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 2o2z_1_D DATA FIRST_RESID 2 DATA SEQUENCE KKKNVIVFGG GTGLSVLLRG LKTFPVSITA IVTVADDGGS SGRLRKELDI DATA SEQUENCE PPPGDVRNVL VALSEVEPLL EQLFQHRFEN GXGLSGHSLG NLLLAGXTSI DATA SEQUENCE TGDFARGISE XSKVLNVRGK VLPASNRSII LHGEXEDGTI VTGESSIPKA DATA SEQUENCE GKKIKRVFLT PKDTKPLREG LEAIRKADVI VIGPGSLYTS VLPNLLVPGI DATA SEQUENCE CEAIKQSTAR KVYICNVXTQ NGETDGYTAS DHLQAIXDHC GVGIVDDILV DATA SEQUENCE HGEPISDTVK AKYAKEKAEP VIVDEHKLKA LGVGTISDYF VLEQXDVLRH DATA SEQUENCE NASKVSEAIL E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.620 176.600 0.033 0.000 0.988 2 K CA 0.000 56.305 56.287 0.029 0.000 0.838 2 K CB 0.000 32.513 32.500 0.022 0.000 1.064 3 K N 2.467 122.883 120.400 0.027 0.000 2.466 3 K HA 0.086 4.406 4.320 -0.000 0.000 0.278 3 K C -0.239 176.373 176.600 0.020 0.000 1.048 3 K CA 0.708 57.011 56.287 0.026 0.000 1.088 3 K CB -0.299 32.212 32.500 0.017 0.000 0.884 3 K HN 0.491 nan 8.250 nan 0.000 0.478 4 K N 2.161 122.573 120.400 0.020 0.000 2.375 4 K HA 0.346 4.665 4.320 -0.000 0.000 0.249 4 K C -0.905 175.697 176.600 0.003 0.000 0.942 4 K CA -1.117 55.176 56.287 0.011 0.000 0.806 4 K CB 1.643 34.149 32.500 0.011 0.000 1.227 4 K HN 0.655 nan 8.250 nan 0.000 0.430 5 N N 1.542 120.240 118.700 -0.003 0.000 2.430 5 N HA 0.193 4.933 4.740 -0.000 0.000 0.265 5 N C -1.062 174.436 175.510 -0.019 0.000 1.100 5 N CA -0.139 52.905 53.050 -0.011 0.000 0.961 5 N CB 1.252 39.733 38.487 -0.010 0.000 1.075 5 N HN 0.147 nan 8.380 nan 0.000 0.478 6 V N 3.588 123.483 119.914 -0.032 0.000 2.487 6 V HA 0.456 4.576 4.120 -0.000 0.000 0.298 6 V C 0.138 176.190 176.094 -0.070 0.000 1.028 6 V CA -0.883 61.390 62.300 -0.045 0.000 0.860 6 V CB 2.091 33.882 31.823 -0.053 0.000 0.991 6 V HN 0.521 nan 8.190 nan 0.000 0.427 7 I N 5.265 125.788 120.570 -0.079 0.000 2.404 7 I HA 0.695 4.865 4.170 -0.000 0.000 0.293 7 I C -1.067 174.942 176.117 -0.179 0.000 0.992 7 I CA -0.436 60.768 61.300 -0.160 0.000 1.149 7 I CB 1.599 39.488 38.000 -0.184 0.000 1.315 7 I HN 0.402 nan 8.210 nan 0.000 0.446 8 V N 7.654 127.418 119.914 -0.250 0.000 2.540 8 V HA 0.436 4.556 4.120 -0.000 0.000 0.302 8 V C -0.773 175.155 176.094 -0.276 0.000 1.035 8 V CA -0.500 61.699 62.300 -0.168 0.000 0.873 8 V CB 1.566 33.329 31.823 -0.099 0.000 0.992 8 V HN 0.476 nan 8.190 nan 0.000 0.428 9 F N 2.914 122.861 119.950 -0.005 0.000 2.411 9 F HA 0.857 5.384 4.527 -0.000 0.000 0.352 9 F C 0.843 176.650 175.800 0.010 0.000 1.123 9 F CA 0.107 58.111 58.000 0.007 0.000 1.044 9 F CB 1.902 40.910 39.000 0.013 0.000 1.135 9 F HN 0.731 nan 8.300 nan 0.000 0.461 10 G N 0.947 109.846 108.800 0.164 0.000 2.494 10 G HA2 0.508 4.468 3.960 -0.000 0.000 0.308 10 G HA3 0.508 4.468 3.960 -0.000 0.000 0.308 10 G C -0.520 174.433 174.900 0.088 0.000 1.263 10 G CA -0.051 45.116 45.100 0.112 0.000 0.840 10 G HN 0.856 nan 8.290 nan 0.000 0.479 11 G N -1.225 107.617 108.800 0.068 0.000 2.543 11 G HA2 0.561 4.521 3.960 -0.000 0.000 0.202 11 G HA3 0.561 4.521 3.960 -0.000 0.000 0.202 11 G C 0.999 175.932 174.900 0.055 0.000 1.897 11 G CA 1.191 46.329 45.100 0.063 0.000 0.726 11 G HN 1.410 nan 8.290 nan 0.000 0.804 12 G N -0.331 108.499 108.800 0.050 0.000 2.568 12 G HA2 0.269 4.229 3.960 -0.000 0.000 0.212 12 G HA3 0.269 4.229 3.960 -0.000 0.000 0.212 12 G C 1.799 176.725 174.900 0.044 0.000 1.821 12 G CA 2.166 47.295 45.100 0.048 0.000 0.904 12 G HN 0.884 nan 8.290 nan 0.000 0.566 13 T N -1.400 113.180 114.554 0.043 0.000 2.937 13 T HA 0.163 4.513 4.350 -0.000 0.000 0.260 13 T C 2.407 177.133 174.700 0.044 0.000 1.051 13 T CA 1.662 63.787 62.100 0.042 0.000 1.141 13 T CB -0.516 68.376 68.868 0.041 0.000 0.879 13 T HN 0.374 nan 8.240 nan 0.000 0.459 14 G N 1.709 110.538 108.800 0.049 0.000 2.421 14 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.216 14 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.216 14 G C 1.471 176.390 174.900 0.033 0.000 1.171 14 G CA 1.043 46.176 45.100 0.056 0.000 0.775 14 G HN 0.467 nan 8.290 nan 0.000 0.543 15 L N 1.065 122.304 121.223 0.027 0.000 2.046 15 L HA 0.030 4.370 4.340 -0.000 0.000 0.208 15 L C 2.950 179.825 176.870 0.009 0.000 1.077 15 L CA 2.230 57.077 54.840 0.011 0.000 0.747 15 L CB -0.713 41.358 42.059 0.020 0.000 0.896 15 L HN 0.175 nan 8.230 nan 0.000 0.432 16 S N -1.206 114.507 115.700 0.022 0.000 2.356 16 S HA -0.164 4.306 4.470 -0.000 0.000 0.223 16 S C 1.970 176.584 174.600 0.023 0.000 1.032 16 S CA 1.443 59.657 58.200 0.023 0.000 1.005 16 S CB -0.399 62.822 63.200 0.034 0.000 0.867 16 S HN 0.334 nan 8.310 nan 0.000 0.449 17 V N 1.898 121.830 119.914 0.030 0.000 2.287 17 V HA -0.155 3.965 4.120 -0.000 0.000 0.248 17 V C 2.263 178.372 176.094 0.026 0.000 1.053 17 V CA 1.690 64.011 62.300 0.035 0.000 1.027 17 V CB -0.662 31.191 31.823 0.049 0.000 0.646 17 V HN 0.380 nan 8.190 nan 0.000 0.447 18 L N -0.333 120.894 121.223 0.006 0.000 2.017 18 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 18 L C 2.196 179.052 176.870 -0.023 0.000 1.073 18 L CA 1.893 56.717 54.840 -0.028 0.000 0.745 18 L CB -0.571 41.442 42.059 -0.076 0.000 0.894 18 L HN 0.194 nan 8.230 nan 0.000 0.432 19 L N -0.687 120.526 121.223 -0.016 0.000 2.083 19 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 19 L C 2.792 179.668 176.870 0.010 0.000 1.083 19 L CA 1.415 56.247 54.840 -0.013 0.000 0.752 19 L CB -0.559 41.491 42.059 -0.016 0.000 0.899 19 L HN 0.348 nan 8.230 nan 0.000 0.433 20 R N 0.166 120.677 120.500 0.019 0.000 2.105 20 R HA -0.154 4.186 4.340 -0.000 0.000 0.239 20 R C 2.179 178.513 176.300 0.057 0.000 1.135 20 R CA 1.555 57.674 56.100 0.031 0.000 0.967 20 R CB -0.310 30.009 30.300 0.031 0.000 0.861 20 R HN 0.399 nan 8.270 nan 0.000 0.442 21 G N 0.590 109.433 108.800 0.071 0.000 2.408 21 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.213 21 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.213 21 G C 1.228 176.253 174.900 0.209 0.000 1.177 21 G CA 0.224 45.407 45.100 0.139 0.000 0.802 21 G HN 0.279 nan 8.290 nan 0.000 0.533 22 L N 1.762 123.029 121.223 0.074 0.000 2.187 22 L HA -0.038 4.302 4.340 -0.000 0.000 0.213 22 L C 2.812 179.774 176.870 0.152 0.000 1.100 22 L CA 2.330 57.180 54.840 0.017 0.000 0.765 22 L CB -0.390 41.614 42.059 -0.091 0.000 0.904 22 L HN 0.461 nan 8.230 nan 0.000 0.437 23 K N -1.589 118.878 120.400 0.112 0.000 2.362 23 K HA -0.098 4.222 4.320 -0.000 0.000 0.200 23 K C 1.513 178.178 176.600 0.109 0.000 1.046 23 K CA 1.471 57.810 56.287 0.086 0.000 0.952 23 K CB -0.758 31.765 32.500 0.038 0.000 0.753 23 K HN 0.490 nan 8.250 nan 0.000 0.466 24 T N -1.796 112.854 114.554 0.161 0.000 3.113 24 T HA 0.100 4.450 4.350 -0.000 0.000 0.256 24 T C 0.336 175.037 174.700 0.001 0.000 1.131 24 T CA -0.357 61.780 62.100 0.062 0.000 1.074 24 T CB -0.320 68.549 68.868 0.002 0.000 0.944 24 T HN 0.032 nan 8.240 nan 0.000 0.516 25 F N 2.674 122.620 119.950 -0.007 0.000 2.370 25 F HA 0.454 4.981 4.527 -0.000 0.000 0.319 25 F C -1.956 173.839 175.800 -0.008 0.000 1.129 25 F CA -2.634 55.363 58.000 -0.005 0.000 1.109 25 F CB 0.439 39.437 39.000 -0.004 0.000 1.262 25 F HN -0.114 nan 8.300 nan 0.000 0.534 26 P HA 0.179 nan 4.420 nan 0.000 0.244 26 P C -1.210 176.144 177.300 0.090 0.000 1.769 26 P CA 0.175 63.326 63.100 0.086 0.000 1.102 26 P CB -0.170 31.562 31.700 0.055 0.000 1.937 27 V N -0.997 118.964 119.914 0.080 0.000 2.971 27 V HA 0.608 4.728 4.120 -0.000 0.000 0.309 27 V C -0.343 175.764 176.094 0.023 0.000 1.130 27 V CA -0.945 61.384 62.300 0.047 0.000 0.964 27 V CB 2.092 33.940 31.823 0.042 0.000 1.029 27 V HN 0.083 nan 8.190 nan 0.000 0.427 28 S N 3.936 119.639 115.700 0.005 0.000 2.422 28 S HA 0.694 5.164 4.470 -0.000 0.000 0.308 28 S C -0.232 174.355 174.600 -0.023 0.000 1.097 28 S CA -0.351 57.844 58.200 -0.008 0.000 1.099 28 S CB 0.510 63.703 63.200 -0.011 0.000 0.976 28 S HN 0.637 nan 8.310 nan 0.000 0.471 29 I N 2.965 123.517 120.570 -0.029 0.000 2.353 29 I HA 0.302 4.472 4.170 -0.000 0.000 0.293 29 I C 0.107 176.186 176.117 -0.064 0.000 0.992 29 I CA -0.225 61.046 61.300 -0.048 0.000 1.268 29 I CB 1.505 39.479 38.000 -0.044 0.000 1.387 29 I HN 0.393 nan 8.210 nan 0.000 0.478 30 T N 5.464 119.964 114.554 -0.089 0.000 2.809 30 T HA 0.608 4.958 4.350 -0.000 0.000 0.284 30 T C -0.333 174.271 174.700 -0.159 0.000 0.992 30 T CA -0.524 61.507 62.100 -0.114 0.000 0.957 30 T CB 1.489 70.284 68.868 -0.121 0.000 0.942 30 T HN 0.666 nan 8.240 nan 0.000 0.439 31 A N 4.120 126.854 122.820 -0.144 0.000 2.303 31 A HA 0.806 5.126 4.320 -0.000 0.000 0.320 31 A C -0.403 177.078 177.584 -0.172 0.000 1.192 31 A CA -0.699 51.243 52.037 -0.158 0.000 0.821 31 A CB 0.386 19.329 19.000 -0.095 0.000 1.188 31 A HN 0.878 nan 8.150 nan 0.000 0.492 32 I N 3.307 123.730 120.570 -0.246 0.000 2.362 32 I HA 0.346 4.516 4.170 -0.000 0.000 0.289 32 I C -0.782 175.320 176.117 -0.025 0.000 0.994 32 I CA -0.731 60.469 61.300 -0.167 0.000 1.158 32 I CB 1.792 39.616 38.000 -0.293 0.000 1.315 32 I HN 0.300 nan 8.210 nan 0.000 0.451 33 V N 4.572 124.503 119.914 0.028 0.000 2.459 33 V HA 0.233 4.353 4.120 -0.000 0.000 0.295 33 V C 0.533 176.694 176.094 0.112 0.000 1.029 33 V CA -0.664 61.678 62.300 0.069 0.000 0.874 33 V CB 1.689 33.547 31.823 0.059 0.000 0.985 33 V HN 0.759 nan 8.190 nan 0.000 0.438 34 T N 3.442 118.063 114.554 0.112 0.000 2.934 34 T HA 0.133 4.483 4.350 -0.000 0.000 0.306 34 T C 0.504 175.268 174.700 0.107 0.000 1.042 34 T CA 0.458 62.621 62.100 0.105 0.000 1.145 34 T CB 0.541 69.457 68.868 0.081 0.000 0.982 34 T HN 0.972 nan 8.240 nan 0.000 0.544 35 V N 2.732 122.705 119.914 0.097 0.000 2.940 35 V HA 0.704 4.824 4.120 -0.000 0.000 0.366 35 V C 1.166 177.271 176.094 0.019 0.000 1.353 35 V CA 0.170 62.515 62.300 0.075 0.000 1.232 35 V CB -0.294 31.591 31.823 0.103 0.000 1.278 35 V HN 0.868 nan 8.190 nan 0.000 0.546 36 A N -0.723 122.106 122.820 0.014 0.000 2.303 36 A HA 0.330 4.650 4.320 -0.000 0.000 0.217 36 A C 0.622 178.186 177.584 -0.034 0.000 1.205 36 A CA 0.010 52.035 52.037 -0.020 0.000 0.875 36 A CB -0.135 18.851 19.000 -0.023 0.000 0.910 36 A HN 0.529 nan 8.150 nan 0.000 0.501 37 D N 1.251 121.643 120.400 -0.014 0.000 2.382 37 D HA 0.294 4.934 4.640 -0.000 0.000 0.240 37 D C 0.104 176.387 176.300 -0.030 0.000 1.146 37 D CA 0.720 54.710 54.000 -0.016 0.000 0.897 37 D CB 0.888 41.691 40.800 0.005 0.000 1.197 37 D HN 0.460 nan 8.370 nan 0.000 0.432 38 D N -0.802 119.578 120.400 -0.032 0.000 2.563 38 D HA 0.155 4.795 4.640 -0.000 0.000 0.256 38 D C 0.543 176.830 176.300 -0.023 0.000 1.400 38 D CA -0.534 53.446 54.000 -0.034 0.000 0.800 38 D CB -0.317 40.453 40.800 -0.051 0.000 1.145 38 D HN 0.306 nan 8.370 nan 0.000 0.501 39 G N -0.701 108.090 108.800 -0.015 0.000 2.488 39 G HA2 0.593 4.553 3.960 -0.000 0.000 0.318 39 G HA3 0.593 4.553 3.960 -0.000 0.000 0.318 39 G C 0.721 175.620 174.900 -0.001 0.000 1.188 39 G CA 0.079 45.173 45.100 -0.011 0.000 0.944 39 G HN 0.621 nan 8.290 nan 0.000 0.495 40 G N -0.367 108.429 108.800 -0.006 0.000 2.601 40 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.261 40 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.261 40 G C 1.514 176.424 174.900 0.016 0.000 1.289 40 G CA 0.914 46.012 45.100 -0.004 0.000 0.920 40 G HN 1.709 nan 8.290 nan 0.000 0.571 41 S N -0.901 114.824 115.700 0.041 0.000 2.353 41 S HA -0.161 4.309 4.470 -0.000 0.000 0.222 41 S C 2.670 177.373 174.600 0.171 0.000 1.035 41 S CA 2.548 60.849 58.200 0.169 0.000 1.025 41 S CB -0.669 62.681 63.200 0.251 0.000 0.902 41 S HN 1.518 nan 8.310 nan 0.000 0.440 42 S N 0.135 115.887 115.700 0.087 0.000 2.372 42 S HA -0.098 4.372 4.470 -0.000 0.000 0.227 42 S C 1.910 176.524 174.600 0.023 0.000 1.044 42 S CA 1.737 59.963 58.200 0.044 0.000 1.050 42 S CB -1.162 62.057 63.200 0.032 0.000 0.901 42 S HN 0.758 nan 8.310 nan 0.000 0.447 43 G N 1.521 110.335 108.800 0.023 0.000 2.404 43 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.215 43 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.215 43 G C 1.518 176.429 174.900 0.020 0.000 1.174 43 G CA 0.453 45.557 45.100 0.006 0.000 0.780 43 G HN 0.511 nan 8.290 nan 0.000 0.537 44 R N 0.044 120.580 120.500 0.061 0.000 2.081 44 R HA 0.051 4.391 4.340 -0.000 0.000 0.235 44 R C 2.591 178.935 176.300 0.074 0.000 1.131 44 R CA 0.899 57.050 56.100 0.085 0.000 0.960 44 R CB -0.683 29.703 30.300 0.143 0.000 0.856 44 R HN 0.334 nan 8.270 nan 0.000 0.436 45 L N 0.468 121.732 121.223 0.068 0.000 2.056 45 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 45 L C 2.929 179.770 176.870 -0.048 0.000 1.078 45 L CA 1.187 56.008 54.840 -0.032 0.000 0.749 45 L CB -0.493 41.510 42.059 -0.093 0.000 0.901 45 L HN 0.209 nan 8.230 nan 0.000 0.433 46 R N 1.074 121.546 120.500 -0.046 0.000 2.097 46 R HA -0.261 4.079 4.340 -0.000 0.000 0.236 46 R C 2.619 178.888 176.300 -0.052 0.000 1.135 46 R CA 2.644 58.702 56.100 -0.070 0.000 0.934 46 R CB -0.292 29.968 30.300 -0.066 0.000 0.846 46 R HN 0.225 nan 8.270 nan 0.000 0.431 47 K N 1.109 121.491 120.400 -0.030 0.000 2.002 47 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 47 K C 1.994 178.583 176.600 -0.019 0.000 1.048 47 K CA 1.971 58.245 56.287 -0.022 0.000 0.930 47 K CB -0.791 31.702 32.500 -0.012 0.000 0.714 47 K HN 0.634 nan 8.250 nan 0.000 0.438 48 E N -0.138 120.054 120.200 -0.013 0.000 2.158 48 E HA 0.112 4.462 4.350 -0.000 0.000 0.191 48 E C 1.818 178.404 176.600 -0.023 0.000 0.982 48 E CA 0.895 57.289 56.400 -0.011 0.000 0.823 48 E CB 0.102 29.805 29.700 0.005 0.000 0.766 48 E HN 0.462 nan 8.360 nan 0.000 0.468 49 L N 0.164 121.365 121.223 -0.037 0.000 2.640 49 L HA 0.139 4.479 4.340 -0.000 0.000 0.230 49 L C 0.011 176.854 176.870 -0.045 0.000 1.123 49 L CA -0.174 54.640 54.840 -0.043 0.000 0.900 49 L CB 0.106 42.130 42.059 -0.057 0.000 1.146 49 L HN 0.055 nan 8.230 nan 0.000 0.484 50 D N 1.769 122.140 120.400 -0.047 0.000 2.699 50 D HA -0.191 4.449 4.640 -0.000 0.000 0.239 50 D C -0.217 176.038 176.300 -0.075 0.000 1.136 50 D CA 0.667 54.637 54.000 -0.051 0.000 0.668 50 D CB -0.775 40.005 40.800 -0.033 0.000 1.060 50 D HN 0.531 nan 8.370 nan 0.000 0.429 51 I N -4.669 115.833 120.570 -0.113 0.000 3.067 51 I HA 0.811 4.981 4.170 -0.000 0.000 0.312 51 I C -2.384 173.568 176.117 -0.275 0.000 1.073 51 I CA -2.755 58.432 61.300 -0.189 0.000 1.016 51 I CB 1.970 39.852 38.000 -0.198 0.000 1.227 51 I HN -0.294 nan 8.210 nan 0.000 0.456 52 P HA 0.211 nan 4.420 nan 0.000 0.272 52 P C -2.578 174.420 177.300 -0.504 0.000 1.223 52 P CA -1.136 61.643 63.100 -0.535 0.000 0.784 52 P CB -0.242 30.942 31.700 -0.861 0.000 0.923 53 P HA 0.070 nan 4.420 nan 0.000 0.266 53 P C -2.042 175.230 177.300 -0.047 0.000 1.215 53 P CA -1.284 61.743 63.100 -0.123 0.000 0.763 53 P CB 0.128 31.798 31.700 -0.050 0.000 0.806 54 P HA -0.001 nan 4.420 nan 0.000 0.251 54 P C 1.528 178.929 177.300 0.168 0.000 1.223 54 P CA 0.606 63.825 63.100 0.199 0.000 0.796 54 P CB -0.058 31.735 31.700 0.154 0.000 1.068 55 G N 1.237 110.097 108.800 0.100 0.000 2.433 55 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 55 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 55 G C 1.232 176.188 174.900 0.093 0.000 1.186 55 G CA 0.828 45.977 45.100 0.082 0.000 0.779 55 G HN 0.136 nan 8.290 nan 0.000 0.543 56 D N 0.141 120.598 120.400 0.095 0.000 2.117 56 D HA -0.083 4.557 4.640 -0.000 0.000 0.197 56 D C 2.792 179.152 176.300 0.099 0.000 0.987 56 D CA 0.671 54.724 54.000 0.088 0.000 0.829 56 D CB -0.493 40.356 40.800 0.081 0.000 0.961 56 D HN 0.174 nan 8.370 nan 0.000 0.460 57 V N 1.193 121.186 119.914 0.131 0.000 2.332 57 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 57 V C 2.571 178.738 176.094 0.121 0.000 1.055 57 V CA 1.829 64.195 62.300 0.110 0.000 1.038 57 V CB -0.499 31.400 31.823 0.127 0.000 0.651 57 V HN 0.186 nan 8.190 nan 0.000 0.450 58 R N 0.382 120.979 120.500 0.161 0.000 2.083 58 R HA -0.201 4.138 4.340 -0.000 0.000 0.237 58 R C 2.192 178.617 176.300 0.209 0.000 1.137 58 R CA 2.111 58.349 56.100 0.229 0.000 0.951 58 R CB -0.384 30.007 30.300 0.151 0.000 0.851 58 R HN 0.505 nan 8.270 nan 0.000 0.434 59 N N 0.240 119.020 118.700 0.133 0.000 2.166 59 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 59 N C 1.826 177.381 175.510 0.074 0.000 1.019 59 N CA 1.376 54.487 53.050 0.102 0.000 0.856 59 N CB -0.148 38.383 38.487 0.075 0.000 0.993 59 N HN 0.093 nan 8.380 nan 0.000 0.426 60 V N 1.736 121.686 119.914 0.061 0.000 2.343 60 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 60 V C 2.430 178.531 176.094 0.012 0.000 1.051 60 V CA 1.120 63.437 62.300 0.028 0.000 1.036 60 V CB -0.429 31.404 31.823 0.017 0.000 0.654 60 V HN 0.225 nan 8.190 nan 0.000 0.451 61 L N -0.564 120.673 121.223 0.023 0.000 2.046 61 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 61 L C 2.438 179.267 176.870 -0.069 0.000 1.077 61 L CA 1.142 55.964 54.840 -0.030 0.000 0.747 61 L CB -0.556 41.490 42.059 -0.021 0.000 0.896 61 L HN 0.198 nan 8.230 nan 0.000 0.432 62 V N -0.094 119.816 119.914 -0.006 0.000 2.343 62 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 62 V C 2.729 178.815 176.094 -0.013 0.000 1.051 62 V CA 1.732 64.024 62.300 -0.014 0.000 1.036 62 V CB -0.934 30.942 31.823 0.088 0.000 0.654 62 V HN 0.486 nan 8.190 nan 0.000 0.451 63 A N -0.506 122.317 122.820 0.006 0.000 1.978 63 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 63 A C 2.128 179.706 177.584 -0.010 0.000 1.170 63 A CA 1.702 53.742 52.037 0.005 0.000 0.636 63 A CB -0.425 18.582 19.000 0.012 0.000 0.810 63 A HN 0.535 nan 8.150 nan 0.000 0.448 64 L N 0.346 121.553 121.223 -0.026 0.000 2.585 64 L HA 0.058 4.398 4.340 -0.000 0.000 0.226 64 L C 1.291 178.131 176.870 -0.050 0.000 1.113 64 L CA 0.218 55.038 54.840 -0.034 0.000 0.876 64 L CB -0.094 41.941 42.059 -0.040 0.000 1.072 64 L HN 0.467 nan 8.230 nan 0.000 0.468 65 S N 0.050 115.709 115.700 -0.070 0.000 2.584 65 S HA 0.126 4.596 4.470 -0.000 0.000 0.270 65 S C 0.218 174.780 174.600 -0.064 0.000 1.346 65 S CA -0.356 57.788 58.200 -0.094 0.000 1.018 65 S CB 0.957 64.071 63.200 -0.143 0.000 0.899 65 S HN 0.102 nan 8.310 nan 0.000 0.542 66 E N 1.143 121.304 120.200 -0.065 0.000 3.132 66 E HA 0.397 4.747 4.350 -0.000 0.000 0.241 66 E C -0.562 176.009 176.600 -0.049 0.000 1.196 66 E CA -0.462 55.910 56.400 -0.046 0.000 0.869 66 E CB 0.960 30.638 29.700 -0.037 0.000 1.387 66 E HN 0.658 nan 8.360 nan 0.000 0.393 67 V N -2.172 117.712 119.914 -0.050 0.000 3.141 67 V HA 0.551 4.671 4.120 -0.000 0.000 0.312 67 V C 0.221 176.298 176.094 -0.028 0.000 1.157 67 V CA -1.318 60.955 62.300 -0.044 0.000 1.041 67 V CB 2.001 33.786 31.823 -0.064 0.000 1.071 67 V HN 0.160 nan 8.190 nan 0.000 0.441 68 E N 2.080 122.268 120.200 -0.020 0.000 2.442 68 E HA 0.146 4.496 4.350 -0.000 0.000 0.262 68 E C -1.777 174.819 176.600 -0.005 0.000 1.004 68 E CA -0.752 55.642 56.400 -0.011 0.000 0.928 68 E CB 0.934 30.629 29.700 -0.007 0.000 0.937 68 E HN 0.618 nan 8.360 nan 0.000 0.446 69 P HA -0.216 nan 4.420 nan 0.000 0.217 69 P C 1.040 178.347 177.300 0.011 0.000 1.148 69 P CA 0.832 63.935 63.100 0.005 0.000 0.834 69 P CB 0.187 31.889 31.700 0.004 0.000 0.783 70 L N -1.166 120.062 121.223 0.008 0.000 2.056 70 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 70 L C 2.287 179.169 176.870 0.021 0.000 1.078 70 L CA 1.658 56.504 54.840 0.010 0.000 0.749 70 L CB -1.232 40.829 42.059 0.003 0.000 0.901 70 L HN -0.116 nan 8.230 nan 0.000 0.433 71 L N -1.084 120.151 121.223 0.021 0.000 2.141 71 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 71 L C 2.436 179.346 176.870 0.067 0.000 1.094 71 L CA 1.332 56.195 54.840 0.038 0.000 0.763 71 L CB -0.623 41.444 42.059 0.014 0.000 0.908 71 L HN 0.395 nan 8.230 nan 0.000 0.437 72 E N 0.322 120.547 120.200 0.042 0.000 2.106 72 E HA -0.236 4.114 4.350 -0.000 0.000 0.192 72 E C 2.184 178.847 176.600 0.106 0.000 0.984 72 E CA 1.007 57.443 56.400 0.061 0.000 0.806 72 E CB 0.119 29.834 29.700 0.024 0.000 0.750 72 E HN 0.528 nan 8.360 nan 0.000 0.458 73 Q N -0.010 119.834 119.800 0.073 0.000 2.172 73 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 73 Q C 2.227 178.279 176.000 0.087 0.000 0.964 73 Q CA 0.819 56.664 55.803 0.071 0.000 0.855 73 Q CB -0.019 28.744 28.738 0.042 0.000 0.918 73 Q HN 0.247 nan 8.270 nan 0.000 0.444 74 L N -0.261 121.011 121.223 0.082 0.000 2.046 74 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 74 L C 1.893 178.837 176.870 0.123 0.000 1.077 74 L CA 1.629 56.506 54.840 0.062 0.000 0.747 74 L CB -0.495 41.596 42.059 0.054 0.000 0.896 74 L HN 0.123 nan 8.230 nan 0.000 0.432 75 F N -0.422 119.540 119.950 0.019 0.000 2.216 75 F HA -0.178 4.349 4.527 -0.000 0.000 0.300 75 F C 2.240 178.061 175.800 0.035 0.000 1.085 75 F CA 1.284 59.301 58.000 0.029 0.000 1.326 75 F CB 0.009 39.022 39.000 0.020 0.000 1.027 75 F HN 0.226 nan 8.300 nan 0.000 0.497 76 Q N -1.018 118.873 119.800 0.151 0.000 2.360 76 Q HA -0.023 4.317 4.340 -0.000 0.000 0.202 76 Q C -0.074 175.931 176.000 0.008 0.000 0.915 76 Q CA 0.107 55.952 55.803 0.070 0.000 0.943 76 Q CB -0.830 27.959 28.738 0.084 0.000 1.064 76 Q HN 0.431 nan 8.270 nan 0.000 0.511 77 H N 1.237 120.242 119.070 -0.109 0.000 2.928 77 H HA 0.125 4.681 4.556 -0.000 0.000 0.338 77 H C -0.378 174.794 175.328 -0.260 0.000 1.047 77 H CA 0.631 56.557 56.048 -0.204 0.000 1.435 77 H CB 0.377 29.965 29.762 -0.290 0.000 1.428 77 H HN -0.143 nan 8.280 nan 0.000 0.590 78 R N 5.114 125.120 120.500 -0.823 0.000 2.439 78 R HA 0.230 4.570 4.340 -0.000 0.000 0.310 78 R C -1.023 174.846 176.300 -0.718 0.000 0.955 78 R CA -0.793 54.972 56.100 -0.558 0.000 0.853 78 R CB 0.513 30.660 30.300 -0.254 0.000 1.171 78 R HN 0.457 nan 8.270 nan 0.000 0.449 79 F N 2.617 122.399 119.950 -0.281 0.000 2.538 79 F HA 0.058 4.585 4.527 -0.000 0.000 0.371 79 F C 1.364 177.104 175.800 -0.100 0.000 1.087 79 F CA 0.432 58.356 58.000 -0.127 0.000 1.250 79 F CB 1.034 40.043 39.000 0.014 0.000 1.110 79 F HN 0.601 nan 8.300 nan 0.000 0.570 80 E N 0.916 121.175 120.200 0.097 0.000 2.460 80 E HA 0.124 4.474 4.350 -0.000 0.000 0.200 80 E C 0.640 177.278 176.600 0.063 0.000 1.011 80 E CA 0.246 56.672 56.400 0.043 0.000 0.912 80 E CB 0.218 29.925 29.700 0.012 0.000 0.953 80 E HN 0.741 nan 8.360 nan 0.000 0.494 81 N N 0.303 119.069 118.700 0.110 0.000 2.509 81 N HA 0.682 5.422 4.740 -0.000 0.000 0.280 81 N C 0.178 175.720 175.510 0.052 0.000 1.306 81 N CA -0.287 52.805 53.050 0.069 0.000 0.782 81 N CB 1.654 40.179 38.487 0.064 0.000 1.493 81 N HN 0.139 nan 8.380 nan 0.000 0.498 85 L N 2.101 123.308 121.223 -0.026 0.000 2.209 85 L HA 0.480 4.820 4.340 -0.000 0.000 0.207 85 L C 1.573 178.444 176.870 0.003 0.000 1.094 85 L CA 1.174 55.998 54.840 -0.028 0.000 0.790 85 L CB -0.014 41.920 42.059 -0.208 0.000 0.932 85 L HN 0.264 nan 8.230 nan 0.000 0.447 86 S N -0.712 114.974 115.700 -0.023 0.000 2.549 86 S HA 0.360 4.830 4.470 -0.000 0.000 0.286 86 S C 1.276 175.823 174.600 -0.087 0.000 1.314 86 S CA 0.585 58.784 58.200 -0.002 0.000 1.062 86 S CB 0.146 63.339 63.200 -0.013 0.000 0.865 86 S HN 0.753 nan 8.310 nan 0.000 0.498 87 G N 3.844 112.620 108.800 -0.040 0.000 2.258 87 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.233 87 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.233 87 G C 0.095 174.961 174.900 -0.056 0.000 1.006 87 G CA 0.102 45.144 45.100 -0.097 0.000 0.620 87 G HN 0.782 nan 8.290 nan 0.000 0.511 88 H N 1.082 120.203 119.070 0.086 0.000 2.652 88 H HA 0.578 5.134 4.556 -0.000 0.000 0.349 88 H C 0.502 175.904 175.328 0.123 0.000 1.099 88 H CA 0.653 56.760 56.048 0.098 0.000 1.417 88 H CB 1.505 31.328 29.762 0.102 0.000 1.457 88 H HN 0.273 nan 8.280 nan 0.000 0.568 89 S N 2.594 118.412 115.700 0.196 0.000 2.499 89 S HA 0.065 4.535 4.470 -0.000 0.000 0.279 89 S C 1.352 175.982 174.600 0.049 0.000 1.219 89 S CA -0.832 57.397 58.200 0.048 0.000 1.062 89 S CB 0.477 63.675 63.200 -0.003 0.000 0.978 89 S HN 0.499 nan 8.310 nan 0.000 0.489 90 L N 6.391 127.624 121.223 0.016 0.000 2.083 90 L HA 0.153 4.493 4.340 -0.000 0.000 0.209 90 L C 2.266 179.019 176.870 -0.196 0.000 1.083 90 L CA 2.551 57.419 54.840 0.046 0.000 0.752 90 L CB -1.246 40.841 42.059 0.047 0.000 0.899 90 L HN 0.899 nan 8.230 nan 0.000 0.433 91 G N -0.929 107.607 108.800 -0.439 0.000 2.422 91 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.218 91 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.218 91 G C 1.425 176.042 174.900 -0.470 0.000 1.146 91 G CA 0.864 45.378 45.100 -0.977 0.000 0.769 91 G HN 0.451 nan 8.290 nan 0.000 0.547 92 N N 0.590 119.166 118.700 -0.207 0.000 2.069 92 N HA -0.059 4.681 4.740 -0.000 0.000 0.191 92 N C 2.246 177.707 175.510 -0.081 0.000 1.031 92 N CA 0.816 53.818 53.050 -0.081 0.000 0.852 92 N CB -0.448 38.020 38.487 -0.031 0.000 1.018 92 N HN 0.327 nan 8.380 nan 0.000 0.423 93 L N 0.124 121.291 121.223 -0.093 0.000 2.093 93 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 93 L C 2.163 179.005 176.870 -0.045 0.000 1.085 93 L CA 0.592 55.387 54.840 -0.076 0.000 0.755 93 L CB -0.431 41.605 42.059 -0.038 0.000 0.904 93 L HN 0.129 nan 8.230 nan 0.000 0.435 94 L N -0.415 120.766 121.223 -0.069 0.000 2.017 94 L HA -0.248 4.092 4.340 -0.000 0.000 0.208 94 L C 2.524 179.419 176.870 0.042 0.000 1.073 94 L CA 1.401 56.231 54.840 -0.015 0.000 0.745 94 L CB -0.366 41.666 42.059 -0.045 0.000 0.894 94 L HN 0.220 nan 8.230 nan 0.000 0.432 95 L N -0.906 120.346 121.223 0.048 0.000 2.046 95 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 95 L C 2.830 179.777 176.870 0.130 0.000 1.077 95 L CA 1.119 56.039 54.840 0.134 0.000 0.747 95 L CB -0.758 41.421 42.059 0.200 0.000 0.896 95 L HN 0.251 nan 8.230 nan 0.000 0.432 96 A N 0.259 123.115 122.820 0.061 0.000 1.883 96 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 96 A C 1.673 179.275 177.584 0.029 0.000 1.186 96 A CA 1.473 53.524 52.037 0.024 0.000 0.624 96 A CB -1.363 17.613 19.000 -0.041 0.000 0.822 96 A HN 0.394 nan 8.150 nan 0.000 0.444 100 S N 1.199 116.928 115.700 0.049 0.000 2.368 100 S HA 0.032 4.502 4.470 -0.000 0.000 0.225 100 S C 1.943 176.560 174.600 0.029 0.000 1.030 100 S CA 1.288 59.505 58.200 0.028 0.000 0.999 100 S CB -0.447 62.761 63.200 0.014 0.000 0.844 100 S HN 0.478 nan 8.310 nan 0.000 0.459 101 I N 1.434 122.023 120.570 0.032 0.000 2.142 101 I HA -0.149 4.021 4.170 -0.000 0.000 0.240 101 I C 2.693 178.828 176.117 0.030 0.000 1.078 101 I CA 1.759 63.076 61.300 0.028 0.000 1.343 101 I CB -0.668 37.349 38.000 0.028 0.000 1.046 101 I HN 0.514 nan 8.210 nan 0.000 0.405 102 T N -1.900 112.677 114.554 0.038 0.000 3.088 102 T HA 0.156 4.506 4.350 -0.000 0.000 0.259 102 T C 1.614 176.338 174.700 0.041 0.000 1.122 102 T CA 0.460 62.583 62.100 0.037 0.000 1.095 102 T CB 0.010 68.902 68.868 0.041 0.000 0.930 102 T HN 0.546 nan 8.240 nan 0.000 0.508 103 G N 1.520 110.346 108.800 0.045 0.000 2.233 103 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.270 103 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.270 103 G C -0.224 174.712 174.900 0.060 0.000 1.011 103 G CA 0.384 45.511 45.100 0.044 0.000 0.762 103 G HN 0.859 nan 8.290 nan 0.000 0.511 104 D N -1.874 118.576 120.400 0.084 0.000 2.452 104 D HA 0.339 4.979 4.640 -0.000 0.000 0.226 104 D C 0.593 176.990 176.300 0.162 0.000 1.366 104 D CA -0.794 53.269 54.000 0.104 0.000 0.986 104 D CB 0.024 40.863 40.800 0.065 0.000 1.420 104 D HN -0.082 nan 8.370 nan 0.000 0.583 105 F N 3.962 123.921 119.950 0.015 0.000 2.095 105 F HA -0.027 4.500 4.527 -0.000 0.000 0.298 105 F C 1.969 177.781 175.800 0.020 0.000 1.104 105 F CA 2.044 60.055 58.000 0.018 0.000 1.232 105 F CB -0.401 38.610 39.000 0.018 0.000 0.987 105 F HN 0.475 nan 8.300 nan 0.000 0.475 106 A N 0.406 123.217 122.820 -0.015 0.000 1.933 106 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 106 A C 2.441 179.968 177.584 -0.095 0.000 1.175 106 A CA 2.532 54.494 52.037 -0.125 0.000 0.628 106 A CB -1.329 17.650 19.000 -0.036 0.000 0.814 106 A HN 0.427 nan 8.150 nan 0.000 0.444 107 R N -0.759 119.724 120.500 -0.028 0.000 2.092 107 R HA 0.069 4.409 4.340 -0.000 0.000 0.231 107 R C 2.519 178.804 176.300 -0.025 0.000 1.119 107 R CA 1.845 57.934 56.100 -0.018 0.000 0.970 107 R CB -2.021 28.284 30.300 0.007 0.000 0.864 107 R HN 0.692 nan 8.270 nan 0.000 0.440 108 G N 1.002 109.794 108.800 -0.013 0.000 2.418 108 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 108 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.217 108 G C 1.714 176.583 174.900 -0.053 0.000 1.158 108 G CA 1.052 46.153 45.100 0.001 0.000 0.771 108 G HN 0.507 nan 8.290 nan 0.000 0.545 109 I N 0.932 121.398 120.570 -0.174 0.000 2.226 109 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 109 I C 3.042 179.092 176.117 -0.112 0.000 1.100 109 I CA 1.401 62.581 61.300 -0.199 0.000 1.374 109 I CB -0.170 37.609 38.000 -0.368 0.000 1.057 109 I HN 0.306 nan 8.210 nan 0.000 0.413 110 S N 0.161 115.803 115.700 -0.096 0.000 2.368 110 S HA -0.105 4.365 4.470 -0.000 0.000 0.225 110 S C 1.197 175.771 174.600 -0.044 0.000 1.030 110 S CA 0.825 58.986 58.200 -0.065 0.000 0.999 110 S CB -0.198 62.970 63.200 -0.053 0.000 0.844 110 S HN 0.235 nan 8.310 nan 0.000 0.459 114 K N 1.597 121.964 120.400 -0.055 0.000 2.002 114 K HA 0.015 4.335 4.320 -0.000 0.000 0.209 114 K C 1.822 178.392 176.600 -0.051 0.000 1.048 114 K CA 1.656 57.916 56.287 -0.045 0.000 0.930 114 K CB -0.463 32.019 32.500 -0.030 0.000 0.714 114 K HN 0.191 nan 8.250 nan 0.000 0.438 115 V N 1.795 121.679 119.914 -0.051 0.000 2.469 115 V HA -0.194 3.926 4.120 -0.000 0.000 0.251 115 V C 1.965 178.004 176.094 -0.093 0.000 1.064 115 V CA 1.484 63.752 62.300 -0.052 0.000 1.066 115 V CB -0.251 31.557 31.823 -0.025 0.000 0.667 115 V HN 0.281 nan 8.190 nan 0.000 0.461 116 L N 0.243 121.381 121.223 -0.142 0.000 2.629 116 L HA 0.221 4.561 4.340 -0.000 0.000 0.230 116 L C 0.618 177.412 176.870 -0.127 0.000 1.151 116 L CA -0.016 54.710 54.840 -0.190 0.000 0.924 116 L CB -0.366 41.498 42.059 -0.324 0.000 1.137 116 L HN 0.421 nan 8.230 nan 0.000 0.457 117 N N 0.090 118.737 118.700 -0.089 0.000 2.714 117 N HA -0.158 4.582 4.740 -0.000 0.000 0.252 117 N C -0.242 175.229 175.510 -0.066 0.000 1.014 117 N CA 0.381 53.391 53.050 -0.065 0.000 0.735 117 N CB -1.532 36.922 38.487 -0.054 0.000 0.924 117 N HN 0.027 nan 8.380 nan 0.000 0.540 118 V N 0.911 120.780 119.914 -0.074 0.000 2.508 118 V HA 0.078 4.198 4.120 -0.000 0.000 0.281 118 V C 1.176 177.240 176.094 -0.050 0.000 1.041 118 V CA -0.261 61.998 62.300 -0.068 0.000 1.016 118 V CB 0.745 32.521 31.823 -0.078 0.000 0.984 118 V HN 0.326 nan 8.190 nan 0.000 0.478 119 R N 4.205 124.682 120.500 -0.040 0.000 2.255 119 R HA 0.809 5.149 4.340 -0.000 0.000 0.326 119 R C -0.033 176.248 176.300 -0.032 0.000 0.986 119 R CA -0.034 56.047 56.100 -0.032 0.000 0.847 119 R CB 1.541 31.827 30.300 -0.023 0.000 1.111 119 R HN 0.965 nan 8.270 nan 0.000 0.452 120 G N 1.572 110.351 108.800 -0.036 0.000 2.326 120 G HA2 0.011 3.971 3.960 -0.000 0.000 0.413 120 G HA3 0.011 3.971 3.960 -0.000 0.000 0.413 120 G C -1.762 173.109 174.900 -0.049 0.000 1.444 120 G CA -1.111 43.965 45.100 -0.041 0.000 1.002 120 G HN 0.592 nan 8.290 nan 0.000 0.649 121 K N 0.117 120.484 120.400 -0.056 0.000 2.265 121 K HA 0.661 4.981 4.320 -0.000 0.000 0.267 121 K C -0.368 176.187 176.600 -0.076 0.000 0.994 121 K CA -0.657 55.593 56.287 -0.062 0.000 0.860 121 K CB 1.636 34.102 32.500 -0.058 0.000 1.099 121 K HN 0.435 nan 8.250 nan 0.000 0.448 122 V N 6.433 126.299 119.914 -0.080 0.000 2.370 122 V HA 0.401 4.521 4.120 -0.000 0.000 0.283 122 V C -0.336 175.695 176.094 -0.104 0.000 1.023 122 V CA -0.750 61.496 62.300 -0.089 0.000 0.857 122 V CB 1.017 32.790 31.823 -0.083 0.000 0.985 122 V HN 0.680 nan 8.190 nan 0.000 0.443 123 L N 7.444 128.609 121.223 -0.097 0.000 2.365 123 L HA 0.593 4.933 4.340 -0.000 0.000 0.273 123 L C -2.412 174.424 176.870 -0.057 0.000 1.000 123 L CA -1.884 52.904 54.840 -0.086 0.000 0.819 123 L CB 3.187 45.206 42.059 -0.066 0.000 1.284 123 L HN 0.408 nan 8.230 nan 0.000 0.418 124 P HA 0.104 nan 4.420 nan 0.000 0.278 124 P C 0.105 177.465 177.300 0.099 0.000 1.238 124 P CA -0.355 62.791 63.100 0.076 0.000 0.794 124 P CB 1.523 33.339 31.700 0.193 0.000 0.955 125 A N 2.148 125.045 122.820 0.128 0.000 1.978 125 A HA -0.043 4.277 4.320 -0.000 0.000 0.220 125 A C 1.224 178.881 177.584 0.122 0.000 1.170 125 A CA 1.696 53.814 52.037 0.135 0.000 0.636 125 A CB -0.584 18.501 19.000 0.142 0.000 0.810 125 A HN 0.653 nan 8.150 nan 0.000 0.448 126 S N -3.109 112.670 115.700 0.131 0.000 2.570 126 S HA 0.409 4.879 4.470 -0.000 0.000 0.270 126 S C -0.142 174.554 174.600 0.159 0.000 1.149 126 S CA -0.583 57.688 58.200 0.118 0.000 0.837 126 S CB 1.185 64.441 63.200 0.092 0.000 1.124 126 S HN 0.166 nan 8.310 nan 0.000 0.465 127 N N 1.219 120.001 118.700 0.136 0.000 2.461 127 N HA 0.226 4.966 4.740 -0.000 0.000 0.188 127 N C -0.028 175.552 175.510 0.117 0.000 1.134 127 N CA 0.455 53.607 53.050 0.170 0.000 0.878 127 N CB -0.048 38.515 38.487 0.126 0.000 0.972 127 N HN 0.434 nan 8.380 nan 0.000 0.456 128 R N -0.650 119.892 120.500 0.070 0.000 2.854 128 R HA 0.391 4.731 4.340 -0.000 0.000 0.271 128 R C -0.308 175.989 176.300 -0.005 0.000 0.994 128 R CA -0.719 55.391 56.100 0.016 0.000 0.945 128 R CB 1.559 31.872 30.300 0.022 0.000 1.194 128 R HN -0.025 nan 8.270 nan 0.000 0.476 129 S N 1.449 117.119 115.700 -0.049 0.000 2.558 129 S HA 0.070 4.540 4.470 -0.000 0.000 0.291 129 S C 0.439 175.031 174.600 -0.013 0.000 1.306 129 S CA 0.167 58.336 58.200 -0.051 0.000 1.056 129 S CB 0.140 63.302 63.200 -0.064 0.000 0.836 129 S HN 0.302 nan 8.310 nan 0.000 0.504 130 I N 2.254 122.817 120.570 -0.012 0.000 2.493 130 I HA 0.446 4.616 4.170 -0.000 0.000 0.298 130 I C -0.474 175.617 176.117 -0.043 0.000 0.998 130 I CA -0.671 60.628 61.300 -0.001 0.000 1.137 130 I CB 1.486 39.496 38.000 0.016 0.000 1.310 130 I HN 0.466 nan 8.210 nan 0.000 0.445 131 I N 5.901 126.436 120.570 -0.059 0.000 2.354 131 I HA 0.271 4.441 4.170 -0.000 0.000 0.292 131 I C -0.658 175.248 176.117 -0.352 0.000 0.989 131 I CA -0.670 60.513 61.300 -0.196 0.000 1.188 131 I CB 1.733 39.630 38.000 -0.171 0.000 1.342 131 I HN 0.296 nan 8.210 nan 0.000 0.457 132 L N 7.550 128.526 121.223 -0.412 0.000 2.289 132 L HA 0.466 4.806 4.340 -0.000 0.000 0.285 132 L C -0.721 175.751 176.870 -0.663 0.000 1.049 132 L CA 0.192 54.794 54.840 -0.396 0.000 0.804 132 L CB 0.385 42.322 42.059 -0.203 0.000 1.195 132 L HN 0.460 nan 8.230 nan 0.000 0.428 133 H N 3.394 122.190 119.070 -0.456 0.000 2.572 133 H HA 0.628 5.184 4.556 -0.000 0.000 0.359 133 H C -0.461 174.542 175.328 -0.540 0.000 1.134 133 H CA -0.693 55.001 56.048 -0.590 0.000 1.187 133 H CB 2.026 31.158 29.762 -1.050 0.000 1.597 133 H HN 0.807 nan 8.280 nan 0.000 0.524 134 G N 1.419 110.106 108.800 -0.188 0.000 2.478 134 G HA2 0.282 4.242 3.960 -0.000 0.000 0.317 134 G HA3 0.282 4.242 3.960 -0.000 0.000 0.317 134 G C -0.299 174.603 174.900 0.003 0.000 1.259 134 G CA -0.474 44.560 45.100 -0.110 0.000 0.933 134 G HN 0.607 nan 8.290 nan 0.000 0.478 138 D N 1.293 121.698 120.400 0.009 0.000 2.392 138 D HA 0.026 4.666 4.640 -0.000 0.000 0.228 138 D C 1.424 177.730 176.300 0.009 0.000 1.003 138 D CA 1.592 55.596 54.000 0.008 0.000 0.917 138 D CB -0.022 40.782 40.800 0.007 0.000 0.890 138 D HN 0.423 nan 8.370 nan 0.000 0.532 139 G N -0.321 108.487 108.800 0.013 0.000 2.217 139 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.246 139 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.246 139 G C 0.549 175.465 174.900 0.027 0.000 0.990 139 G CA 0.503 45.613 45.100 0.017 0.000 0.627 139 G HN 0.810 nan 8.290 nan 0.000 0.522 140 T N -0.520 114.049 114.554 0.025 0.000 2.860 140 T HA 0.632 4.982 4.350 -0.000 0.000 0.299 140 T C 0.414 175.144 174.700 0.049 0.000 1.045 140 T CA -0.145 61.974 62.100 0.031 0.000 1.071 140 T CB 2.042 70.922 68.868 0.021 0.000 0.985 140 T HN 0.497 nan 8.240 nan 0.000 0.537 141 I N 1.477 122.083 120.570 0.060 0.000 2.404 141 I HA 0.436 4.606 4.170 -0.000 0.000 0.293 141 I C -0.639 175.510 176.117 0.053 0.000 0.992 141 I CA -1.201 60.149 61.300 0.083 0.000 1.149 141 I CB 2.055 40.137 38.000 0.137 0.000 1.315 141 I HN 0.444 nan 8.210 nan 0.000 0.446 142 V N 4.800 124.731 119.914 0.029 0.000 2.459 142 V HA 0.440 4.560 4.120 -0.000 0.000 0.295 142 V C -0.012 176.083 176.094 0.002 0.000 1.029 142 V CA -0.467 61.838 62.300 0.009 0.000 0.874 142 V CB 1.847 33.659 31.823 -0.019 0.000 0.985 142 V HN 0.691 nan 8.190 nan 0.000 0.438 143 T N 3.043 117.605 114.554 0.014 0.000 2.824 143 T HA 0.745 5.095 4.350 -0.000 0.000 0.280 143 T C 0.127 174.760 174.700 -0.112 0.000 0.995 143 T CA 0.200 62.285 62.100 -0.024 0.000 1.009 143 T CB 1.322 70.258 68.868 0.113 0.000 0.955 143 T HN 1.500 nan 8.240 nan 0.000 0.452 144 G N 2.480 111.148 108.800 -0.221 0.000 3.367 144 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.686 144 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.686 144 G C 0.436 175.257 174.900 -0.132 0.000 1.146 144 G CA -0.139 44.862 45.100 -0.165 0.000 0.913 144 G HN 0.640 nan 8.290 nan 0.000 0.554 145 E N 1.467 121.592 120.200 -0.124 0.000 2.086 145 E HA -0.252 4.098 4.350 -0.000 0.000 0.200 145 E C 2.482 179.049 176.600 -0.055 0.000 1.012 145 E CA 2.653 59.003 56.400 -0.084 0.000 0.812 145 E CB -0.259 29.403 29.700 -0.063 0.000 0.743 145 E HN 1.090 nan 8.360 nan 0.000 0.453 146 S N -0.809 114.862 115.700 -0.048 0.000 2.489 146 S HA 0.061 4.531 4.470 -0.000 0.000 0.228 146 S C 2.048 176.628 174.600 -0.033 0.000 0.995 146 S CA 0.813 58.993 58.200 -0.033 0.000 0.934 146 S CB 0.171 63.355 63.200 -0.027 0.000 0.771 146 S HN 0.108 nan 8.310 nan 0.000 0.522 147 S N 1.571 117.245 115.700 -0.043 0.000 2.446 147 S HA 0.272 4.742 4.470 -0.000 0.000 0.225 147 S C 1.602 176.179 174.600 -0.039 0.000 1.016 147 S CA 0.464 58.641 58.200 -0.038 0.000 0.943 147 S CB -0.382 62.795 63.200 -0.039 0.000 0.786 147 S HN 0.492 nan 8.310 nan 0.000 0.508 148 I N 2.104 122.643 120.570 -0.051 0.000 2.163 148 I HA -0.138 4.032 4.170 -0.000 0.000 0.243 148 I C -1.023 175.068 176.117 -0.044 0.000 1.085 148 I CA 1.221 62.487 61.300 -0.057 0.000 1.347 148 I CB -1.246 36.708 38.000 -0.077 0.000 1.044 148 I HN 0.192 nan 8.210 nan 0.000 0.408 149 P HA -0.116 nan 4.420 nan 0.000 0.226 149 P C 0.970 178.260 177.300 -0.016 0.000 1.153 149 P CA 1.240 64.328 63.100 -0.020 0.000 0.777 149 P CB -0.043 31.652 31.700 -0.009 0.000 0.794 150 K N -0.573 119.816 120.400 -0.018 0.000 2.487 150 K HA 0.199 4.519 4.320 -0.000 0.000 0.192 150 K C 1.817 178.409 176.600 -0.012 0.000 1.027 150 K CA 0.406 56.684 56.287 -0.014 0.000 1.054 150 K CB -0.184 32.307 32.500 -0.014 0.000 0.824 150 K HN 0.023 nan 8.250 nan 0.000 0.510 151 A N 1.153 123.963 122.820 -0.016 0.000 2.121 151 A HA 0.018 4.338 4.320 -0.000 0.000 0.218 151 A C 1.635 179.215 177.584 -0.008 0.000 1.154 151 A CA 1.004 53.033 52.037 -0.013 0.000 0.679 151 A CB -0.747 18.241 19.000 -0.019 0.000 0.795 151 A HN 0.401 nan 8.150 nan 0.000 0.458 152 G N -0.685 108.111 108.800 -0.006 0.000 2.321 152 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.287 152 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.287 152 G C 0.157 175.058 174.900 0.003 0.000 1.018 152 G CA 1.173 46.273 45.100 0.001 0.000 0.855 152 G HN 0.670 nan 8.290 nan 0.000 0.507 153 K N -1.101 119.298 120.400 -0.002 0.000 2.378 153 K HA 0.580 4.900 4.320 -0.000 0.000 0.244 153 K C -0.120 176.480 176.600 0.000 0.000 1.039 153 K CA -1.070 55.218 56.287 0.002 0.000 0.863 153 K CB 1.809 34.307 32.500 -0.002 0.000 1.326 153 K HN 0.090 nan 8.250 nan 0.000 0.460 154 K N 1.969 122.374 120.400 0.010 0.000 2.201 154 K HA 0.287 4.607 4.320 -0.000 0.000 0.278 154 K C -0.520 176.072 176.600 -0.013 0.000 1.027 154 K CA -0.407 55.893 56.287 0.021 0.000 0.909 154 K CB 0.542 33.075 32.500 0.056 0.000 1.062 154 K HN 0.461 nan 8.250 nan 0.000 0.465 155 I N 4.769 125.297 120.570 -0.070 0.000 2.618 155 I HA -0.056 4.114 4.170 -0.000 0.000 0.284 155 I C 1.168 177.236 176.117 -0.081 0.000 1.146 155 I CA 0.030 61.220 61.300 -0.183 0.000 1.425 155 I CB 0.961 38.616 38.000 -0.575 0.000 1.383 155 I HN 0.735 nan 8.210 nan 0.000 0.562 156 K N 6.818 127.194 120.400 -0.040 0.000 2.141 156 K HA 0.119 4.439 4.320 -0.000 0.000 0.202 156 K C 0.149 176.788 176.600 0.064 0.000 1.045 156 K CA 0.833 57.134 56.287 0.024 0.000 0.971 156 K CB 0.394 32.906 32.500 0.021 0.000 0.795 156 K HN 0.750 nan 8.250 nan 0.000 0.459 157 R N -1.643 118.899 120.500 0.070 0.000 2.741 157 R HA 0.487 4.827 4.340 -0.000 0.000 0.276 157 R C -1.407 175.049 176.300 0.259 0.000 1.028 157 R CA -0.774 55.488 56.100 0.271 0.000 0.865 157 R CB 1.104 31.474 30.300 0.117 0.000 1.268 157 R HN -0.094 nan 8.270 nan 0.000 0.475 158 V N -1.273 118.914 119.914 0.455 0.000 2.960 158 V HA 0.957 5.077 4.120 -0.000 0.000 0.315 158 V C -0.743 175.574 176.094 0.371 0.000 1.087 158 V CA -0.778 61.652 62.300 0.216 0.000 0.982 158 V CB 1.395 33.265 31.823 0.078 0.000 1.039 158 V HN 0.880 nan 8.190 nan 0.000 0.437 159 F N 0.408 120.458 119.950 0.167 0.000 2.745 159 F HA 0.879 5.406 4.527 -0.000 0.000 0.316 159 F C -1.606 174.306 175.800 0.187 0.000 1.155 159 F CA -1.463 56.631 58.000 0.156 0.000 0.937 159 F CB 1.485 40.553 39.000 0.114 0.000 1.361 159 F HN 0.536 nan 8.300 nan 0.000 0.472 160 L N 1.539 122.965 121.223 0.339 0.000 2.342 160 L HA 0.834 5.174 4.340 -0.000 0.000 0.271 160 L C -0.388 176.681 176.870 0.332 0.000 1.008 160 L CA -0.774 54.202 54.840 0.228 0.000 0.818 160 L CB 2.414 44.561 42.059 0.147 0.000 1.296 160 L HN 0.992 nan 8.230 nan 0.000 0.427 161 T N -0.742 113.991 114.554 0.299 0.000 2.906 161 T HA 0.620 4.970 4.350 -0.000 0.000 0.295 161 T C -2.878 171.914 174.700 0.152 0.000 1.075 161 T CA -2.381 59.867 62.100 0.247 0.000 1.005 161 T CB 2.046 71.098 68.868 0.306 0.000 1.136 161 T HN 0.154 nan 8.240 nan 0.000 0.498 162 P HA 0.155 nan 4.420 nan 0.000 0.267 162 P C 0.677 178.034 177.300 0.096 0.000 1.200 162 P CA -0.488 62.669 63.100 0.095 0.000 0.772 162 P CB 0.605 32.344 31.700 0.065 0.000 0.855 163 K N 1.232 121.682 120.400 0.083 0.000 2.147 163 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 163 K C 0.362 176.997 176.600 0.058 0.000 1.049 163 K CA 1.583 57.914 56.287 0.073 0.000 0.936 163 K CB -0.417 32.112 32.500 0.047 0.000 0.722 163 K HN 0.186 nan 8.250 nan 0.000 0.446 164 D N 1.557 121.987 120.400 0.050 0.000 2.352 164 D HA 0.029 4.669 4.640 -0.000 0.000 0.236 164 D C -0.494 175.834 176.300 0.047 0.000 1.148 164 D CA 0.298 54.324 54.000 0.043 0.000 0.844 164 D CB 0.054 40.875 40.800 0.035 0.000 0.933 164 D HN 0.158 nan 8.370 nan 0.000 0.507 165 T N 1.951 116.540 114.554 0.057 0.000 2.908 165 T HA 0.017 4.367 4.350 -0.000 0.000 0.301 165 T C 0.558 175.292 174.700 0.057 0.000 1.019 165 T CA 0.244 62.380 62.100 0.059 0.000 1.152 165 T CB 0.803 69.712 68.868 0.068 0.000 0.966 165 T HN -0.170 nan 8.240 nan 0.000 0.540 166 K N 4.637 125.070 120.400 0.056 0.000 2.270 166 K HA 0.467 4.787 4.320 -0.000 0.000 0.255 166 K C -2.359 174.279 176.600 0.064 0.000 0.936 166 K CA -2.340 53.980 56.287 0.055 0.000 0.809 166 K CB 1.899 34.428 32.500 0.048 0.000 1.131 166 K HN 0.331 nan 8.250 nan 0.000 0.427 167 P HA 0.274 nan 4.420 nan 0.000 0.278 167 P C -0.357 176.980 177.300 0.062 0.000 1.266 167 P CA -0.728 62.417 63.100 0.075 0.000 0.807 167 P CB 0.718 32.468 31.700 0.084 0.000 1.094 168 L N 0.656 121.915 121.223 0.059 0.000 2.397 168 L HA 0.145 4.485 4.340 -0.000 0.000 0.271 168 L C 2.486 179.378 176.870 0.036 0.000 1.148 168 L CA 0.316 55.181 54.840 0.043 0.000 0.825 168 L CB 0.130 42.209 42.059 0.032 0.000 1.117 168 L HN 0.282 nan 8.230 nan 0.000 0.456 169 R N 0.889 121.406 120.500 0.029 0.000 2.103 169 R HA -0.164 4.176 4.340 -0.000 0.000 0.242 169 R C 2.032 178.343 176.300 0.018 0.000 1.142 169 R CA 1.927 58.042 56.100 0.024 0.000 0.960 169 R CB -0.526 29.785 30.300 0.019 0.000 0.858 169 R HN 0.797 nan 8.270 nan 0.000 0.439 170 E N -1.317 118.890 120.200 0.011 0.000 2.153 170 E HA -0.041 4.309 4.350 -0.000 0.000 0.194 170 E C 2.208 178.807 176.600 -0.002 0.000 0.988 170 E CA 0.882 57.282 56.400 0.000 0.000 0.811 170 E CB -1.102 28.592 29.700 -0.010 0.000 0.746 170 E HN 0.844 nan 8.360 nan 0.000 0.466 171 G N 0.606 109.410 108.800 0.007 0.000 2.421 171 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 171 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 171 G C 1.593 176.513 174.900 0.034 0.000 1.171 171 G CA 0.884 45.990 45.100 0.011 0.000 0.775 171 G HN 0.399 nan 8.290 nan 0.000 0.543 172 L N 0.101 121.351 121.223 0.046 0.000 2.046 172 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 172 L C 2.895 179.787 176.870 0.036 0.000 1.077 172 L CA 1.288 56.160 54.840 0.052 0.000 0.747 172 L CB -0.451 41.636 42.059 0.047 0.000 0.896 172 L HN 0.279 nan 8.230 nan 0.000 0.432 173 E N 0.216 120.429 120.200 0.022 0.000 2.085 173 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 173 E C 2.320 178.926 176.600 0.009 0.000 0.994 173 E CA 1.213 57.621 56.400 0.014 0.000 0.801 173 E CB -0.227 29.478 29.700 0.007 0.000 0.743 173 E HN 0.504 nan 8.360 nan 0.000 0.453 174 A N 1.049 123.869 122.820 -0.001 0.000 1.940 174 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 174 A C 2.169 179.752 177.584 -0.002 0.000 1.176 174 A CA 1.253 53.280 52.037 -0.016 0.000 0.631 174 A CB -0.607 18.365 19.000 -0.047 0.000 0.814 174 A HN 0.166 nan 8.150 nan 0.000 0.446 175 I N -1.468 119.118 120.570 0.027 0.000 2.286 175 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 175 I C 2.692 178.836 176.117 0.046 0.000 1.104 175 I CA 1.342 62.679 61.300 0.062 0.000 1.397 175 I CB -0.350 37.723 38.000 0.121 0.000 1.072 175 I HN 0.325 nan 8.210 nan 0.000 0.417 176 R N 1.655 122.177 120.500 0.035 0.000 2.073 176 R HA -0.168 4.172 4.340 -0.000 0.000 0.234 176 R C 2.006 178.317 176.300 0.019 0.000 1.134 176 R CA 1.540 57.657 56.100 0.027 0.000 0.952 176 R CB -0.006 30.308 30.300 0.022 0.000 0.850 176 R HN 0.285 nan 8.270 nan 0.000 0.433 177 K N -0.084 120.324 120.400 0.013 0.000 2.486 177 K HA 0.095 4.415 4.320 -0.000 0.000 0.194 177 K C 0.324 176.927 176.600 0.005 0.000 1.033 177 K CA 0.243 56.534 56.287 0.007 0.000 1.004 177 K CB 0.357 32.857 32.500 0.001 0.000 0.798 177 K HN 0.137 nan 8.250 nan 0.000 0.495 178 A N 1.736 124.562 122.820 0.009 0.000 2.440 178 A HA 0.006 4.326 4.320 -0.000 0.000 0.251 178 A C 0.268 177.858 177.584 0.010 0.000 1.089 178 A CA -0.261 51.780 52.037 0.006 0.000 0.779 178 A CB 0.295 19.304 19.000 0.014 0.000 1.022 178 A HN 0.088 nan 8.150 nan 0.000 0.492 179 D N 0.751 121.153 120.400 0.004 0.000 2.216 179 D HA 0.091 4.731 4.640 -0.000 0.000 0.208 179 D C 0.183 176.486 176.300 0.006 0.000 0.960 179 D CA 1.298 55.302 54.000 0.006 0.000 0.861 179 D CB 0.233 41.035 40.800 0.004 0.000 0.985 179 D HN 0.274 nan 8.370 nan 0.000 0.493 180 V N 1.420 121.334 119.914 0.000 0.000 2.735 180 V HA 0.401 4.521 4.120 -0.000 0.000 0.310 180 V C -0.233 175.868 176.094 0.011 0.000 1.061 180 V CA -0.758 61.543 62.300 0.001 0.000 0.913 180 V CB 2.855 34.667 31.823 -0.018 0.000 1.005 180 V HN -0.105 nan 8.190 nan 0.000 0.428 181 I N 3.862 124.454 120.570 0.036 0.000 2.382 181 I HA 0.484 4.654 4.170 -0.000 0.000 0.286 181 I C -0.791 175.377 176.117 0.086 0.000 1.002 181 I CA -0.722 60.629 61.300 0.084 0.000 1.135 181 I CB 1.963 40.042 38.000 0.131 0.000 1.288 181 I HN 0.290 nan 8.210 nan 0.000 0.448 182 V N 7.602 127.570 119.914 0.090 0.000 2.417 182 V HA 0.445 4.565 4.120 -0.000 0.000 0.291 182 V C 0.047 176.247 176.094 0.177 0.000 1.024 182 V CA -0.477 61.865 62.300 0.070 0.000 0.861 182 V CB 1.853 33.665 31.823 -0.018 0.000 0.985 182 V HN 0.473 nan 8.190 nan 0.000 0.436 183 I N 4.892 125.566 120.570 0.173 0.000 2.328 183 I HA 0.718 4.888 4.170 -0.000 0.000 0.287 183 I C 0.853 177.095 176.117 0.207 0.000 1.012 183 I CA 0.141 61.576 61.300 0.226 0.000 1.195 183 I CB 1.049 39.161 38.000 0.186 0.000 1.350 183 I HN 0.913 nan 8.210 nan 0.000 0.464 184 G N 7.632 116.527 108.800 0.157 0.000 2.698 184 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.225 184 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.225 184 G C -3.131 171.752 174.900 -0.027 0.000 1.345 184 G CA -1.076 44.070 45.100 0.077 0.000 0.871 184 G HN 0.430 nan 8.290 nan 0.000 0.540 185 P HA 0.626 nan 4.420 nan 0.000 0.279 185 P C 0.463 177.785 177.300 0.036 0.000 1.252 185 P CA 0.820 63.901 63.100 -0.032 0.000 0.811 185 P CB 1.558 33.253 31.700 -0.008 0.000 1.035 186 G N -0.457 108.376 108.800 0.055 0.000 2.316 186 G HA2 0.258 4.218 3.960 -0.000 0.000 0.296 186 G HA3 0.258 4.218 3.960 -0.000 0.000 0.296 186 G C -1.232 173.705 174.900 0.062 0.000 1.399 186 G CA -0.649 44.487 45.100 0.060 0.000 0.833 186 G HN 0.371 nan 8.290 nan 0.000 0.565 187 S N -0.077 115.653 115.700 0.051 0.000 2.558 187 S HA 0.033 4.503 4.470 -0.000 0.000 0.293 187 S C 1.683 176.291 174.600 0.014 0.000 1.292 187 S CA -0.017 58.206 58.200 0.038 0.000 1.063 187 S CB 1.099 64.320 63.200 0.037 0.000 0.831 187 S HN 0.896 nan 8.310 nan 0.000 0.499 188 L N 4.033 125.233 121.223 -0.038 0.000 1.970 188 L HA -0.107 4.233 4.340 -0.000 0.000 0.212 188 L C 1.541 178.252 176.870 -0.264 0.000 1.071 188 L CA 2.099 56.827 54.840 -0.188 0.000 0.751 188 L CB -0.654 41.159 42.059 -0.411 0.000 0.889 188 L HN 0.785 nan 8.230 nan 0.000 0.432 189 Y N -1.080 119.181 120.300 -0.066 0.000 2.490 189 Y HA 0.041 4.591 4.550 -0.000 0.000 0.285 189 Y C 2.304 178.160 175.900 -0.073 0.000 1.117 189 Y CA 1.071 59.115 58.100 -0.095 0.000 1.262 189 Y CB -0.595 37.809 38.460 -0.094 0.000 1.043 189 Y HN 0.410 nan 8.280 nan 0.000 0.553 190 T N -6.101 108.502 114.554 0.083 0.000 3.044 190 T HA 0.268 4.618 4.350 -0.000 0.000 0.260 190 T C 1.338 176.056 174.700 0.030 0.000 1.019 190 T CA 0.594 62.719 62.100 0.042 0.000 0.921 190 T CB 0.126 69.014 68.868 0.033 0.000 1.053 190 T HN 0.017 nan 8.240 nan 0.000 0.533 191 S N -0.182 115.536 115.700 0.030 0.000 3.171 191 S HA 0.271 4.741 4.470 -0.000 0.000 0.258 191 S C 1.725 176.351 174.600 0.044 0.000 1.083 191 S CA 0.250 58.475 58.200 0.042 0.000 0.801 191 S CB 0.168 63.399 63.200 0.052 0.000 0.831 191 S HN 0.232 nan 8.310 nan 0.000 0.462 192 V N 2.971 122.899 119.914 0.024 0.000 2.255 192 V HA -0.027 4.093 4.120 -0.000 0.000 0.243 192 V C 2.192 178.255 176.094 -0.053 0.000 1.038 192 V CA 1.576 63.881 62.300 0.007 0.000 1.008 192 V CB -0.732 31.096 31.823 0.008 0.000 0.645 192 V HN 0.354 nan 8.190 nan 0.000 0.449 193 L N -0.058 121.111 121.223 -0.090 0.000 2.046 193 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 193 L C -0.026 176.818 176.870 -0.042 0.000 1.077 193 L CA 1.760 56.533 54.840 -0.111 0.000 0.747 193 L CB -1.756 40.191 42.059 -0.186 0.000 0.896 193 L HN 0.360 nan 8.230 nan 0.000 0.432 194 P HA -0.131 nan 4.420 nan 0.000 0.221 194 P C 1.060 178.381 177.300 0.034 0.000 1.145 194 P CA 1.216 64.326 63.100 0.017 0.000 0.795 194 P CB -0.020 31.691 31.700 0.018 0.000 0.775 195 N N -0.905 117.814 118.700 0.032 0.000 2.197 195 N HA 0.022 4.762 4.740 -0.000 0.000 0.184 195 N C 1.674 177.153 175.510 -0.051 0.000 1.030 195 N CA 0.947 54.037 53.050 0.066 0.000 0.851 195 N CB -0.582 38.002 38.487 0.162 0.000 1.003 195 N HN 0.138 nan 8.380 nan 0.000 0.430 196 L N 0.829 121.954 121.223 -0.163 0.000 2.201 196 L HA -0.044 4.296 4.340 -0.000 0.000 0.212 196 L C 1.805 178.618 176.870 -0.095 0.000 1.105 196 L CA 0.646 55.346 54.840 -0.234 0.000 0.775 196 L CB -0.253 41.664 42.059 -0.237 0.000 0.913 196 L HN 0.103 nan 8.230 nan 0.000 0.440 197 L N -0.587 120.622 121.223 -0.024 0.000 2.599 197 L HA 0.051 4.391 4.340 -0.000 0.000 0.230 197 L C 0.603 177.503 176.870 0.050 0.000 1.141 197 L CA -0.399 54.462 54.840 0.036 0.000 0.877 197 L CB 0.040 42.151 42.059 0.087 0.000 1.009 197 L HN -0.048 nan 8.230 nan 0.000 0.447 198 V N 1.838 121.777 119.914 0.041 0.000 2.540 198 V HA 0.019 4.139 4.120 -0.000 0.000 0.297 198 V C -1.818 174.306 176.094 0.050 0.000 1.024 198 V CA -1.103 61.233 62.300 0.059 0.000 1.105 198 V CB 0.054 31.923 31.823 0.076 0.000 0.938 198 V HN 0.057 nan 8.190 nan 0.000 0.482 199 P HA 0.126 nan 4.420 nan 0.000 0.258 199 P C 0.974 178.299 177.300 0.041 0.000 1.172 199 P CA 1.720 64.847 63.100 0.044 0.000 0.762 199 P CB 0.302 32.030 31.700 0.046 0.000 0.764 200 G N 3.282 112.102 108.800 0.033 0.000 2.254 200 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.225 200 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.225 200 G C 0.940 175.860 174.900 0.035 0.000 1.003 200 G CA -0.008 45.112 45.100 0.034 0.000 0.622 200 G HN 0.417 nan 8.290 nan 0.000 0.507 201 I N 1.156 121.745 120.570 0.031 0.000 2.233 201 I HA -0.033 4.137 4.170 -0.000 0.000 0.243 201 I C 2.935 179.040 176.117 -0.020 0.000 1.093 201 I CA 1.547 62.862 61.300 0.026 0.000 1.380 201 I CB -1.530 36.473 38.000 0.005 0.000 1.067 201 I HN 0.395 nan 8.210 nan 0.000 0.413 202 C N 0.894 120.170 119.300 -0.040 0.000 2.425 202 C HA -0.151 4.309 4.460 -0.000 0.000 0.277 202 C C 2.697 177.678 174.990 -0.017 0.000 1.280 202 C CA 0.788 59.779 59.018 -0.045 0.000 1.744 202 C CB -0.867 26.852 27.740 -0.035 0.000 1.989 202 C HN 0.483 nan 8.230 nan 0.000 0.491 203 E N 1.143 121.343 120.200 -0.000 0.000 2.047 203 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 203 E C 2.313 178.922 176.600 0.015 0.000 0.987 203 E CA 1.450 57.854 56.400 0.008 0.000 0.799 203 E CB -0.504 29.203 29.700 0.012 0.000 0.752 203 E HN 0.614 nan 8.360 nan 0.000 0.449 204 A N 0.767 123.602 122.820 0.025 0.000 1.902 204 A HA -0.166 4.153 4.320 -0.000 0.000 0.217 204 A C 2.277 179.885 177.584 0.041 0.000 1.181 204 A CA 1.269 53.330 52.037 0.039 0.000 0.623 204 A CB -0.729 18.306 19.000 0.059 0.000 0.818 204 A HN 0.196 nan 8.150 nan 0.000 0.443 205 I N -0.528 120.063 120.570 0.034 0.000 2.208 205 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 205 I C 2.593 178.720 176.117 0.016 0.000 1.097 205 I CA 1.901 63.219 61.300 0.029 0.000 1.363 205 I CB -0.233 37.757 38.000 -0.016 0.000 1.051 205 I HN 0.390 nan 8.210 nan 0.000 0.413 206 K N 0.406 120.809 120.400 0.005 0.000 2.057 206 K HA -0.202 4.118 4.320 -0.000 0.000 0.206 206 K C 2.286 178.892 176.600 0.010 0.000 1.050 206 K CA 1.401 57.690 56.287 0.004 0.000 0.935 206 K CB -0.010 32.489 32.500 -0.001 0.000 0.715 206 K HN 0.131 nan 8.250 nan 0.000 0.439 207 Q N 0.134 119.942 119.800 0.014 0.000 2.291 207 Q HA -0.026 4.314 4.340 -0.000 0.000 0.205 207 Q C 1.102 177.113 176.000 0.018 0.000 0.970 207 Q CA 0.876 56.688 55.803 0.015 0.000 0.876 207 Q CB -0.144 28.604 28.738 0.016 0.000 0.935 207 Q HN 0.459 nan 8.270 nan 0.000 0.455 208 S N 0.260 115.974 115.700 0.023 0.000 2.580 208 S HA 0.084 4.554 4.470 -0.000 0.000 0.274 208 S C 1.078 175.691 174.600 0.021 0.000 1.329 208 S CA 0.162 58.377 58.200 0.026 0.000 1.036 208 S CB 1.275 64.497 63.200 0.037 0.000 0.919 208 S HN 0.586 nan 8.310 nan 0.000 0.515 209 T N 1.697 116.263 114.554 0.019 0.000 3.105 209 T HA 0.494 4.844 4.350 -0.000 0.000 0.253 209 T C 0.693 175.403 174.700 0.017 0.000 1.047 209 T CA 0.091 62.201 62.100 0.016 0.000 0.944 209 T CB -0.254 68.622 68.868 0.013 0.000 1.016 209 T HN 0.828 nan 8.240 nan 0.000 0.544 210 A N 1.907 124.740 122.820 0.021 0.000 2.492 210 A HA 0.353 4.673 4.320 -0.000 0.000 0.236 210 A C 0.691 178.287 177.584 0.021 0.000 1.078 210 A CA -0.469 51.581 52.037 0.021 0.000 0.773 210 A CB 0.018 19.035 19.000 0.028 0.000 1.023 210 A HN 0.576 nan 8.150 nan 0.000 0.504 211 R N 0.614 121.124 120.500 0.017 0.000 2.438 211 R HA 0.238 4.578 4.340 -0.000 0.000 0.287 211 R C -0.891 175.422 176.300 0.021 0.000 1.077 211 R CA 0.172 56.282 56.100 0.016 0.000 1.034 211 R CB 0.228 30.534 30.300 0.010 0.000 0.993 211 R HN 0.647 nan 8.270 nan 0.000 0.459 212 K N 3.559 123.974 120.400 0.025 0.000 2.425 212 K HA 0.310 4.630 4.320 -0.000 0.000 0.259 212 K C -1.249 175.374 176.600 0.039 0.000 0.978 212 K CA -0.645 55.664 56.287 0.037 0.000 0.883 212 K CB 2.261 34.781 32.500 0.034 0.000 1.110 212 K HN 0.253 nan 8.250 nan 0.000 0.436 213 V N 3.451 123.388 119.914 0.039 0.000 2.448 213 V HA 0.246 4.366 4.120 -0.000 0.000 0.295 213 V C -1.061 175.078 176.094 0.076 0.000 1.025 213 V CA -1.010 61.307 62.300 0.027 0.000 0.859 213 V CB 0.922 32.723 31.823 -0.036 0.000 0.988 213 V HN 0.603 nan 8.190 nan 0.000 0.431 214 Y N 5.768 126.034 120.300 -0.057 0.000 2.335 214 Y HA 0.626 5.176 4.550 -0.000 0.000 0.339 214 Y C -0.230 175.611 175.900 -0.099 0.000 0.987 214 Y CA -1.504 56.560 58.100 -0.061 0.000 1.140 214 Y CB 1.140 39.577 38.460 -0.040 0.000 1.173 214 Y HN 0.584 nan 8.280 nan 0.000 0.486 215 I N 7.579 127.840 120.570 -0.515 0.000 2.291 215 I HA 0.131 4.301 4.170 -0.000 0.000 0.292 215 I C 0.107 175.691 176.117 -0.887 0.000 1.064 215 I CA -0.307 60.620 61.300 -0.621 0.000 1.269 215 I CB 0.184 37.879 38.000 -0.509 0.000 1.418 215 I HN 0.656 nan 8.210 nan 0.000 0.485 216 C N 7.406 126.185 119.300 -0.868 0.000 2.605 216 C HA 0.174 4.634 4.460 -0.000 0.000 0.404 216 C C 0.853 175.625 174.990 -0.364 0.000 1.284 216 C CA -0.612 57.924 59.018 -0.804 0.000 2.199 216 C CB -0.278 27.173 27.740 -0.480 0.000 2.647 216 C HN 0.707 nan 8.230 nan 0.000 0.604 217 N N 2.749 121.241 118.700 -0.347 0.000 2.454 217 N HA 0.140 4.880 4.740 -0.000 0.000 0.254 217 N C -0.011 175.375 175.510 -0.207 0.000 1.228 217 N CA -0.074 52.849 53.050 -0.211 0.000 0.900 217 N CB 0.811 39.195 38.487 -0.172 0.000 1.089 217 N HN 0.501 nan 8.380 nan 0.000 0.449 221 Q N 0.730 120.560 119.800 0.050 0.000 2.304 221 Q HA 0.476 4.816 4.340 -0.000 0.000 0.270 221 Q C -0.932 175.083 176.000 0.025 0.000 1.035 221 Q CA -1.002 54.828 55.803 0.046 0.000 0.781 221 Q CB 2.091 30.851 28.738 0.037 0.000 1.261 221 Q HN 0.655 nan 8.270 nan 0.000 0.444 222 N N 0.546 119.266 118.700 0.034 0.000 2.454 222 N HA 0.087 4.827 4.740 -0.000 0.000 0.260 222 N C 0.858 176.375 175.510 0.012 0.000 1.218 222 N CA 2.031 55.096 53.050 0.025 0.000 0.904 222 N CB 0.590 39.092 38.487 0.025 0.000 1.065 222 N HN 0.865 nan 8.380 nan 0.000 0.462 223 G N 2.348 111.154 108.800 0.009 0.000 2.179 223 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 223 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 223 G C 0.642 175.535 174.900 -0.013 0.000 0.977 223 G CA 0.701 45.801 45.100 -0.001 0.000 0.641 223 G HN 0.644 nan 8.290 nan 0.000 0.533 224 E N -1.715 118.477 120.200 -0.014 0.000 2.905 224 E HA 0.158 4.508 4.350 -0.000 0.000 0.197 224 E C 1.562 178.098 176.600 -0.107 0.000 1.016 224 E CA 0.826 57.230 56.400 0.006 0.000 1.307 224 E CB 0.539 30.270 29.700 0.052 0.000 1.255 224 E HN 0.556 nan 8.360 nan 0.000 0.527 225 T N -0.297 114.105 114.554 -0.252 0.000 3.380 225 T HA 0.254 4.604 4.350 -0.000 0.000 0.289 225 T C -0.785 173.783 174.700 -0.221 0.000 1.012 225 T CA -0.529 61.134 62.100 -0.728 0.000 0.944 225 T CB -0.399 68.028 68.868 -0.734 0.000 1.172 225 T HN -0.177 nan 8.240 nan 0.000 0.502 226 D N 1.969 122.365 120.400 -0.007 0.000 2.520 226 D HA 0.397 5.037 4.640 -0.000 0.000 0.243 226 D C 1.532 177.972 176.300 0.233 0.000 1.160 226 D CA 1.738 55.803 54.000 0.109 0.000 0.877 226 D CB -0.046 40.809 40.800 0.093 0.000 1.150 226 D HN 0.525 nan 8.370 nan 0.000 0.494 227 G N 1.660 110.580 108.800 0.200 0.000 2.184 227 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.264 227 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.264 227 G C -0.065 174.987 174.900 0.255 0.000 0.975 227 G CA -0.317 44.900 45.100 0.195 0.000 0.642 227 G HN 0.444 nan 8.290 nan 0.000 0.536 228 Y N 2.325 122.656 120.300 0.050 0.000 2.442 228 Y HA 0.434 4.984 4.550 -0.000 0.000 0.330 228 Y C 1.687 177.676 175.900 0.147 0.000 1.129 228 Y CA 0.001 58.121 58.100 0.033 0.000 1.365 228 Y CB 0.555 38.896 38.460 -0.199 0.000 1.233 228 Y HN 0.345 nan 8.280 nan 0.000 0.529 229 T N -1.115 113.573 114.554 0.223 0.000 2.810 229 T HA 0.529 4.879 4.350 -0.000 0.000 0.277 229 T C 1.368 176.270 174.700 0.336 0.000 0.973 229 T CA -0.310 61.916 62.100 0.209 0.000 0.949 229 T CB 1.066 69.997 68.868 0.104 0.000 1.075 229 T HN 0.651 nan 8.240 nan 0.000 0.537 230 A N 0.901 123.848 122.820 0.211 0.000 1.908 230 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 230 A C 2.678 180.404 177.584 0.236 0.000 1.181 230 A CA 2.396 54.548 52.037 0.193 0.000 0.627 230 A CB -1.591 17.457 19.000 0.079 0.000 0.818 230 A HN 1.195 nan 8.150 nan 0.000 0.445 231 S N 0.024 115.814 115.700 0.149 0.000 2.402 231 S HA -0.178 4.292 4.470 -0.000 0.000 0.229 231 S C 1.380 176.032 174.600 0.086 0.000 1.021 231 S CA 1.409 59.671 58.200 0.102 0.000 0.974 231 S CB -0.507 62.725 63.200 0.052 0.000 0.800 231 S HN 0.517 nan 8.310 nan 0.000 0.484 232 D N 1.403 121.844 120.400 0.068 0.000 2.144 232 D HA -0.081 4.559 4.640 -0.000 0.000 0.199 232 D C 1.771 178.102 176.300 0.051 0.000 0.984 232 D CA 1.509 55.460 54.000 -0.082 0.000 0.834 232 D CB -0.568 40.023 40.800 -0.349 0.000 0.955 232 D HN 0.611 nan 8.370 nan 0.000 0.465 233 H N -0.064 119.125 119.070 0.198 0.000 2.326 233 H HA -0.036 4.520 4.556 -0.000 0.000 0.301 233 H C 1.899 177.251 175.328 0.040 0.000 1.081 233 H CA 0.699 56.867 56.048 0.198 0.000 1.334 233 H CB -0.271 29.658 29.762 0.278 0.000 1.385 233 H HN 0.018 nan 8.280 nan 0.000 0.504 234 L N 0.726 122.063 121.223 0.191 0.000 2.046 234 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 234 L C 2.257 179.120 176.870 -0.012 0.000 1.077 234 L CA 1.636 56.489 54.840 0.022 0.000 0.747 234 L CB -0.749 41.363 42.059 0.088 0.000 0.896 234 L HN 0.179 nan 8.230 nan 0.000 0.432 235 Q N -0.213 119.604 119.800 0.027 0.000 2.096 235 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 235 Q C 2.165 178.193 176.000 0.046 0.000 0.982 235 Q CA 2.255 58.069 55.803 0.019 0.000 0.850 235 Q CB -0.485 28.253 28.738 0.001 0.000 0.901 235 Q HN 0.597 nan 8.270 nan 0.000 0.422 236 A N -0.062 122.800 122.820 0.070 0.000 1.902 236 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 236 A C 1.229 178.906 177.584 0.155 0.000 1.181 236 A CA 0.792 52.931 52.037 0.170 0.000 0.623 236 A CB -0.638 18.441 19.000 0.132 0.000 0.818 236 A HN 0.432 nan 8.150 nan 0.000 0.443 240 H N -0.584 118.497 119.070 0.018 0.000 2.525 240 H HA 0.275 4.831 4.556 -0.000 0.000 0.275 240 H C 1.399 176.727 175.328 -0.001 0.000 0.984 240 H CA 1.258 57.322 56.048 0.027 0.000 1.264 240 H CB 0.449 30.241 29.762 0.049 0.000 1.432 240 H HN 0.178 nan 8.280 nan 0.000 0.549 241 C N -1.003 118.350 119.300 0.088 0.000 3.757 241 C HA 0.621 5.081 4.460 -0.000 0.000 0.358 241 C C 1.436 176.426 174.990 0.000 0.000 1.484 241 C CA 0.147 59.179 59.018 0.024 0.000 1.862 241 C CB 0.024 27.753 27.740 -0.019 0.000 2.654 241 C HN 0.855 nan 8.230 nan 0.000 0.699 242 G N 1.462 110.263 108.800 0.001 0.000 2.553 242 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.242 242 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.242 242 G C -0.268 174.625 174.900 -0.013 0.000 1.277 242 G CA 0.054 45.150 45.100 -0.007 0.000 0.910 242 G HN 1.242 nan 8.290 nan 0.000 0.576 243 V N -1.841 118.067 119.914 -0.011 0.000 2.863 243 V HA 0.819 4.939 4.120 -0.000 0.000 0.307 243 V C 1.713 177.801 176.094 -0.011 0.000 1.061 243 V CA 0.663 62.957 62.300 -0.010 0.000 1.024 243 V CB 0.730 32.550 31.823 -0.006 0.000 1.049 243 V HN 3.039 nan 8.190 nan 0.000 0.471 244 G N 1.913 110.708 108.800 -0.008 0.000 2.176 244 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.252 244 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.252 244 G C 0.202 175.096 174.900 -0.011 0.000 1.024 244 G CA 0.407 45.504 45.100 -0.005 0.000 0.755 244 G HN 0.767 nan 8.290 nan 0.000 0.507 245 I N -1.174 119.382 120.570 -0.022 0.000 3.445 245 I HA 0.224 4.394 4.170 -0.000 0.000 0.288 245 I C 0.926 177.025 176.117 -0.030 0.000 1.198 245 I CA 0.669 61.946 61.300 -0.040 0.000 1.417 245 I CB 0.260 38.218 38.000 -0.070 0.000 1.205 245 I HN 0.034 nan 8.210 nan 0.000 0.448 246 V N 2.532 122.433 119.914 -0.021 0.000 2.483 246 V HA 0.316 4.436 4.120 -0.000 0.000 0.297 246 V C 0.302 176.408 176.094 0.020 0.000 1.027 246 V CA -0.509 61.795 62.300 0.007 0.000 0.855 246 V CB 2.469 34.290 31.823 -0.004 0.000 0.995 246 V HN 0.096 nan 8.190 nan 0.000 0.424 247 D N 1.243 121.660 120.400 0.029 0.000 2.269 247 D HA 0.116 4.756 4.640 -0.000 0.000 0.220 247 D C 0.087 176.406 176.300 0.032 0.000 0.962 247 D CA 0.876 54.891 54.000 0.025 0.000 0.884 247 D CB 0.612 41.424 40.800 0.021 0.000 1.023 247 D HN 0.522 nan 8.370 nan 0.000 0.484 248 D N 0.085 120.508 120.400 0.038 0.000 2.575 248 D HA 0.370 5.010 4.640 -0.000 0.000 0.236 248 D C -0.563 175.770 176.300 0.055 0.000 1.075 248 D CA -0.508 53.514 54.000 0.037 0.000 0.860 248 D CB 2.955 43.766 40.800 0.018 0.000 1.475 248 D HN -0.047 nan 8.370 nan 0.000 0.474 249 I N 1.802 122.404 120.570 0.053 0.000 2.354 249 I HA 0.359 4.529 4.170 -0.000 0.000 0.292 249 I C -1.173 174.921 176.117 -0.038 0.000 0.989 249 I CA -0.797 60.530 61.300 0.045 0.000 1.188 249 I CB 1.349 39.417 38.000 0.113 0.000 1.342 249 I HN 0.172 nan 8.210 nan 0.000 0.457 250 L N 9.259 130.394 121.223 -0.146 0.000 2.272 250 L HA 0.642 4.982 4.340 -0.000 0.000 0.289 250 L C -0.979 175.787 176.870 -0.173 0.000 1.032 250 L CA -0.515 54.211 54.840 -0.190 0.000 0.810 250 L CB 1.250 43.084 42.059 -0.376 0.000 1.205 250 L HN 0.544 nan 8.230 nan 0.000 0.422 251 V N 0.902 120.814 119.914 -0.004 0.000 2.876 251 V HA 0.435 4.555 4.120 -0.000 0.000 0.312 251 V C -0.793 175.435 176.094 0.223 0.000 1.085 251 V CA -0.892 61.441 62.300 0.055 0.000 0.945 251 V CB 1.564 33.396 31.823 0.015 0.000 1.017 251 V HN 0.812 nan 8.190 nan 0.000 0.428 252 H N 3.002 122.137 119.070 0.108 0.000 2.969 252 H HA 0.587 5.143 4.556 -0.000 0.000 0.269 252 H C 1.015 176.327 175.328 -0.026 0.000 1.223 252 H CA 0.561 56.665 56.048 0.094 0.000 1.400 252 H CB 0.962 30.746 29.762 0.037 0.000 1.500 252 H HN 1.030 nan 8.280 nan 0.000 0.486 253 G N 2.799 111.368 108.800 -0.386 0.000 3.233 253 G HA2 0.277 4.237 3.960 -0.000 0.000 0.227 253 G HA3 0.277 4.237 3.960 -0.000 0.000 0.227 253 G C 0.390 174.986 174.900 -0.506 0.000 1.175 253 G CA 0.465 45.356 45.100 -0.348 0.000 0.781 253 G HN 0.749 nan 8.290 nan 0.000 0.542 254 E N 0.557 120.224 120.200 -0.888 0.000 2.264 254 E HA 0.783 5.133 4.350 -0.000 0.000 0.260 254 E C -2.886 173.510 176.600 -0.341 0.000 0.961 254 E CA -1.921 54.050 56.400 -0.715 0.000 0.834 254 E CB 0.946 29.885 29.700 -1.269 0.000 1.230 254 E HN 0.123 nan 8.360 nan 0.000 0.412 255 P HA 0.506 nan 4.420 nan 0.000 0.279 255 P C -0.602 176.802 177.300 0.173 0.000 1.282 255 P CA -0.551 62.581 63.100 0.052 0.000 0.788 255 P CB 0.583 32.308 31.700 0.041 0.000 1.139 256 I N -0.571 120.064 120.570 0.107 0.000 2.608 256 I HA 0.178 4.348 4.170 -0.000 0.000 0.295 256 I C 0.651 176.798 176.117 0.050 0.000 1.049 256 I CA -0.733 60.610 61.300 0.073 0.000 1.063 256 I CB 1.799 39.804 38.000 0.009 0.000 1.248 256 I HN 0.429 nan 8.210 nan 0.000 0.424 257 S N 3.308 119.033 115.700 0.042 0.000 2.563 257 S HA 0.009 4.479 4.470 -0.000 0.000 0.284 257 S C 0.673 175.295 174.600 0.037 0.000 1.331 257 S CA -0.013 58.211 58.200 0.039 0.000 1.047 257 S CB 0.715 63.936 63.200 0.035 0.000 0.859 257 S HN 0.537 nan 8.310 nan 0.000 0.514 258 D N 1.869 122.290 120.400 0.036 0.000 2.178 258 D HA -0.059 4.580 4.640 -0.000 0.000 0.202 258 D C 2.217 178.543 176.300 0.042 0.000 0.974 258 D CA 1.939 55.961 54.000 0.036 0.000 0.841 258 D CB -0.856 39.962 40.800 0.030 0.000 0.953 258 D HN 0.900 nan 8.370 nan 0.000 0.478 259 T N -1.156 113.423 114.554 0.041 0.000 2.821 259 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 259 T C 2.223 176.964 174.700 0.068 0.000 1.046 259 T CA 0.967 63.094 62.100 0.045 0.000 1.139 259 T CB -0.714 68.175 68.868 0.035 0.000 0.871 259 T HN -0.028 nan 8.240 nan 0.000 0.454 260 V N 1.838 121.800 119.914 0.080 0.000 2.270 260 V HA -0.136 3.984 4.120 -0.000 0.000 0.245 260 V C 2.812 179.018 176.094 0.185 0.000 1.043 260 V CA 1.756 64.139 62.300 0.140 0.000 1.014 260 V CB -0.693 31.180 31.823 0.084 0.000 0.645 260 V HN 0.446 nan 8.190 nan 0.000 0.447 261 K N 0.261 120.718 120.400 0.096 0.000 2.074 261 K HA -0.230 4.090 4.320 -0.000 0.000 0.209 261 K C 2.296 178.968 176.600 0.119 0.000 1.048 261 K CA 1.705 58.046 56.287 0.091 0.000 0.926 261 K CB -0.461 32.069 32.500 0.050 0.000 0.713 261 K HN 0.497 nan 8.250 nan 0.000 0.444 262 A N 1.367 124.242 122.820 0.090 0.000 1.898 262 A HA -0.198 4.121 4.320 -0.000 0.000 0.216 262 A C 2.018 179.643 177.584 0.068 0.000 1.181 262 A CA 1.549 53.627 52.037 0.068 0.000 0.620 262 A CB -0.329 18.699 19.000 0.046 0.000 0.819 262 A HN 0.195 nan 8.150 nan 0.000 0.442 263 K N -1.811 118.636 120.400 0.079 0.000 2.057 263 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 263 K C 1.771 178.350 176.600 -0.034 0.000 1.050 263 K CA 1.571 57.867 56.287 0.014 0.000 0.935 263 K CB -0.273 32.227 32.500 -0.001 0.000 0.715 263 K HN 0.569 nan 8.250 nan 0.000 0.439 264 Y N 0.115 120.415 120.300 0.001 0.000 2.314 264 Y HA -0.090 4.460 4.550 -0.000 0.000 0.293 264 Y C 2.197 178.102 175.900 0.007 0.000 1.129 264 Y CA 1.079 59.180 58.100 0.002 0.000 1.201 264 Y CB -0.215 38.245 38.460 -0.001 0.000 0.999 264 Y HN 0.141 nan 8.280 nan 0.000 0.541 265 A N -0.106 122.799 122.820 0.142 0.000 2.019 265 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 265 A C 2.238 179.849 177.584 0.044 0.000 1.164 265 A CA 1.672 53.759 52.037 0.084 0.000 0.644 265 A CB -0.575 18.466 19.000 0.068 0.000 0.805 265 A HN 0.254 nan 8.150 nan 0.000 0.449 266 K N -0.142 120.270 120.400 0.020 0.000 2.280 266 K HA -0.063 4.257 4.320 -0.000 0.000 0.202 266 K C 0.959 177.552 176.600 -0.012 0.000 1.047 266 K CA 1.418 57.703 56.287 -0.003 0.000 0.942 266 K CB -0.390 32.097 32.500 -0.021 0.000 0.739 266 K HN 0.835 nan 8.250 nan 0.000 0.457 267 E N -0.127 120.063 120.200 -0.016 0.000 2.496 267 E HA 0.168 4.518 4.350 -0.000 0.000 0.202 267 E C -0.448 176.166 176.600 0.023 0.000 1.021 267 E CA -0.216 56.176 56.400 -0.013 0.000 1.015 267 E CB 0.220 29.890 29.700 -0.051 0.000 1.102 267 E HN 0.270 nan 8.360 nan 0.000 0.452 268 K N 0.082 120.503 120.400 0.036 0.000 3.012 268 K HA -0.229 4.091 4.320 -0.000 0.000 0.259 268 K C -0.358 176.285 176.600 0.072 0.000 0.989 268 K CA 0.471 56.788 56.287 0.049 0.000 0.728 268 K CB -1.353 31.169 32.500 0.037 0.000 1.260 268 K HN 0.239 nan 8.250 nan 0.000 0.480 269 A N 1.726 124.609 122.820 0.106 0.000 2.324 269 A HA 0.570 4.890 4.320 -0.000 0.000 0.330 269 A C 0.084 177.751 177.584 0.138 0.000 1.165 269 A CA -0.509 51.615 52.037 0.146 0.000 0.813 269 A CB 0.760 19.912 19.000 0.253 0.000 1.197 269 A HN 0.339 nan 8.150 nan 0.000 0.484 270 E N 1.771 122.028 120.200 0.095 0.000 2.429 270 E HA 0.608 4.958 4.350 -0.000 0.000 0.276 270 E C -3.059 173.557 176.600 0.027 0.000 0.953 270 E CA -2.247 54.190 56.400 0.062 0.000 0.787 270 E CB 1.346 31.084 29.700 0.065 0.000 1.307 270 E HN 0.269 nan 8.360 nan 0.000 0.458 271 P HA 0.003 nan 4.420 nan 0.000 0.266 271 P C -0.510 176.807 177.300 0.028 0.000 1.195 271 P CA -0.272 62.819 63.100 -0.015 0.000 0.768 271 P CB 0.537 32.233 31.700 -0.007 0.000 0.838 272 V N 5.354 125.282 119.914 0.022 0.000 2.397 272 V HA 0.021 4.141 4.120 -0.000 0.000 0.262 272 V C 0.688 176.812 176.094 0.049 0.000 1.047 272 V CA -0.303 62.035 62.300 0.063 0.000 1.003 272 V CB -0.425 31.402 31.823 0.005 0.000 1.037 272 V HN 0.366 nan 8.190 nan 0.000 0.480 273 I N 5.839 126.449 120.570 0.067 0.000 2.683 273 I HA 0.040 4.210 4.170 -0.000 0.000 0.286 273 I C 0.427 176.569 176.117 0.041 0.000 1.175 273 I CA 0.211 61.537 61.300 0.044 0.000 1.429 273 I CB 0.646 38.673 38.000 0.045 0.000 1.371 273 I HN 0.206 nan 8.210 nan 0.000 0.569 274 V N 6.580 126.503 119.914 0.015 0.000 2.353 274 V HA 0.130 4.250 4.120 -0.000 0.000 0.264 274 V C -0.198 175.903 176.094 0.011 0.000 1.049 274 V CA -0.737 61.569 62.300 0.011 0.000 0.896 274 V CB 0.782 32.596 31.823 -0.015 0.000 1.025 274 V HN 0.746 nan 8.190 nan 0.000 0.475 275 D N 3.904 124.319 120.400 0.025 0.000 2.485 275 D HA 0.186 4.826 4.640 -0.000 0.000 0.221 275 D C 0.784 177.094 176.300 0.018 0.000 1.112 275 D CA -0.617 53.395 54.000 0.020 0.000 0.911 275 D CB 1.045 41.860 40.800 0.026 0.000 1.019 275 D HN 0.442 nan 8.370 nan 0.000 0.516 276 E N 0.840 121.046 120.200 0.009 0.000 2.110 276 E HA -0.283 4.067 4.350 -0.000 0.000 0.193 276 E C 1.985 178.591 176.600 0.010 0.000 0.988 276 E CA 1.751 58.156 56.400 0.008 0.000 0.804 276 E CB -0.398 29.301 29.700 -0.001 0.000 0.745 276 E HN 0.879 nan 8.360 nan 0.000 0.458 277 H N 2.059 121.133 119.070 0.008 0.000 2.321 277 H HA 0.028 4.584 4.556 -0.000 0.000 0.300 277 H C 2.014 177.348 175.328 0.010 0.000 1.087 277 H CA 1.777 57.830 56.048 0.007 0.000 1.319 277 H CB -0.543 29.222 29.762 0.005 0.000 1.379 277 H HN 0.045 nan 8.280 nan 0.000 0.501 278 K N -0.052 120.356 120.400 0.013 0.000 2.148 278 K HA 0.038 4.358 4.320 -0.000 0.000 0.204 278 K C 2.357 178.970 176.600 0.021 0.000 1.050 278 K CA 1.103 57.398 56.287 0.014 0.000 0.942 278 K CB -0.056 32.452 32.500 0.014 0.000 0.724 278 K HN 0.429 nan 8.250 nan 0.000 0.446 279 L N 1.089 122.328 121.223 0.027 0.000 2.056 279 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 279 L C 2.615 179.501 176.870 0.027 0.000 1.078 279 L CA 1.231 56.092 54.840 0.035 0.000 0.749 279 L CB -0.343 41.740 42.059 0.040 0.000 0.901 279 L HN 0.141 nan 8.230 nan 0.000 0.433 280 K N 0.416 120.828 120.400 0.020 0.000 2.057 280 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 280 K C 2.132 178.740 176.600 0.013 0.000 1.049 280 K CA 1.306 57.603 56.287 0.016 0.000 0.931 280 K CB -0.091 32.416 32.500 0.012 0.000 0.714 280 K HN 0.273 nan 8.250 nan 0.000 0.440 281 A N 1.023 123.850 122.820 0.012 0.000 1.978 281 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 281 A C 1.907 179.497 177.584 0.010 0.000 1.170 281 A CA 1.216 53.258 52.037 0.009 0.000 0.636 281 A CB -0.441 18.564 19.000 0.007 0.000 0.810 281 A HN 0.333 nan 8.150 nan 0.000 0.448 282 L N -1.371 119.861 121.223 0.014 0.000 2.599 282 L HA 0.175 4.515 4.340 -0.000 0.000 0.230 282 L C 1.631 178.509 176.870 0.014 0.000 1.141 282 L CA 0.573 55.421 54.840 0.014 0.000 0.877 282 L CB -0.116 41.954 42.059 0.020 0.000 1.009 282 L HN 0.586 nan 8.230 nan 0.000 0.447 283 G N 0.372 109.181 108.800 0.014 0.000 2.141 283 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.242 283 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.242 283 G C 0.174 175.084 174.900 0.016 0.000 0.982 283 G CA 0.098 45.205 45.100 0.013 0.000 0.662 283 G HN 0.232 nan 8.290 nan 0.000 0.527 284 V N -1.538 118.389 119.914 0.023 0.000 2.881 284 V HA 0.989 5.109 4.120 -0.000 0.000 0.316 284 V C 0.948 177.058 176.094 0.027 0.000 1.070 284 V CA -0.339 61.977 62.300 0.028 0.000 0.976 284 V CB 1.647 33.495 31.823 0.041 0.000 1.038 284 V HN 1.239 nan 8.190 nan 0.000 0.446 285 G N 0.964 109.780 108.800 0.027 0.000 2.539 285 G HA2 0.516 4.476 3.960 -0.000 0.000 0.258 285 G HA3 0.516 4.476 3.960 -0.000 0.000 0.258 285 G C -0.267 174.650 174.900 0.029 0.000 1.202 285 G CA -0.280 44.835 45.100 0.025 0.000 0.851 285 G HN 0.919 nan 8.290 nan 0.000 0.556 286 T N 1.217 115.788 114.554 0.027 0.000 2.786 286 T HA 0.408 4.758 4.350 -0.000 0.000 0.283 286 T C -0.020 174.703 174.700 0.039 0.000 0.992 286 T CA -0.040 62.078 62.100 0.030 0.000 0.954 286 T CB 0.927 69.810 68.868 0.024 0.000 0.934 286 T HN 0.312 nan 8.240 nan 0.000 0.440 287 I N 2.976 123.578 120.570 0.054 0.000 2.337 287 I HA 0.359 4.529 4.170 -0.000 0.000 0.285 287 I C 0.366 176.597 176.117 0.189 0.000 1.041 287 I CA -0.284 61.081 61.300 0.109 0.000 1.199 287 I CB 1.144 39.207 38.000 0.105 0.000 1.370 287 I HN 0.456 nan 8.210 nan 0.000 0.470 288 S N 4.995 120.775 115.700 0.133 0.000 2.454 288 S HA 0.627 5.097 4.470 -0.000 0.000 0.306 288 S C -0.935 173.640 174.600 -0.042 0.000 1.100 288 S CA -0.305 57.944 58.200 0.082 0.000 1.087 288 S CB 1.102 64.288 63.200 -0.023 0.000 1.019 288 S HN 0.652 nan 8.310 nan 0.000 0.480 289 D N 1.140 121.422 120.400 -0.197 0.000 2.792 289 D HA 0.207 4.847 4.640 -0.000 0.000 0.335 289 D C -1.781 174.187 176.300 -0.553 0.000 1.353 289 D CA -0.486 53.188 54.000 -0.544 0.000 0.839 289 D CB 0.502 40.683 40.800 -1.031 0.000 1.396 289 D HN 0.525 nan 8.370 nan 0.000 0.479 290 Y N 1.280 121.348 120.300 -0.386 0.000 2.585 290 Y HA 0.249 4.799 4.550 -0.000 0.000 0.354 290 Y C 0.624 176.495 175.900 -0.049 0.000 1.024 290 Y CA 0.064 58.113 58.100 -0.085 0.000 1.321 290 Y CB 0.149 38.584 38.460 -0.040 0.000 1.151 290 Y HN 0.179 nan 8.280 nan 0.000 0.525 291 F N 1.245 121.484 119.950 0.481 0.000 2.706 291 F HA 0.214 4.741 4.527 -0.000 0.000 0.313 291 F C 0.306 176.187 175.800 0.134 0.000 1.096 291 F CA -0.600 57.571 58.000 0.285 0.000 1.219 291 F CB 0.400 39.573 39.000 0.290 0.000 1.051 291 F HN 0.226 nan 8.300 nan 0.000 0.568 292 V N -0.973 118.992 119.914 0.085 0.000 2.919 292 V HA 0.751 4.871 4.120 -0.000 0.000 0.316 292 V C -0.649 175.408 176.094 -0.061 0.000 1.077 292 V CA -1.018 61.184 62.300 -0.163 0.000 0.977 292 V CB 2.467 33.970 31.823 -0.533 0.000 1.039 292 V HN -0.027 nan 8.190 nan 0.000 0.441 293 L N 1.662 122.853 121.223 -0.053 0.000 2.333 293 L HA 0.671 5.011 4.340 -0.000 0.000 0.263 293 L C -0.349 176.501 176.870 -0.033 0.000 1.014 293 L CA -0.565 54.265 54.840 -0.016 0.000 0.820 293 L CB 2.255 44.324 42.059 0.017 0.000 1.352 293 L HN 0.897 nan 8.230 nan 0.000 0.421 294 E N 1.401 121.595 120.200 -0.010 0.000 2.134 294 E HA 0.638 4.988 4.350 -0.000 0.000 0.278 294 E C -0.813 175.796 176.600 0.015 0.000 0.959 294 E CA 0.007 56.409 56.400 0.004 0.000 0.783 294 E CB 1.418 31.124 29.700 0.010 0.000 1.095 294 E HN 0.590 nan 8.360 nan 0.000 0.399 298 V N 0.569 120.533 119.914 0.083 0.000 2.850 298 V HA 0.825 4.945 4.120 -0.000 0.000 0.315 298 V C -0.443 175.734 176.094 0.138 0.000 1.064 298 V CA -0.923 61.465 62.300 0.147 0.000 0.979 298 V CB 1.933 33.803 31.823 0.077 0.000 1.039 298 V HN 0.403 nan 8.190 nan 0.000 0.452 299 L N 4.466 125.793 121.223 0.173 0.000 2.294 299 L HA 0.611 4.951 4.340 -0.000 0.000 0.283 299 L C -0.168 176.656 176.870 -0.076 0.000 1.015 299 L CA 0.076 54.897 54.840 -0.032 0.000 0.831 299 L CB 0.496 42.403 42.059 -0.252 0.000 1.217 299 L HN 0.543 nan 8.230 nan 0.000 0.420 300 R N 2.508 122.957 120.500 -0.084 0.000 2.803 300 R HA 0.405 4.745 4.340 -0.000 0.000 0.276 300 R C -0.744 175.494 176.300 -0.104 0.000 0.978 300 R CA -1.037 55.022 56.100 -0.068 0.000 0.939 300 R CB 1.364 31.668 30.300 0.006 0.000 1.179 300 R HN 0.615 nan 8.270 nan 0.000 0.472 301 H N 0.635 119.684 119.070 -0.035 0.000 2.771 301 H HA 0.023 4.579 4.556 -0.000 0.000 0.364 301 H C 0.581 175.920 175.328 0.018 0.000 1.133 301 H CA 0.406 56.441 56.048 -0.021 0.000 1.423 301 H CB 0.654 30.382 29.762 -0.057 0.000 1.425 301 H HN 0.228 nan 8.280 nan 0.000 0.606 302 N N 2.120 120.950 118.700 0.218 0.000 2.448 302 N HA 0.039 4.779 4.740 -0.000 0.000 0.250 302 N C 0.574 176.178 175.510 0.156 0.000 1.136 302 N CA 0.103 53.258 53.050 0.175 0.000 0.953 302 N CB 0.480 39.091 38.487 0.206 0.000 1.251 302 N HN 0.734 nan 8.380 nan 0.000 0.502 303 A N 3.050 125.933 122.820 0.106 0.000 1.917 303 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 303 A C 2.306 179.928 177.584 0.062 0.000 1.182 303 A CA 1.898 53.968 52.037 0.056 0.000 0.633 303 A CB -0.630 18.407 19.000 0.061 0.000 0.819 303 A HN 0.640 nan 8.150 nan 0.000 0.448 304 S N -0.896 114.892 115.700 0.148 0.000 2.345 304 S HA -0.138 4.332 4.470 -0.000 0.000 0.220 304 S C 2.092 176.816 174.600 0.206 0.000 1.031 304 S CA 1.604 59.952 58.200 0.247 0.000 0.996 304 S CB -0.250 63.093 63.200 0.239 0.000 0.882 304 S HN 0.615 nan 8.310 nan 0.000 0.445 305 K N 0.410 120.937 120.400 0.212 0.000 2.026 305 K HA -0.065 4.255 4.320 -0.000 0.000 0.208 305 K C 2.055 178.836 176.600 0.301 0.000 1.048 305 K CA 1.432 57.884 56.287 0.275 0.000 0.929 305 K CB -0.496 32.194 32.500 0.317 0.000 0.713 305 K HN 0.219 nan 8.250 nan 0.000 0.439 306 V N 1.268 121.287 119.914 0.174 0.000 2.295 306 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 306 V C 2.206 178.178 176.094 -0.203 0.000 1.049 306 V CA 1.882 64.094 62.300 -0.147 0.000 1.024 306 V CB -0.410 31.225 31.823 -0.313 0.000 0.648 306 V HN 0.282 nan 8.190 nan 0.000 0.447 307 S N -0.720 114.821 115.700 -0.264 0.000 2.370 307 S HA -0.291 4.179 4.470 -0.000 0.000 0.226 307 S C 2.002 176.297 174.600 -0.508 0.000 1.033 307 S CA 1.970 59.852 58.200 -0.530 0.000 1.011 307 S CB -0.310 62.278 63.200 -1.020 0.000 0.852 307 S HN 0.745 nan 8.310 nan 0.000 0.457 308 E N 0.990 121.021 120.200 -0.283 0.000 2.072 308 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 308 E C 2.150 178.759 176.600 0.015 0.000 0.985 308 E CA 0.890 57.278 56.400 -0.020 0.000 0.801 308 E CB -0.236 29.578 29.700 0.190 0.000 0.750 308 E HN 0.479 nan 8.360 nan 0.000 0.452 309 A N 1.587 124.439 122.820 0.054 0.000 1.933 309 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 309 A C 2.242 179.822 177.584 -0.007 0.000 1.175 309 A CA 1.439 53.530 52.037 0.090 0.000 0.628 309 A CB -0.803 18.335 19.000 0.229 0.000 0.814 309 A HN 0.575 nan 8.150 nan 0.000 0.444 310 I N -3.474 117.042 120.570 -0.090 0.000 3.059 310 I HA 0.065 4.235 4.170 -0.000 0.000 0.270 310 I C 1.525 177.599 176.117 -0.073 0.000 1.238 310 I CA 0.973 62.214 61.300 -0.099 0.000 1.478 310 I CB -0.144 37.767 38.000 -0.148 0.000 1.097 310 I HN 0.171 nan 8.210 nan 0.000 0.455 311 L N 1.513 122.690 121.223 -0.076 0.000 2.529 311 L HA 0.228 4.568 4.340 -0.000 0.000 0.223 311 L C 1.685 178.560 176.870 0.008 0.000 1.113 311 L CA 0.320 55.138 54.840 -0.036 0.000 0.861 311 L CB -0.484 41.552 42.059 -0.039 0.000 1.012 311 L HN 0.445 nan 8.230 nan 0.000 0.461 312 E N 0.000 120.210 120.200 0.017 0.000 2.725 312 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 312 E CA 0.000 56.419 56.400 0.032 0.000 0.976 312 E CB 0.000 29.729 29.700 0.048 0.000 0.812 312 E HN 0.000 nan 8.360 nan 0.000 0.440