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 1h3f_1_B DATA FIRST_RESID 5 DATA SEQUENCE GHTPEEALAL LKRGAEEIVP EEELLAKLKE GRPLTVKLGA DPTRPDLHLG DATA SEQUENCE HAVVLRKMRQ FQELGHKVVL IIGDFTGMIX XXXXXXXXXX XXTLEETREN DATA SEQUENCE AKTYVAQAGK ILRQEPHLFE LRYNSEWLEG LTFKEVVRLT SLMTVAQMLE DATA SEQUENCE REDFKKRYEA GIPISLHELL YPFAQAYDSV AIRADVEMGG TDQRFNLLVG DATA SEQUENCE REVQRAYGQS PQVCFLMPLL VGLDGREKMS KSLDNYIGLT EPPEAMFKKL DATA SEQUENCE MRVPDPLLPS YFRLLTDLEE EEIEALLKAG PVPAHRVLAR LLTAAYALPQ DATA SEQUENCE IPPRIDRAFY ESLGYAWEAF GRDKEAGPEE VRRAEARYDX XXXXXXXXEI DATA SEQUENCE PEVTIPASEL KEGRIWVARL FTLAGLTPSN AEARRLIQNR GLRLDGEVLT DATA SEQUENCE DPMLQVDLSR PRILQRGKDR FVRVRLSD 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 5 G HA2 0.000 nan 3.960 nan 0.000 0.244 5 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 5 G C 0.000 174.697 174.900 -0.339 0.000 0.946 5 G CA 0.000 45.027 45.100 -0.122 0.000 0.502 6 H N 0.168 119.239 119.070 0.002 0.000 2.894 6 H HA 0.658 5.214 4.556 -0.000 0.000 0.367 6 H C 0.311 175.647 175.328 0.013 0.000 1.144 6 H CA -0.125 55.926 56.048 0.005 0.000 1.180 6 H CB 1.939 31.705 29.762 0.006 0.000 1.758 6 H HN 0.256 nan 8.280 nan 0.000 0.541 7 T N -0.500 114.129 114.554 0.125 0.000 2.847 7 T HA 0.208 4.557 4.350 -0.000 0.000 0.279 7 T C -1.773 172.982 174.700 0.093 0.000 0.984 7 T CA -1.971 60.178 62.100 0.082 0.000 0.988 7 T CB 1.404 70.301 68.868 0.048 0.000 1.040 7 T HN 0.250 nan 8.240 nan 0.000 0.528 8 P HA -0.063 nan 4.420 nan 0.000 0.215 8 P C 1.242 178.573 177.300 0.052 0.000 1.153 8 P CA 1.033 64.173 63.100 0.067 0.000 0.853 8 P CB 0.052 31.785 31.700 0.055 0.000 0.788 9 E N -0.270 119.956 120.200 0.043 0.000 2.077 9 E HA -0.178 4.171 4.350 -0.000 0.000 0.193 9 E C 1.936 178.559 176.600 0.037 0.000 0.989 9 E CA 1.220 57.639 56.400 0.032 0.000 0.800 9 E CB -0.798 28.917 29.700 0.025 0.000 0.746 9 E HN 0.403 nan 8.360 nan 0.000 0.452 10 E N 0.369 120.606 120.200 0.060 0.000 2.077 10 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 10 E C 2.060 178.698 176.600 0.064 0.000 0.989 10 E CA 1.014 57.467 56.400 0.089 0.000 0.800 10 E CB -0.203 29.591 29.700 0.156 0.000 0.746 10 E HN 0.278 nan 8.360 nan 0.000 0.452 11 A N 1.348 124.194 122.820 0.044 0.000 1.883 11 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 11 A C 2.212 179.757 177.584 -0.065 0.000 1.186 11 A CA 1.373 53.380 52.037 -0.050 0.000 0.624 11 A CB -0.704 18.299 19.000 0.005 0.000 0.822 11 A HN 0.255 nan 8.150 nan 0.000 0.444 12 L N -0.231 120.981 121.223 -0.017 0.000 2.042 12 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 12 L C 2.655 179.514 176.870 -0.019 0.000 1.076 12 L CA 2.328 57.160 54.840 -0.013 0.000 0.749 12 L CB -0.753 41.309 42.059 0.005 0.000 0.893 12 L HN 0.357 nan 8.230 nan 0.000 0.432 13 A N -0.467 122.346 122.820 -0.011 0.000 1.902 13 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 13 A C 2.255 179.827 177.584 -0.020 0.000 1.181 13 A CA 2.067 54.099 52.037 -0.009 0.000 0.623 13 A CB -0.927 18.076 19.000 0.004 0.000 0.818 13 A HN 0.522 nan 8.150 nan 0.000 0.443 14 L N -0.769 120.429 121.223 -0.041 0.000 2.017 14 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 14 L C 2.543 179.367 176.870 -0.077 0.000 1.073 14 L CA 1.161 55.961 54.840 -0.067 0.000 0.745 14 L CB -0.585 41.399 42.059 -0.125 0.000 0.894 14 L HN 0.359 nan 8.230 nan 0.000 0.432 15 L N -0.441 120.718 121.223 -0.108 0.000 2.131 15 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 15 L C 2.542 179.491 176.870 0.133 0.000 1.092 15 L CA 1.187 55.982 54.840 -0.076 0.000 0.759 15 L CB -0.430 41.523 42.059 -0.177 0.000 0.903 15 L HN 0.213 nan 8.230 nan 0.000 0.435 16 K N 0.033 120.463 120.400 0.051 0.000 2.211 16 K HA -0.049 4.270 4.320 -0.000 0.000 0.203 16 K C 0.520 177.140 176.600 0.034 0.000 1.050 16 K CA 0.418 56.717 56.287 0.021 0.000 0.945 16 K CB 0.024 32.511 32.500 -0.022 0.000 0.732 16 K HN 0.256 nan 8.250 nan 0.000 0.451 17 R N 0.374 120.893 120.500 0.031 0.000 2.502 17 R HA -0.045 4.294 4.340 -0.000 0.000 0.292 17 R C 0.956 177.288 176.300 0.054 0.000 0.998 17 R CA 0.761 56.879 56.100 0.029 0.000 1.056 17 R CB 0.133 30.441 30.300 0.013 0.000 0.939 17 R HN 0.483 nan 8.270 nan 0.000 0.411 18 G N 1.541 110.369 108.800 0.047 0.000 2.267 18 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.257 18 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.257 18 G C 0.352 175.296 174.900 0.074 0.000 0.998 18 G CA 0.081 45.216 45.100 0.059 0.000 0.620 18 G HN 0.886 nan 8.290 nan 0.000 0.529 19 A N 0.199 123.070 122.820 0.086 0.000 2.462 19 A HA 0.613 4.933 4.320 -0.000 0.000 0.243 19 A C 1.179 178.760 177.584 -0.005 0.000 1.076 19 A CA 1.459 53.536 52.037 0.068 0.000 0.773 19 A CB 0.546 19.506 19.000 -0.067 0.000 1.010 19 A HN 0.825 nan 8.150 nan 0.000 0.493 20 E N 1.008 121.205 120.200 -0.004 0.000 2.102 20 E HA 0.048 4.398 4.350 -0.000 0.000 0.190 20 E C 0.407 176.973 176.600 -0.057 0.000 0.971 20 E CA 1.439 57.829 56.400 -0.016 0.000 0.821 20 E CB 0.169 29.873 29.700 0.006 0.000 0.777 20 E HN 0.735 nan 8.360 nan 0.000 0.460 21 E N -0.354 119.784 120.200 -0.104 0.000 2.388 21 E HA 0.302 4.651 4.350 -0.000 0.000 0.289 21 E C -1.517 174.932 176.600 -0.251 0.000 0.944 21 E CA -0.374 55.942 56.400 -0.139 0.000 0.792 21 E CB 0.864 30.516 29.700 -0.078 0.000 1.239 21 E HN 0.137 nan 8.360 nan 0.000 0.412 22 I N 4.639 125.035 120.570 -0.290 0.000 2.382 22 I HA 0.413 4.583 4.170 -0.000 0.000 0.286 22 I C -0.870 175.138 176.117 -0.181 0.000 1.002 22 I CA -1.047 60.034 61.300 -0.365 0.000 1.135 22 I CB 1.850 39.562 38.000 -0.481 0.000 1.288 22 I HN 0.296 nan 8.210 nan 0.000 0.448 23 V N 9.172 129.012 119.914 -0.123 0.000 2.569 23 V HA 0.589 4.708 4.120 -0.000 0.000 0.301 23 V C -2.687 173.376 176.094 -0.052 0.000 1.044 23 V CA -1.895 60.360 62.300 -0.076 0.000 0.874 23 V CB 2.718 34.503 31.823 -0.064 0.000 1.002 23 V HN 0.442 nan 8.190 nan 0.000 0.424 24 P HA 0.399 nan 4.420 nan 0.000 0.297 24 P C 0.368 177.643 177.300 -0.042 0.000 1.319 24 P CA -0.188 62.887 63.100 -0.042 0.000 0.810 24 P CB 1.403 33.085 31.700 -0.030 0.000 0.947 25 E N 3.209 123.376 120.200 -0.055 0.000 2.153 25 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 25 E C 1.458 178.043 176.600 -0.026 0.000 0.988 25 E CA 1.093 57.461 56.400 -0.053 0.000 0.811 25 E CB 0.193 29.854 29.700 -0.065 0.000 0.746 25 E HN 0.489 nan 8.360 nan 0.000 0.466 26 E N 0.696 120.883 120.200 -0.022 0.000 2.150 26 E HA -0.266 4.084 4.350 -0.000 0.000 0.193 26 E C 1.857 178.453 176.600 -0.006 0.000 0.985 26 E CA 1.280 57.673 56.400 -0.012 0.000 0.814 26 E CB -0.352 29.341 29.700 -0.012 0.000 0.752 26 E HN 0.423 nan 8.360 nan 0.000 0.466 27 E N 0.550 120.745 120.200 -0.008 0.000 2.150 27 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 27 E C 2.186 178.790 176.600 0.007 0.000 0.985 27 E CA 0.521 56.918 56.400 -0.004 0.000 0.814 27 E CB -0.008 29.686 29.700 -0.010 0.000 0.752 27 E HN 0.220 nan 8.360 nan 0.000 0.466 28 L N 0.862 122.094 121.223 0.015 0.000 2.056 28 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 28 L C 2.209 179.101 176.870 0.038 0.000 1.078 28 L CA 1.314 56.180 54.840 0.043 0.000 0.749 28 L CB -0.687 41.419 42.059 0.078 0.000 0.901 28 L HN 0.283 nan 8.230 nan 0.000 0.433 29 L N -0.010 121.227 121.223 0.024 0.000 2.046 29 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 29 L C 2.498 179.383 176.870 0.025 0.000 1.077 29 L CA 2.099 56.953 54.840 0.024 0.000 0.747 29 L CB -1.166 40.901 42.059 0.014 0.000 0.896 29 L HN 0.289 nan 8.230 nan 0.000 0.432 30 A N -0.611 122.220 122.820 0.017 0.000 1.877 30 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 30 A C 2.354 179.950 177.584 0.021 0.000 1.186 30 A CA 2.047 54.094 52.037 0.016 0.000 0.620 30 A CB -0.538 18.467 19.000 0.008 0.000 0.822 30 A HN 0.509 nan 8.150 nan 0.000 0.443 31 K N -0.520 119.892 120.400 0.019 0.000 2.148 31 K HA 0.061 4.380 4.320 -0.000 0.000 0.204 31 K C 1.625 178.250 176.600 0.042 0.000 1.050 31 K CA 0.952 57.252 56.287 0.020 0.000 0.942 31 K CB -0.279 32.223 32.500 0.003 0.000 0.724 31 K HN 0.455 nan 8.250 nan 0.000 0.446 32 L N 0.667 121.919 121.223 0.049 0.000 2.376 32 L HA -0.114 4.225 4.340 -0.000 0.000 0.219 32 L C 1.620 178.542 176.870 0.087 0.000 1.133 32 L CA 1.009 55.898 54.840 0.082 0.000 0.816 32 L CB -0.041 42.062 42.059 0.072 0.000 0.933 32 L HN 0.074 nan 8.230 nan 0.000 0.449 33 K N -0.355 120.081 120.400 0.059 0.000 2.374 33 K HA 0.020 4.339 4.320 -0.000 0.000 0.196 33 K C 1.223 177.852 176.600 0.047 0.000 1.023 33 K CA 0.066 56.384 56.287 0.051 0.000 1.103 33 K CB 0.318 32.840 32.500 0.036 0.000 0.848 33 K HN 0.266 nan 8.250 nan 0.000 0.528 34 E N 0.499 120.730 120.200 0.052 0.000 2.511 34 E HA -0.031 4.319 4.350 -0.000 0.000 0.196 34 E C 0.583 177.213 176.600 0.050 0.000 1.066 34 E CA 0.157 56.583 56.400 0.044 0.000 0.871 34 E CB 0.078 29.801 29.700 0.038 0.000 0.863 34 E HN 0.422 nan 8.360 nan 0.000 0.520 35 G N 2.692 111.531 108.800 0.065 0.000 2.323 35 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.292 35 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.292 35 G C -0.012 174.924 174.900 0.059 0.000 1.040 35 G CA 1.033 46.168 45.100 0.059 0.000 0.942 35 G HN 0.374 nan 8.290 nan 0.000 0.506 36 R N -1.211 119.338 120.500 0.081 0.000 2.707 36 R HA 0.727 5.067 4.340 -0.000 0.000 0.272 36 R C -3.027 173.342 176.300 0.114 0.000 1.011 36 R CA -2.025 54.119 56.100 0.072 0.000 0.893 36 R CB 1.604 31.935 30.300 0.052 0.000 1.233 36 R HN 0.048 nan 8.270 nan 0.000 0.464 37 P HA 0.120 nan 4.420 nan 0.000 0.271 37 P C -0.547 176.858 177.300 0.175 0.000 1.220 37 P CA -0.170 62.997 63.100 0.111 0.000 0.768 37 P CB 0.836 32.508 31.700 -0.048 0.000 0.848 38 L N 2.596 124.038 121.223 0.363 0.000 2.375 38 L HA 0.279 4.619 4.340 -0.000 0.000 0.271 38 L C 0.998 177.836 176.870 -0.054 0.000 1.107 38 L CA -0.324 54.544 54.840 0.046 0.000 0.806 38 L CB 0.571 42.542 42.059 -0.147 0.000 1.146 38 L HN 0.301 nan 8.230 nan 0.000 0.447 39 T N 2.384 116.868 114.554 -0.116 0.000 2.728 39 T HA 0.306 4.656 4.350 -0.000 0.000 0.296 39 T C -0.076 174.486 174.700 -0.229 0.000 0.940 39 T CA -0.326 61.683 62.100 -0.152 0.000 1.013 39 T CB 0.796 69.581 68.868 -0.138 0.000 0.912 39 T HN 0.201 nan 8.240 nan 0.000 0.484 40 V N 5.428 125.176 119.914 -0.277 0.000 2.328 40 V HA 0.362 4.481 4.120 -0.000 0.000 0.278 40 V C 0.422 176.369 176.094 -0.244 0.000 1.021 40 V CA -0.861 61.212 62.300 -0.378 0.000 0.838 40 V CB 1.073 32.531 31.823 -0.607 0.000 0.999 40 V HN 0.693 nan 8.190 nan 0.000 0.447 41 K N 4.766 125.044 120.400 -0.202 0.000 2.172 41 K HA 0.662 4.982 4.320 -0.000 0.000 0.276 41 K C -1.404 175.138 176.600 -0.098 0.000 1.013 41 K CA -0.625 55.580 56.287 -0.137 0.000 0.913 41 K CB 1.405 33.833 32.500 -0.120 0.000 1.055 41 K HN 0.498 nan 8.250 nan 0.000 0.461 42 L N 2.954 124.137 121.223 -0.066 0.000 2.470 42 L HA 0.512 4.851 4.340 -0.000 0.000 0.268 42 L C -0.902 175.945 176.870 -0.038 0.000 0.964 42 L CA -0.033 54.789 54.840 -0.030 0.000 0.839 42 L CB 1.920 43.985 42.059 0.011 0.000 1.276 42 L HN 0.713 nan 8.230 nan 0.000 0.403 43 G N 3.394 112.172 108.800 -0.036 0.000 2.371 43 G HA2 0.764 4.724 3.960 -0.000 0.000 0.326 43 G HA3 0.764 4.724 3.960 -0.000 0.000 0.326 43 G C -1.258 173.582 174.900 -0.100 0.000 1.127 43 G CA -0.077 44.986 45.100 -0.062 0.000 0.885 43 G HN 1.001 nan 8.290 nan 0.000 0.477 44 A N 1.802 124.499 122.820 -0.204 0.000 2.386 44 A HA 0.621 4.941 4.320 -0.000 0.000 0.311 44 A C -0.859 176.553 177.584 -0.287 0.000 1.068 44 A CA -0.659 51.188 52.037 -0.315 0.000 0.743 44 A CB 1.796 20.330 19.000 -0.776 0.000 1.258 44 A HN 0.582 nan 8.150 nan 0.000 0.429 45 D N 3.240 123.518 120.400 -0.203 0.000 2.336 45 D HA 0.257 4.897 4.640 -0.000 0.000 0.249 45 D C -1.304 174.902 176.300 -0.157 0.000 1.213 45 D CA -1.776 52.138 54.000 -0.144 0.000 0.870 45 D CB 1.219 41.974 40.800 -0.075 0.000 1.076 45 D HN 0.231 nan 8.370 nan 0.000 0.483 46 P HA -0.101 nan 4.420 nan 0.000 0.231 46 P C 0.820 178.091 177.300 -0.049 0.000 1.158 46 P CA 0.805 63.846 63.100 -0.099 0.000 0.763 46 P CB -0.045 31.617 31.700 -0.063 0.000 0.805 47 T N -4.244 110.283 114.554 -0.045 0.000 3.107 47 T HA 0.217 4.567 4.350 -0.000 0.000 0.249 47 T C 0.975 175.668 174.700 -0.011 0.000 1.096 47 T CA -0.158 61.928 62.100 -0.023 0.000 1.012 47 T CB -0.219 68.635 68.868 -0.023 0.000 0.977 47 T HN -0.151 nan 8.240 nan 0.000 0.527 48 R N 1.897 122.391 120.500 -0.010 0.000 2.681 48 R HA 0.370 4.710 4.340 -0.000 0.000 0.277 48 R C -1.952 174.359 176.300 0.019 0.000 1.563 48 R CA -2.019 54.085 56.100 0.007 0.000 1.673 48 R CB 1.087 31.410 30.300 0.038 0.000 1.258 48 R HN 0.173 nan 8.270 nan 0.000 0.650 49 P HA -0.042 nan 4.420 nan 0.000 0.222 49 P C -0.789 176.487 177.300 -0.040 0.000 1.153 49 P CA 0.523 63.663 63.100 0.066 0.000 0.798 49 P CB 0.378 32.106 31.700 0.047 0.000 0.796 50 D N 1.019 121.367 120.400 -0.086 0.000 2.348 50 D HA 0.283 4.923 4.640 -0.000 0.000 0.253 50 D C 0.131 176.268 176.300 -0.271 0.000 1.161 50 D CA 0.022 53.943 54.000 -0.131 0.000 0.876 50 D CB 0.587 41.340 40.800 -0.078 0.000 1.160 50 D HN 0.072 nan 8.370 nan 0.000 0.459 51 L N 2.620 123.652 121.223 -0.319 0.000 2.334 51 L HA 0.579 4.918 4.340 -0.000 0.000 0.275 51 L C 0.030 176.839 176.870 -0.101 0.000 1.036 51 L CA -0.987 53.573 54.840 -0.467 0.000 0.807 51 L CB 0.996 42.749 42.059 -0.511 0.000 1.231 51 L HN 0.626 nan 8.230 nan 0.000 0.438 52 H N -0.703 118.507 119.070 0.233 0.000 2.906 52 H HA 0.437 4.993 4.556 -0.001 0.000 0.337 52 H C 0.455 175.800 175.328 0.028 0.000 1.257 52 H CA -1.065 55.055 56.048 0.119 0.000 1.192 52 H CB 0.766 30.629 29.762 0.169 0.000 1.912 52 H HN 0.345 nan 8.280 nan 0.000 0.573 53 L N 0.022 121.338 121.223 0.156 0.000 2.189 53 L HA -0.127 4.212 4.340 -0.000 0.000 0.214 53 L C 2.385 179.270 176.870 0.024 0.000 1.097 53 L CA 1.636 56.457 54.840 -0.033 0.000 0.764 53 L CB -0.757 41.232 42.059 -0.117 0.000 0.900 53 L HN 0.997 nan 8.230 nan 0.000 0.436 54 G N -0.874 108.092 108.800 0.276 0.000 2.422 54 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.218 54 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.218 54 G C 1.128 175.954 174.900 -0.123 0.000 1.146 54 G CA 0.765 45.911 45.100 0.077 0.000 0.769 54 G HN 0.461 nan 8.290 nan 0.000 0.547 55 H N 0.435 119.439 119.070 -0.111 0.000 2.462 55 H HA 0.274 4.830 4.556 -0.001 0.000 0.292 55 H C 2.737 178.016 175.328 -0.080 0.000 1.049 55 H CA 0.814 56.778 56.048 -0.140 0.000 1.334 55 H CB 0.043 29.655 29.762 -0.249 0.000 1.404 55 H HN 0.407 nan 8.280 nan 0.000 0.544 56 A N 0.590 123.426 122.820 0.028 0.000 2.019 56 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 56 A C 2.410 180.009 177.584 0.025 0.000 1.164 56 A CA 1.179 53.234 52.037 0.030 0.000 0.644 56 A CB -0.700 18.311 19.000 0.018 0.000 0.805 56 A HN 0.246 nan 8.150 nan 0.000 0.449 57 V N -0.618 119.293 119.914 -0.005 0.000 2.233 57 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 57 V C 2.531 178.637 176.094 0.019 0.000 1.050 57 V CA 2.248 64.546 62.300 -0.005 0.000 1.010 57 V CB -0.834 30.974 31.823 -0.024 0.000 0.637 57 V HN 0.374 nan 8.190 nan 0.000 0.444 58 V N -0.521 119.409 119.914 0.026 0.000 2.453 58 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 58 V C 2.248 178.359 176.094 0.028 0.000 1.048 58 V CA 1.589 63.909 62.300 0.033 0.000 1.049 58 V CB -0.401 31.449 31.823 0.045 0.000 0.672 58 V HN 0.428 nan 8.190 nan 0.000 0.457 59 L N -0.540 120.708 121.223 0.041 0.000 2.083 59 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 59 L C 2.676 179.562 176.870 0.027 0.000 1.083 59 L CA 1.619 56.482 54.840 0.039 0.000 0.752 59 L CB -0.522 41.555 42.059 0.030 0.000 0.899 59 L HN 0.205 nan 8.230 nan 0.000 0.433 60 R N 0.132 120.647 120.500 0.025 0.000 2.148 60 R HA -0.166 4.174 4.340 -0.000 0.000 0.223 60 R C 2.272 178.567 176.300 -0.008 0.000 1.088 60 R CA 0.883 56.988 56.100 0.009 0.000 0.985 60 R CB 0.076 30.387 30.300 0.018 0.000 0.880 60 R HN 0.025 nan 8.270 nan 0.000 0.451 61 K N 0.538 120.931 120.400 -0.011 0.000 2.097 61 K HA -0.050 4.270 4.320 -0.000 0.000 0.205 61 K C 1.748 178.351 176.600 0.005 0.000 1.050 61 K CA 1.553 57.809 56.287 -0.052 0.000 0.938 61 K CB -0.048 32.397 32.500 -0.092 0.000 0.718 61 K HN 0.093 nan 8.250 nan 0.000 0.442 62 M N -0.178 119.451 119.600 0.048 0.000 2.175 62 M HA -0.090 4.389 4.480 -0.000 0.000 0.264 62 M C 2.113 178.486 176.300 0.122 0.000 1.063 62 M CA 1.495 56.867 55.300 0.120 0.000 1.119 62 M CB -0.145 32.488 32.600 0.055 0.000 1.377 62 M HN 0.005 nan 8.290 nan 0.000 0.415 63 R N 0.750 121.280 120.500 0.050 0.000 2.096 63 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 63 R C 1.849 178.157 176.300 0.013 0.000 1.127 63 R CA 1.816 57.929 56.100 0.023 0.000 0.968 63 R CB -0.495 29.794 30.300 -0.018 0.000 0.861 63 R HN 0.448 nan 8.270 nan 0.000 0.440 64 Q N -1.163 118.622 119.800 -0.024 0.000 2.124 64 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 64 Q C 1.856 177.810 176.000 -0.076 0.000 0.977 64 Q CA 1.641 57.387 55.803 -0.096 0.000 0.850 64 Q CB -0.185 28.441 28.738 -0.186 0.000 0.901 64 Q HN 0.303 nan 8.270 nan 0.000 0.429 65 F N 1.329 121.252 119.950 -0.045 0.000 2.134 65 F HA -0.223 4.304 4.527 -0.000 0.000 0.299 65 F C 2.387 178.231 175.800 0.074 0.000 1.097 65 F CA 1.468 59.485 58.000 0.028 0.000 1.264 65 F CB -0.177 38.797 39.000 -0.044 0.000 1.001 65 F HN 0.100 nan 8.300 nan 0.000 0.479 66 Q N -0.304 119.621 119.800 0.208 0.000 2.084 66 Q HA -0.184 4.155 4.340 -0.000 0.000 0.202 66 Q C 2.001 178.031 176.000 0.049 0.000 0.978 66 Q CA 1.368 57.236 55.803 0.109 0.000 0.844 66 Q CB -0.251 28.536 28.738 0.082 0.000 0.898 66 Q HN 0.326 nan 8.270 nan 0.000 0.426 67 E N 0.551 120.766 120.200 0.024 0.000 2.268 67 E HA -0.098 4.252 4.350 -0.000 0.000 0.195 67 E C 1.635 178.222 176.600 -0.023 0.000 0.995 67 E CA 0.724 57.121 56.400 -0.006 0.000 0.836 67 E CB 0.092 29.775 29.700 -0.028 0.000 0.763 67 E HN 0.408 nan 8.360 nan 0.000 0.491 68 L N -0.562 120.644 121.223 -0.028 0.000 2.592 68 L HA 0.147 4.487 4.340 -0.000 0.000 0.227 68 L C 1.207 177.958 176.870 -0.198 0.000 1.127 68 L CA 0.418 55.217 54.840 -0.067 0.000 0.884 68 L CB 0.085 42.149 42.059 0.007 0.000 1.065 68 L HN 0.200 nan 8.230 nan 0.000 0.457 69 G N -0.944 107.754 108.800 -0.170 0.000 2.144 69 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.218 69 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.218 69 G C 0.132 174.795 174.900 -0.395 0.000 0.988 69 G CA -0.503 44.454 45.100 -0.238 0.000 0.659 69 G HN 0.363 nan 8.290 nan 0.000 0.522 70 H N -0.054 119.034 119.070 0.030 0.000 2.496 70 H HA 0.542 5.098 4.556 -0.000 0.000 0.342 70 H C 0.146 175.432 175.328 -0.069 0.000 1.170 70 H CA -0.128 55.919 56.048 -0.002 0.000 1.274 70 H CB 1.567 31.398 29.762 0.115 0.000 1.538 70 H HN 0.254 nan 8.280 nan 0.000 0.542 71 K N 1.561 121.962 120.400 0.001 0.000 2.213 71 K HA 0.339 4.659 4.320 -0.000 0.000 0.270 71 K C -1.013 175.542 176.600 -0.074 0.000 1.002 71 K CA -0.571 55.675 56.287 -0.070 0.000 0.868 71 K CB 0.896 33.319 32.500 -0.130 0.000 1.093 71 K HN 0.219 nan 8.250 nan 0.000 0.454 72 V N 4.698 124.593 119.914 -0.032 0.000 2.465 72 V HA 0.234 4.353 4.120 -0.000 0.000 0.279 72 V C -0.434 175.547 176.094 -0.189 0.000 1.045 72 V CA -0.711 61.558 62.300 -0.053 0.000 0.938 72 V CB 1.566 33.462 31.823 0.123 0.000 0.986 72 V HN 0.511 nan 8.190 nan 0.000 0.467 73 V N 6.489 126.280 119.914 -0.204 0.000 2.350 73 V HA 0.361 4.481 4.120 -0.000 0.000 0.285 73 V C -0.375 175.591 176.094 -0.214 0.000 1.014 73 V CA -0.537 61.604 62.300 -0.265 0.000 0.831 73 V CB 1.485 33.196 31.823 -0.187 0.000 1.000 73 V HN 0.650 nan 8.190 nan 0.000 0.433 74 L N 7.311 128.355 121.223 -0.298 0.000 2.265 74 L HA 0.594 4.933 4.340 -0.000 0.000 0.288 74 L C -0.382 176.383 176.870 -0.174 0.000 1.058 74 L CA 0.351 55.105 54.840 -0.143 0.000 0.809 74 L CB 0.807 42.874 42.059 0.013 0.000 1.179 74 L HN 0.511 nan 8.230 nan 0.000 0.429 75 I N 6.510 126.998 120.570 -0.136 0.000 2.355 75 I HA 0.291 4.461 4.170 -0.000 0.000 0.288 75 I C -0.409 175.566 176.117 -0.236 0.000 0.999 75 I CA -0.698 60.520 61.300 -0.137 0.000 1.163 75 I CB 1.317 39.325 38.000 0.013 0.000 1.316 75 I HN 0.387 nan 8.210 nan 0.000 0.454 76 I N 5.385 125.726 120.570 -0.382 0.000 2.396 76 I HA 0.116 4.285 4.170 -0.000 0.000 0.289 76 I C 1.276 177.254 176.117 -0.231 0.000 1.056 76 I CA 0.124 61.184 61.300 -0.400 0.000 1.365 76 I CB 0.843 38.476 38.000 -0.612 0.000 1.407 76 I HN 0.666 nan 8.210 nan 0.000 0.509 77 G N 5.820 114.518 108.800 -0.170 0.000 3.316 77 G HA2 0.043 4.003 3.960 -0.000 0.000 0.255 77 G HA3 0.043 4.003 3.960 -0.000 0.000 0.255 77 G C 0.922 175.790 174.900 -0.052 0.000 0.880 77 G CA -0.364 44.681 45.100 -0.091 0.000 1.956 77 G HN 0.768 nan 8.290 nan 0.000 0.634 78 D N 0.527 120.923 120.400 -0.007 0.000 2.224 78 D HA -0.177 4.463 4.640 -0.000 0.000 0.205 78 D C 1.707 178.026 176.300 0.031 0.000 0.965 78 D CA -0.022 53.996 54.000 0.031 0.000 0.852 78 D CB -0.296 40.576 40.800 0.121 0.000 0.947 78 D HN 0.311 nan 8.370 nan 0.000 0.494 79 F N 2.774 122.675 119.950 -0.081 0.000 2.043 79 F HA -0.246 4.281 4.527 -0.000 0.000 0.297 79 F C 2.553 178.336 175.800 -0.028 0.000 1.121 79 F CA 3.045 61.010 58.000 -0.059 0.000 1.199 79 F CB -0.898 38.062 39.000 -0.066 0.000 0.968 79 F HN 0.128 nan 8.300 nan 0.000 0.478 80 T N -2.172 112.319 114.554 -0.105 0.000 2.904 80 T HA 0.008 4.358 4.350 -0.000 0.000 0.267 80 T C 2.306 176.885 174.700 -0.202 0.000 1.059 80 T CA 0.958 62.909 62.100 -0.247 0.000 1.137 80 T CB -1.502 67.110 68.868 -0.427 0.000 0.879 80 T HN 0.336 nan 8.240 nan 0.000 0.467 81 G N 1.716 110.432 108.800 -0.141 0.000 2.440 81 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.218 81 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.218 81 G C 1.471 176.314 174.900 -0.094 0.000 1.154 81 G CA 0.792 45.832 45.100 -0.101 0.000 0.767 81 G HN 0.559 nan 8.290 nan 0.000 0.552 82 M N 0.272 119.802 119.600 -0.117 0.000 2.568 82 M HA 0.376 4.855 4.480 -0.000 0.000 0.226 82 M C -0.028 176.185 176.300 -0.144 0.000 1.148 82 M CA 0.391 55.624 55.300 -0.110 0.000 1.007 82 M CB 0.062 32.604 32.600 -0.097 0.000 1.651 82 M HN 0.123 nan 8.290 nan 0.000 0.488 98 L N 1.036 122.242 121.223 -0.028 0.000 2.353 98 L HA -0.031 4.308 4.340 -0.000 0.000 0.220 98 L C 2.245 179.097 176.870 -0.029 0.000 1.133 98 L CA 1.532 56.352 54.840 -0.034 0.000 0.798 98 L CB -0.092 41.942 42.059 -0.042 0.000 0.922 98 L HN 0.596 nan 8.230 nan 0.000 0.445 99 E N 0.454 120.642 120.200 -0.020 0.000 2.008 99 E HA -0.228 4.122 4.350 -0.000 0.000 0.191 99 E C 1.977 178.575 176.600 -0.004 0.000 0.986 99 E CA 1.751 58.143 56.400 -0.013 0.000 0.807 99 E CB -0.173 29.521 29.700 -0.010 0.000 0.766 99 E HN 0.714 nan 8.360 nan 0.000 0.450 100 E N -0.039 120.160 120.200 -0.002 0.000 2.153 100 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 100 E C 2.024 178.632 176.600 0.014 0.000 0.988 100 E CA 1.379 57.782 56.400 0.005 0.000 0.811 100 E CB -0.499 29.202 29.700 0.001 0.000 0.746 100 E HN 0.044 nan 8.360 nan 0.000 0.466 101 T N 1.274 115.835 114.554 0.010 0.000 2.622 101 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 101 T C 1.859 176.598 174.700 0.065 0.000 1.047 101 T CA 1.427 63.545 62.100 0.030 0.000 1.159 101 T CB -0.144 68.737 68.868 0.022 0.000 0.863 101 T HN 0.141 nan 8.240 nan 0.000 0.422 102 R N 1.099 121.622 120.500 0.038 0.000 2.091 102 R HA -0.079 4.261 4.340 -0.000 0.000 0.238 102 R C 2.402 178.742 176.300 0.067 0.000 1.136 102 R CA 1.467 57.596 56.100 0.049 0.000 0.959 102 R CB -0.530 29.764 30.300 -0.010 0.000 0.856 102 R HN 0.622 nan 8.270 nan 0.000 0.437 103 E N 0.401 120.626 120.200 0.043 0.000 2.051 103 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 103 E C 1.799 178.431 176.600 0.053 0.000 0.991 103 E CA 1.077 57.502 56.400 0.041 0.000 0.799 103 E CB -0.119 29.597 29.700 0.026 0.000 0.748 103 E HN 0.297 nan 8.360 nan 0.000 0.449 104 N N 0.781 119.512 118.700 0.051 0.000 2.188 104 N HA -0.110 4.630 4.740 -0.000 0.000 0.184 104 N C 1.640 177.202 175.510 0.087 0.000 1.018 104 N CA 1.229 54.312 53.050 0.055 0.000 0.858 104 N CB -0.415 38.093 38.487 0.034 0.000 0.989 104 N HN 0.150 nan 8.380 nan 0.000 0.426 105 A N 1.470 124.351 122.820 0.101 0.000 1.908 105 A HA -0.167 4.152 4.320 -0.000 0.000 0.218 105 A C 2.087 179.760 177.584 0.148 0.000 1.181 105 A CA 1.456 53.566 52.037 0.122 0.000 0.627 105 A CB -0.376 18.766 19.000 0.237 0.000 0.818 105 A HN 0.263 nan 8.150 nan 0.000 0.445 106 K N -0.990 119.485 120.400 0.125 0.000 2.057 106 K HA -0.088 4.231 4.320 -0.000 0.000 0.207 106 K C 2.121 178.768 176.600 0.077 0.000 1.049 106 K CA 1.690 58.036 56.287 0.100 0.000 0.931 106 K CB -0.430 32.114 32.500 0.075 0.000 0.714 106 K HN 0.472 nan 8.250 nan 0.000 0.440 107 T N 0.624 115.220 114.554 0.070 0.000 2.708 107 T HA -0.198 4.152 4.350 -0.000 0.000 0.266 107 T C 1.612 176.329 174.700 0.028 0.000 1.037 107 T CA 1.365 63.489 62.100 0.039 0.000 1.146 107 T CB -0.436 68.452 68.868 0.034 0.000 0.865 107 T HN 0.262 nan 8.240 nan 0.000 0.435 108 Y N 1.815 122.085 120.300 -0.050 0.000 2.145 108 Y HA -0.170 4.379 4.550 -0.000 0.000 0.286 108 Y C 2.336 178.200 175.900 -0.060 0.000 1.145 108 Y CA 0.942 58.993 58.100 -0.082 0.000 1.148 108 Y CB -0.656 37.752 38.460 -0.088 0.000 0.981 108 Y HN -0.037 nan 8.280 nan 0.000 0.507 109 V N 0.487 120.520 119.914 0.199 0.000 2.343 109 V HA -0.336 3.784 4.120 -0.000 0.000 0.247 109 V C 2.676 178.747 176.094 -0.037 0.000 1.051 109 V CA 1.766 64.136 62.300 0.117 0.000 1.036 109 V CB -1.632 30.289 31.823 0.164 0.000 0.654 109 V HN 0.581 nan 8.190 nan 0.000 0.451 110 A N -0.813 121.992 122.820 -0.026 0.000 1.883 110 A HA -0.307 4.012 4.320 -0.000 0.000 0.217 110 A C 2.191 179.717 177.584 -0.095 0.000 1.186 110 A CA 2.120 54.128 52.037 -0.049 0.000 0.624 110 A CB -0.495 18.492 19.000 -0.021 0.000 0.822 110 A HN 0.619 nan 8.150 nan 0.000 0.444 111 Q N -1.027 118.689 119.800 -0.141 0.000 2.123 111 Q HA 0.015 4.355 4.340 -0.000 0.000 0.199 111 Q C 2.344 178.211 176.000 -0.222 0.000 0.966 111 Q CA 1.023 56.722 55.803 -0.173 0.000 0.845 111 Q CB -0.306 28.303 28.738 -0.214 0.000 0.907 111 Q HN 0.685 nan 8.270 nan 0.000 0.439 112 A N 0.686 123.308 122.820 -0.329 0.000 2.015 112 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 112 A C 2.149 179.610 177.584 -0.204 0.000 1.163 112 A CA 1.384 53.237 52.037 -0.306 0.000 0.646 112 A CB -0.805 17.994 19.000 -0.336 0.000 0.806 112 A HN 0.462 nan 8.150 nan 0.000 0.448 113 G N -0.498 108.182 108.800 -0.200 0.000 2.559 113 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.216 113 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.216 113 G C 1.456 176.276 174.900 -0.133 0.000 1.126 113 G CA 0.780 45.759 45.100 -0.202 0.000 0.778 113 G HN 0.597 nan 8.290 nan 0.000 0.543 114 K N -0.526 119.820 120.400 -0.089 0.000 2.288 114 K HA 0.196 4.516 4.320 -0.000 0.000 0.201 114 K C 1.802 178.371 176.600 -0.052 0.000 1.048 114 K CA 0.502 56.765 56.287 -0.041 0.000 0.956 114 K CB 0.085 32.609 32.500 0.042 0.000 0.746 114 K HN 0.382 nan 8.250 nan 0.000 0.461 115 I N -0.111 120.426 120.570 -0.055 0.000 3.565 115 I HA 0.028 4.198 4.170 -0.000 0.000 0.287 115 I C 0.411 176.482 176.117 -0.076 0.000 1.193 115 I CA -0.065 61.206 61.300 -0.048 0.000 1.402 115 I CB 0.443 38.450 38.000 0.013 0.000 1.284 115 I HN -0.082 nan 8.210 nan 0.000 0.454 116 L N 2.110 123.269 121.223 -0.107 0.000 2.350 116 L HA 0.339 4.678 4.340 -0.000 0.000 0.275 116 L C 0.282 177.047 176.870 -0.176 0.000 1.099 116 L CA -0.667 54.100 54.840 -0.121 0.000 0.808 116 L CB 0.506 42.478 42.059 -0.145 0.000 1.149 116 L HN 0.108 nan 8.230 nan 0.000 0.442 117 R N 1.842 122.277 120.500 -0.108 0.000 2.694 117 R HA 0.061 4.400 4.340 -0.000 0.000 0.268 117 R C 0.305 176.491 176.300 -0.189 0.000 1.061 117 R CA -0.141 55.903 56.100 -0.094 0.000 1.133 117 R CB 0.786 31.080 30.300 -0.011 0.000 1.020 117 R HN 0.600 nan 8.270 nan 0.000 0.475 118 Q N 0.711 120.410 119.800 -0.168 0.000 2.214 118 Q HA 0.034 4.374 4.340 -0.000 0.000 0.229 118 Q C 0.021 176.053 176.000 0.053 0.000 0.835 118 Q CA 0.185 55.852 55.803 -0.226 0.000 0.953 118 Q CB 0.676 29.261 28.738 -0.255 0.000 1.131 118 Q HN 0.644 nan 8.270 nan 0.000 0.501 119 E N 1.446 121.694 120.200 0.079 0.000 2.398 119 E HA 0.047 4.397 4.350 -0.000 0.000 0.263 119 E C -1.999 174.708 176.600 0.179 0.000 1.046 119 E CA -1.590 54.881 56.400 0.118 0.000 0.908 119 E CB 0.829 30.585 29.700 0.094 0.000 0.963 119 E HN -0.201 nan 8.360 nan 0.000 0.431 120 P HA -0.258 nan 4.420 nan 0.000 0.218 120 P C 1.197 178.583 177.300 0.143 0.000 1.154 120 P CA 1.624 64.808 63.100 0.141 0.000 0.872 120 P CB -0.157 31.608 31.700 0.109 0.000 0.790 121 H N -0.709 118.393 119.070 0.054 0.000 2.457 121 H HA 0.004 4.560 4.556 -0.000 0.000 0.294 121 H C 1.298 176.654 175.328 0.047 0.000 1.064 121 H CA 1.012 57.082 56.048 0.037 0.000 1.330 121 H CB -0.043 29.734 29.762 0.024 0.000 1.395 121 H HN 0.141 nan 8.280 nan 0.000 0.541 122 L N -0.744 120.501 121.223 0.036 0.000 2.858 122 L HA 0.211 4.550 4.340 -0.000 0.000 0.251 122 L C -0.730 176.224 176.870 0.140 0.000 1.149 122 L CA -0.180 54.664 54.840 0.007 0.000 0.955 122 L CB 0.788 42.886 42.059 0.065 0.000 1.289 122 L HN 0.011 nan 8.230 nan 0.000 0.542 123 F N 0.693 120.629 119.950 -0.023 0.000 2.628 123 F HA 0.525 5.052 4.527 -0.001 0.000 0.309 123 F C -1.095 174.704 175.800 -0.001 0.000 1.108 123 F CA -0.571 57.422 58.000 -0.013 0.000 0.971 123 F CB 1.807 40.808 39.000 0.001 0.000 1.279 123 F HN -0.152 nan 8.300 nan 0.000 0.441 124 E N 5.435 125.115 120.200 -0.866 0.000 2.304 124 E HA 0.508 4.858 4.350 -0.000 0.000 0.277 124 E C -2.337 173.775 176.600 -0.813 0.000 0.898 124 E CA -0.933 55.120 56.400 -0.579 0.000 0.764 124 E CB 2.158 31.699 29.700 -0.264 0.000 1.216 124 E HN 0.694 nan 8.360 nan 0.000 0.419 125 L N 4.104 125.058 121.223 -0.448 0.000 2.307 125 L HA 0.632 4.971 4.340 -0.000 0.000 0.284 125 L C -1.219 175.570 176.870 -0.135 0.000 1.023 125 L CA -0.204 54.465 54.840 -0.285 0.000 0.810 125 L CB 0.974 43.017 42.059 -0.027 0.000 1.231 125 L HN 0.513 nan 8.230 nan 0.000 0.423 126 R N 3.752 124.146 120.500 -0.176 0.000 2.808 126 R HA 0.453 4.793 4.340 -0.000 0.000 0.272 126 R C -1.735 174.400 176.300 -0.274 0.000 0.995 126 R CA -0.689 55.387 56.100 -0.040 0.000 0.917 126 R CB 1.631 32.029 30.300 0.162 0.000 1.217 126 R HN 0.522 nan 8.270 nan 0.000 0.471 127 Y N 1.167 121.364 120.300 -0.171 0.000 2.341 127 Y HA 0.139 4.689 4.550 -0.001 0.000 0.338 127 Y C 1.352 176.880 175.900 -0.619 0.000 0.965 127 Y CA -0.986 56.955 58.100 -0.266 0.000 1.108 127 Y CB 1.292 39.641 38.460 -0.184 0.000 1.180 127 Y HN 0.610 nan 8.280 nan 0.000 0.458 128 N N -0.655 117.706 118.700 -0.566 0.000 2.573 128 N HA -0.164 4.576 4.740 -0.000 0.000 0.187 128 N C 1.266 176.181 175.510 -0.991 0.000 1.107 128 N CA 1.168 53.510 53.050 -1.181 0.000 0.918 128 N CB -0.413 37.795 38.487 -0.466 0.000 0.966 128 N HN 0.527 nan 8.380 nan 0.000 0.448 129 S N -0.272 115.179 115.700 -0.415 0.000 2.447 129 S HA -0.143 4.327 4.470 -0.000 0.000 0.233 129 S C 1.676 176.100 174.600 -0.294 0.000 1.006 129 S CA 0.611 58.694 58.200 -0.196 0.000 0.957 129 S CB -0.491 62.721 63.200 0.021 0.000 0.773 129 S HN 0.436 nan 8.310 nan 0.000 0.507 130 E N 0.603 120.567 120.200 -0.392 0.000 2.171 130 E HA -0.195 4.154 4.350 -0.000 0.000 0.197 130 E C 1.493 178.076 176.600 -0.029 0.000 0.997 130 E CA 1.805 58.094 56.400 -0.185 0.000 0.810 130 E CB -0.114 29.525 29.700 -0.102 0.000 0.738 130 E HN 1.005 nan 8.360 nan 0.000 0.467 131 W N -1.709 119.599 121.300 0.014 0.000 2.835 131 W HA 0.310 4.969 4.660 -0.000 0.000 0.278 131 W C 1.360 177.843 176.519 -0.060 0.000 1.075 131 W CA -0.378 56.980 57.345 0.022 0.000 1.439 131 W CB -0.393 29.124 29.460 0.095 0.000 0.927 131 W HN -0.174 nan 8.180 nan 0.000 0.604 132 L N 1.118 122.161 121.223 -0.300 0.000 2.131 132 L HA -0.004 4.336 4.340 -0.000 0.000 0.206 132 L C 2.497 179.006 176.870 -0.601 0.000 1.087 132 L CA 1.620 56.154 54.840 -0.509 0.000 0.767 132 L CB -0.614 40.836 42.059 -1.016 0.000 0.917 132 L HN 0.052 nan 8.230 nan 0.000 0.441 133 E N 0.224 120.191 120.200 -0.388 0.000 2.130 133 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 133 E C 1.986 178.571 176.600 -0.025 0.000 0.998 133 E CA 1.199 57.561 56.400 -0.063 0.000 0.806 133 E CB -0.098 29.633 29.700 0.051 0.000 0.738 133 E HN 0.506 nan 8.360 nan 0.000 0.459 134 G N -0.175 108.604 108.800 -0.034 0.000 2.939 134 G HA2 0.040 4.000 3.960 -0.000 0.000 0.210 134 G HA3 0.040 4.000 3.960 -0.000 0.000 0.210 134 G C 0.463 175.359 174.900 -0.007 0.000 1.160 134 G CA -0.401 44.703 45.100 0.007 0.000 0.770 134 G HN 0.055 nan 8.290 nan 0.000 0.543 135 L N 2.912 124.097 121.223 -0.064 0.000 2.628 135 L HA 0.094 4.434 4.340 -0.000 0.000 0.274 135 L C 1.288 178.147 176.870 -0.018 0.000 1.209 135 L CA -0.152 54.632 54.840 -0.093 0.000 0.930 135 L CB 0.328 42.261 42.059 -0.210 0.000 1.183 135 L HN 0.192 nan 8.230 nan 0.000 0.492 136 T N 0.120 114.679 114.554 0.008 0.000 2.899 136 T HA 0.044 4.393 4.350 -0.000 0.000 0.295 136 T C 0.977 175.750 174.700 0.122 0.000 1.033 136 T CA -0.613 61.526 62.100 0.064 0.000 1.084 136 T CB 0.911 69.810 68.868 0.052 0.000 0.979 136 T HN 0.409 nan 8.240 nan 0.000 0.532 137 F N 1.674 121.612 119.950 -0.021 0.000 2.192 137 F HA -0.043 4.484 4.527 -0.000 0.000 0.301 137 F C 2.211 177.992 175.800 -0.031 0.000 1.079 137 F CA 1.471 59.458 58.000 -0.023 0.000 1.303 137 F CB -0.526 38.465 39.000 -0.014 0.000 1.024 137 F HN 0.785 nan 8.300 nan 0.000 0.494 138 K N 0.312 120.673 120.400 -0.066 0.000 2.057 138 K HA -0.188 4.131 4.320 -0.000 0.000 0.206 138 K C 1.979 178.501 176.600 -0.130 0.000 1.050 138 K CA 1.823 58.003 56.287 -0.179 0.000 0.935 138 K CB -0.190 32.257 32.500 -0.088 0.000 0.715 138 K HN 0.358 nan 8.250 nan 0.000 0.439 139 E N -0.003 120.164 120.200 -0.055 0.000 2.106 139 E HA -0.133 4.216 4.350 -0.000 0.000 0.192 139 E C 1.920 178.489 176.600 -0.053 0.000 0.984 139 E CA 1.089 57.468 56.400 -0.035 0.000 0.806 139 E CB 0.144 29.825 29.700 -0.032 0.000 0.750 139 E HN 0.085 nan 8.360 nan 0.000 0.458 140 V N 0.860 120.745 119.914 -0.047 0.000 2.427 140 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 140 V C 2.258 178.283 176.094 -0.115 0.000 1.051 140 V CA 1.140 63.417 62.300 -0.039 0.000 1.048 140 V CB -0.242 31.639 31.823 0.097 0.000 0.666 140 V HN 0.136 nan 8.190 nan 0.000 0.456 141 V N -0.019 119.780 119.914 -0.192 0.000 2.295 141 V HA -0.254 3.865 4.120 -0.000 0.000 0.246 141 V C 2.583 178.570 176.094 -0.177 0.000 1.049 141 V CA 2.107 64.261 62.300 -0.245 0.000 1.024 141 V CB -0.738 30.861 31.823 -0.373 0.000 0.648 141 V HN 0.467 nan 8.190 nan 0.000 0.447 142 R N -0.514 119.905 120.500 -0.134 0.000 2.096 142 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 142 R C 2.318 178.587 176.300 -0.052 0.000 1.127 142 R CA 1.368 57.414 56.100 -0.089 0.000 0.968 142 R CB -0.443 29.814 30.300 -0.071 0.000 0.861 142 R HN 0.405 nan 8.270 nan 0.000 0.440 143 L N 0.319 121.523 121.223 -0.032 0.000 1.994 143 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 143 L C 2.591 179.281 176.870 -0.301 0.000 1.071 143 L CA 1.957 56.797 54.840 -0.001 0.000 0.745 143 L CB -0.689 41.379 42.059 0.014 0.000 0.892 143 L HN 0.399 nan 8.230 nan 0.000 0.431 144 T N -3.999 110.221 114.554 -0.558 0.000 3.051 144 T HA -0.101 4.249 4.350 -0.000 0.000 0.269 144 T C 1.770 176.261 174.700 -0.348 0.000 1.127 144 T CA 0.898 62.481 62.100 -0.862 0.000 1.107 144 T CB -0.404 68.100 68.868 -0.606 0.000 0.898 144 T HN 0.436 nan 8.240 nan 0.000 0.517 145 S N 1.097 116.689 115.700 -0.180 0.000 2.561 145 S HA 0.171 4.641 4.470 -0.000 0.000 0.225 145 S C 1.750 176.352 174.600 0.003 0.000 0.977 145 S CA -0.025 58.130 58.200 -0.075 0.000 0.926 145 S CB -0.829 62.328 63.200 -0.071 0.000 0.769 145 S HN 0.575 nan 8.310 nan 0.000 0.533 146 L N -0.045 121.215 121.223 0.061 0.000 2.552 146 L HA 0.336 4.675 4.340 -0.000 0.000 0.227 146 L C 0.797 177.789 176.870 0.203 0.000 1.146 146 L CA 0.459 55.391 54.840 0.154 0.000 0.858 146 L CB -0.385 41.820 42.059 0.243 0.000 0.969 146 L HN 0.371 nan 8.230 nan 0.000 0.451 147 M N -1.030 118.718 119.600 0.246 0.000 2.531 147 M HA 0.300 4.779 4.480 -0.000 0.000 0.286 147 M C -0.183 176.221 176.300 0.174 0.000 1.232 147 M CA -0.503 54.945 55.300 0.246 0.000 0.877 147 M CB 2.699 35.532 32.600 0.388 0.000 1.726 147 M HN -0.088 nan 8.290 nan 0.000 0.463 148 T N -1.525 113.105 114.554 0.127 0.000 2.881 148 T HA 0.439 4.788 4.350 -0.000 0.000 0.278 148 T C 0.938 175.684 174.700 0.076 0.000 0.982 148 T CA -0.888 61.259 62.100 0.078 0.000 0.989 148 T CB 1.135 70.033 68.868 0.050 0.000 1.058 148 T HN 0.385 nan 8.240 nan 0.000 0.529 149 V N 1.388 121.316 119.914 0.024 0.000 2.343 149 V HA -0.081 4.038 4.120 -0.000 0.000 0.247 149 V C 3.130 179.201 176.094 -0.039 0.000 1.051 149 V CA 2.211 64.496 62.300 -0.024 0.000 1.036 149 V CB -1.648 30.135 31.823 -0.068 0.000 0.654 149 V HN 1.072 nan 8.190 nan 0.000 0.451 150 A N -0.905 121.903 122.820 -0.019 0.000 1.902 150 A HA -0.296 4.024 4.320 -0.000 0.000 0.217 150 A C 2.203 179.811 177.584 0.040 0.000 1.181 150 A CA 2.018 54.048 52.037 -0.011 0.000 0.623 150 A CB -0.495 18.509 19.000 0.008 0.000 0.818 150 A HN 0.612 nan 8.150 nan 0.000 0.443 151 Q N -1.331 118.518 119.800 0.082 0.000 2.030 151 Q HA -0.185 4.154 4.340 -0.000 0.000 0.204 151 Q C 2.272 178.419 176.000 0.245 0.000 0.986 151 Q CA 1.666 57.559 55.803 0.151 0.000 0.843 151 Q CB -0.282 28.546 28.738 0.149 0.000 0.904 151 Q HN 0.571 nan 8.270 nan 0.000 0.420 152 M N 0.339 120.066 119.600 0.213 0.000 2.080 152 M HA -0.163 4.317 4.480 -0.000 0.000 0.260 152 M C 2.086 178.442 176.300 0.093 0.000 1.068 152 M CA 1.436 56.868 55.300 0.220 0.000 1.109 152 M CB -1.020 31.657 32.600 0.127 0.000 1.342 152 M HN 0.251 nan 8.290 nan 0.000 0.405 153 L N 0.111 121.337 121.223 0.004 0.000 2.642 153 L HA -0.150 4.190 4.340 -0.000 0.000 0.236 153 L C 1.966 178.864 176.870 0.047 0.000 1.169 153 L CA 0.317 55.143 54.840 -0.023 0.000 0.851 153 L CB -0.586 41.364 42.059 -0.180 0.000 0.968 153 L HN 0.281 nan 8.230 nan 0.000 0.453 154 E N 0.122 120.366 120.200 0.072 0.000 2.318 154 E HA -0.019 4.330 4.350 -0.000 0.000 0.193 154 E C 0.933 177.535 176.600 0.003 0.000 0.998 154 E CA 0.055 56.513 56.400 0.096 0.000 0.859 154 E CB 0.071 29.893 29.700 0.203 0.000 0.812 154 E HN 0.366 nan 8.360 nan 0.000 0.492 155 R N 2.103 122.420 120.500 -0.306 0.000 2.538 155 R HA -0.073 4.267 4.340 -0.000 0.000 0.282 155 R C 1.058 177.178 176.300 -0.300 0.000 1.009 155 R CA 0.180 55.882 56.100 -0.662 0.000 1.063 155 R CB 0.384 29.843 30.300 -1.401 0.000 0.945 155 R HN 0.034 nan 8.270 nan 0.000 0.414 156 E N 2.528 122.613 120.200 -0.191 0.000 2.241 156 E HA -0.406 3.944 4.350 -0.000 0.000 0.244 156 E C 1.330 177.864 176.600 -0.110 0.000 1.070 156 E CA 2.626 58.960 56.400 -0.111 0.000 0.998 156 E CB -0.149 29.495 29.700 -0.093 0.000 0.879 156 E HN 0.855 nan 8.360 nan 0.000 0.501 157 D N 0.111 120.395 120.400 -0.193 0.000 2.104 157 D HA -0.194 4.446 4.640 -0.000 0.000 0.194 157 D C 1.976 178.273 176.300 -0.004 0.000 0.994 157 D CA 1.269 55.188 54.000 -0.134 0.000 0.830 157 D CB -0.772 39.899 40.800 -0.214 0.000 0.959 157 D HN 0.148 nan 8.370 nan 0.000 0.452 158 F N 1.722 121.619 119.950 -0.089 0.000 2.095 158 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 158 F C 2.634 178.434 175.800 -0.000 0.000 1.104 158 F CA 0.704 58.666 58.000 -0.064 0.000 1.232 158 F CB -1.013 37.902 39.000 -0.142 0.000 0.987 158 F HN 0.031 nan 8.300 nan 0.000 0.475 159 K N 0.367 120.872 120.400 0.174 0.000 2.032 159 K HA -0.204 4.116 4.320 -0.000 0.000 0.209 159 K C 2.182 178.862 176.600 0.134 0.000 1.048 159 K CA 1.408 57.779 56.287 0.139 0.000 0.927 159 K CB 0.024 32.572 32.500 0.080 0.000 0.712 159 K HN -0.040 nan 8.250 nan 0.000 0.441 160 K N 0.786 121.239 120.400 0.089 0.000 2.026 160 K HA -0.118 4.202 4.320 -0.000 0.000 0.208 160 K C 2.280 178.928 176.600 0.079 0.000 1.048 160 K CA 1.342 57.669 56.287 0.066 0.000 0.929 160 K CB -0.361 32.161 32.500 0.037 0.000 0.713 160 K HN 0.251 nan 8.250 nan 0.000 0.439 161 R N -0.422 120.143 120.500 0.108 0.000 2.083 161 R HA -0.171 4.169 4.340 -0.000 0.000 0.237 161 R C 2.392 178.759 176.300 0.113 0.000 1.137 161 R CA 1.560 57.726 56.100 0.109 0.000 0.951 161 R CB -0.502 29.887 30.300 0.149 0.000 0.851 161 R HN 0.219 nan 8.270 nan 0.000 0.434 162 Y N 2.019 122.343 120.300 0.042 0.000 2.224 162 Y HA -0.188 4.362 4.550 -0.001 0.000 0.289 162 Y C 1.897 177.806 175.900 0.015 0.000 1.146 162 Y CA 1.609 59.720 58.100 0.018 0.000 1.182 162 Y CB 0.019 38.485 38.460 0.010 0.000 0.983 162 Y HN 0.108 nan 8.280 nan 0.000 0.524 163 E N -0.616 119.600 120.200 0.027 0.000 2.152 163 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 163 E C 2.265 178.817 176.600 -0.080 0.000 0.983 163 E CA 0.817 57.192 56.400 -0.042 0.000 0.818 163 E CB -0.227 29.496 29.700 0.039 0.000 0.758 163 E HN 0.521 nan 8.360 nan 0.000 0.467 164 A N 0.470 123.263 122.820 -0.045 0.000 2.016 164 A HA 0.161 4.481 4.320 -0.000 0.000 0.217 164 A C 1.878 179.422 177.584 -0.067 0.000 1.162 164 A CA 1.204 53.217 52.037 -0.040 0.000 0.662 164 A CB -0.156 18.838 19.000 -0.009 0.000 0.812 164 A HN 0.356 nan 8.150 nan 0.000 0.450 165 G N -1.482 107.258 108.800 -0.101 0.000 2.138 165 G HA2 -0.121 3.838 3.960 -0.000 0.000 0.193 165 G HA3 -0.121 3.838 3.960 -0.000 0.000 0.193 165 G C -0.114 174.757 174.900 -0.050 0.000 0.998 165 G CA -0.059 44.975 45.100 -0.110 0.000 0.668 165 G HN 0.260 nan 8.290 nan 0.000 0.516 166 I N 1.425 121.986 120.570 -0.016 0.000 2.441 166 I HA 0.265 4.434 4.170 -0.000 0.000 0.287 166 I C -1.677 174.461 176.117 0.036 0.000 1.049 166 I CA -2.524 58.786 61.300 0.016 0.000 1.381 166 I CB 0.483 38.504 38.000 0.035 0.000 1.409 166 I HN -0.119 nan 8.210 nan 0.000 0.523 167 P HA 0.194 nan 4.420 nan 0.000 0.265 167 P C -0.584 176.753 177.300 0.063 0.000 1.193 167 P CA 0.282 63.409 63.100 0.045 0.000 0.765 167 P CB 0.462 32.184 31.700 0.037 0.000 0.823 168 I N 1.501 122.103 120.570 0.054 0.000 2.439 168 I HA 0.163 4.333 4.170 -0.000 0.000 0.283 168 I C 0.381 176.490 176.117 -0.014 0.000 1.023 168 I CA -0.688 60.626 61.300 0.022 0.000 1.100 168 I CB 1.721 39.696 38.000 -0.041 0.000 1.238 168 I HN 0.236 nan 8.210 nan 0.000 0.445 169 S N 4.517 120.222 115.700 0.010 0.000 2.549 169 S HA 0.090 4.560 4.470 -0.000 0.000 0.283 169 S C 1.036 175.608 174.600 -0.047 0.000 1.320 169 S CA -0.460 57.773 58.200 0.055 0.000 1.058 169 S CB 0.643 63.990 63.200 0.245 0.000 0.882 169 S HN 0.578 nan 8.310 nan 0.000 0.498 170 L N 6.001 127.219 121.223 -0.008 0.000 2.127 170 L HA -0.132 4.208 4.340 -0.000 0.000 0.211 170 L C 2.466 179.285 176.870 -0.085 0.000 1.089 170 L CA 2.316 57.117 54.840 -0.065 0.000 0.757 170 L CB -0.851 41.195 42.059 -0.022 0.000 0.899 170 L HN 0.986 nan 8.230 nan 0.000 0.434 171 H N -1.150 117.846 119.070 -0.123 0.000 2.491 171 H HA -0.096 4.460 4.556 -0.000 0.000 0.290 171 H C 1.567 176.702 175.328 -0.321 0.000 1.050 171 H CA 1.367 57.294 56.048 -0.201 0.000 1.309 171 H CB -0.453 29.186 29.762 -0.205 0.000 1.392 171 H HN 0.550 nan 8.280 nan 0.000 0.554 172 E N 0.490 120.194 120.200 -0.827 0.000 2.204 172 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 172 E C 1.824 178.369 176.600 -0.092 0.000 0.990 172 E CA 0.728 56.844 56.400 -0.472 0.000 0.821 172 E CB 0.076 29.677 29.700 -0.164 0.000 0.750 172 E HN 0.320 nan 8.360 nan 0.000 0.477 173 L N 0.311 121.431 121.223 -0.171 0.000 2.465 173 L HA -0.090 4.250 4.340 -0.000 0.000 0.224 173 L C 1.916 178.915 176.870 0.214 0.000 1.145 173 L CA 0.980 55.814 54.840 -0.010 0.000 0.834 173 L CB -0.100 41.885 42.059 -0.122 0.000 0.944 173 L HN 0.131 nan 8.230 nan 0.000 0.451 174 L N -2.942 118.337 121.223 0.094 0.000 2.307 174 L HA -0.091 4.249 4.340 -0.000 0.000 0.211 174 L C 2.182 179.275 176.870 0.371 0.000 1.099 174 L CA 0.227 55.212 54.840 0.242 0.000 0.816 174 L CB -0.449 41.654 42.059 0.074 0.000 0.952 174 L HN 0.178 nan 8.230 nan 0.000 0.455 175 Y N 0.538 120.995 120.300 0.262 0.000 2.165 175 Y HA -0.132 4.418 4.550 -0.001 0.000 0.286 175 Y C -0.069 175.945 175.900 0.191 0.000 1.155 175 Y CA 0.543 58.776 58.100 0.221 0.000 1.164 175 Y CB -2.163 36.392 38.460 0.158 0.000 0.978 175 Y HN 0.189 nan 8.280 nan 0.000 0.513 176 P HA -0.153 nan 4.420 nan 0.000 0.218 176 P C 1.388 178.694 177.300 0.009 0.000 1.149 176 P CA 1.553 64.718 63.100 0.108 0.000 0.817 176 P CB -0.260 31.470 31.700 0.050 0.000 0.785 177 F N -0.326 119.762 119.950 0.229 0.000 2.259 177 F HA -0.047 4.479 4.527 -0.001 0.000 0.298 177 F C 2.398 178.324 175.800 0.210 0.000 1.088 177 F CA 1.097 59.212 58.000 0.192 0.000 1.358 177 F CB -1.308 37.790 39.000 0.163 0.000 1.040 177 F HN -0.113 nan 8.300 nan 0.000 0.505 178 A N -0.255 122.811 122.820 0.411 0.000 1.873 178 A HA -0.255 4.065 4.320 -0.000 0.000 0.215 178 A C 2.171 179.937 177.584 0.303 0.000 1.186 178 A CA 1.713 53.965 52.037 0.358 0.000 0.616 178 A CB -0.969 18.281 19.000 0.416 0.000 0.823 178 A HN 0.432 nan 8.150 nan 0.000 0.442 179 Q N -0.478 119.461 119.800 0.232 0.000 2.124 179 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 179 Q C 2.064 178.133 176.000 0.115 0.000 0.977 179 Q CA 1.698 57.593 55.803 0.153 0.000 0.850 179 Q CB -0.353 28.445 28.738 0.100 0.000 0.901 179 Q HN 0.585 nan 8.270 nan 0.000 0.429 180 A N -0.252 122.634 122.820 0.109 0.000 1.930 180 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 180 A C 1.849 179.456 177.584 0.039 0.000 1.175 180 A CA 1.202 53.270 52.037 0.051 0.000 0.627 180 A CB -0.938 18.086 19.000 0.040 0.000 0.815 180 A HN 0.672 nan 8.150 nan 0.000 0.443 181 Y N 1.271 121.573 120.300 0.003 0.000 2.293 181 Y HA -0.177 4.373 4.550 -0.000 0.000 0.291 181 Y C 1.651 177.459 175.900 -0.154 0.000 1.137 181 Y CA 1.644 59.678 58.100 -0.110 0.000 1.202 181 Y CB -0.113 38.328 38.460 -0.032 0.000 0.990 181 Y HN 0.358 nan 8.280 nan 0.000 0.537 182 D N -0.799 119.626 120.400 0.042 0.000 2.149 182 D HA -0.176 4.463 4.640 -0.000 0.000 0.198 182 D C 2.290 178.408 176.300 -0.303 0.000 0.990 182 D CA 1.669 55.669 54.000 -0.001 0.000 0.839 182 D CB -0.301 40.668 40.800 0.280 0.000 0.948 182 D HN 0.291 nan 8.370 nan 0.000 0.460 183 S N -0.265 115.298 115.700 -0.227 0.000 2.402 183 S HA -0.078 4.392 4.470 -0.000 0.000 0.229 183 S C 2.234 176.619 174.600 -0.359 0.000 1.021 183 S CA 0.338 58.392 58.200 -0.243 0.000 0.974 183 S CB 0.010 63.115 63.200 -0.158 0.000 0.800 183 S HN 0.099 nan 8.310 nan 0.000 0.484 184 V N 1.727 121.336 119.914 -0.507 0.000 2.453 184 V HA -0.098 4.022 4.120 -0.000 0.000 0.247 184 V C 2.593 178.258 176.094 -0.714 0.000 1.048 184 V CA 1.480 63.419 62.300 -0.601 0.000 1.049 184 V CB -1.068 30.239 31.823 -0.859 0.000 0.672 184 V HN 0.518 nan 8.190 nan 0.000 0.457 185 A N 0.780 122.990 122.820 -1.017 0.000 1.933 185 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 185 A C 1.999 179.108 177.584 -0.793 0.000 1.175 185 A CA 2.112 53.474 52.037 -1.124 0.000 0.628 185 A CB -0.518 17.244 19.000 -2.062 0.000 0.814 185 A HN 0.748 nan 8.150 nan 0.000 0.444 186 I N -5.903 114.286 120.570 -0.635 0.000 3.976 186 I HA 0.360 4.530 4.170 -0.000 0.000 0.337 186 I C 0.255 176.202 176.117 -0.283 0.000 1.359 186 I CA -0.447 60.612 61.300 -0.403 0.000 1.098 186 I CB 0.102 37.915 38.000 -0.313 0.000 1.027 186 I HN 0.119 nan 8.210 nan 0.000 0.394 187 R N 1.667 121.992 120.500 -0.292 0.000 3.127 187 R HA -0.143 4.197 4.340 -0.000 0.000 0.247 187 R C 0.203 176.398 176.300 -0.174 0.000 0.896 187 R CA 0.393 56.368 56.100 -0.208 0.000 0.624 187 R CB -1.638 28.565 30.300 -0.162 0.000 1.154 187 R HN 0.652 nan 8.270 nan 0.000 0.474 188 A N 0.606 123.316 122.820 -0.183 0.000 2.477 188 A HA 0.096 4.416 4.320 -0.000 0.000 0.246 188 A C 0.972 178.476 177.584 -0.134 0.000 1.078 188 A CA -0.185 51.756 52.037 -0.160 0.000 0.770 188 A CB 0.313 19.219 19.000 -0.157 0.000 1.011 188 A HN 0.400 nan 8.150 nan 0.000 0.494 189 D N 0.489 120.806 120.400 -0.138 0.000 2.301 189 D HA 0.162 4.802 4.640 -0.000 0.000 0.206 189 D C -0.135 176.093 176.300 -0.120 0.000 0.979 189 D CA 1.196 55.126 54.000 -0.117 0.000 0.874 189 D CB 0.599 41.328 40.800 -0.118 0.000 0.968 189 D HN 0.270 nan 8.370 nan 0.000 0.510 190 V N 0.658 120.471 119.914 -0.168 0.000 2.932 190 V HA 0.277 4.396 4.120 -0.000 0.000 0.307 190 V C -0.726 175.274 176.094 -0.156 0.000 1.147 190 V CA -0.933 61.274 62.300 -0.155 0.000 0.951 190 V CB 3.057 34.707 31.823 -0.288 0.000 1.031 190 V HN -0.105 nan 8.190 nan 0.000 0.426 191 E N 3.994 124.149 120.200 -0.075 0.000 2.224 191 E HA 0.610 4.960 4.350 -0.000 0.000 0.265 191 E C -1.110 175.488 176.600 -0.003 0.000 0.878 191 E CA -0.792 55.570 56.400 -0.063 0.000 0.759 191 E CB 1.448 31.120 29.700 -0.046 0.000 1.164 191 E HN 0.567 nan 8.360 nan 0.000 0.414 192 M N 2.228 121.811 119.600 -0.028 0.000 2.359 192 M HA 0.647 5.126 4.480 -0.000 0.000 0.322 192 M C 0.415 176.742 176.300 0.045 0.000 1.166 192 M CA -0.415 54.899 55.300 0.024 0.000 1.067 192 M CB 0.940 33.515 32.600 -0.040 0.000 1.523 192 M HN 0.749 nan 8.290 nan 0.000 0.467 193 G N -0.144 108.705 108.800 0.080 0.000 2.466 193 G HA2 0.554 4.514 3.960 -0.000 0.000 0.291 193 G HA3 0.554 4.514 3.960 -0.000 0.000 0.291 193 G C -1.058 173.883 174.900 0.067 0.000 1.460 193 G CA -0.495 44.641 45.100 0.059 0.000 0.791 193 G HN 0.917 nan 8.290 nan 0.000 0.505 194 G N -1.324 107.502 108.800 0.043 0.000 2.528 194 G HA2 0.509 4.469 3.960 -0.000 0.000 0.289 194 G HA3 0.509 4.469 3.960 -0.000 0.000 0.289 194 G C 1.388 176.307 174.900 0.032 0.000 1.192 194 G CA 0.859 45.980 45.100 0.034 0.000 0.921 194 G HN 1.463 nan 8.290 nan 0.000 0.512 195 T N -1.325 113.245 114.554 0.027 0.000 2.822 195 T HA -0.212 4.138 4.350 -0.000 0.000 0.270 195 T C 1.544 176.254 174.700 0.017 0.000 1.064 195 T CA 1.881 63.994 62.100 0.021 0.000 1.131 195 T CB -0.226 68.651 68.868 0.015 0.000 0.858 195 T HN 0.613 nan 8.240 nan 0.000 0.483 196 D N 0.477 120.884 120.400 0.011 0.000 2.347 196 D HA -0.088 4.551 4.640 -0.000 0.000 0.215 196 D C 1.688 177.992 176.300 0.006 0.000 0.976 196 D CA 0.405 54.406 54.000 0.001 0.000 0.884 196 D CB -0.285 40.509 40.800 -0.011 0.000 0.915 196 D HN 0.327 nan 8.370 nan 0.000 0.526 197 Q N 0.249 120.061 119.800 0.020 0.000 2.247 197 Q HA 0.128 4.468 4.340 -0.000 0.000 0.204 197 Q C 1.801 177.830 176.000 0.048 0.000 0.872 197 Q CA -0.218 55.604 55.803 0.030 0.000 0.951 197 Q CB 0.577 29.330 28.738 0.026 0.000 1.099 197 Q HN 0.406 nan 8.270 nan 0.000 0.501 198 R N 0.042 120.572 120.500 0.050 0.000 2.094 198 R HA -0.200 4.140 4.340 -0.000 0.000 0.239 198 R C 1.877 178.211 176.300 0.056 0.000 1.137 198 R CA 1.597 57.723 56.100 0.044 0.000 0.943 198 R CB -0.309 30.016 30.300 0.040 0.000 0.850 198 R HN 0.178 nan 8.270 nan 0.000 0.433 199 F N 1.765 121.688 119.950 -0.044 0.000 2.095 199 F HA -0.214 4.313 4.527 -0.000 0.000 0.298 199 F C 1.811 177.576 175.800 -0.059 0.000 1.104 199 F CA 2.023 59.993 58.000 -0.050 0.000 1.232 199 F CB -0.417 38.546 39.000 -0.063 0.000 0.987 199 F HN 0.117 nan 8.300 nan 0.000 0.475 200 N N 0.312 119.151 118.700 0.232 0.000 2.166 200 N HA -0.153 4.586 4.740 -0.000 0.000 0.186 200 N C 1.700 177.197 175.510 -0.021 0.000 1.019 200 N CA 1.347 54.465 53.050 0.114 0.000 0.856 200 N CB -0.557 37.990 38.487 0.101 0.000 0.993 200 N HN 0.217 nan 8.380 nan 0.000 0.426 201 L N 0.519 121.728 121.223 -0.023 0.000 2.083 201 L HA -0.020 4.320 4.340 -0.000 0.000 0.209 201 L C 2.014 178.829 176.870 -0.092 0.000 1.083 201 L CA 1.059 55.873 54.840 -0.043 0.000 0.752 201 L CB -0.677 41.371 42.059 -0.018 0.000 0.899 201 L HN 0.208 nan 8.230 nan 0.000 0.433 202 L N -1.819 119.316 121.223 -0.147 0.000 2.141 202 L HA -0.175 4.164 4.340 -0.000 0.000 0.209 202 L C 2.365 179.096 176.870 -0.231 0.000 1.094 202 L CA 0.484 55.208 54.840 -0.195 0.000 0.763 202 L CB -0.465 41.440 42.059 -0.256 0.000 0.908 202 L HN 0.083 nan 8.230 nan 0.000 0.437 203 V N 0.081 119.816 119.914 -0.298 0.000 2.427 203 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 203 V C 2.623 178.637 176.094 -0.133 0.000 1.051 203 V CA 1.829 63.971 62.300 -0.265 0.000 1.048 203 V CB -1.136 30.497 31.823 -0.317 0.000 0.666 203 V HN 0.564 nan 8.190 nan 0.000 0.456 204 G N -0.159 108.579 108.800 -0.103 0.000 2.442 204 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.219 204 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.219 204 G C 1.769 176.636 174.900 -0.056 0.000 1.141 204 G CA 0.737 45.799 45.100 -0.064 0.000 0.763 204 G HN 0.424 nan 8.290 nan 0.000 0.554 205 R N -0.029 120.431 120.500 -0.066 0.000 2.073 205 R HA -0.025 4.315 4.340 -0.000 0.000 0.234 205 R C 2.542 178.826 176.300 -0.026 0.000 1.134 205 R CA 1.227 57.297 56.100 -0.051 0.000 0.952 205 R CB -0.168 30.096 30.300 -0.060 0.000 0.850 205 R HN 0.248 nan 8.270 nan 0.000 0.433 206 E N 0.254 120.435 120.200 -0.032 0.000 2.110 206 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 206 E C 2.106 178.747 176.600 0.069 0.000 0.988 206 E CA 1.025 57.428 56.400 0.005 0.000 0.804 206 E CB -0.057 29.636 29.700 -0.012 0.000 0.745 206 E HN 0.146 nan 8.360 nan 0.000 0.458 207 V N 1.248 121.213 119.914 0.085 0.000 2.379 207 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 207 V C 2.414 178.621 176.094 0.189 0.000 1.044 207 V CA 1.482 63.892 62.300 0.185 0.000 1.036 207 V CB -0.446 31.477 31.823 0.167 0.000 0.664 207 V HN 0.222 nan 8.190 nan 0.000 0.453 208 Q N -0.450 119.387 119.800 0.062 0.000 2.124 208 Q HA -0.217 4.122 4.340 -0.000 0.000 0.202 208 Q C 2.522 178.572 176.000 0.083 0.000 0.977 208 Q CA 1.538 57.364 55.803 0.037 0.000 0.850 208 Q CB -0.197 28.521 28.738 -0.034 0.000 0.901 208 Q HN 0.494 nan 8.270 nan 0.000 0.429 209 R N -0.019 120.518 120.500 0.061 0.000 2.081 209 R HA -0.130 4.209 4.340 -0.000 0.000 0.235 209 R C 2.117 178.454 176.300 0.061 0.000 1.131 209 R CA 1.247 57.373 56.100 0.044 0.000 0.960 209 R CB -0.220 30.095 30.300 0.024 0.000 0.856 209 R HN 0.219 nan 8.270 nan 0.000 0.436 210 A N -0.567 122.314 122.820 0.102 0.000 2.067 210 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 210 A C 0.906 178.473 177.584 -0.029 0.000 1.158 210 A CA 0.981 53.049 52.037 0.052 0.000 0.661 210 A CB -0.218 18.839 19.000 0.096 0.000 0.801 210 A HN 0.398 nan 8.150 nan 0.000 0.452 211 Y N -0.407 119.896 120.300 0.004 0.000 2.625 211 Y HA 0.387 4.937 4.550 -0.001 0.000 0.285 211 Y C 1.568 177.453 175.900 -0.025 0.000 1.168 211 Y CA -0.187 57.910 58.100 -0.005 0.000 1.250 211 Y CB -0.171 38.282 38.460 -0.012 0.000 1.130 211 Y HN 0.390 nan 8.280 nan 0.000 0.526 212 G N 0.676 109.510 108.800 0.057 0.000 2.198 212 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 212 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 212 G C -0.006 174.906 174.900 0.020 0.000 1.025 212 G CA 0.019 45.133 45.100 0.024 0.000 0.769 212 G HN 0.429 nan 8.290 nan 0.000 0.507 213 Q N -0.561 119.254 119.800 0.025 0.000 2.399 213 Q HA 0.617 4.956 4.340 -0.000 0.000 0.276 213 Q C 0.235 176.228 176.000 -0.012 0.000 1.098 213 Q CA -0.387 55.413 55.803 -0.006 0.000 0.827 213 Q CB 1.852 30.573 28.738 -0.028 0.000 1.386 213 Q HN 0.356 nan 8.270 nan 0.000 0.443 214 S N 2.542 118.228 115.700 -0.024 0.000 2.533 214 S HA 0.201 4.671 4.470 -0.000 0.000 0.282 214 S C -2.161 172.420 174.600 -0.032 0.000 1.304 214 S CA -1.044 57.142 58.200 -0.025 0.000 1.063 214 S CB 0.322 63.505 63.200 -0.027 0.000 0.881 214 S HN 0.291 nan 8.310 nan 0.000 0.493 215 P HA 0.092 nan 4.420 nan 0.000 0.271 215 P C -0.537 176.738 177.300 -0.041 0.000 1.220 215 P CA -0.346 62.734 63.100 -0.033 0.000 0.768 215 P CB 0.349 32.033 31.700 -0.027 0.000 0.848 216 Q N 1.927 121.696 119.800 -0.053 0.000 2.395 216 Q HA 0.208 4.548 4.340 -0.000 0.000 0.271 216 Q C -0.565 175.412 176.000 -0.038 0.000 1.026 216 Q CA -0.608 55.161 55.803 -0.056 0.000 0.900 216 Q CB 0.111 28.806 28.738 -0.071 0.000 1.266 216 Q HN 0.190 nan 8.270 nan 0.000 0.430 217 V N 2.463 122.362 119.914 -0.025 0.000 2.614 217 V HA 0.038 4.158 4.120 -0.000 0.000 0.291 217 V C -0.091 176.016 176.094 0.022 0.000 1.049 217 V CA -0.662 61.640 62.300 0.003 0.000 1.038 217 V CB 0.964 32.811 31.823 0.040 0.000 0.980 217 V HN 0.923 nan 8.190 nan 0.000 0.481 218 C N 6.118 125.426 119.300 0.012 0.000 2.265 218 C HA 0.433 4.892 4.460 -0.000 0.000 0.332 218 C C -0.047 174.983 174.990 0.067 0.000 1.248 218 C CA -0.678 58.358 59.018 0.031 0.000 1.727 218 C CB -0.672 27.061 27.740 -0.010 0.000 2.348 218 C HN 0.723 nan 8.230 nan 0.000 0.519 219 F N 4.911 124.856 119.950 -0.009 0.000 2.332 219 F HA 0.597 5.124 4.527 -0.001 0.000 0.368 219 F C -0.255 175.557 175.800 0.020 0.000 1.110 219 F CA -0.739 57.275 58.000 0.023 0.000 1.087 219 F CB 0.409 39.444 39.000 0.060 0.000 1.235 219 F HN 0.420 nan 8.300 nan 0.000 0.470 220 L N 6.255 127.572 121.223 0.156 0.000 2.309 220 L HA 0.516 4.856 4.340 -0.000 0.000 0.282 220 L C -0.342 176.623 176.870 0.159 0.000 1.036 220 L CA -0.747 54.176 54.840 0.138 0.000 0.806 220 L CB 1.447 43.532 42.059 0.043 0.000 1.220 220 L HN 0.404 nan 8.230 nan 0.000 0.429 221 M N 2.680 122.372 119.600 0.152 0.000 2.598 221 M HA 0.536 5.016 4.480 -0.000 0.000 0.317 221 M C -2.472 173.865 176.300 0.062 0.000 1.179 221 M CA -2.644 52.730 55.300 0.124 0.000 0.936 221 M CB 1.397 34.072 32.600 0.126 0.000 1.713 221 M HN 0.140 nan 8.290 nan 0.000 0.460 222 P HA 0.288 nan 4.420 nan 0.000 0.272 222 P C -0.804 176.501 177.300 0.008 0.000 1.240 222 P CA -0.337 62.777 63.100 0.023 0.000 0.791 222 P CB 0.439 32.151 31.700 0.021 0.000 0.978 223 L N 1.822 123.046 121.223 0.002 0.000 2.264 223 L HA 0.290 4.630 4.340 -0.000 0.000 0.289 223 L C 0.376 177.234 176.870 -0.020 0.000 1.044 223 L CA -1.029 53.804 54.840 -0.012 0.000 0.807 223 L CB 0.589 42.643 42.059 -0.008 0.000 1.192 223 L HN 0.268 nan 8.230 nan 0.000 0.425 224 L N 4.500 125.693 121.223 -0.050 0.000 2.455 224 L HA 0.145 4.485 4.340 -0.000 0.000 0.272 224 L C 0.004 176.862 176.870 -0.020 0.000 1.174 224 L CA 0.469 55.261 54.840 -0.080 0.000 0.869 224 L CB 1.033 42.981 42.059 -0.185 0.000 1.130 224 L HN 0.247 nan 8.230 nan 0.000 0.474 225 V N 5.295 125.240 119.914 0.053 0.000 2.732 225 V HA 0.497 4.616 4.120 -0.000 0.000 0.297 225 V C 1.057 177.219 176.094 0.114 0.000 1.060 225 V CA -0.027 62.319 62.300 0.076 0.000 1.038 225 V CB 1.000 32.876 31.823 0.088 0.000 1.003 225 V HN 0.978 nan 8.190 nan 0.000 0.481 226 G N 2.037 110.869 108.800 0.053 0.000 2.621 226 G HA2 0.358 4.317 3.960 -0.000 0.000 0.271 226 G HA3 0.358 4.317 3.960 -0.000 0.000 0.271 226 G C 0.779 175.702 174.900 0.039 0.000 1.236 226 G CA -0.711 44.415 45.100 0.043 0.000 0.958 226 G HN 0.710 nan 8.290 nan 0.000 0.512 227 L N 0.329 121.554 121.223 0.004 0.000 2.353 227 L HA -0.058 4.282 4.340 -0.000 0.000 0.220 227 L C 2.410 179.258 176.870 -0.037 0.000 1.133 227 L CA 1.245 56.065 54.840 -0.034 0.000 0.798 227 L CB -0.298 41.727 42.059 -0.057 0.000 0.922 227 L HN 0.713 nan 8.230 nan 0.000 0.445 228 D N -0.368 120.019 120.400 -0.022 0.000 2.277 228 D HA -0.105 4.535 4.640 -0.000 0.000 0.208 228 D C 1.583 177.873 176.300 -0.017 0.000 0.962 228 D CA 1.095 55.083 54.000 -0.019 0.000 0.865 228 D CB 0.067 40.861 40.800 -0.011 0.000 0.939 228 D HN 0.295 nan 8.370 nan 0.000 0.510 229 G N 1.100 109.893 108.800 -0.013 0.000 2.157 229 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.248 229 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.248 229 G C 1.169 176.070 174.900 0.001 0.000 0.979 229 G CA 0.407 45.501 45.100 -0.011 0.000 0.650 229 G HN 0.469 nan 8.290 nan 0.000 0.529 230 R N -0.627 119.876 120.500 0.004 0.000 2.437 230 R HA 0.217 4.556 4.340 -0.000 0.000 0.184 230 R C 0.282 176.587 176.300 0.009 0.000 0.850 230 R CA 0.135 56.239 56.100 0.006 0.000 1.073 230 R CB 0.203 30.505 30.300 0.003 0.000 1.336 230 R HN 0.394 nan 8.270 nan 0.000 0.640 231 E N 2.293 122.498 120.200 0.008 0.000 2.250 231 E HA 0.154 4.503 4.350 -0.000 0.000 0.265 231 E C -0.676 175.928 176.600 0.007 0.000 1.033 231 E CA -0.564 55.840 56.400 0.007 0.000 0.888 231 E CB 1.414 31.118 29.700 0.006 0.000 1.151 231 E HN -0.025 nan 8.360 nan 0.000 0.412 232 K N 1.512 121.913 120.400 0.002 0.000 2.414 232 K HA 0.030 4.350 4.320 -0.000 0.000 0.272 232 K C 0.202 176.789 176.600 -0.022 0.000 0.993 232 K CA -0.099 56.185 56.287 -0.005 0.000 0.964 232 K CB 0.525 33.021 32.500 -0.007 0.000 0.925 232 K HN 0.514 nan 8.250 nan 0.000 0.487 233 M N 3.517 123.088 119.600 -0.049 0.000 2.238 233 M HA -0.013 4.467 4.480 -0.000 0.000 0.350 233 M C -0.906 175.273 176.300 -0.203 0.000 1.321 233 M CA 0.740 55.957 55.300 -0.138 0.000 1.097 233 M CB 0.335 32.814 32.600 -0.202 0.000 1.713 233 M HN 0.775 nan 8.290 nan 0.000 0.455 234 S N 3.366 118.950 115.700 -0.193 0.000 2.552 234 S HA 0.270 4.740 4.470 -0.000 0.000 0.272 234 S C 0.007 174.564 174.600 -0.071 0.000 1.150 234 S CA -1.067 57.085 58.200 -0.080 0.000 0.849 234 S CB 1.592 64.799 63.200 0.011 0.000 1.113 234 S HN 0.909 nan 8.310 nan 0.000 0.458 235 K N 1.176 121.506 120.400 -0.116 0.000 2.026 235 K HA -0.114 4.205 4.320 -0.000 0.000 0.208 235 K C 2.003 178.600 176.600 -0.005 0.000 1.048 235 K CA 2.062 58.181 56.287 -0.279 0.000 0.929 235 K CB -0.553 31.805 32.500 -0.236 0.000 0.713 235 K HN 0.787 nan 8.250 nan 0.000 0.439 236 S N 0.248 115.959 115.700 0.018 0.000 2.500 236 S HA -0.069 4.401 4.470 -0.000 0.000 0.239 236 S C 1.598 176.235 174.600 0.062 0.000 0.989 236 S CA 0.706 58.931 58.200 0.043 0.000 0.951 236 S CB -0.168 63.050 63.200 0.029 0.000 0.759 236 S HN 0.333 nan 8.310 nan 0.000 0.523 237 L N 0.500 121.771 121.223 0.080 0.000 2.664 237 L HA 0.255 4.595 4.340 -0.000 0.000 0.233 237 L C -0.054 176.874 176.870 0.097 0.000 1.113 237 L CA -0.008 54.875 54.840 0.071 0.000 0.896 237 L CB -0.246 41.840 42.059 0.045 0.000 1.163 237 L HN 0.137 nan 8.230 nan 0.000 0.497 238 D N 2.052 122.571 120.400 0.197 0.000 2.751 238 D HA -0.172 4.468 4.640 -0.000 0.000 0.233 238 D C 0.166 176.461 176.300 -0.009 0.000 1.149 238 D CA 1.037 55.128 54.000 0.151 0.000 0.682 238 D CB -0.763 40.078 40.800 0.068 0.000 1.068 238 D HN 0.597 nan 8.370 nan 0.000 0.429 239 N N -0.473 118.255 118.700 0.047 0.000 2.291 239 N HA 0.014 4.754 4.740 -0.000 0.000 0.244 239 N C -0.096 175.380 175.510 -0.057 0.000 1.216 239 N CA -0.456 52.570 53.050 -0.039 0.000 0.879 239 N CB -0.229 38.255 38.487 -0.005 0.000 1.167 239 N HN 0.346 nan 8.380 nan 0.000 0.515 240 Y N -0.712 119.512 120.300 -0.127 0.000 2.568 240 Y HA 0.797 5.346 4.550 -0.001 0.000 0.327 240 Y C -0.469 175.383 175.900 -0.079 0.000 1.163 240 Y CA -1.702 56.283 58.100 -0.193 0.000 1.219 240 Y CB 1.106 39.350 38.460 -0.359 0.000 1.308 240 Y HN -0.164 nan 8.280 nan 0.000 0.503 241 I N 2.130 122.746 120.570 0.076 0.000 2.439 241 I HA 0.418 4.587 4.170 -0.000 0.000 0.283 241 I C 0.304 176.547 176.117 0.210 0.000 1.023 241 I CA -0.958 60.369 61.300 0.045 0.000 1.100 241 I CB 1.557 39.562 38.000 0.009 0.000 1.238 241 I HN 0.989 nan 8.210 nan 0.000 0.445 242 G N 5.352 114.307 108.800 0.259 0.000 2.483 242 G HA2 0.319 4.279 3.960 -0.000 0.000 0.248 242 G HA3 0.319 4.279 3.960 -0.000 0.000 0.248 242 G C 0.866 175.798 174.900 0.053 0.000 1.248 242 G CA -0.440 44.799 45.100 0.232 0.000 0.838 242 G HN 0.674 nan 8.290 nan 0.000 0.566 243 L N 1.255 122.465 121.223 -0.021 0.000 2.141 243 L HA -0.056 4.284 4.340 -0.000 0.000 0.209 243 L C 2.842 179.714 176.870 0.004 0.000 1.094 243 L CA 1.729 56.496 54.840 -0.123 0.000 0.763 243 L CB -0.396 41.578 42.059 -0.141 0.000 0.908 243 L HN 0.732 nan 8.230 nan 0.000 0.437 244 T N -4.221 110.350 114.554 0.029 0.000 3.163 244 T HA 0.127 4.477 4.350 -0.000 0.000 0.252 244 T C 0.590 175.329 174.700 0.064 0.000 1.056 244 T CA -0.375 61.755 62.100 0.051 0.000 0.947 244 T CB -0.120 68.768 68.868 0.033 0.000 1.016 244 T HN 0.194 nan 8.240 nan 0.000 0.554 245 E N 2.685 122.927 120.200 0.069 0.000 2.415 245 E HA 0.182 4.531 4.350 -0.000 0.000 0.262 245 E C -2.385 174.260 176.600 0.076 0.000 1.038 245 E CA -1.793 54.649 56.400 0.070 0.000 0.921 245 E CB 0.309 30.047 29.700 0.064 0.000 0.950 245 E HN 0.254 nan 8.360 nan 0.000 0.438 246 P HA -0.045 nan 4.420 nan 0.000 0.264 246 P C -2.132 175.223 177.300 0.091 0.000 1.183 246 P CA -0.742 62.401 63.100 0.072 0.000 0.763 246 P CB 0.162 31.898 31.700 0.059 0.000 0.807 247 P HA -0.257 nan 4.420 nan 0.000 0.218 247 P C 1.364 178.752 177.300 0.147 0.000 1.152 247 P CA 1.481 64.662 63.100 0.135 0.000 0.857 247 P CB 0.066 31.836 31.700 0.116 0.000 0.787 248 E N -0.760 119.502 120.200 0.103 0.000 2.072 248 E HA -0.157 4.192 4.350 -0.000 0.000 0.191 248 E C 1.950 178.627 176.600 0.129 0.000 0.985 248 E CA 1.137 57.598 56.400 0.102 0.000 0.801 248 E CB -0.500 29.238 29.700 0.063 0.000 0.750 248 E HN 0.093 nan 8.360 nan 0.000 0.452 249 A N 0.949 123.828 122.820 0.097 0.000 1.969 249 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 249 A C 2.151 179.780 177.584 0.074 0.000 1.169 249 A CA 1.386 53.469 52.037 0.076 0.000 0.635 249 A CB -0.480 18.550 19.000 0.050 0.000 0.810 249 A HN 0.451 nan 8.150 nan 0.000 0.445 250 M N -2.083 117.576 119.600 0.098 0.000 2.123 250 M HA -0.016 4.464 4.480 -0.000 0.000 0.263 250 M C 1.977 178.327 176.300 0.083 0.000 1.069 250 M CA 1.761 57.110 55.300 0.082 0.000 1.133 250 M CB -0.211 32.454 32.600 0.108 0.000 1.356 250 M HN 0.394 nan 8.290 nan 0.000 0.415 251 F N 1.260 121.210 119.950 -0.001 0.000 2.161 251 F HA -0.230 4.297 4.527 -0.001 0.000 0.300 251 F C 2.381 178.086 175.800 -0.157 0.000 1.089 251 F CA 2.076 60.049 58.000 -0.045 0.000 1.282 251 F CB -0.302 38.690 39.000 -0.013 0.000 1.010 251 F HN 0.123 nan 8.300 nan 0.000 0.485 252 K N 0.397 120.876 120.400 0.130 0.000 2.057 252 K HA -0.187 4.133 4.320 -0.000 0.000 0.206 252 K C 2.063 178.602 176.600 -0.103 0.000 1.050 252 K CA 1.535 57.822 56.287 -0.001 0.000 0.935 252 K CB -0.107 32.491 32.500 0.163 0.000 0.715 252 K HN 0.226 nan 8.250 nan 0.000 0.439 253 K N 0.499 120.862 120.400 -0.062 0.000 2.097 253 K HA -0.062 4.258 4.320 -0.000 0.000 0.205 253 K C 2.122 178.648 176.600 -0.123 0.000 1.050 253 K CA 1.102 57.342 56.287 -0.078 0.000 0.938 253 K CB -0.064 32.398 32.500 -0.063 0.000 0.718 253 K HN 0.159 nan 8.250 nan 0.000 0.442 254 L N 0.523 121.646 121.223 -0.167 0.000 2.131 254 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 254 L C 2.306 179.050 176.870 -0.211 0.000 1.092 254 L CA 0.621 55.342 54.840 -0.199 0.000 0.759 254 L CB -0.250 41.660 42.059 -0.249 0.000 0.903 254 L HN 0.227 nan 8.230 nan 0.000 0.435 255 M N -0.668 118.719 119.600 -0.354 0.000 2.476 255 M HA -0.100 4.380 4.480 -0.000 0.000 0.262 255 M C 1.835 177.988 176.300 -0.244 0.000 1.079 255 M CA 1.447 56.529 55.300 -0.363 0.000 1.104 255 M CB -0.792 31.283 32.600 -0.874 0.000 1.409 255 M HN 0.204 nan 8.290 nan 0.000 0.467 256 R N -0.480 119.926 120.500 -0.155 0.000 2.334 256 R HA 0.210 4.550 4.340 -0.000 0.000 0.216 256 R C 0.260 176.514 176.300 -0.078 0.000 0.905 256 R CA -0.201 55.835 56.100 -0.106 0.000 1.064 256 R CB 0.284 30.548 30.300 -0.060 0.000 1.046 256 R HN 0.044 nan 8.270 nan 0.000 0.508 257 V N 4.004 123.878 119.914 -0.067 0.000 2.557 257 V HA 0.000 4.120 4.120 -0.000 0.000 0.301 257 V C -1.987 174.057 176.094 -0.084 0.000 1.026 257 V CA -0.931 61.245 62.300 -0.206 0.000 1.137 257 V CB 0.409 31.898 31.823 -0.557 0.000 0.917 257 V HN 0.004 nan 8.190 nan 0.000 0.484 258 P HA 0.019 nan 4.420 nan 0.000 0.262 258 P C 0.399 177.658 177.300 -0.069 0.000 1.182 258 P CA 0.182 63.238 63.100 -0.074 0.000 0.761 258 P CB 0.449 32.103 31.700 -0.076 0.000 0.795 259 D N 4.918 125.325 120.400 0.011 0.000 2.170 259 D HA -0.190 4.450 4.640 -0.000 0.000 0.193 259 D C -0.604 175.683 176.300 -0.022 0.000 1.004 259 D CA 2.036 56.053 54.000 0.028 0.000 0.860 259 D CB -1.675 39.157 40.800 0.053 0.000 0.931 259 D HN 0.463 nan 8.370 nan 0.000 0.448 260 P HA -0.062 nan 4.420 nan 0.000 0.221 260 P C 1.207 178.495 177.300 -0.019 0.000 1.145 260 P CA 0.809 63.902 63.100 -0.011 0.000 0.795 260 P CB 0.033 31.730 31.700 -0.006 0.000 0.775 261 L N -2.148 119.031 121.223 -0.073 0.000 2.446 261 L HA 0.012 4.352 4.340 -0.000 0.000 0.219 261 L C 2.207 179.012 176.870 -0.109 0.000 1.116 261 L CA 0.233 55.028 54.840 -0.076 0.000 0.844 261 L CB -0.720 41.235 42.059 -0.173 0.000 0.970 261 L HN -0.037 nan 8.230 nan 0.000 0.457 262 L N 0.593 121.701 121.223 -0.192 0.000 2.010 262 L HA -0.239 4.101 4.340 -0.000 0.000 0.219 262 L C -0.055 176.837 176.870 0.037 0.000 1.077 262 L CA 2.072 56.779 54.840 -0.221 0.000 0.773 262 L CB -1.796 40.181 42.059 -0.136 0.000 0.892 262 L HN 0.243 nan 8.230 nan 0.000 0.436 263 P HA -0.182 nan 4.420 nan 0.000 0.215 263 P C 1.841 179.266 177.300 0.209 0.000 1.157 263 P CA 2.038 65.281 63.100 0.239 0.000 0.874 263 P CB -0.080 31.703 31.700 0.139 0.000 0.790 264 S N -2.492 113.302 115.700 0.158 0.000 2.402 264 S HA -0.183 4.287 4.470 -0.000 0.000 0.229 264 S C 2.009 176.697 174.600 0.148 0.000 1.021 264 S CA 0.855 59.142 58.200 0.145 0.000 0.974 264 S CB -1.756 61.523 63.200 0.131 0.000 0.800 264 S HN 0.166 nan 8.310 nan 0.000 0.484 265 Y N 0.357 120.601 120.300 -0.093 0.000 2.200 265 Y HA 0.024 4.574 4.550 -0.001 0.000 0.290 265 Y C 2.057 177.870 175.900 -0.145 0.000 1.137 265 Y CA 1.128 59.121 58.100 -0.178 0.000 1.163 265 Y CB -0.286 37.967 38.460 -0.345 0.000 0.988 265 Y HN 0.215 nan 8.280 nan 0.000 0.518 266 F N -0.035 119.991 119.950 0.125 0.000 2.146 266 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 266 F C 2.276 178.100 175.800 0.040 0.000 1.096 266 F CA 1.373 59.412 58.000 0.064 0.000 1.275 266 F CB -0.567 38.462 39.000 0.047 0.000 1.008 266 F HN -0.107 nan 8.300 nan 0.000 0.480 267 R N -0.130 120.509 120.500 0.230 0.000 2.090 267 R HA -0.033 4.307 4.340 -0.000 0.000 0.228 267 R C 1.956 178.301 176.300 0.075 0.000 1.110 267 R CA 1.138 57.316 56.100 0.129 0.000 0.973 267 R CB -0.478 29.884 30.300 0.104 0.000 0.869 267 R HN 0.314 nan 8.270 nan 0.000 0.440 268 L N 0.139 121.385 121.223 0.039 0.000 2.529 268 L HA 0.087 4.427 4.340 -0.000 0.000 0.223 268 L C 1.624 178.480 176.870 -0.023 0.000 1.113 268 L CA 0.423 55.258 54.840 -0.007 0.000 0.861 268 L CB 0.174 42.199 42.059 -0.057 0.000 1.012 268 L HN 0.143 nan 8.230 nan 0.000 0.461 269 L N -1.403 119.813 121.223 -0.012 0.000 2.781 269 L HA 0.204 4.544 4.340 -0.000 0.000 0.245 269 L C 0.838 177.752 176.870 0.073 0.000 1.118 269 L CA 0.071 54.916 54.840 0.010 0.000 0.918 269 L CB 0.568 42.597 42.059 -0.050 0.000 1.246 269 L HN 0.236 nan 8.230 nan 0.000 0.526 270 T N -5.454 109.158 114.554 0.097 0.000 2.864 270 T HA 0.334 4.684 4.350 -0.000 0.000 0.289 270 T C -0.289 174.458 174.700 0.079 0.000 1.082 270 T CA -0.622 61.546 62.100 0.113 0.000 1.009 270 T CB 2.319 71.308 68.868 0.201 0.000 1.234 270 T HN -0.133 nan 8.240 nan 0.000 0.526 271 D N 0.484 120.915 120.400 0.052 0.000 2.440 271 D HA 0.260 4.899 4.640 -0.000 0.000 0.216 271 D C 0.421 176.717 176.300 -0.007 0.000 1.150 271 D CA -0.135 53.875 54.000 0.016 0.000 0.832 271 D CB 0.248 41.043 40.800 -0.007 0.000 0.992 271 D HN 0.454 nan 8.370 nan 0.000 0.502 272 L N 1.781 123.004 121.223 -0.001 0.000 2.543 272 L HA -0.045 4.295 4.340 -0.000 0.000 0.285 272 L C 1.203 178.029 176.870 -0.074 0.000 1.236 272 L CA 0.311 55.102 54.840 -0.082 0.000 0.871 272 L CB 0.482 42.486 42.059 -0.092 0.000 1.121 272 L HN -0.172 nan 8.230 nan 0.000 0.501 273 E N 1.934 122.064 120.200 -0.118 0.000 2.408 273 E HA -0.083 4.267 4.350 -0.000 0.000 0.259 273 E C 0.701 177.272 176.600 -0.049 0.000 1.110 273 E CA -0.109 56.245 56.400 -0.076 0.000 0.929 273 E CB 0.688 30.333 29.700 -0.092 0.000 0.971 273 E HN 0.439 nan 8.360 nan 0.000 0.438 274 E N 2.025 122.212 120.200 -0.022 0.000 2.058 274 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 274 E C 1.398 177.998 176.600 0.001 0.000 0.997 274 E CA 1.779 58.176 56.400 -0.005 0.000 0.801 274 E CB 0.081 29.784 29.700 0.005 0.000 0.746 274 E HN 0.494 nan 8.360 nan 0.000 0.450 275 E N 0.066 120.270 120.200 0.007 0.000 2.077 275 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 275 E C 2.098 178.748 176.600 0.083 0.000 0.989 275 E CA 1.298 57.720 56.400 0.037 0.000 0.800 275 E CB -0.178 29.543 29.700 0.036 0.000 0.746 275 E HN 0.463 nan 8.360 nan 0.000 0.452 276 E N 0.715 120.951 120.200 0.059 0.000 2.077 276 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 276 E C 2.217 178.928 176.600 0.185 0.000 0.989 276 E CA 0.838 57.353 56.400 0.192 0.000 0.800 276 E CB -0.133 29.476 29.700 -0.151 0.000 0.746 276 E HN 0.295 nan 8.360 nan 0.000 0.452 277 I N 1.445 121.999 120.570 -0.028 0.000 2.163 277 I HA -0.251 3.919 4.170 -0.000 0.000 0.240 277 I C 2.287 178.351 176.117 -0.090 0.000 1.081 277 I CA 1.272 62.452 61.300 -0.201 0.000 1.353 277 I CB -0.317 37.578 38.000 -0.175 0.000 1.054 277 I HN 0.078 nan 8.210 nan 0.000 0.407 278 E N 0.945 121.138 120.200 -0.010 0.000 2.160 278 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 278 E C 2.195 178.811 176.600 0.027 0.000 0.991 278 E CA 1.297 57.704 56.400 0.012 0.000 0.810 278 E CB -0.168 29.545 29.700 0.022 0.000 0.742 278 E HN 0.537 nan 8.360 nan 0.000 0.466 279 A N 0.814 123.684 122.820 0.083 0.000 2.016 279 A HA -0.020 4.299 4.320 -0.000 0.000 0.217 279 A C 2.088 179.729 177.584 0.095 0.000 1.162 279 A CA 0.422 52.529 52.037 0.116 0.000 0.662 279 A CB -0.256 18.918 19.000 0.290 0.000 0.812 279 A HN 0.147 nan 8.150 nan 0.000 0.450 280 L N -0.576 120.701 121.223 0.090 0.000 2.109 280 L HA -0.067 4.272 4.340 -0.000 0.000 0.207 280 L C 2.372 179.234 176.870 -0.013 0.000 1.086 280 L CA 0.854 55.703 54.840 0.017 0.000 0.760 280 L CB -0.201 41.745 42.059 -0.189 0.000 0.910 280 L HN 0.391 nan 8.230 nan 0.000 0.437 281 L N -0.467 120.744 121.223 -0.021 0.000 2.109 281 L HA -0.220 4.119 4.340 -0.000 0.000 0.207 281 L C 2.479 179.346 176.870 -0.006 0.000 1.086 281 L CA 1.048 55.896 54.840 0.014 0.000 0.760 281 L CB -0.448 41.628 42.059 0.028 0.000 0.910 281 L HN 0.223 nan 8.230 nan 0.000 0.437 282 K N 0.696 121.079 120.400 -0.029 0.000 2.360 282 K HA -0.131 4.188 4.320 -0.000 0.000 0.201 282 K C 1.863 178.407 176.600 -0.094 0.000 1.046 282 K CA 1.035 57.289 56.287 -0.055 0.000 0.945 282 K CB 0.061 32.521 32.500 -0.066 0.000 0.750 282 K HN 0.287 nan 8.250 nan 0.000 0.464 283 A N 0.545 123.298 122.820 -0.112 0.000 2.123 283 A HA 0.269 4.589 4.320 -0.000 0.000 0.214 283 A C 0.659 178.207 177.584 -0.059 0.000 1.152 283 A CA 0.792 52.742 52.037 -0.145 0.000 0.728 283 A CB -0.061 18.826 19.000 -0.188 0.000 0.814 283 A HN 0.457 nan 8.150 nan 0.000 0.464 284 G N -2.114 106.677 108.800 -0.015 0.000 2.465 284 G HA2 0.102 4.061 3.960 -0.000 0.000 0.681 284 G HA3 0.102 4.061 3.960 -0.000 0.000 0.681 284 G C -2.125 172.814 174.900 0.065 0.000 1.340 284 G CA -0.327 44.783 45.100 0.017 0.000 0.884 284 G HN -0.061 nan 8.290 nan 0.000 0.650 285 P HA -0.059 nan 4.420 nan 0.000 0.213 285 P C 2.267 179.733 177.300 0.278 0.000 1.170 285 P CA 1.833 65.040 63.100 0.178 0.000 0.898 285 P CB 0.118 31.895 31.700 0.129 0.000 0.787 286 V N 0.366 120.366 119.914 0.143 0.000 2.287 286 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 286 V C -0.485 175.695 176.094 0.143 0.000 1.053 286 V CA 2.761 65.131 62.300 0.116 0.000 1.027 286 V CB -2.369 29.493 31.823 0.064 0.000 0.646 286 V HN 0.186 nan 8.190 nan 0.000 0.447 287 P HA -0.179 nan 4.420 nan 0.000 0.215 287 P C 1.767 179.125 177.300 0.097 0.000 1.157 287 P CA 2.162 65.315 63.100 0.088 0.000 0.868 287 P CB -0.210 31.526 31.700 0.060 0.000 0.788 288 A N -0.750 122.142 122.820 0.121 0.000 1.883 288 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 288 A C 2.009 179.680 177.584 0.145 0.000 1.186 288 A CA 2.058 54.196 52.037 0.168 0.000 0.624 288 A CB -2.006 17.108 19.000 0.190 0.000 0.822 288 A HN 0.237 nan 8.150 nan 0.000 0.444 289 H N -0.759 118.325 119.070 0.024 0.000 2.422 289 H HA -0.056 4.499 4.556 -0.000 0.000 0.298 289 H C 2.359 177.597 175.328 -0.150 0.000 1.098 289 H CA 1.849 57.836 56.048 -0.101 0.000 1.315 289 H CB -0.036 29.647 29.762 -0.130 0.000 1.382 289 H HN 0.467 nan 8.280 nan 0.000 0.523 290 R N -0.346 120.188 120.500 0.055 0.000 2.066 290 R HA -0.082 4.258 4.340 -0.000 0.000 0.232 290 R C 2.261 178.548 176.300 -0.021 0.000 1.131 290 R CA 1.349 57.463 56.100 0.023 0.000 0.955 290 R CB -0.302 30.061 30.300 0.106 0.000 0.851 290 R HN 0.148 nan 8.270 nan 0.000 0.432 291 V N 1.591 121.489 119.914 -0.027 0.000 2.343 291 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 291 V C 2.227 178.307 176.094 -0.022 0.000 1.051 291 V CA 1.578 63.806 62.300 -0.121 0.000 1.036 291 V CB -0.499 31.192 31.823 -0.219 0.000 0.654 291 V HN 0.248 nan 8.190 nan 0.000 0.451 292 L N 1.066 122.316 121.223 0.044 0.000 2.017 292 L HA -0.075 4.264 4.340 -0.000 0.000 0.208 292 L C 2.452 179.260 176.870 -0.103 0.000 1.073 292 L CA 2.456 57.271 54.840 -0.042 0.000 0.745 292 L CB -0.938 40.906 42.059 -0.359 0.000 0.894 292 L HN 0.198 nan 8.230 nan 0.000 0.432 293 A N -0.514 122.149 122.820 -0.261 0.000 1.933 293 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 293 A C 2.414 179.893 177.584 -0.175 0.000 1.175 293 A CA 1.780 53.522 52.037 -0.492 0.000 0.628 293 A CB -0.529 17.674 19.000 -1.329 0.000 0.814 293 A HN 0.536 nan 8.150 nan 0.000 0.444 294 R N -0.744 119.779 120.500 0.039 0.000 2.057 294 R HA 0.043 4.383 4.340 -0.000 0.000 0.229 294 R C 2.123 178.585 176.300 0.270 0.000 1.136 294 R CA 1.298 57.563 56.100 0.275 0.000 0.952 294 R CB -0.530 29.849 30.300 0.131 0.000 0.848 294 R HN 0.475 nan 8.270 nan 0.000 0.430 295 L N 0.728 122.090 121.223 0.232 0.000 1.990 295 L HA -0.254 4.085 4.340 -0.000 0.000 0.213 295 L C 2.394 179.473 176.870 0.348 0.000 1.072 295 L CA 1.533 56.567 54.840 0.322 0.000 0.755 295 L CB -0.404 41.813 42.059 0.263 0.000 0.889 295 L HN 0.239 nan 8.230 nan 0.000 0.432 296 L N -1.621 119.756 121.223 0.256 0.000 2.131 296 L HA -0.132 4.208 4.340 -0.000 0.000 0.206 296 L C 2.576 179.657 176.870 0.352 0.000 1.087 296 L CA 1.109 56.137 54.840 0.313 0.000 0.767 296 L CB -0.843 41.369 42.059 0.254 0.000 0.917 296 L HN 0.252 nan 8.230 nan 0.000 0.441 297 T N 0.330 115.054 114.554 0.283 0.000 2.684 297 T HA -0.203 4.146 4.350 -0.000 0.000 0.267 297 T C 2.046 176.920 174.700 0.291 0.000 1.036 297 T CA 1.540 63.823 62.100 0.304 0.000 1.148 297 T CB -0.231 68.877 68.868 0.400 0.000 0.863 297 T HN 0.439 nan 8.240 nan 0.000 0.436 298 A N 1.613 124.613 122.820 0.299 0.000 1.845 298 A HA 0.127 4.446 4.320 -0.000 0.000 0.215 298 A C 2.702 180.456 177.584 0.283 0.000 1.195 298 A CA 2.045 54.248 52.037 0.277 0.000 0.616 298 A CB -1.371 17.787 19.000 0.264 0.000 0.832 298 A HN 0.507 nan 8.150 nan 0.000 0.443 299 A N -1.372 121.637 122.820 0.315 0.000 1.903 299 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 299 A C 1.993 179.436 177.584 -0.235 0.000 1.191 299 A CA 1.923 53.958 52.037 -0.003 0.000 0.638 299 A CB -0.928 17.938 19.000 -0.223 0.000 0.823 299 A HN 0.636 nan 8.150 nan 0.000 0.451 300 Y N -0.813 119.552 120.300 0.108 0.000 2.529 300 Y HA 0.324 4.874 4.550 -0.000 0.000 0.290 300 Y C 2.368 178.312 175.900 0.072 0.000 1.177 300 Y CA 0.190 58.330 58.100 0.068 0.000 1.305 300 Y CB -0.198 38.298 38.460 0.060 0.000 1.047 300 Y HN 0.344 nan 8.280 nan 0.000 0.522 301 A N -0.551 122.371 122.820 0.171 0.000 2.147 301 A HA 0.195 4.515 4.320 -0.000 0.000 0.211 301 A C 0.854 178.491 177.584 0.090 0.000 1.160 301 A CA 0.023 52.142 52.037 0.135 0.000 0.781 301 A CB -0.348 18.735 19.000 0.137 0.000 0.842 301 A HN 0.252 nan 8.150 nan 0.000 0.475 302 L N 0.013 121.276 121.223 0.066 0.000 2.466 302 L HA 0.195 4.534 4.340 -0.000 0.000 0.257 302 L C -0.936 175.943 176.870 0.014 0.000 1.189 302 L CA -1.684 53.178 54.840 0.036 0.000 0.813 302 L CB 0.366 42.437 42.059 0.020 0.000 1.118 302 L HN 0.082 nan 8.230 nan 0.000 0.471 303 P HA -0.132 nan 4.420 nan 0.000 0.221 303 P C -0.120 177.162 177.300 -0.030 0.000 1.150 303 P CA 1.073 64.169 63.100 -0.006 0.000 0.800 303 P CB 0.458 32.154 31.700 -0.007 0.000 0.787 304 Q N 0.025 119.793 119.800 -0.052 0.000 2.320 304 Q HA 0.384 4.724 4.340 -0.000 0.000 0.272 304 Q C -0.383 175.533 176.000 -0.141 0.000 1.023 304 Q CA -0.930 54.820 55.803 -0.089 0.000 0.855 304 Q CB 2.076 30.766 28.738 -0.081 0.000 1.367 304 Q HN -0.009 nan 8.270 nan 0.000 0.406 305 I N 0.843 121.283 120.570 -0.217 0.000 2.938 305 I HA 0.484 4.654 4.170 -0.000 0.000 0.285 305 I C -2.076 173.866 176.117 -0.291 0.000 1.182 305 I CA -1.660 59.441 61.300 -0.331 0.000 1.388 305 I CB 0.220 37.949 38.000 -0.453 0.000 1.390 305 I HN 0.474 nan 8.210 nan 0.000 0.600 306 P HA 0.273 nan 4.420 nan 0.000 0.274 306 P C -2.333 174.809 177.300 -0.264 0.000 1.256 306 P CA -1.342 61.557 63.100 -0.335 0.000 0.795 306 P CB -0.072 31.305 31.700 -0.538 0.000 1.038 307 P HA 0.013 nan 4.420 nan 0.000 0.221 307 P C 0.000 177.229 177.300 -0.119 0.000 1.150 307 P CA 1.401 64.431 63.100 -0.117 0.000 0.800 307 P CB 0.280 31.939 31.700 -0.069 0.000 0.787 308 R N -0.357 120.057 120.500 -0.142 0.000 2.538 308 R HA 0.482 4.822 4.340 -0.000 0.000 0.292 308 R C -0.701 175.509 176.300 -0.150 0.000 1.008 308 R CA -0.522 55.515 56.100 -0.105 0.000 0.896 308 R CB 1.883 32.158 30.300 -0.042 0.000 1.187 308 R HN -0.071 nan 8.270 nan 0.000 0.440 309 I N 4.187 124.695 120.570 -0.104 0.000 2.317 309 I HA 0.168 4.338 4.170 -0.000 0.000 0.286 309 I C -0.467 175.714 176.117 0.107 0.000 1.119 309 I CA -0.315 60.967 61.300 -0.030 0.000 1.228 309 I CB -0.100 37.883 38.000 -0.028 0.000 1.476 309 I HN 0.674 nan 8.210 nan 0.000 0.514 310 D N 3.441 123.935 120.400 0.157 0.000 2.758 310 D HA 0.254 4.894 4.640 -0.000 0.000 0.262 310 D C 1.080 177.444 176.300 0.106 0.000 1.113 310 D CA -0.836 53.209 54.000 0.075 0.000 1.114 310 D CB 0.663 41.464 40.800 0.001 0.000 1.363 310 D HN 0.054 nan 8.370 nan 0.000 0.617 311 R N -0.398 120.057 120.500 -0.075 0.000 2.083 311 R HA -0.119 4.221 4.340 -0.000 0.000 0.237 311 R C 1.995 178.349 176.300 0.090 0.000 1.137 311 R CA 1.874 57.917 56.100 -0.096 0.000 0.951 311 R CB -0.752 29.292 30.300 -0.427 0.000 0.851 311 R HN 0.498 nan 8.270 nan 0.000 0.434 312 A N 0.495 123.349 122.820 0.055 0.000 1.917 312 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 312 A C 2.002 179.685 177.584 0.165 0.000 1.182 312 A CA 1.546 53.635 52.037 0.086 0.000 0.633 312 A CB -0.848 18.190 19.000 0.063 0.000 0.819 312 A HN 0.577 nan 8.150 nan 0.000 0.448 313 F N -1.083 118.910 119.950 0.071 0.000 2.186 313 F HA -0.113 4.414 4.527 -0.000 0.000 0.299 313 F C 2.040 177.944 175.800 0.174 0.000 1.090 313 F CA 1.374 59.430 58.000 0.093 0.000 1.307 313 F CB -0.637 38.410 39.000 0.079 0.000 1.019 313 F HN 0.358 nan 8.300 nan 0.000 0.489 314 Y N 1.694 121.979 120.300 -0.024 0.000 2.181 314 Y HA -0.195 4.355 4.550 -0.000 0.000 0.288 314 Y C 2.242 178.161 175.900 0.032 0.000 1.146 314 Y CA 2.320 60.400 58.100 -0.033 0.000 1.164 314 Y CB -0.657 37.879 38.460 0.128 0.000 0.982 314 Y HN 0.270 nan 8.280 nan 0.000 0.515 315 E N -0.912 119.293 120.200 0.008 0.000 2.152 315 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 315 E C 2.192 178.721 176.600 -0.118 0.000 0.983 315 E CA 1.134 57.491 56.400 -0.071 0.000 0.818 315 E CB -0.292 29.424 29.700 0.026 0.000 0.758 315 E HN 0.517 nan 8.360 nan 0.000 0.467 316 S N 0.761 116.405 115.700 -0.093 0.000 2.547 316 S HA -0.028 4.442 4.470 -0.000 0.000 0.235 316 S C 1.809 176.303 174.600 -0.177 0.000 0.980 316 S CA 0.447 58.593 58.200 -0.089 0.000 0.941 316 S CB -0.229 62.971 63.200 0.000 0.000 0.763 316 S HN 0.187 nan 8.310 nan 0.000 0.532 317 L N 0.453 121.507 121.223 -0.281 0.000 2.529 317 L HA 0.333 4.672 4.340 -0.000 0.000 0.223 317 L C 1.673 178.280 176.870 -0.437 0.000 1.113 317 L CA 0.393 55.036 54.840 -0.328 0.000 0.861 317 L CB -0.430 41.458 42.059 -0.284 0.000 1.012 317 L HN 0.592 nan 8.230 nan 0.000 0.461 318 G N -0.838 107.729 108.800 -0.388 0.000 2.164 318 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.212 318 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.212 318 G C -0.397 174.182 174.900 -0.535 0.000 1.031 318 G CA -0.530 44.327 45.100 -0.404 0.000 0.730 318 G HN 0.154 nan 8.290 nan 0.000 0.501 319 Y N -0.302 119.775 120.300 -0.372 0.000 2.602 319 Y HA 0.757 5.307 4.550 -0.000 0.000 0.330 319 Y C 0.531 176.261 175.900 -0.284 0.000 1.114 319 Y CA -0.590 57.241 58.100 -0.448 0.000 1.182 319 Y CB 2.009 39.821 38.460 -1.080 0.000 1.305 319 Y HN 0.562 nan 8.280 nan 0.000 0.502 320 A N 1.534 124.395 122.820 0.070 0.000 2.291 320 A HA 0.185 4.505 4.320 -0.000 0.000 0.311 320 A C 0.322 178.012 177.584 0.178 0.000 1.224 320 A CA -0.768 51.334 52.037 0.108 0.000 0.821 320 A CB 0.134 19.180 19.000 0.077 0.000 1.172 320 A HN 1.113 nan 8.150 nan 0.000 0.494 321 W N 2.476 123.802 121.300 0.043 0.000 2.364 321 W HA -0.131 4.529 4.660 -0.001 0.000 0.281 321 W C 0.549 176.818 176.519 -0.417 0.000 1.219 321 W CA 1.791 59.070 57.345 -0.109 0.000 1.220 321 W CB 0.314 29.708 29.460 -0.110 0.000 1.127 321 W HN 0.837 nan 8.180 nan 0.000 0.556 322 E N 0.278 120.389 120.200 -0.149 0.000 2.158 322 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 322 E C 2.172 178.876 176.600 0.174 0.000 0.982 322 E CA 1.170 57.561 56.400 -0.015 0.000 0.823 322 E CB -0.702 29.081 29.700 0.138 0.000 0.766 322 E HN 0.262 nan 8.360 nan 0.000 0.468 323 A N 0.513 123.376 122.820 0.072 0.000 2.235 323 A HA 0.002 4.322 4.320 -0.000 0.000 0.208 323 A C 0.011 177.697 177.584 0.169 0.000 1.172 323 A CA -0.323 51.793 52.037 0.131 0.000 0.786 323 A CB -0.893 18.164 19.000 0.095 0.000 0.804 323 A HN 0.163 nan 8.150 nan 0.000 0.479 324 F N -0.763 119.077 119.950 -0.184 0.000 2.399 324 F HA -0.201 4.325 4.527 -0.000 0.000 0.169 324 F C 1.630 177.341 175.800 -0.147 0.000 1.037 324 F CA 1.280 59.111 58.000 -0.282 0.000 0.818 324 F CB -1.642 37.173 39.000 -0.309 0.000 0.722 324 F HN 0.619 nan 8.300 nan 0.000 0.823 325 G N 0.132 108.941 108.800 0.014 0.000 2.363 325 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.238 325 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.238 325 G C 1.453 176.409 174.900 0.093 0.000 1.062 325 G CA 0.267 45.399 45.100 0.053 0.000 0.629 325 G HN 0.526 nan 8.290 nan 0.000 0.514 326 R N 1.246 121.805 120.500 0.098 0.000 2.152 326 R HA 0.004 4.344 4.340 -0.000 0.000 0.232 326 R C 1.093 177.460 176.300 0.112 0.000 1.117 326 R CA 1.382 57.540 56.100 0.097 0.000 0.981 326 R CB -0.445 29.904 30.300 0.083 0.000 0.870 326 R HN 0.602 nan 8.270 nan 0.000 0.451 327 D N 1.447 121.927 120.400 0.133 0.000 2.629 327 D HA -0.093 4.546 4.640 -0.000 0.000 0.259 327 D C 0.975 177.419 176.300 0.241 0.000 1.305 327 D CA 0.357 54.459 54.000 0.170 0.000 0.937 327 D CB -0.289 40.638 40.800 0.212 0.000 1.055 327 D HN 0.113 nan 8.370 nan 0.000 0.471 328 K N 0.280 120.789 120.400 0.183 0.000 2.442 328 K HA -0.201 4.118 4.320 -0.000 0.000 0.199 328 K C 1.149 177.847 176.600 0.164 0.000 1.044 328 K CA 0.870 57.272 56.287 0.192 0.000 0.941 328 K CB 0.202 32.783 32.500 0.136 0.000 0.759 328 K HN 0.043 nan 8.250 nan 0.000 0.472 329 E N -0.564 119.704 120.200 0.113 0.000 2.476 329 E HA 0.159 4.509 4.350 -0.000 0.000 0.199 329 E C 0.074 176.675 176.600 0.001 0.000 1.021 329 E CA 0.037 56.468 56.400 0.052 0.000 0.907 329 E CB 0.655 30.372 29.700 0.030 0.000 0.974 329 E HN 0.383 nan 8.360 nan 0.000 0.489 330 A N -0.345 122.463 122.820 -0.020 0.000 3.204 330 A HA 0.750 5.069 4.320 -0.000 0.000 0.197 330 A C 0.929 178.253 177.584 -0.433 0.000 1.915 330 A CA -0.016 51.899 52.037 -0.204 0.000 0.878 330 A CB -0.757 18.096 19.000 -0.244 0.000 1.868 330 A HN 0.329 nan 8.150 nan 0.000 0.685 331 G N -1.462 106.816 108.800 -0.870 0.000 2.877 331 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.279 331 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.279 331 G C -2.153 172.510 174.900 -0.394 0.000 1.431 331 G CA -0.201 44.270 45.100 -1.049 0.000 0.883 331 G HN 0.850 nan 8.290 nan 0.000 0.547 332 P HA 0.116 nan 4.420 nan 0.000 0.273 332 P C 0.756 178.018 177.300 -0.063 0.000 1.258 332 P CA 0.172 63.208 63.100 -0.106 0.000 0.802 332 P CB 0.551 32.227 31.700 -0.040 0.000 1.040 333 E N 0.722 120.898 120.200 -0.039 0.000 2.008 333 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 333 E C 1.897 178.486 176.600 -0.018 0.000 0.986 333 E CA 1.412 57.795 56.400 -0.029 0.000 0.807 333 E CB -0.633 29.054 29.700 -0.021 0.000 0.766 333 E HN 0.518 nan 8.360 nan 0.000 0.450 334 E N 0.665 120.865 120.200 -0.000 0.000 2.065 334 E HA -0.186 4.163 4.350 -0.000 0.000 0.201 334 E C 2.292 178.885 176.600 -0.012 0.000 1.016 334 E CA 1.664 58.067 56.400 0.006 0.000 0.818 334 E CB -0.231 29.491 29.700 0.036 0.000 0.749 334 E HN 0.014 nan 8.360 nan 0.000 0.453 335 V N 1.699 121.629 119.914 0.027 0.000 2.233 335 V HA -0.324 3.795 4.120 -0.000 0.000 0.247 335 V C 2.615 178.668 176.094 -0.067 0.000 1.050 335 V CA 2.407 64.728 62.300 0.036 0.000 1.010 335 V CB -0.790 31.152 31.823 0.198 0.000 0.637 335 V HN 0.334 nan 8.190 nan 0.000 0.444 336 R N 0.513 121.017 120.500 0.007 0.000 2.117 336 R HA -0.229 4.111 4.340 -0.000 0.000 0.243 336 R C 2.307 178.562 176.300 -0.076 0.000 1.143 336 R CA 2.125 58.222 56.100 -0.005 0.000 0.968 336 R CB -0.395 29.899 30.300 -0.010 0.000 0.863 336 R HN 0.442 nan 8.270 nan 0.000 0.444 337 R N 0.337 120.788 120.500 -0.081 0.000 2.057 337 R HA 0.057 4.397 4.340 -0.000 0.000 0.229 337 R C 2.600 178.818 176.300 -0.135 0.000 1.136 337 R CA 1.281 57.333 56.100 -0.080 0.000 0.952 337 R CB -0.443 29.828 30.300 -0.048 0.000 0.848 337 R HN 0.339 nan 8.270 nan 0.000 0.430 338 A N 1.305 124.005 122.820 -0.199 0.000 1.948 338 A HA -0.265 4.055 4.320 -0.000 0.000 0.220 338 A C 2.046 179.318 177.584 -0.519 0.000 1.177 338 A CA 1.801 53.668 52.037 -0.283 0.000 0.636 338 A CB -0.493 18.340 19.000 -0.279 0.000 0.815 338 A HN 0.458 nan 8.150 nan 0.000 0.449 339 E N -0.386 119.346 120.200 -0.781 0.000 2.204 339 E HA -0.048 4.302 4.350 -0.000 0.000 0.194 339 E C 2.015 178.539 176.600 -0.127 0.000 0.989 339 E CA 0.856 56.836 56.400 -0.700 0.000 0.824 339 E CB -0.215 29.217 29.700 -0.446 0.000 0.756 339 E HN 0.571 nan 8.360 nan 0.000 0.477 340 A N 1.311 124.068 122.820 -0.104 0.000 1.897 340 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 340 A C 2.078 179.660 177.584 -0.003 0.000 1.181 340 A CA 0.822 52.845 52.037 -0.024 0.000 0.620 340 A CB -0.274 18.709 19.000 -0.029 0.000 0.821 340 A HN 0.102 nan 8.150 nan 0.000 0.443 341 R N -1.382 119.111 120.500 -0.013 0.000 2.127 341 R HA -0.167 4.172 4.340 -0.000 0.000 0.238 341 R C 1.915 178.252 176.300 0.063 0.000 1.134 341 R CA 1.694 57.804 56.100 0.016 0.000 0.975 341 R CB -1.122 29.188 30.300 0.018 0.000 0.865 341 R HN 0.744 nan 8.270 nan 0.000 0.447 342 Y N 1.832 122.122 120.300 -0.015 0.000 2.206 342 Y HA -0.017 4.533 4.550 -0.001 0.000 0.292 342 Y C 0.702 176.625 175.900 0.038 0.000 1.123 342 Y CA 0.495 58.624 58.100 0.049 0.000 1.142 342 Y CB 0.002 38.559 38.460 0.163 0.000 1.006 342 Y HN -0.050 nan 8.280 nan 0.000 0.518 354 I N 2.943 123.486 120.570 -0.045 0.000 2.741 354 I HA 0.192 4.362 4.170 -0.000 0.000 0.288 354 I C -1.984 174.131 176.117 -0.003 0.000 1.192 354 I CA -1.311 59.976 61.300 -0.020 0.000 1.426 354 I CB 0.727 38.709 38.000 -0.029 0.000 1.367 354 I HN 0.129 nan 8.210 nan 0.000 0.563 355 P HA 0.014 nan 4.420 nan 0.000 0.268 355 P C -0.483 176.815 177.300 -0.004 0.000 1.208 355 P CA 0.065 63.168 63.100 0.005 0.000 0.777 355 P CB 0.515 32.222 31.700 0.011 0.000 0.875 356 E N 1.516 121.710 120.200 -0.011 0.000 2.272 356 E HA 0.438 4.788 4.350 -0.000 0.000 0.269 356 E C -1.836 174.751 176.600 -0.021 0.000 0.877 356 E CA -0.720 55.669 56.400 -0.017 0.000 0.755 356 E CB 1.825 31.516 29.700 -0.016 0.000 1.192 356 E HN 0.062 nan 8.360 nan 0.000 0.422 357 V N 3.257 123.154 119.914 -0.029 0.000 2.577 357 V HA 0.329 4.449 4.120 -0.000 0.000 0.303 357 V C -0.239 175.838 176.094 -0.028 0.000 1.042 357 V CA -0.727 61.555 62.300 -0.029 0.000 0.872 357 V CB 2.090 33.889 31.823 -0.039 0.000 0.998 357 V HN 0.695 nan 8.190 nan 0.000 0.423 358 T N 6.133 120.675 114.554 -0.020 0.000 2.845 358 T HA 0.531 4.881 4.350 -0.000 0.000 0.288 358 T C -0.178 174.513 174.700 -0.014 0.000 0.980 358 T CA -0.258 61.833 62.100 -0.016 0.000 1.071 358 T CB 0.779 69.641 68.868 -0.010 0.000 0.941 358 T HN 0.296 nan 8.240 nan 0.000 0.487 359 I N 4.853 125.415 120.570 -0.012 0.000 2.312 359 I HA 0.319 4.489 4.170 -0.000 0.000 0.290 359 I C -2.196 173.921 176.117 0.001 0.000 1.008 359 I CA -3.398 57.898 61.300 -0.006 0.000 1.226 359 I CB 0.588 38.584 38.000 -0.007 0.000 1.371 359 I HN 0.315 nan 8.210 nan 0.000 0.468 360 P HA 0.066 nan 4.420 nan 0.000 0.267 360 P C 0.732 178.039 177.300 0.010 0.000 1.200 360 P CA -0.002 63.102 63.100 0.007 0.000 0.772 360 P CB 0.855 32.560 31.700 0.008 0.000 0.855 361 A N 2.579 125.405 122.820 0.009 0.000 2.024 361 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 361 A C 2.113 179.706 177.584 0.015 0.000 1.164 361 A CA 2.074 54.117 52.037 0.012 0.000 0.643 361 A CB -1.564 17.442 19.000 0.009 0.000 0.806 361 A HN 0.622 nan 8.150 nan 0.000 0.451 362 S N -0.131 115.578 115.700 0.015 0.000 2.399 362 S HA -0.163 4.306 4.470 -0.000 0.000 0.231 362 S C 1.467 176.081 174.600 0.024 0.000 1.022 362 S CA 1.286 59.496 58.200 0.017 0.000 0.983 362 S CB -0.334 62.875 63.200 0.015 0.000 0.803 362 S HN 0.557 nan 8.310 nan 0.000 0.480 363 E N 0.723 120.938 120.200 0.026 0.000 2.338 363 E HA 0.126 4.475 4.350 -0.000 0.000 0.197 363 E C 0.390 177.017 176.600 0.045 0.000 1.007 363 E CA 0.252 56.674 56.400 0.038 0.000 0.849 363 E CB -0.185 29.536 29.700 0.035 0.000 0.774 363 E HN 0.446 nan 8.360 nan 0.000 0.506 364 L N 0.395 121.639 121.223 0.035 0.000 2.399 364 L HA 0.357 4.697 4.340 -0.000 0.000 0.265 364 L C 0.214 177.103 176.870 0.031 0.000 1.089 364 L CA -0.305 54.557 54.840 0.037 0.000 0.802 364 L CB 0.801 42.877 42.059 0.029 0.000 1.180 364 L HN -0.190 nan 8.230 nan 0.000 0.454 365 K N 1.443 121.862 120.400 0.032 0.000 2.616 365 K HA 0.286 4.606 4.320 -0.000 0.000 0.241 365 K C -0.542 176.070 176.600 0.019 0.000 0.961 365 K CA -0.150 56.150 56.287 0.022 0.000 0.942 365 K CB 0.403 32.915 32.500 0.020 0.000 1.153 365 K HN 0.555 nan 8.250 nan 0.000 0.452 366 E N 2.493 122.702 120.200 0.015 0.000 2.416 366 E HA -0.244 4.106 4.350 -0.000 0.000 0.249 366 E C 0.356 176.966 176.600 0.017 0.000 1.124 366 E CA 0.643 57.051 56.400 0.013 0.000 0.732 366 E CB -1.535 28.171 29.700 0.010 0.000 1.286 366 E HN 1.138 nan 8.360 nan 0.000 0.394 367 G N 0.045 108.856 108.800 0.019 0.000 2.168 367 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.263 367 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.263 367 G C 0.195 175.112 174.900 0.028 0.000 0.977 367 G CA 0.896 46.008 45.100 0.020 0.000 0.659 367 G HN 0.322 nan 8.290 nan 0.000 0.533 368 R N -0.936 119.584 120.500 0.034 0.000 2.795 368 R HA 0.834 5.174 4.340 -0.000 0.000 0.275 368 R C -0.721 175.618 176.300 0.066 0.000 0.981 368 R CA -0.828 55.301 56.100 0.048 0.000 0.917 368 R CB 2.327 32.655 30.300 0.047 0.000 1.202 368 R HN 0.272 nan 8.270 nan 0.000 0.469 369 I N 0.165 120.791 120.570 0.092 0.000 2.865 369 I HA 0.349 4.519 4.170 -0.000 0.000 0.302 369 I C -1.226 175.023 176.117 0.220 0.000 1.140 369 I CA -0.981 60.400 61.300 0.134 0.000 1.021 369 I CB 1.933 39.995 38.000 0.103 0.000 1.233 369 I HN 0.646 nan 8.210 nan 0.000 0.427 370 W N 6.285 127.605 121.300 0.032 0.000 2.308 370 W HA 0.165 4.825 4.660 -0.001 0.000 0.324 370 W C 0.906 177.465 176.519 0.066 0.000 1.387 370 W CA -0.220 57.149 57.345 0.039 0.000 1.250 370 W CB 0.776 30.253 29.460 0.030 0.000 1.257 370 W HN 0.419 nan 8.180 nan 0.000 0.554 371 V N 7.171 127.186 119.914 0.168 0.000 2.380 371 V HA -0.316 3.803 4.120 -0.000 0.000 0.251 371 V C 2.048 178.054 176.094 -0.146 0.000 1.063 371 V CA 3.167 65.496 62.300 0.049 0.000 1.055 371 V CB -0.873 31.006 31.823 0.093 0.000 0.657 371 V HN 0.779 nan 8.190 nan 0.000 0.455 372 A N 0.172 122.525 122.820 -0.777 0.000 1.883 372 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 372 A C 2.276 179.553 177.584 -0.511 0.000 1.186 372 A CA 2.222 53.713 52.037 -0.909 0.000 0.624 372 A CB -0.709 17.136 19.000 -1.925 0.000 0.822 372 A HN 0.561 nan 8.150 nan 0.000 0.444 373 R N -0.684 119.556 120.500 -0.432 0.000 2.115 373 R HA -0.049 4.290 4.340 -0.000 0.000 0.230 373 R C 1.819 178.103 176.300 -0.027 0.000 1.111 373 R CA 1.337 57.373 56.100 -0.107 0.000 0.976 373 R CB -0.872 29.480 30.300 0.087 0.000 0.870 373 R HN 0.414 nan 8.270 nan 0.000 0.445 374 L N -0.461 120.762 121.223 -0.001 0.000 2.017 374 L HA -0.051 4.288 4.340 -0.000 0.000 0.208 374 L C 1.769 178.604 176.870 -0.057 0.000 1.073 374 L CA 1.777 56.608 54.840 -0.015 0.000 0.745 374 L CB -0.683 41.368 42.059 -0.013 0.000 0.894 374 L HN 0.157 nan 8.230 nan 0.000 0.432 375 F N -0.706 119.170 119.950 -0.124 0.000 2.186 375 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 375 F C 2.421 178.161 175.800 -0.100 0.000 1.090 375 F CA 1.717 59.649 58.000 -0.112 0.000 1.307 375 F CB -1.115 37.801 39.000 -0.140 0.000 1.019 375 F HN 0.047 nan 8.300 nan 0.000 0.489 376 T N 0.427 115.020 114.554 0.065 0.000 2.737 376 T HA -0.127 4.222 4.350 -0.000 0.000 0.265 376 T C 2.120 176.818 174.700 -0.003 0.000 1.038 376 T CA 0.793 62.899 62.100 0.009 0.000 1.144 376 T CB -0.388 68.463 68.868 -0.028 0.000 0.866 376 T HN 0.030 nan 8.240 nan 0.000 0.434 377 L N 1.130 122.346 121.223 -0.011 0.000 2.201 377 L HA 0.096 4.436 4.340 -0.000 0.000 0.212 377 L C 2.625 179.476 176.870 -0.032 0.000 1.105 377 L CA 1.348 56.178 54.840 -0.016 0.000 0.775 377 L CB -1.380 40.672 42.059 -0.013 0.000 0.913 377 L HN 0.261 nan 8.230 nan 0.000 0.440 378 A N -1.297 121.489 122.820 -0.057 0.000 2.119 378 A HA 0.251 4.570 4.320 -0.000 0.000 0.216 378 A C 1.724 179.280 177.584 -0.047 0.000 1.152 378 A CA 0.980 52.969 52.037 -0.080 0.000 0.708 378 A CB -0.321 18.577 19.000 -0.170 0.000 0.805 378 A HN 0.550 nan 8.150 nan 0.000 0.460 379 G N -1.475 107.311 108.800 -0.023 0.000 2.141 379 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.231 379 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.231 379 G C 0.667 175.569 174.900 0.005 0.000 0.984 379 G CA 0.400 45.495 45.100 -0.008 0.000 0.660 379 G HN 0.426 nan 8.290 nan 0.000 0.525 380 L N 0.739 121.976 121.223 0.023 0.000 2.509 380 L HA 0.268 4.608 4.340 -0.000 0.000 0.222 380 L C 1.421 178.332 176.870 0.068 0.000 1.123 380 L CA 1.441 56.318 54.840 0.062 0.000 0.856 380 L CB 0.111 42.252 42.059 0.137 0.000 0.985 380 L HN 0.554 nan 8.230 nan 0.000 0.456 381 T N -5.295 109.291 114.554 0.053 0.000 2.916 381 T HA 0.333 4.683 4.350 -0.000 0.000 0.305 381 T C -2.223 172.474 174.700 -0.005 0.000 1.119 381 T CA -1.470 60.636 62.100 0.010 0.000 1.008 381 T CB 2.165 71.025 68.868 -0.013 0.000 1.129 381 T HN -0.270 nan 8.240 nan 0.000 0.480 382 P HA 0.082 nan 4.420 nan 0.000 0.225 382 P C 0.415 177.705 177.300 -0.017 0.000 1.156 382 P CA 0.358 63.450 63.100 -0.014 0.000 0.787 382 P CB 0.194 31.886 31.700 -0.014 0.000 0.802 383 S N -2.256 113.425 115.700 -0.032 0.000 2.643 383 S HA 0.327 4.797 4.470 -0.000 0.000 0.270 383 S C 0.584 175.134 174.600 -0.084 0.000 1.166 383 S CA -0.838 57.340 58.200 -0.037 0.000 0.815 383 S CB 0.522 63.711 63.200 -0.019 0.000 1.139 383 S HN -0.225 nan 8.310 nan 0.000 0.472 384 N N 0.742 119.380 118.700 -0.102 0.000 2.270 384 N HA 0.030 4.770 4.740 -0.000 0.000 0.181 384 N C 1.901 177.288 175.510 -0.205 0.000 1.016 384 N CA 1.346 54.242 53.050 -0.256 0.000 0.870 384 N CB -0.823 37.487 38.487 -0.295 0.000 0.979 384 N HN 0.758 nan 8.380 nan 0.000 0.431 385 A N 1.461 124.243 122.820 -0.064 0.000 1.902 385 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 385 A C 2.216 179.763 177.584 -0.062 0.000 1.181 385 A CA 1.701 53.725 52.037 -0.022 0.000 0.623 385 A CB -0.580 18.427 19.000 0.012 0.000 0.818 385 A HN 0.394 nan 8.150 nan 0.000 0.443 386 E N -0.006 120.149 120.200 -0.075 0.000 2.077 386 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 386 E C 2.051 178.570 176.600 -0.135 0.000 0.989 386 E CA 1.357 57.706 56.400 -0.084 0.000 0.800 386 E CB -0.362 29.297 29.700 -0.068 0.000 0.746 386 E HN 0.489 nan 8.360 nan 0.000 0.452 387 A N 1.104 123.811 122.820 -0.187 0.000 1.917 387 A HA -0.244 4.075 4.320 -0.000 0.000 0.219 387 A C 2.207 179.617 177.584 -0.290 0.000 1.182 387 A CA 1.825 53.686 52.037 -0.294 0.000 0.633 387 A CB -0.582 18.205 19.000 -0.355 0.000 0.819 387 A HN 0.234 nan 8.150 nan 0.000 0.448 388 R N -0.890 119.480 120.500 -0.217 0.000 2.081 388 R HA -0.087 4.253 4.340 -0.000 0.000 0.235 388 R C 2.500 178.742 176.300 -0.096 0.000 1.131 388 R CA 1.515 57.538 56.100 -0.127 0.000 0.960 388 R CB -0.305 29.984 30.300 -0.018 0.000 0.856 388 R HN 0.522 nan 8.270 nan 0.000 0.436 389 R N 0.586 121.034 120.500 -0.086 0.000 2.081 389 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 389 R C 2.397 178.642 176.300 -0.091 0.000 1.131 389 R CA 1.191 57.250 56.100 -0.068 0.000 0.960 389 R CB -0.455 29.812 30.300 -0.055 0.000 0.856 389 R HN 0.205 nan 8.270 nan 0.000 0.436 390 L N 0.570 121.715 121.223 -0.129 0.000 2.042 390 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 390 L C 2.437 179.212 176.870 -0.158 0.000 1.076 390 L CA 1.315 56.065 54.840 -0.149 0.000 0.749 390 L CB -0.421 41.519 42.059 -0.199 0.000 0.893 390 L HN 0.195 nan 8.230 nan 0.000 0.432 391 I N -0.595 119.861 120.570 -0.190 0.000 2.226 391 I HA -0.323 3.847 4.170 -0.000 0.000 0.245 391 I C 2.541 178.601 176.117 -0.095 0.000 1.100 391 I CA 1.348 62.549 61.300 -0.165 0.000 1.374 391 I CB -0.292 37.606 38.000 -0.170 0.000 1.057 391 I HN 0.366 nan 8.210 nan 0.000 0.413 392 Q N 0.406 120.162 119.800 -0.074 0.000 2.224 392 Q HA -0.152 4.188 4.340 -0.000 0.000 0.203 392 Q C 1.096 177.070 176.000 -0.045 0.000 0.970 392 Q CA 1.099 56.874 55.803 -0.046 0.000 0.865 392 Q CB -0.063 28.655 28.738 -0.033 0.000 0.922 392 Q HN 0.457 nan 8.270 nan 0.000 0.445 393 N N 0.089 118.756 118.700 -0.057 0.000 2.268 393 N HA 0.048 4.788 4.740 -0.000 0.000 0.204 393 N C -0.733 174.746 175.510 -0.052 0.000 1.124 393 N CA 0.088 53.108 53.050 -0.049 0.000 0.838 393 N CB 0.684 39.142 38.487 -0.050 0.000 0.994 393 N HN 0.025 nan 8.380 nan 0.000 0.489 394 R N -0.930 119.534 120.500 -0.060 0.000 3.525 394 R HA -0.140 4.200 4.340 -0.000 0.000 0.276 394 R C 0.969 177.228 176.300 -0.068 0.000 1.116 394 R CA 0.765 56.831 56.100 -0.058 0.000 0.745 394 R CB -2.723 27.555 30.300 -0.038 0.000 1.185 394 R HN 0.384 nan 8.270 nan 0.000 0.454 395 G N -0.614 108.130 108.800 -0.093 0.000 2.939 395 G HA2 0.296 4.256 3.960 -0.000 0.000 0.210 395 G HA3 0.296 4.256 3.960 -0.000 0.000 0.210 395 G C 0.548 175.376 174.900 -0.120 0.000 1.160 395 G CA -0.121 44.920 45.100 -0.097 0.000 0.770 395 G HN 0.162 nan 8.290 nan 0.000 0.543 396 L N 0.123 121.253 121.223 -0.155 0.000 2.342 396 L HA 0.656 4.996 4.340 -0.000 0.000 0.271 396 L C -0.126 176.710 176.870 -0.056 0.000 1.008 396 L CA -0.994 53.746 54.840 -0.168 0.000 0.818 396 L CB 2.290 44.049 42.059 -0.500 0.000 1.296 396 L HN -0.068 nan 8.230 nan 0.000 0.427 397 R N 1.692 122.227 120.500 0.057 0.000 2.807 397 R HA 0.711 5.051 4.340 -0.000 0.000 0.276 397 R C -1.669 174.737 176.300 0.178 0.000 0.979 397 R CA -1.003 55.145 56.100 0.079 0.000 0.928 397 R CB 2.742 33.058 30.300 0.026 0.000 1.191 397 R HN 0.266 nan 8.270 nan 0.000 0.471 398 L N 2.391 123.691 121.223 0.128 0.000 2.404 398 L HA 0.329 4.669 4.340 -0.000 0.000 0.272 398 L C -0.894 176.019 176.870 0.071 0.000 0.980 398 L CA 0.006 54.914 54.840 0.113 0.000 0.836 398 L CB 1.411 43.546 42.059 0.127 0.000 1.238 398 L HN 0.652 nan 8.230 nan 0.000 0.408 399 D N 4.623 125.059 120.400 0.059 0.000 2.708 399 D HA -0.212 4.428 4.640 -0.000 0.000 0.236 399 D C 1.124 177.462 176.300 0.064 0.000 1.146 399 D CA 1.537 55.571 54.000 0.056 0.000 0.662 399 D CB -0.908 39.916 40.800 0.040 0.000 1.059 399 D HN 1.276 nan 8.370 nan 0.000 0.428 400 G N -0.953 107.896 108.800 0.082 0.000 2.205 400 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.261 400 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.261 400 G C 0.063 174.996 174.900 0.055 0.000 0.980 400 G CA 0.466 45.613 45.100 0.078 0.000 0.632 400 G HN 0.394 nan 8.290 nan 0.000 0.533 401 E N 0.285 120.515 120.200 0.050 0.000 2.231 401 E HA 0.525 4.875 4.350 -0.000 0.000 0.277 401 E C 0.377 176.996 176.600 0.033 0.000 0.999 401 E CA -0.709 55.714 56.400 0.038 0.000 0.827 401 E CB 2.119 31.841 29.700 0.036 0.000 1.101 401 E HN 0.151 nan 8.360 nan 0.000 0.393 402 V N 3.838 123.763 119.914 0.018 0.000 2.521 402 V HA 0.042 4.162 4.120 -0.000 0.000 0.286 402 V C 0.706 176.800 176.094 0.001 0.000 1.034 402 V CA -0.169 62.133 62.300 0.003 0.000 1.045 402 V CB 0.049 31.868 31.823 -0.005 0.000 0.974 402 V HN 0.450 nan 8.190 nan 0.000 0.480 403 L N 5.280 126.495 121.223 -0.013 0.000 2.367 403 L HA 0.273 4.613 4.340 -0.000 0.000 0.275 403 L C 1.292 178.143 176.870 -0.031 0.000 1.129 403 L CA 0.217 55.046 54.840 -0.019 0.000 0.839 403 L CB 1.228 43.256 42.059 -0.051 0.000 1.133 403 L HN 0.912 nan 8.230 nan 0.000 0.453 404 T N -3.291 111.256 114.554 -0.012 0.000 3.043 404 T HA 0.118 4.467 4.350 -0.000 0.000 0.272 404 T C -0.038 174.663 174.700 0.000 0.000 0.990 404 T CA -0.402 61.692 62.100 -0.010 0.000 0.897 404 T CB 0.113 68.980 68.868 -0.002 0.000 1.111 404 T HN 0.442 nan 8.240 nan 0.000 0.529 405 D N 2.360 122.767 120.400 0.011 0.000 2.471 405 D HA 0.393 5.033 4.640 -0.000 0.000 0.245 405 D C -1.575 174.758 176.300 0.054 0.000 1.116 405 D CA -2.421 51.600 54.000 0.034 0.000 0.853 405 D CB 2.343 43.171 40.800 0.045 0.000 1.123 405 D HN -0.093 nan 8.370 nan 0.000 0.540 406 P HA -0.080 nan 4.420 nan 0.000 0.223 406 P C 1.026 178.521 177.300 0.325 0.000 1.151 406 P CA 0.596 63.767 63.100 0.118 0.000 0.787 406 P CB 0.268 32.028 31.700 0.101 0.000 0.788 407 M N -1.142 118.613 119.600 0.257 0.000 2.495 407 M HA 0.127 4.607 4.480 -0.000 0.000 0.237 407 M C 0.793 177.243 176.300 0.251 0.000 1.131 407 M CA -0.876 54.584 55.300 0.268 0.000 1.032 407 M CB -0.963 31.679 32.600 0.071 0.000 1.513 407 M HN -0.054 nan 8.290 nan 0.000 0.488 408 L N 2.641 123.998 121.223 0.222 0.000 2.653 408 L HA -0.128 4.212 4.340 -0.000 0.000 0.288 408 L C 0.293 177.299 176.870 0.226 0.000 1.243 408 L CA 1.111 56.054 54.840 0.172 0.000 0.906 408 L CB 0.241 42.376 42.059 0.126 0.000 1.154 408 L HN 0.208 nan 8.230 nan 0.000 0.498 409 Q N 4.324 124.214 119.800 0.149 0.000 2.290 409 Q HA 0.479 4.819 4.340 -0.000 0.000 0.259 409 Q C -1.081 174.985 176.000 0.109 0.000 0.941 409 Q CA -0.563 55.324 55.803 0.140 0.000 0.912 409 Q CB 2.037 30.826 28.738 0.084 0.000 1.244 409 Q HN 0.545 nan 8.270 nan 0.000 0.441 410 V N 2.538 122.519 119.914 0.112 0.000 2.628 410 V HA 0.294 4.414 4.120 -0.000 0.000 0.306 410 V C -0.378 175.752 176.094 0.060 0.000 1.045 410 V CA -0.869 61.479 62.300 0.080 0.000 0.905 410 V CB 2.157 34.029 31.823 0.081 0.000 0.997 410 V HN 0.799 nan 8.190 nan 0.000 0.436 411 D N 2.867 123.293 120.400 0.043 0.000 2.299 411 D HA 0.489 5.129 4.640 -0.000 0.000 0.243 411 D C -0.283 176.030 176.300 0.022 0.000 0.982 411 D CA -0.679 53.340 54.000 0.032 0.000 0.924 411 D CB 1.667 42.483 40.800 0.027 0.000 1.238 411 D HN 0.338 nan 8.370 nan 0.000 0.484 412 L N 1.658 122.891 121.223 0.016 0.000 3.084 412 L HA 0.155 4.494 4.340 -0.000 0.000 0.238 412 L C 1.378 178.252 176.870 0.007 0.000 1.327 412 L CA -0.312 54.532 54.840 0.007 0.000 1.094 412 L CB -0.076 41.984 42.059 0.003 0.000 1.477 412 L HN 0.560 nan 8.230 nan 0.000 0.514 413 S N 0.243 115.949 115.700 0.010 0.000 2.440 413 S HA -0.128 4.341 4.470 -0.000 0.000 0.238 413 S C 0.888 175.491 174.600 0.006 0.000 1.010 413 S CA 0.405 58.610 58.200 0.008 0.000 0.972 413 S CB -0.188 63.019 63.200 0.010 0.000 0.774 413 S HN 0.717 nan 8.310 nan 0.000 0.501 414 R N -1.027 119.475 120.500 0.004 0.000 2.716 414 R HA 0.559 4.899 4.340 -0.000 0.000 0.271 414 R C -3.767 172.531 176.300 -0.003 0.000 1.028 414 R CA -2.216 53.885 56.100 0.001 0.000 0.883 414 R CB -0.230 30.072 30.300 0.003 0.000 1.250 414 R HN -0.106 nan 8.270 nan 0.000 0.465 415 P HA 0.067 nan 4.420 nan 0.000 0.265 415 P C -0.920 176.373 177.300 -0.011 0.000 1.193 415 P CA -0.104 62.989 63.100 -0.011 0.000 0.765 415 P CB 0.484 32.177 31.700 -0.011 0.000 0.823 416 R N 3.037 123.524 120.500 -0.022 0.000 2.664 416 R HA 0.522 4.861 4.340 -0.000 0.000 0.286 416 R C -0.283 175.996 176.300 -0.035 0.000 0.967 416 R CA -0.881 55.205 56.100 -0.024 0.000 0.933 416 R CB 1.264 31.543 30.300 -0.035 0.000 1.146 416 R HN 0.401 nan 8.270 nan 0.000 0.468 417 I N 4.479 125.041 120.570 -0.014 0.000 2.330 417 I HA 0.293 4.463 4.170 -0.000 0.000 0.286 417 I C 0.298 176.396 176.117 -0.032 0.000 1.025 417 I CA -0.523 60.782 61.300 0.009 0.000 1.197 417 I CB 0.622 38.669 38.000 0.078 0.000 1.358 417 I HN 0.299 nan 8.210 nan 0.000 0.467 418 L N 6.185 127.323 121.223 -0.142 0.000 2.326 418 L HA 0.473 4.813 4.340 -0.000 0.000 0.278 418 L C 0.135 176.897 176.870 -0.179 0.000 1.092 418 L CA -0.320 54.323 54.840 -0.329 0.000 0.810 418 L CB 1.149 42.742 42.059 -0.776 0.000 1.153 418 L HN 0.589 nan 8.230 nan 0.000 0.439 419 Q N 3.815 123.568 119.800 -0.078 0.000 2.315 419 Q HA 0.478 4.818 4.340 -0.000 0.000 0.273 419 Q C -1.393 174.571 176.000 -0.060 0.000 1.053 419 Q CA -0.898 54.753 55.803 -0.253 0.000 0.817 419 Q CB 2.634 31.103 28.738 -0.449 0.000 1.326 419 Q HN 0.605 nan 8.270 nan 0.000 0.423 420 R N 2.684 123.080 120.500 -0.173 0.000 2.476 420 R HA 0.616 4.956 4.340 -0.000 0.000 0.305 420 R C -0.038 176.167 176.300 -0.159 0.000 0.965 420 R CA 0.619 56.666 56.100 -0.088 0.000 0.867 420 R CB 1.224 31.518 30.300 -0.010 0.000 1.176 420 R HN 0.952 nan 8.270 nan 0.000 0.447 421 G N 3.362 112.087 108.800 -0.125 0.000 2.601 421 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.252 421 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.252 421 G C 0.029 174.853 174.900 -0.127 0.000 1.294 421 G CA -0.042 44.999 45.100 -0.098 0.000 0.912 421 G HN 0.561 nan 8.290 nan 0.000 0.574 422 K N 1.004 121.371 120.400 -0.055 0.000 2.352 422 K HA 0.126 4.446 4.320 -0.000 0.000 0.194 422 K C 1.345 178.020 176.600 0.126 0.000 1.038 422 K CA 1.450 57.747 56.287 0.017 0.000 1.023 422 K CB 0.361 32.892 32.500 0.051 0.000 0.840 422 K HN 0.743 nan 8.250 nan 0.000 0.519 423 D N -0.529 119.913 120.400 0.071 0.000 2.563 423 D HA 0.034 4.674 4.640 -0.000 0.000 0.237 423 D C -0.209 176.193 176.300 0.170 0.000 1.282 423 D CA -0.322 53.805 54.000 0.212 0.000 0.816 423 D CB 0.199 41.074 40.800 0.124 0.000 1.066 423 D HN -0.149 nan 8.370 nan 0.000 0.501 424 R N 0.470 120.917 120.500 -0.090 0.000 2.358 424 R HA 0.449 4.788 4.340 -0.000 0.000 0.309 424 R C -1.257 174.875 176.300 -0.280 0.000 1.026 424 R CA -0.487 55.569 56.100 -0.073 0.000 0.909 424 R CB 0.765 31.019 30.300 -0.077 0.000 1.153 424 R HN -0.111 nan 8.270 nan 0.000 0.515 425 F N 1.162 121.106 119.950 -0.009 0.000 2.561 425 F HA 0.668 5.195 4.527 -0.000 0.000 0.321 425 F C -0.037 175.735 175.800 -0.048 0.000 1.065 425 F CA -1.142 56.843 58.000 -0.026 0.000 0.934 425 F CB 1.983 40.968 39.000 -0.024 0.000 1.215 425 F HN -0.038 nan 8.300 nan 0.000 0.471 426 V N 1.937 121.905 119.914 0.090 0.000 2.891 426 V HA 0.445 4.565 4.120 -0.000 0.000 0.304 426 V C -0.891 175.187 176.094 -0.027 0.000 1.171 426 V CA -1.058 61.242 62.300 0.002 0.000 0.943 426 V CB 2.333 34.110 31.823 -0.077 0.000 1.037 426 V HN 0.732 nan 8.190 nan 0.000 0.427 427 R N 3.293 123.780 120.500 -0.021 0.000 2.255 427 R HA 0.759 5.099 4.340 -0.000 0.000 0.326 427 R C -0.937 175.334 176.300 -0.049 0.000 0.986 427 R CA -0.333 55.749 56.100 -0.030 0.000 0.847 427 R CB 1.557 31.848 30.300 -0.015 0.000 1.111 427 R HN 0.699 nan 8.270 nan 0.000 0.452 428 V N 2.507 122.382 119.914 -0.065 0.000 2.581 428 V HA 0.792 4.911 4.120 -0.000 0.000 0.303 428 V C -0.600 175.470 176.094 -0.041 0.000 1.041 428 V CA -0.895 61.367 62.300 -0.063 0.000 0.907 428 V CB 1.500 33.266 31.823 -0.095 0.000 0.994 428 V HN 1.020 nan 8.190 nan 0.000 0.442 429 R N 3.370 123.852 120.500 -0.029 0.000 2.728 429 R HA 0.688 5.028 4.340 -0.000 0.000 0.274 429 R C -1.591 174.701 176.300 -0.013 0.000 1.030 429 R CA -1.111 54.978 56.100 -0.018 0.000 0.876 429 R CB 1.406 31.697 30.300 -0.015 0.000 1.259 429 R HN 0.633 nan 8.270 nan 0.000 0.468 430 L N 1.307 122.525 121.223 -0.007 0.000 2.479 430 L HA 0.192 4.531 4.340 -0.000 0.000 0.249 430 L C 1.713 178.581 176.870 -0.004 0.000 1.178 430 L CA 0.041 54.879 54.840 -0.004 0.000 0.811 430 L CB 1.191 43.250 42.059 0.000 0.000 1.187 430 L HN 1.086 nan 8.230 nan 0.000 0.480 431 S N 0.059 115.757 115.700 -0.002 0.000 2.433 431 S HA -0.325 4.145 4.470 -0.000 0.000 0.276 431 S C 0.485 175.084 174.600 -0.003 0.000 1.122 431 S CA 1.753 59.952 58.200 -0.002 0.000 1.277 431 S CB -0.456 62.744 63.200 -0.000 0.000 1.198 431 S HN 0.980 nan 8.310 nan 0.000 0.440 432 D N 0.000 120.399 120.400 -0.002 0.000 6.856 432 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 432 D CA 0.000 53.999 54.000 -0.002 0.000 0.868 432 D CB 0.000 40.798 40.800 -0.003 0.000 0.688 432 D HN 0.000 nan 8.370 nan 0.000 0.683