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 2hzk_1_C DATA FIRST_RESID 31 DATA SEQUENCE KVTWRLASSF PKSLDTIFGG AEVLSKXLSE ATDGNFQIQV FSAGELVPGL DATA SEQUENCE QAADAVTEGT VECCHTVGYY YWGKDPTFAL AAAVPFSLSA RGINAWHYHG DATA SEQUENCE GGIDLYNEFL SQHNIVAFPG GNTGVQXGGW FRREINTVAD XQGLKXRVGG DATA SEQUENCE FAGKVXERLG VVPQQIAGGD IYPALEKGTI DATEWVGPYD DEKLGFFKVA DATA SEQUENCE PYYYYPGWWE GGPTVHFXFN KSAYEGLTPT YQSLLRTACH AADANXLQLY DATA SEQUENCE DWKNPTAIKS LVAQGTQLRP FSPEILQACF EAANEVYAEX EASNPAFKKI DATA SEQUENCE WDSIKAFRSE HYTWAQIAEY NYDTFXXVQQ NAGKL 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 31 K HA 0.000 nan 4.320 nan 0.000 0.191 31 K C 0.000 176.550 176.600 -0.084 0.000 0.988 31 K CA 0.000 56.259 56.287 -0.047 0.000 0.838 31 K CB 0.000 32.445 32.500 -0.092 0.000 1.064 32 V N 3.214 123.048 119.914 -0.134 0.000 2.357 32 V HA 0.460 4.580 4.120 -0.000 0.000 0.284 32 V C -0.557 175.457 176.094 -0.132 0.000 1.018 32 V CA -0.051 62.072 62.300 -0.295 0.000 0.841 32 V CB 1.225 32.541 31.823 -0.845 0.000 0.991 32 V HN 0.374 nan 8.190 nan 0.000 0.437 33 T N 1.094 115.669 114.554 0.036 0.000 2.934 33 T HA 0.537 4.887 4.350 -0.000 0.000 0.328 33 T C -1.089 173.870 174.700 0.432 0.000 1.068 33 T CA -0.508 61.703 62.100 0.185 0.000 1.018 33 T CB 0.394 69.359 68.868 0.161 0.000 1.009 33 T HN 0.416 nan 8.240 nan 0.000 0.471 34 W N 2.077 123.497 121.300 0.199 0.000 2.647 34 W HA 0.637 5.297 4.660 -0.000 0.000 0.353 34 W C 0.291 176.959 176.519 0.249 0.000 1.080 34 W CA -1.639 55.841 57.345 0.225 0.000 1.208 34 W CB 1.493 31.129 29.460 0.293 0.000 1.396 34 W HN 0.527 nan 8.180 nan 0.000 0.573 35 R N 2.042 122.806 120.500 0.441 0.000 2.514 35 R HA 0.639 4.979 4.340 -0.000 0.000 0.301 35 R C -1.100 175.419 176.300 0.366 0.000 0.962 35 R CA -1.209 55.151 56.100 0.433 0.000 0.882 35 R CB 2.148 32.623 30.300 0.291 0.000 1.143 35 R HN 0.454 nan 8.270 nan 0.000 0.452 36 L N 1.958 123.446 121.223 0.440 0.000 2.305 36 L HA 0.578 4.917 4.340 -0.000 0.000 0.284 36 L C -0.751 176.352 176.870 0.389 0.000 1.013 36 L CA -0.469 54.583 54.840 0.352 0.000 0.819 36 L CB 1.513 43.773 42.059 0.334 0.000 1.227 36 L HN 0.772 nan 8.230 nan 0.000 0.417 37 A N 3.866 126.842 122.820 0.259 0.000 2.260 37 A HA 0.490 4.810 4.320 -0.000 0.000 0.312 37 A C -0.030 177.697 177.584 0.238 0.000 1.321 37 A CA -0.277 51.899 52.037 0.231 0.000 0.928 37 A CB 0.817 19.880 19.000 0.105 0.000 1.158 37 A HN 0.685 nan 8.150 nan 0.000 0.542 38 S N 1.924 117.815 115.700 0.319 0.000 2.584 38 S HA 0.260 4.729 4.470 -0.000 0.000 0.273 38 S C 1.176 175.825 174.600 0.082 0.000 1.311 38 S CA -0.248 58.140 58.200 0.313 0.000 1.034 38 S CB 0.811 64.381 63.200 0.617 0.000 0.939 38 S HN 0.656 nan 8.310 nan 0.000 0.513 39 S N 2.922 118.467 115.700 -0.258 0.000 2.607 39 S HA 0.224 4.693 4.470 -0.000 0.000 0.224 39 S C -0.495 173.797 174.600 -0.514 0.000 0.969 39 S CA 0.296 58.205 58.200 -0.485 0.000 0.927 39 S CB -0.340 62.479 63.200 -0.635 0.000 0.772 39 S HN 0.610 nan 8.310 nan 0.000 0.533 40 F N 1.858 121.966 119.950 0.265 0.000 2.522 40 F HA 0.510 5.037 4.527 -0.000 0.000 0.324 40 F C -2.378 173.517 175.800 0.158 0.000 1.077 40 F CA -3.136 55.012 58.000 0.246 0.000 0.944 40 F CB 0.807 40.005 39.000 0.329 0.000 1.175 40 F HN -0.192 nan 8.300 nan 0.000 0.468 41 P HA 0.189 nan 4.420 nan 0.000 0.276 41 P C -0.095 177.138 177.300 -0.113 0.000 1.244 41 P CA -0.441 62.683 63.100 0.040 0.000 0.801 41 P CB 1.330 33.088 31.700 0.096 0.000 1.006 42 K N 0.465 120.642 120.400 -0.371 0.000 2.209 42 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 42 K C 2.012 178.601 176.600 -0.019 0.000 1.048 42 K CA 1.909 57.947 56.287 -0.415 0.000 0.940 42 K CB -0.428 31.856 32.500 -0.360 0.000 0.729 42 K HN 0.532 nan 8.250 nan 0.000 0.451 43 S N 0.691 116.412 115.700 0.036 0.000 2.442 43 S HA -0.111 4.359 4.470 -0.000 0.000 0.236 43 S C 1.039 175.748 174.600 0.182 0.000 1.007 43 S CA 0.591 58.853 58.200 0.104 0.000 0.965 43 S CB -0.074 63.188 63.200 0.103 0.000 0.773 43 S HN 0.088 nan 8.310 nan 0.000 0.504 44 L N 3.939 125.298 121.223 0.227 0.000 2.536 44 L HA 0.275 4.615 4.340 -0.000 0.000 0.242 44 L C 1.115 178.165 176.870 0.300 0.000 1.280 44 L CA -0.458 54.547 54.840 0.275 0.000 1.221 44 L CB 0.079 42.297 42.059 0.266 0.000 1.449 44 L HN 0.301 nan 8.230 nan 0.000 0.405 45 D N -1.604 118.973 120.400 0.295 0.000 2.178 45 D HA -0.166 4.473 4.640 -0.000 0.000 0.202 45 D C 1.030 177.481 176.300 0.252 0.000 0.974 45 D CA 1.268 55.454 54.000 0.311 0.000 0.841 45 D CB 0.177 41.136 40.800 0.265 0.000 0.953 45 D HN 0.368 nan 8.370 nan 0.000 0.478 46 T N 0.927 115.592 114.554 0.185 0.000 2.942 46 T HA 0.091 4.440 4.350 -0.000 0.000 0.265 46 T C 2.231 176.955 174.700 0.041 0.000 1.062 46 T CA 0.300 62.389 62.100 -0.017 0.000 1.139 46 T CB 0.101 68.711 68.868 -0.429 0.000 0.883 46 T HN 0.169 nan 8.240 nan 0.000 0.468 47 I N 0.346 120.977 120.570 0.101 0.000 2.235 47 I HA -0.019 4.151 4.170 -0.000 0.000 0.241 47 I C 2.121 178.253 176.117 0.026 0.000 1.085 47 I CA 0.996 62.265 61.300 -0.051 0.000 1.378 47 I CB -0.384 37.386 38.000 -0.383 0.000 1.076 47 I HN 0.121 nan 8.210 nan 0.000 0.415 48 F N 2.320 122.298 119.950 0.047 0.000 2.091 48 F HA -0.197 4.330 4.527 -0.000 0.000 0.299 48 F C 2.285 178.227 175.800 0.236 0.000 1.103 48 F CA 1.695 59.858 58.000 0.271 0.000 1.228 48 F CB -0.972 38.189 39.000 0.268 0.000 0.984 48 F HN 0.024 nan 8.300 nan 0.000 0.477 49 G N -0.393 108.405 108.800 -0.004 0.000 2.485 49 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.221 49 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.221 49 G C 1.926 176.749 174.900 -0.127 0.000 1.115 49 G CA 0.749 45.784 45.100 -0.108 0.000 0.751 49 G HN 0.694 nan 8.290 nan 0.000 0.567 50 G N 1.074 109.846 108.800 -0.047 0.000 2.442 50 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.219 50 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.219 50 G C 2.005 176.855 174.900 -0.083 0.000 1.141 50 G CA 1.472 46.551 45.100 -0.035 0.000 0.763 50 G HN 0.644 nan 8.290 nan 0.000 0.554 51 A N 0.934 123.603 122.820 -0.252 0.000 1.898 51 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 51 A C 2.167 179.674 177.584 -0.128 0.000 1.181 51 A CA 1.855 53.843 52.037 -0.081 0.000 0.620 51 A CB -0.352 18.610 19.000 -0.064 0.000 0.819 51 A HN 0.473 nan 8.150 nan 0.000 0.442 52 E N -0.251 119.810 120.200 -0.231 0.000 2.110 52 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 52 E C 1.954 178.493 176.600 -0.102 0.000 0.988 52 E CA 1.258 57.564 56.400 -0.156 0.000 0.804 52 E CB -0.331 29.280 29.700 -0.149 0.000 0.745 52 E HN 0.402 nan 8.360 nan 0.000 0.458 53 V N 1.521 121.384 119.914 -0.085 0.000 2.261 53 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 53 V C 2.337 178.376 176.094 -0.092 0.000 1.047 53 V CA 1.618 63.880 62.300 -0.063 0.000 1.015 53 V CB -0.452 31.355 31.823 -0.026 0.000 0.642 53 V HN 0.219 nan 8.190 nan 0.000 0.446 54 L N 0.156 121.312 121.223 -0.111 0.000 2.012 54 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 54 L C 2.653 179.372 176.870 -0.250 0.000 1.073 54 L CA 2.490 57.188 54.840 -0.236 0.000 0.748 54 L CB -0.792 40.961 42.059 -0.510 0.000 0.891 54 L HN 0.337 nan 8.230 nan 0.000 0.431 55 S N -0.674 114.912 115.700 -0.189 0.000 2.359 55 S HA -0.226 4.244 4.470 -0.000 0.000 0.224 55 S C 1.429 175.936 174.600 -0.155 0.000 1.035 55 S CA 1.142 59.246 58.200 -0.160 0.000 1.018 55 S CB -0.310 62.839 63.200 -0.086 0.000 0.876 55 S HN 0.515 nan 8.310 nan 0.000 0.448 59 S N 0.611 116.193 115.700 -0.197 0.000 2.348 59 S HA -0.163 4.307 4.470 -0.000 0.000 0.221 59 S C 1.536 176.086 174.600 -0.082 0.000 1.033 59 S CA 2.165 60.303 58.200 -0.104 0.000 1.010 59 S CB -0.015 63.141 63.200 -0.074 0.000 0.891 59 S HN 0.403 nan 8.310 nan 0.000 0.442 60 E N 0.647 120.793 120.200 -0.089 0.000 2.110 60 E HA -0.096 4.253 4.350 -0.000 0.000 0.193 60 E C 2.201 178.761 176.600 -0.067 0.000 0.988 60 E CA 1.048 57.407 56.400 -0.068 0.000 0.804 60 E CB -0.275 29.384 29.700 -0.068 0.000 0.745 60 E HN 0.631 nan 8.360 nan 0.000 0.458 61 A N 0.926 123.690 122.820 -0.093 0.000 2.168 61 A HA -0.073 4.246 4.320 -0.000 0.000 0.215 61 A C 1.969 179.521 177.584 -0.053 0.000 1.152 61 A CA 1.510 53.498 52.037 -0.081 0.000 0.716 61 A CB -0.214 18.717 19.000 -0.114 0.000 0.794 61 A HN 0.314 nan 8.150 nan 0.000 0.465 62 T N -5.530 108.995 114.554 -0.049 0.000 3.170 62 T HA 0.257 4.606 4.350 -0.000 0.000 0.288 62 T C 0.038 174.750 174.700 0.021 0.000 0.992 62 T CA 0.492 62.594 62.100 0.004 0.000 0.909 62 T CB 0.111 68.978 68.868 -0.002 0.000 1.133 62 T HN 0.185 nan 8.240 nan 0.000 0.530 63 D N 1.579 121.978 120.400 -0.002 0.000 2.708 63 D HA -0.166 4.473 4.640 -0.000 0.000 0.236 63 D C 1.346 177.652 176.300 0.010 0.000 1.146 63 D CA 1.894 55.895 54.000 0.002 0.000 0.662 63 D CB -1.589 39.217 40.800 0.009 0.000 1.059 63 D HN 1.114 nan 8.370 nan 0.000 0.428 64 G N -0.225 108.578 108.800 0.004 0.000 2.179 64 G HA2 -0.444 3.515 3.960 -0.000 0.000 0.260 64 G HA3 -0.444 3.515 3.960 -0.000 0.000 0.260 64 G C 0.980 175.904 174.900 0.040 0.000 0.977 64 G CA 0.824 45.933 45.100 0.015 0.000 0.641 64 G HN 0.555 nan 8.290 nan 0.000 0.533 65 N N -0.736 117.999 118.700 0.059 0.000 2.331 65 N HA 0.074 4.813 4.740 -0.000 0.000 0.180 65 N C 0.440 176.019 175.510 0.115 0.000 1.019 65 N CA 0.626 53.732 53.050 0.093 0.000 0.881 65 N CB -0.123 38.448 38.487 0.139 0.000 0.972 65 N HN 0.324 nan 8.380 nan 0.000 0.435 66 F N 2.030 121.895 119.950 -0.141 0.000 2.293 66 F HA 0.404 4.931 4.527 -0.001 0.000 0.370 66 F C -0.436 175.232 175.800 -0.220 0.000 1.090 66 F CA -1.063 56.759 58.000 -0.297 0.000 1.133 66 F CB 0.174 38.786 39.000 -0.647 0.000 1.360 66 F HN -0.019 nan 8.300 nan 0.000 0.489 67 Q N 7.036 126.962 119.800 0.210 0.000 2.348 67 Q HA 0.503 4.842 4.340 -0.000 0.000 0.265 67 Q C -1.445 174.669 176.000 0.190 0.000 0.998 67 Q CA -0.468 55.412 55.803 0.128 0.000 0.831 67 Q CB 1.144 29.940 28.738 0.098 0.000 1.251 67 Q HN 0.682 nan 8.270 nan 0.000 0.456 68 I N 3.997 124.652 120.570 0.142 0.000 2.354 68 I HA 0.217 4.387 4.170 -0.000 0.000 0.286 68 I C -0.212 176.004 176.117 0.165 0.000 1.007 68 I CA -0.563 60.878 61.300 0.234 0.000 1.167 68 I CB 1.748 39.874 38.000 0.210 0.000 1.320 68 I HN 0.575 nan 8.210 nan 0.000 0.458 69 Q N 5.625 125.557 119.800 0.219 0.000 2.294 69 Q HA 0.375 4.715 4.340 -0.000 0.000 0.257 69 Q C -1.161 174.880 176.000 0.067 0.000 0.955 69 Q CA -0.462 55.399 55.803 0.097 0.000 0.936 69 Q CB 1.499 30.323 28.738 0.145 0.000 1.188 69 Q HN 0.476 nan 8.270 nan 0.000 0.420 70 V N 5.614 125.472 119.914 -0.092 0.000 2.439 70 V HA 0.390 4.510 4.120 -0.000 0.000 0.282 70 V C -0.663 175.352 176.094 -0.132 0.000 1.039 70 V CA -0.312 62.003 62.300 0.025 0.000 0.913 70 V CB 0.640 32.483 31.823 0.032 0.000 0.983 70 V HN 0.604 nan 8.190 nan 0.000 0.460 71 F N 2.484 122.602 119.950 0.280 0.000 2.507 71 F HA 0.524 5.051 4.527 -0.000 0.000 0.325 71 F C 0.764 176.773 175.800 0.348 0.000 1.116 71 F CA -0.533 57.626 58.000 0.265 0.000 0.930 71 F CB 2.039 41.144 39.000 0.175 0.000 1.146 71 F HN 0.548 nan 8.300 nan 0.000 0.447 72 S N 1.882 117.831 115.700 0.415 0.000 2.614 72 S HA 0.674 5.143 4.470 -0.000 0.000 0.265 72 S C 0.180 174.893 174.600 0.189 0.000 1.303 72 S CA -0.805 57.527 58.200 0.221 0.000 1.000 72 S CB 1.072 64.118 63.200 -0.256 0.000 0.935 72 S HN 0.921 nan 8.310 nan 0.000 0.551 73 A N 0.580 123.479 122.820 0.131 0.000 2.566 73 A HA 0.470 4.790 4.320 -0.000 0.000 0.245 73 A C 1.568 179.188 177.584 0.060 0.000 1.056 73 A CA 0.255 52.341 52.037 0.081 0.000 0.757 73 A CB -1.603 17.423 19.000 0.044 0.000 0.979 73 A HN 2.414 nan 8.150 nan 0.000 0.508 74 G N 1.799 110.630 108.800 0.051 0.000 2.241 74 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.244 74 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.244 74 G C 0.800 175.729 174.900 0.049 0.000 0.998 74 G CA 0.744 45.865 45.100 0.035 0.000 0.621 74 G HN 0.740 nan 8.290 nan 0.000 0.519 75 E N -0.576 119.679 120.200 0.092 0.000 2.047 75 E HA 0.033 4.382 4.350 -0.000 0.000 0.191 75 E C 2.318 178.934 176.600 0.028 0.000 0.987 75 E CA 1.324 57.796 56.400 0.119 0.000 0.799 75 E CB -0.057 29.809 29.700 0.277 0.000 0.752 75 E HN 0.411 nan 8.360 nan 0.000 0.449 76 L N -0.674 120.532 121.223 -0.028 0.000 2.347 76 L HA 0.104 4.444 4.340 -0.000 0.000 0.196 76 L C 0.706 177.539 176.870 -0.062 0.000 1.072 76 L CA 0.575 55.336 54.840 -0.131 0.000 0.817 76 L CB 0.430 42.337 42.059 -0.254 0.000 1.029 76 L HN -0.026 nan 8.230 nan 0.000 0.478 77 V N -5.503 114.397 119.914 -0.024 0.000 3.147 77 V HA 0.637 4.757 4.120 -0.000 0.000 0.306 77 V C -2.763 173.330 176.094 -0.002 0.000 1.209 77 V CA -2.238 60.053 62.300 -0.015 0.000 1.023 77 V CB 1.207 33.020 31.823 -0.017 0.000 1.059 77 V HN -0.120 nan 8.190 nan 0.000 0.435 78 P HA 0.197 nan 4.420 nan 0.000 0.266 78 P C 1.129 178.411 177.300 -0.029 0.000 1.193 78 P CA 0.951 64.039 63.100 -0.019 0.000 0.770 78 P CB 0.765 32.448 31.700 -0.029 0.000 0.836 79 G N 2.036 110.804 108.800 -0.053 0.000 2.469 79 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.219 79 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.219 79 G C 1.162 175.983 174.900 -0.131 0.000 1.150 79 G CA 0.465 45.507 45.100 -0.096 0.000 0.763 79 G HN 0.464 nan 8.290 nan 0.000 0.561 80 L N -0.259 120.856 121.223 -0.180 0.000 2.551 80 L HA 0.063 4.403 4.340 -0.000 0.000 0.228 80 L C 2.480 179.351 176.870 0.003 0.000 1.153 80 L CA 0.497 55.206 54.840 -0.218 0.000 0.851 80 L CB 0.034 41.925 42.059 -0.279 0.000 0.959 80 L HN 0.301 nan 8.230 nan 0.000 0.451 81 Q N -1.131 118.690 119.800 0.035 0.000 2.219 81 Q HA 0.188 4.528 4.340 -0.000 0.000 0.209 81 Q C 2.091 178.133 176.000 0.071 0.000 0.854 81 Q CA 0.289 56.136 55.803 0.073 0.000 0.960 81 Q CB 0.601 29.349 28.738 0.017 0.000 1.116 81 Q HN 0.443 nan 8.270 nan 0.000 0.500 82 A N 1.182 124.061 122.820 0.098 0.000 1.883 82 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 82 A C 2.235 179.815 177.584 -0.006 0.000 1.186 82 A CA 1.871 53.943 52.037 0.058 0.000 0.624 82 A CB -0.621 18.421 19.000 0.071 0.000 0.822 82 A HN 0.410 nan 8.150 nan 0.000 0.444 83 A N -0.407 122.369 122.820 -0.074 0.000 1.933 83 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 83 A C 1.787 179.224 177.584 -0.246 0.000 1.175 83 A CA 1.829 53.663 52.037 -0.337 0.000 0.628 83 A CB -0.544 17.848 19.000 -1.013 0.000 0.814 83 A HN 0.464 nan 8.150 nan 0.000 0.444 84 D N 0.141 120.438 120.400 -0.171 0.000 2.117 84 D HA -0.067 4.573 4.640 -0.000 0.000 0.197 84 D C 2.246 178.508 176.300 -0.062 0.000 0.987 84 D CA 1.455 55.399 54.000 -0.094 0.000 0.829 84 D CB -0.381 40.394 40.800 -0.041 0.000 0.961 84 D HN 0.412 nan 8.370 nan 0.000 0.460 85 A N 0.530 123.320 122.820 -0.049 0.000 1.940 85 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 85 A C 2.531 180.083 177.584 -0.054 0.000 1.176 85 A CA 1.285 53.297 52.037 -0.043 0.000 0.631 85 A CB -0.662 18.319 19.000 -0.032 0.000 0.814 85 A HN 0.160 nan 8.150 nan 0.000 0.446 86 V N -0.658 119.216 119.914 -0.068 0.000 2.307 86 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 86 V C 2.720 178.773 176.094 -0.070 0.000 1.045 86 V CA 2.407 64.661 62.300 -0.077 0.000 1.024 86 V CB -1.268 30.499 31.823 -0.093 0.000 0.651 86 V HN 0.581 nan 8.190 nan 0.000 0.449 87 T N 0.898 115.410 114.554 -0.070 0.000 2.720 87 T HA -0.230 4.119 4.350 -0.000 0.000 0.268 87 T C 1.643 176.319 174.700 -0.040 0.000 1.037 87 T CA 1.923 63.994 62.100 -0.049 0.000 1.144 87 T CB -0.307 68.541 68.868 -0.034 0.000 0.864 87 T HN 0.868 nan 8.240 nan 0.000 0.444 88 E N 0.681 120.857 120.200 -0.040 0.000 2.502 88 E HA 0.264 4.614 4.350 -0.000 0.000 0.194 88 E C 1.433 178.013 176.600 -0.034 0.000 1.062 88 E CA 0.469 56.850 56.400 -0.033 0.000 0.867 88 E CB -0.219 29.464 29.700 -0.028 0.000 0.888 88 E HN 0.421 nan 8.360 nan 0.000 0.510 89 G N 1.473 110.247 108.800 -0.044 0.000 2.143 89 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.248 89 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.248 89 G C 0.970 175.843 174.900 -0.045 0.000 0.991 89 G CA 0.781 45.852 45.100 -0.048 0.000 0.689 89 G HN 0.479 nan 8.290 nan 0.000 0.522 90 T N -2.578 111.950 114.554 -0.044 0.000 2.821 90 T HA 0.279 4.628 4.350 -0.000 0.000 0.267 90 T C 1.298 175.969 174.700 -0.048 0.000 1.046 90 T CA 1.859 63.934 62.100 -0.042 0.000 1.139 90 T CB -0.194 68.649 68.868 -0.042 0.000 0.871 90 T HN 1.740 nan 8.240 nan 0.000 0.454 91 V N -0.783 119.098 119.914 -0.054 0.000 3.001 91 V HA 0.682 4.802 4.120 -0.000 0.000 0.314 91 V C 0.395 176.428 176.094 -0.101 0.000 1.099 91 V CA -1.100 61.170 62.300 -0.050 0.000 0.989 91 V CB 2.330 34.142 31.823 -0.019 0.000 1.040 91 V HN 0.080 nan 8.190 nan 0.000 0.434 92 E N 0.599 120.698 120.200 -0.168 0.000 2.442 92 E HA 0.177 4.527 4.350 -0.000 0.000 0.195 92 E C 0.645 177.083 176.600 -0.270 0.000 1.030 92 E CA 0.947 57.117 56.400 -0.384 0.000 0.869 92 E CB -0.626 28.480 29.700 -0.990 0.000 0.857 92 E HN 1.090 nan 8.360 nan 0.000 0.505 93 C N -0.751 118.495 119.300 -0.090 0.000 3.311 93 C HA 0.852 5.312 4.460 -0.000 0.000 0.325 93 C C -0.236 174.757 174.990 0.006 0.000 1.352 93 C CA -1.089 57.886 59.018 -0.072 0.000 1.308 93 C CB 1.357 29.088 27.740 -0.015 0.000 1.619 93 C HN 0.481 nan 8.230 nan 0.000 0.469 94 C N 0.024 119.310 119.300 -0.024 0.000 3.236 94 C HA 0.920 5.380 4.460 -0.000 0.000 0.312 94 C C -0.994 174.119 174.990 0.204 0.000 1.374 94 C CA -0.346 58.731 59.018 0.098 0.000 1.455 94 C CB 0.970 28.740 27.740 0.050 0.000 1.834 94 C HN 1.352 nan 8.230 nan 0.000 0.460 95 H N 0.205 119.347 119.070 0.119 0.000 2.727 95 H HA 0.783 5.338 4.556 -0.000 0.000 0.330 95 H C -0.354 175.028 175.328 0.090 0.000 0.986 95 H CA 0.750 56.840 56.048 0.069 0.000 1.251 95 H CB 1.454 31.300 29.762 0.140 0.000 1.493 95 H HN 1.147 nan 8.280 nan 0.000 0.515 96 T N 3.204 117.694 114.554 -0.106 0.000 2.711 96 T HA 0.480 4.830 4.350 -0.000 0.000 0.302 96 T C -1.492 173.146 174.700 -0.103 0.000 1.373 96 T CA -0.517 61.503 62.100 -0.134 0.000 1.000 96 T CB 0.771 69.682 68.868 0.073 0.000 1.483 96 T HN 0.275 nan 8.240 nan 0.000 0.499 97 V N 2.275 121.971 119.914 -0.363 0.000 2.417 97 V HA 0.528 4.648 4.120 -0.000 0.000 0.291 97 V C 1.694 177.518 176.094 -0.449 0.000 1.024 97 V CA -0.026 61.909 62.300 -0.609 0.000 0.861 97 V CB 1.137 32.153 31.823 -1.346 0.000 0.985 97 V HN 1.122 nan 8.190 nan 0.000 0.436 98 G N 3.294 112.053 108.800 -0.069 0.000 2.450 98 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 98 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 98 G C 1.065 176.153 174.900 0.313 0.000 1.130 98 G CA 1.603 46.890 45.100 0.311 0.000 0.760 98 G HN 1.002 nan 8.290 nan 0.000 0.557 99 Y N -1.013 119.381 120.300 0.157 0.000 2.574 99 Y HA 0.114 4.663 4.550 -0.000 0.000 0.294 99 Y C 2.012 178.029 175.900 0.195 0.000 1.142 99 Y CA -0.614 57.595 58.100 0.182 0.000 1.314 99 Y CB -0.778 37.706 38.460 0.040 0.000 0.991 99 Y HN 0.178 nan 8.280 nan 0.000 0.555 100 Y N -0.191 120.082 120.300 -0.044 0.000 2.384 100 Y HA -0.189 4.361 4.550 -0.000 0.000 0.289 100 Y C 0.737 176.348 175.900 -0.482 0.000 1.152 100 Y CA 0.569 58.468 58.100 -0.335 0.000 1.258 100 Y CB -1.034 36.941 38.460 -0.808 0.000 0.979 100 Y HN 0.291 nan 8.280 nan 0.000 0.549 101 Y N -1.681 118.763 120.300 0.240 0.000 2.658 101 Y HA 0.040 4.589 4.550 -0.000 0.000 0.276 101 Y C 1.637 177.649 175.900 0.186 0.000 1.167 101 Y CA -1.287 56.781 58.100 -0.053 0.000 1.230 101 Y CB -0.966 37.017 38.460 -0.795 0.000 1.144 101 Y HN 0.260 nan 8.280 nan 0.000 0.529 102 W N 0.064 121.524 121.300 0.266 0.000 2.425 102 W HA 0.040 4.700 4.660 -0.000 0.000 0.277 102 W C 1.315 177.971 176.519 0.229 0.000 1.231 102 W CA 1.162 58.722 57.345 0.358 0.000 1.248 102 W CB -1.130 28.589 29.460 0.433 0.000 1.117 102 W HN 0.216 nan 8.180 nan 0.000 0.568 103 G N 1.350 109.855 108.800 -0.491 0.000 2.509 103 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.218 103 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.218 103 G C 1.717 176.519 174.900 -0.165 0.000 1.124 103 G CA 1.019 45.803 45.100 -0.526 0.000 0.776 103 G HN 0.382 nan 8.290 nan 0.000 0.547 104 K N -0.792 119.623 120.400 0.026 0.000 2.067 104 K HA 0.011 4.331 4.320 -0.000 0.000 0.203 104 K C -0.324 176.448 176.600 0.287 0.000 1.048 104 K CA 0.882 57.254 56.287 0.142 0.000 0.954 104 K CB 0.321 32.894 32.500 0.122 0.000 0.737 104 K HN 0.176 nan 8.250 nan 0.000 0.444 105 D N -1.478 119.190 120.400 0.445 0.000 2.795 105 D HA 0.085 4.724 4.640 -0.000 0.000 0.206 105 D C -2.426 174.196 176.300 0.536 0.000 1.278 105 D CA -1.375 52.906 54.000 0.468 0.000 0.839 105 D CB 1.981 43.160 40.800 0.633 0.000 1.700 105 D HN -0.146 nan 8.370 nan 0.000 0.549 106 P HA -0.084 nan 4.420 nan 0.000 0.225 106 P C 1.176 178.914 177.300 0.730 0.000 1.148 106 P CA 0.802 64.323 63.100 0.701 0.000 0.779 106 P CB 0.236 32.265 31.700 0.547 0.000 0.780 107 T N -0.562 114.261 114.554 0.448 0.000 2.803 107 T HA -0.130 4.220 4.350 -0.000 0.000 0.269 107 T C 1.387 176.020 174.700 -0.112 0.000 1.052 107 T CA 1.087 63.162 62.100 -0.042 0.000 1.136 107 T CB -0.935 67.490 68.868 -0.738 0.000 0.864 107 T HN 0.008 nan 8.240 nan 0.000 0.467 108 F N 1.763 121.799 119.950 0.144 0.000 2.192 108 F HA -0.101 4.425 4.527 -0.000 0.000 0.301 108 F C 2.571 178.582 175.800 0.352 0.000 1.079 108 F CA 0.901 59.128 58.000 0.378 0.000 1.303 108 F CB -0.606 38.661 39.000 0.446 0.000 1.024 108 F HN 0.161 nan 8.300 nan 0.000 0.494 109 A N -0.352 122.762 122.820 0.490 0.000 2.015 109 A HA -0.076 4.243 4.320 -0.000 0.000 0.219 109 A C 2.204 179.808 177.584 0.034 0.000 1.163 109 A CA 1.026 53.243 52.037 0.300 0.000 0.646 109 A CB -0.884 18.255 19.000 0.233 0.000 0.806 109 A HN 0.399 nan 8.150 nan 0.000 0.448 110 L N -0.952 120.224 121.223 -0.079 0.000 2.046 110 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 110 L C 2.807 179.544 176.870 -0.221 0.000 1.077 110 L CA 1.149 55.839 54.840 -0.249 0.000 0.747 110 L CB -0.340 41.513 42.059 -0.344 0.000 0.896 110 L HN 0.411 nan 8.230 nan 0.000 0.432 111 A N -0.969 121.658 122.820 -0.323 0.000 2.238 111 A HA 0.293 4.613 4.320 -0.000 0.000 0.208 111 A C 2.040 179.654 177.584 0.049 0.000 1.177 111 A CA 0.996 52.892 52.037 -0.236 0.000 0.804 111 A CB -0.259 18.200 19.000 -0.902 0.000 0.823 111 A HN 0.378 nan 8.150 nan 0.000 0.482 112 A N -0.430 122.402 122.820 0.020 0.000 2.054 112 A HA 0.745 5.065 4.320 -0.000 0.000 0.221 112 A C 0.940 178.595 177.584 0.119 0.000 1.587 112 A CA 1.017 53.123 52.037 0.115 0.000 0.664 112 A CB -0.250 18.795 19.000 0.076 0.000 1.248 112 A HN 1.549 nan 8.150 nan 0.000 0.527 113 A N -1.241 121.679 122.820 0.166 0.000 2.565 113 A HA 0.558 4.878 4.320 -0.000 0.000 0.298 113 A C -0.826 176.714 177.584 -0.074 0.000 1.062 113 A CA 0.136 52.216 52.037 0.073 0.000 0.723 113 A CB 0.652 19.732 19.000 0.132 0.000 1.282 113 A HN 1.713 nan 8.150 nan 0.000 0.400 114 V N -1.320 118.486 119.914 -0.180 0.000 3.102 114 V HA 0.880 5.000 4.120 -0.000 0.000 0.312 114 V C -3.049 173.004 176.094 -0.069 0.000 1.135 114 V CA -2.890 59.211 62.300 -0.332 0.000 1.022 114 V CB 1.526 32.993 31.823 -0.594 0.000 1.056 114 V HN 0.611 nan 8.190 nan 0.000 0.436 115 P HA 0.273 nan 4.420 nan 0.000 0.262 115 P C -0.561 176.969 177.300 0.384 0.000 1.182 115 P CA 0.641 63.876 63.100 0.224 0.000 0.761 115 P CB -0.328 31.661 31.700 0.481 0.000 0.795 116 F N -0.542 119.649 119.950 0.401 0.000 3.080 116 F HA -0.233 4.294 4.527 -0.000 0.000 0.292 116 F C 1.105 177.138 175.800 0.389 0.000 0.891 116 F CA 0.826 59.062 58.000 0.395 0.000 1.086 116 F CB -2.379 36.919 39.000 0.496 0.000 1.095 116 F HN 0.226 nan 8.300 nan 0.000 0.633 117 S N -0.640 115.282 115.700 0.369 0.000 2.590 117 S HA 0.808 5.278 4.470 -0.000 0.000 0.282 117 S C 0.303 175.057 174.600 0.256 0.000 1.136 117 S CA -0.677 57.716 58.200 0.321 0.000 1.030 117 S CB 0.686 63.998 63.200 0.187 0.000 1.195 117 S HN 0.234 nan 8.310 nan 0.000 0.506 118 L N 2.095 123.400 121.223 0.136 0.000 2.417 118 L HA 0.319 4.659 4.340 -0.000 0.000 0.268 118 L C 0.820 177.749 176.870 0.098 0.000 1.158 118 L CA -0.495 54.409 54.840 0.105 0.000 0.819 118 L CB 1.207 43.209 42.059 -0.094 0.000 1.112 118 L HN 0.747 nan 8.230 nan 0.000 0.458 119 S N 1.376 117.163 115.700 0.145 0.000 2.633 119 S HA 0.316 4.785 4.470 -0.000 0.000 0.257 119 S C 1.191 175.821 174.600 0.049 0.000 1.265 119 S CA -0.202 58.067 58.200 0.114 0.000 0.980 119 S CB 0.892 64.203 63.200 0.185 0.000 1.017 119 S HN 0.690 nan 8.310 nan 0.000 0.577 120 A N 1.007 123.872 122.820 0.075 0.000 1.865 120 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 120 A C 2.366 180.012 177.584 0.103 0.000 1.191 120 A CA 1.662 53.754 52.037 0.090 0.000 0.623 120 A CB -0.927 18.135 19.000 0.104 0.000 0.826 120 A HN 0.841 nan 8.150 nan 0.000 0.444 121 R N -1.045 119.521 120.500 0.110 0.000 2.096 121 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 121 R C 2.386 178.733 176.300 0.079 0.000 1.127 121 R CA 1.107 57.291 56.100 0.139 0.000 0.968 121 R CB -0.597 29.816 30.300 0.187 0.000 0.861 121 R HN 0.560 nan 8.270 nan 0.000 0.440 122 G N 1.051 109.748 108.800 -0.172 0.000 2.404 122 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.215 122 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.215 122 G C 1.329 176.231 174.900 0.004 0.000 1.174 122 G CA 0.418 45.261 45.100 -0.428 0.000 0.780 122 G HN 0.187 nan 8.290 nan 0.000 0.537 123 I N 1.318 121.863 120.570 -0.042 0.000 2.315 123 I HA -0.088 4.082 4.170 -0.000 0.000 0.248 123 I C 2.173 178.246 176.117 -0.074 0.000 1.117 123 I CA 0.982 62.231 61.300 -0.086 0.000 1.404 123 I CB -0.192 37.719 38.000 -0.148 0.000 1.071 123 I HN 0.007 nan 8.210 nan 0.000 0.419 124 N N 0.955 119.733 118.700 0.131 0.000 2.188 124 N HA -0.090 4.649 4.740 -0.000 0.000 0.184 124 N C 1.926 177.651 175.510 0.358 0.000 1.018 124 N CA 1.436 54.698 53.050 0.353 0.000 0.858 124 N CB -0.570 38.171 38.487 0.423 0.000 0.989 124 N HN 0.473 nan 8.380 nan 0.000 0.426 125 A N 0.237 123.208 122.820 0.252 0.000 1.883 125 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 125 A C 2.207 179.795 177.584 0.006 0.000 1.186 125 A CA 1.545 53.686 52.037 0.173 0.000 0.624 125 A CB -1.249 17.846 19.000 0.159 0.000 0.822 125 A HN 0.537 nan 8.150 nan 0.000 0.444 126 W N 0.193 121.331 121.300 -0.271 0.000 2.355 126 W HA -0.197 4.463 4.660 -0.000 0.000 0.309 126 W C 2.191 178.606 176.519 -0.173 0.000 1.206 126 W CA 2.164 59.316 57.345 -0.322 0.000 1.284 126 W CB -0.633 28.677 29.460 -0.249 0.000 1.145 126 W HN 0.602 nan 8.180 nan 0.000 0.502 127 H N -2.256 116.757 119.070 -0.095 0.000 2.265 127 H HA -0.265 4.290 4.556 -0.000 0.000 0.295 127 H C 1.880 176.867 175.328 -0.570 0.000 1.084 127 H CA 2.400 58.175 56.048 -0.455 0.000 1.261 127 H CB -0.560 28.904 29.762 -0.497 0.000 1.360 127 H HN 0.162 nan 8.280 nan 0.000 0.487 128 Y N -1.734 118.487 120.300 -0.131 0.000 2.448 128 Y HA -0.004 4.546 4.550 -0.000 0.000 0.289 128 Y C 1.715 177.177 175.900 -0.730 0.000 1.114 128 Y CA 0.695 58.551 58.100 -0.406 0.000 1.235 128 Y CB 0.549 38.777 38.460 -0.388 0.000 1.045 128 Y HN 0.372 nan 8.280 nan 0.000 0.554 129 H N -2.938 116.136 119.070 0.007 0.000 3.398 129 H HA 0.343 4.899 4.556 -0.000 0.000 0.260 129 H C 1.642 176.868 175.328 -0.171 0.000 1.189 129 H CA 0.672 56.687 56.048 -0.055 0.000 1.145 129 H CB 0.675 30.429 29.762 -0.013 0.000 1.599 129 H HN 0.265 nan 8.280 nan 0.000 0.615 130 G N -0.045 108.608 108.800 -0.244 0.000 3.233 130 G HA2 0.308 4.267 3.960 -0.000 0.000 0.234 130 G HA3 0.308 4.267 3.960 -0.000 0.000 0.234 130 G C 1.211 175.844 174.900 -0.445 0.000 1.137 130 G CA 0.242 45.134 45.100 -0.346 0.000 0.763 130 G HN 0.450 nan 8.290 nan 0.000 0.549 131 G N -0.644 107.907 108.800 -0.416 0.000 2.159 131 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.256 131 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.256 131 G C 1.337 175.885 174.900 -0.587 0.000 0.977 131 G CA 0.626 45.505 45.100 -0.369 0.000 0.652 131 G HN 0.982 nan 8.290 nan 0.000 0.531 132 G N 0.497 108.629 108.800 -1.113 0.000 2.418 132 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.217 132 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.217 132 G C 1.782 176.308 174.900 -0.623 0.000 1.158 132 G CA 1.293 45.377 45.100 -1.694 0.000 0.771 132 G HN 0.616 nan 8.290 nan 0.000 0.545 133 I N 1.003 121.341 120.570 -0.387 0.000 2.163 133 I HA -0.165 4.005 4.170 -0.000 0.000 0.243 133 I C 2.333 178.396 176.117 -0.090 0.000 1.085 133 I CA 1.322 62.527 61.300 -0.158 0.000 1.347 133 I CB -0.196 37.717 38.000 -0.145 0.000 1.044 133 I HN 0.059 nan 8.210 nan 0.000 0.408 134 D N 0.522 120.852 120.400 -0.117 0.000 2.117 134 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 134 D C 2.067 178.351 176.300 -0.028 0.000 0.987 134 D CA 1.089 55.052 54.000 -0.061 0.000 0.829 134 D CB -0.265 40.500 40.800 -0.057 0.000 0.961 134 D HN 0.110 nan 8.370 nan 0.000 0.460 135 L N 0.059 121.256 121.223 -0.043 0.000 2.017 135 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 135 L C 2.178 179.153 176.870 0.174 0.000 1.073 135 L CA 1.443 56.317 54.840 0.057 0.000 0.745 135 L CB -1.061 41.039 42.059 0.068 0.000 0.894 135 L HN 0.079 nan 8.230 nan 0.000 0.432 136 Y N 0.349 120.659 120.300 0.017 0.000 2.224 136 Y HA -0.212 4.338 4.550 -0.000 0.000 0.289 136 Y C 2.485 178.398 175.900 0.022 0.000 1.146 136 Y CA 1.471 59.605 58.100 0.056 0.000 1.182 136 Y CB -0.311 38.166 38.460 0.030 0.000 0.983 136 Y HN 0.321 nan 8.280 nan 0.000 0.524 137 N N 0.403 119.090 118.700 -0.021 0.000 2.244 137 N HA -0.132 4.608 4.740 -0.000 0.000 0.183 137 N C 1.672 177.124 175.510 -0.097 0.000 1.016 137 N CA 1.322 54.283 53.050 -0.148 0.000 0.866 137 N CB -0.215 38.168 38.487 -0.174 0.000 0.980 137 N HN 0.539 nan 8.380 nan 0.000 0.430 138 E N -0.269 119.923 120.200 -0.014 0.000 2.077 138 E HA -0.167 4.182 4.350 -0.000 0.000 0.193 138 E C 1.525 178.136 176.600 0.018 0.000 0.989 138 E CA 0.768 57.174 56.400 0.009 0.000 0.800 138 E CB -0.170 29.559 29.700 0.048 0.000 0.746 138 E HN 0.307 nan 8.360 nan 0.000 0.452 139 F N 1.018 120.914 119.950 -0.090 0.000 2.146 139 F HA -0.084 4.443 4.527 -0.000 0.000 0.298 139 F C 1.751 177.456 175.800 -0.158 0.000 1.096 139 F CA 1.160 59.091 58.000 -0.115 0.000 1.275 139 F CB -0.026 38.897 39.000 -0.129 0.000 1.008 139 F HN -0.099 nan 8.300 nan 0.000 0.480 140 L N -0.704 120.241 121.223 -0.464 0.000 2.395 140 L HA -0.091 4.249 4.340 -0.000 0.000 0.218 140 L C 2.613 179.298 176.870 -0.309 0.000 1.130 140 L CA 0.836 55.367 54.840 -0.515 0.000 0.826 140 L CB -0.773 40.990 42.059 -0.492 0.000 0.941 140 L HN 0.209 nan 8.230 nan 0.000 0.451 141 S N 0.270 115.821 115.700 -0.248 0.000 2.365 141 S HA -0.300 4.170 4.470 -0.000 0.000 0.225 141 S C 1.987 176.471 174.600 -0.192 0.000 1.039 141 S CA 1.836 59.934 58.200 -0.169 0.000 1.033 141 S CB -0.044 63.086 63.200 -0.116 0.000 0.887 141 S HN 0.422 nan 8.310 nan 0.000 0.447 142 Q N 0.406 120.036 119.800 -0.284 0.000 2.291 142 Q HA -0.031 4.309 4.340 -0.000 0.000 0.205 142 Q C 1.192 176.925 176.000 -0.445 0.000 0.970 142 Q CA 1.484 57.078 55.803 -0.349 0.000 0.876 142 Q CB -0.393 28.097 28.738 -0.412 0.000 0.935 142 Q HN 0.702 nan 8.270 nan 0.000 0.455 143 H N -0.563 118.336 119.070 -0.284 0.000 2.536 143 H HA 0.134 4.690 4.556 -0.000 0.000 0.276 143 H C 0.212 175.452 175.328 -0.145 0.000 1.019 143 H CA 0.461 56.392 56.048 -0.195 0.000 1.159 143 H CB 0.057 29.701 29.762 -0.198 0.000 1.373 143 H HN 0.261 nan 8.280 nan 0.000 0.584 144 N N 0.657 119.309 118.700 -0.080 0.000 2.735 144 N HA -0.179 4.561 4.740 -0.000 0.000 0.248 144 N C -1.067 174.417 175.510 -0.045 0.000 1.083 144 N CA 0.377 53.393 53.050 -0.057 0.000 0.703 144 N CB -1.459 37.001 38.487 -0.045 0.000 1.005 144 N HN 0.399 nan 8.380 nan 0.000 0.550 145 I N -0.481 120.045 120.570 -0.073 0.000 2.647 145 I HA 0.450 4.620 4.170 -0.000 0.000 0.295 145 I C -0.273 175.760 176.117 -0.139 0.000 1.078 145 I CA -1.072 60.175 61.300 -0.089 0.000 1.048 145 I CB 2.230 40.161 38.000 -0.115 0.000 1.239 145 I HN -0.227 nan 8.210 nan 0.000 0.421 146 V N 4.593 124.430 119.914 -0.129 0.000 2.487 146 V HA 0.825 4.945 4.120 -0.000 0.000 0.298 146 V C -0.184 175.736 176.094 -0.291 0.000 1.028 146 V CA -0.417 61.702 62.300 -0.301 0.000 0.860 146 V CB 1.558 33.112 31.823 -0.449 0.000 0.991 146 V HN 0.824 nan 8.190 nan 0.000 0.427 147 A N 4.601 127.120 122.820 -0.501 0.000 2.454 147 A HA 1.000 5.320 4.320 -0.000 0.000 0.302 147 A C -1.424 175.815 177.584 -0.575 0.000 1.079 147 A CA -0.451 51.412 52.037 -0.290 0.000 0.731 147 A CB 1.483 20.398 19.000 -0.141 0.000 1.299 147 A HN 0.630 nan 8.150 nan 0.000 0.413 148 F N 0.257 120.457 119.950 0.418 0.000 2.588 148 F HA 0.532 5.058 4.527 -0.000 0.000 0.310 148 F C -2.442 173.498 175.800 0.233 0.000 1.082 148 F CA -2.160 56.016 58.000 0.293 0.000 0.929 148 F CB 2.271 41.441 39.000 0.284 0.000 1.254 148 F HN 0.264 nan 8.300 nan 0.000 0.455 149 P HA 0.100 nan 4.420 nan 0.000 0.265 149 P C 0.261 177.645 177.300 0.140 0.000 1.187 149 P CA 0.439 63.384 63.100 -0.258 0.000 0.766 149 P CB 0.527 32.022 31.700 -0.342 0.000 0.820 150 G N 1.391 110.193 108.800 0.003 0.000 4.238 150 G HA2 0.539 4.498 3.960 -0.000 0.000 0.292 150 G HA3 0.539 4.498 3.960 -0.000 0.000 0.292 150 G C 0.036 174.985 174.900 0.082 0.000 1.036 150 G CA 0.146 45.275 45.100 0.047 0.000 0.812 150 G HN 0.870 nan 8.290 nan 0.000 0.489 151 G N -0.260 108.594 108.800 0.091 0.000 2.317 151 G HA2 0.255 4.215 3.960 -0.000 0.000 0.445 151 G HA3 0.255 4.215 3.960 -0.000 0.000 0.445 151 G C -1.852 173.090 174.900 0.070 0.000 1.486 151 G CA -0.830 44.335 45.100 0.109 0.000 0.991 151 G HN 0.474 nan 8.290 nan 0.000 0.660 152 N N -1.574 117.191 118.700 0.108 0.000 2.242 152 N HA 0.669 5.409 4.740 -0.000 0.000 0.292 152 N C 1.140 176.693 175.510 0.073 0.000 1.125 152 N CA 0.091 53.187 53.050 0.077 0.000 0.783 152 N CB 1.856 40.409 38.487 0.110 0.000 1.558 152 N HN 0.789 nan 8.380 nan 0.000 0.472 153 T N -0.242 114.284 114.554 -0.047 0.000 3.081 153 T HA 0.379 4.728 4.350 -0.000 0.000 0.250 153 T C 0.990 175.555 174.700 -0.224 0.000 1.100 153 T CA 0.394 62.325 62.100 -0.282 0.000 1.038 153 T CB -0.502 68.103 68.868 -0.439 0.000 0.962 153 T HN 0.857 nan 8.240 nan 0.000 0.516 154 G N 1.211 109.971 108.800 -0.066 0.000 2.855 154 G HA2 -0.145 3.814 3.960 -0.000 0.000 0.352 154 G HA3 -0.145 3.814 3.960 -0.000 0.000 0.352 154 G C -0.415 174.438 174.900 -0.079 0.000 1.415 154 G CA -0.672 44.407 45.100 -0.035 0.000 0.871 154 G HN 0.775 nan 8.290 nan 0.000 0.543 155 V N 1.850 121.730 119.914 -0.056 0.000 2.617 155 V HA 0.140 4.260 4.120 -0.000 0.000 0.304 155 V C 1.277 177.286 176.094 -0.141 0.000 1.040 155 V CA 0.978 63.221 62.300 -0.095 0.000 1.149 155 V CB 0.720 32.505 31.823 -0.063 0.000 0.914 155 V HN 0.745 nan 8.190 nan 0.000 0.487 159 G N -1.244 107.850 108.800 0.489 0.000 2.525 159 G HA2 0.081 4.040 3.960 -0.000 0.000 0.685 159 G HA3 0.081 4.040 3.960 -0.000 0.000 0.685 159 G C -1.067 174.152 174.900 0.532 0.000 1.290 159 G CA -0.495 44.948 45.100 0.573 0.000 0.915 159 G HN 0.685 nan 8.290 nan 0.000 0.548 160 W N -0.632 120.965 121.300 0.496 0.000 2.429 160 W HA 0.752 5.412 4.660 -0.000 0.000 0.314 160 W C -0.526 176.172 176.519 0.298 0.000 1.062 160 W CA -0.617 56.977 57.345 0.414 0.000 1.211 160 W CB 1.431 30.953 29.460 0.102 0.000 1.305 160 W HN 0.389 nan 8.180 nan 0.000 0.476 161 F N 2.214 122.450 119.950 0.476 0.000 2.540 161 F HA 0.418 4.945 4.527 -0.000 0.000 0.317 161 F C 1.335 177.374 175.800 0.398 0.000 1.104 161 F CA -1.285 56.939 58.000 0.374 0.000 0.913 161 F CB 1.874 41.113 39.000 0.398 0.000 1.170 161 F HN 0.306 nan 8.300 nan 0.000 0.450 162 R N 1.130 121.853 120.500 0.372 0.000 2.115 162 R HA 0.117 4.457 4.340 -0.000 0.000 0.226 162 R C -0.045 176.516 176.300 0.435 0.000 1.100 162 R CA 0.902 57.187 56.100 0.308 0.000 0.980 162 R CB 0.185 30.573 30.300 0.147 0.000 0.875 162 R HN 0.525 nan 8.270 nan 0.000 0.445 163 R N 0.389 121.136 120.500 0.412 0.000 2.725 163 R HA 0.226 4.566 4.340 -0.000 0.000 0.277 163 R C -0.988 175.396 176.300 0.140 0.000 0.987 163 R CA -0.679 55.581 56.100 0.266 0.000 0.901 163 R CB 2.115 32.515 30.300 0.167 0.000 1.207 163 R HN 0.020 nan 8.270 nan 0.000 0.463 164 E N 2.604 122.683 120.200 -0.201 0.000 2.398 164 E HA 0.128 4.477 4.350 -0.000 0.000 0.263 164 E C -0.102 176.467 176.600 -0.051 0.000 1.046 164 E CA 0.073 56.347 56.400 -0.211 0.000 0.908 164 E CB 0.748 30.217 29.700 -0.386 0.000 0.963 164 E HN 0.387 nan 8.360 nan 0.000 0.431 165 I N -0.319 120.193 120.570 -0.097 0.000 2.433 165 I HA 0.383 4.553 4.170 -0.000 0.000 0.292 165 I C -0.067 176.037 176.117 -0.020 0.000 1.001 165 I CA -0.701 60.553 61.300 -0.077 0.000 1.119 165 I CB 1.573 39.513 38.000 -0.101 0.000 1.289 165 I HN 0.297 nan 8.210 nan 0.000 0.438 166 N N 2.747 121.448 118.700 0.002 0.000 2.325 166 N HA 0.080 4.820 4.740 -0.000 0.000 0.220 166 N C 0.317 175.835 175.510 0.014 0.000 1.176 166 N CA 0.655 53.716 53.050 0.018 0.000 0.861 166 N CB 1.168 39.657 38.487 0.003 0.000 1.230 166 N HN 0.887 nan 8.380 nan 0.000 0.479 167 T N -2.559 111.997 114.554 0.004 0.000 2.926 167 T HA 0.435 4.785 4.350 -0.000 0.000 0.289 167 T C 1.467 176.163 174.700 -0.007 0.000 1.054 167 T CA -0.630 61.468 62.100 -0.003 0.000 1.015 167 T CB 1.846 70.711 68.868 -0.006 0.000 1.167 167 T HN -0.264 nan 8.240 nan 0.000 0.526 168 V N 1.346 121.251 119.914 -0.016 0.000 2.332 168 V HA -0.140 3.980 4.120 -0.000 0.000 0.248 168 V C 3.164 179.251 176.094 -0.012 0.000 1.055 168 V CA 2.499 64.787 62.300 -0.021 0.000 1.038 168 V CB -1.611 30.194 31.823 -0.031 0.000 0.651 168 V HN 1.077 nan 8.190 nan 0.000 0.450 169 A N -0.546 122.269 122.820 -0.009 0.000 1.948 169 A HA -0.179 4.140 4.320 -0.000 0.000 0.220 169 A C 1.268 178.853 177.584 0.002 0.000 1.177 169 A CA 1.534 53.569 52.037 -0.005 0.000 0.636 169 A CB -0.549 18.449 19.000 -0.005 0.000 0.815 169 A HN 0.559 nan 8.150 nan 0.000 0.449 173 G N 2.326 111.124 108.800 -0.003 0.000 2.162 173 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.260 173 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.260 173 G C -0.253 174.644 174.900 -0.006 0.000 0.976 173 G CA 0.201 45.298 45.100 -0.006 0.000 0.655 173 G HN 0.764 nan 8.290 nan 0.000 0.533 174 L N 1.258 122.482 121.223 0.001 0.000 2.534 174 L HA 0.492 4.832 4.340 -0.000 0.000 0.271 174 L C 0.851 177.700 176.870 -0.035 0.000 1.178 174 L CA 0.367 55.206 54.840 -0.001 0.000 0.907 174 L CB 0.210 42.290 42.059 0.034 0.000 1.164 174 L HN 0.269 nan 8.230 nan 0.000 0.482 178 V N 2.300 122.125 119.914 -0.149 0.000 3.225 178 V HA 0.911 5.031 4.120 -0.000 0.000 0.293 178 V C -0.877 175.084 176.094 -0.222 0.000 1.405 178 V CA 0.265 62.414 62.300 -0.251 0.000 1.038 178 V CB 2.314 33.889 31.823 -0.414 0.000 1.123 178 V HN 0.817 nan 8.190 nan 0.000 0.447 179 G N 1.120 109.755 108.800 -0.274 0.000 2.911 179 G HA2 0.806 4.765 3.960 -0.000 0.000 0.299 179 G HA3 0.806 4.765 3.960 -0.000 0.000 0.299 179 G C 0.450 175.136 174.900 -0.358 0.000 1.283 179 G CA 0.085 45.058 45.100 -0.211 0.000 0.805 179 G HN 2.205 nan 8.290 nan 0.000 0.548 180 G N -0.743 107.848 108.800 -0.348 0.000 2.582 180 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.288 180 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.288 180 G C 0.944 175.117 174.900 -1.212 0.000 1.247 180 G CA 0.922 45.395 45.100 -1.045 0.000 0.972 180 G HN 0.929 nan 8.290 nan 0.000 0.557 181 F N 1.462 120.625 119.950 -1.311 0.000 2.134 181 F HA 0.069 4.596 4.527 -0.000 0.000 0.299 181 F C 3.184 178.717 175.800 -0.444 0.000 1.097 181 F CA 2.774 60.326 58.000 -0.747 0.000 1.264 181 F CB -0.557 38.156 39.000 -0.478 0.000 1.001 181 F HN 0.605 nan 8.300 nan 0.000 0.479 182 A N 0.148 122.758 122.820 -0.351 0.000 1.865 182 A HA -0.140 4.179 4.320 -0.000 0.000 0.217 182 A C 2.529 179.893 177.584 -0.367 0.000 1.191 182 A CA 1.942 53.686 52.037 -0.489 0.000 0.623 182 A CB -1.665 16.605 19.000 -1.217 0.000 0.826 182 A HN 0.417 nan 8.150 nan 0.000 0.444 183 G N -0.618 107.942 108.800 -0.399 0.000 2.418 183 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 183 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 183 G C 1.650 176.461 174.900 -0.149 0.000 1.158 183 G CA 1.282 46.229 45.100 -0.255 0.000 0.771 183 G HN 0.599 nan 8.290 nan 0.000 0.545 184 K N -0.126 120.177 120.400 -0.163 0.000 2.026 184 K HA -0.001 4.319 4.320 -0.000 0.000 0.208 184 K C 1.369 177.926 176.600 -0.072 0.000 1.048 184 K CA 0.413 56.639 56.287 -0.101 0.000 0.929 184 K CB -0.302 32.117 32.500 -0.135 0.000 0.713 184 K HN 0.176 nan 8.250 nan 0.000 0.439 188 R N 0.719 121.198 120.500 -0.036 0.000 2.193 188 R HA 0.019 4.358 4.340 -0.000 0.000 0.229 188 R C 1.619 177.897 176.300 -0.037 0.000 1.110 188 R CA 0.903 56.979 56.100 -0.040 0.000 0.988 188 R CB -0.016 30.254 30.300 -0.051 0.000 0.871 188 R HN 0.308 nan 8.270 nan 0.000 0.458 189 L N -0.795 120.409 121.223 -0.031 0.000 2.728 189 L HA 0.273 4.613 4.340 -0.000 0.000 0.238 189 L C 0.987 177.845 176.870 -0.020 0.000 1.143 189 L CA 0.288 55.110 54.840 -0.029 0.000 0.937 189 L CB 0.553 42.592 42.059 -0.033 0.000 1.225 189 L HN 0.312 nan 8.230 nan 0.000 0.507 190 G N 0.524 109.312 108.800 -0.020 0.000 2.176 190 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.232 190 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.232 190 G C 0.319 175.210 174.900 -0.015 0.000 0.986 190 G CA 0.116 45.206 45.100 -0.017 0.000 0.643 190 G HN 0.203 nan 8.290 nan 0.000 0.522 191 V N 0.247 120.153 119.914 -0.015 0.000 2.924 191 V HA 0.709 4.829 4.120 -0.000 0.000 0.305 191 V C 0.915 176.989 176.094 -0.033 0.000 1.073 191 V CA 0.176 62.464 62.300 -0.019 0.000 1.098 191 V CB 1.820 33.635 31.823 -0.014 0.000 1.000 191 V HN 1.594 nan 8.190 nan 0.000 0.484 192 V N 6.298 126.189 119.914 -0.039 0.000 2.275 192 V HA 0.628 4.747 4.120 -0.000 0.000 0.272 192 V C -2.431 173.629 176.094 -0.057 0.000 1.028 192 V CA -2.151 60.124 62.300 -0.042 0.000 0.810 192 V CB 0.861 32.665 31.823 -0.032 0.000 1.043 192 V HN 1.009 nan 8.190 nan 0.000 0.453 193 P HA 0.172 nan 4.420 nan 0.000 0.265 193 P C -0.802 176.460 177.300 -0.063 0.000 1.193 193 P CA 0.416 63.467 63.100 -0.082 0.000 0.765 193 P CB 0.343 31.992 31.700 -0.086 0.000 0.823 194 Q N 2.317 122.076 119.800 -0.067 0.000 2.309 194 Q HA 0.361 4.700 4.340 -0.000 0.000 0.264 194 Q C -0.547 175.432 176.000 -0.036 0.000 1.008 194 Q CA -0.732 55.042 55.803 -0.048 0.000 0.853 194 Q CB 1.770 30.477 28.738 -0.051 0.000 1.314 194 Q HN 0.364 nan 8.270 nan 0.000 0.448 195 Q N 1.835 121.623 119.800 -0.020 0.000 2.372 195 Q HA 0.622 4.962 4.340 -0.000 0.000 0.259 195 Q C -0.755 175.247 176.000 0.004 0.000 0.993 195 Q CA 0.205 56.003 55.803 -0.008 0.000 0.854 195 Q CB 1.287 30.021 28.738 -0.007 0.000 1.231 195 Q HN 0.451 nan 8.270 nan 0.000 0.462 196 I N 1.085 121.668 120.570 0.022 0.000 2.607 196 I HA 0.606 4.776 4.170 -0.000 0.000 0.290 196 I C -0.414 175.747 176.117 0.073 0.000 1.129 196 I CA -1.402 59.921 61.300 0.038 0.000 1.042 196 I CB 2.101 40.123 38.000 0.035 0.000 1.242 196 I HN 0.577 nan 8.210 nan 0.000 0.421 197 A N 3.677 126.539 122.820 0.069 0.000 2.498 197 A HA 0.394 4.714 4.320 -0.000 0.000 0.239 197 A C 1.489 179.164 177.584 0.152 0.000 1.068 197 A CA 0.579 52.673 52.037 0.095 0.000 0.766 197 A CB 0.106 19.146 19.000 0.066 0.000 1.003 197 A HN 1.062 nan 8.150 nan 0.000 0.497 198 G N 2.024 110.961 108.800 0.229 0.000 2.505 198 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.220 198 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.220 198 G C 1.376 176.384 174.900 0.181 0.000 1.145 198 G CA 1.374 46.682 45.100 0.346 0.000 0.761 198 G HN 1.281 nan 8.290 nan 0.000 0.571 199 G N -0.242 108.628 108.800 0.117 0.000 2.509 199 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.218 199 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.218 199 G C 1.268 176.202 174.900 0.057 0.000 1.124 199 G CA 0.984 46.116 45.100 0.052 0.000 0.776 199 G HN 0.378 nan 8.290 nan 0.000 0.547 200 D N -0.031 120.415 120.400 0.078 0.000 2.360 200 D HA 0.128 4.768 4.640 -0.000 0.000 0.210 200 D C 2.338 178.687 176.300 0.081 0.000 1.047 200 D CA -0.175 53.866 54.000 0.068 0.000 0.854 200 D CB 0.452 41.282 40.800 0.050 0.000 0.936 200 D HN 0.349 nan 8.370 nan 0.000 0.514 201 I N 0.197 120.835 120.570 0.114 0.000 2.163 201 I HA -0.283 3.886 4.170 -0.000 0.000 0.240 201 I C 2.379 178.561 176.117 0.109 0.000 1.081 201 I CA 0.984 62.338 61.300 0.091 0.000 1.353 201 I CB -0.344 37.716 38.000 0.100 0.000 1.054 201 I HN -0.030 nan 8.210 nan 0.000 0.407 202 Y N 2.480 122.840 120.300 0.101 0.000 2.081 202 Y HA -0.231 4.318 4.550 -0.000 0.000 0.280 202 Y C -0.481 175.412 175.900 -0.012 0.000 1.163 202 Y CA 2.149 60.287 58.100 0.064 0.000 1.135 202 Y CB -1.542 36.897 38.460 -0.034 0.000 0.970 202 Y HN 0.100 nan 8.280 nan 0.000 0.498 203 P HA -0.216 nan 4.420 nan 0.000 0.216 203 P C 1.307 178.604 177.300 -0.005 0.000 1.150 203 P CA 2.446 65.602 63.100 0.092 0.000 0.837 203 P CB -0.320 31.431 31.700 0.085 0.000 0.786 204 A N -0.735 122.080 122.820 -0.009 0.000 1.898 204 A HA -0.145 4.174 4.320 -0.000 0.000 0.216 204 A C 2.230 179.768 177.584 -0.076 0.000 1.181 204 A CA 1.340 53.355 52.037 -0.036 0.000 0.620 204 A CB -1.602 17.381 19.000 -0.028 0.000 0.819 204 A HN 0.105 nan 8.150 nan 0.000 0.442 205 L N -0.233 120.917 121.223 -0.122 0.000 2.017 205 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 205 L C 2.772 179.538 176.870 -0.174 0.000 1.073 205 L CA 1.938 56.682 54.840 -0.161 0.000 0.745 205 L CB -0.618 41.306 42.059 -0.225 0.000 0.894 205 L HN 0.751 nan 8.230 nan 0.000 0.432 206 E N 0.676 120.730 120.200 -0.243 0.000 2.106 206 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 206 E C 1.908 178.448 176.600 -0.099 0.000 0.984 206 E CA 1.203 57.478 56.400 -0.209 0.000 0.806 206 E CB -0.123 29.420 29.700 -0.261 0.000 0.750 206 E HN 0.390 nan 8.360 nan 0.000 0.458 207 K N -0.206 120.152 120.400 -0.070 0.000 2.432 207 K HA 0.095 4.415 4.320 -0.000 0.000 0.196 207 K C 1.042 177.621 176.600 -0.034 0.000 1.038 207 K CA 0.510 56.774 56.287 -0.039 0.000 0.986 207 K CB 0.242 32.727 32.500 -0.025 0.000 0.782 207 K HN 0.379 nan 8.250 nan 0.000 0.485 208 G N 0.998 109.771 108.800 -0.045 0.000 2.147 208 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 208 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 208 G C 0.770 175.654 174.900 -0.028 0.000 1.005 208 G CA 0.704 45.786 45.100 -0.031 0.000 0.713 208 G HN 0.277 nan 8.290 nan 0.000 0.515 209 T N 0.071 114.605 114.554 -0.034 0.000 2.904 209 T HA 0.250 4.599 4.350 -0.000 0.000 0.267 209 T C 1.408 176.087 174.700 -0.036 0.000 1.059 209 T CA 1.452 63.535 62.100 -0.029 0.000 1.137 209 T CB -0.122 68.731 68.868 -0.025 0.000 0.879 209 T HN 0.999 nan 8.240 nan 0.000 0.467 210 I N -2.698 117.841 120.570 -0.051 0.000 3.002 210 I HA 0.552 4.721 4.170 -0.000 0.000 0.310 210 I C -0.194 175.878 176.117 -0.075 0.000 1.087 210 I CA -1.022 60.238 61.300 -0.067 0.000 1.017 210 I CB 1.966 39.916 38.000 -0.083 0.000 1.226 210 I HN -0.342 nan 8.210 nan 0.000 0.443 211 D N 1.756 122.099 120.400 -0.096 0.000 2.324 211 D HA 0.365 5.004 4.640 -0.000 0.000 0.212 211 D C 0.461 176.646 176.300 -0.192 0.000 0.984 211 D CA 0.783 54.728 54.000 -0.091 0.000 0.885 211 D CB 1.108 41.870 40.800 -0.064 0.000 0.996 211 D HN 0.694 nan 8.370 nan 0.000 0.505 212 A N -0.546 122.087 122.820 -0.312 0.000 2.610 212 A HA 0.603 4.923 4.320 -0.000 0.000 0.291 212 A C -1.054 176.323 177.584 -0.345 0.000 1.086 212 A CA -0.452 51.264 52.037 -0.535 0.000 0.677 212 A CB 2.146 20.340 19.000 -1.343 0.000 1.278 212 A HN -0.104 nan 8.150 nan 0.000 0.414 213 T N 0.042 114.442 114.554 -0.256 0.000 2.916 213 T HA 0.560 4.910 4.350 -0.000 0.000 0.305 213 T C -0.721 174.042 174.700 0.105 0.000 1.119 213 T CA -0.131 61.898 62.100 -0.118 0.000 1.008 213 T CB 1.126 69.854 68.868 -0.233 0.000 1.129 213 T HN 0.974 nan 8.240 nan 0.000 0.480 214 E N 3.802 124.102 120.200 0.167 0.000 2.345 214 E HA 0.371 4.721 4.350 -0.000 0.000 0.259 214 E C -0.014 176.926 176.600 0.566 0.000 1.117 214 E CA -0.740 55.882 56.400 0.369 0.000 0.913 214 E CB 1.343 31.177 29.700 0.222 0.000 1.057 214 E HN 0.701 nan 8.360 nan 0.000 0.432 215 W N 1.199 122.744 121.300 0.409 0.000 4.483 215 W HA 0.203 4.862 4.660 -0.000 0.000 0.459 215 W C 0.218 176.967 176.519 0.384 0.000 3.471 215 W CA 0.229 57.829 57.345 0.425 0.000 1.137 215 W CB 0.266 30.089 29.460 0.605 0.000 2.116 215 W HN 0.416 nan 8.180 nan 0.000 0.349 216 V N -0.157 120.076 119.914 0.531 0.000 5.036 216 V HA 0.589 4.709 4.120 -0.000 0.000 0.136 216 V C 0.502 176.798 176.094 0.337 0.000 1.061 216 V CA 0.556 63.035 62.300 0.297 0.000 1.300 216 V CB 0.354 32.302 31.823 0.207 0.000 1.903 216 V HN 0.403 nan 8.190 nan 0.000 0.543 217 G N -0.882 108.174 108.800 0.426 0.000 2.749 217 G HA2 0.520 4.480 3.960 -0.000 0.000 0.300 217 G HA3 0.520 4.480 3.960 -0.000 0.000 0.300 217 G C -2.758 172.473 174.900 0.550 0.000 1.352 217 G CA -0.241 45.093 45.100 0.390 0.000 0.789 217 G HN 0.146 nan 8.290 nan 0.000 0.509 218 P HA -0.143 nan 4.420 nan 0.000 0.215 218 P C 1.351 178.896 177.300 0.409 0.000 1.157 218 P CA 1.224 64.617 63.100 0.489 0.000 0.874 218 P CB -0.017 31.884 31.700 0.335 0.000 0.790 219 Y N 1.000 121.490 120.300 0.316 0.000 2.114 219 Y HA -0.203 4.347 4.550 -0.000 0.000 0.284 219 Y C 1.974 178.045 175.900 0.284 0.000 1.143 219 Y CA 1.825 60.085 58.100 0.266 0.000 1.135 219 Y CB -0.693 37.928 38.460 0.268 0.000 0.980 219 Y HN -0.109 nan 8.280 nan 0.000 0.499 220 D N -0.172 120.415 120.400 0.312 0.000 2.149 220 D HA -0.144 4.495 4.640 -0.000 0.000 0.201 220 D C 1.461 177.918 176.300 0.262 0.000 0.972 220 D CA 1.474 55.634 54.000 0.267 0.000 0.835 220 D CB -0.217 40.905 40.800 0.538 0.000 0.966 220 D HN 0.470 nan 8.370 nan 0.000 0.476 221 D N 0.875 121.517 120.400 0.403 0.000 2.178 221 D HA -0.121 4.518 4.640 -0.000 0.000 0.202 221 D C 1.856 178.165 176.300 0.014 0.000 0.974 221 D CA 0.494 54.701 54.000 0.345 0.000 0.841 221 D CB -0.250 41.026 40.800 0.794 0.000 0.953 221 D HN 0.351 nan 8.370 nan 0.000 0.478 222 E N 1.079 121.324 120.200 0.074 0.000 2.118 222 E HA -0.214 4.135 4.350 -0.000 0.000 0.195 222 E C 1.498 178.054 176.600 -0.074 0.000 0.992 222 E CA 0.990 57.398 56.400 0.013 0.000 0.804 222 E CB 0.139 29.839 29.700 -0.000 0.000 0.741 222 E HN 0.227 nan 8.360 nan 0.000 0.458 223 K N 0.135 120.440 120.400 -0.158 0.000 2.209 223 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 223 K C 2.043 178.435 176.600 -0.347 0.000 1.048 223 K CA 0.642 56.805 56.287 -0.206 0.000 0.940 223 K CB 0.035 32.426 32.500 -0.182 0.000 0.729 223 K HN 0.212 nan 8.250 nan 0.000 0.451 224 L N 0.016 120.901 121.223 -0.563 0.000 2.313 224 L HA 0.008 4.347 4.340 -0.000 0.000 0.214 224 L C 1.341 177.634 176.870 -0.961 0.000 1.119 224 L CA 1.439 55.693 54.840 -0.977 0.000 0.809 224 L CB -1.267 39.703 42.059 -1.815 0.000 0.933 224 L HN 0.541 nan 8.230 nan 0.000 0.449 225 G N -0.571 107.806 108.800 -0.706 0.000 2.179 225 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.257 225 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.257 225 G C 0.713 175.126 174.900 -0.811 0.000 1.010 225 G CA 0.471 45.112 45.100 -0.765 0.000 0.736 225 G HN 0.238 nan 8.290 nan 0.000 0.513 226 F N 0.476 119.979 119.950 -0.745 0.000 2.192 226 F HA -0.016 4.511 4.527 -0.000 0.000 0.301 226 F C 2.597 177.932 175.800 -0.776 0.000 1.079 226 F CA 1.409 58.909 58.000 -0.832 0.000 1.303 226 F CB -1.071 37.175 39.000 -1.257 0.000 1.024 226 F HN 0.488 nan 8.300 nan 0.000 0.494 227 F N 0.253 119.793 119.950 -0.684 0.000 2.287 227 F HA -0.137 4.390 4.527 -0.000 0.000 0.301 227 F C 1.810 177.562 175.800 -0.080 0.000 1.069 227 F CA 1.009 58.870 58.000 -0.231 0.000 1.372 227 F CB -1.461 37.472 39.000 -0.111 0.000 1.056 227 F HN -0.109 nan 8.300 nan 0.000 0.523 228 K N 0.705 120.718 120.400 -0.646 0.000 2.217 228 K HA 0.011 4.330 4.320 -0.000 0.000 0.202 228 K C 1.715 178.184 176.600 -0.219 0.000 1.051 228 K CA 1.490 57.551 56.287 -0.376 0.000 0.952 228 K CB -0.024 32.236 32.500 -0.401 0.000 0.736 228 K HN 0.473 nan 8.250 nan 0.000 0.453 229 V N -4.693 115.057 119.914 -0.272 0.000 3.502 229 V HA 0.466 4.585 4.120 -0.000 0.000 0.288 229 V C 0.051 176.083 176.094 -0.103 0.000 1.461 229 V CA -0.248 61.900 62.300 -0.252 0.000 1.029 229 V CB 0.894 32.402 31.823 -0.526 0.000 0.843 229 V HN -0.004 nan 8.190 nan 0.000 0.438 230 A N 1.785 124.606 122.820 0.001 0.000 2.768 230 A HA 0.775 5.095 4.320 -0.000 0.000 0.299 230 A C -2.056 175.722 177.584 0.324 0.000 1.171 230 A CA -0.795 51.352 52.037 0.183 0.000 0.759 230 A CB 0.968 20.103 19.000 0.225 0.000 1.267 230 A HN 0.170 nan 8.150 nan 0.000 0.421 231 P HA -0.008 nan 4.420 nan 0.000 0.231 231 P C -0.203 177.103 177.300 0.010 0.000 1.168 231 P CA 0.788 63.915 63.100 0.046 0.000 0.779 231 P CB -0.081 31.479 31.700 -0.233 0.000 0.844 232 Y N -0.128 120.386 120.300 0.358 0.000 2.365 232 Y HA 0.292 4.841 4.550 -0.000 0.000 0.340 232 Y C 0.391 176.459 175.900 0.280 0.000 1.016 232 Y CA -0.651 57.596 58.100 0.245 0.000 1.196 232 Y CB 0.129 38.750 38.460 0.268 0.000 1.167 232 Y HN -0.084 nan 8.280 nan 0.000 0.509 233 Y N 4.863 125.122 120.300 -0.069 0.000 2.402 233 Y HA 0.356 4.906 4.550 -0.000 0.000 0.332 233 Y C -1.251 174.445 175.900 -0.341 0.000 0.960 233 Y CA -2.161 55.697 58.100 -0.404 0.000 1.228 233 Y CB -0.219 37.837 38.460 -0.673 0.000 1.120 233 Y HN 0.564 nan 8.280 nan 0.000 0.491 234 Y N 5.633 125.788 120.300 -0.241 0.000 2.316 234 Y HA 0.422 4.972 4.550 -0.000 0.000 0.324 234 Y C -0.488 175.051 175.900 -0.602 0.000 1.267 234 Y CA 0.092 57.797 58.100 -0.659 0.000 1.311 234 Y CB 1.025 38.773 38.460 -1.186 0.000 1.267 234 Y HN 0.540 nan 8.280 nan 0.000 0.516 235 Y N 0.245 120.164 120.300 -0.635 0.000 2.624 235 Y HA 0.663 5.212 4.550 -0.000 0.000 0.334 235 Y C -3.409 172.395 175.900 -0.160 0.000 1.155 235 Y CA -3.185 54.678 58.100 -0.395 0.000 1.046 235 Y CB 0.877 39.112 38.460 -0.376 0.000 1.316 235 Y HN 0.241 nan 8.280 nan 0.000 0.457 236 P HA 0.292 nan 4.420 nan 0.000 0.281 236 P C -0.130 177.135 177.300 -0.057 0.000 1.264 236 P CA -0.248 62.912 63.100 0.101 0.000 0.824 236 P CB 1.450 33.212 31.700 0.104 0.000 1.092 237 G N 1.943 110.477 108.800 -0.444 0.000 2.716 237 G HA2 0.062 4.022 3.960 -0.000 0.000 0.296 237 G HA3 0.062 4.022 3.960 -0.000 0.000 0.296 237 G C 1.100 175.232 174.900 -1.279 0.000 0.811 237 G CA -0.672 43.624 45.100 -1.340 0.000 1.758 237 G HN 0.659 nan 8.290 nan 0.000 0.512 238 W N 1.581 122.401 121.300 -0.800 0.000 2.611 238 W HA -0.022 4.638 4.660 -0.000 0.000 0.251 238 W C 0.942 177.069 176.519 -0.653 0.000 1.265 238 W CA 0.054 57.014 57.345 -0.641 0.000 1.295 238 W CB -0.713 28.373 29.460 -0.623 0.000 1.129 238 W HN 0.769 nan 8.180 nan 0.000 0.630 239 W N 1.542 122.399 121.300 -0.739 0.000 3.139 239 W HA 0.336 4.996 4.660 -0.000 0.000 0.260 239 W C 0.136 176.447 176.519 -0.347 0.000 1.312 239 W CA 0.365 57.377 57.345 -0.556 0.000 1.606 239 W CB -0.708 28.277 29.460 -0.793 0.000 1.118 239 W HN -0.152 nan 8.180 nan 0.000 0.675 240 E N 0.439 120.316 120.200 -0.540 0.000 3.626 240 E HA 0.164 4.514 4.350 -0.000 0.000 0.245 240 E C 1.283 177.746 176.600 -0.228 0.000 1.236 240 E CA -0.137 56.092 56.400 -0.285 0.000 1.072 240 E CB 0.782 30.352 29.700 -0.217 0.000 1.309 240 E HN 0.250 nan 8.360 nan 0.000 0.400 241 G N 0.657 109.375 108.800 -0.137 0.000 2.422 241 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.218 241 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.218 241 G C 0.864 175.759 174.900 -0.009 0.000 1.140 241 G CA 0.708 45.777 45.100 -0.052 0.000 0.775 241 G HN 0.393 nan 8.290 nan 0.000 0.545 242 G N -0.030 108.769 108.800 -0.001 0.000 4.220 242 G HA2 0.500 4.460 3.960 -0.000 0.000 0.256 242 G HA3 0.500 4.460 3.960 -0.000 0.000 0.256 242 G C -3.271 171.649 174.900 0.033 0.000 1.520 242 G CA -0.680 44.433 45.100 0.021 0.000 0.608 242 G HN 0.021 nan 8.290 nan 0.000 0.415 243 P HA 0.221 nan 4.420 nan 0.000 0.276 243 P C 0.578 177.894 177.300 0.028 0.000 1.264 243 P CA 0.232 63.364 63.100 0.052 0.000 0.769 243 P CB 1.142 32.885 31.700 0.072 0.000 0.840 244 T N 1.600 116.182 114.554 0.046 0.000 2.889 244 T HA 0.350 4.700 4.350 -0.000 0.000 0.291 244 T C -0.316 174.317 174.700 -0.111 0.000 0.995 244 T CA -0.526 61.558 62.100 -0.027 0.000 1.092 244 T CB 0.263 69.108 68.868 -0.038 0.000 0.954 244 T HN 0.014 nan 8.240 nan 0.000 0.506 245 V N 5.422 125.233 119.914 -0.170 0.000 2.311 245 V HA 0.309 4.429 4.120 -0.000 0.000 0.275 245 V C -0.104 175.843 176.094 -0.246 0.000 1.022 245 V CA -0.833 61.337 62.300 -0.217 0.000 0.830 245 V CB 0.023 31.669 31.823 -0.295 0.000 1.012 245 V HN 0.969 nan 8.190 nan 0.000 0.452 246 H N 3.733 122.731 119.070 -0.119 0.000 2.562 246 H HA 0.492 5.048 4.556 -0.000 0.000 0.352 246 H C -0.162 175.119 175.328 -0.078 0.000 1.125 246 H CA 0.263 56.295 56.048 -0.027 0.000 1.379 246 H CB 0.681 30.500 29.762 0.096 0.000 1.464 246 H HN 0.482 nan 8.280 nan 0.000 0.563 250 N N 3.326 122.049 118.700 0.039 0.000 2.359 250 N HA -0.050 4.690 4.740 -0.000 0.000 0.261 250 N C 0.942 176.502 175.510 0.083 0.000 1.267 250 N CA 0.442 53.491 53.050 -0.001 0.000 0.864 250 N CB 1.096 39.534 38.487 -0.081 0.000 1.063 250 N HN 0.921 nan 8.380 nan 0.000 0.474 251 K N 2.461 122.901 120.400 0.067 0.000 2.057 251 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 251 K C 1.696 178.386 176.600 0.150 0.000 1.049 251 K CA 1.463 57.819 56.287 0.116 0.000 0.931 251 K CB 0.053 32.582 32.500 0.047 0.000 0.714 251 K HN 0.539 nan 8.250 nan 0.000 0.440 252 S N 0.561 116.310 115.700 0.083 0.000 2.368 252 S HA -0.154 4.315 4.470 -0.000 0.000 0.225 252 S C 2.040 176.705 174.600 0.108 0.000 1.030 252 S CA 1.188 59.434 58.200 0.077 0.000 0.999 252 S CB -0.315 62.908 63.200 0.038 0.000 0.844 252 S HN 0.526 nan 8.310 nan 0.000 0.459 253 A N 0.678 123.550 122.820 0.087 0.000 1.877 253 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 253 A C 1.984 179.771 177.584 0.339 0.000 1.186 253 A CA 1.681 53.793 52.037 0.125 0.000 0.620 253 A CB -1.022 17.837 19.000 -0.236 0.000 0.822 253 A HN 0.581 nan 8.150 nan 0.000 0.443 254 Y N 0.835 121.261 120.300 0.209 0.000 2.145 254 Y HA -0.187 4.363 4.550 -0.000 0.000 0.286 254 Y C 2.197 178.218 175.900 0.201 0.000 1.145 254 Y CA 2.268 60.537 58.100 0.283 0.000 1.148 254 Y CB -0.274 38.333 38.460 0.245 0.000 0.981 254 Y HN 0.463 nan 8.280 nan 0.000 0.507 255 E N -0.756 119.535 120.200 0.152 0.000 2.268 255 E HA -0.110 4.239 4.350 -0.000 0.000 0.195 255 E C 2.180 178.770 176.600 -0.016 0.000 0.995 255 E CA 0.693 57.112 56.400 0.031 0.000 0.836 255 E CB -0.329 29.436 29.700 0.108 0.000 0.763 255 E HN 0.640 nan 8.360 nan 0.000 0.491 256 G N 0.724 109.547 108.800 0.037 0.000 2.650 256 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.214 256 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.214 256 G C 0.692 175.581 174.900 -0.018 0.000 1.136 256 G CA -0.162 44.956 45.100 0.030 0.000 0.789 256 G HN 0.014 nan 8.290 nan 0.000 0.536 257 L N 1.863 123.055 121.223 -0.052 0.000 2.452 257 L HA 0.238 4.578 4.340 -0.000 0.000 0.267 257 L C 1.357 178.126 176.870 -0.168 0.000 1.188 257 L CA -0.584 54.174 54.840 -0.136 0.000 0.821 257 L CB 0.686 42.647 42.059 -0.163 0.000 1.102 257 L HN 0.129 nan 8.230 nan 0.000 0.470 258 T N -0.974 113.454 114.554 -0.209 0.000 2.856 258 T HA 0.096 4.446 4.350 -0.000 0.000 0.306 258 T C -1.840 172.780 174.700 -0.134 0.000 1.062 258 T CA -1.386 60.600 62.100 -0.191 0.000 1.083 258 T CB 0.736 69.436 68.868 -0.280 0.000 0.984 258 T HN 0.390 nan 8.240 nan 0.000 0.542 259 P HA -0.097 nan 4.420 nan 0.000 0.217 259 P C 1.660 178.945 177.300 -0.024 0.000 1.148 259 P CA 1.136 64.200 63.100 -0.061 0.000 0.828 259 P CB -0.245 31.429 31.700 -0.043 0.000 0.783 260 T N -1.612 112.928 114.554 -0.024 0.000 2.674 260 T HA -0.185 4.165 4.350 -0.000 0.000 0.265 260 T C 1.499 176.312 174.700 0.188 0.000 1.039 260 T CA 1.363 63.490 62.100 0.046 0.000 1.150 260 T CB -0.909 67.961 68.868 0.003 0.000 0.864 260 T HN 0.030 nan 8.240 nan 0.000 0.427 261 Y N 1.863 122.110 120.300 -0.088 0.000 2.314 261 Y HA 0.029 4.579 4.550 -0.000 0.000 0.293 261 Y C 2.614 178.503 175.900 -0.018 0.000 1.129 261 Y CA 0.004 58.072 58.100 -0.053 0.000 1.201 261 Y CB -0.797 37.506 38.460 -0.262 0.000 0.999 261 Y HN 0.363 nan 8.280 nan 0.000 0.541 262 Q N -1.075 118.748 119.800 0.039 0.000 2.050 262 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 262 Q C 2.577 178.595 176.000 0.030 0.000 0.980 262 Q CA 1.924 57.700 55.803 -0.045 0.000 0.840 262 Q CB -0.391 28.229 28.738 -0.197 0.000 0.898 262 Q HN 0.309 nan 8.270 nan 0.000 0.424 263 S N 0.672 116.387 115.700 0.025 0.000 2.348 263 S HA -0.163 4.307 4.470 -0.000 0.000 0.221 263 S C 1.905 176.492 174.600 -0.022 0.000 1.033 263 S CA 1.056 59.259 58.200 0.006 0.000 1.010 263 S CB -0.292 62.918 63.200 0.016 0.000 0.891 263 S HN 0.326 nan 8.310 nan 0.000 0.442 264 L N 1.488 122.710 121.223 -0.001 0.000 2.043 264 L HA -0.052 4.288 4.340 -0.000 0.000 0.212 264 L C 2.177 178.964 176.870 -0.137 0.000 1.075 264 L CA 1.876 56.680 54.840 -0.060 0.000 0.752 264 L CB -0.948 41.076 42.059 -0.058 0.000 0.891 264 L HN 0.468 nan 8.230 nan 0.000 0.432 265 L N -0.383 120.772 121.223 -0.114 0.000 2.017 265 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 265 L C 2.693 179.417 176.870 -0.245 0.000 1.073 265 L CA 1.727 56.442 54.840 -0.208 0.000 0.745 265 L CB -0.648 41.351 42.059 -0.101 0.000 0.894 265 L HN 0.266 nan 8.230 nan 0.000 0.432 266 R N -1.385 118.944 120.500 -0.285 0.000 2.081 266 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 266 R C 2.082 178.282 176.300 -0.166 0.000 1.131 266 R CA 1.833 57.668 56.100 -0.442 0.000 0.960 266 R CB -0.917 29.110 30.300 -0.454 0.000 0.856 266 R HN 0.398 nan 8.270 nan 0.000 0.436 267 T N 1.071 115.569 114.554 -0.094 0.000 2.708 267 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 267 T C 1.968 176.650 174.700 -0.030 0.000 1.037 267 T CA 1.543 63.626 62.100 -0.029 0.000 1.146 267 T CB -0.252 68.586 68.868 -0.049 0.000 0.865 267 T HN 0.396 nan 8.240 nan 0.000 0.435 268 A N 0.497 123.259 122.820 -0.096 0.000 1.902 268 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 268 A C 2.708 180.268 177.584 -0.040 0.000 1.181 268 A CA 1.516 53.486 52.037 -0.112 0.000 0.623 268 A CB -1.282 17.583 19.000 -0.224 0.000 0.818 268 A HN 0.639 nan 8.150 nan 0.000 0.443 269 C N -1.768 117.525 119.300 -0.011 0.000 2.429 269 C HA -0.087 4.373 4.460 -0.000 0.000 0.277 269 C C 2.547 177.704 174.990 0.278 0.000 1.262 269 C CA 1.131 60.250 59.018 0.168 0.000 1.733 269 C CB -1.681 26.231 27.740 0.288 0.000 2.010 269 C HN 0.794 nan 8.230 nan 0.000 0.483 270 H N 0.475 119.608 119.070 0.105 0.000 2.352 270 H HA -0.130 4.426 4.556 -0.000 0.000 0.299 270 H C 2.286 177.631 175.328 0.028 0.000 1.097 270 H CA 1.356 57.457 56.048 0.087 0.000 1.311 270 H CB 0.041 29.779 29.762 -0.039 0.000 1.377 270 H HN 0.452 nan 8.280 nan 0.000 0.504 271 A N 0.726 123.615 122.820 0.114 0.000 1.898 271 A HA -0.095 4.224 4.320 -0.000 0.000 0.216 271 A C 2.522 180.150 177.584 0.073 0.000 1.181 271 A CA 1.381 53.431 52.037 0.021 0.000 0.620 271 A CB -1.005 17.974 19.000 -0.035 0.000 0.819 271 A HN 0.576 nan 8.150 nan 0.000 0.442 272 A N -0.092 122.798 122.820 0.116 0.000 1.930 272 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 272 A C 1.803 179.507 177.584 0.200 0.000 1.175 272 A CA 2.091 54.218 52.037 0.150 0.000 0.627 272 A CB -0.647 18.482 19.000 0.215 0.000 0.815 272 A HN 0.567 nan 8.150 nan 0.000 0.443 273 D N -0.042 120.511 120.400 0.255 0.000 2.097 273 D HA -0.064 4.575 4.640 -0.000 0.000 0.195 273 D C 2.030 178.451 176.300 0.202 0.000 0.989 273 D CA 1.799 55.950 54.000 0.252 0.000 0.827 273 D CB -0.221 40.780 40.800 0.335 0.000 0.966 273 D HN 0.320 nan 8.370 nan 0.000 0.456 274 A N 0.371 123.298 122.820 0.178 0.000 1.902 274 A HA -0.174 4.145 4.320 -0.000 0.000 0.217 274 A C 1.568 179.209 177.584 0.096 0.000 1.181 274 A CA 0.906 53.016 52.037 0.122 0.000 0.623 274 A CB -0.883 18.153 19.000 0.060 0.000 0.818 274 A HN 0.440 nan 8.150 nan 0.000 0.443 278 Q N 0.021 119.897 119.800 0.127 0.000 2.124 278 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 278 Q C 1.872 177.942 176.000 0.118 0.000 0.977 278 Q CA 1.986 57.854 55.803 0.108 0.000 0.850 278 Q CB -0.073 28.700 28.738 0.058 0.000 0.901 278 Q HN 0.466 nan 8.270 nan 0.000 0.429 279 L N -0.588 120.673 121.223 0.062 0.000 2.027 279 L HA -0.169 4.171 4.340 -0.000 0.000 0.206 279 L C 1.786 178.635 176.870 -0.034 0.000 1.074 279 L CA 1.833 56.666 54.840 -0.011 0.000 0.745 279 L CB -0.672 41.305 42.059 -0.138 0.000 0.898 279 L HN 0.171 nan 8.230 nan 0.000 0.433 280 Y N 0.192 120.504 120.300 0.020 0.000 2.181 280 Y HA -0.235 4.315 4.550 -0.000 0.000 0.288 280 Y C 2.476 178.401 175.900 0.042 0.000 1.146 280 Y CA 1.731 59.837 58.100 0.010 0.000 1.164 280 Y CB -0.550 37.933 38.460 0.039 0.000 0.982 280 Y HN 0.286 nan 8.280 nan 0.000 0.515 281 D N -1.210 119.334 120.400 0.239 0.000 2.178 281 D HA -0.234 4.405 4.640 -0.000 0.000 0.201 281 D C 1.991 178.400 176.300 0.181 0.000 0.980 281 D CA 0.947 55.055 54.000 0.181 0.000 0.842 281 D CB -0.591 40.308 40.800 0.166 0.000 0.948 281 D HN 0.506 nan 8.370 nan 0.000 0.472 282 W N 1.535 122.841 121.300 0.009 0.000 2.441 282 W HA -0.089 4.571 4.660 -0.000 0.000 0.302 282 W C 1.550 178.056 176.519 -0.021 0.000 1.191 282 W CA 0.790 58.125 57.345 -0.015 0.000 1.327 282 W CB 0.159 29.592 29.460 -0.044 0.000 1.128 282 W HN -0.067 nan 8.180 nan 0.000 0.522 283 K N 0.005 120.342 120.400 -0.105 0.000 2.137 283 K HA -0.080 4.239 4.320 -0.000 0.000 0.202 283 K C 1.681 178.253 176.600 -0.047 0.000 1.052 283 K CA 0.843 57.006 56.287 -0.206 0.000 0.961 283 K CB -0.328 31.918 32.500 -0.424 0.000 0.741 283 K HN -0.059 nan 8.250 nan 0.000 0.452 284 N N 1.023 119.760 118.700 0.061 0.000 2.104 284 N HA -0.109 4.631 4.740 -0.000 0.000 0.190 284 N C -1.233 174.299 175.510 0.037 0.000 1.024 284 N CA 1.401 54.532 53.050 0.136 0.000 0.853 284 N CB -1.245 37.339 38.487 0.162 0.000 1.008 284 N HN 0.069 nan 8.380 nan 0.000 0.424 285 P HA -0.024 nan 4.420 nan 0.000 0.217 285 P C 1.296 178.536 177.300 -0.101 0.000 1.150 285 P CA 1.372 64.417 63.100 -0.092 0.000 0.832 285 P CB -0.067 31.545 31.700 -0.146 0.000 0.787 286 T N -0.616 113.853 114.554 -0.141 0.000 2.737 286 T HA -0.110 4.240 4.350 -0.000 0.000 0.265 286 T C 1.917 176.604 174.700 -0.022 0.000 1.038 286 T CA 1.635 63.670 62.100 -0.108 0.000 1.144 286 T CB -0.942 67.836 68.868 -0.150 0.000 0.866 286 T HN 0.036 nan 8.240 nan 0.000 0.434 287 A N 1.018 123.866 122.820 0.047 0.000 1.902 287 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 287 A C 2.256 179.887 177.584 0.079 0.000 1.181 287 A CA 1.167 53.264 52.037 0.100 0.000 0.623 287 A CB -0.742 18.390 19.000 0.221 0.000 0.818 287 A HN 0.415 nan 8.150 nan 0.000 0.443 288 I N -0.151 120.465 120.570 0.077 0.000 2.286 288 I HA -0.199 3.970 4.170 -0.000 0.000 0.248 288 I C 2.179 178.303 176.117 0.012 0.000 1.115 288 I CA 1.664 63.005 61.300 0.068 0.000 1.392 288 I CB -0.237 37.777 38.000 0.023 0.000 1.065 288 I HN 0.254 nan 8.210 nan 0.000 0.418 289 K N -0.517 119.870 120.400 -0.021 0.000 2.057 289 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 289 K C 2.370 178.941 176.600 -0.048 0.000 1.049 289 K CA 1.637 57.900 56.287 -0.040 0.000 0.931 289 K CB -0.436 32.033 32.500 -0.052 0.000 0.714 289 K HN 0.312 nan 8.250 nan 0.000 0.440 290 S N 0.765 116.436 115.700 -0.050 0.000 2.368 290 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 290 S C 1.894 176.403 174.600 -0.153 0.000 1.030 290 S CA 0.843 58.993 58.200 -0.083 0.000 0.999 290 S CB -0.112 63.048 63.200 -0.067 0.000 0.844 290 S HN 0.089 nan 8.310 nan 0.000 0.459 291 L N 1.626 122.771 121.223 -0.130 0.000 2.017 291 L HA -0.012 4.328 4.340 -0.000 0.000 0.208 291 L C 2.579 179.359 176.870 -0.150 0.000 1.073 291 L CA 1.481 56.199 54.840 -0.204 0.000 0.745 291 L CB -1.434 40.642 42.059 0.028 0.000 0.894 291 L HN 0.217 nan 8.230 nan 0.000 0.432 292 V N -0.274 119.610 119.914 -0.050 0.000 2.407 292 V HA -0.264 3.855 4.120 -0.000 0.000 0.248 292 V C 2.720 178.782 176.094 -0.052 0.000 1.055 292 V CA 1.387 63.669 62.300 -0.030 0.000 1.049 292 V CB -1.139 30.673 31.823 -0.018 0.000 0.662 292 V HN 0.504 nan 8.190 nan 0.000 0.455 293 A N -0.835 121.941 122.820 -0.072 0.000 1.972 293 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 293 A C 2.055 179.594 177.584 -0.075 0.000 1.169 293 A CA 1.629 53.627 52.037 -0.066 0.000 0.635 293 A CB -0.395 18.565 19.000 -0.065 0.000 0.810 293 A HN 0.633 nan 8.150 nan 0.000 0.446 294 Q N -1.762 117.951 119.800 -0.145 0.000 2.280 294 Q HA 0.310 4.649 4.340 -0.000 0.000 0.202 294 Q C 0.969 176.947 176.000 -0.036 0.000 0.903 294 Q CA 0.337 56.054 55.803 -0.143 0.000 0.948 294 Q CB 0.229 28.729 28.738 -0.395 0.000 1.058 294 Q HN 0.851 nan 8.270 nan 0.000 0.493 295 G N 0.185 108.972 108.800 -0.021 0.000 2.184 295 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.206 295 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.206 295 G C 0.302 175.233 174.900 0.053 0.000 0.995 295 G CA -0.096 45.025 45.100 0.034 0.000 0.651 295 G HN 0.302 nan 8.290 nan 0.000 0.511 296 T N 1.655 116.246 114.554 0.062 0.000 2.908 296 T HA 0.362 4.712 4.350 -0.000 0.000 0.301 296 T C 0.367 175.114 174.700 0.078 0.000 1.019 296 T CA 0.674 62.859 62.100 0.142 0.000 1.152 296 T CB 0.990 69.983 68.868 0.207 0.000 0.966 296 T HN 0.384 nan 8.240 nan 0.000 0.540 297 Q N 2.769 122.598 119.800 0.049 0.000 2.400 297 Q HA 0.366 4.705 4.340 -0.000 0.000 0.255 297 Q C -0.429 175.605 176.000 0.057 0.000 1.008 297 Q CA -0.409 55.411 55.803 0.029 0.000 0.841 297 Q CB 0.886 29.605 28.738 -0.033 0.000 1.220 297 Q HN 0.574 nan 8.270 nan 0.000 0.474 298 L N 3.206 124.451 121.223 0.036 0.000 2.416 298 L HA 0.337 4.677 4.340 -0.000 0.000 0.272 298 L C 0.176 176.995 176.870 -0.085 0.000 1.161 298 L CA 0.011 54.856 54.840 0.009 0.000 0.845 298 L CB 0.291 42.368 42.059 0.031 0.000 1.119 298 L HN 0.367 nan 8.230 nan 0.000 0.464 299 R N 3.554 123.830 120.500 -0.374 0.000 2.533 299 R HA 0.411 4.751 4.340 -0.000 0.000 0.288 299 R C -2.685 172.924 176.300 -1.152 0.000 1.039 299 R CA -2.002 53.650 56.100 -0.747 0.000 0.909 299 R CB 2.164 31.682 30.300 -1.303 0.000 1.195 299 R HN 0.259 nan 8.270 nan 0.000 0.438 300 P HA 0.189 nan 4.420 nan 0.000 0.279 300 P C -0.377 176.637 177.300 -0.476 0.000 1.239 300 P CA -0.417 61.987 63.100 -1.160 0.000 0.789 300 P CB 0.396 31.707 31.700 -0.649 0.000 0.933 301 F N 1.027 120.874 119.950 -0.171 0.000 2.578 301 F HA 0.010 4.537 4.527 -0.000 0.000 0.376 301 F C 1.848 177.622 175.800 -0.043 0.000 1.085 301 F CA 0.508 58.516 58.000 0.013 0.000 1.260 301 F CB -0.411 38.643 39.000 0.089 0.000 1.095 301 F HN 0.273 nan 8.300 nan 0.000 0.573 302 S N 4.136 119.942 115.700 0.176 0.000 2.569 302 S HA 0.086 4.556 4.470 -0.000 0.000 0.274 302 S C -1.778 172.849 174.600 0.046 0.000 1.353 302 S CA -1.018 57.221 58.200 0.066 0.000 1.023 302 S CB 0.757 63.983 63.200 0.043 0.000 0.876 302 S HN 0.412 nan 8.310 nan 0.000 0.540 303 P HA -0.151 nan 4.420 nan 0.000 0.216 303 P C 1.506 178.782 177.300 -0.040 0.000 1.150 303 P CA 1.562 64.648 63.100 -0.023 0.000 0.843 303 P CB 0.001 31.680 31.700 -0.035 0.000 0.787 304 E N -0.156 120.026 120.200 -0.030 0.000 2.051 304 E HA -0.181 4.168 4.350 -0.000 0.000 0.192 304 E C 1.927 178.495 176.600 -0.054 0.000 0.991 304 E CA 1.162 57.538 56.400 -0.040 0.000 0.799 304 E CB -0.584 29.100 29.700 -0.027 0.000 0.748 304 E HN 0.141 nan 8.360 nan 0.000 0.449 305 I N 0.865 121.413 120.570 -0.036 0.000 2.179 305 I HA -0.286 3.884 4.170 -0.000 0.000 0.242 305 I C 2.547 178.578 176.117 -0.144 0.000 1.088 305 I CA 0.919 62.176 61.300 -0.070 0.000 1.357 305 I CB -0.238 37.751 38.000 -0.019 0.000 1.051 305 I HN 0.232 nan 8.210 nan 0.000 0.409 306 L N -0.057 121.108 121.223 -0.097 0.000 2.042 306 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 306 L C 2.761 179.518 176.870 -0.188 0.000 1.076 306 L CA 1.231 55.992 54.840 -0.133 0.000 0.749 306 L CB -0.664 41.394 42.059 -0.001 0.000 0.893 306 L HN 0.337 nan 8.230 nan 0.000 0.432 307 Q N -0.278 119.428 119.800 -0.156 0.000 2.084 307 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 307 Q C 2.414 178.343 176.000 -0.118 0.000 0.978 307 Q CA 1.764 57.475 55.803 -0.154 0.000 0.844 307 Q CB -0.343 28.321 28.738 -0.123 0.000 0.898 307 Q HN 0.545 nan 8.270 nan 0.000 0.426 308 A N 0.135 122.878 122.820 -0.129 0.000 1.902 308 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 308 A C 2.555 180.032 177.584 -0.179 0.000 1.181 308 A CA 1.472 53.435 52.037 -0.124 0.000 0.623 308 A CB -0.915 18.023 19.000 -0.103 0.000 0.818 308 A HN 0.468 nan 8.150 nan 0.000 0.443 309 C N -2.018 117.114 119.300 -0.281 0.000 2.429 309 C HA -0.064 4.396 4.460 -0.000 0.000 0.277 309 C C 2.392 177.183 174.990 -0.332 0.000 1.262 309 C CA 0.874 59.633 59.018 -0.432 0.000 1.733 309 C CB -1.684 25.437 27.740 -1.032 0.000 2.010 309 C HN 0.675 nan 8.230 nan 0.000 0.483 310 F N 2.240 121.784 119.950 -0.677 0.000 2.069 310 F HA -0.171 4.355 4.527 -0.000 0.000 0.298 310 F C 2.454 178.002 175.800 -0.420 0.000 1.113 310 F CA 1.973 59.385 58.000 -0.981 0.000 1.214 310 F CB -0.366 38.012 39.000 -1.038 0.000 0.978 310 F HN 0.184 nan 8.300 nan 0.000 0.474 311 E N 0.485 120.555 120.200 -0.217 0.000 2.106 311 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 311 E C 2.410 178.890 176.600 -0.199 0.000 0.984 311 E CA 1.122 57.408 56.400 -0.191 0.000 0.806 311 E CB -0.881 28.779 29.700 -0.067 0.000 0.750 311 E HN 0.503 nan 8.360 nan 0.000 0.458 312 A N 1.598 124.312 122.820 -0.177 0.000 1.902 312 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 312 A C 2.446 179.925 177.584 -0.175 0.000 1.181 312 A CA 2.025 53.977 52.037 -0.143 0.000 0.623 312 A CB -0.597 18.335 19.000 -0.114 0.000 0.818 312 A HN 0.265 nan 8.150 nan 0.000 0.443 313 A N 0.376 123.073 122.820 -0.205 0.000 1.883 313 A HA -0.226 4.093 4.320 -0.000 0.000 0.217 313 A C 1.904 179.240 177.584 -0.413 0.000 1.186 313 A CA 1.919 53.783 52.037 -0.289 0.000 0.624 313 A CB -0.696 18.277 19.000 -0.045 0.000 0.822 313 A HN 0.533 nan 8.150 nan 0.000 0.444 314 N N -0.300 118.231 118.700 -0.282 0.000 2.223 314 N HA -0.155 4.585 4.740 -0.000 0.000 0.185 314 N C 1.658 177.152 175.510 -0.026 0.000 1.016 314 N CA 1.444 54.445 53.050 -0.081 0.000 0.863 314 N CB -0.373 37.994 38.487 -0.200 0.000 0.983 314 N HN 0.748 nan 8.380 nan 0.000 0.429 315 E N 0.361 120.504 120.200 -0.096 0.000 2.031 315 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 315 E C 1.807 178.369 176.600 -0.065 0.000 0.994 315 E CA 1.002 57.365 56.400 -0.063 0.000 0.800 315 E CB 0.127 29.779 29.700 -0.080 0.000 0.752 315 E HN 0.002 nan 8.360 nan 0.000 0.447 316 V N 0.551 120.379 119.914 -0.143 0.000 2.287 316 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 316 V C 2.105 178.152 176.094 -0.078 0.000 1.053 316 V CA 1.953 64.154 62.300 -0.165 0.000 1.027 316 V CB -0.731 30.939 31.823 -0.255 0.000 0.646 316 V HN 0.356 nan 8.190 nan 0.000 0.447 317 Y N 0.700 121.027 120.300 0.045 0.000 2.181 317 Y HA -0.163 4.386 4.550 -0.000 0.000 0.288 317 Y C 2.553 178.526 175.900 0.122 0.000 1.146 317 Y CA 0.893 59.055 58.100 0.103 0.000 1.164 317 Y CB -1.431 37.150 38.460 0.202 0.000 0.982 317 Y HN 0.201 nan 8.280 nan 0.000 0.515 318 A N 0.103 123.069 122.820 0.243 0.000 1.908 318 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 318 A C 1.369 179.009 177.584 0.093 0.000 1.181 318 A CA 0.914 53.049 52.037 0.163 0.000 0.627 318 A CB -0.736 18.326 19.000 0.104 0.000 0.818 318 A HN 0.465 nan 8.150 nan 0.000 0.445 322 A N 1.275 124.155 122.820 0.101 0.000 2.066 322 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 322 A C 2.021 179.640 177.584 0.059 0.000 1.157 322 A CA 1.831 53.912 52.037 0.074 0.000 0.670 322 A CB -0.113 18.918 19.000 0.052 0.000 0.804 322 A HN 0.224 nan 8.150 nan 0.000 0.453 323 S N -2.142 113.587 115.700 0.048 0.000 2.632 323 S HA 0.186 4.656 4.470 -0.000 0.000 0.237 323 S C 0.093 174.727 174.600 0.056 0.000 1.037 323 S CA -0.128 58.094 58.200 0.037 0.000 1.009 323 S CB -0.004 63.200 63.200 0.007 0.000 0.974 323 S HN 0.317 nan 8.310 nan 0.000 0.544 324 N N 1.850 120.601 118.700 0.086 0.000 2.664 324 N HA 0.434 5.174 4.740 -0.000 0.000 0.257 324 N C -2.682 172.949 175.510 0.201 0.000 1.108 324 N CA -1.883 51.247 53.050 0.134 0.000 0.822 324 N CB 1.833 40.391 38.487 0.117 0.000 1.199 324 N HN -0.102 nan 8.380 nan 0.000 0.529 325 P HA -0.080 nan 4.420 nan 0.000 0.216 325 P C 1.025 178.434 177.300 0.183 0.000 1.150 325 P CA 1.217 64.415 63.100 0.162 0.000 0.837 325 P CB 0.382 32.157 31.700 0.125 0.000 0.786 326 A N -1.288 121.649 122.820 0.196 0.000 1.902 326 A HA -0.200 4.119 4.320 -0.000 0.000 0.217 326 A C 2.121 179.784 177.584 0.131 0.000 1.181 326 A CA 1.329 53.472 52.037 0.178 0.000 0.623 326 A CB -1.781 17.365 19.000 0.243 0.000 0.818 326 A HN 0.139 nan 8.150 nan 0.000 0.443 327 F N 0.705 120.675 119.950 0.035 0.000 2.075 327 F HA -0.177 4.350 4.527 -0.000 0.000 0.297 327 F C 2.254 178.130 175.800 0.127 0.000 1.113 327 F CA 2.349 60.379 58.000 0.050 0.000 1.218 327 F CB -0.214 38.840 39.000 0.089 0.000 0.984 327 F HN 0.218 nan 8.300 nan 0.000 0.472 328 K N 0.565 121.209 120.400 0.407 0.000 2.063 328 K HA -0.287 4.033 4.320 -0.000 0.000 0.208 328 K C 2.354 179.051 176.600 0.161 0.000 1.048 328 K CA 1.933 58.405 56.287 0.308 0.000 0.928 328 K CB -0.322 32.331 32.500 0.255 0.000 0.713 328 K HN 0.262 nan 8.250 nan 0.000 0.442 329 K N 0.557 121.035 120.400 0.130 0.000 2.032 329 K HA -0.155 4.165 4.320 -0.000 0.000 0.209 329 K C 2.052 178.706 176.600 0.089 0.000 1.048 329 K CA 1.905 58.254 56.287 0.102 0.000 0.927 329 K CB -0.107 32.459 32.500 0.110 0.000 0.712 329 K HN 0.197 nan 8.250 nan 0.000 0.441 330 I N -0.415 120.190 120.570 0.059 0.000 2.286 330 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 330 I C 2.350 178.466 176.117 -0.003 0.000 1.104 330 I CA 0.878 62.225 61.300 0.079 0.000 1.397 330 I CB -0.385 37.642 38.000 0.045 0.000 1.072 330 I HN 0.477 nan 8.210 nan 0.000 0.417 331 W N 2.561 123.640 121.300 -0.368 0.000 2.358 331 W HA -0.242 4.418 4.660 -0.000 0.000 0.303 331 W C 1.921 178.292 176.519 -0.246 0.000 1.208 331 W CA 1.267 58.348 57.345 -0.440 0.000 1.274 331 W CB -0.031 29.075 29.460 -0.589 0.000 1.138 331 W HN 0.180 nan 8.180 nan 0.000 0.515 332 D N -0.211 120.090 120.400 -0.165 0.000 2.123 332 D HA -0.202 4.437 4.640 -0.000 0.000 0.196 332 D C 2.299 178.493 176.300 -0.176 0.000 0.992 332 D CA 1.846 55.722 54.000 -0.206 0.000 0.833 332 D CB -0.729 40.044 40.800 -0.045 0.000 0.954 332 D HN 0.058 nan 8.370 nan 0.000 0.455 333 S N -0.339 115.332 115.700 -0.049 0.000 2.356 333 S HA -0.103 4.366 4.470 -0.000 0.000 0.223 333 S C 2.133 176.703 174.600 -0.050 0.000 1.032 333 S CA 0.707 58.967 58.200 0.099 0.000 1.005 333 S CB -0.285 63.126 63.200 0.352 0.000 0.867 333 S HN 0.185 nan 8.310 nan 0.000 0.449 334 I N 1.194 121.513 120.570 -0.418 0.000 2.163 334 I HA -0.206 3.964 4.170 -0.000 0.000 0.243 334 I C 2.621 178.412 176.117 -0.542 0.000 1.085 334 I CA 1.391 62.215 61.300 -0.793 0.000 1.347 334 I CB -0.331 37.164 38.000 -0.842 0.000 1.044 334 I HN 0.286 nan 8.210 nan 0.000 0.408 335 K N 0.773 120.747 120.400 -0.709 0.000 2.097 335 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 335 K C 2.247 178.679 176.600 -0.279 0.000 1.049 335 K CA 1.442 57.349 56.287 -0.633 0.000 0.933 335 K CB -0.233 31.765 32.500 -0.838 0.000 0.717 335 K HN 0.334 nan 8.250 nan 0.000 0.442 336 A N 0.872 123.591 122.820 -0.168 0.000 1.902 336 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 336 A C 1.936 179.565 177.584 0.075 0.000 1.181 336 A CA 1.193 53.216 52.037 -0.024 0.000 0.623 336 A CB -0.528 18.491 19.000 0.032 0.000 0.818 336 A HN 0.337 nan 8.150 nan 0.000 0.443 337 F N 0.267 120.183 119.950 -0.056 0.000 2.234 337 F HA 0.047 4.573 4.527 -0.000 0.000 0.296 337 F C 2.204 178.004 175.800 -0.001 0.000 1.089 337 F CA 1.140 59.145 58.000 0.008 0.000 1.343 337 F CB -0.385 38.661 39.000 0.076 0.000 1.040 337 F HN 0.198 nan 8.300 nan 0.000 0.498 338 R N 0.334 120.732 120.500 -0.170 0.000 2.113 338 R HA -0.225 4.115 4.340 -0.000 0.000 0.244 338 R C 2.465 178.727 176.300 -0.064 0.000 1.142 338 R CA 2.321 58.331 56.100 -0.149 0.000 0.953 338 R CB -0.548 29.706 30.300 -0.077 0.000 0.860 338 R HN 0.472 nan 8.270 nan 0.000 0.438 339 S N -0.113 115.552 115.700 -0.059 0.000 2.383 339 S HA -0.115 4.355 4.470 -0.000 0.000 0.227 339 S C 1.724 176.298 174.600 -0.043 0.000 1.026 339 S CA 1.087 59.282 58.200 -0.008 0.000 0.981 339 S CB -0.211 62.982 63.200 -0.012 0.000 0.818 339 S HN 0.448 nan 8.310 nan 0.000 0.472 340 E N 0.622 120.756 120.200 -0.110 0.000 2.047 340 E HA -0.191 4.158 4.350 -0.000 0.000 0.191 340 E C 2.070 178.557 176.600 -0.189 0.000 0.987 340 E CA 1.380 57.721 56.400 -0.098 0.000 0.799 340 E CB -0.345 29.343 29.700 -0.019 0.000 0.752 340 E HN 0.779 nan 8.360 nan 0.000 0.449 341 H N -0.042 118.636 119.070 -0.655 0.000 2.319 341 H HA -0.184 4.372 4.556 -0.000 0.000 0.299 341 H C 1.460 176.560 175.328 -0.380 0.000 1.092 341 H CA 1.790 57.437 56.048 -0.668 0.000 1.302 341 H CB -0.223 28.865 29.762 -1.123 0.000 1.373 341 H HN 0.133 nan 8.280 nan 0.000 0.497 342 Y N -0.121 120.057 120.300 -0.204 0.000 2.616 342 Y HA -0.035 4.515 4.550 -0.000 0.000 0.296 342 Y C 2.506 178.304 175.900 -0.170 0.000 1.154 342 Y CA 1.141 59.122 58.100 -0.198 0.000 1.325 342 Y CB -0.233 38.173 38.460 -0.089 0.000 1.007 342 Y HN 0.292 nan 8.280 nan 0.000 0.542 343 T N -0.748 113.805 114.554 -0.002 0.000 2.735 343 T HA -0.187 4.163 4.350 -0.000 0.000 0.256 343 T C 1.803 176.529 174.700 0.043 0.000 1.042 343 T CA 1.209 63.320 62.100 0.018 0.000 1.147 343 T CB -0.546 68.347 68.868 0.041 0.000 0.865 343 T HN 0.654 nan 8.240 nan 0.000 0.421 344 W N 2.220 123.434 121.300 -0.143 0.000 2.358 344 W HA -0.092 4.568 4.660 -0.000 0.000 0.303 344 W C 2.323 178.761 176.519 -0.134 0.000 1.208 344 W CA 0.981 58.255 57.345 -0.118 0.000 1.274 344 W CB -0.310 29.092 29.460 -0.096 0.000 1.138 344 W HN 0.279 nan 8.180 nan 0.000 0.515 345 A N 1.500 124.023 122.820 -0.496 0.000 2.024 345 A HA -0.302 4.018 4.320 -0.000 0.000 0.220 345 A C 1.934 179.310 177.584 -0.346 0.000 1.164 345 A CA 1.949 53.643 52.037 -0.573 0.000 0.643 345 A CB -0.989 17.670 19.000 -0.569 0.000 0.806 345 A HN 0.723 nan 8.150 nan 0.000 0.451 346 Q N -0.746 118.895 119.800 -0.266 0.000 2.444 346 Q HA 0.175 4.514 4.340 -0.000 0.000 0.206 346 Q C 1.268 177.191 176.000 -0.128 0.000 0.948 346 Q CA 0.415 56.085 55.803 -0.222 0.000 0.946 346 Q CB -0.299 28.258 28.738 -0.303 0.000 1.027 346 Q HN 0.684 nan 8.270 nan 0.000 0.513 347 I N 0.984 121.405 120.570 -0.249 0.000 4.236 347 I HA 0.029 4.199 4.170 -0.000 0.000 0.224 347 I C 2.251 178.231 176.117 -0.228 0.000 0.995 347 I CA 0.454 61.632 61.300 -0.204 0.000 1.505 347 I CB -0.606 37.303 38.000 -0.152 0.000 1.378 347 I HN 0.197 nan 8.210 nan 0.000 0.438 348 A N 0.535 123.090 122.820 -0.441 0.000 1.858 348 A HA -0.171 4.148 4.320 -0.000 0.000 0.216 348 A C 2.188 179.676 177.584 -0.160 0.000 1.190 348 A CA 1.569 53.457 52.037 -0.249 0.000 0.617 348 A CB -0.698 18.165 19.000 -0.227 0.000 0.827 348 A HN 0.533 nan 8.150 nan 0.000 0.443 349 E N -1.200 118.825 120.200 -0.292 0.000 2.031 349 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 349 E C 1.928 178.542 176.600 0.024 0.000 0.994 349 E CA 1.581 57.914 56.400 -0.112 0.000 0.800 349 E CB -0.611 28.992 29.700 -0.162 0.000 0.752 349 E HN 0.756 nan 8.360 nan 0.000 0.447 350 Y N 2.380 122.607 120.300 -0.121 0.000 2.181 350 Y HA -0.162 4.388 4.550 -0.000 0.000 0.288 350 Y C 2.017 177.914 175.900 -0.006 0.000 1.146 350 Y CA 1.572 59.640 58.100 -0.053 0.000 1.164 350 Y CB -0.192 38.222 38.460 -0.077 0.000 0.982 350 Y HN 0.048 nan 8.280 nan 0.000 0.515 351 N N -1.234 117.513 118.700 0.078 0.000 2.142 351 N HA -0.233 4.506 4.740 -0.000 0.000 0.186 351 N C 1.724 177.251 175.510 0.029 0.000 1.023 351 N CA 1.406 54.478 53.050 0.036 0.000 0.852 351 N CB -0.585 37.936 38.487 0.057 0.000 0.998 351 N HN 0.413 nan 8.380 nan 0.000 0.424 352 Y N 2.501 122.775 120.300 -0.043 0.000 2.089 352 Y HA -0.217 4.333 4.550 -0.000 0.000 0.282 352 Y C 1.999 177.904 175.900 0.007 0.000 1.139 352 Y CA 1.717 59.811 58.100 -0.010 0.000 1.123 352 Y CB -0.310 38.139 38.460 -0.019 0.000 0.980 352 Y HN -0.024 nan 8.280 nan 0.000 0.493 353 D N -0.916 119.536 120.400 0.086 0.000 2.117 353 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 353 D C 2.147 178.346 176.300 -0.168 0.000 0.987 353 D CA 1.948 55.931 54.000 -0.029 0.000 0.829 353 D CB -0.539 40.259 40.800 -0.003 0.000 0.961 353 D HN 0.382 nan 8.370 nan 0.000 0.460 354 T N 0.792 115.188 114.554 -0.263 0.000 2.684 354 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 354 T C 1.056 175.659 174.700 -0.162 0.000 1.036 354 T CA 0.401 62.329 62.100 -0.287 0.000 1.148 354 T CB -0.395 68.230 68.868 -0.405 0.000 0.863 354 T HN 0.100 nan 8.240 nan 0.000 0.436 359 Q N 0.674 120.213 119.800 -0.436 0.000 2.084 359 Q HA -0.246 4.094 4.340 -0.000 0.000 0.202 359 Q C 1.998 177.869 176.000 -0.216 0.000 0.978 359 Q CA 2.394 57.979 55.803 -0.363 0.000 0.844 359 Q CB -0.293 28.180 28.738 -0.442 0.000 0.898 359 Q HN 0.714 nan 8.270 nan 0.000 0.426 360 Q N 1.252 120.938 119.800 -0.189 0.000 2.061 360 Q HA -0.126 4.214 4.340 -0.000 0.000 0.204 360 Q C 1.479 177.410 176.000 -0.114 0.000 0.984 360 Q CA 1.653 57.378 55.803 -0.130 0.000 0.846 360 Q CB -0.245 28.424 28.738 -0.115 0.000 0.902 360 Q HN 0.290 nan 8.270 nan 0.000 0.421 361 N N -0.284 118.341 118.700 -0.124 0.000 2.309 361 N HA -0.034 4.706 4.740 -0.000 0.000 0.182 361 N C 0.963 176.418 175.510 -0.093 0.000 1.018 361 N CA 1.193 54.183 53.050 -0.101 0.000 0.876 361 N CB -0.316 38.111 38.487 -0.100 0.000 0.972 361 N HN 0.399 nan 8.380 nan 0.000 0.434 362 A N -0.198 122.556 122.820 -0.111 0.000 2.238 362 A HA 0.399 4.719 4.320 -0.000 0.000 0.208 362 A C 1.449 178.986 177.584 -0.079 0.000 1.177 362 A CA 0.694 52.674 52.037 -0.095 0.000 0.804 362 A CB -0.395 18.536 19.000 -0.115 0.000 0.823 362 A HN 0.273 nan 8.150 nan 0.000 0.482 363 G N -0.248 108.504 108.800 -0.080 0.000 2.147 363 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.244 363 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.244 363 G C 0.680 175.543 174.900 -0.062 0.000 1.005 363 G CA 0.712 45.774 45.100 -0.064 0.000 0.713 363 G HN 0.558 nan 8.290 nan 0.000 0.515 364 K N -0.798 119.553 120.400 -0.081 0.000 2.374 364 K HA 0.363 4.683 4.320 -0.000 0.000 0.196 364 K C 1.329 177.891 176.600 -0.062 0.000 1.023 364 K CA 0.006 56.250 56.287 -0.072 0.000 1.103 364 K CB 0.437 32.880 32.500 -0.094 0.000 0.848 364 K HN 0.424 nan 8.250 nan 0.000 0.528 365 L N 0.000 121.183 121.223 -0.066 0.000 2.949 365 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 365 L CA 0.000 54.811 54.840 -0.048 0.000 0.813 365 L CB 0.000 42.024 42.059 -0.059 0.000 0.961 365 L HN 0.000 nan 8.230 nan 0.000 0.502