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 3fsx_1_C DATA FIRST_RESID 4 DATA SEQUENCE VTGAAGIGLA TLAADGSVLD TWFPAPELTE SGTSATSRLA VSDVPVELAA DATA SEQUENCE LIGRDDDRRT ETIAVRTVIG SLDDVAADPY DAYLRLHLLS HRLVAPHGLN DATA SEQUENCE AGGLFGVLTN VVWTNHGPCA IDGFEAVRAR LRRRGPVTVY GVDKFPRMVD DATA SEQUENCE YVVPTGVRIA DADRVRLGAH LAPGTTVMHE GFVNYNAGTL GASMVEGRIS DATA SEQUENCE AGVVVGDGSD VGGGASIMGT LSGGGTHVIS IGKRCLLGAN SGLGISLGDD DATA SEQUENCE CVVEAGLYVT AGTRVTMPDS NSVKARELSG SSNLLFRRNS VSGAVEVLAR 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.094 176.094 0.001 0.000 1.182 4 V CA 0.000 62.302 62.300 0.003 0.000 1.235 4 V CB 0.000 31.824 31.823 0.002 0.000 1.184 5 T N 2.002 116.557 114.554 0.001 0.000 2.771 5 T HA 0.770 5.120 4.350 0.000 0.000 0.281 5 T C 0.603 175.300 174.700 -0.006 0.000 0.982 5 T CA 0.383 62.482 62.100 -0.002 0.000 0.978 5 T CB 1.747 70.615 68.868 0.001 0.000 0.930 5 T HN 0.724 nan 8.240 nan 0.000 0.447 6 G N 1.194 109.987 108.800 -0.013 0.000 2.828 6 G HA2 0.875 4.835 3.960 0.000 0.000 0.244 6 G HA3 0.875 4.835 3.960 0.000 0.000 0.244 6 G C -1.141 173.739 174.900 -0.033 0.000 1.365 6 G CA -0.661 44.427 45.100 -0.020 0.000 1.041 6 G HN 0.998 nan 8.290 nan 0.000 0.560 7 A N -2.435 120.355 122.820 -0.050 0.000 2.610 7 A HA 0.963 5.283 4.320 0.000 0.000 0.291 7 A C -0.810 176.712 177.584 -0.103 0.000 1.086 7 A CA 0.094 52.083 52.037 -0.080 0.000 0.677 7 A CB 1.233 20.174 19.000 -0.099 0.000 1.278 7 A HN 2.332 nan 8.150 nan 0.000 0.414 8 A N -0.740 121.999 122.820 -0.135 0.000 2.604 8 A HA 0.962 5.282 4.320 0.000 0.000 0.295 8 A C -0.331 177.141 177.584 -0.186 0.000 1.067 8 A CA -0.044 51.911 52.037 -0.138 0.000 0.683 8 A CB 1.452 20.404 19.000 -0.079 0.000 1.281 8 A HN 2.589 nan 8.150 nan 0.000 0.407 9 G N 0.090 108.799 108.800 -0.152 0.000 2.733 9 G HA2 0.545 4.505 3.960 0.000 0.000 0.297 9 G HA3 0.545 4.505 3.960 0.000 0.000 0.297 9 G C -1.371 173.643 174.900 0.191 0.000 1.452 9 G CA -0.526 44.532 45.100 -0.070 0.000 0.940 9 G HN 0.697 nan 8.290 nan 0.000 0.547 10 I N 1.538 122.196 120.570 0.147 0.000 2.331 10 I HA 0.553 4.723 4.170 0.000 0.000 0.292 10 I C 0.891 177.011 176.117 0.004 0.000 0.998 10 I CA -0.294 61.041 61.300 0.058 0.000 1.267 10 I CB 1.617 39.593 38.000 -0.039 0.000 1.386 10 I HN 0.578 nan 8.210 nan 0.000 0.476 11 G N 5.868 114.542 108.800 -0.210 0.000 2.569 11 G HA2 0.636 4.596 3.960 0.000 0.000 0.300 11 G HA3 0.636 4.596 3.960 0.000 0.000 0.300 11 G C -1.727 172.932 174.900 -0.402 0.000 1.269 11 G CA -0.561 44.133 45.100 -0.676 0.000 0.959 11 G HN 0.391 nan 8.290 nan 0.000 0.478 12 L N 1.519 122.537 121.223 -0.343 0.000 2.295 12 L HA 0.748 5.088 4.340 0.000 0.000 0.281 12 L C 0.457 177.294 176.870 -0.056 0.000 1.018 12 L CA -0.416 54.364 54.840 -0.099 0.000 0.841 12 L CB 0.803 42.909 42.059 0.078 0.000 1.218 12 L HN 0.686 nan 8.230 nan 0.000 0.424 13 A N 3.092 125.888 122.820 -0.039 0.000 2.306 13 A HA 0.785 5.105 4.320 0.000 0.000 0.314 13 A C -0.209 177.390 177.584 0.024 0.000 1.164 13 A CA -0.400 51.641 52.037 0.008 0.000 0.822 13 A CB 0.671 19.770 19.000 0.165 0.000 1.130 13 A HN 0.619 nan 8.150 nan 0.000 0.496 14 T N 3.150 117.704 114.554 -0.001 0.000 2.779 14 T HA 0.542 4.892 4.350 0.000 0.000 0.280 14 T C -0.319 174.361 174.700 -0.032 0.000 0.987 14 T CA -0.110 61.990 62.100 0.000 0.000 0.966 14 T CB 0.362 69.237 68.868 0.012 0.000 0.933 14 T HN 0.451 nan 8.240 nan 0.000 0.442 15 L N 2.342 123.555 121.223 -0.017 0.000 2.331 15 L HA 0.770 5.110 4.340 0.000 0.000 0.275 15 L C 0.778 177.626 176.870 -0.036 0.000 1.022 15 L CA -1.240 53.581 54.840 -0.032 0.000 0.812 15 L CB 1.360 43.418 42.059 -0.002 0.000 1.257 15 L HN 0.659 nan 8.230 nan 0.000 0.435 16 A N 1.567 124.356 122.820 -0.052 0.000 2.267 16 A HA 0.563 4.883 4.320 0.000 0.000 0.271 16 A C 1.216 178.783 177.584 -0.028 0.000 1.131 16 A CA 0.452 52.462 52.037 -0.046 0.000 0.818 16 A CB 0.382 19.345 19.000 -0.062 0.000 1.118 16 A HN 0.924 nan 8.150 nan 0.000 0.501 17 A N -0.204 122.603 122.820 -0.023 0.000 1.978 17 A HA -0.141 4.179 4.320 0.000 0.000 0.220 17 A C 1.333 178.907 177.584 -0.016 0.000 1.170 17 A CA 2.176 54.203 52.037 -0.017 0.000 0.636 17 A CB -0.688 18.303 19.000 -0.015 0.000 0.810 17 A HN 0.873 nan 8.150 nan 0.000 0.448 18 D N -2.936 117.451 120.400 -0.022 0.000 2.339 18 D HA 0.315 4.955 4.640 0.000 0.000 0.217 18 D C 1.128 177.417 176.300 -0.018 0.000 1.050 18 D CA 0.971 54.959 54.000 -0.019 0.000 0.856 18 D CB -0.285 40.502 40.800 -0.022 0.000 0.922 18 D HN 0.743 nan 8.370 nan 0.000 0.518 19 G N -0.454 108.334 108.800 -0.019 0.000 2.213 19 G HA2 -0.247 3.713 3.960 0.000 0.000 0.226 19 G HA3 -0.247 3.713 3.960 0.000 0.000 0.226 19 G C 0.336 175.217 174.900 -0.032 0.000 0.992 19 G CA 0.048 45.140 45.100 -0.012 0.000 0.632 19 G HN 0.372 nan 8.290 nan 0.000 0.511 20 S N 0.277 115.946 115.700 -0.052 0.000 2.549 20 S HA 0.399 4.869 4.470 0.000 0.000 0.286 20 S C 0.765 175.296 174.600 -0.114 0.000 1.314 20 S CA -0.043 58.107 58.200 -0.084 0.000 1.062 20 S CB 1.834 64.981 63.200 -0.089 0.000 0.865 20 S HN 0.752 nan 8.310 nan 0.000 0.498 21 V N 5.670 125.478 119.914 -0.176 0.000 2.439 21 V HA 0.079 4.199 4.120 0.000 0.000 0.271 21 V C 1.215 177.202 176.094 -0.178 0.000 1.040 21 V CA 0.099 62.253 62.300 -0.244 0.000 1.002 21 V CB 0.102 31.607 31.823 -0.530 0.000 1.000 21 V HN 0.812 nan 8.190 nan 0.000 0.477 22 L N 3.137 124.266 121.223 -0.158 0.000 2.049 22 L HA 0.153 4.494 4.340 0.000 0.000 0.203 22 L C 0.862 177.663 176.870 -0.115 0.000 1.074 22 L CA 1.051 55.791 54.840 -0.166 0.000 0.749 22 L CB 0.005 41.944 42.059 -0.200 0.000 0.907 22 L HN 0.873 nan 8.230 nan 0.000 0.439 23 D N -2.350 117.937 120.400 -0.188 0.000 2.626 23 D HA 0.307 4.947 4.640 0.000 0.000 0.278 23 D C -0.964 175.021 176.300 -0.526 0.000 1.211 23 D CA -0.404 53.286 54.000 -0.517 0.000 0.903 23 D CB 2.042 42.876 40.800 0.056 0.000 1.408 23 D HN -0.242 nan 8.370 nan 0.000 0.454 24 T N 0.255 114.353 114.554 -0.760 0.000 3.071 24 T HA 0.367 4.717 4.350 0.000 0.000 0.311 24 T C -1.761 172.947 174.700 0.013 0.000 1.042 24 T CA -0.527 61.387 62.100 -0.310 0.000 1.028 24 T CB 0.986 69.676 68.868 -0.296 0.000 1.068 24 T HN 0.470 nan 8.240 nan 0.000 0.451 25 W N 5.341 126.571 121.300 -0.116 0.000 2.349 25 W HA 0.703 5.363 4.660 0.000 0.000 0.309 25 W C -2.054 174.322 176.519 -0.238 0.000 1.083 25 W CA -2.105 55.342 57.345 0.170 0.000 1.224 25 W CB 0.263 29.829 29.460 0.177 0.000 1.256 25 W HN 0.543 nan 8.180 nan 0.000 0.461 26 F N 9.259 128.983 119.950 -0.377 0.000 2.325 26 F HA 0.297 4.824 4.527 0.000 0.000 0.369 26 F C -1.341 174.160 175.800 -0.499 0.000 1.095 26 F CA -2.172 55.495 58.000 -0.555 0.000 1.082 26 F CB 1.368 40.017 39.000 -0.584 0.000 1.289 26 F HN 0.228 nan 8.300 nan 0.000 0.462 27 P HA -0.114 nan 4.420 nan 0.000 0.217 27 P C 0.153 177.436 177.300 -0.030 0.000 1.150 27 P CA 1.029 63.927 63.100 -0.337 0.000 0.832 27 P CB 0.416 31.815 31.700 -0.503 0.000 0.787 28 A N -1.049 121.709 122.820 -0.103 0.000 3.317 28 A HA 0.409 4.730 4.320 0.000 0.000 0.307 28 A C -2.537 174.957 177.584 -0.151 0.000 1.003 28 A CA -1.148 50.831 52.037 -0.097 0.000 0.882 28 A CB -0.025 18.944 19.000 -0.052 0.000 1.136 28 A HN 0.007 nan 8.150 nan 0.000 0.488 29 P HA 0.447 nan 4.420 nan 0.000 0.274 29 P C -0.461 176.720 177.300 -0.197 0.000 1.237 29 P CA 0.267 63.203 63.100 -0.273 0.000 0.793 29 P CB 1.140 32.624 31.700 -0.360 0.000 0.977 30 E N 0.004 120.111 120.200 -0.155 0.000 2.390 30 E HA 0.412 4.762 4.350 0.000 0.000 0.277 30 E C -0.703 175.849 176.600 -0.080 0.000 0.939 30 E CA -0.900 55.443 56.400 -0.095 0.000 0.769 30 E CB 1.643 31.300 29.700 -0.070 0.000 1.251 30 E HN 0.302 nan 8.360 nan 0.000 0.450 31 L N 1.652 122.845 121.223 -0.049 0.000 2.417 31 L HA 0.417 4.757 4.340 0.000 0.000 0.268 31 L C 0.544 177.394 176.870 -0.033 0.000 1.158 31 L CA 0.039 54.857 54.840 -0.036 0.000 0.819 31 L CB 0.656 42.705 42.059 -0.016 0.000 1.112 31 L HN 0.725 nan 8.230 nan 0.000 0.458 32 T N -1.954 112.582 114.554 -0.031 0.000 2.804 32 T HA 0.430 4.780 4.350 0.000 0.000 0.290 32 T C -0.360 174.329 174.700 -0.018 0.000 1.099 32 T CA -1.067 61.017 62.100 -0.026 0.000 1.011 32 T CB 1.970 70.818 68.868 -0.032 0.000 1.291 32 T HN 0.323 nan 8.240 nan 0.000 0.523 33 E N 1.552 121.743 120.200 -0.015 0.000 2.392 33 E HA 0.323 4.673 4.350 0.000 0.000 0.256 33 E C 0.526 177.120 176.600 -0.011 0.000 1.145 33 E CA -0.068 56.325 56.400 -0.010 0.000 0.929 33 E CB 1.013 30.708 29.700 -0.008 0.000 0.998 33 E HN 0.838 nan 8.360 nan 0.000 0.442 34 S N -0.170 115.525 115.700 -0.007 0.000 2.568 34 S HA 0.492 4.962 4.470 0.000 0.000 0.282 34 S C 0.442 175.037 174.600 -0.008 0.000 1.338 34 S CA 0.073 58.270 58.200 -0.007 0.000 1.045 34 S CB 1.185 64.384 63.200 -0.003 0.000 0.873 34 S HN 0.578 nan 8.310 nan 0.000 0.516 35 G N 0.698 109.493 108.800 -0.008 0.000 2.896 35 G HA2 0.596 4.556 3.960 0.000 0.000 0.247 35 G HA3 0.596 4.556 3.960 0.000 0.000 0.247 35 G C -1.325 173.571 174.900 -0.007 0.000 1.187 35 G CA -0.621 44.474 45.100 -0.009 0.000 0.837 35 G HN 0.770 nan 8.290 nan 0.000 0.559 36 T N 1.369 115.918 114.554 -0.008 0.000 2.786 36 T HA 0.547 4.897 4.350 0.000 0.000 0.283 36 T C 0.026 174.724 174.700 -0.004 0.000 0.992 36 T CA -0.104 61.994 62.100 -0.004 0.000 0.954 36 T CB 1.292 70.158 68.868 -0.003 0.000 0.934 36 T HN 0.422 nan 8.240 nan 0.000 0.440 37 S N 2.931 118.631 115.700 0.001 0.000 2.596 37 S HA 0.457 4.927 4.470 0.000 0.000 0.298 37 S C 0.285 174.889 174.600 0.007 0.000 1.255 37 S CA -0.259 57.945 58.200 0.006 0.000 1.083 37 S CB -0.160 63.050 63.200 0.016 0.000 0.837 37 S HN 0.974 nan 8.310 nan 0.000 0.499 38 A N 3.660 126.481 122.820 0.001 0.000 2.597 38 A HA 0.656 4.976 4.320 0.000 0.000 0.292 38 A C -0.630 176.938 177.584 -0.026 0.000 1.057 38 A CA -0.826 51.208 52.037 -0.004 0.000 0.674 38 A CB 1.259 20.252 19.000 -0.012 0.000 1.278 38 A HN 0.518 nan 8.150 nan 0.000 0.416 39 T N 2.069 116.587 114.554 -0.060 0.000 2.807 39 T HA 0.714 5.064 4.350 0.000 0.000 0.279 39 T C -0.019 174.579 174.700 -0.170 0.000 0.993 39 T CA 0.108 62.104 62.100 -0.174 0.000 0.970 39 T CB 1.106 69.715 68.868 -0.433 0.000 0.950 39 T HN 1.276 nan 8.240 nan 0.000 0.441 40 S N 3.020 118.628 115.700 -0.154 0.000 2.599 40 S HA 0.650 5.120 4.470 0.000 0.000 0.294 40 S C -0.588 173.936 174.600 -0.127 0.000 1.094 40 S CA -1.341 56.789 58.200 -0.117 0.000 0.931 40 S CB 1.482 64.641 63.200 -0.068 0.000 1.093 40 S HN 0.506 nan 8.310 nan 0.000 0.488 41 R N 1.115 121.559 120.500 -0.093 0.000 2.389 41 R HA 0.285 4.625 4.340 0.000 0.000 0.295 41 R C -0.428 175.837 176.300 -0.058 0.000 1.075 41 R CA -0.293 55.762 56.100 -0.075 0.000 1.005 41 R CB 0.134 30.406 30.300 -0.048 0.000 0.987 41 R HN 0.618 nan 8.270 nan 0.000 0.452 42 L N 2.672 123.862 121.223 -0.056 0.000 2.455 42 L HA 0.060 4.400 4.340 0.000 0.000 0.272 42 L C 1.083 177.933 176.870 -0.032 0.000 1.174 42 L CA -0.058 54.756 54.840 -0.043 0.000 0.869 42 L CB 0.506 42.538 42.059 -0.044 0.000 1.130 42 L HN 0.671 nan 8.230 nan 0.000 0.474 43 A N 3.649 126.453 122.820 -0.027 0.000 2.492 43 A HA 0.119 4.439 4.320 0.000 0.000 0.236 43 A C 1.333 178.906 177.584 -0.019 0.000 1.078 43 A CA -0.343 51.682 52.037 -0.020 0.000 0.773 43 A CB 0.399 19.388 19.000 -0.018 0.000 1.023 43 A HN 0.621 nan 8.150 nan 0.000 0.504 44 V N 1.665 121.571 119.914 -0.014 0.000 2.332 44 V HA -0.252 3.868 4.120 0.000 0.000 0.248 44 V C 2.764 178.851 176.094 -0.012 0.000 1.055 44 V CA 2.880 65.173 62.300 -0.012 0.000 1.038 44 V CB -0.786 31.032 31.823 -0.008 0.000 0.651 44 V HN 1.155 nan 8.190 nan 0.000 0.450 45 S N -1.177 114.516 115.700 -0.012 0.000 2.555 45 S HA -0.103 4.367 4.470 0.000 0.000 0.230 45 S C 1.254 175.845 174.600 -0.014 0.000 0.978 45 S CA 1.065 59.258 58.200 -0.011 0.000 0.934 45 S CB -0.222 62.972 63.200 -0.010 0.000 0.766 45 S HN 0.639 nan 8.310 nan 0.000 0.533 46 D N 0.984 121.373 120.400 -0.018 0.000 2.389 46 D HA 0.202 4.842 4.640 0.000 0.000 0.206 46 D C -0.092 176.192 176.300 -0.027 0.000 1.055 46 D CA 0.088 54.075 54.000 -0.022 0.000 0.856 46 D CB 0.556 41.341 40.800 -0.025 0.000 0.957 46 D HN 0.250 nan 8.370 nan 0.000 0.509 47 V N 4.164 124.062 119.914 -0.026 0.000 2.450 47 V HA 0.066 4.186 4.120 0.000 0.000 0.281 47 V C -1.864 174.214 176.094 -0.027 0.000 1.019 47 V CA -0.981 61.301 62.300 -0.030 0.000 1.062 47 V CB 0.218 32.027 31.823 -0.023 0.000 0.979 47 V HN -0.031 nan 8.190 nan 0.000 0.477 48 P HA 0.057 nan 4.420 nan 0.000 0.270 48 P C 0.952 178.242 177.300 -0.016 0.000 1.223 48 P CA -0.111 62.972 63.100 -0.028 0.000 0.785 48 P CB 0.761 32.435 31.700 -0.042 0.000 0.923 49 V N 1.889 121.799 119.914 -0.007 0.000 2.332 49 V HA -0.233 3.887 4.120 0.000 0.000 0.248 49 V C 1.997 178.099 176.094 0.013 0.000 1.055 49 V CA 2.350 64.652 62.300 0.003 0.000 1.038 49 V CB -1.014 30.812 31.823 0.006 0.000 0.651 49 V HN 0.704 nan 8.190 nan 0.000 0.450 50 E N -0.585 119.624 120.200 0.016 0.000 2.338 50 E HA -0.180 4.170 4.350 0.000 0.000 0.197 50 E C 1.875 178.505 176.600 0.050 0.000 1.007 50 E CA 1.050 57.473 56.400 0.038 0.000 0.849 50 E CB -0.324 29.405 29.700 0.047 0.000 0.774 50 E HN 0.519 nan 8.360 nan 0.000 0.506 51 L N 0.655 121.889 121.223 0.019 0.000 2.408 51 L HA 0.277 4.617 4.340 0.000 0.000 0.215 51 L C 2.446 179.331 176.870 0.025 0.000 1.081 51 L CA 0.958 55.810 54.840 0.021 0.000 0.840 51 L CB -0.909 41.126 42.059 -0.040 0.000 1.002 51 L HN 0.136 nan 8.230 nan 0.000 0.468 52 A N 0.003 122.831 122.820 0.014 0.000 1.948 52 A HA -0.194 4.126 4.320 0.000 0.000 0.220 52 A C 2.322 179.920 177.584 0.022 0.000 1.177 52 A CA 1.875 53.919 52.037 0.012 0.000 0.636 52 A CB -0.637 18.368 19.000 0.008 0.000 0.815 52 A HN 0.344 nan 8.150 nan 0.000 0.449 53 A N -1.040 121.799 122.820 0.031 0.000 2.206 53 A HA 0.312 4.632 4.320 0.000 0.000 0.211 53 A C 1.736 179.345 177.584 0.042 0.000 1.158 53 A CA 0.832 52.889 52.037 0.033 0.000 0.761 53 A CB -0.348 18.672 19.000 0.035 0.000 0.801 53 A HN 0.469 nan 8.150 nan 0.000 0.473 54 L N -0.048 121.208 121.223 0.055 0.000 2.640 54 L HA 0.219 4.559 4.340 0.000 0.000 0.230 54 L C -0.171 176.732 176.870 0.055 0.000 1.123 54 L CA -0.371 54.510 54.840 0.069 0.000 0.900 54 L CB -0.071 42.059 42.059 0.118 0.000 1.146 54 L HN 0.171 nan 8.230 nan 0.000 0.484 55 I N 0.991 121.584 120.570 0.038 0.000 2.519 55 I HA 0.505 4.675 4.170 0.000 0.000 0.287 55 I C 0.769 176.901 176.117 0.024 0.000 1.047 55 I CA 0.322 61.639 61.300 0.028 0.000 1.381 55 I CB 0.643 38.652 38.000 0.016 0.000 1.417 55 I HN 0.093 nan 8.210 nan 0.000 0.540 56 G N 6.584 115.397 108.800 0.022 0.000 2.321 56 G HA2 0.420 4.380 3.960 0.000 0.000 0.296 56 G HA3 0.420 4.380 3.960 0.000 0.000 0.296 56 G C -1.381 173.529 174.900 0.016 0.000 1.287 56 G CA -1.002 44.109 45.100 0.018 0.000 0.846 56 G HN 0.467 nan 8.290 nan 0.000 0.508 57 R N 0.098 120.606 120.500 0.012 0.000 2.621 57 R HA 0.526 4.866 4.340 0.000 0.000 0.292 57 R C -1.731 174.574 176.300 0.008 0.000 0.969 57 R CA -0.889 55.216 56.100 0.009 0.000 0.887 57 R CB 2.562 32.865 30.300 0.004 0.000 1.180 57 R HN 0.440 nan 8.270 nan 0.000 0.450 58 D N 1.813 122.217 120.400 0.007 0.000 2.414 58 D HA 0.108 4.748 4.640 0.000 0.000 0.232 58 D C -0.212 176.084 176.300 -0.007 0.000 1.070 58 D CA -0.309 53.693 54.000 0.004 0.000 0.839 58 D CB 1.272 42.080 40.800 0.014 0.000 1.079 58 D HN 0.435 nan 8.370 nan 0.000 0.521 59 D N 2.367 122.758 120.400 -0.014 0.000 2.224 59 D HA -0.110 4.530 4.640 0.000 0.000 0.205 59 D C 0.975 177.254 176.300 -0.034 0.000 0.965 59 D CA 0.669 54.657 54.000 -0.021 0.000 0.852 59 D CB 0.487 41.275 40.800 -0.020 0.000 0.947 59 D HN 0.529 nan 8.370 nan 0.000 0.494 60 D N 0.663 121.036 120.400 -0.045 0.000 2.117 60 D HA -0.077 4.564 4.640 0.000 0.000 0.198 60 D C 2.007 178.267 176.300 -0.068 0.000 0.982 60 D CA 0.684 54.642 54.000 -0.071 0.000 0.828 60 D CB -0.068 40.671 40.800 -0.102 0.000 0.967 60 D HN 0.168 nan 8.370 nan 0.000 0.464 61 R N -0.116 120.359 120.500 -0.041 0.000 2.240 61 R HA 0.123 4.463 4.340 0.000 0.000 0.203 61 R C 0.133 176.427 176.300 -0.010 0.000 1.011 61 R CA -0.017 56.074 56.100 -0.015 0.000 1.007 61 R CB 0.332 30.642 30.300 0.016 0.000 0.911 61 R HN -0.056 nan 8.270 nan 0.000 0.468 62 R N 0.665 121.155 120.500 -0.017 0.000 3.423 62 R HA -0.123 4.217 4.340 0.000 0.000 0.271 62 R C -0.585 175.709 176.300 -0.009 0.000 1.093 62 R CA 1.342 57.433 56.100 -0.014 0.000 0.730 62 R CB -3.032 27.257 30.300 -0.017 0.000 1.190 62 R HN 0.440 nan 8.270 nan 0.000 0.437 63 T N -2.385 112.167 114.554 -0.004 0.000 2.940 63 T HA 0.714 5.064 4.350 0.000 0.000 0.288 63 T C 0.111 174.813 174.700 0.002 0.000 1.045 63 T CA -0.966 61.132 62.100 -0.003 0.000 1.018 63 T CB 2.997 71.866 68.868 0.000 0.000 1.151 63 T HN 0.295 nan 8.240 nan 0.000 0.529 64 E N -0.252 119.951 120.200 0.005 0.000 2.343 64 E HA 0.611 4.961 4.350 0.000 0.000 0.270 64 E C -1.472 175.139 176.600 0.018 0.000 0.895 64 E CA -1.085 55.322 56.400 0.012 0.000 0.767 64 E CB 2.015 31.721 29.700 0.011 0.000 1.248 64 E HN 0.498 nan 8.360 nan 0.000 0.440 65 T N 2.301 116.869 114.554 0.023 0.000 2.792 65 T HA 0.566 4.916 4.350 0.000 0.000 0.280 65 T C -0.242 174.472 174.700 0.024 0.000 0.990 65 T CA -0.594 61.524 62.100 0.030 0.000 0.960 65 T CB 0.331 69.224 68.868 0.042 0.000 0.939 65 T HN 0.512 nan 8.240 nan 0.000 0.439 66 I N -0.232 120.351 120.570 0.021 0.000 2.969 66 I HA 0.961 5.131 4.170 0.000 0.000 0.307 66 I C -0.624 175.483 176.117 -0.017 0.000 1.149 66 I CA -1.677 59.627 61.300 0.007 0.000 1.008 66 I CB 2.039 40.048 38.000 0.015 0.000 1.232 66 I HN 0.594 nan 8.210 nan 0.000 0.435 67 A N 4.017 126.817 122.820 -0.034 0.000 2.276 67 A HA 0.815 5.135 4.320 0.000 0.000 0.316 67 A C -0.229 177.305 177.584 -0.082 0.000 1.229 67 A CA -0.437 51.562 52.037 -0.063 0.000 0.851 67 A CB 0.843 19.812 19.000 -0.051 0.000 1.165 67 A HN 1.194 nan 8.150 nan 0.000 0.513 68 V N 0.361 120.205 119.914 -0.118 0.000 3.141 68 V HA 0.850 4.970 4.120 0.000 0.000 0.312 68 V C -0.384 175.654 176.094 -0.093 0.000 1.157 68 V CA -1.179 61.036 62.300 -0.141 0.000 1.041 68 V CB 1.826 33.497 31.823 -0.254 0.000 1.071 68 V HN 0.986 nan 8.190 nan 0.000 0.441 69 R N 0.532 120.983 120.500 -0.081 0.000 2.480 69 R HA 0.700 5.040 4.340 0.000 0.000 0.306 69 R C -1.035 175.253 176.300 -0.019 0.000 0.958 69 R CA -0.171 55.919 56.100 -0.016 0.000 0.861 69 R CB 2.030 32.312 30.300 -0.029 0.000 1.171 69 R HN 0.989 nan 8.270 nan 0.000 0.445 70 T N 3.545 118.141 114.554 0.071 0.000 2.779 70 T HA 0.390 4.741 4.350 0.000 0.000 0.280 70 T C -0.912 173.772 174.700 -0.027 0.000 0.987 70 T CA -0.452 61.671 62.100 0.039 0.000 0.966 70 T CB 1.531 70.508 68.868 0.182 0.000 0.933 70 T HN 0.237 nan 8.240 nan 0.000 0.442 71 V N 4.848 124.743 119.914 -0.031 0.000 2.495 71 V HA 0.501 4.621 4.120 0.000 0.000 0.298 71 V C -0.225 175.851 176.094 -0.032 0.000 1.031 71 V CA -0.842 61.433 62.300 -0.042 0.000 0.871 71 V CB 1.704 33.508 31.823 -0.031 0.000 0.988 71 V HN 0.801 nan 8.190 nan 0.000 0.432 72 I N 3.723 124.267 120.570 -0.044 0.000 2.307 72 I HA 0.332 4.502 4.170 0.000 0.000 0.289 72 I C 1.597 177.703 176.117 -0.019 0.000 1.021 72 I CA 0.016 61.301 61.300 -0.025 0.000 1.224 72 I CB 1.599 39.579 38.000 -0.032 0.000 1.376 72 I HN 0.768 nan 8.210 nan 0.000 0.470 73 G N 3.873 112.668 108.800 -0.008 0.000 2.440 73 G HA2 -0.172 3.789 3.960 0.000 0.000 0.218 73 G HA3 -0.172 3.789 3.960 0.000 0.000 0.218 73 G C 0.684 175.582 174.900 -0.004 0.000 1.154 73 G CA 0.611 45.707 45.100 -0.006 0.000 0.767 73 G HN 0.514 nan 8.290 nan 0.000 0.552 74 S N -1.191 114.509 115.700 0.001 0.000 2.720 74 S HA 0.405 4.875 4.470 0.000 0.000 0.278 74 S C 0.901 175.506 174.600 0.007 0.000 1.172 74 S CA -0.755 57.448 58.200 0.004 0.000 1.019 74 S CB 0.947 64.152 63.200 0.008 0.000 1.049 74 S HN 0.112 nan 8.310 nan 0.000 0.483 75 L N 2.948 124.175 121.223 0.005 0.000 2.261 75 L HA -0.091 4.249 4.340 0.000 0.000 0.216 75 L C 1.404 178.287 176.870 0.022 0.000 1.114 75 L CA 1.049 55.895 54.840 0.011 0.000 0.777 75 L CB -0.286 41.779 42.059 0.009 0.000 0.910 75 L HN 0.618 nan 8.230 nan 0.000 0.440 76 D N -0.525 119.888 120.400 0.021 0.000 2.269 76 D HA -0.061 4.579 4.640 0.000 0.000 0.208 76 D C 0.536 176.854 176.300 0.029 0.000 0.963 76 D CA 0.715 54.731 54.000 0.027 0.000 0.864 76 D CB -0.119 40.695 40.800 0.023 0.000 0.936 76 D HN 0.243 nan 8.370 nan 0.000 0.505 77 D N -0.332 120.084 120.400 0.026 0.000 2.362 77 D HA 0.058 4.698 4.640 0.000 0.000 0.242 77 D C 0.039 176.360 176.300 0.034 0.000 1.132 77 D CA -0.340 53.677 54.000 0.028 0.000 0.907 77 D CB 1.354 42.168 40.800 0.023 0.000 1.195 77 D HN -0.211 nan 8.370 nan 0.000 0.429 78 V N 1.209 121.146 119.914 0.037 0.000 2.811 78 V HA 0.366 4.486 4.120 0.000 0.000 0.302 78 V C 0.045 176.163 176.094 0.040 0.000 1.063 78 V CA -0.601 61.725 62.300 0.044 0.000 1.088 78 V CB 0.976 32.826 31.823 0.046 0.000 0.982 78 V HN 0.672 nan 8.190 nan 0.000 0.485 79 A N 5.053 127.898 122.820 0.041 0.000 2.546 79 A HA 0.489 4.809 4.320 0.000 0.000 0.243 79 A C 1.184 178.791 177.584 0.040 0.000 1.063 79 A CA 0.548 52.609 52.037 0.040 0.000 0.757 79 A CB 0.286 19.305 19.000 0.031 0.000 0.991 79 A HN 1.751 nan 8.150 nan 0.000 0.503 80 A N 2.110 124.959 122.820 0.049 0.000 2.044 80 A HA 0.416 4.737 4.320 0.000 0.000 0.213 80 A C 0.533 178.149 177.584 0.053 0.000 1.169 80 A CA 1.302 53.368 52.037 0.049 0.000 0.724 80 A CB -0.092 18.939 19.000 0.053 0.000 0.840 80 A HN 0.999 nan 8.150 nan 0.000 0.463 81 D N -4.354 116.088 120.400 0.070 0.000 2.665 81 D HA 0.355 4.995 4.640 0.000 0.000 0.287 81 D C -2.899 173.435 176.300 0.057 0.000 1.266 81 D CA -1.332 52.706 54.000 0.063 0.000 0.830 81 D CB 0.305 41.182 40.800 0.128 0.000 1.356 81 D HN -0.216 nan 8.370 nan 0.000 0.437 82 P HA -0.038 nan 4.420 nan 0.000 0.221 82 P C 0.823 178.219 177.300 0.160 0.000 1.150 82 P CA 1.128 64.232 63.100 0.007 0.000 0.800 82 P CB -0.102 31.534 31.700 -0.107 0.000 0.787 83 Y N -0.174 120.246 120.300 0.200 0.000 2.181 83 Y HA -0.196 4.355 4.550 0.000 0.000 0.288 83 Y C 2.413 178.490 175.900 0.296 0.000 1.146 83 Y CA 1.409 59.675 58.100 0.277 0.000 1.164 83 Y CB -1.346 37.240 38.460 0.209 0.000 0.982 83 Y HN 0.028 nan 8.280 nan 0.000 0.515 84 D N 0.315 120.915 120.400 0.332 0.000 2.097 84 D HA -0.177 4.463 4.640 0.000 0.000 0.195 84 D C 2.230 178.607 176.300 0.127 0.000 0.989 84 D CA 1.430 55.532 54.000 0.170 0.000 0.827 84 D CB -0.171 40.703 40.800 0.124 0.000 0.966 84 D HN 0.291 nan 8.370 nan 0.000 0.456 85 A N -0.368 122.526 122.820 0.123 0.000 1.877 85 A HA -0.182 4.138 4.320 0.000 0.000 0.216 85 A C 2.291 179.894 177.584 0.032 0.000 1.186 85 A CA 1.294 53.349 52.037 0.029 0.000 0.620 85 A CB -1.335 17.631 19.000 -0.058 0.000 0.822 85 A HN 0.350 nan 8.150 nan 0.000 0.443 86 Y N -0.734 119.659 120.300 0.155 0.000 2.193 86 Y HA -0.222 4.328 4.550 0.000 0.000 0.285 86 Y C 2.285 178.402 175.900 0.362 0.000 1.166 86 Y CA 1.645 59.929 58.100 0.307 0.000 1.181 86 Y CB -0.355 38.363 38.460 0.429 0.000 0.976 86 Y HN 0.366 nan 8.280 nan 0.000 0.520 87 L N 0.426 121.784 121.223 0.224 0.000 2.056 87 L HA -0.160 4.180 4.340 0.000 0.000 0.207 87 L C 2.189 179.018 176.870 -0.069 0.000 1.078 87 L CA 1.591 56.234 54.840 -0.327 0.000 0.749 87 L CB -0.630 41.050 42.059 -0.632 0.000 0.901 87 L HN 0.037 nan 8.230 nan 0.000 0.433 88 R N -0.695 119.810 120.500 0.009 0.000 2.083 88 R HA -0.161 4.180 4.340 0.000 0.000 0.237 88 R C 2.273 178.620 176.300 0.078 0.000 1.137 88 R CA 1.997 58.116 56.100 0.032 0.000 0.951 88 R CB -0.622 29.697 30.300 0.032 0.000 0.851 88 R HN 0.387 nan 8.270 nan 0.000 0.434 89 L N -0.900 120.379 121.223 0.094 0.000 2.093 89 L HA -0.156 4.184 4.340 0.000 0.000 0.208 89 L C 2.148 179.090 176.870 0.120 0.000 1.085 89 L CA 1.280 56.166 54.840 0.077 0.000 0.755 89 L CB -0.453 41.590 42.059 -0.026 0.000 0.904 89 L HN 0.249 nan 8.230 nan 0.000 0.435 90 H N -0.342 118.799 119.070 0.118 0.000 2.389 90 H HA -0.093 4.463 4.556 0.000 0.000 0.299 90 H C 2.257 177.698 175.328 0.188 0.000 1.081 90 H CA 1.249 57.431 56.048 0.223 0.000 1.345 90 H CB -0.085 29.814 29.762 0.228 0.000 1.393 90 H HN 0.152 nan 8.280 nan 0.000 0.520 91 L N -0.316 121.018 121.223 0.186 0.000 2.017 91 L HA -0.199 4.141 4.340 0.000 0.000 0.208 91 L C 2.120 179.088 176.870 0.163 0.000 1.073 91 L CA 1.033 55.943 54.840 0.118 0.000 0.745 91 L CB -0.474 41.608 42.059 0.039 0.000 0.894 91 L HN 0.250 nan 8.230 nan 0.000 0.432 92 L N -0.949 120.361 121.223 0.145 0.000 1.989 92 L HA -0.228 4.112 4.340 0.000 0.000 0.211 92 L C 2.681 179.648 176.870 0.162 0.000 1.071 92 L CA 1.463 56.400 54.840 0.162 0.000 0.749 92 L CB -0.480 41.647 42.059 0.113 0.000 0.890 92 L HN 0.178 nan 8.230 nan 0.000 0.431 93 S N -1.993 113.776 115.700 0.116 0.000 2.406 93 S HA -0.126 4.344 4.470 0.000 0.000 0.228 93 S C 1.726 176.319 174.600 -0.010 0.000 1.020 93 S CA 0.559 58.776 58.200 0.028 0.000 0.965 93 S CB -0.409 62.785 63.200 -0.010 0.000 0.798 93 S HN 0.437 nan 8.310 nan 0.000 0.488 94 H N 1.221 120.316 119.070 0.042 0.000 2.561 94 H HA 0.116 4.672 4.556 0.000 0.000 0.278 94 H C 0.406 175.730 175.328 -0.007 0.000 1.014 94 H CA 0.596 56.667 56.048 0.038 0.000 1.211 94 H CB 0.088 29.901 29.762 0.084 0.000 1.365 94 H HN 0.321 nan 8.280 nan 0.000 0.594 95 R N -0.731 119.805 120.500 0.060 0.000 3.863 95 R HA -0.197 4.143 4.340 0.000 0.000 0.313 95 R C 1.077 177.461 176.300 0.139 0.000 1.202 95 R CA 0.403 56.528 56.100 0.041 0.000 0.852 95 R CB -2.049 28.141 30.300 -0.184 0.000 1.292 95 R HN 0.317 nan 8.270 nan 0.000 0.519 96 L N -0.231 121.082 121.223 0.150 0.000 2.240 96 L HA 0.036 4.377 4.340 0.000 0.000 0.211 96 L C 0.756 177.683 176.870 0.094 0.000 1.106 96 L CA 0.837 55.740 54.840 0.105 0.000 0.793 96 L CB 0.225 42.328 42.059 0.073 0.000 0.927 96 L HN -0.013 nan 8.230 nan 0.000 0.446 97 V N -0.456 119.530 119.914 0.120 0.000 2.656 97 V HA 0.583 4.703 4.120 0.000 0.000 0.307 97 V C 0.111 176.265 176.094 0.100 0.000 1.051 97 V CA -0.972 61.380 62.300 0.087 0.000 0.893 97 V CB 1.716 33.573 31.823 0.056 0.000 0.999 97 V HN 0.099 nan 8.190 nan 0.000 0.426 98 A N 5.931 128.745 122.820 -0.010 0.000 2.304 98 A HA 0.780 5.100 4.320 0.000 0.000 0.271 98 A C -2.541 174.908 177.584 -0.224 0.000 1.091 98 A CA -1.538 50.349 52.037 -0.249 0.000 0.812 98 A CB 0.001 18.867 19.000 -0.223 0.000 1.056 98 A HN 0.663 nan 8.150 nan 0.000 0.489 99 P HA 0.052 nan 4.420 nan 0.000 0.265 99 P C -0.185 176.977 177.300 -0.230 0.000 1.187 99 P CA 0.923 63.833 63.100 -0.317 0.000 0.766 99 P CB 0.037 31.521 31.700 -0.360 0.000 0.820 100 H N 0.333 119.375 119.070 -0.046 0.000 3.631 100 H HA -0.159 4.397 4.556 0.000 0.000 0.202 100 H C 1.464 176.783 175.328 -0.016 0.000 1.029 100 H CA 1.310 57.344 56.048 -0.023 0.000 1.208 100 H CB -2.137 27.608 29.762 -0.028 0.000 1.124 100 H HN 0.677 nan 8.280 nan 0.000 0.329 101 G N 0.399 109.217 108.800 0.030 0.000 2.650 101 G HA2 0.310 4.270 3.960 0.000 0.000 0.214 101 G HA3 0.310 4.270 3.960 0.000 0.000 0.214 101 G C 0.714 175.633 174.900 0.031 0.000 1.136 101 G CA 0.929 46.045 45.100 0.027 0.000 0.789 101 G HN 0.342 nan 8.290 nan 0.000 0.536 102 L N -3.968 117.275 121.223 0.034 0.000 2.491 102 L HA 0.587 4.927 4.340 0.000 0.000 0.254 102 L C -1.031 175.871 176.870 0.053 0.000 1.048 102 L CA -1.792 53.070 54.840 0.037 0.000 0.855 102 L CB 1.045 43.122 42.059 0.030 0.000 1.466 102 L HN -0.228 nan 8.230 nan 0.000 0.409 103 N N 0.813 119.546 118.700 0.054 0.000 2.405 103 N HA 0.475 5.215 4.740 0.000 0.000 0.260 103 N C 0.116 175.674 175.510 0.080 0.000 1.152 103 N CA 0.527 53.618 53.050 0.069 0.000 0.948 103 N CB 1.593 40.115 38.487 0.059 0.000 1.111 103 N HN 0.931 nan 8.380 nan 0.000 0.485 104 A N 2.639 125.523 122.820 0.105 0.000 2.465 104 A HA 0.364 4.684 4.320 0.000 0.000 0.255 104 A C 1.019 178.715 177.584 0.187 0.000 1.274 104 A CA -0.177 51.951 52.037 0.152 0.000 0.920 104 A CB -0.370 18.750 19.000 0.200 0.000 1.033 104 A HN 0.613 nan 8.150 nan 0.000 0.516 105 G N -2.001 106.884 108.800 0.141 0.000 2.636 105 G HA2 0.440 4.400 3.960 0.000 0.000 0.246 105 G HA3 0.440 4.400 3.960 0.000 0.000 0.246 105 G C 1.200 176.179 174.900 0.132 0.000 1.216 105 G CA 0.186 45.370 45.100 0.140 0.000 0.854 105 G HN 1.453 nan 8.290 nan 0.000 0.572 106 G N -0.490 108.396 108.800 0.143 0.000 2.175 106 G HA2 -0.309 3.651 3.960 0.000 0.000 0.265 106 G HA3 -0.309 3.651 3.960 0.000 0.000 0.265 106 G C 1.277 176.245 174.900 0.115 0.000 0.979 106 G CA 0.771 45.946 45.100 0.126 0.000 0.663 106 G HN 0.618 nan 8.290 nan 0.000 0.533 107 L N -1.309 119.988 121.223 0.123 0.000 2.093 107 L HA 0.044 4.385 4.340 0.000 0.000 0.208 107 L C 2.477 179.349 176.870 0.003 0.000 1.085 107 L CA 1.634 56.484 54.840 0.017 0.000 0.755 107 L CB -0.520 41.516 42.059 -0.038 0.000 0.904 107 L HN 0.304 nan 8.230 nan 0.000 0.435 108 F N 1.292 121.256 119.950 0.023 0.000 2.126 108 F HA -0.181 4.346 4.527 0.000 0.000 0.299 108 F C 2.201 177.990 175.800 -0.017 0.000 1.096 108 F CA 1.704 59.720 58.000 0.027 0.000 1.255 108 F CB -0.419 38.654 39.000 0.122 0.000 0.997 108 F HN -0.013 nan 8.300 nan 0.000 0.479 109 G N -1.109 107.758 108.800 0.113 0.000 2.511 109 G HA2 -0.090 3.870 3.960 0.000 0.000 0.217 109 G HA3 -0.090 3.870 3.960 0.000 0.000 0.217 109 G C 1.548 176.400 174.900 -0.080 0.000 1.133 109 G CA 0.882 45.989 45.100 0.011 0.000 0.792 109 G HN 0.355 nan 8.290 nan 0.000 0.539 110 V N 0.369 120.230 119.914 -0.089 0.000 2.825 110 V HA 0.286 4.406 4.120 0.000 0.000 0.246 110 V C 1.314 177.317 176.094 -0.152 0.000 1.068 110 V CA 0.133 62.377 62.300 -0.094 0.000 1.088 110 V CB -0.040 31.753 31.823 -0.050 0.000 0.733 110 V HN 0.168 nan 8.190 nan 0.000 0.468 111 L N 0.628 121.705 121.223 -0.243 0.000 2.417 111 L HA 0.210 4.550 4.340 0.000 0.000 0.268 111 L C 0.557 177.276 176.870 -0.252 0.000 1.158 111 L CA 0.188 54.863 54.840 -0.274 0.000 0.819 111 L CB 0.857 42.621 42.059 -0.492 0.000 1.112 111 L HN 0.125 nan 8.230 nan 0.000 0.458 112 T N 1.759 116.214 114.554 -0.165 0.000 2.907 112 T HA 0.059 4.409 4.350 0.000 0.000 0.298 112 T C 0.186 174.780 174.700 -0.177 0.000 1.017 112 T CA -0.400 61.601 62.100 -0.165 0.000 1.118 112 T CB 0.535 69.320 68.868 -0.139 0.000 0.948 112 T HN 0.413 nan 8.240 nan 0.000 0.531 113 N N 2.279 120.868 118.700 -0.185 0.000 2.470 113 N HA 0.245 4.985 4.740 0.000 0.000 0.268 113 N C -1.105 174.277 175.510 -0.213 0.000 1.136 113 N CA -0.060 52.897 53.050 -0.155 0.000 0.961 113 N CB 0.387 38.798 38.487 -0.126 0.000 1.067 113 N HN 0.280 nan 8.380 nan 0.000 0.468 114 V N 3.341 123.079 119.914 -0.293 0.000 2.680 114 V HA 0.359 4.479 4.120 0.000 0.000 0.309 114 V C -0.298 175.352 176.094 -0.741 0.000 1.052 114 V CA -0.983 60.930 62.300 -0.646 0.000 0.908 114 V CB 2.065 33.141 31.823 -1.246 0.000 1.001 114 V HN 0.364 nan 8.190 nan 0.000 0.431 115 V N 3.097 122.609 119.914 -0.671 0.000 2.353 115 V HA 0.251 4.371 4.120 0.000 0.000 0.264 115 V C -0.686 175.100 176.094 -0.515 0.000 1.049 115 V CA -0.451 61.490 62.300 -0.597 0.000 0.896 115 V CB 0.247 31.537 31.823 -0.888 0.000 1.025 115 V HN 0.861 nan 8.190 nan 0.000 0.475 116 W N 3.959 125.223 121.300 -0.059 0.000 2.358 116 W HA 0.549 5.209 4.660 0.000 0.000 0.307 116 W C 0.849 177.354 176.519 -0.022 0.000 1.203 116 W CA -0.360 57.015 57.345 0.049 0.000 1.279 116 W CB 1.066 30.627 29.460 0.169 0.000 1.264 116 W HN 0.630 nan 8.180 nan 0.000 0.474 117 T N -0.930 113.714 114.554 0.151 0.000 2.926 117 T HA 0.210 4.561 4.350 0.000 0.000 0.289 117 T C 0.913 175.546 174.700 -0.111 0.000 1.054 117 T CA -0.970 61.084 62.100 -0.077 0.000 1.015 117 T CB 1.379 70.311 68.868 0.106 0.000 1.167 117 T HN 0.462 nan 8.240 nan 0.000 0.526 118 N N 0.007 118.522 118.700 -0.308 0.000 2.571 118 N HA -0.106 4.634 4.740 0.000 0.000 0.189 118 N C 0.655 175.976 175.510 -0.315 0.000 1.154 118 N CA 0.580 53.515 53.050 -0.191 0.000 0.907 118 N CB -0.592 37.755 38.487 -0.233 0.000 0.977 118 N HN 0.743 nan 8.380 nan 0.000 0.449 119 H N -0.785 118.308 119.070 0.038 0.000 2.672 119 H HA 0.344 4.900 4.556 0.000 0.000 0.277 119 H C 1.147 176.513 175.328 0.064 0.000 1.074 119 H CA 0.456 56.532 56.048 0.047 0.000 1.173 119 H CB 0.716 30.498 29.762 0.034 0.000 1.558 119 H HN 0.415 nan 8.280 nan 0.000 0.539 120 G N 1.894 110.790 108.800 0.160 0.000 2.549 120 G HA2 -0.183 3.777 3.960 0.000 0.000 0.404 120 G HA3 -0.183 3.777 3.960 0.000 0.000 0.404 120 G C -2.952 172.043 174.900 0.159 0.000 1.292 120 G CA -1.146 44.052 45.100 0.163 0.000 0.935 120 G HN -0.012 nan 8.290 nan 0.000 0.512 121 P HA 0.543 nan 4.420 nan 0.000 0.275 121 P C -0.267 176.973 177.300 -0.101 0.000 1.227 121 P CA -0.223 62.834 63.100 -0.071 0.000 0.781 121 P CB 1.129 32.750 31.700 -0.131 0.000 0.906 122 C N 1.888 121.070 119.300 -0.197 0.000 2.802 122 C HA 0.756 5.216 4.460 0.000 0.000 0.307 122 C C 0.630 175.510 174.990 -0.182 0.000 1.222 122 C CA -0.409 58.556 59.018 -0.087 0.000 1.580 122 C CB 1.728 29.531 27.740 0.105 0.000 2.119 122 C HN 0.664 nan 8.230 nan 0.000 0.479 123 A N 1.288 124.058 122.820 -0.083 0.000 2.332 123 A HA 0.561 4.881 4.320 0.000 0.000 0.258 123 A C 0.840 178.383 177.584 -0.067 0.000 1.087 123 A CA -0.130 51.846 52.037 -0.102 0.000 0.802 123 A CB 0.057 19.024 19.000 -0.055 0.000 1.042 123 A HN 0.805 nan 8.150 nan 0.000 0.489 124 I N 0.223 120.735 120.570 -0.097 0.000 2.353 124 I HA -0.124 4.046 4.170 0.000 0.000 0.248 124 I C 0.237 176.375 176.117 0.035 0.000 1.119 124 I CA 0.961 62.228 61.300 -0.055 0.000 1.417 124 I CB -0.377 37.579 38.000 -0.073 0.000 1.078 124 I HN 0.683 nan 8.210 nan 0.000 0.421 125 D N 0.915 121.320 120.400 0.009 0.000 2.450 125 D HA 0.353 4.994 4.640 0.000 0.000 0.247 125 D C 1.172 177.498 176.300 0.043 0.000 1.162 125 D CA 1.041 55.053 54.000 0.019 0.000 0.879 125 D CB 0.302 41.099 40.800 -0.004 0.000 1.163 125 D HN 0.358 nan 8.370 nan 0.000 0.472 126 G N 1.850 110.673 108.800 0.039 0.000 2.168 126 G HA2 -0.395 3.565 3.960 0.000 0.000 0.257 126 G HA3 -0.395 3.565 3.960 0.000 0.000 0.257 126 G C 0.661 175.575 174.900 0.024 0.000 0.997 126 G CA 0.289 45.399 45.100 0.017 0.000 0.708 126 G HN 0.561 nan 8.290 nan 0.000 0.520 127 F N 0.889 120.813 119.950 -0.045 0.000 2.171 127 F HA -0.006 4.522 4.527 0.000 0.000 0.300 127 F C 2.386 178.161 175.800 -0.041 0.000 1.090 127 F CA 2.006 59.978 58.000 -0.048 0.000 1.293 127 F CB 0.202 39.171 39.000 -0.051 0.000 1.013 127 F HN 0.225 nan 8.300 nan 0.000 0.486 128 E N 0.645 120.757 120.200 -0.146 0.000 2.106 128 E HA -0.176 4.174 4.350 0.000 0.000 0.192 128 E C 2.412 178.860 176.600 -0.253 0.000 0.984 128 E CA 1.095 57.369 56.400 -0.211 0.000 0.806 128 E CB -0.880 28.788 29.700 -0.055 0.000 0.750 128 E HN 0.502 nan 8.360 nan 0.000 0.458 129 A N 1.044 123.754 122.820 -0.184 0.000 1.902 129 A HA -0.136 4.184 4.320 0.000 0.000 0.217 129 A C 2.634 180.085 177.584 -0.221 0.000 1.181 129 A CA 1.448 53.388 52.037 -0.160 0.000 0.623 129 A CB -0.698 18.242 19.000 -0.099 0.000 0.818 129 A HN 0.138 nan 8.150 nan 0.000 0.443 130 V N 0.158 119.898 119.914 -0.289 0.000 2.295 130 V HA -0.274 3.846 4.120 0.000 0.000 0.246 130 V C 2.662 178.487 176.094 -0.447 0.000 1.049 130 V CA 2.295 64.402 62.300 -0.323 0.000 1.024 130 V CB -0.802 30.860 31.823 -0.268 0.000 0.648 130 V HN 0.664 nan 8.190 nan 0.000 0.447 131 R N 0.218 120.270 120.500 -0.746 0.000 2.096 131 R HA -0.230 4.110 4.340 0.000 0.000 0.240 131 R C 2.232 178.346 176.300 -0.310 0.000 1.139 131 R CA 2.025 57.771 56.100 -0.590 0.000 0.952 131 R CB -0.470 29.462 30.300 -0.613 0.000 0.854 131 R HN 0.500 nan 8.270 nan 0.000 0.436 132 A N 0.693 123.360 122.820 -0.254 0.000 1.969 132 A HA -0.101 4.219 4.320 0.000 0.000 0.218 132 A C 2.164 179.660 177.584 -0.147 0.000 1.169 132 A CA 1.025 52.964 52.037 -0.162 0.000 0.635 132 A CB -0.329 18.595 19.000 -0.126 0.000 0.810 132 A HN 0.341 nan 8.150 nan 0.000 0.445 133 R N -0.635 119.765 120.500 -0.167 0.000 2.066 133 R HA 0.022 4.362 4.340 0.000 0.000 0.232 133 R C 1.943 178.139 176.300 -0.172 0.000 1.131 133 R CA 1.376 57.389 56.100 -0.145 0.000 0.955 133 R CB -0.449 29.770 30.300 -0.136 0.000 0.851 133 R HN 0.493 nan 8.270 nan 0.000 0.432 134 L N 0.303 121.383 121.223 -0.239 0.000 2.201 134 L HA -0.117 4.223 4.340 0.000 0.000 0.212 134 L C 2.519 179.226 176.870 -0.271 0.000 1.105 134 L CA 0.834 55.461 54.840 -0.355 0.000 0.775 134 L CB -0.323 41.425 42.059 -0.518 0.000 0.913 134 L HN 0.123 nan 8.230 nan 0.000 0.440 135 R N 0.514 120.914 120.500 -0.167 0.000 2.193 135 R HA -0.125 4.215 4.340 0.000 0.000 0.229 135 R C 2.222 178.486 176.300 -0.061 0.000 1.110 135 R CA 0.963 57.012 56.100 -0.084 0.000 0.988 135 R CB -0.206 30.052 30.300 -0.070 0.000 0.871 135 R HN 0.447 nan 8.270 nan 0.000 0.458 136 R N -0.228 120.225 120.500 -0.078 0.000 2.152 136 R HA -0.075 4.266 4.340 0.000 0.000 0.232 136 R C 2.098 178.379 176.300 -0.032 0.000 1.117 136 R CA 1.063 57.132 56.100 -0.051 0.000 0.981 136 R CB -0.130 30.137 30.300 -0.055 0.000 0.870 136 R HN 0.179 nan 8.270 nan 0.000 0.451 137 R N -0.052 120.422 120.500 -0.043 0.000 2.161 137 R HA 0.120 4.461 4.340 0.000 0.000 0.213 137 R C 0.820 177.164 176.300 0.074 0.000 1.055 137 R CA 0.721 56.831 56.100 0.017 0.000 0.996 137 R CB 0.426 30.742 30.300 0.027 0.000 0.901 137 R HN 0.289 nan 8.270 nan 0.000 0.456 138 G N 0.104 108.946 108.800 0.070 0.000 2.356 138 G HA2 0.009 3.969 3.960 0.000 0.000 0.288 138 G HA3 0.009 3.969 3.960 0.000 0.000 0.288 138 G C -3.028 171.939 174.900 0.111 0.000 1.302 138 G CA -1.304 43.849 45.100 0.090 0.000 0.887 138 G HN -0.235 nan 8.290 nan 0.000 0.521 139 P HA 0.362 nan 4.420 nan 0.000 0.265 139 P C -0.213 177.177 177.300 0.149 0.000 1.187 139 P CA -0.136 63.014 63.100 0.084 0.000 0.766 139 P CB 0.940 32.673 31.700 0.055 0.000 0.820 140 V N 3.931 123.910 119.914 0.108 0.000 2.384 140 V HA 0.324 4.444 4.120 0.000 0.000 0.287 140 V C 0.207 176.348 176.094 0.077 0.000 1.020 140 V CA -0.078 62.309 62.300 0.145 0.000 0.850 140 V CB 1.472 33.349 31.823 0.089 0.000 0.987 140 V HN 0.491 nan 8.190 nan 0.000 0.436 141 T N 4.538 119.096 114.554 0.006 0.000 2.792 141 T HA 0.525 4.875 4.350 0.000 0.000 0.280 141 T C -0.372 174.173 174.700 -0.259 0.000 0.990 141 T CA -0.383 61.651 62.100 -0.110 0.000 0.960 141 T CB 1.682 70.454 68.868 -0.161 0.000 0.939 141 T HN 0.302 nan 8.240 nan 0.000 0.439 142 V N 4.721 124.548 119.914 -0.144 0.000 2.347 142 V HA 0.241 4.361 4.120 0.000 0.000 0.280 142 V C 0.131 176.184 176.094 -0.068 0.000 1.021 142 V CA -0.489 61.728 62.300 -0.138 0.000 0.847 142 V CB 0.699 32.497 31.823 -0.042 0.000 0.990 142 V HN 0.975 nan 8.190 nan 0.000 0.444 143 Y N 3.407 123.784 120.300 0.129 0.000 2.337 143 Y HA 0.363 4.913 4.550 0.000 0.000 0.293 143 Y C 1.501 177.481 175.900 0.133 0.000 1.123 143 Y CA 0.499 58.669 58.100 0.117 0.000 1.201 143 Y CB 0.492 39.022 38.460 0.117 0.000 1.011 143 Y HN 0.719 nan 8.280 nan 0.000 0.545 144 G N -0.914 108.090 108.800 0.340 0.000 2.466 144 G HA2 0.456 4.417 3.960 0.000 0.000 0.291 144 G HA3 0.456 4.417 3.960 0.000 0.000 0.291 144 G C -2.246 172.847 174.900 0.322 0.000 1.460 144 G CA -0.691 44.589 45.100 0.299 0.000 0.791 144 G HN -0.261 nan 8.290 nan 0.000 0.505 145 V N 1.390 121.443 119.914 0.233 0.000 2.447 145 V HA 0.732 4.852 4.120 0.000 0.000 0.292 145 V C -0.909 175.305 176.094 0.200 0.000 1.021 145 V CA -0.350 62.021 62.300 0.118 0.000 0.850 145 V CB 1.326 33.149 31.823 0.001 0.000 1.005 145 V HN 0.978 nan 8.190 nan 0.000 0.426 146 D N 2.589 123.163 120.400 0.290 0.000 2.764 146 D HA 0.288 4.928 4.640 0.000 0.000 0.293 146 D C 0.235 176.757 176.300 0.370 0.000 1.287 146 D CA -0.616 53.583 54.000 0.331 0.000 0.768 146 D CB 1.816 42.858 40.800 0.402 0.000 1.288 146 D HN 0.251 nan 8.370 nan 0.000 0.426 147 K N -0.161 120.375 120.400 0.227 0.000 2.361 147 K HA 0.232 4.553 4.320 0.000 0.000 0.196 147 K C -0.084 176.435 176.600 -0.135 0.000 1.039 147 K CA 0.511 56.766 56.287 -0.054 0.000 1.001 147 K CB 0.327 32.609 32.500 -0.364 0.000 0.795 147 K HN 0.151 nan 8.250 nan 0.000 0.495 148 F N 1.433 121.508 119.950 0.208 0.000 2.493 148 F HA 0.315 4.842 4.527 0.000 0.000 0.329 148 F C -2.120 173.625 175.800 -0.092 0.000 1.126 148 F CA -2.676 55.343 58.000 0.031 0.000 0.937 148 F CB 1.561 40.555 39.000 -0.010 0.000 1.146 148 F HN -0.140 nan 8.300 nan 0.000 0.442 149 P HA 0.415 nan 4.420 nan 0.000 0.321 149 P C -1.094 176.055 177.300 -0.252 0.000 1.304 149 P CA -0.857 61.834 63.100 -0.681 0.000 0.759 149 P CB 0.946 32.046 31.700 -0.999 0.000 1.385 150 R N -0.069 120.301 120.500 -0.216 0.000 2.254 150 R HA 0.337 4.677 4.340 0.000 0.000 0.318 150 R C 1.578 177.887 176.300 0.015 0.000 1.031 150 R CA -0.383 55.660 56.100 -0.095 0.000 0.905 150 R CB 0.460 30.677 30.300 -0.139 0.000 1.050 150 R HN 0.486 nan 8.270 nan 0.000 0.456 151 M N 3.381 122.974 119.600 -0.011 0.000 2.089 151 M HA -0.219 4.261 4.480 0.000 0.000 0.257 151 M C 1.572 177.912 176.300 0.066 0.000 1.071 151 M CA 2.180 57.490 55.300 0.016 0.000 1.096 151 M CB 0.055 32.627 32.600 -0.046 0.000 1.330 151 M HN 0.578 nan 8.290 nan 0.000 0.403 152 V N -2.802 117.102 119.914 -0.017 0.000 3.305 152 V HA -0.113 4.007 4.120 0.000 0.000 0.269 152 V C 0.820 176.858 176.094 -0.094 0.000 1.157 152 V CA 1.611 63.878 62.300 -0.055 0.000 1.157 152 V CB -1.093 30.677 31.823 -0.089 0.000 0.772 152 V HN 0.349 nan 8.190 nan 0.000 0.498 153 D N -1.009 119.326 120.400 -0.109 0.000 2.340 153 D HA 0.104 4.744 4.640 0.000 0.000 0.220 153 D C 1.240 177.126 176.300 -0.691 0.000 1.039 153 D CA 0.861 54.644 54.000 -0.362 0.000 0.866 153 D CB 0.208 40.783 40.800 -0.375 0.000 0.913 153 D HN 0.675 nan 8.370 nan 0.000 0.523 154 Y N -1.055 119.184 120.300 -0.101 0.000 2.736 154 Y HA 0.256 4.806 4.550 0.000 0.000 0.272 154 Y C 0.523 176.557 175.900 0.222 0.000 1.118 154 Y CA -0.227 57.923 58.100 0.084 0.000 1.248 154 Y CB 1.280 39.801 38.460 0.102 0.000 1.437 154 Y HN -0.241 nan 8.280 nan 0.000 0.481 155 V N 0.518 120.555 119.914 0.204 0.000 2.969 155 V HA 0.563 4.683 4.120 0.000 0.000 0.304 155 V C -1.792 174.282 176.094 -0.032 0.000 1.192 155 V CA -0.915 61.432 62.300 0.079 0.000 0.962 155 V CB 2.173 33.914 31.823 -0.136 0.000 1.045 155 V HN -0.230 nan 8.190 nan 0.000 0.428 156 V N 8.632 128.517 119.914 -0.048 0.000 2.311 156 V HA 0.493 4.613 4.120 0.000 0.000 0.275 156 V C -1.926 174.113 176.094 -0.092 0.000 1.022 156 V CA -1.152 61.106 62.300 -0.069 0.000 0.830 156 V CB 1.397 33.189 31.823 -0.052 0.000 1.012 156 V HN 0.897 nan 8.190 nan 0.000 0.452 157 P HA 0.317 nan 4.420 nan 0.000 0.277 157 P C -0.069 177.179 177.300 -0.087 0.000 1.240 157 P CA -0.159 62.866 63.100 -0.126 0.000 0.798 157 P CB 0.832 32.439 31.700 -0.156 0.000 0.979 158 T N -3.358 111.154 114.554 -0.070 0.000 2.899 158 T HA 0.478 4.829 4.350 0.000 0.000 0.284 158 T C 1.038 175.708 174.700 -0.050 0.000 1.004 158 T CA 0.118 62.189 62.100 -0.048 0.000 1.043 158 T CB 0.423 69.272 68.868 -0.031 0.000 1.013 158 T HN 0.817 nan 8.240 nan 0.000 0.518 159 G N 0.054 108.830 108.800 -0.039 0.000 2.160 159 G HA2 -0.139 3.821 3.960 0.000 0.000 0.251 159 G HA3 -0.139 3.821 3.960 0.000 0.000 0.251 159 G C -0.096 174.778 174.900 -0.044 0.000 1.008 159 G CA 0.081 45.159 45.100 -0.036 0.000 0.724 159 G HN 1.069 nan 8.290 nan 0.000 0.514 160 V N 0.070 119.953 119.914 -0.051 0.000 2.735 160 V HA 0.703 4.823 4.120 0.000 0.000 0.310 160 V C 0.399 176.460 176.094 -0.055 0.000 1.061 160 V CA -1.020 61.245 62.300 -0.058 0.000 0.913 160 V CB 1.933 33.710 31.823 -0.076 0.000 1.005 160 V HN 0.377 nan 8.190 nan 0.000 0.428 161 R N 3.818 124.284 120.500 -0.056 0.000 2.589 161 R HA 0.754 5.094 4.340 0.000 0.000 0.293 161 R C -1.330 174.924 176.300 -0.077 0.000 0.963 161 R CA -0.705 55.358 56.100 -0.060 0.000 0.905 161 R CB 2.266 32.536 30.300 -0.050 0.000 1.144 161 R HN 0.571 nan 8.270 nan 0.000 0.459 162 I N 1.967 122.483 120.570 -0.091 0.000 2.503 162 I HA 0.184 4.354 4.170 0.000 0.000 0.282 162 I C 0.783 176.809 176.117 -0.152 0.000 1.059 162 I CA -0.310 60.922 61.300 -0.114 0.000 1.081 162 I CB 1.976 39.914 38.000 -0.104 0.000 1.210 162 I HN 0.792 nan 8.210 nan 0.000 0.450 163 A N 3.945 126.628 122.820 -0.229 0.000 1.902 163 A HA -0.128 4.192 4.320 0.000 0.000 0.217 163 A C 0.919 178.286 177.584 -0.362 0.000 1.181 163 A CA 1.629 53.435 52.037 -0.385 0.000 0.623 163 A CB -0.081 18.420 19.000 -0.831 0.000 0.818 163 A HN 0.697 nan 8.150 nan 0.000 0.443 164 D N -1.544 118.677 120.400 -0.298 0.000 2.420 164 D HA 0.552 5.192 4.640 0.000 0.000 0.255 164 D C 0.434 176.677 176.300 -0.095 0.000 1.185 164 D CA 0.224 54.132 54.000 -0.153 0.000 0.904 164 D CB 1.079 41.831 40.800 -0.081 0.000 1.102 164 D HN 0.108 nan 8.370 nan 0.000 0.534 165 A N 3.165 125.928 122.820 -0.095 0.000 2.239 165 A HA -0.074 4.246 4.320 0.000 0.000 0.209 165 A C 1.417 178.959 177.584 -0.070 0.000 1.171 165 A CA 0.524 52.508 52.037 -0.089 0.000 0.768 165 A CB -0.019 18.918 19.000 -0.105 0.000 0.790 165 A HN 0.424 nan 8.150 nan 0.000 0.478 166 D N 0.080 120.450 120.400 -0.050 0.000 2.310 166 D HA -0.080 4.560 4.640 0.000 0.000 0.212 166 D C 1.535 177.864 176.300 0.049 0.000 0.965 166 D CA 0.689 54.680 54.000 -0.016 0.000 0.879 166 D CB -0.045 40.760 40.800 0.009 0.000 0.921 166 D HN 0.305 nan 8.370 nan 0.000 0.510 167 R N 0.126 120.660 120.500 0.057 0.000 2.359 167 R HA 0.176 4.516 4.340 0.000 0.000 0.231 167 R C -0.231 176.125 176.300 0.094 0.000 0.913 167 R CA -0.006 56.200 56.100 0.175 0.000 1.075 167 R CB 0.954 31.347 30.300 0.155 0.000 1.087 167 R HN -0.006 nan 8.270 nan 0.000 0.515 168 V N 2.166 122.071 119.914 -0.015 0.000 2.380 168 V HA 0.289 4.409 4.120 0.000 0.000 0.286 168 V C 0.332 176.372 176.094 -0.091 0.000 1.015 168 V CA -0.844 61.378 62.300 -0.129 0.000 0.834 168 V CB 1.905 33.652 31.823 -0.127 0.000 1.009 168 V HN 0.080 nan 8.190 nan 0.000 0.428 169 R N 2.421 122.855 120.500 -0.110 0.000 2.590 169 R HA 0.256 4.596 4.340 0.000 0.000 0.274 169 R C -0.109 176.159 176.300 -0.053 0.000 1.061 169 R CA -0.586 55.489 56.100 -0.042 0.000 1.081 169 R CB 0.624 30.907 30.300 -0.029 0.000 0.984 169 R HN 0.549 nan 8.270 nan 0.000 0.448 170 L N 2.040 123.237 121.223 -0.043 0.000 2.525 170 L HA 0.079 4.419 4.340 0.000 0.000 0.278 170 L C 1.180 178.037 176.870 -0.021 0.000 1.218 170 L CA 2.089 56.876 54.840 -0.089 0.000 0.878 170 L CB 0.626 42.541 42.059 -0.240 0.000 1.127 170 L HN 0.926 nan 8.230 nan 0.000 0.492 171 G N 2.655 111.445 108.800 -0.016 0.000 2.232 171 G HA2 -0.158 3.802 3.960 0.000 0.000 0.226 171 G HA3 -0.158 3.802 3.960 0.000 0.000 0.226 171 G C 0.417 175.340 174.900 0.037 0.000 0.996 171 G CA 0.112 45.250 45.100 0.063 0.000 0.626 171 G HN 1.265 nan 8.290 nan 0.000 0.509 172 A N 1.063 123.865 122.820 -0.029 0.000 2.477 172 A HA 0.521 4.841 4.320 0.000 0.000 0.246 172 A C 0.196 177.777 177.584 -0.004 0.000 1.078 172 A CA 0.525 52.521 52.037 -0.068 0.000 0.770 172 A CB 0.107 19.020 19.000 -0.145 0.000 1.011 172 A HN 0.952 nan 8.150 nan 0.000 0.494 173 H N 3.434 122.446 119.070 -0.097 0.000 2.595 173 H HA 0.516 5.072 4.556 0.000 0.000 0.313 173 H C -1.728 173.557 175.328 -0.072 0.000 1.023 173 H CA -0.540 55.468 56.048 -0.067 0.000 1.218 173 H CB 0.588 30.316 29.762 -0.057 0.000 1.403 173 H HN 0.544 nan 8.280 nan 0.000 0.477 174 L N 5.238 126.322 121.223 -0.232 0.000 2.345 174 L HA 0.475 4.815 4.340 0.000 0.000 0.274 174 L C 0.524 177.272 176.870 -0.204 0.000 0.999 174 L CA -0.806 53.948 54.840 -0.144 0.000 0.849 174 L CB 1.387 43.372 42.059 -0.122 0.000 1.220 174 L HN 0.578 nan 8.230 nan 0.000 0.422 175 A N 5.105 127.858 122.820 -0.112 0.000 2.346 175 A HA 0.606 4.926 4.320 0.000 0.000 0.252 175 A C -2.339 175.204 177.584 -0.068 0.000 1.089 175 A CA -1.152 50.829 52.037 -0.092 0.000 0.797 175 A CB -0.217 18.800 19.000 0.029 0.000 1.047 175 A HN 0.399 nan 8.150 nan 0.000 0.494 176 P HA 0.253 nan 4.420 nan 0.000 0.266 176 P C 0.963 178.247 177.300 -0.027 0.000 1.195 176 P CA 1.958 65.033 63.100 -0.040 0.000 0.768 176 P CB 0.617 32.300 31.700 -0.028 0.000 0.838 177 G N 1.184 109.968 108.800 -0.028 0.000 2.213 177 G HA2 -0.207 3.753 3.960 0.000 0.000 0.236 177 G HA3 -0.207 3.753 3.960 0.000 0.000 0.236 177 G C 0.314 175.200 174.900 -0.024 0.000 0.991 177 G CA -0.002 45.086 45.100 -0.021 0.000 0.629 177 G HN 0.603 nan 8.290 nan 0.000 0.517 178 T N 2.018 116.553 114.554 -0.032 0.000 2.884 178 T HA 0.541 4.892 4.350 0.000 0.000 0.298 178 T C 0.110 174.785 174.700 -0.041 0.000 0.998 178 T CA 0.940 63.019 62.100 -0.035 0.000 1.124 178 T CB 1.388 70.231 68.868 -0.041 0.000 0.931 178 T HN 0.233 nan 8.240 nan 0.000 0.531 179 T N 2.966 117.498 114.554 -0.037 0.000 2.841 179 T HA 0.443 4.793 4.350 0.000 0.000 0.285 179 T C -0.379 174.294 174.700 -0.046 0.000 0.991 179 T CA -0.540 61.535 62.100 -0.042 0.000 0.966 179 T CB 1.163 70.014 68.868 -0.029 0.000 0.962 179 T HN 0.312 nan 8.240 nan 0.000 0.438 180 V N 5.562 125.438 119.914 -0.063 0.000 2.350 180 V HA 0.374 4.494 4.120 0.000 0.000 0.276 180 V C 0.338 176.386 176.094 -0.076 0.000 1.028 180 V CA -0.790 61.472 62.300 -0.064 0.000 0.860 180 V CB 0.958 32.732 31.823 -0.080 0.000 0.990 180 V HN 0.797 nan 8.190 nan 0.000 0.453 181 M N 2.603 122.178 119.600 -0.040 0.000 2.114 181 M HA 0.328 4.808 4.480 0.000 0.000 0.280 181 M C 1.570 177.845 176.300 -0.041 0.000 1.209 181 M CA -0.059 55.222 55.300 -0.032 0.000 1.044 181 M CB -0.154 32.486 32.600 0.067 0.000 1.404 181 M HN 0.665 nan 8.290 nan 0.000 0.499 182 H N -0.169 118.905 119.070 0.008 0.000 2.390 182 H HA -0.156 4.400 4.556 0.000 0.000 0.298 182 H C 1.498 176.842 175.328 0.027 0.000 1.106 182 H CA 1.933 57.989 56.048 0.015 0.000 1.297 182 H CB -0.009 29.759 29.762 0.010 0.000 1.375 182 H HN 0.532 nan 8.280 nan 0.000 0.509 183 E N 0.899 121.188 120.200 0.148 0.000 2.447 183 E HA 0.099 4.449 4.350 0.000 0.000 0.195 183 E C 1.009 177.665 176.600 0.094 0.000 1.028 183 E CA 0.215 56.676 56.400 0.102 0.000 0.876 183 E CB -0.067 29.680 29.700 0.078 0.000 0.885 183 E HN 0.429 nan 8.360 nan 0.000 0.500 184 G N 0.288 109.134 108.800 0.077 0.000 2.614 184 G HA2 0.273 4.233 3.960 0.000 0.000 0.239 184 G HA3 0.273 4.233 3.960 0.000 0.000 0.239 184 G C -0.851 174.136 174.900 0.145 0.000 1.240 184 G CA -0.095 45.048 45.100 0.071 0.000 0.842 184 G HN 0.175 nan 8.290 nan 0.000 0.584 185 F N 0.762 120.694 119.950 -0.029 0.000 2.635 185 F HA 0.548 5.075 4.527 0.000 0.000 0.314 185 F C -1.285 174.488 175.800 -0.046 0.000 1.119 185 F CA -1.039 56.940 58.000 -0.035 0.000 1.000 185 F CB 1.870 40.853 39.000 -0.028 0.000 1.278 185 F HN 0.460 nan 8.300 nan 0.000 0.446 186 V N 5.688 124.868 119.914 -1.224 0.000 2.569 186 V HA 0.377 4.497 4.120 0.000 0.000 0.301 186 V C -0.329 175.042 176.094 -1.206 0.000 1.044 186 V CA -0.870 60.852 62.300 -0.962 0.000 0.874 186 V CB 1.299 32.863 31.823 -0.432 0.000 1.002 186 V HN 0.865 nan 8.190 nan 0.000 0.424 187 N N 1.996 120.110 118.700 -0.976 0.000 2.366 187 N HA 0.315 5.055 4.740 0.000 0.000 0.277 187 N C -0.428 174.864 175.510 -0.365 0.000 1.275 187 N CA -0.296 52.418 53.050 -0.560 0.000 0.964 187 N CB 0.753 39.057 38.487 -0.305 0.000 1.167 187 N HN 0.674 nan 8.380 nan 0.000 0.568 188 Y N -0.385 119.727 120.300 -0.313 0.000 2.300 188 Y HA 0.244 4.794 4.550 0.000 0.000 0.328 188 Y C 0.791 176.582 175.900 -0.182 0.000 1.270 188 Y CA -1.004 56.957 58.100 -0.233 0.000 1.352 188 Y CB 0.019 38.333 38.460 -0.244 0.000 1.286 188 Y HN 0.683 nan 8.280 nan 0.000 0.536 189 N N -0.277 118.389 118.700 -0.057 0.000 2.727 189 N HA -0.163 4.577 4.740 0.000 0.000 0.249 189 N C -1.440 173.883 175.510 -0.312 0.000 1.048 189 N CA 0.915 53.855 53.050 -0.184 0.000 0.714 189 N CB -1.224 37.152 38.487 -0.185 0.000 0.959 189 N HN 1.256 nan 8.380 nan 0.000 0.544 190 A N -1.716 120.968 122.820 -0.227 0.000 2.586 190 A HA 0.919 5.239 4.320 0.000 0.000 0.290 190 A C 0.653 178.162 177.584 -0.126 0.000 1.086 190 A CA 0.297 52.208 52.037 -0.209 0.000 0.665 190 A CB 1.080 19.929 19.000 -0.252 0.000 1.279 190 A HN 1.284 nan 8.150 nan 0.000 0.423 191 G N -0.901 107.843 108.800 -0.093 0.000 2.347 191 G HA2 0.587 4.547 3.960 0.000 0.000 0.224 191 G HA3 0.587 4.547 3.960 0.000 0.000 0.224 191 G C -0.266 174.638 174.900 0.007 0.000 1.318 191 G CA 0.807 45.888 45.100 -0.033 0.000 1.016 191 G HN 2.224 nan 8.290 nan 0.000 0.469 192 T N -0.784 113.819 114.554 0.082 0.000 2.912 192 T HA 0.700 5.051 4.350 0.000 0.000 0.288 192 T C 0.982 175.768 174.700 0.143 0.000 1.030 192 T CA -0.564 61.574 62.100 0.064 0.000 1.020 192 T CB 1.845 70.729 68.868 0.026 0.000 1.056 192 T HN 0.693 nan 8.240 nan 0.000 0.480 193 L N 0.644 121.914 121.223 0.079 0.000 2.616 193 L HA 0.460 4.800 4.340 0.000 0.000 0.229 193 L C 1.340 178.258 176.870 0.080 0.000 1.110 193 L CA -0.034 54.867 54.840 0.101 0.000 0.884 193 L CB -0.230 41.848 42.059 0.032 0.000 1.115 193 L HN 0.985 nan 8.230 nan 0.000 0.481 194 G N -0.374 108.454 108.800 0.047 0.000 2.933 194 G HA2 0.603 4.563 3.960 0.000 0.000 0.203 194 G HA3 0.603 4.563 3.960 0.000 0.000 0.203 194 G C -1.443 173.462 174.900 0.010 0.000 1.170 194 G CA 0.139 45.254 45.100 0.025 0.000 0.880 194 G HN -0.037 nan 8.290 nan 0.000 0.573 195 A N 0.120 122.942 122.820 0.003 0.000 2.279 195 A HA 0.739 5.059 4.320 0.000 0.000 0.306 195 A C -0.119 177.462 177.584 -0.005 0.000 1.300 195 A CA -0.012 52.023 52.037 -0.005 0.000 0.925 195 A CB 0.124 19.122 19.000 -0.005 0.000 1.152 195 A HN 0.805 nan 8.150 nan 0.000 0.544 196 S N 1.413 117.107 115.700 -0.010 0.000 2.546 196 S HA 0.552 5.022 4.470 0.000 0.000 0.274 196 S C -0.684 173.907 174.600 -0.015 0.000 1.121 196 S CA -0.529 57.665 58.200 -0.010 0.000 0.887 196 S CB 1.472 64.666 63.200 -0.011 0.000 1.094 196 S HN 0.799 nan 8.310 nan 0.000 0.474 197 M N 3.809 123.403 119.600 -0.011 0.000 2.077 197 M HA 0.461 4.941 4.480 0.000 0.000 0.348 197 M C -1.578 174.715 176.300 -0.011 0.000 1.252 197 M CA -0.369 54.925 55.300 -0.010 0.000 1.096 197 M CB 0.125 32.722 32.600 -0.004 0.000 1.568 197 M HN 0.328 nan 8.290 nan 0.000 0.456 198 V N 6.750 126.655 119.914 -0.016 0.000 2.311 198 V HA 0.341 4.461 4.120 0.000 0.000 0.275 198 V C 0.125 176.217 176.094 -0.002 0.000 1.022 198 V CA -0.310 61.981 62.300 -0.015 0.000 0.830 198 V CB 0.553 32.357 31.823 -0.032 0.000 1.012 198 V HN 0.906 nan 8.190 nan 0.000 0.452 199 E N 2.976 123.182 120.200 0.009 0.000 2.603 199 E HA 0.375 4.725 4.350 0.000 0.000 0.211 199 E C 0.828 177.448 176.600 0.034 0.000 0.995 199 E CA 0.020 56.436 56.400 0.027 0.000 0.990 199 E CB 1.585 31.302 29.700 0.029 0.000 1.036 199 E HN 0.769 nan 8.360 nan 0.000 0.475 200 G N 0.868 109.685 108.800 0.028 0.000 3.222 200 G HA2 0.512 4.472 3.960 0.000 0.000 0.263 200 G HA3 0.512 4.472 3.960 0.000 0.000 0.263 200 G C -0.959 173.982 174.900 0.069 0.000 1.312 200 G CA -0.904 44.220 45.100 0.039 0.000 0.934 200 G HN -0.088 nan 8.290 nan 0.000 0.577 201 R N -0.090 120.460 120.500 0.084 0.000 2.295 201 R HA 0.432 4.772 4.340 0.000 0.000 0.324 201 R C -0.765 175.607 176.300 0.120 0.000 0.968 201 R CA -0.395 55.813 56.100 0.181 0.000 0.837 201 R CB 1.717 32.135 30.300 0.196 0.000 1.133 201 R HN 0.279 nan 8.270 nan 0.000 0.450 202 I N 2.659 123.276 120.570 0.078 0.000 2.306 202 I HA 0.146 4.316 4.170 0.000 0.000 0.288 202 I C 0.196 176.296 176.117 -0.029 0.000 1.036 202 I CA -0.215 61.070 61.300 -0.025 0.000 1.221 202 I CB 1.438 39.372 38.000 -0.111 0.000 1.385 202 I HN 0.540 nan 8.210 nan 0.000 0.472 203 S N 4.160 119.869 115.700 0.015 0.000 2.600 203 S HA 0.418 4.888 4.470 0.000 0.000 0.265 203 S C 0.603 175.134 174.600 -0.116 0.000 1.325 203 S CA -0.769 57.441 58.200 0.016 0.000 1.002 203 S CB 1.083 64.291 63.200 0.014 0.000 0.921 203 S HN 0.721 nan 8.310 nan 0.000 0.554 204 A N 0.504 123.203 122.820 -0.202 0.000 2.565 204 A HA 0.451 4.771 4.320 0.000 0.000 0.237 204 A C 1.529 178.963 177.584 -0.250 0.000 1.053 204 A CA 0.400 52.184 52.037 -0.422 0.000 0.755 204 A CB -1.225 17.396 19.000 -0.631 0.000 0.980 204 A HN 1.803 nan 8.150 nan 0.000 0.506 205 G N 0.878 109.520 108.800 -0.264 0.000 2.217 205 G HA2 -0.174 3.786 3.960 0.000 0.000 0.246 205 G HA3 -0.174 3.786 3.960 0.000 0.000 0.246 205 G C 0.229 175.165 174.900 0.060 0.000 0.990 205 G CA 0.135 45.185 45.100 -0.082 0.000 0.627 205 G HN 1.470 nan 8.290 nan 0.000 0.522 206 V N 1.264 121.152 119.914 -0.043 0.000 2.432 206 V HA 0.619 4.739 4.120 0.000 0.000 0.275 206 V C 0.512 176.586 176.094 -0.033 0.000 1.043 206 V CA -0.538 61.755 62.300 -0.011 0.000 0.925 206 V CB 1.694 33.498 31.823 -0.031 0.000 0.985 206 V HN 0.245 nan 8.190 nan 0.000 0.466 207 V N 5.627 125.541 119.914 -0.000 0.000 2.628 207 V HA 0.546 4.666 4.120 0.000 0.000 0.306 207 V C -0.377 175.706 176.094 -0.018 0.000 1.045 207 V CA -0.528 61.760 62.300 -0.020 0.000 0.905 207 V CB 2.293 34.117 31.823 0.002 0.000 0.997 207 V HN 0.603 nan 8.190 nan 0.000 0.436 208 V N 3.395 123.298 119.914 -0.019 0.000 2.487 208 V HA 0.685 4.805 4.120 0.000 0.000 0.298 208 V C 0.666 176.757 176.094 -0.005 0.000 1.028 208 V CA -0.415 61.876 62.300 -0.014 0.000 0.860 208 V CB 1.605 33.417 31.823 -0.018 0.000 0.991 208 V HN 0.958 nan 8.190 nan 0.000 0.427 209 G N 1.940 110.738 108.800 -0.004 0.000 2.537 209 G HA2 0.359 4.319 3.960 0.000 0.000 0.273 209 G HA3 0.359 4.319 3.960 0.000 0.000 0.273 209 G C -0.408 174.494 174.900 0.003 0.000 1.189 209 G CA -0.303 44.797 45.100 0.000 0.000 0.881 209 G HN 0.758 nan 8.290 nan 0.000 0.535 210 D N -0.896 119.508 120.400 0.007 0.000 2.533 210 D HA 0.348 4.988 4.640 0.000 0.000 0.236 210 D C 1.514 177.815 176.300 0.003 0.000 1.137 210 D CA 1.874 55.878 54.000 0.007 0.000 0.867 210 D CB 0.396 41.201 40.800 0.008 0.000 1.170 210 D HN 0.987 nan 8.370 nan 0.000 0.474 211 G N 2.330 111.131 108.800 0.001 0.000 2.199 211 G HA2 -0.249 3.711 3.960 0.000 0.000 0.254 211 G HA3 -0.249 3.711 3.960 0.000 0.000 0.254 211 G C 0.342 175.242 174.900 -0.001 0.000 0.982 211 G CA 0.351 45.451 45.100 -0.000 0.000 0.632 211 G HN 0.628 nan 8.290 nan 0.000 0.529 212 S N 1.669 117.368 115.700 -0.001 0.000 2.513 212 S HA 0.539 5.009 4.470 0.000 0.000 0.276 212 S C -0.465 174.132 174.600 -0.005 0.000 1.254 212 S CA -0.440 57.759 58.200 -0.003 0.000 1.053 212 S CB 1.401 64.599 63.200 -0.004 0.000 0.958 212 S HN 0.334 nan 8.310 nan 0.000 0.491 213 D N 1.715 122.112 120.400 -0.005 0.000 2.185 213 D HA 0.423 5.063 4.640 0.000 0.000 0.247 213 D C -0.682 175.612 176.300 -0.010 0.000 1.027 213 D CA -0.361 53.635 54.000 -0.007 0.000 0.861 213 D CB 1.707 42.505 40.800 -0.004 0.000 1.202 213 D HN 0.179 nan 8.370 nan 0.000 0.453 214 V N 1.855 121.762 119.914 -0.011 0.000 2.334 214 V HA 0.495 4.615 4.120 0.000 0.000 0.281 214 V C 1.053 177.142 176.094 -0.008 0.000 1.016 214 V CA -0.875 61.416 62.300 -0.015 0.000 0.832 214 V CB 1.232 33.045 31.823 -0.017 0.000 0.999 214 V HN 0.599 nan 8.190 nan 0.000 0.439 215 G N 3.239 112.032 108.800 -0.011 0.000 2.699 215 G HA2 0.411 4.371 3.960 0.000 0.000 0.246 215 G HA3 0.411 4.371 3.960 0.000 0.000 0.246 215 G C 0.643 175.544 174.900 0.001 0.000 1.219 215 G CA 0.048 45.145 45.100 -0.005 0.000 0.866 215 G HN 1.037 nan 8.290 nan 0.000 0.572 216 G N -1.308 107.496 108.800 0.008 0.000 2.254 216 G HA2 0.507 4.467 3.960 0.000 0.000 0.253 216 G HA3 0.507 4.467 3.960 0.000 0.000 0.253 216 G C 1.270 176.178 174.900 0.014 0.000 1.246 216 G CA 0.717 45.827 45.100 0.017 0.000 0.946 216 G HN 1.999 nan 8.290 nan 0.000 0.474 217 G N 1.114 109.927 108.800 0.022 0.000 2.179 217 G HA2 0.099 4.059 3.960 0.000 0.000 0.260 217 G HA3 0.099 4.059 3.960 0.000 0.000 0.260 217 G C 0.844 175.748 174.900 0.007 0.000 0.977 217 G CA 0.621 45.733 45.100 0.020 0.000 0.641 217 G HN 1.996 nan 8.290 nan 0.000 0.533 218 A N -0.138 122.675 122.820 -0.011 0.000 2.520 218 A HA 0.599 4.919 4.320 0.000 0.000 0.235 218 A C 0.844 178.405 177.584 -0.039 0.000 1.065 218 A CA 1.335 53.342 52.037 -0.051 0.000 0.764 218 A CB 0.579 19.540 19.000 -0.064 0.000 1.002 218 A HN 1.652 nan 8.150 nan 0.000 0.502 219 S N 1.490 117.135 115.700 -0.092 0.000 2.530 219 S HA 0.585 5.055 4.470 0.000 0.000 0.322 219 S C -0.591 173.961 174.600 -0.079 0.000 1.085 219 S CA -0.607 57.576 58.200 -0.029 0.000 1.096 219 S CB -0.163 63.088 63.200 0.086 0.000 0.988 219 S HN 0.472 nan 8.310 nan 0.000 0.466 220 I N 5.387 125.949 120.570 -0.014 0.000 2.330 220 I HA 0.370 4.540 4.170 0.000 0.000 0.289 220 I C 0.529 176.661 176.117 0.025 0.000 1.001 220 I CA -0.468 60.817 61.300 -0.024 0.000 1.193 220 I CB 1.144 39.128 38.000 -0.028 0.000 1.345 220 I HN 0.901 nan 8.210 nan 0.000 0.461 221 M N 3.965 123.593 119.600 0.047 0.000 2.353 221 M HA -0.148 4.332 4.480 0.000 0.000 0.202 221 M C 0.178 176.525 176.300 0.080 0.000 0.434 221 M CA 0.332 55.670 55.300 0.063 0.000 0.477 221 M CB -0.697 31.920 32.600 0.028 0.000 1.592 221 M HN 0.903 nan 8.290 nan 0.000 0.895 222 G N 0.346 109.234 108.800 0.147 0.000 2.531 222 G HA2 0.577 4.537 3.960 0.000 0.000 0.281 222 G HA3 0.577 4.537 3.960 0.000 0.000 0.281 222 G C -0.359 174.567 174.900 0.044 0.000 1.382 222 G CA -0.078 45.084 45.100 0.104 0.000 1.045 222 G HN 0.394 nan 8.290 nan 0.000 0.533 223 T N 0.971 115.523 114.554 -0.004 0.000 2.902 223 T HA 0.214 4.564 4.350 0.000 0.000 0.301 223 T C 1.094 175.732 174.700 -0.103 0.000 1.012 223 T CA 0.457 62.529 62.100 -0.047 0.000 1.151 223 T CB 0.188 69.024 68.868 -0.052 0.000 0.946 223 T HN 0.600 nan 8.240 nan 0.000 0.542 224 L N 1.558 122.725 121.223 -0.092 0.000 4.496 224 L HA -0.268 4.072 4.340 0.000 0.000 0.419 224 L C 2.021 178.802 176.870 -0.150 0.000 1.139 224 L CA 0.711 55.479 54.840 -0.120 0.000 0.975 224 L CB -2.243 39.732 42.059 -0.140 0.000 2.099 224 L HN 0.858 nan 8.230 nan 0.000 0.818 225 S N -1.203 114.442 115.700 -0.091 0.000 2.515 225 S HA 0.372 4.843 4.470 0.000 0.000 0.231 225 S C 0.964 175.572 174.600 0.015 0.000 0.987 225 S CA 0.711 58.917 58.200 0.009 0.000 0.936 225 S CB 0.662 63.969 63.200 0.178 0.000 0.766 225 S HN 0.969 nan 8.310 nan 0.000 0.528 226 G N -0.921 107.874 108.800 -0.009 0.000 2.321 226 G HA2 0.412 4.372 3.960 0.000 0.000 0.298 226 G HA3 0.412 4.372 3.960 0.000 0.000 0.298 226 G C 0.123 175.018 174.900 -0.009 0.000 1.385 226 G CA -0.400 44.697 45.100 -0.006 0.000 0.856 226 G HN 0.487 nan 8.290 nan 0.000 0.584 227 G N -0.531 108.265 108.800 -0.007 0.000 3.158 227 G HA2 0.410 4.370 3.960 0.000 0.000 0.204 227 G HA3 0.410 4.370 3.960 0.000 0.000 0.204 227 G C 1.702 176.593 174.900 -0.014 0.000 1.226 227 G CA 1.908 47.001 45.100 -0.011 0.000 1.039 227 G HN 2.431 nan 8.290 nan 0.000 0.496 228 G N -0.398 108.396 108.800 -0.011 0.000 3.078 228 G HA2 -0.440 3.520 3.960 0.000 0.000 0.227 228 G HA3 -0.440 3.520 3.960 0.000 0.000 0.227 228 G C 1.624 176.509 174.900 -0.026 0.000 1.306 228 G CA 1.286 46.376 45.100 -0.017 0.000 0.841 228 G HN 0.619 nan 8.290 nan 0.000 0.530 229 T N 0.988 115.512 114.554 -0.049 0.000 2.364 229 T HA -0.203 4.147 4.350 0.000 0.000 0.234 229 T C 1.157 175.771 174.700 -0.144 0.000 1.421 229 T CA 1.964 63.989 62.100 -0.126 0.000 1.176 229 T CB -0.459 68.304 68.868 -0.175 0.000 0.859 229 T HN 0.755 nan 8.240 nan 0.000 0.407 230 H N 0.503 119.561 119.070 -0.020 0.000 2.525 230 H HA 0.443 4.999 4.556 0.000 0.000 0.339 230 H C 0.158 175.468 175.328 -0.030 0.000 1.109 230 H CA -0.883 55.146 56.048 -0.031 0.000 1.352 230 H CB 0.760 30.500 29.762 -0.037 0.000 1.461 230 H HN 0.255 nan 8.280 nan 0.000 0.533 231 V N 3.140 123.122 119.914 0.113 0.000 2.811 231 V HA 0.188 4.309 4.120 0.000 0.000 0.302 231 V C 0.641 176.752 176.094 0.029 0.000 1.063 231 V CA -0.602 61.732 62.300 0.056 0.000 1.088 231 V CB 0.201 32.062 31.823 0.063 0.000 0.982 231 V HN 0.683 nan 8.190 nan 0.000 0.485 232 I N 1.893 122.474 120.570 0.018 0.000 2.924 232 I HA 0.938 5.108 4.170 0.000 0.000 0.316 232 I C 0.124 176.237 176.117 -0.006 0.000 1.014 232 I CA -0.375 60.922 61.300 -0.004 0.000 1.106 232 I CB 2.062 40.058 38.000 -0.006 0.000 1.311 232 I HN 0.945 nan 8.210 nan 0.000 0.502 233 S N 3.441 119.130 115.700 -0.018 0.000 2.556 233 S HA 0.676 5.146 4.470 0.000 0.000 0.271 233 S C -1.014 173.575 174.600 -0.017 0.000 1.135 233 S CA -0.849 57.342 58.200 -0.014 0.000 0.858 233 S CB 1.898 65.087 63.200 -0.018 0.000 1.114 233 S HN 0.535 nan 8.310 nan 0.000 0.468 234 I N 2.360 122.921 120.570 -0.015 0.000 2.412 234 I HA 0.549 4.719 4.170 0.000 0.000 0.296 234 I C 1.333 177.446 176.117 -0.008 0.000 0.987 234 I CA -0.246 61.047 61.300 -0.012 0.000 1.180 234 I CB 0.992 38.983 38.000 -0.015 0.000 1.340 234 I HN 1.046 nan 8.210 nan 0.000 0.455 235 G N 6.181 114.980 108.800 -0.003 0.000 2.529 235 G HA2 0.186 4.146 3.960 0.000 0.000 0.234 235 G HA3 0.186 4.146 3.960 0.000 0.000 0.234 235 G C -0.026 174.874 174.900 -0.000 0.000 1.527 235 G CA -0.432 44.667 45.100 -0.002 0.000 1.062 235 G HN 0.542 nan 8.290 nan 0.000 0.558 236 K N -0.148 120.253 120.400 0.001 0.000 2.118 236 K HA 0.413 4.733 4.320 0.000 0.000 0.267 236 K C 0.133 176.734 176.600 0.003 0.000 0.991 236 K CA -0.428 55.860 56.287 0.001 0.000 0.916 236 K CB 1.189 33.690 32.500 0.001 0.000 1.041 236 K HN 0.478 nan 8.250 nan 0.000 0.455 237 R N -0.707 119.795 120.500 0.002 0.000 3.758 237 R HA -0.206 4.134 4.340 0.000 0.000 0.299 237 R C -0.498 175.805 176.300 0.005 0.000 1.182 237 R CA 0.198 56.299 56.100 0.002 0.000 0.809 237 R CB -2.792 27.509 30.300 0.002 0.000 1.249 237 R HN 0.550 nan 8.270 nan 0.000 0.497 238 C N 0.350 119.654 119.300 0.006 0.000 2.520 238 C HA 0.560 5.020 4.460 0.000 0.000 0.376 238 C C 0.587 175.582 174.990 0.007 0.000 1.268 238 C CA -0.658 58.367 59.018 0.011 0.000 2.414 238 C CB 0.843 28.590 27.740 0.012 0.000 2.521 238 C HN 0.387 nan 8.230 nan 0.000 0.618 239 L N 2.880 124.110 121.223 0.012 0.000 2.404 239 L HA 0.592 4.933 4.340 0.000 0.000 0.272 239 L C -0.984 175.889 176.870 0.005 0.000 0.980 239 L CA -0.041 54.803 54.840 0.007 0.000 0.836 239 L CB 0.828 42.892 42.059 0.008 0.000 1.238 239 L HN 0.579 nan 8.230 nan 0.000 0.408 240 L N 5.267 126.484 121.223 -0.009 0.000 2.265 240 L HA 0.626 4.966 4.340 0.000 0.000 0.289 240 L C 1.086 177.942 176.870 -0.022 0.000 1.033 240 L CA -0.594 54.231 54.840 -0.025 0.000 0.814 240 L CB 1.298 43.327 42.059 -0.051 0.000 1.203 240 L HN 0.766 nan 8.230 nan 0.000 0.423 241 G N 2.052 110.841 108.800 -0.018 0.000 2.636 241 G HA2 0.397 4.357 3.960 0.000 0.000 0.246 241 G HA3 0.397 4.357 3.960 0.000 0.000 0.246 241 G C 0.214 175.102 174.900 -0.019 0.000 1.216 241 G CA -0.249 44.844 45.100 -0.012 0.000 0.854 241 G HN 0.798 nan 8.290 nan 0.000 0.572 242 A N 0.714 123.528 122.820 -0.009 0.000 2.531 242 A HA 0.342 4.662 4.320 0.000 0.000 0.236 242 A C 1.174 178.751 177.584 -0.011 0.000 1.062 242 A CA 0.444 52.477 52.037 -0.007 0.000 0.760 242 A CB -0.150 18.850 19.000 0.001 0.000 0.995 242 A HN 1.111 nan 8.150 nan 0.000 0.501 243 N N -0.683 118.011 118.700 -0.011 0.000 2.713 243 N HA -0.184 4.556 4.740 0.000 0.000 0.251 243 N C 0.411 175.904 175.510 -0.028 0.000 1.117 243 N CA 1.418 54.465 53.050 -0.005 0.000 0.770 243 N CB -1.989 36.505 38.487 0.012 0.000 1.137 243 N HN 1.114 nan 8.380 nan 0.000 0.566 244 S N -1.345 114.311 115.700 -0.074 0.000 2.661 244 S HA 0.779 5.249 4.470 0.000 0.000 0.265 244 S C 0.704 175.092 174.600 -0.353 0.000 1.225 244 S CA 0.081 58.191 58.200 -0.150 0.000 0.986 244 S CB 2.312 65.439 63.200 -0.122 0.000 1.008 244 S HN 0.483 nan 8.310 nan 0.000 0.565 245 G N -0.699 107.697 108.800 -0.674 0.000 2.706 245 G HA2 0.579 4.539 3.960 0.000 0.000 0.297 245 G HA3 0.579 4.539 3.960 0.000 0.000 0.297 245 G C -2.101 172.202 174.900 -0.995 0.000 1.403 245 G CA -0.679 43.526 45.100 -1.493 0.000 0.954 245 G HN 0.786 nan 8.290 nan 0.000 0.500 246 L N 1.601 122.444 121.223 -0.633 0.000 2.438 246 L HA 0.796 5.136 4.340 0.000 0.000 0.270 246 L C 0.632 177.465 176.870 -0.061 0.000 0.972 246 L CA -0.185 54.492 54.840 -0.273 0.000 0.831 246 L CB 2.189 44.125 42.059 -0.204 0.000 1.273 246 L HN 0.721 nan 8.230 nan 0.000 0.405 247 G N 5.383 114.181 108.800 -0.003 0.000 3.596 247 G HA2 0.337 4.297 3.960 0.000 0.000 0.274 247 G HA3 0.337 4.297 3.960 0.000 0.000 0.274 247 G C -0.077 174.817 174.900 -0.011 0.000 1.007 247 G CA 0.268 45.394 45.100 0.044 0.000 0.825 247 G HN 0.612 nan 8.290 nan 0.000 0.508 248 I N -3.235 117.299 120.570 -0.059 0.000 3.002 248 I HA 0.732 4.902 4.170 0.000 0.000 0.310 248 I C -0.391 175.697 176.117 -0.048 0.000 1.087 248 I CA -1.039 60.231 61.300 -0.051 0.000 1.017 248 I CB 2.020 39.979 38.000 -0.067 0.000 1.226 248 I HN -0.235 nan 8.210 nan 0.000 0.443 249 S N 3.211 118.894 115.700 -0.028 0.000 2.564 249 S HA 0.545 5.015 4.470 0.000 0.000 0.278 249 S C -0.219 174.378 174.600 -0.006 0.000 1.333 249 S CA -0.472 57.714 58.200 -0.023 0.000 1.048 249 S CB 0.542 63.725 63.200 -0.029 0.000 0.900 249 S HN 0.361 nan 8.310 nan 0.000 0.505 250 L N 1.905 123.129 121.223 0.001 0.000 2.334 250 L HA 0.587 4.927 4.340 0.000 0.000 0.273 250 L C 1.168 178.051 176.870 0.021 0.000 1.013 250 L CA -0.754 54.106 54.840 0.034 0.000 0.816 250 L CB 1.456 43.539 42.059 0.041 0.000 1.278 250 L HN 0.795 nan 8.230 nan 0.000 0.431 251 G N 0.602 109.420 108.800 0.029 0.000 2.873 251 G HA2 0.141 4.101 3.960 0.000 0.000 0.170 251 G HA3 0.141 4.101 3.960 0.000 0.000 0.170 251 G C -0.558 174.350 174.900 0.014 0.000 1.608 251 G CA -0.315 44.794 45.100 0.014 0.000 1.084 251 G HN 0.546 nan 8.290 nan 0.000 0.563 252 D N 0.447 120.853 120.400 0.010 0.000 2.229 252 D HA 0.311 4.951 4.640 0.000 0.000 0.249 252 D C -0.445 175.860 176.300 0.010 0.000 1.027 252 D CA -0.123 53.881 54.000 0.007 0.000 0.923 252 D CB 1.239 42.041 40.800 0.002 0.000 1.174 252 D HN 0.367 nan 8.370 nan 0.000 0.443 253 D N -0.125 120.281 120.400 0.009 0.000 2.800 253 D HA -0.157 4.483 4.640 0.000 0.000 0.232 253 D C -0.483 175.824 176.300 0.013 0.000 1.137 253 D CA 0.519 54.523 54.000 0.007 0.000 0.718 253 D CB -1.481 39.319 40.800 -0.000 0.000 1.084 253 D HN 0.252 nan 8.370 nan 0.000 0.432 254 C N -0.020 119.298 119.300 0.030 0.000 2.365 254 C HA 0.722 5.182 4.460 0.000 0.000 0.349 254 C C 0.740 175.767 174.990 0.062 0.000 1.191 254 C CA -0.642 58.411 59.018 0.058 0.000 2.114 254 C CB 2.105 29.911 27.740 0.110 0.000 2.367 254 C HN 0.148 nan 8.230 nan 0.000 0.530 255 V N 2.518 122.483 119.914 0.084 0.000 2.638 255 V HA 0.493 4.613 4.120 0.000 0.000 0.306 255 V C -0.591 175.595 176.094 0.153 0.000 1.052 255 V CA -0.416 61.932 62.300 0.079 0.000 0.885 255 V CB 1.805 33.651 31.823 0.039 0.000 0.999 255 V HN 0.676 nan 8.190 nan 0.000 0.424 256 V N 3.927 123.905 119.914 0.106 0.000 2.384 256 V HA 0.359 4.479 4.120 0.000 0.000 0.287 256 V C 0.359 176.483 176.094 0.051 0.000 1.020 256 V CA -0.602 61.760 62.300 0.104 0.000 0.850 256 V CB 1.513 33.337 31.823 0.001 0.000 0.987 256 V HN 1.014 nan 8.190 nan 0.000 0.436 257 E N 4.206 124.446 120.200 0.066 0.000 2.436 257 E HA 0.331 4.681 4.350 0.000 0.000 0.262 257 E C 0.312 176.921 176.600 0.016 0.000 1.063 257 E CA -0.208 56.214 56.400 0.037 0.000 0.944 257 E CB 1.035 30.762 29.700 0.045 0.000 0.950 257 E HN 0.836 nan 8.360 nan 0.000 0.444 258 A N 2.354 125.180 122.820 0.010 0.000 2.462 258 A HA 0.420 4.740 4.320 0.000 0.000 0.243 258 A C 1.217 178.805 177.584 0.007 0.000 1.076 258 A CA 0.502 52.540 52.037 0.002 0.000 0.773 258 A CB -0.248 18.755 19.000 0.005 0.000 1.010 258 A HN 1.158 nan 8.150 nan 0.000 0.493 259 G N 0.048 108.849 108.800 0.002 0.000 2.234 259 G HA2 -0.161 3.800 3.960 0.000 0.000 0.260 259 G HA3 -0.161 3.800 3.960 0.000 0.000 0.260 259 G C 0.094 175.010 174.900 0.027 0.000 0.987 259 G CA 0.529 45.639 45.100 0.016 0.000 0.625 259 G HN 1.559 nan 8.290 nan 0.000 0.532 260 L N 0.854 122.084 121.223 0.011 0.000 2.264 260 L HA 0.724 5.064 4.340 0.000 0.000 0.289 260 L C -0.251 176.609 176.870 -0.017 0.000 1.044 260 L CA -1.592 53.263 54.840 0.025 0.000 0.807 260 L CB 0.706 42.787 42.059 0.036 0.000 1.192 260 L HN 0.184 nan 8.230 nan 0.000 0.425 261 Y N 4.905 125.190 120.300 -0.024 0.000 2.454 261 Y HA 0.429 4.979 4.550 0.000 0.000 0.345 261 Y C -0.292 175.563 175.900 -0.073 0.000 0.970 261 Y CA -0.636 57.437 58.100 -0.046 0.000 1.204 261 Y CB 0.966 39.406 38.460 -0.034 0.000 1.122 261 Y HN 0.371 nan 8.280 nan 0.000 0.514 262 V N 6.091 125.998 119.914 -0.011 0.000 2.339 262 V HA 0.141 4.261 4.120 0.000 0.000 0.261 262 V C 0.358 176.467 176.094 0.024 0.000 1.058 262 V CA -0.420 61.828 62.300 -0.087 0.000 0.897 262 V CB 0.378 31.928 31.823 -0.455 0.000 1.052 262 V HN 0.838 nan 8.190 nan 0.000 0.480 263 T N 2.067 116.678 114.554 0.094 0.000 2.918 263 T HA 0.584 4.934 4.350 0.000 0.000 0.283 263 T C 1.427 176.129 174.700 0.004 0.000 1.001 263 T CA -0.010 62.134 62.100 0.074 0.000 1.041 263 T CB 1.886 70.765 68.868 0.019 0.000 1.028 263 T HN 0.597 nan 8.240 nan 0.000 0.511 264 A N 1.257 124.078 122.820 0.003 0.000 1.986 264 A HA 0.115 4.435 4.320 0.000 0.000 0.220 264 A C 2.183 179.769 177.584 0.002 0.000 1.171 264 A CA 1.703 53.739 52.037 -0.003 0.000 0.640 264 A CB -1.352 17.651 19.000 0.005 0.000 0.811 264 A HN 1.158 nan 8.150 nan 0.000 0.451 265 G N -1.685 107.115 108.800 0.000 0.000 3.126 265 G HA2 0.305 4.265 3.960 0.000 0.000 0.224 265 G HA3 0.305 4.265 3.960 0.000 0.000 0.224 265 G C 0.368 175.272 174.900 0.008 0.000 1.142 265 G CA 0.417 45.518 45.100 0.002 0.000 0.759 265 G HN 0.322 nan 8.290 nan 0.000 0.550 266 T N 1.287 115.848 114.554 0.011 0.000 2.817 266 T HA 0.161 4.511 4.350 0.000 0.000 0.295 266 T C 0.536 175.259 174.700 0.038 0.000 0.958 266 T CA -0.092 62.021 62.100 0.023 0.000 1.157 266 T CB 1.124 70.008 68.868 0.026 0.000 0.898 266 T HN 0.291 nan 8.240 nan 0.000 0.536 267 R N 3.084 123.607 120.500 0.038 0.000 2.316 267 R HA 0.362 4.702 4.340 0.000 0.000 0.314 267 R C -0.216 176.123 176.300 0.065 0.000 1.069 267 R CA -0.424 55.703 56.100 0.045 0.000 0.959 267 R CB 0.153 30.472 30.300 0.032 0.000 0.987 267 R HN 0.551 nan 8.270 nan 0.000 0.446 268 V N 1.263 121.227 119.914 0.085 0.000 2.628 268 V HA 0.522 4.642 4.120 0.000 0.000 0.306 268 V C -0.274 175.860 176.094 0.066 0.000 1.045 268 V CA -0.707 61.657 62.300 0.107 0.000 0.905 268 V CB 2.001 33.949 31.823 0.208 0.000 0.997 268 V HN 0.682 nan 8.190 nan 0.000 0.436 269 T N 6.646 121.229 114.554 0.049 0.000 2.806 269 T HA 0.578 4.928 4.350 0.000 0.000 0.290 269 T C 0.008 174.710 174.700 0.003 0.000 0.966 269 T CA -0.134 61.980 62.100 0.023 0.000 1.060 269 T CB 0.938 69.817 68.868 0.018 0.000 0.927 269 T HN 0.743 nan 8.240 nan 0.000 0.485 270 M N 3.809 123.407 119.600 -0.005 0.000 2.371 270 M HA 0.281 4.761 4.480 0.000 0.000 0.301 270 M C -1.325 174.960 176.300 -0.024 0.000 1.173 270 M CA -2.290 52.995 55.300 -0.024 0.000 1.020 270 M CB 0.837 33.424 32.600 -0.021 0.000 1.490 270 M HN 0.304 nan 8.290 nan 0.000 0.485 271 P HA -0.211 nan 4.420 nan 0.000 0.216 271 P C 0.377 177.666 177.300 -0.019 0.000 1.153 271 P CA 1.375 64.457 63.100 -0.029 0.000 0.858 271 P CB -0.238 31.441 31.700 -0.034 0.000 0.789 272 D N -1.916 118.474 120.400 -0.017 0.000 2.378 272 D HA -0.054 4.586 4.640 0.000 0.000 0.222 272 D C 0.528 176.824 176.300 -0.007 0.000 0.980 272 D CA 0.919 54.912 54.000 -0.011 0.000 0.907 272 D CB -0.346 40.448 40.800 -0.010 0.000 0.899 272 D HN 0.074 nan 8.370 nan 0.000 0.527 273 S N -1.089 114.607 115.700 -0.006 0.000 2.044 273 S HA -0.146 4.324 4.470 0.000 0.000 0.248 273 S C 0.117 174.717 174.600 0.001 0.000 1.146 273 S CA 0.173 58.371 58.200 -0.002 0.000 1.370 273 S CB -1.320 61.879 63.200 -0.002 0.000 1.698 273 S HN 0.387 nan 8.310 nan 0.000 0.578 274 N N 2.799 121.500 118.700 0.001 0.000 2.513 274 N HA 0.397 5.137 4.740 0.000 0.000 0.268 274 N C 0.022 175.537 175.510 0.009 0.000 1.180 274 N CA 0.550 53.602 53.050 0.004 0.000 0.948 274 N CB 1.133 39.621 38.487 0.003 0.000 1.083 274 N HN 0.657 nan 8.380 nan 0.000 0.455 275 S N 0.093 115.801 115.700 0.013 0.000 2.690 275 S HA 0.765 5.235 4.470 0.000 0.000 0.291 275 S C -0.071 174.544 174.600 0.024 0.000 1.138 275 S CA -0.759 57.453 58.200 0.021 0.000 1.013 275 S CB 2.076 65.290 63.200 0.023 0.000 1.053 275 S HN 0.353 nan 8.310 nan 0.000 0.539 276 V N 0.061 119.996 119.914 0.035 0.000 3.204 276 V HA 0.470 4.590 4.120 0.000 0.000 0.298 276 V C -1.656 174.467 176.094 0.048 0.000 1.328 276 V CA -1.014 61.308 62.300 0.037 0.000 1.035 276 V CB 2.263 34.108 31.823 0.037 0.000 1.095 276 V HN 0.951 nan 8.190 nan 0.000 0.442 277 K N 2.383 122.807 120.400 0.041 0.000 2.326 277 K HA 0.436 4.756 4.320 0.000 0.000 0.275 277 K C 1.115 177.749 176.600 0.056 0.000 1.018 277 K CA 0.461 56.773 56.287 0.042 0.000 0.962 277 K CB 1.439 33.956 32.500 0.027 0.000 0.953 277 K HN 0.896 nan 8.250 nan 0.000 0.475 278 A N 3.772 126.627 122.820 0.058 0.000 2.024 278 A HA -0.224 4.096 4.320 0.000 0.000 0.220 278 A C 1.955 179.568 177.584 0.049 0.000 1.164 278 A CA 1.627 53.707 52.037 0.072 0.000 0.643 278 A CB -0.375 18.622 19.000 -0.005 0.000 0.806 278 A HN 0.833 nan 8.150 nan 0.000 0.451 279 R N 0.047 120.564 120.500 0.028 0.000 2.152 279 R HA -0.100 4.240 4.340 0.000 0.000 0.232 279 R C 1.364 177.682 176.300 0.030 0.000 1.117 279 R CA 1.513 57.627 56.100 0.022 0.000 0.981 279 R CB -0.584 29.727 30.300 0.018 0.000 0.870 279 R HN 0.587 nan 8.270 nan 0.000 0.451 280 E N 1.065 121.288 120.200 0.037 0.000 2.338 280 E HA -0.079 4.271 4.350 0.000 0.000 0.197 280 E C 1.390 178.017 176.600 0.045 0.000 1.007 280 E CA 0.783 57.204 56.400 0.035 0.000 0.849 280 E CB 0.022 29.742 29.700 0.033 0.000 0.774 280 E HN 0.443 nan 8.360 nan 0.000 0.506 281 L N 0.248 121.514 121.223 0.072 0.000 2.640 281 L HA 0.130 4.470 4.340 0.000 0.000 0.230 281 L C 0.898 177.819 176.870 0.085 0.000 1.123 281 L CA -0.423 54.474 54.840 0.094 0.000 0.900 281 L CB 0.518 42.683 42.059 0.178 0.000 1.146 281 L HN -0.133 nan 8.230 nan 0.000 0.484 282 S N 0.668 116.398 115.700 0.051 0.000 2.673 282 S HA 0.165 4.635 4.470 0.000 0.000 0.308 282 S C 1.363 175.974 174.600 0.018 0.000 1.246 282 S CA 1.086 59.301 58.200 0.026 0.000 1.077 282 S CB 0.077 63.279 63.200 0.003 0.000 0.814 282 S HN 0.699 nan 8.310 nan 0.000 0.503 283 G N 3.630 112.442 108.800 0.020 0.000 2.199 283 G HA2 -0.249 3.711 3.960 0.000 0.000 0.254 283 G HA3 -0.249 3.711 3.960 0.000 0.000 0.254 283 G C 0.293 175.203 174.900 0.018 0.000 0.982 283 G CA 0.236 45.340 45.100 0.007 0.000 0.632 283 G HN 0.876 nan 8.290 nan 0.000 0.529 284 S N 0.364 116.086 115.700 0.037 0.000 2.584 284 S HA 0.604 5.074 4.470 0.000 0.000 0.270 284 S C 0.670 175.290 174.600 0.035 0.000 1.346 284 S CA 0.458 58.677 58.200 0.032 0.000 1.018 284 S CB 1.402 64.626 63.200 0.039 0.000 0.899 284 S HN 0.617 nan 8.310 nan 0.000 0.542 285 S N 1.553 117.262 115.700 0.015 0.000 2.704 285 S HA 0.474 4.944 4.470 0.000 0.000 0.305 285 S C 0.053 174.649 174.600 -0.006 0.000 1.107 285 S CA -1.022 57.184 58.200 0.010 0.000 0.993 285 S CB 0.732 63.933 63.200 0.002 0.000 1.110 285 S HN 0.771 nan 8.310 nan 0.000 0.534 286 N N 0.200 118.895 118.700 -0.008 0.000 2.754 286 N HA -0.146 4.594 4.740 0.000 0.000 0.248 286 N C -1.211 174.265 175.510 -0.057 0.000 1.093 286 N CA 0.454 53.488 53.050 -0.026 0.000 0.699 286 N CB -1.541 36.930 38.487 -0.028 0.000 1.016 286 N HN 0.478 nan 8.380 nan 0.000 0.552 287 L N 0.686 121.870 121.223 -0.065 0.000 2.307 287 L HA 0.527 4.867 4.340 0.000 0.000 0.284 287 L C 0.262 177.010 176.870 -0.203 0.000 1.023 287 L CA -0.889 53.840 54.840 -0.185 0.000 0.810 287 L CB 1.730 43.654 42.059 -0.226 0.000 1.231 287 L HN 0.082 nan 8.230 nan 0.000 0.423 288 L N 3.458 124.518 121.223 -0.272 0.000 2.287 288 L HA 0.521 4.861 4.340 0.000 0.000 0.287 288 L C -1.103 175.563 176.870 -0.341 0.000 1.022 288 L CA 0.157 54.883 54.840 -0.191 0.000 0.814 288 L CB 0.885 42.887 42.059 -0.095 0.000 1.217 288 L HN 0.215 nan 8.230 nan 0.000 0.420 289 F N 5.311 125.256 119.950 -0.010 0.000 2.408 289 F HA 0.683 5.210 4.527 0.000 0.000 0.344 289 F C 0.426 176.222 175.800 -0.006 0.000 1.112 289 F CA -0.254 57.742 58.000 -0.007 0.000 1.096 289 F CB 1.103 40.098 39.000 -0.009 0.000 1.129 289 F HN 0.538 nan 8.300 nan 0.000 0.486 290 R N 1.808 122.398 120.500 0.151 0.000 2.734 290 R HA 0.590 4.930 4.340 0.000 0.000 0.271 290 R C -1.642 174.706 176.300 0.081 0.000 1.021 290 R CA -1.231 54.926 56.100 0.095 0.000 0.893 290 R CB 1.709 32.036 30.300 0.045 0.000 1.244 290 R HN 0.637 nan 8.270 nan 0.000 0.464 291 R N 1.915 122.452 120.500 0.060 0.000 2.229 291 R HA 0.157 4.497 4.340 0.000 0.000 0.332 291 R C -0.622 175.697 176.300 0.033 0.000 0.989 291 R CA -0.662 55.468 56.100 0.049 0.000 0.842 291 R CB 0.873 31.201 30.300 0.047 0.000 1.119 291 R HN 0.675 nan 8.270 nan 0.000 0.456 292 N N 2.378 121.095 118.700 0.028 0.000 2.332 292 N HA -0.121 4.619 4.740 0.000 0.000 0.274 292 N C 0.802 176.322 175.510 0.017 0.000 1.351 292 N CA 0.677 53.739 53.050 0.019 0.000 0.875 292 N CB 0.812 39.308 38.487 0.016 0.000 1.140 292 N HN 0.736 nan 8.380 nan 0.000 0.489 293 S N 2.138 117.846 115.700 0.015 0.000 2.500 293 S HA -0.083 4.387 4.470 0.000 0.000 0.239 293 S C 1.511 176.118 174.600 0.011 0.000 0.989 293 S CA 0.925 59.133 58.200 0.013 0.000 0.951 293 S CB 0.084 63.291 63.200 0.011 0.000 0.759 293 S HN 0.318 nan 8.310 nan 0.000 0.523 294 V N 1.353 121.273 119.914 0.010 0.000 2.690 294 V HA 0.120 4.240 4.120 0.000 0.000 0.240 294 V C 2.727 178.826 176.094 0.008 0.000 1.078 294 V CA 1.067 63.372 62.300 0.008 0.000 1.102 294 V CB -0.434 31.392 31.823 0.006 0.000 0.800 294 V HN 0.696 nan 8.190 nan 0.000 0.479 295 S N -0.044 115.662 115.700 0.010 0.000 2.517 295 S HA 0.302 4.772 4.470 0.000 0.000 0.214 295 S C 1.765 176.373 174.600 0.013 0.000 0.991 295 S CA 1.126 59.332 58.200 0.010 0.000 0.906 295 S CB 0.761 63.967 63.200 0.009 0.000 0.789 295 S HN 1.229 nan 8.310 nan 0.000 0.513 296 G N 1.242 110.051 108.800 0.016 0.000 2.267 296 G HA2 -0.210 3.750 3.960 0.000 0.000 0.257 296 G HA3 -0.210 3.750 3.960 0.000 0.000 0.257 296 G C 0.396 175.310 174.900 0.024 0.000 0.998 296 G CA 0.071 45.182 45.100 0.019 0.000 0.620 296 G HN 1.461 nan 8.290 nan 0.000 0.529 297 A N 0.433 123.267 122.820 0.024 0.000 2.511 297 A HA 0.542 4.862 4.320 0.000 0.000 0.242 297 A C 0.863 178.471 177.584 0.041 0.000 1.069 297 A CA 0.590 52.645 52.037 0.029 0.000 0.763 297 A CB 0.518 19.532 19.000 0.024 0.000 1.001 297 A HN 1.282 nan 8.150 nan 0.000 0.498 298 V N 3.853 123.800 119.914 0.055 0.000 2.479 298 V HA 0.153 4.273 4.120 0.000 0.000 0.281 298 V C 0.409 176.553 176.094 0.083 0.000 1.031 298 V CA 0.348 62.698 62.300 0.084 0.000 1.038 298 V CB -0.133 31.752 31.823 0.103 0.000 0.981 298 V HN 0.949 nan 8.190 nan 0.000 0.478 299 E N 3.097 123.343 120.200 0.076 0.000 2.277 299 E HA 0.715 5.065 4.350 0.000 0.000 0.266 299 E C -1.285 175.308 176.600 -0.011 0.000 0.901 299 E CA -0.798 55.619 56.400 0.028 0.000 0.782 299 E CB 3.001 32.702 29.700 0.002 0.000 1.228 299 E HN 0.421 nan 8.360 nan 0.000 0.424 300 V N 3.106 122.958 119.914 -0.103 0.000 2.604 300 V HA 0.489 4.609 4.120 0.000 0.000 0.305 300 V C -1.533 174.429 176.094 -0.221 0.000 1.043 300 V CA -0.533 61.577 62.300 -0.316 0.000 0.888 300 V CB 1.287 32.813 31.823 -0.495 0.000 0.995 300 V HN 0.459 nan 8.190 nan 0.000 0.429 301 L N 4.933 126.013 121.223 -0.237 0.000 2.301 301 L HA 0.886 5.226 4.340 0.000 0.000 0.264 301 L C 0.300 177.074 176.870 -0.160 0.000 1.016 301 L CA -0.304 54.446 54.840 -0.151 0.000 0.821 301 L CB 1.773 43.770 42.059 -0.103 0.000 1.346 301 L HN 0.740 nan 8.230 nan 0.000 0.429 302 A N 1.089 123.845 122.820 -0.107 0.000 2.354 302 A HA 0.744 5.064 4.320 0.000 0.000 0.269 302 A C -0.045 177.497 177.584 -0.071 0.000 1.109 302 A CA -0.349 51.636 52.037 -0.088 0.000 0.800 302 A CB 0.235 19.198 19.000 -0.062 0.000 1.045 302 A HN 0.748 nan 8.150 nan 0.000 0.489 303 R N 0.000 120.463 120.500 -0.061 0.000 2.786 303 R HA 0.000 4.340 4.340 0.000 0.000 0.208 303 R CA 0.000 56.075 56.100 -0.042 0.000 0.921 303 R CB 0.000 30.278 30.300 -0.036 0.000 0.687 303 R HN 0.000 nan 8.270 nan 0.000 0.535