62.300 0.015 0.000 1.050 28 V CB 0.551 32.384 31.823 0.017 0.000 0.984 28 V HN 0.925 nan 8.190 nan 0.000 0.482 29 P HA 0.155 nan 4.420 nan 0.000 0.261 29 P C 0.864 178.161 177.300 -0.004 0.000 1.173 29 P CA 1.570 64.670 63.100 0.000 0.000 0.760 29 P CB 0.694 32.412 31.700 0.030 0.000 0.783 30 G N 1.968 110.741 108.800 -0.046 0.000 2.192 30 G HA2 -0.143 3.817 3.960 0.000 0.000 0.193 30 G HA3 -0.143 3.817 3.960 0.000 0.000 0.193 30 G C -0.136 174.720 174.900 -0.073 0.000 0.999 30 G CA -0.186 44.892 45.100 -0.035 0.000 0.659 30 G HN 0.508 nan 8.290 nan 0.000 0.503 31 D N 0.350 120.692 120.400 -0.096 0.000 2.507 31 D HA 0.678 5.318 4.640 0.000 0.000 0.280 31 D C 0.931 177.149 176.300 -0.136 0.000 1.219 31 D CA 0.790 54.735 54.000 -0.091 0.000 1.085 31 D CB 0.702 41.461 40.800 -0.068 0.000 1.134 31 D HN 0.371 nan 8.370 nan 0.000 0.583 32 T N -1.771 112.713 114.554 -0.118 0.000 2.887 32 T HA 0.732 5.082 4.350 0.000 0.000 0.288 32 T C -0.457 174.163 174.700 -0.135 0.000 1.021 32 T CA -0.750 61.274 62.100 -0.126 0.000 1.000 32 T CB 0.869 69.682 68.868 -0.091 0.000 1.034 32 T HN 0.101 nan 8.240 nan 0.000 0.467 33 I N 1.042 121.538 120.570 -0.122 0.000 2.822 33 I HA 0.383 4.553 4.170 0.000 0.000 0.312 33 I C 0.788 176.855 176.117 -0.082 0.000 1.011 33 I CA -0.678 60.560 61.300 -0.104 0.000 1.105 33 I CB 1.495 39.458 38.000 -0.061 0.000 1.291 33 I HN 0.704 nan 8.210 nan 0.000 0.474 34 T N 2.740 117.262 114.554 -0.054 0.000 2.792 34 T HA 0.092 4.442 4.350 0.000 0.000 0.286 34 T C 0.029 174.631 174.700 -0.163 0.000 0.970 34 T CA 0.184 62.245 62.100 -0.065 0.000 1.187 34 T CB -0.541 68.336 68.868 0.015 0.000 0.915 34 T HN 0.528 nan 8.240 nan 0.000 0.529 35 T N 6.098 120.517 114.554 -0.225 0.000 2.733 35 T HA 0.420 4.770 4.350 0.000 0.000 0.294 35 T C -0.231 174.172 174.700 -0.495 0.000 0.956 35 T CA -0.713 61.191 62.100 -0.327 0.000 0.987 35 T CB 0.651 69.406 68.868 -0.187 0.000 0.920 35 T HN 0.540 nan 8.240 nan 0.000 0.470 36 D N 1.203 121.049 120.400 -0.923 0.000 2.626 36 D HA 0.316 4.956 4.640 0.000 0.000 0.278 36 D C -0.443 175.475 176.300 -0.637 0.000 1.211 36 D CA -0.508 52.991 54.000 -0.835 0.000 0.903 36 D CB 2.053 42.264 40.800 -0.981 0.000 1.408 36 D HN 0.263 nan 8.370 nan 0.000 0.454 37 T N -0.627 113.810 114.554 -0.194 0.000 2.910 37 T HA 0.489 4.839 4.350 0.000 0.000 0.293 37 T C 1.036 175.927 174.700 0.319 0.000 1.015 37 T CA 0.711 62.839 62.100 0.046 0.000 1.094 37 T CB 1.046 69.935 68.868 0.035 0.000 0.968 37 T HN 0.670 nan 8.240 nan 0.000 0.521 38 G N 1.509 110.481 108.800 0.287 0.000 2.132 38 G HA2 -0.194 3.766 3.960 0.000 0.000 0.234 38 G HA3 -0.194 3.766 3.960 0.000 0.000 0.234 38 G C -0.188 174.881 174.900 0.281 0.000 0.989 38 G CA -0.565 44.685 45.100 0.250 0.000 0.676 38 G HN 0.526 nan 8.290 nan 0.000 0.522 39 F N -0.247 119.704 119.950 0.001 0.000 2.421 39 F HA 0.890 5.417 4.527 0.000 0.000 0.337 39 F C 0.438 176.239 175.800 0.001 0.000 1.105 39 F CA -1.497 56.503 58.000 -0.000 0.000 1.049 39 F CB 1.848 40.844 39.000 -0.005 0.000 1.139 39 F HN 0.106 nan 8.300 nan 0.000 0.479 40 M N 3.800 123.460 119.600 0.100 0.000 2.662 40 M HA 0.637 5.117 4.480 0.000 0.000 0.310 40 M C -1.116 175.219 176.300 0.057 0.000 1.204 40 M CA -0.895 54.444 55.300 0.064 0.000 0.891 40 M CB 2.088 34.703 32.600 0.025 0.000 1.732 40 M HN 0.621 nan 8.290 nan 0.000 0.467 41 R N 1.200 121.728 120.500 0.047 0.000 2.720 41 R HA 0.936 5.276 4.340 0.000 0.000 0.272 41 R C 0.061 176.379 176.300 0.030 0.000 0.991 41 R CA -0.897 55.227 56.100 0.040 0.000 1.010 41 R CB 0.705 31.029 30.300 0.040 0.000 1.141 41 R HN 0.800 nan 8.270 nan 0.000 0.494 42 G N -0.491 108.336 108.800 0.044 0.000 2.932 42 G HA2 0.333 4.293 3.960 0.000 0.000 0.283 42 G HA3 0.333 4.293 3.960 0.000 0.000 0.283 42 G C -1.182 173.767 174.900 0.081 0.000 1.336 42 G CA -0.933 44.228 45.100 0.102 0.000 1.056 42 G HN 0.562 nan 8.290 nan 0.000 0.522 43 H N -0.839 118.247 119.070 0.028 0.000 2.878 43 H HA 0.453 5.009 4.556 0.000 0.000 0.290 43 H C 1.090 176.441 175.328 0.037 0.000 1.065 43 H CA 0.827 56.895 56.048 0.033 0.000 1.477 43 H CB 1.011 30.789 29.762 0.026 0.000 1.484 43 H HN 1.003 nan 8.280 nan 0.000 0.504 44 G N 2.382 111.249 108.800 0.112 0.000 2.260 44 G HA2 -0.209 3.751 3.960 0.000 0.000 0.179 44 G HA3 -0.209 3.751 3.960 0.000 0.000 0.179 44 G C 0.229 175.164 174.900 0.057 0.000 1.002 44 G CA -0.085 45.068 45.100 0.089 0.000 0.677 44 G HN 0.886 nan 8.290 nan 0.000 0.486 45 T N -1.055 113.530 114.554 0.052 0.000 2.887 45 T HA 0.804 5.154 4.350 0.000 0.000 0.288 45 T C -0.613 174.143 174.700 0.094 0.000 1.021 45 T CA -0.246 61.862 62.100 0.013 0.000 1.000 45 T CB 2.672 71.543 68.868 0.004 0.000 1.034 45 T HN 1.615 nan 8.240 nan 0.000 0.467 46 Y N -0.156 120.135 120.300 -0.016 0.000 2.670 46 Y HA 0.759 5.309 4.550 0.000 0.000 0.334 46 Y C -1.682 174.209 175.900 -0.015 0.000 1.185 46 Y CA -2.073 56.013 58.100 -0.022 0.000 1.053 46 Y CB 1.503 39.947 38.460 -0.027 0.000 1.298 46 Y HN 0.636 nan 8.280 nan 0.000 0.459 47 M N 2.292 122.116 119.600 0.372 0.000 2.167 47 M HA 0.568 5.048 4.480 0.000 0.000 0.333 47 M C -0.468 176.016 176.300 0.307 0.000 1.030 47 M CA -0.598 54.838 55.300 0.227 0.000 0.963 47 M CB 1.603 34.268 32.600 0.107 0.000 1.589 47 M HN 1.038 nan 8.290 nan 0.000 0.431 48 G N 2.074 111.034 108.800 0.266 0.000 2.782 48 G HA2 0.536 4.496 3.960 0.000 0.000 0.289 48 G HA3 0.536 4.496 3.960 0.000 0.000 0.289 48 G C -0.238 174.725 174.900 0.104 0.000 1.463 48 G CA -0.298 44.937 45.100 0.225 0.000 1.019 48 G HN 0.894 nan 8.290 nan 0.000 0.536 49 E N 1.792 122.027 120.200 0.060 0.000 2.442 49 E HA -0.215 4.135 4.350 0.000 0.000 0.256 49 E C 0.367 176.978 176.600 0.018 0.000 1.095 49 E CA 0.721 57.139 56.400 0.031 0.000 0.747 49 E CB -1.132 28.585 29.700 0.029 0.000 1.310 49 E HN 0.947 nan 8.360 nan 0.000 0.396 50 E N -2.601 117.609 120.200 0.018 0.000 3.898 50 E HA -0.215 4.135 4.350 0.000 0.000 0.328 50 E C -0.036 176.558 176.600 -0.009 0.000 0.770 50 E CA 1.448 57.849 56.400 0.002 0.000 1.267 50 E CB -0.407 29.288 29.700 -0.007 0.000 1.646 50 E HN 0.251 nan 8.360 nan 0.000 0.420 51 K N -0.400 120.001 120.400 0.001 0.000 2.208 51 K HA 0.752 5.072 4.320 0.000 0.000 0.241 51 K C -1.117 175.468 176.600 -0.025 0.000 1.087 51 K CA -0.774 55.499 56.287 -0.024 0.000 0.883 51 K CB 0.946 33.427 32.500 -0.031 0.000 1.360 51 K HN -0.034 nan 8.250 nan 0.000 0.496 52 L N 1.282 122.462 121.223 -0.071 0.000 2.381 52 L HA 0.571 4.911 4.340 0.000 0.000 0.274 52 L C -1.610 175.128 176.870 -0.221 0.000 0.988 52 L CA -0.373 54.403 54.840 -0.107 0.000 0.824 52 L CB 1.230 43.249 42.059 -0.067 0.000 1.263 52 L HN 0.504 nan 8.230 nan 0.000 0.410 53 I N 2.855 123.156 120.570 -0.449 0.000 3.108 53 I HA 0.800 4.970 4.170 0.000 0.000 0.312 53 I C -0.244 175.523 176.117 -0.583 0.000 1.095 53 I CA -0.664 60.270 61.300 -0.611 0.000 1.000 53 I CB 2.016 39.438 38.000 -0.962 0.000 1.229 53 I HN 0.614 nan 8.210 nan 0.000 0.454 54 A N 0.989 123.582 122.820 -0.379 0.000 2.258 54 A HA 0.565 4.885 4.320 0.000 0.000 0.316 54 A C 0.690 178.197 177.584 -0.129 0.000 1.279 54 A CA 0.089 52.008 52.037 -0.197 0.000 0.876 54 A CB 0.458 19.398 19.000 -0.101 0.000 1.170 54 A HN 0.832 nan 8.150 nan 0.000 0.520 55 S N 2.335 118.040 115.700 0.008 0.000 2.388 55 S HA 0.031 4.501 4.470 0.000 0.000 0.223 55 S C 0.722 175.390 174.600 0.114 0.000 1.034 55 S CA 0.821 59.145 58.200 0.208 0.000 0.963 55 S CB -0.492 62.913 63.200 0.340 0.000 0.827 55 S HN 0.465 nan 8.310 nan 0.000 0.481 56 V N 2.320 122.281 119.914 0.079 0.000 2.686 56 V HA 0.623 4.743 4.120 0.000 0.000 0.295 56 V C 0.653 176.773 176.094 0.043 0.000 1.057 56 V CA -0.431 61.907 62.300 0.063 0.000 1.012 56 V CB 1.008 32.872 31.823 0.067 0.000 1.006 56 V HN 0.574 nan 8.190 nan 0.000 0.477 57 A N 3.889 126.733 122.820 0.041 0.000 2.906 57 A HA 0.643 4.963 4.320 0.000 0.000 0.289 57 A C 0.642 178.246 177.584 0.032 0.000 1.675 57 A CA 0.568 52.625 52.037 0.032 0.000 1.372 57 A CB -0.887 18.131 19.000 0.031 0.000 1.091 57 A HN 1.116 nan 8.150 nan 0.000 0.579 58 G N 0.104 108.923 108.800 0.031 0.000 3.058 58 G HA2 0.635 4.595 3.960 0.000 0.000 0.282 58 G HA3 0.635 4.595 3.960 0.000 0.000 0.282 58 G C -0.273 174.648 174.900 0.036 0.000 1.248 58 G CA 0.235 45.355 45.100 0.034 0.000 0.822 58 G HN 0.984 nan 8.290 nan 0.000 0.579 59 S N -1.380 114.344 115.700 0.040 0.000 2.664 59 S HA 0.691 5.161 4.470 0.000 0.000 0.304 59 S C -0.597 174.033 174.600 0.050 0.000 1.099 59 S CA -0.679 57.551 58.200 0.051 0.000 1.003 59 S CB 1.764 64.993 63.200 0.049 0.000 1.092 59 S HN 0.667 nan 8.310 nan 0.000 0.525 60 V N 2.392 122.348 119.914 0.071 0.000 2.432 60 V HA 0.405 4.525 4.120 0.000 0.000 0.271 60 V C -0.503 175.626 176.094 0.057 0.000 1.046 60 V CA -0.278 62.054 62.300 0.054 0.000 0.945 60 V CB 0.335 32.195 31.823 0.062 0.000 0.992 60 V HN 0.848 nan 8.190 nan 0.000 0.471 61 E N 5.722 125.945 120.200 0.038 0.000 2.218 61 E HA 0.461 4.811 4.350 0.000 0.000 0.263 61 E C -0.632 175.981 176.600 0.022 0.000 0.879 61 E CA -0.769 55.651 56.400 0.033 0.000 0.762 61 E CB 2.200 31.918 29.700 0.030 0.000 1.166 61 E HN 0.794 nan 8.360 nan 0.000 0.415 62 R N 0.157 120.667 120.500 0.017 0.000 2.388 62 R HA 0.655 4.995 4.340 0.000 0.000 0.314 62 R C -0.931 175.359 176.300 -0.016 0.000 0.959 62 R CA -0.796 55.303 56.100 -0.003 0.000 0.851 62 R CB 0.948 31.251 30.300 0.004 0.000 1.168 62 R HN 0.133 nan 8.270 nan 0.000 0.472 63 V N 4.020 123.918 119.914 -0.028 0.000 2.483 63 V HA 0.329 4.449 4.120 0.000 0.000 0.297 63 V C -0.072 175.989 176.094 -0.054 0.000 1.027 63 V CA -0.851 61.431 62.300 -0.030 0.000 0.855 63 V CB 1.165 32.980 31.823 -0.014 0.000 0.995 63 V HN 1.004 nan 8.190 nan 0.000 0.424 64 N N 3.449 122.111 118.700 -0.064 0.000 1.243 64 N HA -0.237 4.503 4.740 0.000 0.000 0.121 64 N C 0.235 175.655 175.510 -0.149 0.000 0.850 64 N CA 1.059 54.059 53.050 -0.083 0.000 0.883 64 N CB -0.410 38.042 38.487 -0.060 0.000 1.027 64 N HN 0.772 nan 8.380 nan 0.000 0.616 65 K N 0.942 121.247 120.400 -0.159 0.000 3.101 65 K HA 0.426 4.746 4.320 0.000 0.000 0.229 65 K C -0.614 175.871 176.600 -0.191 0.000 1.232 65 K CA -0.169 55.965 56.287 -0.256 0.000 1.210 65 K CB -0.083 32.297 32.500 -0.199 0.000 1.284 65 K HN 0.317 nan 8.250 nan 0.000 0.448 66 L N 0.258 121.392 121.223 -0.148 0.000 2.482 66 L HA 0.525 4.865 4.340 0.000 0.000 0.263 66 L C -1.563 175.277 176.870 -0.049 0.000 0.957 66 L CA -0.681 54.119 54.840 -0.068 0.000 0.836 66 L CB 1.524 43.568 42.059 -0.026 0.000 1.324 66 L HN 0.085 nan 8.230 nan 0.000 0.406 67 I N 3.825 124.392 120.570 -0.005 0.000 2.562 67 I HA 0.690 4.860 4.170 0.000 0.000 0.301 67 I C -0.507 175.629 176.117 0.031 0.000 1.003 67 I CA -0.603 60.707 61.300 0.016 0.000 1.127 67 I CB 1.926 39.957 38.000 0.053 0.000 1.304 67 I HN 0.740 nan 8.210 nan 0.000 0.446 68 C N 4.000 123.319 119.300 0.032 0.000 3.295 68 C HA 0.666 5.126 4.460 0.000 0.000 0.341 68 C C -0.963 174.050 174.990 0.038 0.000 1.418 68 C CA -0.240 58.807 59.018 0.048 0.000 1.240 68 C CB 1.981 29.761 27.740 0.066 0.000 1.562 68 C HN 0.514 nan 8.230 nan 0.000 0.457 69 V N 2.554 122.497 119.914 0.049 0.000 3.019 69 V HA 0.623 4.743 4.120 0.000 0.000 0.317 69 V C -0.618 175.504 176.094 0.047 0.000 1.094 69 V CA -0.736 61.589 62.300 0.041 0.000 1.000 69 V CB 1.963 33.809 31.823 0.038 0.000 1.060 69 V HN 0.687 nan 8.190 nan 0.000 0.443 70 K N 1.720 122.145 120.400 0.042 0.000 2.182 70 K HA 0.804 5.124 4.320 0.000 0.000 0.262 70 K C -0.491 176.133 176.600 0.040 0.000 0.957 70 K CA -0.265 56.046 56.287 0.040 0.000 0.842 70 K CB 1.906 34.428 32.500 0.036 0.000 1.099 70 K HN 0.864 nan 8.250 nan 0.000 0.438 71 A N 3.674 126.518 122.820 0.040 0.000 2.342 71 A HA 0.411 4.731 4.320 0.000 0.000 0.323 71 A C 1.215 178.819 177.584 0.033 0.000 1.125 71 A CA -0.761 51.299 52.037 0.039 0.000 0.785 71 A CB 0.549 19.576 19.000 0.045 0.000 1.221 71 A HN 0.795 nan 8.150 nan 0.000 0.463 72 L N 0.664 121.905 121.223 0.030 0.000 1.925 72 L HA 0.150 4.490 4.340 0.000 0.000 0.215 72 L C 1.141 178.025 176.870 0.023 0.000 1.082 72 L CA 1.481 56.336 54.840 0.024 0.000 0.764 72 L CB -0.372 41.700 42.059 0.022 0.000 0.887 72 L HN 0.578 nan 8.230 nan 0.000 0.432 73 K N 1.111 121.524 120.400 0.022 0.000 2.602 73 K HA 0.279 4.599 4.320 0.000 0.000 0.201 73 K C -0.439 176.176 176.600 0.025 0.000 1.070 73 K CA -0.278 56.020 56.287 0.019 0.000 1.026 73 K CB 0.521 33.029 32.500 0.012 0.000 1.534 73 K HN 0.433 nan 8.250 nan 0.000 0.560 74 T N 0.525 115.098 114.554 0.032 0.000 3.560 74 T HA 0.396 4.746 4.350 0.000 0.000 0.350 74 T C 0.464 175.192 174.700 0.046 0.000 1.264 74 T CA -0.631 61.495 62.100 0.042 0.000 0.924 74 T CB 0.405 69.303 68.868 0.050 0.000 1.997 74 T HN 0.315 nan 8.240 nan 0.000 0.553 75 R N -1.266 119.273 120.500 0.066 0.000 3.045 75 R HA 0.383 4.723 4.340 0.000 0.000 0.245 75 R C -0.932 175.465 176.300 0.162 0.000 1.333 75 R CA -0.809 55.346 56.100 0.090 0.000 1.036 75 R CB 0.504 30.853 30.300 0.082 0.000 1.340 75 R HN 0.706 nan 8.270 nan 0.000 0.488 76 Y N 1.287 121.596 120.300 0.015 0.000 2.304 76 Y HA 0.281 4.831 4.550 0.000 0.000 0.327 76 Y C 0.008 175.915 175.900 0.012 0.000 1.209 76 Y CA -0.568 57.544 58.100 0.021 0.000 1.299 76 Y CB 0.528 39.012 38.460 0.041 0.000 1.249 76 Y HN 0.437 nan 8.280 nan 0.000 0.519 77 I N 3.563 124.149 120.570 0.026 0.000 2.686 77 I HA 0.263 4.433 4.170 0.000 0.000 0.287 77 I C -0.009 176.005 176.117 -0.172 0.000 1.745 77 I CA -0.525 60.644 61.300 -0.218 0.000 0.782 77 I CB -0.542 37.398 38.000 -0.100 0.000 1.774 77 I HN 0.583 nan 8.210 nan 0.000 0.517 78 G N 1.399 110.014 108.800 -0.308 0.000 2.529 78 G HA2 0.634 4.594 3.960 0.000 0.000 0.277 78 G HA3 0.634 4.594 3.960 0.000 0.000 0.277 78 G C -0.397 174.468 174.900 -0.058 0.000 1.383 78 G CA -0.139 44.939 45.100 -0.037 0.000 1.050 78 G HN 0.552 nan 8.290 nan 0.000 0.526 79 E N -2.196 118.003 120.200 -0.002 0.000 2.390 79 E HA 0.470 4.820 4.350 0.000 0.000 0.277 79 E C -0.363 176.251 176.600 0.023 0.000 0.939 79 E CA -0.823 55.577 56.400 -0.000 0.000 0.769 79 E CB 2.705 32.407 29.700 0.002 0.000 1.251 79 E HN 0.420 nan 8.360 nan 0.000 0.450 80 V N -0.196 119.730 119.914 0.022 0.000 1.778 80 V HA -0.288 3.832 4.120 0.000 0.000 0.250 80 V C 0.787 176.907 176.094 0.043 0.000 0.761 80 V CA 1.005 63.324 62.300 0.032 0.000 2.944 80 V CB -1.145 30.701 31.823 0.039 0.000 1.077 80 V HN 1.005 nan 8.190 nan 0.000 0.229 81 G N 0.913 109.749 108.800 0.058 0.000 2.334 81 G HA2 0.443 4.403 3.960 0.000 0.000 0.261 81 G HA3 0.443 4.403 3.960 0.000 0.000 0.261 81 G C -0.687 174.279 174.900 0.110 0.000 1.257 81 G CA 0.377 45.527 45.100 0.084 0.000 0.935 81 G HN 0.665 nan 8.290 nan 0.000 0.480 82 D N 0.842 121.309 120.400 0.112 0.000 2.433 82 D HA 0.483 5.123 4.640 0.000 0.000 0.236 82 D C 0.145 176.523 176.300 0.130 0.000 1.026 82 D CA -0.231 53.840 54.000 0.118 0.000 0.884 82 D CB 2.274 43.147 40.800 0.121 0.000 1.384 82 D HN 0.436 nan 8.370 nan 0.000 0.477 83 I N -0.876 119.729 120.570 0.059 0.000 2.418 83 I HA 0.713 4.883 4.170 0.000 0.000 0.287 83 I C -0.785 175.320 176.117 -0.020 0.000 1.008 83 I CA -0.736 60.558 61.300 -0.010 0.000 1.104 83 I CB 1.679 39.572 38.000 -0.178 0.000 1.264 83 I HN -0.082 nan 8.210 nan 0.000 0.438 84 V N 5.187 125.113 119.914 0.020 0.000 3.204 84 V HA 0.427 4.547 4.120 0.000 0.000 0.298 84 V C -0.385 175.669 176.094 -0.066 0.000 1.328 84 V CA -0.683 61.620 62.300 0.005 0.000 1.035 84 V CB 2.716 34.616 31.823 0.127 0.000 1.095 84 V HN 0.590 nan 8.190 nan 0.000 0.442 85 V N 1.150 120.939 119.914 -0.207 0.000 2.630 85 V HA 0.934 5.054 4.120 0.000 0.000 0.305 85 V C 0.577 176.381 176.094 -0.484 0.000 1.046 85 V CA 0.116 62.191 62.300 -0.376 0.000 0.934 85 V CB 1.804 33.298 31.823 -0.547 0.000 1.003 85 V HN 1.079 nan 8.190 nan 0.000 0.451 86 G N 2.288 110.891 108.800 -0.327 0.000 2.569 86 G HA2 0.707 4.667 3.960 0.000 0.000 0.300 86 G HA3 0.707 4.667 3.960 0.000 0.000 0.300 86 G C -1.210 173.606 174.900 -0.140 0.000 1.269 86 G CA -0.852 44.158 45.100 -0.149 0.000 0.959 86 G HN 0.649 nan 8.290 nan 0.000 0.478 87 R N -0.199 120.329 120.500 0.048 0.000 2.598 87 R HA 0.660 5.000 4.340 0.000 0.000 0.279 87 R C -0.317 176.027 176.300 0.072 0.000 0.984 87 R CA -0.679 55.464 56.100 0.072 0.000 0.999 87 R CB 1.102 31.519 30.300 0.196 0.000 1.114 87 R HN 0.422 nan 8.270 nan 0.000 0.493 88 I N 2.336 122.940 120.570 0.057 0.000 2.498 88 I HA 0.336 4.506 4.170 0.000 0.000 0.301 88 I C 0.517 176.683 176.117 0.082 0.000 0.984 88 I CA -0.662 60.679 61.300 0.069 0.000 1.204 88 I CB 1.980 40.012 38.000 0.053 0.000 1.362 88 I HN 0.773 nan 8.210 nan 0.000 0.471 89 T N 0.916 115.526 114.554 0.092 0.000 2.797 89 T HA 0.411 4.761 4.350 0.000 0.000 0.267 89 T C -0.143 174.610 174.700 0.089 0.000 0.986 89 T CA -0.986 61.165 62.100 0.085 0.000 0.999 89 T CB 0.417 69.335 68.868 0.084 0.000 1.508 89 T HN 0.476 nan 8.240 nan 0.000 0.595 90 E N 0.003 120.250 120.200 0.077 0.000 2.383 90 E HA 0.491 4.841 4.350 0.000 0.000 0.264 90 E C -0.953 175.703 176.600 0.092 0.000 1.050 90 E CA -0.582 55.863 56.400 0.074 0.000 0.896 90 E CB 0.885 30.616 29.700 0.052 0.000 0.982 90 E HN 0.264 nan 8.360 nan 0.000 0.424 91 V N 2.497 122.470 119.914 0.099 0.000 2.628 91 V HA 0.190 4.310 4.120 0.000 0.000 0.306 91 V C -0.278 175.822 176.094 0.010 0.000 1.045 91 V CA -0.742 61.620 62.300 0.104 0.000 0.905 91 V CB 1.780 33.749 31.823 0.243 0.000 0.997 91 V HN 0.627 nan 8.190 nan 0.000 0.436 92 Q N 1.955 121.722 119.800 -0.055 0.000 2.297 92 Q HA 0.390 4.730 4.340 0.000 0.000 0.268 92 Q C 0.149 176.050 176.000 -0.164 0.000 1.045 92 Q CA -0.870 54.883 55.803 -0.084 0.000 0.861 92 Q CB 1.812 30.515 28.738 -0.059 0.000 1.344 92 Q HN 0.585 nan 8.270 nan 0.000 0.452 93 Q N 0.423 120.145 119.800 -0.129 0.000 2.480 93 Q HA -0.227 4.113 4.340 0.000 0.000 0.217 93 Q C 0.498 176.380 176.000 -0.197 0.000 0.993 93 Q CA 1.808 57.523 55.803 -0.146 0.000 0.908 93 Q CB 0.000 28.681 28.738 -0.095 0.000 0.927 93 Q HN 0.370 nan 8.270 nan 0.000 0.471 94 K N -1.236 119.028 120.400 -0.227 0.000 2.529 94 K HA 0.197 4.517 4.320 0.000 0.000 0.215 94 K C -0.199 176.193 176.600 -0.347 0.000 1.286 94 K CA -0.053 56.085 56.287 -0.248 0.000 0.997 94 K CB 1.130 33.544 32.500 -0.143 0.000 1.063 94 K HN 0.078 nan 8.250 nan 0.000 0.590 95 R N -0.382 119.899 120.500 -0.367 0.000 2.739 95 R HA 0.379 4.719 4.340 0.000 0.000 0.271 95 R C -1.507 174.605 176.300 -0.312 0.000 1.010 95 R CA -0.931 54.967 56.100 -0.336 0.000 0.897 95 R CB 0.936 31.180 30.300 -0.093 0.000 1.236 95 R HN -0.156 nan 8.270 nan 0.000 0.466 96 W N 1.354 122.678 121.300 0.040 0.000 2.520 96 W HA 0.444 5.104 4.660 0.000 0.000 0.323 96 W C -0.514 176.030 176.519 0.043 0.000 1.062 96 W CA -0.807 56.561 57.345 0.039 0.000 1.215 96 W CB 2.026 31.513 29.460 0.045 0.000 1.340 96 W HN 0.431 nan 8.180 nan 0.000 0.516 97 K N 2.502 123.049 120.400 0.245 0.000 2.339 97 K HA 0.471 4.791 4.320 0.000 0.000 0.264 97 K C -0.135 176.557 176.600 0.153 0.000 0.986 97 K CA -0.503 55.884 56.287 0.165 0.000 0.866 97 K CB 1.897 34.464 32.500 0.112 0.000 1.103 97 K HN 0.225 nan 8.250 nan 0.000 0.441 98 V N -1.039 118.959 119.914 0.140 0.000 3.096 98 V HA 0.499 4.619 4.120 0.000 0.000 0.319 98 V C -0.182 175.985 176.094 0.121 0.000 1.103 98 V CA -0.995 61.375 62.300 0.117 0.000 1.016 98 V CB 1.901 33.782 31.823 0.096 0.000 1.090 98 V HN 0.658 nan 8.190 nan 0.000 0.449 99 E N 1.146 121.425 120.200 0.133 0.000 2.195 99 E HA 0.666 5.016 4.350 0.000 0.000 0.271 99 E C -1.224 175.509 176.600 0.223 0.000 0.923 99 E CA -0.236 56.257 56.400 0.154 0.000 0.790 99 E CB 2.214 31.998 29.700 0.141 0.000 1.155 99 E HN 1.077 nan 8.360 nan 0.000 0.402 100 T N 0.866 115.552 114.554 0.219 0.000 3.172 100 T HA 0.307 4.657 4.350 0.000 0.000 0.320 100 T C -0.294 174.535 174.700 0.215 0.000 1.085 100 T CA -1.040 61.237 62.100 0.295 0.000 1.052 100 T CB 0.609 69.685 68.868 0.347 0.000 1.107 100 T HN 0.265 nan 8.240 nan 0.000 0.458 101 N N 3.469 122.247 118.700 0.131 0.000 2.360 101 N HA 0.227 4.967 4.740 0.000 0.000 0.292 101 N C -0.098 175.499 175.510 0.145 0.000 1.330 101 N CA 0.503 53.588 53.050 0.058 0.000 1.009 101 N CB -0.084 38.354 38.487 -0.081 0.000 1.419 101 N HN 0.975 nan 8.380 nan 0.000 0.487 102 S N 0.205 115.986 115.700 0.135 0.000 2.633 102 S HA 0.200 4.670 4.470 0.000 0.000 0.271 102 S C 0.469 175.118 174.600 0.082 0.000 1.112 102 S CA -1.078 57.204 58.200 0.137 0.000 0.828 102 S CB 1.878 65.196 63.200 0.198 0.000 1.086 102 S HN 0.463 nan 8.310 nan 0.000 0.461 103 R N 0.659 121.196 120.500 0.062 0.000 2.377 103 R HA 0.005 4.345 4.340 0.000 0.000 0.207 103 R C 0.126 176.449 176.300 0.037 0.000 1.075 103 R CA 0.686 56.812 56.100 0.044 0.000 1.035 103 R CB -1.318 29.006 30.300 0.040 0.000 0.857 103 R HN 0.691 nan 8.270 nan 0.000 0.475 104 L N -1.837 119.411 121.223 0.041 0.000 2.333 104 L HA 0.615 4.955 4.340 0.000 0.000 0.269 104 L C -0.435 176.471 176.870 0.060 0.000 1.010 104 L CA -1.108 53.751 54.840 0.031 0.000 0.818 104 L CB 1.612 43.664 42.059 -0.012 0.000 1.306 104 L HN -0.266 nan 8.230 nan 0.000 0.430 105 D N 0.731 121.167 120.400 0.059 0.000 2.433 105 D HA 0.418 5.058 4.640 0.000 0.000 0.236 105 D C -1.180 175.170 176.300 0.083 0.000 1.026 105 D CA -0.158 53.890 54.000 0.081 0.000 0.884 105 D CB 2.595 43.438 40.800 0.072 0.000 1.384 105 D HN 0.725 nan 8.370 nan 0.000 0.477 106 S N 0.982 116.746 115.700 0.107 0.000 2.437 106 S HA 0.634 5.104 4.470 0.000 0.000 0.305 106 S C -0.680 173.991 174.600 0.118 0.000 1.109 106 S CA -0.595 57.669 58.200 0.107 0.000 1.099 106 S CB 1.381 64.657 63.200 0.127 0.000 1.004 106 S HN 0.182 nan 8.310 nan 0.000 0.475 107 V N 4.837 124.823 119.914 0.120 0.000 2.588 107 V HA 0.566 4.686 4.120 0.000 0.000 0.304 107 V C -0.317 175.886 176.094 0.182 0.000 1.042 107 V CA -0.869 61.518 62.300 0.146 0.000 0.877 107 V CB 1.529 33.421 31.823 0.115 0.000 0.996 107 V HN 1.008 nan 8.190 nan 0.000 0.425 108 L N 4.012 125.387 121.223 0.253 0.000 2.342 108 L HA 0.929 5.269 4.340 0.000 0.000 0.271 108 L C -1.091 176.010 176.870 0.384 0.000 1.008 108 L CA -0.639 54.396 54.840 0.324 0.000 0.818 108 L CB 2.021 44.267 42.059 0.312 0.000 1.296 108 L HN 0.612 nan 8.230 nan 0.000 0.427 109 L N 2.700 124.100 121.223 0.295 0.000 2.354 109 L HA 0.512 4.852 4.340 0.000 0.000 0.264 109 L C -0.752 176.166 176.870 0.080 0.000 1.008 109 L CA -1.024 53.875 54.840 0.099 0.000 0.819 109 L CB 1.882 43.961 42.059 0.033 0.000 1.339 109 L HN 0.654 nan 8.230 nan 0.000 0.420 110 L N 4.236 125.381 121.223 -0.129 0.000 2.865 110 L HA 0.019 4.359 4.340 0.000 0.000 0.283 110 L C 0.653 177.506 176.870 -0.029 0.000 1.101 110 L CA 1.010 55.872 54.840 0.036 0.000 1.061 110 L CB -0.668 41.329 42.059 -0.104 0.000 1.437 110 L HN 0.702 nan 8.230 nan 0.000 0.460 111 S N -0.661 114.953 115.700 -0.143 0.000 2.551 111 S HA 0.151 4.621 4.470 0.000 0.000 0.236 111 S C 0.024 174.411 174.600 -0.354 0.000 0.915 111 S CA -0.235 57.835 58.200 -0.216 0.000 1.525 111 S CB 0.443 63.586 63.200 -0.095 0.000 1.256 111 S HN 0.446 nan 8.310 nan 0.000 0.641 112 S N 1.755 117.229 115.700 -0.375 0.000 2.317 112 S HA 0.390 4.860 4.470 0.000 0.000 0.208 112 S C -1.125 173.355 174.600 -0.199 0.000 0.849 112 S CA -0.382 57.658 58.200 -0.266 0.000 1.042 112 S CB 1.133 64.171 63.200 -0.269 0.000 1.316 112 S HN 0.317 nan 8.310 nan 0.000 0.386 113 M N 3.857 123.340 119.600 -0.196 0.000 2.151 113 M HA 0.500 4.980 4.480 0.000 0.000 0.229 113 M C -1.803 174.300 176.300 -0.330 0.000 1.029 113 M CA -0.016 55.101 55.300 -0.305 0.000 0.765 113 M CB 0.042 32.421 32.600 -0.367 0.000 1.969 113 M HN 0.352 nan 8.290 nan 0.000 0.352 129 L N 1.930 123.084 121.223 -0.115 0.000 2.376 129 L HA 0.060 4.400 4.340 0.000 0.000 0.219 129 L C 2.454 179.164 176.870 -0.266 0.000 1.133 129 L CA 0.996 55.750 54.840 -0.144 0.000 0.816 129 L CB -0.258 41.736 42.059 -0.109 0.000 0.933 129 L HN 0.216 nan 8.230 nan 0.000 0.449 130 A N 0.386 123.027 122.820 -0.299 0.000 1.903 130 A HA -0.319 4.001 4.320 0.000 0.000 0.219 130 A C 2.282 178.999 177.584 -1.446 0.000 1.191 130 A CA 2.341 54.008 52.037 -0.617 0.000 0.638 130 A CB -0.513 18.403 19.000 -0.140 0.000 0.823 130 A HN 0.387 nan 8.150 nan 0.000 0.451 131 M N -0.786 118.485 119.600 -0.548 0.000 2.086 131 M HA -0.169 4.311 4.480 0.000 0.000 0.261 131 M C 2.213 178.515 176.300 0.003 0.000 1.067 131 M CA 1.545 56.892 55.300 0.077 0.000 1.116 131 M CB -0.440 32.279 32.600 0.198 0.000 1.348 131 M HN 0.299 nan 8.290 nan 0.000 0.407 132 R N 0.486 120.922 120.500 -0.107 0.000 2.170 132 R HA -0.072 4.268 4.340 0.000 0.000 0.242 132 R C 2.176 178.391 176.300 -0.141 0.000 1.145 132 R CA 1.738 57.796 56.100 -0.070 0.000 0.984 132 R CB -1.917 28.335 30.300 -0.081 0.000 0.869 132 R HN 0.537 nan 8.270 nan 0.000 0.455 133 G N 0.226 108.845 108.800 -0.301 0.000 2.426 133 G HA2 -0.052 3.908 3.960 0.000 0.000 0.214 133 G HA3 -0.052 3.908 3.960 0.000 0.000 0.214 133 G C 1.366 176.185 174.900 -0.135 0.000 1.156 133 G CA -0.105 44.853 45.100 -0.237 0.000 0.802 133 G HN 0.227 nan 8.290 nan 0.000 0.534 134 F N 0.466 120.359 119.950 -0.095 0.000 1.979 134 F HA 0.099 4.626 4.527 0.000 0.000 0.295 134 F C 0.671 176.301 175.800 -0.283 0.000 1.222 134 F CA -0.190 57.690 58.000 -0.199 0.000 1.165 134 F CB -0.478 38.408 39.000 -0.191 0.000 0.968 134 F HN -0.140 nan 8.300 nan 0.000 0.493 135 L N 1.637 122.794 121.223 -0.111 0.000 2.288 135 L HA 0.219 4.559 4.340 0.000 0.000 0.283 135 L C 0.046 176.879 176.870 -0.062 0.000 1.072 135 L CA -0.233 54.473 54.840 -0.223 0.000 0.862 135 L CB 0.082 41.791 42.059 -0.584 0.000 1.245 135 L HN 0.130 nan 8.230 nan 0.000 0.432 136 Q N 1.050 120.829 119.800 -0.034 0.000 3.055 136 Q HA 0.021 4.361 4.340 0.000 0.000 0.190 136 Q C 1.291 177.318 176.000 0.044 0.000 1.173 136 Q CA 0.139 55.949 55.803 0.012 0.000 1.266 136 Q CB 0.426 29.182 28.738 0.030 0.000 1.338 136 Q HN 0.440 nan 8.270 nan 0.000 0.707 137 E N -0.082 120.149 120.200 0.051 0.000 1.928 137 E HA -0.086 4.264 4.350 0.000 0.000 0.215 137 E C 0.346 176.983 176.600 0.061 0.000 0.964 137 E CA 1.562 57.997 56.400 0.059 0.000 0.882 137 E CB -1.038 28.694 29.700 0.054 0.000 0.814 137 E HN 0.628 nan 8.360 nan 0.000 0.565 138 G N 1.293 110.129 108.800 0.059 0.000 2.415 138 G HA2 0.440 4.400 3.960 0.000 0.000 0.317 138 G HA3 0.440 4.400 3.960 0.000 0.000 0.317 138 G C -1.120 173.809 174.900 0.049 0.000 1.152 138 G CA -0.428 44.707 45.100 0.058 0.000 0.956 138 G HN 0.005 nan 8.290 nan 0.000 0.458 139 D N 0.695 121.110 120.400 0.025 0.000 2.531 139 D HA 0.540 5.180 4.640 0.000 0.000 0.244 139 D C -0.347 175.913 176.300 -0.067 0.000 1.090 139 D CA -0.572 53.426 54.000 -0.004 0.000 0.989 139 D CB 1.849 42.647 40.800 -0.003 0.000 1.433 139 D HN 0.257 nan 8.370 nan 0.000 0.492 140 L N 1.054 122.185 121.223 -0.152 0.000 2.287 140 L HA 0.623 4.963 4.340 0.000 0.000 0.287 140 L C -0.967 175.682 176.870 -0.369 0.000 1.022 140 L CA -0.683 53.968 54.840 -0.315 0.000 0.814 140 L CB 0.548 42.313 42.059 -0.489 0.000 1.217 140 L HN 0.168 nan 8.230 nan 0.000 0.420 141 I N 1.125 121.498 120.570 -0.328 0.000 2.730 141 I HA 0.413 4.583 4.170 0.000 0.000 0.298 141 I C 0.199 176.160 176.117 -0.261 0.000 1.089 141 I CA -0.007 61.128 61.300 -0.274 0.000 1.041 141 I CB 2.317 40.206 38.000 -0.185 0.000 1.235 141 I HN 0.460 nan 8.210 nan 0.000 0.423 142 S N 2.313 117.881 115.700 -0.219 0.000 2.686 142 S HA 0.949 5.419 4.470 0.000 0.000 0.270 142 S C -0.283 174.297 174.600 -0.033 0.000 1.194 142 S CA -0.319 57.790 58.200 -0.152 0.000 0.990 142 S CB 1.528 64.635 63.200 -0.154 0.000 1.029 142 S HN 0.907 nan 8.310 nan 0.000 0.560 143 A N 0.411 123.264 122.820 0.055 0.000 2.566 143 A HA 0.632 4.952 4.320 0.000 0.000 0.290 143 A C -1.527 176.271 177.584 0.356 0.000 1.071 143 A CA -0.684 51.458 52.037 0.176 0.000 0.658 143 A CB 1.087 20.149 19.000 0.103 0.000 1.285 143 A HN 0.686 nan 8.150 nan 0.000 0.427 144 E N 0.622 121.029 120.200 0.346 0.000 2.199 144 E HA 0.591 4.941 4.350 0.000 0.000 0.269 144 E C -1.617 175.078 176.600 0.158 0.000 0.899 144 E CA -0.521 56.069 56.400 0.316 0.000 0.772 144 E CB 1.861 31.568 29.700 0.012 0.000 1.155 144 E HN 0.442 nan 8.360 nan 0.000 0.408 145 V N 5.256 125.247 119.914 0.129 0.000 2.311 145 V HA 0.042 4.162 4.120 0.000 0.000 0.275 145 V C 0.939 177.045 176.094 0.020 0.000 1.022 145 V CA -0.383 61.958 62.300 0.067 0.000 0.830 145 V CB 1.045 32.906 31.823 0.063 0.000 1.012 145 V HN 0.771 nan 8.190 nan 0.000 0.452 146 Q N 3.740 123.518 119.800 -0.037 0.000 1.917 146 Q HA 0.226 4.566 4.340 0.000 0.000 0.205 146 Q C 0.669 176.638 176.000 -0.051 0.000 0.988 146 Q CA 1.899 57.651 55.803 -0.085 0.000 0.851 146 Q CB 0.056 28.665 28.738 -0.216 0.000 0.916 146 Q HN 0.975 nan 8.270 nan 0.000 0.424 147 A N -1.698 121.094 122.820 -0.048 0.000 2.605 147 A HA 0.600 4.920 4.320 0.000 0.000 0.294 147 A C -1.718 175.878 177.584 0.020 0.000 1.062 147 A CA -0.671 51.361 52.037 -0.008 0.000 0.682 147 A CB 1.475 20.470 19.000 -0.008 0.000 1.278 147 A HN 0.007 nan 8.150 nan 0.000 0.410 148 V N 2.004 121.945 119.914 0.045 0.000 2.409 148 V HA 0.600 4.720 4.120 0.000 0.000 0.291 148 V C -0.891 175.291 176.094 0.147 0.000 1.020 148 V CA -0.259 62.074 62.300 0.054 0.000 0.848 148 V CB 1.108 32.921 31.823 -0.017 0.000 0.990 148 V HN 0.803 nan 8.190 nan 0.000 0.430 149 F N 3.451 123.388 119.950 -0.021 0.000 2.523 149 F HA 0.413 4.940 4.527 0.000 0.000 0.329 149 F C 1.725 177.523 175.800 -0.003 0.000 1.061 149 F CA -0.035 57.958 58.000 -0.012 0.000 0.967 149 F CB 2.373 41.365 39.000 -0.012 0.000 1.218 149 F HN 0.577 nan 8.300 nan 0.000 0.480 150 S N 0.585 115.720 115.700 -0.941 0.000 2.448 150 S HA -0.307 4.163 4.470 0.000 0.000 0.247 150 S C 1.258 175.692 174.600 -0.277 0.000 1.033 150 S CA 1.596 59.425 58.200 -0.618 0.000 1.003 150 S CB -1.064 61.641 63.200 -0.824 0.000 0.786 150 S HN 0.787 nan 8.310 nan 0.000 0.495 151 D N 1.859 122.188 120.400 -0.118 0.000 2.400 151 D HA 0.033 4.673 4.640 0.000 0.000 0.242 151 D C 1.154 177.463 176.300 0.014 0.000 1.077 151 D CA 0.669 54.691 54.000 0.038 0.000 0.943 151 D CB -1.547 39.356 40.800 0.171 0.000 0.882 151 D HN 0.742 nan 8.370 nan 0.000 0.529 152 G N -0.029 108.754 108.800 -0.029 0.000 2.386 152 G HA2 0.031 3.991 3.960 0.000 0.000 0.295 152 G HA3 0.031 3.991 3.960 0.000 0.000 0.295 152 G C 0.180 175.086 174.900 0.010 0.000 0.979 152 G CA 0.436 45.527 45.100 -0.015 0.000 1.193 152 G HN 0.965 nan 8.290 nan 0.000 0.508 153 A N -1.237 121.596 122.820 0.021 0.000 2.612 153 A HA 0.875 5.195 4.320 0.000 0.000 0.293 153 A C -0.556 177.040 177.584 0.021 0.000 1.075 153 A CA 0.067 52.121 52.037 0.029 0.000 0.680 153 A CB 2.094 21.122 19.000 0.047 0.000 1.279 153 A HN 1.804 nan 8.150 nan 0.000 0.411 154 V N 1.839 121.762 119.914 0.014 0.000 2.417 154 V HA 0.748 4.868 4.120 0.000 0.000 0.291 154 V C 0.126 176.243 176.094 0.039 0.000 1.024 154 V CA 0.403 62.703 62.300 -0.001 0.000 0.861 154 V CB 1.409 33.203 31.823 -0.048 0.000 0.985 154 V HN 1.680 nan 8.190 nan 0.000 0.436 155 S N 7.665 123.387 115.700 0.037 0.000 2.578 155 S HA 0.860 5.330 4.470 0.000 0.000 0.301 155 S C -0.976 173.670 174.600 0.078 0.000 1.091 155 S CA -0.774 57.464 58.200 0.063 0.000 1.032 155 S CB 1.652 64.869 63.200 0.028 0.000 1.064 155 S HN 0.741 nan 8.310 nan 0.000 0.508 156 L N 2.048 123.369 121.223 0.163 0.000 2.388 156 L HA 0.609 4.949 4.340 0.000 0.000 0.264 156 L C -1.345 175.784 176.870 0.432 0.000 0.998 156 L CA -0.817 54.146 54.840 0.204 0.000 0.817 156 L CB 2.175 44.328 42.059 0.157 0.000 1.338 156 L HN 0.737 nan 8.230 nan 0.000 0.414 157 H N -0.037 119.057 119.070 0.039 0.000 3.018 157 H HA 0.363 4.919 4.556 0.000 0.000 0.334 157 H C -0.277 175.026 175.328 -0.041 0.000 0.983 157 H CA -0.836 55.216 56.048 0.007 0.000 1.363 157 H CB 1.860 31.613 29.762 -0.013 0.000 1.668 157 H HN 0.707 nan 8.280 nan 0.000 0.513 158 T N -0.501 114.055 114.554 0.004 0.000 2.793 158 T HA 0.491 4.841 4.350 0.000 0.000 0.299 158 T C 0.924 175.536 174.700 -0.146 0.000 1.038 158 T CA -0.254 61.827 62.100 -0.033 0.000 0.948 158 T CB 2.053 70.894 68.868 -0.044 0.000 1.231 158 T HN 0.668 nan 8.240 nan 0.000 0.538 159 R N -1.725 118.689 120.500 -0.142 0.000 3.464 159 R HA 0.248 4.588 4.340 0.000 0.000 0.053 159 R C 0.467 176.746 176.300 -0.036 0.000 0.786 159 R CA 0.276 56.269 56.100 -0.179 0.000 2.479 159 R CB -0.060 29.990 30.300 -0.416 0.000 1.406 159 R HN 0.662 nan 8.270 nan 0.000 0.473 160 S N -0.578 115.211 115.700 0.148 0.000 2.894 160 S HA 0.382 4.852 4.470 0.000 0.000 0.298 160 S C 0.175 174.851 174.600 0.127 0.000 1.054 160 S CA -0.652 57.644 58.200 0.159 0.000 0.903 160 S CB 0.860 64.202 63.200 0.237 0.000 1.356 160 S HN 0.218 nan 8.310 nan 0.000 0.626 161 L N 0.693 121.952 121.223 0.060 0.000 2.592 161 L HA 0.247 4.587 4.340 0.000 0.000 0.227 161 L C 1.214 178.060 176.870 -0.040 0.000 1.127 161 L CA 0.545 55.380 54.840 -0.008 0.000 0.884 161 L CB -0.176 41.864 42.059 -0.030 0.000 1.065 161 L HN 0.510 nan 8.230 nan 0.000 0.457 162 K N -0.575 119.824 120.400 -0.002 0.000 2.365 162 K HA 0.009 4.329 4.320 0.000 0.000 0.197 162 K C -0.595 175.746 176.600 -0.432 0.000 1.042 162 K CA 0.745 56.915 56.287 -0.196 0.000 0.987 162 K CB 0.323 32.702 32.500 -0.202 0.000 0.779 162 K HN 0.221 nan 8.250 nan 0.000 0.484 163 Y N -0.342 119.947 120.300 -0.018 0.000 2.569 163 Y HA 0.394 4.944 4.550 0.000 0.000 0.310 163 Y C 0.179 176.032 175.900 -0.079 0.000 1.021 163 Y CA -1.173 56.905 58.100 -0.036 0.000 1.152 163 Y CB 0.893 39.348 38.460 -0.008 0.000 1.140 163 Y HN -0.097 nan 8.280 nan 0.000 0.621 164 G N 0.110 108.910 108.800 0.001 0.000 2.685 164 G HA2 0.499 4.459 3.960 0.000 0.000 0.298 164 G HA3 0.499 4.459 3.960 0.000 0.000 0.298 164 G C -1.271 173.554 174.900 -0.125 0.000 1.277 164 G CA -0.979 44.088 45.100 -0.055 0.000 0.986 164 G HN -0.073 nan 8.290 nan 0.000 0.487 165 K N -0.123 120.211 120.400 -0.110 0.000 2.185 165 K HA 0.507 4.827 4.320 0.000 0.000 0.271 165 K C -0.597 175.910 176.600 -0.156 0.000 1.013 165 K CA -0.147 56.066 56.287 -0.124 0.000 0.943 165 K CB 0.580 33.062 32.500 -0.030 0.000 0.998 165 K HN 0.382 nan 8.250 nan 0.000 0.468 166 L N 0.980 122.029 121.223 -0.290 0.000 2.376 166 L HA 0.717 5.057 4.340 0.000 0.000 0.258 166 L C 0.273 176.933 176.870 -0.350 0.000 1.013 166 L CA -1.252 53.332 54.840 -0.427 0.000 0.822 166 L CB 2.510 44.012 42.059 -0.928 0.000 1.388 166 L HN 0.753 nan 8.230 nan 0.000 0.413 167 G N -0.373 108.366 108.800 -0.101 0.000 2.690 167 G HA2 0.573 4.533 3.960 0.000 0.000 0.293 167 G HA3 0.573 4.533 3.960 0.000 0.000 0.293 167 G C -1.062 174.124 174.900 0.476 0.000 1.399 167 G CA 0.169 45.339 45.100 0.118 0.000 0.890 167 G HN 0.460 nan 8.290 nan 0.000 0.485 168 Q N -0.712 119.331 119.800 0.406 0.000 7.781 168 Q HA 0.109 4.449 4.340 0.000 0.000 0.364 168 Q C 0.644 176.727 176.000 0.139 0.000 0.930 168 Q CA 1.471 57.401 55.803 0.212 0.000 0.562 168 Q CB -0.852 27.910 28.738 0.041 0.000 0.256 168 Q HN 2.336 nan 8.270 nan 0.000 0.880 169 G N 0.677 109.597 108.800 0.200 0.000 2.334 169 G HA2 0.124 4.084 3.960 0.000 0.000 0.222 169 G HA3 0.124 4.084 3.960 0.000 0.000 0.222 169 G C -0.891 174.017 174.900 0.012 0.000 1.077 169 G CA 0.077 45.258 45.100 0.136 0.000 0.861 169 G HN 0.461 nan 8.290 nan 0.000 0.508 170 V N 1.969 121.797 119.914 -0.143 0.000 2.380 170 V HA 0.599 4.719 4.120 0.000 0.000 0.268 170 V C 0.294 176.367 176.094 -0.036 0.000 1.008 170 V CA -0.690 61.458 62.300 -0.252 0.000 0.823 170 V CB 1.075 32.590 31.823 -0.513 0.000 1.053 170 V HN 0.734 nan 8.190 nan 0.000 0.446 171 L N 2.466 123.829 121.223 0.233 0.000 2.342 171 L HA 1.016 5.356 4.340 0.000 0.000 0.271 171 L C -0.996 176.031 176.870 0.263 0.000 1.008 171 L CA -0.827 54.255 54.840 0.403 0.000 0.818 171 L CB 2.324 44.689 42.059 0.511 0.000 1.296 171 L HN 0.191 nan 8.230 nan 0.000 0.427 172 V N 2.126 122.218 119.914 0.297 0.000 2.495 172 V HA 0.408 4.528 4.120 0.000 0.000 0.298 172 V C -0.461 175.687 176.094 0.090 0.000 1.031 172 V CA -0.493 61.899 62.300 0.154 0.000 0.871 172 V CB 1.630 33.521 31.823 0.113 0.000 0.988 172 V HN 0.778 nan 8.190 nan 0.000 0.432 173 Q N 4.045 123.833 119.800 -0.020 0.000 2.400 173 Q HA 0.561 4.901 4.340 0.000 0.000 0.255 173 Q C -0.499 175.447 176.000 -0.091 0.000 1.008 173 Q CA -0.234 55.483 55.803 -0.144 0.000 0.841 173 Q CB 2.063 30.719 28.738 -0.137 0.000 1.220 173 Q HN 0.774 nan 8.270 nan 0.000 0.474 174 V N -0.345 119.511 119.914 -0.098 0.000 2.876 174 V HA 0.580 4.700 4.120 0.000 0.000 0.312 174 V C -0.124 175.931 176.094 -0.065 0.000 1.085 174 V CA -0.800 61.467 62.300 -0.056 0.000 0.945 174 V CB 2.346 34.158 31.823 -0.019 0.000 1.017 174 V HN 0.584 nan 8.190 nan 0.000 0.428 175 S N 5.965 121.641 115.700 -0.041 0.000 2.546 175 S HA 0.182 4.652 4.470 0.000 0.000 0.290 175 S C -1.372 173.209 174.600 -0.032 0.000 1.262 175 S CA 0.229 58.410 58.200 -0.032 0.000 1.083 175 S CB 0.883 64.076 63.200 -0.011 0.000 0.859 175 S HN 0.901 nan 8.310 nan 0.000 0.495 176 P HA -0.114 nan 4.420 nan 0.000 0.227 176 P C 0.849 178.140 177.300 -0.015 0.000 1.145 176 P CA 0.823 63.880 63.100 -0.071 0.000 0.769 176 P CB -0.196 31.445 31.700 -0.099 0.000 0.769 177 S N -1.062 114.643 115.700 0.007 0.000 2.561 177 S HA 0.037 4.507 4.470 0.000 0.000 0.225 177 S C 1.138 175.756 174.600 0.030 0.000 0.977 177 S CA 0.023 58.238 58.200 0.025 0.000 0.926 177 S CB -0.931 62.285 63.200 0.026 0.000 0.769 177 S HN 0.138 nan 8.310 nan 0.000 0.533 178 L N 3.096 124.333 121.223 0.022 0.000 2.719 178 L HA 0.490 4.830 4.340 0.000 0.000 0.236 178 L C -0.342 176.561 176.870 0.055 0.000 1.285 178 L CA -0.634 54.227 54.840 0.036 0.000 1.222 178 L CB 0.237 42.308 42.059 0.020 0.000 1.493 178 L HN 0.253 nan 8.230 nan 0.000 0.415 179 V N -3.028 116.929 119.914 0.071 0.000 3.147 179 V HA 0.658 4.778 4.120 0.000 0.000 0.306 179 V C -0.412 175.746 176.094 0.108 0.000 1.209 179 V CA -0.742 61.613 62.300 0.092 0.000 1.023 179 V CB 2.686 34.542 31.823 0.055 0.000 1.059 179 V HN 0.164 nan 8.190 nan 0.000 0.435 180 K N 1.323 121.794 120.400 0.119 0.000 2.847 180 K HA 0.657 4.977 4.320 0.000 0.000 0.251 180 K C 0.369 176.986 176.600 0.028 0.000 1.299 180 K CA 0.199 56.524 56.287 0.062 0.000 0.926 180 K CB 0.700 33.208 32.500 0.013 0.000 1.824 180 K HN 0.851 nan 8.250 nan 0.000 0.388 181 R N -0.579 119.938 120.500 0.028 0.000 2.752 181 R HA 0.162 4.502 4.340 0.000 0.000 0.271 181 R C 0.254 176.618 176.300 0.106 0.000 1.026 181 R CA -0.344 55.782 56.100 0.043 0.000 0.901 181 R CB 1.310 31.618 30.300 0.013 0.000 1.243 181 R HN 0.415 nan 8.270 nan 0.000 0.463 182 Q N 1.048 120.936 119.800 0.148 0.000 2.172 182 Q HA -0.031 4.309 4.340 0.000 0.000 0.200 182 Q C 0.793 177.070 176.000 0.463 0.000 0.964 182 Q CA 1.152 57.165 55.803 0.350 0.000 0.855 182 Q CB 0.080 29.089 28.738 0.452 0.000 0.918 182 Q HN 0.402 nan 8.270 nan 0.000 0.444 183 K N 0.875 121.412 120.400 0.229 0.000 2.044 183 K HA -0.132 4.188 4.320 0.000 0.000 0.210 183 K C 1.836 178.520 176.600 0.140 0.000 1.049 183 K CA 1.986 58.361 56.287 0.148 0.000 0.927 183 K CB -0.266 32.268 32.500 0.058 0.000 0.713 183 K HN 0.495 nan 8.250 nan 0.000 0.443 184 T N -1.186 113.414 114.554 0.077 0.000 3.312 184 T HA 0.048 4.398 4.350 0.000 0.000 0.251 184 T C 0.221 174.901 174.700 -0.032 0.000 1.012 184 T CA -0.368 61.723 62.100 -0.015 0.000 0.925 184 T CB -0.194 68.602 68.868 -0.120 0.000 1.049 184 T HN 0.130 nan 8.240 nan 0.000 0.583 185 H N 0.519 119.638 119.070 0.083 0.000 2.771 185 H HA 0.447 5.003 4.556 0.000 0.000 0.344 185 H C -0.652 174.879 175.328 0.338 0.000 1.260 185 H CA -1.012 55.053 56.048 0.030 0.000 1.276 185 H CB 1.026 30.629 29.762 -0.265 0.000 1.881 185 H HN 0.219 nan 8.280 nan 0.000 0.615 186 F N 1.709 121.801 119.950 0.236 0.000 2.535 186 F HA -0.173 4.354 4.527 0.000 0.000 0.386 186 F C -0.275 175.651 175.800 0.210 0.000 1.115 186 F CA 0.880 59.040 58.000 0.266 0.000 1.261 186 F CB -2.029 37.108 39.000 0.229 0.000 1.785 186 F HN 0.663 nan 8.300 nan 0.000 0.793 187 H N -0.638 118.444 119.070 0.020 0.000 3.046 187 H HA 0.740 5.296 4.556 0.000 0.000 0.361 187 H C -1.513 173.820 175.328 0.008 0.000 1.235 187 H CA -1.321 54.743 56.048 0.027 0.000 1.146 187 H CB 2.076 31.835 29.762 -0.004 0.000 1.859 187 H HN 0.114 nan 8.280 nan 0.000 0.548 188 D N 2.212 122.608 120.400 -0.008 0.000 2.505 188 D HA 0.462 5.102 4.640 0.000 0.000 0.249 188 D C 0.043 176.307 176.300 -0.060 0.000 1.082 188 D CA -0.411 53.539 54.000 -0.083 0.000 0.839 188 D CB 2.787 43.594 40.800 0.012 0.000 1.317 188 D HN 0.348 nan 8.370 nan 0.000 0.497 189 L N 2.061 123.200 121.223 -0.139 0.000 2.341 189 L HA 0.411 4.751 4.340 0.000 0.000 0.267 189 L C -2.133 174.657 176.870 -0.134 0.000 1.009 189 L CA -2.041 52.742 54.840 -0.094 0.000 0.819 189 L CB 2.414 44.415 42.059 -0.096 0.000 1.323 189 L HN 0.089 nan 8.230 nan 0.000 0.425 190 P HA 0.006 nan 4.420 nan 0.000 0.259 190 P C 0.303 177.550 177.300 -0.088 0.000 1.635 190 P CA -0.068 62.995 63.100 -0.063 0.000 1.199 190 P CB -0.079 31.612 31.700 -0.015 0.000 1.850 191 C N -0.332 118.852 119.300 -0.192 0.000 3.911 191 C HA 0.641 5.101 4.460 0.000 0.000 0.318 191 C C 1.427 176.357 174.990 -0.099 0.000 1.643 191 C CA 0.370 59.211 59.018 -0.294 0.000 1.845 191 C CB -0.630 26.457 27.740 -1.088 0.000 2.981 191 C HN 0.493 nan 8.230 nan 0.000 0.656 192 G N 0.791 109.533 108.800 -0.096 0.000 2.179 192 G HA2 0.391 4.351 3.960 0.000 0.000 0.220 192 G HA3 0.391 4.351 3.960 0.000 0.000 0.220 192 G C 0.043 174.875 174.900 -0.114 0.000 0.990 192 G CA 0.317 45.376 45.100 -0.068 0.000 0.646 192 G HN 2.058 nan 8.290 nan 0.000 0.517 193 A N -1.064 121.647 122.820 -0.180 0.000 2.610 193 A HA 0.890 5.210 4.320 0.000 0.000 0.291 193 A C -0.456 176.950 177.584 -0.296 0.000 1.086 193 A CA 0.479 52.378 52.037 -0.231 0.000 0.677 193 A CB 1.107 19.939 19.000 -0.280 0.000 1.278 193 A HN 1.249 nan 8.150 nan 0.000 0.414 194 S N -0.374 115.108 115.700 -0.364 0.000 2.500 194 S HA 0.706 5.176 4.470 0.000 0.000 0.301 194 S C -0.697 173.368 174.600 -0.891 0.000 1.092 194 S CA -0.489 57.468 58.200 -0.404 0.000 1.030 194 S CB 1.573 64.713 63.200 -0.100 0.000 1.031 194 S HN 0.845 nan 8.310 nan 0.000 0.483 195 V N 3.553 123.046 119.914 -0.702 0.000 2.864 195 V HA 0.627 4.747 4.120 0.000 0.000 0.314 195 V C -0.469 175.413 176.094 -0.353 0.000 1.073 195 V CA -0.758 61.127 62.300 -0.691 0.000 0.956 195 V CB 1.959 33.504 31.823 -0.464 0.000 1.023 195 V HN 0.865 nan 8.190 nan 0.000 0.435 196 I N 3.983 124.540 120.570 -0.023 0.000 2.647 196 I HA 0.662 4.832 4.170 0.000 0.000 0.295 196 I C -1.277 174.933 176.117 0.156 0.000 1.078 196 I CA -0.765 60.606 61.300 0.117 0.000 1.048 196 I CB 1.811 40.014 38.000 0.338 0.000 1.239 196 I HN 0.678 nan 8.210 nan 0.000 0.421 197 L N 4.531 125.871 121.223 0.196 0.000 2.354 197 L HA 0.972 5.312 4.340 0.000 0.000 0.264 197 L C -0.365 176.634 176.870 0.214 0.000 1.008 197 L CA -0.695 54.269 54.840 0.206 0.000 0.819 197 L CB 1.691 43.853 42.059 0.171 0.000 1.339 197 L HN 0.563 nan 8.230 nan 0.000 0.420 198 G N 0.063 108.919 108.800 0.093 0.000 2.410 198 G HA2 0.223 4.183 3.960 0.000 0.000 0.330 198 G HA3 0.223 4.183 3.960 0.000 0.000 0.330 198 G C 0.135 174.987 174.900 -0.080 0.000 1.142 198 G CA -0.754 44.335 45.100 -0.019 0.000 0.902 198 G HN 0.758 nan 8.290 nan 0.000 0.491 199 N N 0.801 119.436 118.700 -0.109 0.000 2.760 199 N HA -0.097 4.643 4.740 0.000 0.000 0.200 199 N C 0.592 175.901 175.510 -0.336 0.000 1.306 199 N CA 0.664 53.665 53.050 -0.081 0.000 0.957 199 N CB -0.103 38.439 38.487 0.091 0.000 1.041 199 N HN 0.732 nan 8.380 nan 0.000 0.448 200 N N -1.264 117.080 118.700 -0.592 0.000 2.890 200 N HA 0.242 4.982 4.740 0.000 0.000 0.317 200 N C -0.048 175.292 175.510 -0.285 0.000 1.355 200 N CA -0.623 51.893 53.050 -0.890 0.000 0.803 200 N CB 0.450 38.183 38.487 -1.257 0.000 1.465 200 N HN -0.182 nan 8.380 nan 0.000 0.591 201 G N -0.209 108.469 108.800 -0.203 0.000 2.663 201 G HA2 0.532 4.492 3.960 0.000 0.000 0.320 201 G HA3 0.532 4.492 3.960 0.000 0.000 0.320 201 G C -1.391 173.476 174.900 -0.055 0.000 0.937 201 G CA -0.489 44.556 45.100 -0.091 0.000 1.332 201 G HN 0.411 nan 8.290 nan 0.000 0.461 202 F N 2.552 122.466 119.950 -0.061 0.000 2.749 202 F HA 0.363 4.891 4.527 0.000 0.000 0.339 202 F C -1.316 174.505 175.800 0.036 0.000 1.211 202 F CA -1.029 56.965 58.000 -0.010 0.000 1.099 202 F CB 1.777 40.757 39.000 -0.035 0.000 1.359 202 F HN 0.178 nan 8.300 nan 0.000 0.549 203 I N 4.269 125.057 120.570 0.364 0.000 2.533 203 I HA 0.340 4.510 4.170 0.000 0.000 0.290 203 I C -1.352 174.939 176.117 0.290 0.000 1.056 203 I CA -0.603 60.840 61.300 0.237 0.000 1.057 203 I CB 1.640 39.718 38.000 0.129 0.000 1.240 203 I HN 0.452 nan 8.210 nan 0.000 0.423 204 W N 7.187 128.511 121.300 0.040 0.000 2.632 204 W HA 0.790 5.450 4.660 0.000 0.000 0.328 204 W C -1.453 175.056 176.519 -0.017 0.000 1.044 204 W CA -0.779 56.590 57.345 0.040 0.000 1.225 204 W CB 1.390 30.885 29.460 0.059 0.000 1.396 204 W HN 0.208 nan 8.180 nan 0.000 0.499 205 I N 7.366 127.634 120.570 -0.502 0.000 2.389 205 I HA 0.327 4.497 4.170 0.000 0.000 0.288 205 I C -0.581 174.987 176.117 -0.916 0.000 0.999 205 I CA -0.940 59.971 61.300 -0.648 0.000 1.129 205 I CB 0.487 38.215 38.000 -0.452 0.000 1.288 205 I HN 0.316 nan 8.210 nan 0.000 0.444 206 Y N 5.452 125.409 120.300 -0.572 0.000 2.633 206 Y HA 0.957 5.507 4.550 0.000 0.000 0.339 206 Y C -3.019 172.724 175.900 -0.262 0.000 1.045 206 Y CA -3.252 54.537 58.100 -0.518 0.000 1.098 206 Y CB 0.909 39.194 38.460 -0.293 0.000 1.296 206 Y HN 0.300 nan 8.280 nan 0.000 0.494 207 P HA 0.207 nan 4.420 nan 0.000 0.296 207 P C -0.849 176.495 177.300 0.073 0.000 1.310 207 P CA -0.413 62.667 63.100 -0.033 0.000 0.900 207 P CB 1.886 33.549 31.700 -0.062 0.000 1.111 208 T N 4.889 119.456 114.554 0.021 0.000 2.830 208 T HA 0.030 4.380 4.350 0.000 0.000 0.282 208 T C -1.597 173.101 174.700 -0.002 0.000 1.024 208 T CA 0.120 62.241 62.100 0.035 0.000 1.144 208 T CB -0.932 67.930 68.868 -0.009 0.000 1.035 208 T HN 0.450 nan 8.240 nan 0.000 0.507 209 P HA 0.238 nan 4.420 nan 0.000 0.272 209 P C -0.560 176.608 177.300 -0.220 0.000 1.230 209 P CA -0.402 62.591 63.100 -0.178 0.000 0.788 209 P CB 0.702 32.322 31.700 -0.132 0.000 0.949 210 E N -0.033 119.938 120.200 -0.382 0.000 4.052 210 E HA 0.189 4.539 4.350 0.000 0.000 0.219 210 E C 0.021 176.491 176.600 -0.216 0.000 1.166 210 E CA -0.390 55.881 56.400 -0.215 0.000 1.338 210 E CB 0.039 29.657 29.700 -0.136 0.000 1.212 210 E HN 0.471 nan 8.360 nan 0.000 0.432 219 F N 1.258 121.213 119.950 0.008 0.000 2.188 219 F HA 0.289 4.816 4.527 0.000 0.000 0.289 219 F C 2.338 178.155 175.800 0.029 0.000 1.082 219 F CA 0.954 58.960 58.000 0.010 0.000 1.282 219 F CB 0.103 39.107 39.000 0.007 0.000 1.060 219 F HN 0.260 nan 8.300 nan 0.000 0.493 220 I N 0.597 121.241 120.570 0.124 0.000 2.567 220 I HA -0.272 3.898 4.170 0.000 0.000 0.257 220 I C 2.574 178.677 176.117 -0.024 0.000 1.184 220 I CA 0.815 62.131 61.300 0.026 0.000 1.451 220 I CB -1.117 36.942 38.000 0.099 0.000 1.089 220 I HN 0.233 nan 8.210 nan 0.000 0.441 221 A N 1.726 124.549 122.820 0.006 0.000 1.944 221 A HA -0.300 4.020 4.320 0.000 0.000 0.222 221 A C 2.016 179.584 177.584 -0.027 0.000 1.237 221 A CA 2.563 54.607 52.037 0.011 0.000 0.668 221 A CB -0.700 18.329 19.000 0.049 0.000 0.830 221 A HN 0.519 nan 8.150 nan 0.000 0.471 222 N N -1.121 117.544 118.700 -0.059 0.000 2.299 222 N HA 0.096 4.836 4.740 0.000 0.000 0.187 222 N C 1.105 176.574 175.510 -0.069 0.000 1.099 222 N CA 0.215 53.233 53.050 -0.054 0.000 0.867 222 N CB 0.018 38.488 38.487 -0.028 0.000 0.974 222 N HN 0.287 nan 8.380 nan 0.000 0.477 223 L N 1.383 122.550 121.223 -0.094 0.000 2.211 223 L HA -0.207 4.133 4.340 0.000 0.000 0.216 223 L C 0.486 177.337 176.870 -0.031 0.000 1.092 223 L CA 1.581 56.379 54.840 -0.070 0.000 0.767 223 L CB -0.680 41.357 42.059 -0.036 0.000 0.894 223 L HN 0.270 nan 8.230 nan 0.000 0.437 224 E N -0.439 119.747 120.200 -0.024 0.000 2.214 224 E HA 0.375 4.725 4.350 0.000 0.000 0.274 224 E C -2.386 174.203 176.600 -0.019 0.000 0.977 224 E CA -2.984 53.407 56.400 -0.015 0.000 0.827 224 E CB -0.520 29.174 29.700 -0.010 0.000 1.130 224 E HN -0.079 nan 8.360 nan 0.000 0.394 225 P HA 0.002 nan 4.420 nan 0.000 0.264 225 P C -0.252 177.035 177.300 -0.023 0.000 1.229 225 P CA -0.217 62.872 63.100 -0.018 0.000 0.780 225 P CB 0.430 32.122 31.700 -0.013 0.000 0.808 226 V N 3.373 123.269 119.914 -0.030 0.000 3.287 226 V HA -0.006 4.114 4.120 0.000 0.000 0.306 226 V C 1.574 177.649 176.094 -0.031 0.000 1.103 226 V CA -0.072 62.207 62.300 -0.034 0.000 1.159 226 V CB 0.037 31.833 31.823 -0.044 0.000 1.036 226 V HN 0.791 nan 8.190 nan 0.000 0.487 227 S N 2.615 118.297 115.700 -0.030 0.000 2.569 227 S HA 0.059 4.529 4.470 0.000 0.000 0.274 227 S C 0.969 175.553 174.600 -0.028 0.000 1.353 227 S CA -0.156 58.029 58.200 -0.026 0.000 1.023 227 S CB 0.145 63.330 63.200 -0.025 0.000 0.876 227 S HN 0.682 nan 8.310 nan 0.000 0.540 228 L N 1.168 122.377 121.223 -0.023 0.000 2.353 228 L HA -0.035 4.305 4.340 0.000 0.000 0.220 228 L C 2.554 179.409 176.870 -0.025 0.000 1.133 228 L CA 1.343 56.170 54.840 -0.023 0.000 0.798 228 L CB -0.868 41.180 42.059 -0.018 0.000 0.922 228 L HN 0.980 nan 8.230 nan 0.000 0.445 229 A N -0.830 121.975 122.820 -0.025 0.000 1.898 229 A HA -0.176 4.144 4.320 0.000 0.000 0.214 229 A C 1.904 179.469 177.584 -0.031 0.000 1.183 229 A CA 1.469 53.492 52.037 -0.025 0.000 0.622 229 A CB -0.383 18.604 19.000 -0.022 0.000 0.824 229 A HN 0.392 nan 8.150 nan 0.000 0.444 230 D N -0.866 119.511 120.400 -0.039 0.000 2.264 230 D HA -0.084 4.556 4.640 0.000 0.000 0.208 230 D C 2.011 178.273 176.300 -0.063 0.000 0.966 230 D CA 0.649 54.617 54.000 -0.054 0.000 0.864 230 D CB -0.127 40.638 40.800 -0.058 0.000 0.933 230 D HN 0.419 nan 8.370 nan 0.000 0.499 231 R N 0.924 121.394 120.500 -0.050 0.000 2.090 231 R HA -0.106 4.234 4.340 0.000 0.000 0.228 231 R C 2.116 178.389 176.300 -0.046 0.000 1.110 231 R CA 1.151 57.220 56.100 -0.051 0.000 0.973 231 R CB 0.193 30.470 30.300 -0.039 0.000 0.869 231 R HN 0.290 nan 8.270 nan 0.000 0.440 232 E N -0.781 119.399 120.200 -0.033 0.000 2.299 232 E HA -0.054 4.296 4.350 0.000 0.000 0.193 232 E C 1.632 178.226 176.600 -0.011 0.000 0.998 232 E CA 0.597 56.985 56.400 -0.021 0.000 0.851 232 E CB 0.091 29.782 29.700 -0.015 0.000 0.795 232 E HN 0.073 nan 8.360 nan 0.000 0.492 233 V N 2.630 122.532 119.914 -0.019 0.000 2.307 233 V HA -0.220 3.900 4.120 0.000 0.000 0.245 233 V C 2.520 178.591 176.094 -0.038 0.000 1.045 233 V CA 1.922 64.220 62.300 -0.002 0.000 1.024 233 V CB -0.489 31.311 31.823 -0.039 0.000 0.651 233 V HN 0.477 nan 8.190 nan 0.000 0.449 234 I N -2.200 118.313 120.570 -0.095 0.000 2.333 234 I HA -0.075 4.095 4.170 0.000 0.000 0.246 234 I C 2.556 178.614 176.117 -0.099 0.000 1.106 234 I CA 1.770 62.985 61.300 -0.141 0.000 1.411 234 I CB -0.813 37.064 38.000 -0.206 0.000 1.082 234 I HN 0.229 nan 8.210 nan 0.000 0.420 235 S N 2.100 117.756 115.700 -0.073 0.000 2.370 235 S HA -0.234 4.236 4.470 0.000 0.000 0.226 235 S C 2.333 176.917 174.600 -0.027 0.000 1.033 235 S CA 2.067 60.236 58.200 -0.051 0.000 1.011 235 S CB -0.437 62.739 63.200 -0.039 0.000 0.852 235 S HN 0.686 nan 8.310 nan 0.000 0.457 236 R N 0.578 121.074 120.500 -0.007 0.000 2.073 236 R HA 0.081 4.421 4.340 0.000 0.000 0.229 236 R C 2.278 178.600 176.300 0.037 0.000 1.120 236 R CA 1.441 57.553 56.100 0.021 0.000 0.967 236 R CB -0.937 29.388 30.300 0.041 0.000 0.862 236 R HN 0.386 nan 8.270 nan 0.000 0.436 237 L N 1.182 122.427 121.223 0.035 0.000 2.189 237 L HA -0.179 4.161 4.340 0.000 0.000 0.214 237 L C 3.022 179.886 176.870 -0.011 0.000 1.097 237 L CA 1.758 56.610 54.840 0.021 0.000 0.764 237 L CB -0.496 41.515 42.059 -0.079 0.000 0.900 237 L HN 0.322 nan 8.230 nan 0.000 0.436 238 R N 0.617 121.101 120.500 -0.026 0.000 2.080 238 R HA -0.170 4.170 4.340 0.000 0.000 0.236 238 R C 1.998 178.293 176.300 -0.008 0.000 1.137 238 R CA 1.979 58.063 56.100 -0.026 0.000 0.943 238 R CB -0.255 30.028 30.300 -0.030 0.000 0.846 238 R HN 0.363 nan 8.270 nan 0.000 0.431 239 N N -0.109 118.590 118.700 -0.002 0.000 2.396 239 N HA -0.134 4.606 4.740 0.000 0.000 0.180 239 N C 1.669 177.183 175.510 0.008 0.000 1.028 239 N CA 1.128 54.177 53.050 -0.002 0.000 0.893 239 N CB -0.332 38.151 38.487 -0.008 0.000 0.967 239 N HN 0.308 nan 8.380 nan 0.000 0.440 240 C N 0.844 120.163 119.300 0.031 0.000 2.457 240 C HA 0.133 4.593 4.460 0.000 0.000 0.278 240 C C 2.618 177.630 174.990 0.036 0.000 1.309 240 C CA 0.041 59.093 59.018 0.056 0.000 1.735 240 C CB -0.898 26.910 27.740 0.114 0.000 1.992 240 C HN 0.321 nan 8.230 nan 0.000 0.493 241 I N 1.707 122.288 120.570 0.018 0.000 2.439 241 I HA -0.128 4.042 4.170 0.000 0.000 0.251 241 I C 2.285 178.403 176.117 0.001 0.000 1.139 241 I CA 1.448 62.751 61.300 0.006 0.000 1.438 241 I CB -0.490 37.508 38.000 -0.005 0.000 1.085 241 I HN 0.441 nan 8.210 nan 0.000 0.427 242 I N -0.127 120.443 120.570 -0.001 0.000 2.226 242 I HA -0.225 3.945 4.170 0.000 0.000 0.245 242 I C 2.775 178.886 176.117 -0.009 0.000 1.100 242 I CA 1.791 63.087 61.300 -0.006 0.000 1.374 242 I CB -0.720 37.275 38.000 -0.009 0.000 1.057 242 I HN 0.212 nan 8.210 nan 0.000 0.413 243 S N 2.513 118.207 115.700 -0.009 0.000 2.359 243 S HA -0.215 4.255 4.470 0.000 0.000 0.223 243 S C 2.087 176.682 174.600 -0.008 0.000 1.039 243 S CA 1.697 59.890 58.200 -0.012 0.000 1.042 243 S CB -1.394 61.799 63.200 -0.013 0.000 0.915 243 S HN 0.586 nan 8.310 nan 0.000 0.439 244 L N 1.090 122.309 121.223 -0.006 0.000 2.013 244 L HA -0.138 4.202 4.340 0.000 0.000 0.212 244 L C 2.782 179.645 176.870 -0.011 0.000 1.073 244 L CA 1.574 56.407 54.840 -0.012 0.000 0.753 244 L CB -0.851 41.193 42.059 -0.024 0.000 0.890 244 L HN 0.287 nan 8.230 nan 0.000 0.432 245 V N -0.804 119.105 119.914 -0.009 0.000 2.270 245 V HA -0.272 3.848 4.120 0.000 0.000 0.245 245 V C 2.528 178.619 176.094 -0.006 0.000 1.043 245 V CA 2.345 64.641 62.300 -0.006 0.000 1.014 245 V CB -1.089 30.730 31.823 -0.006 0.000 0.645 245 V HN 0.491 nan 8.190 nan 0.000 0.447 246 T N -0.396 114.153 114.554 -0.008 0.000 2.685 246 T HA -0.280 4.071 4.350 0.000 0.000 0.268 246 T C 1.453 176.148 174.700 -0.007 0.000 1.034 246 T CA 1.518 63.612 62.100 -0.009 0.000 1.149 246 T CB -0.349 68.511 68.868 -0.013 0.000 0.860 246 T HN 0.349 nan 8.240 nan 0.000 0.449 247 Q N 1.078 120.874 119.800 -0.007 0.000 2.294 247 Q HA 0.266 4.606 4.340 0.000 0.000 0.256 247 Q C 0.021 176.019 176.000 -0.003 0.000 0.907 247 Q CA -0.109 55.690 55.803 -0.005 0.000 0.954 247 Q CB -0.840 27.894 28.738 -0.006 0.000 1.102 247 Q HN 0.451 nan 8.270 nan 0.000 0.429 248 R N -1.123 119.377 120.500 -0.001 0.000 3.013 248 R HA -0.245 4.095 4.340 0.000 0.000 0.232 248 R C -0.085 176.218 176.300 0.005 0.000 0.854 248 R CA 0.260 56.362 56.100 0.003 0.000 0.580 248 R CB -1.720 28.583 30.300 0.006 0.000 1.030 248 R HN 0.217 nan 8.270 nan 0.000 0.489 249 M N 0.278 119.877 119.600 -0.001 0.000 2.598 249 M HA 0.411 4.891 4.480 0.000 0.000 0.317 249 M C 0.135 176.430 176.300 -0.007 0.000 1.179 249 M CA -1.255 54.041 55.300 -0.006 0.000 0.936 249 M CB 1.621 34.208 32.600 -0.021 0.000 1.713 249 M HN 0.119 nan 8.290 nan 0.000 0.460 250 M N 2.221 121.819 119.600 -0.003 0.000 1.876 250 M HA 0.395 4.875 4.480 0.000 0.000 0.216 250 M C -1.175 175.086 176.300 -0.065 0.000 1.334 250 M CA 0.736 56.048 55.300 0.021 0.000 0.951 250 M CB 0.143 32.821 32.600 0.130 0.000 1.271 250 M HN 0.607 nan 8.290 nan 0.000 0.414 251 L N 1.677 122.880 121.223 -0.033 0.000 2.666 251 L HA 0.336 4.676 4.340 0.000 0.000 0.258 251 L C -1.922 174.974 176.870 0.042 0.000 0.991 251 L CA -0.622 54.173 54.840 -0.075 0.000 0.916 251 L CB 0.759 42.818 42.059 -0.001 0.000 1.199 251 L HN 0.769 nan 8.230 nan 0.000 0.439 252 Y N 0.157 120.479 120.300 0.036 0.000 2.597 252 Y HA 0.457 5.007 4.550 0.000 0.000 0.340 252 Y C 0.671 176.576 175.900 0.007 0.000 1.097 252 Y CA -1.321 56.785 58.100 0.011 0.000 1.037 252 Y CB 0.373 38.822 38.460 -0.019 0.000 1.305 252 Y HN 0.520 nan 8.280 nan 0.000 0.463 253 D N 0.553 121.020 120.400 0.112 0.000 2.689 253 D HA -0.395 4.245 4.640 0.000 0.000 0.420 253 D C 1.563 177.958 176.300 0.159 0.000 1.128 253 D CA 3.260 57.293 54.000 0.055 0.000 1.294 253 D CB -1.483 39.099 40.800 -0.364 0.000 1.419 253 D HN 0.923 nan 8.370 nan 0.000 0.505 254 T N -2.539 112.144 114.554 0.215 0.000 2.946 254 T HA -0.184 4.166 4.350 0.000 0.000 0.270 254 T C 2.020 176.841 174.700 0.202 0.000 1.129 254 T CA 2.160 64.423 62.100 0.271 0.000 1.103 254 T CB -0.330 68.693 68.868 0.258 0.000 0.839 254 T HN 0.387 nan 8.240 nan 0.000 0.544 255 S N 1.694 117.346 115.700 -0.080 0.000 2.327 255 S HA 0.059 4.529 4.470 0.000 0.000 0.213 255 S C 2.078 176.615 174.600 -0.105 0.000 1.032 255 S CA 0.582 58.540 58.200 -0.403 0.000 0.960 255 S CB -0.525 61.886 63.200 -1.315 0.000 0.900 255 S HN 0.718 nan 8.310 nan 0.000 0.469 256 I N 0.445 120.964 120.570 -0.085 0.000 2.423 256 I HA -0.127 4.043 4.170 0.000 0.000 0.254 256 I C 2.131 178.298 176.117 0.083 0.000 1.151 256 I CA 1.257 62.559 61.300 0.002 0.000 1.421 256 I CB -0.619 37.381 38.000 0.000 0.000 1.079 256 I HN 0.272 nan 8.210 nan 0.000 0.431 257 L N -0.065 121.234 121.223 0.128 0.000 1.994 257 L HA -0.215 4.125 4.340 0.000 0.000 0.208 257 L C 2.712 179.659 176.870 0.129 0.000 1.071 257 L CA 1.778 56.700 54.840 0.137 0.000 0.745 257 L CB -0.742 41.411 42.059 0.157 0.000 0.892 257 L HN 0.192 nan 8.230 nan 0.000 0.431 258 Y N -0.256 120.068 120.300 0.040 0.000 2.314 258 Y HA -0.207 4.343 4.550 0.000 0.000 0.293 258 Y C 2.854 178.768 175.900 0.024 0.000 1.129 258 Y CA 1.048 59.164 58.100 0.027 0.000 1.201 258 Y CB -0.967 37.495 38.460 0.003 0.000 0.999 258 Y HN 0.433 nan 8.280 nan 0.000 0.541 259 C N -2.241 117.162 119.300 0.172 0.000 2.448 259 C HA -0.101 4.359 4.460 0.000 0.000 0.280 259 C C 2.373 177.433 174.990 0.118 0.000 1.398 259 C CA -0.099 58.986 59.018 0.112 0.000 1.774 259 C CB -1.779 26.006 27.740 0.074 0.000 1.888 259 C HN 0.535 nan 8.230 nan 0.000 0.519 260 Y N 2.256 122.548 120.300 -0.012 0.000 2.231 260 Y HA 0.089 4.639 4.550 0.000 0.000 0.294 260 Y C 2.413 178.266 175.900 -0.078 0.000 1.120 260 Y CA 1.870 59.944 58.100 -0.043 0.000 1.141 260 Y CB -0.535 37.891 38.460 -0.056 0.000 1.022 260 Y HN 0.311 nan 8.280 nan 0.000 0.523 261 E N 0.384 120.538 120.200 -0.077 0.000 2.049 261 E HA -0.269 4.081 4.350 0.000 0.000 0.198 261 E C 2.265 178.732 176.600 -0.221 0.000 1.007 261 E CA 1.464 57.741 56.400 -0.204 0.000 0.809 261 E CB -0.479 29.076 29.700 -0.242 0.000 0.749 261 E HN 0.529 nan 8.360 nan 0.000 0.450 262 A N 0.848 123.589 122.820 -0.132 0.000 2.148 262 A HA -0.226 4.094 4.320 0.000 0.000 0.222 262 A C 2.128 179.531 177.584 -0.300 0.000 1.161 262 A CA 1.508 53.468 52.037 -0.129 0.000 0.662 262 A CB -0.532 18.462 19.000 -0.011 0.000 0.799 262 A HN 0.130 nan 8.150 nan 0.000 0.466 263 S N -0.756 114.732 115.700 -0.352 0.000 2.507 263 S HA -0.078 4.392 4.470 0.000 0.000 0.235 263 S C 1.619 175.932 174.600 -0.477 0.000 0.988 263 S CA 0.891 58.798 58.200 -0.489 0.000 0.944 263 S CB -0.379 62.563 63.200 -0.430 0.000 0.762 263 S HN 0.565 nan 8.310 nan 0.000 0.526 264 L N 2.922 123.925 121.223 -0.367 0.000 2.051 264 L HA -0.109 4.231 4.340 0.000 0.000 0.214 264 L C -0.320 176.405 176.870 -0.242 0.000 1.076 264 L CA 2.018 56.698 54.840 -0.266 0.000 0.758 264 L CB -1.144 40.797 42.059 -0.196 0.000 0.890 264 L HN 0.237 nan 8.230 nan 0.000 0.433 265 P HA -0.115 nan 4.420 nan 0.000 0.212 265 P C 0.804 178.013 177.300 -0.151 0.000 1.171 265 P CA 1.453 64.436 63.100 -0.194 0.000 0.892 265 P CB -0.498 31.116 31.700 -0.142 0.000 0.769 266 H N -0.486 118.551 119.070 -0.055 0.000 2.612 266 H HA 0.184 4.740 4.556 0.000 0.000 0.285 266 H C 1.494 176.789 175.328 -0.055 0.000 1.066 266 H CA -0.059 55.961 56.048 -0.048 0.000 1.180 266 H CB -1.093 28.645 29.762 -0.040 0.000 1.312 266 H HN -0.004 nan 8.280 nan 0.000 0.606 267 Q N 0.986 120.759 119.800 -0.044 0.000 2.498 267 Q HA -0.205 4.135 4.340 0.000 0.000 0.219 267 Q C 1.092 177.112 176.000 0.033 0.000 1.000 267 Q CA 1.102 56.887 55.803 -0.029 0.000 0.950 267 Q CB -0.624 28.068 28.738 -0.077 0.000 0.926 267 Q HN 0.771 nan 8.270 nan 0.000 0.461 268 I N 2.527 123.136 120.570 0.065 0.000 3.266 268 I HA -0.272 3.898 4.170 0.000 0.000 0.349 268 I C 1.800 177.934 176.117 0.029 0.000 1.000 268 I CA 0.682 62.004 61.300 0.037 0.000 1.262 268 I CB -1.125 36.894 38.000 0.031 0.000 1.001 268 I HN 0.290 nan 8.210 nan 0.000 0.666 269 K N 1.469 121.887 120.400 0.029 0.000 2.804 269 K HA -0.309 4.011 4.320 0.000 0.000 0.201 269 K C 0.379 176.983 176.600 0.007 0.000 0.908 269 K CA 2.458 58.757 56.287 0.020 0.000 0.855 269 K CB -1.304 31.199 32.500 0.005 0.000 1.395 269 K HN 0.674 nan 8.250 nan 0.000 0.537 270 D N 2.058 122.456 120.400 -0.004 0.000 2.508 270 D HA 0.184 4.824 4.640 0.000 0.000 0.224 270 D C 0.098 176.381 176.300 -0.029 0.000 1.171 270 D CA -0.205 53.786 54.000 -0.015 0.000 1.006 270 D CB -0.184 40.607 40.800 -0.014 0.000 1.073 270 D HN 0.291 nan 8.370 nan 0.000 0.513 271 I N 2.018 122.562 120.570 -0.043 0.000 2.680 271 I HA -0.126 4.044 4.170 0.000 0.000 0.286 271 I C 0.809 176.874 176.117 -0.087 0.000 1.144 271 I CA -0.518 60.725 61.300 -0.096 0.000 1.370 271 I CB 0.324 38.245 38.000 -0.131 0.000 1.420 271 I HN 0.245 nan 8.210 nan 0.000 0.540 272 L N 8.904 130.076 121.223 -0.085 0.000 2.628 272 L HA -0.059 4.281 4.340 0.000 0.000 0.274 272 L C 1.379 178.206 176.870 -0.071 0.000 1.209 272 L CA 0.697 55.499 54.840 -0.064 0.000 0.930 272 L CB -0.016 42.009 42.059 -0.057 0.000 1.183 272 L HN 0.521 nan 8.230 nan 0.000 0.492 273 K N 5.662 126.031 120.400 -0.051 0.000 2.044 273 K HA -0.144 4.176 4.320 0.000 0.000 0.210 273 K C -0.900 175.673 176.600 -0.045 0.000 1.049 273 K CA 2.174 58.433 56.287 -0.046 0.000 0.927 273 K CB -0.921 31.560 32.500 -0.031 0.000 0.713 273 K HN 0.711 nan 8.250 nan 0.000 0.443 274 P HA -0.071 nan 4.420 nan 0.000 0.215 274 P C 0.785 178.060 177.300 -0.040 0.000 1.160 274 P CA 1.415 64.495 63.100 -0.034 0.000 0.869 274 P CB 0.140 31.825 31.700 -0.026 0.000 0.782 275 E N 0.338 120.510 120.200 -0.046 0.000 2.001 275 E HA -0.060 4.290 4.350 0.000 0.000 0.193 275 E C 2.322 178.881 176.600 -0.068 0.000 0.994 275 E CA 1.020 57.391 56.400 -0.048 0.000 0.815 275 E CB -1.301 28.374 29.700 -0.043 0.000 0.770 275 E HN 0.192 nan 8.360 nan 0.000 0.453 276 I N 0.326 120.832 120.570 -0.108 0.000 2.099 276 I HA -0.317 3.853 4.170 0.000 0.000 0.239 276 I C 2.466 178.481 176.117 -0.171 0.000 1.066 276 I CA 1.280 62.472 61.300 -0.180 0.000 1.324 276 I CB -0.356 37.443 38.000 -0.335 0.000 1.037 276 I HN 0.125 nan 8.210 nan 0.000 0.401 277 M N 0.134 119.639 119.600 -0.158 0.000 2.192 277 M HA -0.309 4.171 4.480 0.000 0.000 0.259 277 M C 2.251 178.518 176.300 -0.054 0.000 1.071 277 M CA 1.855 57.094 55.300 -0.101 0.000 1.082 277 M CB -0.596 31.961 32.600 -0.072 0.000 1.373 277 M HN 0.285 nan 8.290 nan 0.000 0.408 278 E N 0.558 120.729 120.200 -0.049 0.000 2.070 278 E HA -0.301 4.049 4.350 0.000 0.000 0.197 278 E C 1.815 178.406 176.600 -0.014 0.000 1.004 278 E CA 1.943 58.328 56.400 -0.027 0.000 0.805 278 E CB 0.022 29.707 29.700 -0.025 0.000 0.744 278 E HN 0.471 nan 8.360 nan 0.000 0.451 279 E N 0.661 120.851 120.200 -0.016 0.000 2.046 279 E HA -0.126 4.224 4.350 0.000 0.000 0.190 279 E C 2.072 178.695 176.600 0.038 0.000 0.982 279 E CA 1.300 57.708 56.400 0.012 0.000 0.800 279 E CB -0.330 29.384 29.700 0.023 0.000 0.756 279 E HN 0.410 nan 8.360 nan 0.000 0.449 280 I N 0.194 120.789 120.570 0.041 0.000 2.121 280 I HA -0.386 3.784 4.170 0.000 0.000 0.243 280 I C 2.226 178.389 176.117 0.076 0.000 1.047 280 I CA 1.591 62.959 61.300 0.113 0.000 1.308 280 I CB -0.681 37.371 38.000 0.086 0.000 1.015 280 I HN 0.083 nan 8.210 nan 0.000 0.410 281 V N -0.268 119.669 119.914 0.039 0.000 2.427 281 V HA -0.292 3.828 4.120 0.000 0.000 0.248 281 V C 2.385 178.495 176.094 0.027 0.000 1.051 281 V CA 1.723 64.040 62.300 0.028 0.000 1.048 281 V CB -0.528 31.301 31.823 0.010 0.000 0.666 281 V HN 0.342 nan 8.190 nan 0.000 0.456 282 M N 0.452 120.067 119.600 0.025 0.000 2.163 282 M HA -0.249 4.231 4.480 0.000 0.000 0.258 282 M C 2.127 178.443 176.300 0.028 0.000 1.071 282 M CA 2.088 57.400 55.300 0.021 0.000 1.093 282 M CB -0.661 31.951 32.600 0.020 0.000 1.285 282 M HN 0.382 nan 8.290 nan 0.000 0.420 283 E N -1.689 118.534 120.200 0.038 0.000 2.077 283 E HA -0.175 4.176 4.350 0.000 0.000 0.193 283 E C 1.873 178.507 176.600 0.056 0.000 0.989 283 E CA 1.768 58.193 56.400 0.041 0.000 0.800 283 E CB -0.359 29.364 29.700 0.038 0.000 0.746 283 E HN 0.559 nan 8.360 nan 0.000 0.452 284 T N 1.184 115.776 114.554 0.063 0.000 2.635 284 T HA -0.224 4.126 4.350 0.000 0.000 0.267 284 T C 1.839 176.575 174.700 0.060 0.000 1.040 284 T CA 1.360 63.511 62.100 0.085 0.000 1.156 284 T CB -0.191 68.719 68.868 0.070 0.000 0.863 284 T HN 0.109 nan 8.240 nan 0.000 0.430 285 R N 0.952 121.466 120.500 0.024 0.000 2.148 285 R HA -0.043 4.297 4.340 0.000 0.000 0.227 285 R C 2.303 178.604 176.300 0.001 0.000 1.103 285 R CA 1.212 57.309 56.100 -0.004 0.000 0.983 285 R CB -0.241 30.056 30.300 -0.004 0.000 0.874 285 R HN 0.553 nan 8.270 nan 0.000 0.451 286 Q N -0.246 119.568 119.800 0.023 0.000 2.084 286 Q HA -0.170 4.170 4.340 0.000 0.000 0.202 286 Q C 2.174 178.200 176.000 0.042 0.000 0.978 286 Q CA 1.663 57.482 55.803 0.027 0.000 0.844 286 Q CB -0.114 28.642 28.738 0.030 0.000 0.898 286 Q HN 0.265 nan 8.270 nan 0.000 0.426 287 R N 0.116 120.668 120.500 0.087 0.000 2.161 287 R HA 0.017 4.357 4.340 0.000 0.000 0.213 287 R C 1.976 178.313 176.300 0.062 0.000 1.055 287 R CA 0.300 56.502 56.100 0.171 0.000 0.996 287 R CB 0.189 30.687 30.300 0.331 0.000 0.901 287 R HN 0.202 nan 8.270 nan 0.000 0.456 288 L N 0.201 121.363 121.223 -0.102 0.000 2.049 288 L HA -0.103 4.237 4.340 0.000 0.000 0.203 288 L C 2.252 179.001 176.870 -0.201 0.000 1.074 288 L CA 0.508 55.118 54.840 -0.383 0.000 0.749 288 L CB -0.376 41.501 42.059 -0.303 0.000 0.907 288 L HN 0.206 nan 8.230 nan 0.000 0.439 289 L N 0.334 121.501 121.223 -0.094 0.000 2.079 289 L HA -0.250 4.090 4.340 0.000 0.000 0.210 289 L C 2.382 179.229 176.870 -0.039 0.000 1.081 289 L CA 1.835 56.644 54.840 -0.052 0.000 0.752 289 L CB -0.542 41.502 42.059 -0.025 0.000 0.896 289 L HN 0.302 nan 8.230 nan 0.000 0.433 290 E N -1.078 119.106 120.200 -0.027 0.000 2.333 290 E HA -0.289 4.061 4.350 0.000 0.000 0.198 290 E C 2.054 178.647 176.600 -0.011 0.000 1.007 290 E CA 0.840 57.236 56.400 -0.007 0.000 0.845 290 E CB -0.128 29.580 29.700 0.014 0.000 0.766 290 E HN 0.743 nan 8.360 nan 0.000 0.507 291 Q N -0.049 119.725 119.800 -0.042 0.000 2.297 291 Q HA -0.154 4.186 4.340 0.000 0.000 0.204 291 Q C 1.091 177.073 176.000 -0.030 0.000 0.962 291 Q CA 1.121 56.900 55.803 -0.041 0.000 0.879 291 Q CB 0.279 28.947 28.738 -0.118 0.000 0.947 291 Q HN 0.391 nan 8.270 nan 0.000 0.462 292 E N -0.632 119.548 120.200 -0.034 0.000 2.101 292 E HA 0.224 4.574 4.350 0.000 0.000 0.194 292 E C 0.513 177.106 176.600 -0.011 0.000 0.950 292 E CA 0.434 56.821 56.400 -0.021 0.000 0.917 292 E CB 0.254 29.941 29.700 -0.022 0.000 0.963 292 E HN 0.270 nan 8.360 nan 0.000 0.476 293 G N 0.000 108.794 108.800 -0.010 0.000 5.446 293 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 293 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 293 G CA 0.000 45.097 45.100 -0.005 0.000 0.502 293 G HN 0.000 nan 8.290 nan 0.000 0.925