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 1oik_1_A DATA FIRST_RESID 13 DATA SEQUENCE LELDVHPVAG RIGAEIRGVK LSPDLDAATV EAIQAALVRH KVIFFRGQTH DATA SEQUENCE LDDQSQEGFA KLLGEPVAHX XXXXXXXXXX XXXXXXXXXX RANSWHTDVT DATA SEQUENCE FVEAYPKASI LRSVVAPASG GDTVWANTAA AYQELPEPLR ELADKLWAVH DATA SEQUENCE SNRXXXXXXX XXXXXXXXXX XXXXXXXXXY ETEHPVVRVH PISGERALQL DATA SEQUENCE GHFVKRIKGY SLADSQHLFA VLQGHVTRLE NTVRWRWEAG DVAIWDNRAT DATA SEQUENCE QHYAVDDYGT QPRIVRRVTL AGEVPVGVDG QLSRTTR 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 13 L HA 0.000 nan 4.340 nan 0.000 0.249 13 L C 0.000 176.878 176.870 0.014 0.000 1.165 13 L CA 0.000 54.850 54.840 0.016 0.000 0.813 13 L CB 0.000 42.074 42.059 0.025 0.000 0.961 14 E N 1.808 122.015 120.200 0.012 0.000 2.055 14 E HA 0.718 5.068 4.350 -0.000 0.000 0.274 14 E C -0.516 176.091 176.600 0.011 0.000 0.949 14 E CA -0.453 55.951 56.400 0.007 0.000 0.775 14 E CB 1.010 30.710 29.700 0.001 0.000 1.097 14 E HN 1.011 nan 8.360 nan 0.000 0.404 15 L N 1.349 122.581 121.223 0.014 0.000 2.439 15 L HA 0.301 4.641 4.340 -0.000 0.000 0.261 15 L C 0.370 177.235 176.870 -0.008 0.000 1.153 15 L CA -0.869 53.984 54.840 0.021 0.000 0.808 15 L CB 1.381 43.462 42.059 0.037 0.000 1.126 15 L HN 0.577 nan 8.230 nan 0.000 0.460 16 D N 1.644 122.049 120.400 0.009 0.000 2.435 16 D HA 0.244 4.884 4.640 -0.000 0.000 0.230 16 D C -0.904 175.368 176.300 -0.048 0.000 1.215 16 D CA -0.021 53.975 54.000 -0.006 0.000 0.947 16 D CB 0.459 41.313 40.800 0.091 0.000 1.048 16 D HN 0.019 nan 8.370 nan 0.000 0.512 17 V N 5.407 125.198 119.914 -0.206 0.000 2.417 17 V HA 0.282 4.402 4.120 -0.000 0.000 0.291 17 V C -0.164 175.680 176.094 -0.418 0.000 1.024 17 V CA -0.764 61.405 62.300 -0.217 0.000 0.861 17 V CB 1.716 33.447 31.823 -0.153 0.000 0.985 17 V HN 0.497 nan 8.190 nan 0.000 0.436 18 H N 4.535 123.528 119.070 -0.128 0.000 2.792 18 H HA 0.319 4.875 4.556 -0.000 0.000 0.298 18 H C -2.656 172.597 175.328 -0.126 0.000 1.042 18 H CA -1.914 54.078 56.048 -0.093 0.000 1.300 18 H CB 1.988 31.722 29.762 -0.047 0.000 1.431 18 H HN 0.415 nan 8.280 nan 0.000 0.496 19 P HA -0.082 nan 4.420 nan 0.000 0.265 19 P C 0.963 178.273 177.300 0.018 0.000 1.193 19 P CA 0.124 63.163 63.100 -0.102 0.000 0.765 19 P CB 1.452 33.115 31.700 -0.061 0.000 0.823 20 V N 2.507 122.453 119.914 0.054 0.000 2.403 20 V HA 0.129 4.249 4.120 -0.000 0.000 0.239 20 V C 1.055 177.199 176.094 0.084 0.000 1.041 20 V CA 1.799 64.160 62.300 0.101 0.000 1.051 20 V CB -0.811 31.122 31.823 0.184 0.000 0.704 20 V HN 0.596 nan 8.190 nan 0.000 0.472 21 A N -0.332 122.548 122.820 0.100 0.000 2.309 21 A HA 0.680 5.000 4.320 -0.000 0.000 0.317 21 A C 1.355 178.985 177.584 0.077 0.000 1.134 21 A CA 0.228 52.316 52.037 0.086 0.000 0.866 21 A CB 0.824 19.889 19.000 0.109 0.000 1.329 21 A HN 0.320 nan 8.150 nan 0.000 0.477 22 G N -0.992 107.846 108.800 0.065 0.000 2.448 22 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.218 22 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.218 22 G C 1.146 176.086 174.900 0.067 0.000 1.135 22 G CA 0.706 45.840 45.100 0.057 0.000 0.784 22 G HN 0.650 nan 8.290 nan 0.000 0.543 23 R N -1.221 119.324 120.500 0.076 0.000 2.509 23 R HA 0.533 4.873 4.340 -0.000 0.000 0.297 23 R C -0.305 176.052 176.300 0.094 0.000 0.951 23 R CA -0.123 56.021 56.100 0.073 0.000 1.103 23 R CB 0.883 31.217 30.300 0.056 0.000 1.283 23 R HN 0.364 nan 8.270 nan 0.000 0.534 24 I N -1.091 119.551 120.570 0.119 0.000 2.828 24 I HA 0.503 4.673 4.170 -0.000 0.000 0.295 24 I C -1.747 174.454 176.117 0.140 0.000 1.459 24 I CA -0.268 61.113 61.300 0.134 0.000 1.015 24 I CB 2.254 40.340 38.000 0.143 0.000 1.345 24 I HN 0.215 nan 8.210 nan 0.000 0.449 25 G N 4.604 113.464 108.800 0.099 0.000 3.209 25 G HA2 0.511 4.471 3.960 -0.000 0.000 0.686 25 G HA3 0.511 4.471 3.960 -0.000 0.000 0.686 25 G C -1.191 173.699 174.900 -0.016 0.000 1.065 25 G CA -0.241 44.904 45.100 0.074 0.000 0.812 25 G HN 1.572 nan 8.290 nan 0.000 0.573 26 A N 1.902 124.632 122.820 -0.149 0.000 2.488 26 A HA 0.831 5.151 4.320 -0.000 0.000 0.298 26 A C -0.209 177.286 177.584 -0.149 0.000 1.044 26 A CA -0.026 51.862 52.037 -0.250 0.000 0.693 26 A CB 1.756 20.315 19.000 -0.736 0.000 1.272 26 A HN 1.138 nan 8.150 nan 0.000 0.402 27 E N 2.265 122.444 120.200 -0.036 0.000 2.283 27 E HA 0.500 4.850 4.350 -0.000 0.000 0.278 27 E C -1.042 175.467 176.600 -0.151 0.000 1.027 27 E CA -0.327 56.027 56.400 -0.076 0.000 0.843 27 E CB 0.636 30.380 29.700 0.073 0.000 1.062 27 E HN 0.566 nan 8.360 nan 0.000 0.401 28 I N 5.176 125.529 120.570 -0.361 0.000 2.330 28 I HA 0.312 4.482 4.170 -0.000 0.000 0.289 28 I C 0.341 176.397 176.117 -0.102 0.000 1.001 28 I CA -0.523 60.602 61.300 -0.292 0.000 1.193 28 I CB 1.226 38.880 38.000 -0.577 0.000 1.345 28 I HN 0.427 nan 8.210 nan 0.000 0.461 29 R N 3.148 123.680 120.500 0.055 0.000 2.607 29 R HA 0.588 4.928 4.340 -0.000 0.000 0.261 29 R C 0.889 177.255 176.300 0.109 0.000 1.051 29 R CA -0.199 55.958 56.100 0.094 0.000 1.110 29 R CB 1.002 31.360 30.300 0.096 0.000 1.158 29 R HN 0.855 nan 8.270 nan 0.000 0.543 30 G N -0.244 108.617 108.800 0.101 0.000 2.153 30 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.252 30 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.252 30 G C -0.392 174.561 174.900 0.090 0.000 0.994 30 G CA 0.171 45.320 45.100 0.082 0.000 0.698 30 G HN 0.315 nan 8.290 nan 0.000 0.521 31 V N 0.313 120.308 119.914 0.133 0.000 2.588 31 V HA 0.620 4.740 4.120 -0.000 0.000 0.304 31 V C 0.191 176.335 176.094 0.082 0.000 1.042 31 V CA -0.716 61.657 62.300 0.121 0.000 0.877 31 V CB 2.059 34.011 31.823 0.215 0.000 0.996 31 V HN 0.429 nan 8.190 nan 0.000 0.425 32 K N 5.656 126.049 120.400 -0.012 0.000 2.293 32 K HA 0.612 4.932 4.320 -0.000 0.000 0.267 32 K C -0.904 175.620 176.600 -0.126 0.000 1.010 32 K CA -0.601 55.643 56.287 -0.071 0.000 0.875 32 K CB 1.066 33.441 32.500 -0.209 0.000 1.106 32 K HN 0.635 nan 8.250 nan 0.000 0.450 33 L N 3.221 124.336 121.223 -0.180 0.000 2.439 33 L HA 0.216 4.556 4.340 -0.000 0.000 0.269 33 L C 0.209 176.988 176.870 -0.150 0.000 1.179 33 L CA 0.150 54.718 54.840 -0.454 0.000 0.828 33 L CB 0.998 42.427 42.059 -1.050 0.000 1.106 33 L HN 0.974 nan 8.230 nan 0.000 0.467 34 S N 0.941 116.605 115.700 -0.060 0.000 2.627 34 S HA 0.340 4.810 4.470 -0.000 0.000 0.268 34 S C -2.683 172.033 174.600 0.193 0.000 1.130 34 S CA -0.985 57.265 58.200 0.083 0.000 0.819 34 S CB 1.623 64.843 63.200 0.033 0.000 1.100 34 S HN 0.301 nan 8.310 nan 0.000 0.465 35 P HA 0.204 nan 4.420 nan 0.000 0.242 35 P C -0.263 177.077 177.300 0.066 0.000 1.197 35 P CA 0.688 63.852 63.100 0.107 0.000 0.765 35 P CB -0.142 31.599 31.700 0.068 0.000 0.936 36 D N -1.103 119.335 120.400 0.064 0.000 2.538 36 D HA 0.139 4.779 4.640 -0.000 0.000 0.231 36 D C 0.417 176.739 176.300 0.037 0.000 1.229 36 D CA -0.052 53.970 54.000 0.036 0.000 0.828 36 D CB 0.463 41.275 40.800 0.020 0.000 1.035 36 D HN 0.210 nan 8.370 nan 0.000 0.495 37 L N 1.821 123.082 121.223 0.063 0.000 2.426 37 L HA 0.076 4.416 4.340 -0.000 0.000 0.271 37 L C 0.762 177.653 176.870 0.035 0.000 1.169 37 L CA -0.461 54.415 54.840 0.059 0.000 0.836 37 L CB 0.531 42.658 42.059 0.112 0.000 1.112 37 L HN 0.007 nan 8.230 nan 0.000 0.465 38 D N 1.536 121.953 120.400 0.027 0.000 2.358 38 D HA 0.196 4.836 4.640 -0.000 0.000 0.244 38 D C 0.876 177.183 176.300 0.013 0.000 1.163 38 D CA -0.062 53.947 54.000 0.016 0.000 0.945 38 D CB 1.079 41.886 40.800 0.013 0.000 1.152 38 D HN 0.524 nan 8.370 nan 0.000 0.451 39 A N 1.269 124.091 122.820 0.003 0.000 1.978 39 A HA -0.034 4.286 4.320 -0.000 0.000 0.220 39 A C 2.168 179.754 177.584 0.003 0.000 1.170 39 A CA 2.098 54.133 52.037 -0.003 0.000 0.636 39 A CB -1.267 17.729 19.000 -0.008 0.000 0.810 39 A HN 0.723 nan 8.150 nan 0.000 0.448 40 A N -1.222 121.603 122.820 0.009 0.000 1.929 40 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 40 A C 2.291 179.890 177.584 0.025 0.000 1.176 40 A CA 2.103 54.148 52.037 0.013 0.000 0.628 40 A CB -1.039 17.969 19.000 0.013 0.000 0.816 40 A HN 0.418 nan 8.150 nan 0.000 0.444 41 T N -0.398 114.177 114.554 0.034 0.000 2.777 41 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 41 T C 1.879 176.620 174.700 0.067 0.000 1.040 41 T CA 1.479 63.613 62.100 0.057 0.000 1.141 41 T CB -0.357 68.549 68.868 0.064 0.000 0.868 41 T HN 0.129 nan 8.240 nan 0.000 0.444 42 V N 1.532 121.474 119.914 0.047 0.000 2.343 42 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 42 V C 2.546 178.650 176.094 0.016 0.000 1.051 42 V CA 1.876 64.193 62.300 0.028 0.000 1.036 42 V CB -0.554 31.260 31.823 -0.016 0.000 0.654 42 V HN 0.560 nan 8.190 nan 0.000 0.451 43 E N 0.393 120.599 120.200 0.010 0.000 2.051 43 E HA -0.232 4.118 4.350 -0.000 0.000 0.192 43 E C 2.211 178.821 176.600 0.018 0.000 0.991 43 E CA 1.429 57.833 56.400 0.005 0.000 0.799 43 E CB -0.246 29.454 29.700 -0.000 0.000 0.748 43 E HN 0.556 nan 8.360 nan 0.000 0.449 44 A N 0.817 123.656 122.820 0.032 0.000 2.019 44 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 44 A C 2.117 179.739 177.584 0.063 0.000 1.164 44 A CA 1.025 53.087 52.037 0.041 0.000 0.644 44 A CB -0.480 18.547 19.000 0.044 0.000 0.805 44 A HN 0.345 nan 8.150 nan 0.000 0.449 45 I N -0.792 119.834 120.570 0.093 0.000 2.233 45 I HA -0.231 3.939 4.170 -0.000 0.000 0.243 45 I C 2.659 178.827 176.117 0.084 0.000 1.093 45 I CA 0.995 62.380 61.300 0.142 0.000 1.380 45 I CB -0.316 37.811 38.000 0.212 0.000 1.067 45 I HN 0.331 nan 8.210 nan 0.000 0.413 46 Q N 0.616 120.440 119.800 0.040 0.000 2.135 46 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 46 Q C 2.409 178.409 176.000 0.000 0.000 0.981 46 Q CA 1.904 57.712 55.803 0.009 0.000 0.856 46 Q CB -0.388 28.344 28.738 -0.011 0.000 0.902 46 Q HN 0.573 nan 8.270 nan 0.000 0.425 47 A N 0.889 123.709 122.820 0.000 0.000 1.898 47 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 47 A C 2.327 179.896 177.584 -0.025 0.000 1.181 47 A CA 1.667 53.692 52.037 -0.021 0.000 0.620 47 A CB -0.576 18.413 19.000 -0.017 0.000 0.819 47 A HN 0.360 nan 8.150 nan 0.000 0.442 48 A N -0.515 122.318 122.820 0.022 0.000 1.930 48 A HA 0.004 4.324 4.320 -0.000 0.000 0.217 48 A C 2.117 179.729 177.584 0.048 0.000 1.175 48 A CA 1.648 53.733 52.037 0.079 0.000 0.627 48 A CB -0.579 18.483 19.000 0.103 0.000 0.815 48 A HN 0.635 nan 8.150 nan 0.000 0.443 49 L N -0.040 121.191 121.223 0.013 0.000 1.994 49 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 49 L C 2.403 179.253 176.870 -0.033 0.000 1.071 49 L CA 1.992 56.826 54.840 -0.011 0.000 0.745 49 L CB -0.610 41.448 42.059 -0.001 0.000 0.892 49 L HN 0.151 nan 8.230 nan 0.000 0.431 50 V N 0.065 119.946 119.914 -0.055 0.000 2.287 50 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 50 V C 2.806 178.799 176.094 -0.167 0.000 1.053 50 V CA 2.341 64.568 62.300 -0.120 0.000 1.027 50 V CB -0.739 30.994 31.823 -0.150 0.000 0.646 50 V HN 0.538 nan 8.190 nan 0.000 0.447 51 R N -1.206 119.174 120.500 -0.201 0.000 2.075 51 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 51 R C 2.211 178.286 176.300 -0.374 0.000 1.126 51 R CA 1.612 57.509 56.100 -0.338 0.000 0.963 51 R CB -0.114 29.880 30.300 -0.510 0.000 0.858 51 R HN 0.611 nan 8.270 nan 0.000 0.435 52 H N -1.044 117.982 119.070 -0.074 0.000 2.705 52 H HA 0.209 4.765 4.556 -0.000 0.000 0.269 52 H C 0.644 175.922 175.328 -0.083 0.000 0.998 52 H CA 0.459 56.461 56.048 -0.076 0.000 1.193 52 H CB 1.049 30.749 29.762 -0.104 0.000 1.485 52 H HN 0.059 nan 8.280 nan 0.000 0.521 53 K N -0.527 119.879 120.400 0.010 0.000 3.467 53 K HA -0.162 4.158 4.320 -0.000 0.000 0.375 53 K C -0.007 176.563 176.600 -0.051 0.000 0.589 53 K CA 1.252 57.549 56.287 0.017 0.000 1.651 53 K CB -0.934 31.605 32.500 0.066 0.000 1.135 53 K HN 0.179 nan 8.250 nan 0.000 0.459 54 V N 1.220 120.998 119.914 -0.227 0.000 2.808 54 V HA 0.720 4.840 4.120 -0.000 0.000 0.308 54 V C -1.409 174.196 176.094 -0.816 0.000 1.099 54 V CA -0.515 61.425 62.300 -0.600 0.000 0.920 54 V CB 1.553 32.699 31.823 -1.127 0.000 1.014 54 V HN 0.295 nan 8.190 nan 0.000 0.425 55 I N 2.773 122.796 120.570 -0.912 0.000 2.689 55 I HA 0.739 4.909 4.170 -0.000 0.000 0.299 55 I C -1.638 173.778 176.117 -1.168 0.000 1.059 55 I CA -0.680 60.085 61.300 -0.891 0.000 1.055 55 I CB 2.314 40.044 38.000 -0.449 0.000 1.243 55 I HN 0.456 nan 8.210 nan 0.000 0.425 56 F N 4.098 123.602 119.950 -0.744 0.000 2.507 56 F HA 0.639 5.166 4.527 -0.000 0.000 0.325 56 F C -0.860 174.497 175.800 -0.739 0.000 1.116 56 F CA -0.621 56.889 58.000 -0.817 0.000 0.930 56 F CB 1.845 40.011 39.000 -1.390 0.000 1.146 56 F HN 0.243 nan 8.300 nan 0.000 0.447 57 F N 2.734 122.654 119.950 -0.050 0.000 2.477 57 F HA 0.585 5.112 4.527 -0.000 0.000 0.335 57 F C 0.237 176.089 175.800 0.088 0.000 1.130 57 F CA -0.971 57.037 58.000 0.013 0.000 0.948 57 F CB 1.353 40.333 39.000 -0.033 0.000 1.154 57 F HN 0.282 nan 8.300 nan 0.000 0.439 58 R N 0.809 121.468 120.500 0.265 0.000 2.596 58 R HA 0.613 4.953 4.340 -0.000 0.000 0.267 58 R C 0.753 177.175 176.300 0.204 0.000 1.026 58 R CA -0.388 55.866 56.100 0.257 0.000 1.087 58 R CB 1.037 31.477 30.300 0.234 0.000 1.132 58 R HN 0.902 nan 8.270 nan 0.000 0.531 59 G N 1.157 110.061 108.800 0.174 0.000 2.176 59 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.252 59 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.252 59 G C 0.177 175.166 174.900 0.148 0.000 1.024 59 G CA -0.071 45.112 45.100 0.140 0.000 0.755 59 G HN 0.478 nan 8.290 nan 0.000 0.507 60 Q N 0.564 120.428 119.800 0.105 0.000 2.412 60 Q HA 0.146 4.486 4.340 -0.000 0.000 0.298 60 Q C 1.981 177.829 176.000 -0.253 0.000 0.938 60 Q CA 0.820 56.601 55.803 -0.037 0.000 0.968 60 Q CB -0.283 28.393 28.738 -0.102 0.000 1.187 60 Q HN 0.788 nan 8.270 nan 0.000 0.421 61 T N -3.008 111.515 114.554 -0.051 0.000 3.072 61 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 61 T C 1.466 176.123 174.700 -0.072 0.000 1.127 61 T CA 1.052 63.124 62.100 -0.047 0.000 1.107 61 T CB -0.301 68.588 68.868 0.035 0.000 0.910 61 T HN 0.518 nan 8.240 nan 0.000 0.513 62 H N -0.085 118.986 119.070 0.003 0.000 2.524 62 H HA 0.216 4.772 4.556 0.000 0.000 0.282 62 H C 0.856 176.178 175.328 -0.011 0.000 1.016 62 H CA -0.305 55.740 56.048 -0.005 0.000 1.270 62 H CB -0.584 29.171 29.762 -0.012 0.000 1.394 62 H HN 0.293 nan 8.280 nan 0.000 0.568 63 L N 3.453 124.273 121.223 -0.672 0.000 2.461 63 L HA 0.147 4.487 4.340 -0.000 0.000 0.272 63 L C -0.159 176.625 176.870 -0.145 0.000 1.197 63 L CA 0.388 55.004 54.840 -0.373 0.000 0.836 63 L CB 0.946 42.736 42.059 -0.448 0.000 1.105 63 L HN 0.555 nan 8.230 nan 0.000 0.477 64 D N -0.367 119.994 120.400 -0.065 0.000 2.744 64 D HA 0.279 4.919 4.640 -0.000 0.000 0.304 64 D C 0.184 176.477 176.300 -0.012 0.000 1.179 64 D CA -0.496 53.485 54.000 -0.031 0.000 1.024 64 D CB 0.351 41.145 40.800 -0.010 0.000 1.453 64 D HN 0.340 nan 8.370 nan 0.000 0.529 65 D N -0.772 119.626 120.400 -0.003 0.000 2.133 65 D HA -0.155 4.485 4.640 -0.000 0.000 0.195 65 D C 1.645 177.954 176.300 0.015 0.000 0.997 65 D CA 1.719 55.723 54.000 0.006 0.000 0.840 65 D CB -0.055 40.750 40.800 0.008 0.000 0.947 65 D HN 0.367 nan 8.370 nan 0.000 0.452 66 Q N -0.233 119.577 119.800 0.016 0.000 2.096 66 Q HA 0.048 4.388 4.340 -0.000 0.000 0.197 66 Q C 2.199 178.218 176.000 0.032 0.000 0.964 66 Q CA 0.805 56.621 55.803 0.021 0.000 0.838 66 Q CB -0.380 28.369 28.738 0.019 0.000 0.906 66 Q HN 0.061 nan 8.270 nan 0.000 0.444 67 S N -0.033 115.687 115.700 0.034 0.000 2.382 67 S HA -0.221 4.249 4.470 -0.000 0.000 0.228 67 S C 1.888 176.533 174.600 0.074 0.000 1.027 67 S CA 1.405 59.636 58.200 0.051 0.000 0.991 67 S CB -0.089 63.136 63.200 0.041 0.000 0.823 67 S HN 0.453 nan 8.310 nan 0.000 0.469 68 Q N 0.286 120.116 119.800 0.051 0.000 2.079 68 Q HA -0.101 4.239 4.340 -0.000 0.000 0.200 68 Q C 2.055 178.126 176.000 0.118 0.000 0.974 68 Q CA 1.604 57.458 55.803 0.084 0.000 0.840 68 Q CB -0.218 28.543 28.738 0.039 0.000 0.898 68 Q HN 0.679 nan 8.270 nan 0.000 0.430 69 E N -1.118 119.120 120.200 0.063 0.000 2.204 69 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 69 E C 1.683 178.298 176.600 0.026 0.000 0.989 69 E CA 1.020 57.441 56.400 0.035 0.000 0.824 69 E CB -0.118 29.594 29.700 0.020 0.000 0.756 69 E HN 0.520 nan 8.360 nan 0.000 0.477 70 G N 0.185 109.016 108.800 0.052 0.000 2.411 70 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.213 70 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.213 70 G C 1.278 176.204 174.900 0.044 0.000 1.166 70 G CA 0.338 45.459 45.100 0.036 0.000 0.802 70 G HN 0.362 nan 8.290 nan 0.000 0.533 71 F N 2.716 122.642 119.950 -0.041 0.000 2.095 71 F HA 0.006 4.533 4.527 -0.000 0.000 0.298 71 F C 2.702 178.460 175.800 -0.070 0.000 1.104 71 F CA 1.415 59.379 58.000 -0.060 0.000 1.232 71 F CB -0.366 38.588 39.000 -0.077 0.000 0.987 71 F HN 0.216 nan 8.300 nan 0.000 0.475 72 A N 0.297 122.982 122.820 -0.225 0.000 1.940 72 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 72 A C 2.240 179.629 177.584 -0.325 0.000 1.176 72 A CA 2.017 53.855 52.037 -0.331 0.000 0.631 72 A CB -0.843 18.093 19.000 -0.106 0.000 0.814 72 A HN 0.499 nan 8.150 nan 0.000 0.446 73 K N -0.474 119.803 120.400 -0.205 0.000 2.280 73 K HA 0.021 4.341 4.320 -0.000 0.000 0.202 73 K C 1.530 178.020 176.600 -0.183 0.000 1.047 73 K CA 0.858 57.053 56.287 -0.154 0.000 0.942 73 K CB -0.281 32.166 32.500 -0.088 0.000 0.739 73 K HN 0.528 nan 8.250 nan 0.000 0.457 74 L N 0.266 121.330 121.223 -0.266 0.000 2.291 74 L HA -0.094 4.246 4.340 -0.000 0.000 0.214 74 L C 1.742 178.456 176.870 -0.259 0.000 1.120 74 L CA 0.762 55.456 54.840 -0.244 0.000 0.799 74 L CB -0.134 41.761 42.059 -0.274 0.000 0.925 74 L HN 0.189 nan 8.230 nan 0.000 0.446 75 L N -1.475 119.545 121.223 -0.338 0.000 2.515 75 L HA 0.331 4.671 4.340 -0.000 0.000 0.223 75 L C 1.002 177.761 176.870 -0.186 0.000 1.079 75 L CA 0.297 54.974 54.840 -0.271 0.000 0.857 75 L CB 0.190 42.041 42.059 -0.346 0.000 1.050 75 L HN 0.290 nan 8.230 nan 0.000 0.476 76 G N -0.785 107.909 108.800 -0.176 0.000 2.348 76 G HA2 0.390 4.350 3.960 -0.000 0.000 0.296 76 G HA3 0.390 4.350 3.960 -0.000 0.000 0.296 76 G C -1.597 173.234 174.900 -0.115 0.000 1.258 76 G CA -0.026 44.997 45.100 -0.129 0.000 0.868 76 G HN -0.134 nan 8.290 nan 0.000 0.488 77 E N 0.671 120.815 120.200 -0.094 0.000 2.089 77 E HA 0.705 5.055 4.350 -0.000 0.000 0.284 77 E C -2.615 173.941 176.600 -0.073 0.000 1.023 77 E CA -1.669 54.685 56.400 -0.077 0.000 0.819 77 E CB 0.571 30.233 29.700 -0.062 0.000 1.076 77 E HN 0.409 nan 8.360 nan 0.000 0.396 78 P HA 0.395 nan 4.420 nan 0.000 0.267 78 P C -0.529 176.748 177.300 -0.038 0.000 1.200 78 P CA 0.269 63.337 63.100 -0.054 0.000 0.772 78 P CB 1.207 32.882 31.700 -0.042 0.000 0.855 79 V N 1.035 120.930 119.914 -0.031 0.000 2.655 79 V HA 0.635 4.755 4.120 -0.000 0.000 0.301 79 V C 0.262 176.356 176.094 0.000 0.000 1.082 79 V CA -1.326 60.961 62.300 -0.021 0.000 0.899 79 V CB 1.569 33.368 31.823 -0.040 0.000 1.014 79 V HN 0.665 nan 8.190 nan 0.000 0.429 80 A N 3.862 126.696 122.820 0.023 0.000 2.577 80 A HA 0.337 4.657 4.320 -0.000 0.000 0.233 80 A C 0.790 178.423 177.584 0.082 0.000 1.076 80 A CA 0.586 52.659 52.037 0.061 0.000 0.767 80 A CB -0.283 18.757 19.000 0.066 0.000 1.017 80 A HN 1.534 nan 8.150 nan 0.000 0.511 104 A N 2.696 125.428 122.820 -0.146 0.000 3.197 104 A HA 0.079 4.399 4.320 -0.000 0.000 0.263 104 A C 0.266 177.580 177.584 -0.450 0.000 1.524 104 A CA -0.471 51.412 52.037 -0.257 0.000 1.176 104 A CB -0.462 18.470 19.000 -0.113 0.000 1.096 104 A HN 0.621 nan 8.150 nan 0.000 0.655 105 N N 0.651 119.019 118.700 -0.554 0.000 3.303 105 N HA 0.107 4.847 4.740 -0.000 0.000 0.304 105 N C -0.551 174.251 175.510 -1.179 0.000 1.302 105 N CA 0.379 52.805 53.050 -1.039 0.000 1.213 105 N CB 0.216 38.368 38.487 -0.559 0.000 1.481 105 N HN 0.182 nan 8.380 nan 0.000 0.546 106 S N 0.142 115.215 115.700 -1.045 0.000 2.533 106 S HA 0.388 4.858 4.470 -0.000 0.000 0.271 106 S C -1.508 172.928 174.600 -0.273 0.000 1.143 106 S CA -0.880 56.980 58.200 -0.566 0.000 0.891 106 S CB 0.431 63.306 63.200 -0.542 0.000 1.105 106 S HN 0.370 nan 8.310 nan 0.000 0.468 107 W N 5.809 127.165 121.300 0.094 0.000 2.308 107 W HA 0.395 5.055 4.660 -0.000 0.000 0.324 107 W C 0.972 177.511 176.519 0.034 0.000 1.387 107 W CA 0.519 57.922 57.345 0.096 0.000 1.250 107 W CB 0.427 29.966 29.460 0.132 0.000 1.257 107 W HN 0.669 nan 8.180 nan 0.000 0.554 108 H N 0.245 119.341 119.070 0.044 0.000 3.042 108 H HA 0.457 5.013 4.556 0.000 0.000 0.346 108 H C -1.399 173.910 175.328 -0.033 0.000 1.294 108 H CA -1.109 54.913 56.048 -0.043 0.000 1.141 108 H CB 0.954 30.567 29.762 -0.248 0.000 1.872 108 H HN 0.074 nan 8.280 nan 0.000 0.541 109 T N 2.120 116.765 114.554 0.152 0.000 2.824 109 T HA 0.158 4.508 4.350 -0.000 0.000 0.280 109 T C -0.327 174.576 174.700 0.339 0.000 0.995 109 T CA -0.674 61.519 62.100 0.155 0.000 1.009 109 T CB 0.940 69.833 68.868 0.041 0.000 0.955 109 T HN 0.403 nan 8.240 nan 0.000 0.452 110 D N 2.293 122.949 120.400 0.426 0.000 2.425 110 D HA 0.128 4.768 4.640 -0.000 0.000 0.247 110 D C 0.999 177.337 176.300 0.063 0.000 1.147 110 D CA 0.226 54.506 54.000 0.466 0.000 0.879 110 D CB 0.714 41.822 40.800 0.513 0.000 1.179 110 D HN 0.492 nan 8.370 nan 0.000 0.456 111 V N 1.905 121.737 119.914 -0.136 0.000 4.654 111 V HA -0.317 3.803 4.120 -0.000 0.000 0.261 111 V C 1.806 177.345 176.094 -0.925 0.000 0.471 111 V CA 1.662 63.422 62.300 -0.900 0.000 0.802 111 V CB -2.919 28.463 31.823 -0.734 0.000 0.768 111 V HN 0.805 nan 8.190 nan 0.000 1.286 112 T N -2.204 111.991 114.554 -0.598 0.000 3.113 112 T HA -0.028 4.322 4.350 -0.000 0.000 0.263 112 T C 1.122 175.727 174.700 -0.158 0.000 1.143 112 T CA 1.244 63.024 62.100 -0.532 0.000 1.090 112 T CB -0.557 68.017 68.868 -0.491 0.000 0.922 112 T HN 1.026 nan 8.240 nan 0.000 0.521 113 F N 2.359 122.194 119.950 -0.191 0.000 2.641 113 F HA 0.365 4.892 4.527 0.000 0.000 0.298 113 F C 0.577 176.327 175.800 -0.085 0.000 1.146 113 F CA -0.912 57.043 58.000 -0.075 0.000 1.464 113 F CB -1.202 37.684 39.000 -0.189 0.000 1.101 113 F HN 0.194 nan 8.300 nan 0.000 0.585 114 V N -2.194 117.534 119.914 -0.309 0.000 3.096 114 V HA 0.426 4.546 4.120 -0.000 0.000 0.319 114 V C 1.032 177.147 176.094 0.035 0.000 1.103 114 V CA -0.885 61.303 62.300 -0.187 0.000 1.016 114 V CB 1.695 33.263 31.823 -0.425 0.000 1.090 114 V HN 0.107 nan 8.190 nan 0.000 0.449 115 E N 1.558 121.768 120.200 0.018 0.000 2.028 115 E HA 0.111 4.461 4.350 -0.000 0.000 0.191 115 E C 1.095 177.739 176.600 0.074 0.000 0.988 115 E CA 1.475 57.900 56.400 0.041 0.000 0.799 115 E CB -0.006 29.703 29.700 0.015 0.000 0.755 115 E HN 0.967 nan 8.360 nan 0.000 0.447 116 A N 1.027 123.828 122.820 -0.032 0.000 3.056 116 A HA 0.253 4.573 4.320 -0.000 0.000 0.328 116 A C -0.629 176.852 177.584 -0.172 0.000 1.233 116 A CA -0.626 51.322 52.037 -0.148 0.000 0.965 116 A CB -0.586 18.345 19.000 -0.115 0.000 1.123 116 A HN 0.278 nan 8.150 nan 0.000 0.502 117 Y N -0.294 119.933 120.300 -0.122 0.000 2.299 117 Y HA 0.603 5.153 4.550 -0.000 0.000 0.335 117 Y C -2.693 173.126 175.900 -0.135 0.000 1.287 117 Y CA -3.401 54.589 58.100 -0.184 0.000 1.424 117 Y CB -0.679 37.648 38.460 -0.223 0.000 1.326 117 Y HN 0.262 nan 8.280 nan 0.000 0.567 118 P HA 0.001 nan 4.420 nan 0.000 0.265 118 P C -0.185 177.130 177.300 0.024 0.000 1.187 118 P CA 0.117 63.227 63.100 0.017 0.000 0.766 118 P CB 0.646 32.365 31.700 0.031 0.000 0.820 119 K N 2.061 122.418 120.400 -0.071 0.000 2.365 119 K HA 0.377 4.697 4.320 -0.000 0.000 0.197 119 K C 0.343 176.920 176.600 -0.040 0.000 1.042 119 K CA 0.232 56.475 56.287 -0.073 0.000 0.987 119 K CB 0.311 32.739 32.500 -0.120 0.000 0.779 119 K HN 0.397 nan 8.250 nan 0.000 0.484 120 A N 0.083 122.842 122.820 -0.102 0.000 2.583 120 A HA 0.558 4.878 4.320 -0.000 0.000 0.292 120 A C -1.437 175.907 177.584 -0.400 0.000 1.045 120 A CA -0.768 51.119 52.037 -0.250 0.000 0.672 120 A CB 1.807 20.684 19.000 -0.205 0.000 1.283 120 A HN 0.033 nan 8.150 nan 0.000 0.419 121 S N -0.416 114.795 115.700 -0.816 0.000 2.549 121 S HA 0.776 5.246 4.470 -0.000 0.000 0.280 121 S C -1.186 172.937 174.600 -0.795 0.000 1.109 121 S CA -0.333 57.366 58.200 -0.835 0.000 0.905 121 S CB 1.092 63.609 63.200 -1.139 0.000 1.081 121 S HN 0.580 nan 8.310 nan 0.000 0.477 122 I N 3.021 123.365 120.570 -0.375 0.000 2.418 122 I HA 0.511 4.681 4.170 -0.000 0.000 0.287 122 I C -1.268 174.846 176.117 -0.006 0.000 1.008 122 I CA -0.604 60.616 61.300 -0.133 0.000 1.104 122 I CB 1.678 39.688 38.000 0.018 0.000 1.264 122 I HN 0.312 nan 8.210 nan 0.000 0.438 123 L N 7.268 128.586 121.223 0.158 0.000 2.376 123 L HA 0.574 4.914 4.340 -0.000 0.000 0.275 123 L C -0.681 176.344 176.870 0.257 0.000 0.987 123 L CA -0.317 54.680 54.840 0.261 0.000 0.828 123 L CB 1.556 43.961 42.059 0.576 0.000 1.249 123 L HN 0.570 nan 8.230 nan 0.000 0.409 124 R N 2.556 123.118 120.500 0.104 0.000 2.445 124 R HA 0.578 4.918 4.340 -0.000 0.000 0.308 124 R C -0.856 175.410 176.300 -0.056 0.000 0.961 124 R CA -0.389 55.759 56.100 0.081 0.000 0.862 124 R CB 1.697 32.017 30.300 0.034 0.000 1.144 124 R HN 0.699 nan 8.270 nan 0.000 0.447 125 S N 3.014 118.698 115.700 -0.027 0.000 2.416 125 S HA 0.159 4.629 4.470 -0.000 0.000 0.287 125 S C 0.813 175.396 174.600 -0.028 0.000 1.139 125 S CA -0.737 57.385 58.200 -0.130 0.000 1.058 125 S CB 0.945 64.177 63.200 0.053 0.000 0.967 125 S HN 0.491 nan 8.310 nan 0.000 0.495 126 V N 5.581 125.456 119.914 -0.066 0.000 2.403 126 V HA 0.163 4.283 4.120 -0.000 0.000 0.239 126 V C 0.300 176.374 176.094 -0.033 0.000 1.041 126 V CA 0.670 62.947 62.300 -0.038 0.000 1.051 126 V CB -0.055 31.743 31.823 -0.042 0.000 0.704 126 V HN 0.721 nan 8.190 nan 0.000 0.472 127 V N 0.496 120.375 119.914 -0.059 0.000 2.487 127 V HA 0.828 4.948 4.120 -0.000 0.000 0.298 127 V C -0.304 175.738 176.094 -0.087 0.000 1.028 127 V CA -0.567 61.703 62.300 -0.052 0.000 0.860 127 V CB 1.176 32.972 31.823 -0.044 0.000 0.991 127 V HN 0.338 nan 8.190 nan 0.000 0.427 128 A N 6.221 129.012 122.820 -0.050 0.000 2.304 128 A HA 0.894 5.214 4.320 -0.000 0.000 0.314 128 A C -2.595 174.960 177.584 -0.049 0.000 1.187 128 A CA -1.701 50.306 52.037 -0.050 0.000 0.810 128 A CB 0.754 19.784 19.000 0.050 0.000 1.183 128 A HN 0.672 nan 8.150 nan 0.000 0.487 129 P HA 0.162 nan 4.420 nan 0.000 0.267 129 P C 1.007 178.302 177.300 -0.009 0.000 1.201 129 P CA 0.529 63.596 63.100 -0.054 0.000 0.775 129 P CB 0.825 32.463 31.700 -0.104 0.000 0.854 130 A N 1.841 124.667 122.820 0.011 0.000 1.929 130 A HA 0.027 4.347 4.320 -0.000 0.000 0.216 130 A C 0.863 178.456 177.584 0.015 0.000 1.176 130 A CA 1.633 53.677 52.037 0.012 0.000 0.628 130 A CB -0.632 18.376 19.000 0.014 0.000 0.816 130 A HN 0.623 nan 8.150 nan 0.000 0.444 131 S N -2.634 113.086 115.700 0.033 0.000 2.536 131 S HA 0.641 5.111 4.470 -0.000 0.000 0.287 131 S C 0.140 174.787 174.600 0.078 0.000 1.101 131 S CA 0.016 58.240 58.200 0.038 0.000 0.950 131 S CB 1.313 64.533 63.200 0.033 0.000 1.056 131 S HN 2.138 nan 8.310 nan 0.000 0.481 132 G N 1.005 109.852 108.800 0.078 0.000 2.741 132 G HA2 0.343 4.303 3.960 -0.000 0.000 0.222 132 G HA3 0.343 4.303 3.960 -0.000 0.000 0.222 132 G C 0.756 175.725 174.900 0.113 0.000 1.364 132 G CA 0.438 45.619 45.100 0.135 0.000 0.866 132 G HN 2.591 nan 8.290 nan 0.000 0.555 133 G N -1.414 107.498 108.800 0.187 0.000 2.157 133 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.239 133 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.239 133 G C 0.168 175.186 174.900 0.196 0.000 0.982 133 G CA 1.132 46.227 45.100 -0.007 0.000 0.650 133 G HN 1.416 nan 8.290 nan 0.000 0.527 134 D N 0.723 121.259 120.400 0.226 0.000 2.362 134 D HA 0.497 5.137 4.640 -0.000 0.000 0.238 134 D C 0.758 177.226 176.300 0.279 0.000 1.212 134 D CA 0.979 55.135 54.000 0.260 0.000 0.902 134 D CB 0.572 41.436 40.800 0.106 0.000 1.180 134 D HN 0.141 nan 8.370 nan 0.000 0.445 135 T N -0.015 114.703 114.554 0.272 0.000 2.876 135 T HA 0.555 4.905 4.350 -0.000 0.000 0.289 135 T C -0.447 174.159 174.700 -0.157 0.000 1.014 135 T CA -0.732 61.361 62.100 -0.011 0.000 0.986 135 T CB 1.557 70.416 68.868 -0.016 0.000 1.021 135 T HN 0.027 nan 8.240 nan 0.000 0.458 136 V N 2.190 121.887 119.914 -0.362 0.000 2.628 136 V HA 0.585 4.705 4.120 -0.000 0.000 0.306 136 V C -0.788 175.161 176.094 -0.242 0.000 1.045 136 V CA -1.011 61.218 62.300 -0.118 0.000 0.905 136 V CB 1.926 33.678 31.823 -0.118 0.000 0.997 136 V HN 0.776 nan 8.190 nan 0.000 0.436 137 W N 1.428 122.870 121.300 0.237 0.000 2.781 137 W HA 0.817 5.477 4.660 0.000 0.000 0.345 137 W C -0.223 176.503 176.519 0.346 0.000 1.085 137 W CA -0.772 56.732 57.345 0.266 0.000 1.198 137 W CB 2.550 32.075 29.460 0.109 0.000 1.423 137 W HN 0.668 nan 8.180 nan 0.000 0.532 138 A N 2.362 125.481 122.820 0.497 0.000 2.374 138 A HA 0.398 4.718 4.320 -0.000 0.000 0.317 138 A C -0.723 176.968 177.584 0.178 0.000 1.094 138 A CA -0.705 51.450 52.037 0.197 0.000 0.765 138 A CB 1.471 20.368 19.000 -0.171 0.000 1.268 138 A HN 0.500 nan 8.150 nan 0.000 0.438 139 N N 1.544 120.313 118.700 0.116 0.000 2.500 139 N HA 0.140 4.880 4.740 -0.000 0.000 0.236 139 N C 1.044 176.596 175.510 0.070 0.000 1.022 139 N CA 0.458 53.572 53.050 0.107 0.000 0.935 139 N CB 1.102 39.644 38.487 0.091 0.000 1.147 139 N HN 0.668 nan 8.380 nan 0.000 0.512 140 T N 0.247 114.849 114.554 0.081 0.000 3.085 140 T HA 0.072 4.422 4.350 -0.000 0.000 0.263 140 T C 1.556 176.304 174.700 0.080 0.000 1.127 140 T CA 0.666 62.803 62.100 0.062 0.000 1.103 140 T CB 0.102 69.008 68.868 0.063 0.000 0.921 140 T HN 0.341 nan 8.240 nan 0.000 0.510 141 A N 1.639 124.506 122.820 0.079 0.000 1.898 141 A HA 0.539 4.859 4.320 -0.000 0.000 0.214 141 A C 2.771 180.415 177.584 0.100 0.000 1.183 141 A CA 1.188 53.273 52.037 0.079 0.000 0.622 141 A CB -1.276 17.748 19.000 0.040 0.000 0.824 141 A HN 0.659 nan 8.150 nan 0.000 0.444 142 A N 0.034 122.896 122.820 0.069 0.000 1.933 142 A HA 0.168 4.488 4.320 -0.000 0.000 0.218 142 A C 2.451 180.067 177.584 0.053 0.000 1.175 142 A CA 1.979 54.050 52.037 0.056 0.000 0.628 142 A CB -0.911 18.115 19.000 0.044 0.000 0.814 142 A HN 0.991 nan 8.150 nan 0.000 0.444 143 A N -1.352 121.502 122.820 0.056 0.000 1.902 143 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 143 A C 2.137 179.727 177.584 0.010 0.000 1.181 143 A CA 1.656 53.718 52.037 0.041 0.000 0.623 143 A CB -0.835 18.182 19.000 0.028 0.000 0.818 143 A HN 0.744 nan 8.150 nan 0.000 0.443 144 Y N 0.040 120.305 120.300 -0.058 0.000 2.114 144 Y HA -0.258 4.292 4.550 -0.000 0.000 0.284 144 Y C 2.563 178.416 175.900 -0.078 0.000 1.143 144 Y CA 2.474 60.529 58.100 -0.075 0.000 1.135 144 Y CB -0.331 38.102 38.460 -0.045 0.000 0.980 144 Y HN 0.330 nan 8.280 nan 0.000 0.499 145 Q N 0.779 120.617 119.800 0.064 0.000 2.170 145 Q HA -0.206 4.134 4.340 -0.000 0.000 0.203 145 Q C 1.999 177.922 176.000 -0.129 0.000 0.976 145 Q CA 2.016 57.803 55.803 -0.026 0.000 0.858 145 Q CB -0.363 28.416 28.738 0.068 0.000 0.907 145 Q HN 0.825 nan 8.270 nan 0.000 0.433 146 E N -0.821 119.311 120.200 -0.112 0.000 2.427 146 E HA -0.051 4.299 4.350 -0.000 0.000 0.196 146 E C -0.175 176.300 176.600 -0.207 0.000 1.028 146 E CA -0.091 56.245 56.400 -0.106 0.000 0.864 146 E CB -0.172 29.514 29.700 -0.023 0.000 0.813 146 E HN 0.261 nan 8.360 nan 0.000 0.514 147 L N 2.352 123.359 121.223 -0.360 0.000 2.485 147 L HA 0.198 4.538 4.340 -0.000 0.000 0.275 147 L C -1.982 174.716 176.870 -0.286 0.000 1.207 147 L CA -2.009 52.569 54.840 -0.436 0.000 0.855 147 L CB -0.229 41.527 42.059 -0.506 0.000 1.114 147 L HN -0.089 nan 8.230 nan 0.000 0.485 148 P HA -0.051 nan 4.420 nan 0.000 0.266 148 P C 0.583 177.792 177.300 -0.151 0.000 1.193 148 P CA -0.065 62.952 63.100 -0.138 0.000 0.770 148 P CB 0.543 32.188 31.700 -0.092 0.000 0.836 149 E N 3.101 123.234 120.200 -0.112 0.000 2.086 149 E HA -0.217 4.133 4.350 -0.000 0.000 0.200 149 E C -0.805 175.746 176.600 -0.081 0.000 1.012 149 E CA 2.184 58.525 56.400 -0.100 0.000 0.812 149 E CB -1.447 28.217 29.700 -0.059 0.000 0.743 149 E HN 0.428 nan 8.360 nan 0.000 0.453 150 P HA -0.150 nan 4.420 nan 0.000 0.216 150 P C 1.477 178.747 177.300 -0.050 0.000 1.150 150 P CA 0.802 63.879 63.100 -0.038 0.000 0.837 150 P CB -0.042 31.641 31.700 -0.028 0.000 0.786 151 L N -0.366 120.805 121.223 -0.086 0.000 2.093 151 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 151 L C 2.280 179.069 176.870 -0.134 0.000 1.085 151 L CA 1.722 56.498 54.840 -0.107 0.000 0.755 151 L CB -0.902 41.075 42.059 -0.138 0.000 0.904 151 L HN -0.174 nan 8.230 nan 0.000 0.435 152 R N -0.351 120.021 120.500 -0.213 0.000 2.081 152 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 152 R C 2.030 178.317 176.300 -0.021 0.000 1.131 152 R CA 1.714 57.647 56.100 -0.278 0.000 0.960 152 R CB -0.405 29.625 30.300 -0.450 0.000 0.856 152 R HN 0.549 nan 8.270 nan 0.000 0.436 153 E N 0.673 120.867 120.200 -0.010 0.000 2.110 153 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 153 E C 1.988 178.626 176.600 0.065 0.000 0.988 153 E CA 0.953 57.381 56.400 0.046 0.000 0.804 153 E CB -0.133 29.585 29.700 0.030 0.000 0.745 153 E HN 0.116 nan 8.360 nan 0.000 0.458 154 L N 1.072 122.319 121.223 0.041 0.000 2.027 154 L HA -0.044 4.296 4.340 -0.000 0.000 0.206 154 L C 2.262 179.177 176.870 0.074 0.000 1.074 154 L CA 1.955 56.830 54.840 0.058 0.000 0.745 154 L CB -0.690 41.386 42.059 0.029 0.000 0.898 154 L HN 0.019 nan 8.230 nan 0.000 0.433 155 A N -0.521 122.335 122.820 0.060 0.000 1.917 155 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 155 A C 1.927 179.587 177.584 0.128 0.000 1.182 155 A CA 2.006 54.099 52.037 0.093 0.000 0.633 155 A CB -1.042 18.035 19.000 0.128 0.000 0.819 155 A HN 0.571 nan 8.150 nan 0.000 0.448 156 D N -0.519 119.980 120.400 0.165 0.000 2.354 156 D HA -0.089 4.551 4.640 -0.000 0.000 0.216 156 D C 1.520 177.900 176.300 0.134 0.000 0.970 156 D CA 1.176 55.259 54.000 0.137 0.000 0.905 156 D CB -0.108 40.781 40.800 0.148 0.000 0.903 156 D HN 0.578 nan 8.370 nan 0.000 0.508 157 K N -0.614 119.881 120.400 0.158 0.000 2.355 157 K HA 0.209 4.529 4.320 -0.000 0.000 0.198 157 K C 0.557 177.346 176.600 0.315 0.000 1.039 157 K CA -0.111 56.311 56.287 0.225 0.000 1.075 157 K CB 1.007 33.623 32.500 0.193 0.000 0.870 157 K HN 0.045 nan 8.250 nan 0.000 0.540 158 L N 0.618 121.978 121.223 0.229 0.000 2.399 158 L HA 0.279 4.619 4.340 -0.000 0.000 0.266 158 L C -0.692 176.316 176.870 0.230 0.000 1.114 158 L CA -0.625 54.379 54.840 0.273 0.000 0.804 158 L CB 0.513 42.656 42.059 0.141 0.000 1.146 158 L HN -0.023 nan 8.230 nan 0.000 0.451 159 W N 1.027 122.434 121.300 0.178 0.000 2.844 159 W HA 0.699 5.359 4.660 0.000 0.000 0.340 159 W C -0.405 176.240 176.519 0.209 0.000 1.093 159 W CA -0.281 57.177 57.345 0.189 0.000 1.212 159 W CB 1.951 31.507 29.460 0.160 0.000 1.422 159 W HN 0.424 nan 8.180 nan 0.000 0.515 160 A N 1.518 124.569 122.820 0.386 0.000 2.413 160 A HA 0.824 5.144 4.320 -0.000 0.000 0.307 160 A C -1.548 176.284 177.584 0.413 0.000 1.087 160 A CA -0.774 51.465 52.037 0.337 0.000 0.750 160 A CB 1.222 20.364 19.000 0.236 0.000 1.296 160 A HN 0.369 nan 8.150 nan 0.000 0.423 161 V N 3.549 123.630 119.914 0.278 0.000 2.406 161 V HA 0.270 4.390 4.120 -0.000 0.000 0.272 161 V C -0.085 176.153 176.094 0.240 0.000 1.043 161 V CA -0.185 62.281 62.300 0.277 0.000 0.915 161 V CB 0.352 32.281 31.823 0.176 0.000 0.988 161 V HN 0.857 nan 8.190 nan 0.000 0.466 162 H N 2.628 121.839 119.070 0.235 0.000 2.479 162 H HA 0.662 5.218 4.556 -0.000 0.000 0.335 162 H C -0.272 175.208 175.328 0.253 0.000 1.142 162 H CA -0.372 55.843 56.048 0.278 0.000 1.234 162 H CB 2.149 32.134 29.762 0.372 0.000 1.503 162 H HN 0.614 nan 8.280 nan 0.000 0.510 163 S N 1.087 117.002 115.700 0.358 0.000 2.533 163 S HA 0.033 4.503 4.470 -0.000 0.000 0.271 163 S C 0.325 174.992 174.600 0.112 0.000 1.143 163 S CA -0.962 57.368 58.200 0.217 0.000 0.891 163 S CB 0.858 64.130 63.200 0.121 0.000 1.105 163 S HN 0.855 nan 8.310 nan 0.000 0.468 164 N N 1.769 120.321 118.700 -0.246 0.000 2.322 164 N HA 0.123 4.863 4.740 -0.000 0.000 0.194 164 N C 0.646 176.060 175.510 -0.161 0.000 1.126 164 N CA 0.061 52.814 53.050 -0.496 0.000 0.845 164 N CB -0.625 36.992 38.487 -1.451 0.000 0.976 164 N HN 0.690 nan 8.380 nan 0.000 0.475 193 E N 1.898 122.255 120.200 0.261 0.000 2.241 193 E HA 0.631 4.981 4.350 -0.000 0.000 0.263 193 E C -1.394 175.323 176.600 0.195 0.000 0.882 193 E CA -0.806 55.720 56.400 0.211 0.000 0.769 193 E CB 2.620 32.402 29.700 0.136 0.000 1.185 193 E HN 0.521 nan 8.360 nan 0.000 0.415 194 T N 2.099 116.769 114.554 0.194 0.000 2.876 194 T HA 0.264 4.614 4.350 -0.000 0.000 0.289 194 T C -0.582 174.165 174.700 0.078 0.000 1.014 194 T CA -0.776 61.362 62.100 0.064 0.000 0.986 194 T CB 1.573 70.388 68.868 -0.089 0.000 1.021 194 T HN 0.295 nan 8.240 nan 0.000 0.458 195 E N 2.499 122.745 120.200 0.077 0.000 2.146 195 E HA 0.299 4.649 4.350 -0.000 0.000 0.282 195 E C -0.522 176.233 176.600 0.258 0.000 0.989 195 E CA -0.655 55.916 56.400 0.286 0.000 0.799 195 E CB 0.714 30.629 29.700 0.359 0.000 1.088 195 E HN 0.482 nan 8.360 nan 0.000 0.397 196 H N 2.579 121.832 119.070 0.306 0.000 2.679 196 H HA 0.327 4.883 4.556 0.000 0.000 0.367 196 H C -2.324 172.667 175.328 -0.562 0.000 1.162 196 H CA -2.311 53.690 56.048 -0.078 0.000 1.181 196 H CB 1.829 31.511 29.762 -0.134 0.000 1.693 196 H HN 0.362 nan 8.280 nan 0.000 0.538 197 P HA -0.012 nan 4.420 nan 0.000 0.271 197 P C 0.965 178.017 177.300 -0.412 0.000 1.216 197 P CA -0.104 62.256 63.100 -1.233 0.000 0.776 197 P CB 1.498 32.611 31.700 -0.978 0.000 0.881 198 V N 2.648 122.406 119.914 -0.260 0.000 2.594 198 V HA -0.121 3.999 4.120 -0.000 0.000 0.253 198 V C 1.180 177.236 176.094 -0.062 0.000 1.069 198 V CA 1.506 63.776 62.300 -0.050 0.000 1.082 198 V CB -0.112 31.721 31.823 0.016 0.000 0.680 198 V HN 0.344 nan 8.190 nan 0.000 0.469 199 V N 1.182 121.023 119.914 -0.123 0.000 2.357 199 V HA 0.406 4.526 4.120 -0.000 0.000 0.284 199 V C 0.059 176.042 176.094 -0.184 0.000 1.018 199 V CA -0.679 61.532 62.300 -0.147 0.000 0.841 199 V CB 1.532 33.265 31.823 -0.149 0.000 0.991 199 V HN 0.389 nan 8.190 nan 0.000 0.437 200 R N 3.953 124.354 120.500 -0.164 0.000 2.407 200 R HA 0.692 5.032 4.340 -0.000 0.000 0.303 200 R C -1.334 174.888 176.300 -0.131 0.000 0.981 200 R CA -0.495 55.524 56.100 -0.135 0.000 0.905 200 R CB 1.807 32.050 30.300 -0.096 0.000 1.099 200 R HN 0.494 nan 8.270 nan 0.000 0.459 201 V N 4.986 124.838 119.914 -0.103 0.000 2.385 201 V HA 0.109 4.229 4.120 -0.000 0.000 0.269 201 V C 0.426 176.499 176.094 -0.035 0.000 1.043 201 V CA -0.630 61.627 62.300 -0.071 0.000 0.906 201 V CB 0.758 32.549 31.823 -0.054 0.000 0.995 201 V HN 0.716 nan 8.190 nan 0.000 0.467 202 H N 9.225 128.246 119.070 -0.082 0.000 2.929 202 H HA 0.110 4.666 4.556 0.000 0.000 0.317 202 H C -1.548 173.745 175.328 -0.059 0.000 1.031 202 H CA -1.513 54.496 56.048 -0.065 0.000 1.466 202 H CB 1.887 31.617 29.762 -0.054 0.000 1.482 202 H HN 0.399 nan 8.280 nan 0.000 0.561 203 P HA -0.068 nan 4.420 nan 0.000 0.230 203 P C 1.094 178.446 177.300 0.087 0.000 1.158 203 P CA 0.910 63.987 63.100 -0.039 0.000 0.769 203 P CB 0.528 32.147 31.700 -0.135 0.000 0.807 204 I N -0.294 120.469 120.570 0.321 0.000 3.194 204 I HA -0.054 4.116 4.170 -0.000 0.000 0.271 204 I C 2.318 178.482 176.117 0.079 0.000 1.150 204 I CA 1.081 62.489 61.300 0.179 0.000 1.440 204 I CB -0.397 37.713 38.000 0.182 0.000 1.276 204 I HN -0.091 nan 8.210 nan 0.000 0.457 205 S N 0.279 115.988 115.700 0.015 0.000 2.501 205 S HA 0.199 4.669 4.470 -0.000 0.000 0.220 205 S C 1.842 176.421 174.600 -0.035 0.000 0.997 205 S CA 0.474 58.606 58.200 -0.114 0.000 0.919 205 S CB 0.236 63.245 63.200 -0.320 0.000 0.778 205 S HN 0.563 nan 8.310 nan 0.000 0.523 206 G N 1.084 109.906 108.800 0.037 0.000 2.189 206 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.267 206 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.267 206 G C -0.194 174.704 174.900 -0.003 0.000 0.975 206 G CA 0.394 45.505 45.100 0.019 0.000 0.644 206 G HN 0.627 nan 8.290 nan 0.000 0.537 207 E N 0.461 120.653 120.200 -0.013 0.000 2.360 207 E HA 0.367 4.717 4.350 -0.000 0.000 0.269 207 E C 0.786 177.351 176.600 -0.058 0.000 1.022 207 E CA -0.367 56.009 56.400 -0.039 0.000 0.887 207 E CB 0.521 30.182 29.700 -0.065 0.000 0.990 207 E HN 0.380 nan 8.360 nan 0.000 0.426 208 R N 1.287 121.686 120.500 -0.168 0.000 2.390 208 R HA 0.516 4.856 4.340 -0.000 0.000 0.291 208 R C -0.634 175.457 176.300 -0.347 0.000 1.070 208 R CA -0.297 55.567 56.100 -0.394 0.000 1.014 208 R CB 1.200 30.978 30.300 -0.871 0.000 1.007 208 R HN 0.432 nan 8.270 nan 0.000 0.466 209 A N 3.481 126.149 122.820 -0.252 0.000 2.486 209 A HA 0.442 4.762 4.320 -0.000 0.000 0.300 209 A C -0.730 176.817 177.584 -0.062 0.000 1.048 209 A CA -0.833 51.156 52.037 -0.079 0.000 0.696 209 A CB 1.142 20.154 19.000 0.021 0.000 1.278 209 A HN 0.601 nan 8.150 nan 0.000 0.405 210 L N 1.530 122.767 121.223 0.024 0.000 2.416 210 L HA 0.259 4.599 4.340 -0.000 0.000 0.272 210 L C 0.367 177.254 176.870 0.029 0.000 1.161 210 L CA 0.242 55.102 54.840 0.032 0.000 0.845 210 L CB 0.589 42.672 42.059 0.041 0.000 1.119 210 L HN 0.702 nan 8.230 nan 0.000 0.464 211 Q N 4.976 124.796 119.800 0.034 0.000 2.508 211 Q HA 0.527 4.867 4.340 -0.000 0.000 0.247 211 Q C -0.714 175.392 176.000 0.176 0.000 1.047 211 Q CA -0.153 55.690 55.803 0.066 0.000 0.783 211 Q CB 1.465 30.204 28.738 0.002 0.000 1.172 211 Q HN 0.627 nan 8.270 nan 0.000 0.515 212 L N -0.218 121.109 121.223 0.173 0.000 3.146 212 L HA 0.763 5.103 4.340 -0.000 0.000 0.229 212 L C 0.513 177.545 176.870 0.271 0.000 2.007 212 L CA -0.681 54.284 54.840 0.208 0.000 2.100 212 L CB 0.484 42.538 42.059 -0.008 0.000 2.137 212 L HN 0.694 nan 8.230 nan 0.000 0.564 213 G N -0.800 108.176 108.800 0.294 0.000 2.698 213 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.225 213 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.225 213 G C -0.024 175.070 174.900 0.324 0.000 1.345 213 G CA 0.676 45.971 45.100 0.325 0.000 0.871 213 G HN 0.969 nan 8.290 nan 0.000 0.540 214 H N -0.438 118.672 119.070 0.066 0.000 2.456 214 H HA 0.110 4.666 4.556 -0.000 0.000 0.296 214 H C 2.273 177.479 175.328 -0.203 0.000 1.079 214 H CA 2.640 58.613 56.048 -0.126 0.000 1.322 214 H CB -0.178 29.395 29.762 -0.315 0.000 1.388 214 H HN 0.405 nan 8.280 nan 0.000 0.538 215 F N 0.181 120.181 119.950 0.083 0.000 2.502 215 F HA 0.059 4.585 4.527 -0.000 0.000 0.298 215 F C 0.901 176.640 175.800 -0.101 0.000 1.111 215 F CA 0.120 58.148 58.000 0.046 0.000 1.445 215 F CB -0.394 38.824 39.000 0.363 0.000 1.081 215 F HN -0.074 nan 8.300 nan 0.000 0.558 216 V N 1.309 121.148 119.914 -0.124 0.000 2.493 216 V HA 0.133 4.253 4.120 -0.000 0.000 0.292 216 V C 1.134 177.058 176.094 -0.282 0.000 1.016 216 V CA 0.799 62.900 62.300 -0.332 0.000 1.097 216 V CB 0.312 31.983 31.823 -0.254 0.000 0.947 216 V HN 0.380 nan 8.190 nan 0.000 0.479 217 K N 5.641 125.943 120.400 -0.162 0.000 2.214 217 K HA 0.276 4.596 4.320 -0.000 0.000 0.201 217 K C 0.867 177.390 176.600 -0.130 0.000 1.049 217 K CA 1.142 57.350 56.287 -0.130 0.000 0.978 217 K CB 0.238 32.719 32.500 -0.031 0.000 0.842 217 K HN 0.891 nan 8.250 nan 0.000 0.474 218 R N -1.245 119.216 120.500 -0.066 0.000 2.728 218 R HA 0.497 4.837 4.340 -0.000 0.000 0.274 218 R C -1.686 174.657 176.300 0.073 0.000 1.032 218 R CA -0.908 55.183 56.100 -0.015 0.000 0.866 218 R CB 0.575 30.890 30.300 0.026 0.000 1.263 218 R HN -0.054 nan 8.270 nan 0.000 0.475 219 I N 1.813 122.457 120.570 0.123 0.000 2.342 219 I HA 0.260 4.430 4.170 -0.000 0.000 0.291 219 I C 0.418 176.716 176.117 0.302 0.000 1.010 219 I CA -0.513 60.910 61.300 0.204 0.000 1.308 219 I CB 1.123 39.200 38.000 0.128 0.000 1.400 219 I HN 0.582 nan 8.210 nan 0.000 0.488 220 K N 3.795 124.389 120.400 0.324 0.000 2.412 220 K HA 0.317 4.637 4.320 -0.000 0.000 0.281 220 K C 0.899 177.682 176.600 0.305 0.000 1.027 220 K CA 0.678 57.131 56.287 0.277 0.000 0.989 220 K CB 0.598 33.260 32.500 0.270 0.000 0.935 220 K HN 0.969 nan 8.250 nan 0.000 0.475 221 G N 2.597 111.472 108.800 0.125 0.000 2.159 221 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.227 221 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.227 221 G C -0.831 173.792 174.900 -0.461 0.000 0.986 221 G CA -0.315 44.702 45.100 -0.138 0.000 0.651 221 G HN 0.551 nan 8.290 nan 0.000 0.523 222 Y N 0.904 121.245 120.300 0.069 0.000 2.545 222 Y HA 0.640 5.190 4.550 0.000 0.000 0.348 222 Y C 0.920 176.853 175.900 0.054 0.000 1.002 222 Y CA -0.424 57.716 58.100 0.066 0.000 1.039 222 Y CB 1.735 40.245 38.460 0.083 0.000 1.271 222 Y HN 0.425 nan 8.280 nan 0.000 0.467 223 S N 1.429 117.235 115.700 0.178 0.000 2.572 223 S HA -0.019 4.451 4.470 -0.000 0.000 0.267 223 S C 1.118 175.794 174.600 0.127 0.000 1.361 223 S CA -0.311 57.962 58.200 0.122 0.000 1.009 223 S CB 0.446 63.709 63.200 0.105 0.000 0.888 223 S HN 0.836 nan 8.310 nan 0.000 0.553 224 L N 1.361 122.629 121.223 0.076 0.000 2.042 224 L HA 0.025 4.365 4.340 -0.000 0.000 0.210 224 L C 2.513 179.406 176.870 0.039 0.000 1.076 224 L CA 2.302 57.169 54.840 0.045 0.000 0.749 224 L CB -1.200 40.869 42.059 0.017 0.000 0.893 224 L HN 0.894 nan 8.230 nan 0.000 0.432 225 A N -0.518 122.337 122.820 0.059 0.000 1.873 225 A HA -0.186 4.134 4.320 -0.000 0.000 0.215 225 A C 1.950 179.611 177.584 0.128 0.000 1.186 225 A CA 1.751 53.824 52.037 0.060 0.000 0.616 225 A CB -0.872 18.191 19.000 0.105 0.000 0.823 225 A HN 0.540 nan 8.150 nan 0.000 0.442 226 D N -0.538 119.973 120.400 0.186 0.000 2.084 226 D HA -0.123 4.517 4.640 -0.000 0.000 0.194 226 D C 2.276 178.655 176.300 0.130 0.000 0.990 226 D CA 1.624 55.753 54.000 0.215 0.000 0.826 226 D CB -0.527 40.437 40.800 0.272 0.000 0.971 226 D HN 0.360 nan 8.370 nan 0.000 0.453 227 S N -0.100 115.671 115.700 0.120 0.000 2.372 227 S HA -0.292 4.178 4.470 -0.000 0.000 0.227 227 S C 1.920 176.557 174.600 0.061 0.000 1.044 227 S CA 1.754 59.996 58.200 0.071 0.000 1.050 227 S CB -0.182 63.070 63.200 0.088 0.000 0.901 227 S HN 0.242 nan 8.310 nan 0.000 0.447 228 Q N -0.983 118.821 119.800 0.007 0.000 2.084 228 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 228 Q C 2.017 178.010 176.000 -0.013 0.000 0.978 228 Q CA 1.965 57.744 55.803 -0.039 0.000 0.844 228 Q CB -0.172 28.471 28.738 -0.159 0.000 0.898 228 Q HN 0.767 nan 8.270 nan 0.000 0.426 229 H N -0.427 118.686 119.070 0.071 0.000 2.357 229 H HA -0.082 4.474 4.556 -0.000 0.000 0.301 229 H C 1.921 177.276 175.328 0.045 0.000 1.082 229 H CA 1.305 57.386 56.048 0.054 0.000 1.342 229 H CB 0.140 29.923 29.762 0.035 0.000 1.389 229 H HN 0.140 nan 8.280 nan 0.000 0.511 230 L N -0.724 120.581 121.223 0.135 0.000 2.056 230 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 230 L C 2.137 179.049 176.870 0.071 0.000 1.078 230 L CA 0.957 55.825 54.840 0.046 0.000 0.749 230 L CB -0.343 41.666 42.059 -0.084 0.000 0.901 230 L HN 0.268 nan 8.230 nan 0.000 0.433 231 F N 0.884 120.818 119.950 -0.026 0.000 2.134 231 F HA -0.217 4.310 4.527 0.000 0.000 0.299 231 F C 2.458 178.253 175.800 -0.008 0.000 1.097 231 F CA 1.318 59.305 58.000 -0.021 0.000 1.264 231 F CB -0.193 38.789 39.000 -0.030 0.000 1.001 231 F HN -0.010 nan 8.300 nan 0.000 0.479 232 A N -0.288 122.620 122.820 0.146 0.000 1.933 232 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 232 A C 2.281 179.842 177.584 -0.038 0.000 1.175 232 A CA 1.911 53.979 52.037 0.052 0.000 0.628 232 A CB -1.338 17.723 19.000 0.101 0.000 0.814 232 A HN 0.296 nan 8.150 nan 0.000 0.444 233 V N -0.086 119.830 119.914 0.003 0.000 2.270 233 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 233 V C 2.544 178.663 176.094 0.041 0.000 1.043 233 V CA 1.951 64.271 62.300 0.033 0.000 1.014 233 V CB -0.638 31.218 31.823 0.056 0.000 0.645 233 V HN 0.568 nan 8.190 nan 0.000 0.447 234 L N -0.573 120.610 121.223 -0.067 0.000 2.095 234 L HA -0.135 4.205 4.340 -0.000 0.000 0.204 234 L C 2.573 179.329 176.870 -0.190 0.000 1.080 234 L CA 1.340 56.126 54.840 -0.090 0.000 0.759 234 L CB -0.524 41.459 42.059 -0.126 0.000 0.914 234 L HN 0.345 nan 8.230 nan 0.000 0.439 235 Q N 0.615 120.158 119.800 -0.429 0.000 2.167 235 Q HA -0.096 4.243 4.340 -0.000 0.000 0.202 235 Q C 2.058 177.857 176.000 -0.335 0.000 0.970 235 Q CA 1.726 57.218 55.803 -0.518 0.000 0.855 235 Q CB -0.376 27.760 28.738 -1.003 0.000 0.911 235 Q HN 0.366 nan 8.270 nan 0.000 0.438 236 G N -0.596 108.054 108.800 -0.249 0.000 2.422 236 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 236 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 236 G C 1.231 175.954 174.900 -0.295 0.000 1.140 236 G CA 0.791 45.746 45.100 -0.241 0.000 0.775 236 G HN 0.432 nan 8.290 nan 0.000 0.545 237 H N -0.095 118.867 119.070 -0.181 0.000 2.389 237 H HA -0.013 4.543 4.556 -0.000 0.000 0.299 237 H C 2.820 178.040 175.328 -0.181 0.000 1.081 237 H CA 1.250 57.206 56.048 -0.153 0.000 1.345 237 H CB -0.090 29.598 29.762 -0.124 0.000 1.393 237 H HN 0.195 nan 8.280 nan 0.000 0.520 238 V N 0.949 120.791 119.914 -0.120 0.000 2.287 238 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 238 V C 2.542 178.408 176.094 -0.379 0.000 1.053 238 V CA 2.333 64.504 62.300 -0.215 0.000 1.027 238 V CB -0.730 30.934 31.823 -0.265 0.000 0.646 238 V HN 0.593 nan 8.190 nan 0.000 0.447 239 T N -2.232 112.017 114.554 -0.509 0.000 3.107 239 T HA 0.073 4.423 4.350 -0.000 0.000 0.249 239 T C 0.885 175.379 174.700 -0.344 0.000 1.096 239 T CA -0.285 61.406 62.100 -0.682 0.000 1.012 239 T CB -0.284 68.025 68.868 -0.932 0.000 0.977 239 T HN 0.346 nan 8.240 nan 0.000 0.527 240 R N 0.941 121.295 120.500 -0.244 0.000 2.537 240 R HA 0.153 4.493 4.340 -0.000 0.000 0.281 240 R C 1.250 177.490 176.300 -0.099 0.000 0.988 240 R CA -0.164 55.840 56.100 -0.160 0.000 1.077 240 R CB 0.141 30.351 30.300 -0.151 0.000 0.932 240 R HN 0.330 nan 8.270 nan 0.000 0.409 241 L N 3.311 124.499 121.223 -0.058 0.000 2.081 241 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 241 L C 1.776 178.651 176.870 0.008 0.000 1.080 241 L CA 1.527 56.362 54.840 -0.010 0.000 0.754 241 L CB -0.244 41.814 42.059 -0.002 0.000 0.893 241 L HN 0.721 nan 8.230 nan 0.000 0.433 242 E N -0.092 120.105 120.200 -0.004 0.000 2.267 242 E HA -0.167 4.183 4.350 -0.000 0.000 0.197 242 E C 1.272 177.887 176.600 0.025 0.000 0.998 242 E CA 0.803 57.210 56.400 0.012 0.000 0.830 242 E CB -0.137 29.566 29.700 0.004 0.000 0.751 242 E HN 0.399 nan 8.360 nan 0.000 0.491 243 N N 0.174 118.881 118.700 0.011 0.000 2.276 243 N HA 0.023 4.763 4.740 -0.000 0.000 0.212 243 N C -0.343 175.205 175.510 0.063 0.000 1.127 243 N CA 0.371 53.437 53.050 0.026 0.000 0.834 243 N CB 0.657 39.139 38.487 -0.007 0.000 1.014 243 N HN 0.187 nan 8.380 nan 0.000 0.491 244 T N -3.254 111.356 114.554 0.092 0.000 2.930 244 T HA 0.654 5.004 4.350 -0.000 0.000 0.290 244 T C -0.493 174.334 174.700 0.213 0.000 1.052 244 T CA -0.846 61.363 62.100 0.182 0.000 1.017 244 T CB 2.454 71.449 68.868 0.212 0.000 1.137 244 T HN -0.213 nan 8.240 nan 0.000 0.511 245 V N 0.606 120.707 119.914 0.312 0.000 2.808 245 V HA 0.744 4.864 4.120 -0.000 0.000 0.308 245 V C -1.024 175.300 176.094 0.384 0.000 1.099 245 V CA -1.014 61.472 62.300 0.310 0.000 0.920 245 V CB 2.011 34.037 31.823 0.338 0.000 1.014 245 V HN 1.144 nan 8.190 nan 0.000 0.425 246 R N 6.284 126.938 120.500 0.256 0.000 2.445 246 R HA 0.439 4.779 4.340 -0.000 0.000 0.308 246 R C -1.530 174.872 176.300 0.171 0.000 0.961 246 R CA -0.640 55.587 56.100 0.211 0.000 0.862 246 R CB 1.296 31.649 30.300 0.089 0.000 1.144 246 R HN 0.815 nan 8.270 nan 0.000 0.447 247 W N 6.630 127.893 121.300 -0.062 0.000 2.532 247 W HA 0.363 5.023 4.660 -0.000 0.000 0.321 247 W C -1.088 175.217 176.519 -0.356 0.000 1.037 247 W CA -1.047 56.070 57.345 -0.380 0.000 1.220 247 W CB 1.424 30.499 29.460 -0.641 0.000 1.361 247 W HN 0.509 nan 8.180 nan 0.000 0.468 248 R N 5.371 125.371 120.500 -0.834 0.000 2.202 248 R HA 0.183 4.523 4.340 -0.000 0.000 0.334 248 R C -0.920 175.015 176.300 -0.609 0.000 1.036 248 R CA -0.388 55.400 56.100 -0.520 0.000 0.878 248 R CB 0.507 30.574 30.300 -0.389 0.000 1.067 248 R HN 0.427 nan 8.270 nan 0.000 0.457 249 W N 2.941 124.167 121.300 -0.124 0.000 2.202 249 W HA 0.206 4.866 4.660 0.000 0.000 0.332 249 W C 0.274 176.789 176.519 -0.006 0.000 1.263 249 W CA -0.129 57.257 57.345 0.068 0.000 1.223 249 W CB 0.739 30.307 29.460 0.179 0.000 1.128 249 W HN 0.406 nan 8.180 nan 0.000 0.573 250 E N 1.233 121.639 120.200 0.344 0.000 2.256 250 E HA 0.563 4.913 4.350 -0.000 0.000 0.267 250 E C -0.560 176.189 176.600 0.248 0.000 0.892 250 E CA -1.147 55.378 56.400 0.208 0.000 0.775 250 E CB 1.754 31.528 29.700 0.124 0.000 1.207 250 E HN 0.481 nan 8.360 nan 0.000 0.420 251 A N 1.118 124.026 122.820 0.147 0.000 2.565 251 A HA 0.378 4.698 4.320 -0.000 0.000 0.237 251 A C 1.219 178.882 177.584 0.132 0.000 1.053 251 A CA 1.081 53.186 52.037 0.113 0.000 0.755 251 A CB -0.561 18.474 19.000 0.057 0.000 0.980 251 A HN 0.904 nan 8.150 nan 0.000 0.506 252 G N 1.810 110.683 108.800 0.122 0.000 2.176 252 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.253 252 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.253 252 G C -0.044 174.975 174.900 0.198 0.000 0.979 252 G CA 0.373 45.538 45.100 0.109 0.000 0.641 252 G HN 0.861 nan 8.290 nan 0.000 0.530 253 D N 0.138 120.750 120.400 0.354 0.000 2.382 253 D HA 0.517 5.157 4.640 -0.000 0.000 0.245 253 D C 0.345 176.959 176.300 0.523 0.000 1.120 253 D CA 0.213 54.512 54.000 0.498 0.000 0.890 253 D CB 1.781 43.062 40.800 0.801 0.000 1.201 253 D HN 0.204 nan 8.370 nan 0.000 0.433 254 V N 1.234 121.401 119.914 0.421 0.000 2.588 254 V HA 0.699 4.819 4.120 -0.000 0.000 0.304 254 V C -0.100 176.208 176.094 0.357 0.000 1.042 254 V CA -0.882 61.648 62.300 0.383 0.000 0.877 254 V CB 1.716 33.636 31.823 0.161 0.000 0.996 254 V HN 0.669 nan 8.190 nan 0.000 0.425 255 A N 5.890 128.962 122.820 0.421 0.000 2.350 255 A HA 0.954 5.274 4.320 -0.000 0.000 0.324 255 A C -0.877 176.796 177.584 0.147 0.000 1.118 255 A CA -0.576 51.533 52.037 0.120 0.000 0.783 255 A CB 1.006 20.083 19.000 0.127 0.000 1.236 255 A HN 0.757 nan 8.150 nan 0.000 0.457 256 I N 1.465 121.996 120.570 -0.064 0.000 2.498 256 I HA 0.542 4.712 4.170 -0.000 0.000 0.290 256 I C -0.921 175.129 176.117 -0.112 0.000 1.032 256 I CA -0.395 60.855 61.300 -0.083 0.000 1.073 256 I CB 1.741 39.751 38.000 0.017 0.000 1.251 256 I HN 0.950 nan 8.210 nan 0.000 0.426 257 W N 4.262 125.467 121.300 -0.158 0.000 2.962 257 W HA 0.567 5.226 4.660 -0.000 0.000 0.341 257 W C -1.061 175.447 176.519 -0.018 0.000 1.155 257 W CA -0.985 56.255 57.345 -0.176 0.000 1.165 257 W CB 0.538 29.889 29.460 -0.182 0.000 1.435 257 W HN 0.283 nan 8.180 nan 0.000 0.546 258 D N 1.954 122.490 120.400 0.227 0.000 2.422 258 D HA 0.036 4.676 4.640 -0.000 0.000 0.227 258 D C 0.493 177.004 176.300 0.351 0.000 1.190 258 D CA 0.072 54.189 54.000 0.195 0.000 0.905 258 D CB 0.394 41.296 40.800 0.170 0.000 1.034 258 D HN 0.618 nan 8.370 nan 0.000 0.507 259 N N 2.865 121.770 118.700 0.340 0.000 2.573 259 N HA -0.058 4.682 4.740 -0.000 0.000 0.187 259 N C 1.246 176.987 175.510 0.384 0.000 1.107 259 N CA 0.668 54.001 53.050 0.472 0.000 0.918 259 N CB 0.202 38.941 38.487 0.419 0.000 0.966 259 N HN 0.311 nan 8.380 nan 0.000 0.448 260 R N -1.001 119.655 120.500 0.261 0.000 2.240 260 R HA 0.185 4.525 4.340 -0.000 0.000 0.203 260 R C 0.424 176.849 176.300 0.210 0.000 1.011 260 R CA 0.953 57.163 56.100 0.183 0.000 1.007 260 R CB 0.355 30.616 30.300 -0.064 0.000 0.911 260 R HN 0.142 nan 8.270 nan 0.000 0.468 261 A N 0.818 123.787 122.820 0.248 0.000 2.543 261 A HA 0.169 4.489 4.320 -0.000 0.000 0.279 261 A C -0.023 177.684 177.584 0.205 0.000 0.917 261 A CA -0.356 51.805 52.037 0.206 0.000 1.036 261 A CB 0.430 19.552 19.000 0.204 0.000 1.227 261 A HN 0.190 nan 8.150 nan 0.000 0.503 262 T N -3.369 111.342 114.554 0.261 0.000 2.812 262 T HA 0.738 5.088 4.350 -0.000 0.000 0.294 262 T C -0.795 174.064 174.700 0.266 0.000 1.159 262 T CA -0.627 61.642 62.100 0.282 0.000 1.008 262 T CB 1.634 70.743 68.868 0.402 0.000 1.289 262 T HN 0.206 nan 8.240 nan 0.000 0.514 263 Q N 0.023 119.978 119.800 0.258 0.000 2.496 263 Q HA 0.584 4.924 4.340 -0.000 0.000 0.286 263 Q C -0.974 175.180 176.000 0.257 0.000 1.103 263 Q CA -1.130 54.801 55.803 0.212 0.000 0.813 263 Q CB 2.146 31.017 28.738 0.223 0.000 1.444 263 Q HN 0.933 nan 8.270 nan 0.000 0.443 264 H N -1.194 117.775 119.070 -0.168 0.000 2.960 264 H HA 0.540 5.096 4.556 0.000 0.000 0.323 264 H C -1.909 173.027 175.328 -0.653 0.000 1.326 264 H CA -0.740 54.968 56.048 -0.567 0.000 1.124 264 H CB 1.447 30.435 29.762 -1.289 0.000 1.853 264 H HN 0.710 nan 8.280 nan 0.000 0.536 265 Y N 0.623 120.374 120.300 -0.915 0.000 2.399 265 Y HA 0.559 5.109 4.550 0.000 0.000 0.327 265 Y C -1.722 173.853 175.900 -0.542 0.000 1.111 265 Y CA -0.551 57.024 58.100 -0.874 0.000 1.047 265 Y CB 1.702 39.138 38.460 -1.706 0.000 1.259 265 Y HN 1.037 nan 8.280 nan 0.000 0.434 266 A N 5.671 128.341 122.820 -0.249 0.000 2.252 266 A HA 0.655 4.975 4.320 -0.000 0.000 0.309 266 A C -1.093 176.506 177.584 0.024 0.000 1.285 266 A CA -0.598 51.407 52.037 -0.053 0.000 0.900 266 A CB 0.136 19.121 19.000 -0.025 0.000 1.157 266 A HN 0.561 nan 8.150 nan 0.000 0.536 267 V N 2.885 122.916 119.914 0.195 0.000 2.555 267 V HA 0.100 4.220 4.120 -0.000 0.000 0.286 267 V C 0.323 176.552 176.094 0.226 0.000 1.044 267 V CA 0.061 62.511 62.300 0.250 0.000 1.026 267 V CB 1.185 33.115 31.823 0.179 0.000 0.981 267 V HN 0.886 nan 8.190 nan 0.000 0.480 268 D N 3.699 124.166 120.400 0.112 0.000 2.772 268 D HA 0.174 4.814 4.640 -0.000 0.000 0.273 268 D C 0.294 176.524 176.300 -0.117 0.000 1.233 268 D CA -0.505 53.463 54.000 -0.054 0.000 0.984 268 D CB 0.339 41.056 40.800 -0.138 0.000 1.000 268 D HN 0.709 nan 8.370 nan 0.000 0.514 269 D N 0.060 120.467 120.400 0.011 0.000 2.535 269 D HA -0.026 4.614 4.640 -0.000 0.000 0.229 269 D C 0.613 176.942 176.300 0.048 0.000 1.238 269 D CA -0.302 53.708 54.000 0.016 0.000 0.824 269 D CB -0.986 39.859 40.800 0.075 0.000 1.045 269 D HN 0.516 nan 8.370 nan 0.000 0.500 270 Y N -1.796 118.510 120.300 0.009 0.000 2.481 270 Y HA 0.546 5.096 4.550 0.000 0.000 0.247 270 Y C 1.402 177.304 175.900 0.002 0.000 1.151 270 Y CA -0.532 57.573 58.100 0.009 0.000 1.238 270 Y CB 0.242 38.711 38.460 0.015 0.000 1.179 270 Y HN 0.050 nan 8.280 nan 0.000 0.524 271 G N 1.843 110.486 108.800 -0.263 0.000 2.561 271 G HA2 -0.436 3.524 3.960 -0.000 0.000 0.289 271 G HA3 -0.436 3.524 3.960 -0.000 0.000 0.289 271 G C 0.992 175.829 174.900 -0.104 0.000 1.169 271 G CA 1.427 46.437 45.100 -0.150 0.000 0.980 271 G HN 0.874 nan 8.290 nan 0.000 0.550 272 T N -0.692 113.860 114.554 -0.004 0.000 3.086 272 T HA 0.379 4.729 4.350 -0.000 0.000 0.250 272 T C 0.984 175.740 174.700 0.094 0.000 1.074 272 T CA 1.121 63.240 62.100 0.031 0.000 0.988 272 T CB 0.027 68.903 68.868 0.013 0.000 0.988 272 T HN 0.792 nan 8.240 nan 0.000 0.530 273 Q N 2.793 122.679 119.800 0.144 0.000 2.304 273 Q HA 0.140 4.480 4.340 -0.000 0.000 0.315 273 Q C -2.449 173.651 176.000 0.166 0.000 1.075 273 Q CA -1.048 54.846 55.803 0.151 0.000 0.988 273 Q CB -0.263 28.570 28.738 0.158 0.000 1.146 273 Q HN 0.289 nan 8.270 nan 0.000 0.383 274 P HA 0.066 nan 4.420 nan 0.000 0.268 274 P C -0.938 176.345 177.300 -0.030 0.000 1.205 274 P CA 0.094 63.218 63.100 0.040 0.000 0.771 274 P CB 0.602 32.312 31.700 0.015 0.000 0.858 275 R N 3.143 123.610 120.500 -0.055 0.000 2.518 275 R HA 0.557 4.897 4.340 -0.000 0.000 0.287 275 R C -1.753 174.478 176.300 -0.115 0.000 1.135 275 R CA -0.487 55.506 56.100 -0.179 0.000 0.967 275 R CB 0.723 30.750 30.300 -0.454 0.000 1.212 275 R HN 0.394 nan 8.270 nan 0.000 0.422 276 I N 5.364 125.858 120.570 -0.126 0.000 2.534 276 I HA 0.382 4.552 4.170 -0.000 0.000 0.288 276 I C -0.604 175.433 176.117 -0.133 0.000 1.077 276 I CA -0.928 60.316 61.300 -0.094 0.000 1.051 276 I CB 2.233 40.202 38.000 -0.053 0.000 1.234 276 I HN 0.385 nan 8.210 nan 0.000 0.425 277 V N 2.770 122.609 119.914 -0.125 0.000 2.876 277 V HA 0.702 4.822 4.120 -0.000 0.000 0.312 277 V C -0.691 175.368 176.094 -0.059 0.000 1.085 277 V CA -0.805 61.404 62.300 -0.152 0.000 0.945 277 V CB 2.155 33.826 31.823 -0.253 0.000 1.017 277 V HN 0.694 nan 8.190 nan 0.000 0.428 278 R N 2.157 122.635 120.500 -0.036 0.000 2.480 278 R HA 0.707 5.047 4.340 -0.000 0.000 0.306 278 R C -0.727 175.596 176.300 0.039 0.000 0.958 278 R CA -0.785 55.320 56.100 0.008 0.000 0.861 278 R CB 2.393 32.694 30.300 0.003 0.000 1.171 278 R HN 0.989 nan 8.270 nan 0.000 0.445 279 R N 0.905 121.441 120.500 0.060 0.000 2.494 279 R HA 0.469 4.809 4.340 -0.000 0.000 0.305 279 R C -1.388 174.939 176.300 0.044 0.000 0.959 279 R CA -0.596 55.546 56.100 0.071 0.000 0.864 279 R CB 1.542 31.921 30.300 0.132 0.000 1.159 279 R HN 0.237 nan 8.270 nan 0.000 0.446 280 V N 3.030 122.951 119.914 0.011 0.000 2.483 280 V HA 0.487 4.607 4.120 -0.000 0.000 0.295 280 V C -0.174 175.885 176.094 -0.058 0.000 1.035 280 V CA -0.610 61.684 62.300 -0.009 0.000 0.896 280 V CB 1.796 33.614 31.823 -0.010 0.000 0.986 280 V HN 0.912 nan 8.190 nan 0.000 0.447 281 T N 5.686 120.213 114.554 -0.046 0.000 2.823 281 T HA 0.697 5.047 4.350 -0.000 0.000 0.279 281 T C -0.702 173.947 174.700 -0.085 0.000 0.998 281 T CA -0.362 61.691 62.100 -0.078 0.000 0.994 281 T CB 0.641 69.493 68.868 -0.027 0.000 0.960 281 T HN 0.430 nan 8.240 nan 0.000 0.448 282 L N 3.382 124.538 121.223 -0.113 0.000 2.317 282 L HA 0.696 5.036 4.340 -0.000 0.000 0.281 282 L C 0.719 177.531 176.870 -0.097 0.000 1.024 282 L CA -1.261 53.514 54.840 -0.108 0.000 0.810 282 L CB 1.411 43.391 42.059 -0.132 0.000 1.240 282 L HN 0.686 nan 8.230 nan 0.000 0.427 283 A N 1.992 124.758 122.820 -0.090 0.000 2.462 283 A HA 0.586 4.906 4.320 -0.000 0.000 0.243 283 A C 0.457 177.973 177.584 -0.113 0.000 1.076 283 A CA 0.394 52.375 52.037 -0.092 0.000 0.773 283 A CB 0.300 19.253 19.000 -0.079 0.000 1.010 283 A HN 0.842 nan 8.150 nan 0.000 0.493 284 G N 0.798 109.513 108.800 -0.141 0.000 2.932 284 G HA2 0.601 4.561 3.960 -0.000 0.000 0.283 284 G HA3 0.601 4.561 3.960 -0.000 0.000 0.283 284 G C -0.840 173.936 174.900 -0.207 0.000 1.336 284 G CA -0.642 44.341 45.100 -0.194 0.000 1.056 284 G HN 0.708 nan 8.290 nan 0.000 0.522 285 E N -1.066 118.988 120.200 -0.244 0.000 2.254 285 E HA 0.471 4.821 4.350 -0.000 0.000 0.261 285 E C -0.163 176.299 176.600 -0.231 0.000 1.051 285 E CA -0.737 55.544 56.400 -0.199 0.000 0.902 285 E CB 1.333 30.930 29.700 -0.172 0.000 1.168 285 E HN 0.191 nan 8.360 nan 0.000 0.423 286 V N 2.915 122.744 119.914 -0.142 0.000 2.529 286 V HA 0.115 4.235 4.120 -0.000 0.000 0.292 286 V C -2.042 173.987 176.094 -0.109 0.000 1.028 286 V CA -1.247 60.994 62.300 -0.099 0.000 1.074 286 V CB 0.122 31.928 31.823 -0.029 0.000 0.958 286 V HN 0.558 nan 8.190 nan 0.000 0.481 287 P HA 0.106 nan 4.420 nan 0.000 0.265 287 P C -0.736 176.547 177.300 -0.029 0.000 1.193 287 P CA 0.136 63.181 63.100 -0.092 0.000 0.765 287 P CB 0.436 32.116 31.700 -0.032 0.000 0.823 288 V N 3.526 123.410 119.914 -0.050 0.000 2.417 288 V HA 0.553 4.673 4.120 -0.000 0.000 0.291 288 V C 0.996 177.070 176.094 -0.034 0.000 1.024 288 V CA -0.442 61.851 62.300 -0.010 0.000 0.861 288 V CB 1.342 33.156 31.823 -0.015 0.000 0.985 288 V HN 0.718 nan 8.190 nan 0.000 0.436 289 G N 2.471 111.270 108.800 -0.001 0.000 2.621 289 G HA2 0.367 4.327 3.960 -0.000 0.000 0.271 289 G HA3 0.367 4.327 3.960 -0.000 0.000 0.271 289 G C 1.032 175.940 174.900 0.012 0.000 1.236 289 G CA -0.294 44.790 45.100 -0.027 0.000 0.958 289 G HN 0.495 nan 8.290 nan 0.000 0.512 290 V N 0.802 120.722 119.914 0.012 0.000 2.515 290 V HA -0.104 4.016 4.120 -0.000 0.000 0.250 290 V C 2.332 178.459 176.094 0.054 0.000 1.058 290 V CA 2.288 64.598 62.300 0.018 0.000 1.064 290 V CB -0.431 31.406 31.823 0.024 0.000 0.675 290 V HN 0.860 nan 8.190 nan 0.000 0.461 291 D N -0.475 119.982 120.400 0.094 0.000 2.340 291 D HA 0.160 4.800 4.640 -0.000 0.000 0.220 291 D C 1.580 177.935 176.300 0.091 0.000 1.039 291 D CA 0.945 55.004 54.000 0.098 0.000 0.866 291 D CB 0.311 41.188 40.800 0.127 0.000 0.913 291 D HN 0.450 nan 8.370 nan 0.000 0.523 292 G N 0.051 108.906 108.800 0.091 0.000 2.175 292 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.244 292 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.244 292 G C 0.140 175.108 174.900 0.114 0.000 0.982 292 G CA 0.006 45.153 45.100 0.079 0.000 0.641 292 G HN 0.449 nan 8.290 nan 0.000 0.527 293 Q N -0.451 119.461 119.800 0.187 0.000 2.417 293 Q HA 0.631 4.971 4.340 -0.000 0.000 0.241 293 Q C 0.421 176.598 176.000 0.295 0.000 1.008 293 Q CA 0.147 56.099 55.803 0.249 0.000 0.901 293 Q CB 0.822 29.770 28.738 0.350 0.000 1.259 293 Q HN 0.446 nan 8.270 nan 0.000 0.489 294 L N 0.661 122.057 121.223 0.287 0.000 2.334 294 L HA 0.366 4.706 4.340 -0.000 0.000 0.276 294 L C -0.102 176.988 176.870 0.368 0.000 1.014 294 L CA -0.805 54.177 54.840 0.237 0.000 0.815 294 L CB 2.003 44.135 42.059 0.122 0.000 1.268 294 L HN 0.615 nan 8.230 nan 0.000 0.428 295 S N 2.064 117.933 115.700 0.282 0.000 2.566 295 S HA 0.252 4.722 4.470 -0.000 0.000 0.280 295 S C -0.173 174.520 174.600 0.155 0.000 1.343 295 S CA -0.293 58.068 58.200 0.268 0.000 1.036 295 S CB 0.261 63.552 63.200 0.151 0.000 0.866 295 S HN 0.646 nan 8.310 nan 0.000 0.526 296 R N -0.043 120.525 120.500 0.113 0.000 2.522 296 R HA 0.411 4.751 4.340 -0.000 0.000 0.283 296 R C -1.466 174.852 176.300 0.029 0.000 1.074 296 R CA -0.682 55.453 56.100 0.057 0.000 0.925 296 R CB 0.428 30.761 30.300 0.055 0.000 1.205 296 R HN 0.405 nan 8.270 nan 0.000 0.436 297 T N 2.292 116.867 114.554 0.034 0.000 2.870 297 T HA 0.098 4.448 4.350 -0.000 0.000 0.300 297 T C 1.126 175.866 174.700 0.066 0.000 0.989 297 T CA 0.508 62.651 62.100 0.071 0.000 1.139 297 T CB 1.117 70.058 68.868 0.122 0.000 0.920 297 T HN 0.769 nan 8.240 nan 0.000 0.537 298 T N -1.087 113.512 114.554 0.074 0.000 3.004 298 T HA 0.531 4.881 4.350 -0.000 0.000 0.266 298 T C 0.691 175.418 174.700 0.046 0.000 0.986 298 T CA -0.044 62.088 62.100 0.053 0.000 0.902 298 T CB 0.183 69.083 68.868 0.053 0.000 1.118 298 T HN 0.806 nan 8.240 nan 0.000 0.522 299 R N 0.000 120.534 120.500 0.056 0.000 2.786 299 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 299 R CA 0.000 56.114 56.100 0.024 0.000 0.921 299 R CB 0.000 30.318 30.300 0.029 0.000 0.687 299 R HN 0.000 nan 8.270 nan 0.000 0.535