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 3hka_1_B DATA FIRST_RESID 3 DATA SEQUENCE INSREVLAEK VKNAVNNQPV TDMHTHLFSP NFGEILLWDI DELLTYHYLV DATA SEQUENCE AEVMRWTDVS IEAFWAMSKR EQADLIWEEL FIKRSPVSEA CRGVLTCLQG DATA SEQUENCE LGLDPATRDL QVYREYFAKK TSEEQVDTVL QLANVSDVVM TNDPFDDNER DATA SEQUENCE ISWLEGKQPD SRFHAALRLD PLLNEYEQTK HRLRDWGYKV NDEWNEGSIQ DATA SEQUENCE EVKRFLTDWI ERMDPVYMAV SLPPTFSFPE ESNRGRIIRD CLLPVAEKHN DATA SEQUENCE IPFAMMIGVK KRVHPALGDA GDFVGKASMD GVEHLLREYP NNKFLVTMLS DATA SEQUENCE RENQHELVVL ARKFSNLMIF GCWWFMNNPE IINEMTRMRM EMLGTSFIPQ DATA SEQUENCE HSDARVLEQL IYKWHHSKSI IAEVLIDKYD DILQAGWEVT EEEIKRDVAD DATA SEQUENCE LFSRNFWRFV G 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.112 176.117 -0.008 0.000 1.063 3 I CA 0.000 61.286 61.300 -0.023 0.000 1.566 3 I CB 0.000 37.980 38.000 -0.034 0.000 1.214 4 N N 2.491 121.191 118.700 0.001 0.000 2.466 4 N HA 0.331 5.072 4.740 0.002 0.000 0.272 4 N C -0.681 174.840 175.510 0.019 0.000 1.455 4 N CA -0.311 52.746 53.050 0.011 0.000 0.875 4 N CB 1.657 40.146 38.487 0.003 0.000 1.372 4 N HN 0.453 nan 8.380 nan 0.000 0.492 5 S N -0.232 115.482 115.700 0.023 0.000 2.542 5 S HA 0.329 4.800 4.470 0.002 0.000 0.276 5 S C 0.453 175.074 174.600 0.035 0.000 1.148 5 S CA -0.629 57.588 58.200 0.028 0.000 0.886 5 S CB 2.131 65.343 63.200 0.021 0.000 1.109 5 S HN 0.249 nan 8.310 nan 0.000 0.458 6 R N 1.564 122.089 120.500 0.042 0.000 2.083 6 R HA -0.114 4.226 4.340 0.002 0.000 0.237 6 R C 1.324 177.651 176.300 0.045 0.000 1.137 6 R CA 2.493 58.624 56.100 0.051 0.000 0.951 6 R CB -0.318 30.013 30.300 0.052 0.000 0.851 6 R HN 0.727 nan 8.270 nan 0.000 0.434 7 E N -0.263 119.958 120.200 0.035 0.000 2.070 7 E HA -0.182 4.169 4.350 0.002 0.000 0.197 7 E C 1.942 178.558 176.600 0.027 0.000 1.004 7 E CA 1.627 58.045 56.400 0.031 0.000 0.805 7 E CB -0.265 29.449 29.700 0.025 0.000 0.744 7 E HN 0.132 nan 8.360 nan 0.000 0.451 8 V N 0.729 120.656 119.914 0.021 0.000 2.295 8 V HA -0.226 3.895 4.120 0.002 0.000 0.246 8 V C 2.224 178.326 176.094 0.013 0.000 1.049 8 V CA 1.567 63.875 62.300 0.013 0.000 1.024 8 V CB -0.521 31.306 31.823 0.007 0.000 0.648 8 V HN 0.216 nan 8.190 nan 0.000 0.447 9 L N 1.035 122.270 121.223 0.020 0.000 2.012 9 L HA -0.126 4.215 4.340 0.002 0.000 0.210 9 L C 2.489 179.383 176.870 0.041 0.000 1.073 9 L CA 2.460 57.312 54.840 0.020 0.000 0.748 9 L CB -1.067 41.020 42.059 0.047 0.000 0.891 9 L HN 0.223 nan 8.230 nan 0.000 0.431 10 A N -0.769 122.084 122.820 0.055 0.000 1.892 10 A HA -0.323 3.998 4.320 0.002 0.000 0.218 10 A C 2.354 179.967 177.584 0.048 0.000 1.188 10 A CA 2.089 54.163 52.037 0.062 0.000 0.631 10 A CB -0.890 18.143 19.000 0.056 0.000 0.822 10 A HN 0.657 nan 8.150 nan 0.000 0.447 11 E N -0.604 119.615 120.200 0.032 0.000 2.110 11 E HA -0.218 4.133 4.350 0.002 0.000 0.193 11 E C 1.708 178.318 176.600 0.017 0.000 0.988 11 E CA 1.273 57.686 56.400 0.022 0.000 0.804 11 E CB 0.005 29.714 29.700 0.016 0.000 0.745 11 E HN 0.353 nan 8.360 nan 0.000 0.458 12 K N 0.151 120.557 120.400 0.010 0.000 2.155 12 K HA -0.041 4.280 4.320 0.002 0.000 0.203 12 K C 2.141 178.748 176.600 0.012 0.000 1.052 12 K CA 0.599 56.885 56.287 -0.001 0.000 0.948 12 K CB -0.348 32.138 32.500 -0.025 0.000 0.728 12 K HN 0.114 nan 8.250 nan 0.000 0.448 13 V N 1.770 121.707 119.914 0.039 0.000 2.323 13 V HA -0.197 3.924 4.120 0.002 0.000 0.244 13 V C 2.183 178.326 176.094 0.081 0.000 1.041 13 V CA 1.615 63.971 62.300 0.094 0.000 1.025 13 V CB -0.366 31.559 31.823 0.169 0.000 0.656 13 V HN 0.297 nan 8.190 nan 0.000 0.451 14 K N 0.356 120.792 120.400 0.059 0.000 2.097 14 K HA -0.170 4.151 4.320 0.002 0.000 0.206 14 K C 1.921 178.525 176.600 0.006 0.000 1.049 14 K CA 1.844 58.152 56.287 0.035 0.000 0.933 14 K CB -0.354 32.163 32.500 0.029 0.000 0.717 14 K HN 0.584 nan 8.250 nan 0.000 0.442 15 N N 0.613 119.316 118.700 0.006 0.000 2.142 15 N HA -0.136 4.605 4.740 0.002 0.000 0.186 15 N C 1.920 177.418 175.510 -0.019 0.000 1.023 15 N CA 0.777 53.821 53.050 -0.009 0.000 0.852 15 N CB -0.102 38.382 38.487 -0.005 0.000 0.998 15 N HN 0.168 nan 8.380 nan 0.000 0.424 16 A N 0.865 123.685 122.820 -0.001 0.000 1.902 16 A HA -0.079 4.242 4.320 0.002 0.000 0.217 16 A C 2.397 179.963 177.584 -0.030 0.000 1.181 16 A CA 1.112 53.149 52.037 0.001 0.000 0.623 16 A CB -0.679 18.344 19.000 0.039 0.000 0.818 16 A HN 0.091 nan 8.150 nan 0.000 0.443 17 V N 0.983 120.881 119.914 -0.026 0.000 2.358 17 V HA -0.221 3.900 4.120 0.002 0.000 0.246 17 V C 2.230 178.179 176.094 -0.242 0.000 1.047 17 V CA 2.022 64.244 62.300 -0.130 0.000 1.035 17 V CB -0.879 30.931 31.823 -0.021 0.000 0.658 17 V HN 0.556 nan 8.190 nan 0.000 0.452 18 N N 0.804 119.419 118.700 -0.141 0.000 2.188 18 N HA -0.107 4.634 4.740 0.002 0.000 0.184 18 N C 1.566 176.990 175.510 -0.142 0.000 1.018 18 N CA 1.208 54.174 53.050 -0.140 0.000 0.858 18 N CB -0.446 37.992 38.487 -0.083 0.000 0.989 18 N HN 0.499 nan 8.380 nan 0.000 0.426 19 N N 0.919 119.552 118.700 -0.113 0.000 2.416 19 N HA -0.083 4.658 4.740 0.002 0.000 0.177 19 N C 0.477 175.916 175.510 -0.119 0.000 1.036 19 N CA 0.197 53.189 53.050 -0.096 0.000 0.901 19 N CB -0.066 38.385 38.487 -0.060 0.000 0.976 19 N HN 0.289 nan 8.380 nan 0.000 0.444 20 Q N 2.547 122.251 119.800 -0.162 0.000 2.262 20 Q HA 0.155 4.496 4.340 0.002 0.000 0.272 20 Q C -2.576 173.297 176.000 -0.212 0.000 1.076 20 Q CA -1.418 54.287 55.803 -0.163 0.000 0.905 20 Q CB 0.684 29.317 28.738 -0.175 0.000 1.182 20 Q HN 0.008 nan 8.270 nan 0.000 0.390 21 P HA -0.006 nan 4.420 nan 0.000 0.267 21 P C -1.119 176.074 177.300 -0.179 0.000 1.205 21 P CA -0.046 62.964 63.100 -0.151 0.000 0.765 21 P CB 0.791 32.440 31.700 -0.085 0.000 0.828 22 V N 4.250 123.980 119.914 -0.306 0.000 2.481 22 V HA 0.269 4.390 4.120 0.002 0.000 0.286 22 V C 0.537 176.456 176.094 -0.293 0.000 1.042 22 V CA 0.029 62.080 62.300 -0.416 0.000 0.928 22 V CB 1.603 32.838 31.823 -0.979 0.000 0.986 22 V HN 0.448 nan 8.190 nan 0.000 0.462 23 T N 3.297 117.749 114.554 -0.170 0.000 2.801 23 T HA 0.181 4.532 4.350 0.002 0.000 0.306 23 T C -0.314 174.271 174.700 -0.191 0.000 1.020 23 T CA -0.223 61.832 62.100 -0.075 0.000 0.948 23 T CB 0.294 69.227 68.868 0.108 0.000 0.962 23 T HN 0.658 nan 8.240 nan 0.000 0.465 24 D N 4.406 124.725 120.400 -0.135 0.000 2.422 24 D HA 0.125 4.766 4.640 0.002 0.000 0.227 24 D C 1.245 177.438 176.300 -0.179 0.000 1.190 24 D CA -0.525 53.512 54.000 0.062 0.000 0.905 24 D CB 0.892 41.808 40.800 0.193 0.000 1.034 24 D HN 0.449 nan 8.370 nan 0.000 0.507 25 M N 2.043 121.408 119.600 -0.391 0.000 2.686 25 M HA 0.126 4.607 4.480 0.002 0.000 0.246 25 M C -0.105 175.990 176.300 -0.342 0.000 1.096 25 M CA 0.618 55.449 55.300 -0.782 0.000 1.076 25 M CB -0.279 31.363 32.600 -1.596 0.000 1.504 25 M HN 0.211 nan 8.290 nan 0.000 0.524 26 H N -0.057 118.870 119.070 -0.239 0.000 3.240 26 H HA 0.588 5.144 4.556 0.001 0.000 0.329 26 H C -1.246 174.054 175.328 -0.048 0.000 1.024 26 H CA -0.288 55.645 56.048 -0.192 0.000 1.487 26 H CB 0.963 30.492 29.762 -0.390 0.000 1.909 26 H HN 0.351 nan 8.280 nan 0.000 0.465 27 T N 1.180 115.308 114.554 -0.709 0.000 2.787 27 T HA 0.308 4.659 4.350 0.002 0.000 0.297 27 T C -0.618 173.630 174.700 -0.753 0.000 1.221 27 T CA -0.875 60.886 62.100 -0.566 0.000 1.006 27 T CB 1.628 70.356 68.868 -0.234 0.000 1.328 27 T HN 0.679 nan 8.240 nan 0.000 0.509 28 H N 0.539 119.432 119.070 -0.294 0.000 2.481 28 H HA 0.447 5.005 4.556 0.002 0.000 0.273 28 H C -0.315 174.790 175.328 -0.373 0.000 1.145 28 H CA -0.164 55.717 56.048 -0.278 0.000 0.964 28 H CB 0.093 29.811 29.762 -0.073 0.000 1.722 28 H HN 0.324 nan 8.280 nan 0.000 0.573 29 L N 0.217 121.232 121.223 -0.348 0.000 2.358 29 L HA 0.443 4.784 4.340 0.002 0.000 0.268 29 L C -0.553 175.988 176.870 -0.549 0.000 1.032 29 L CA -0.740 53.964 54.840 -0.227 0.000 0.805 29 L CB 1.154 43.236 42.059 0.038 0.000 1.253 29 L HN -0.064 nan 8.230 nan 0.000 0.452 30 F N -0.903 119.032 119.950 -0.025 0.000 2.588 30 F HA 0.301 4.829 4.527 0.002 0.000 0.314 30 F C 0.487 175.755 175.800 -0.887 0.000 1.069 30 F CA -0.687 57.104 58.000 -0.349 0.000 0.931 30 F CB 1.988 40.875 39.000 -0.188 0.000 1.260 30 F HN 0.279 nan 8.300 nan 0.000 0.465 31 S N 3.897 118.803 115.700 -1.322 0.000 2.558 31 S HA 0.058 4.529 4.470 0.002 0.000 0.293 31 S C -1.164 172.994 174.600 -0.735 0.000 1.292 31 S CA -1.001 56.226 58.200 -1.622 0.000 1.063 31 S CB 0.605 63.091 63.200 -1.190 0.000 0.831 31 S HN 0.468 nan 8.310 nan 0.000 0.499 32 P HA -0.187 nan 4.420 nan 0.000 0.217 32 P C 0.865 178.119 177.300 -0.077 0.000 1.148 32 P CA 1.243 64.215 63.100 -0.214 0.000 0.828 32 P CB -0.271 31.322 31.700 -0.180 0.000 0.783 33 N N -0.868 117.803 118.700 -0.050 0.000 2.521 33 N HA -0.102 4.639 4.740 0.002 0.000 0.188 33 N C 1.183 176.771 175.510 0.131 0.000 1.146 33 N CA 0.400 53.471 53.050 0.035 0.000 0.893 33 N CB -1.024 37.475 38.487 0.022 0.000 0.975 33 N HN 0.073 nan 8.380 nan 0.000 0.451 34 F N 0.886 120.726 119.950 -0.183 0.000 2.615 34 F HA 0.272 4.800 4.527 0.001 0.000 0.297 34 F C 1.995 177.703 175.800 -0.154 0.000 1.124 34 F CA 0.410 58.291 58.000 -0.198 0.000 1.451 34 F CB -0.376 38.500 39.000 -0.207 0.000 1.103 34 F HN 0.347 nan 8.300 nan 0.000 0.569 35 G N -0.160 108.687 108.800 0.079 0.000 2.378 35 G HA2 -0.176 3.785 3.960 0.002 0.000 0.198 35 G HA3 -0.176 3.785 3.960 0.002 0.000 0.198 35 G C 0.525 175.470 174.900 0.075 0.000 1.223 35 G CA -0.261 44.863 45.100 0.039 0.000 1.088 35 G HN -0.033 nan 8.290 nan 0.000 0.530 36 E N 0.451 120.687 120.200 0.061 0.000 2.409 36 E HA -0.071 4.280 4.350 0.002 0.000 0.198 36 E C 2.558 179.218 176.600 0.101 0.000 1.024 36 E CA 1.194 57.648 56.400 0.090 0.000 0.861 36 E CB -0.180 29.553 29.700 0.055 0.000 0.788 36 E HN 0.709 nan 8.360 nan 0.000 0.521 37 I N -1.106 119.492 120.570 0.048 0.000 2.700 37 I HA -0.108 4.063 4.170 0.002 0.000 0.261 37 I C 1.078 177.362 176.117 0.278 0.000 1.219 37 I CA 0.202 61.525 61.300 0.039 0.000 1.463 37 I CB -0.383 37.407 38.000 -0.350 0.000 1.092 37 I HN -0.070 nan 8.210 nan 0.000 0.452 38 L N 3.526 124.915 121.223 0.276 0.000 2.295 38 L HA 0.427 4.768 4.340 0.002 0.000 0.288 38 L C -0.394 176.694 176.870 0.363 0.000 1.079 38 L CA -0.224 54.816 54.840 0.334 0.000 0.830 38 L CB 0.299 42.486 42.059 0.212 0.000 1.200 38 L HN 0.107 nan 8.230 nan 0.000 0.438 39 L N 6.631 128.049 121.223 0.324 0.000 2.326 39 L HA 0.543 4.884 4.340 0.002 0.000 0.278 39 L C -0.492 176.591 176.870 0.355 0.000 1.092 39 L CA -0.429 54.571 54.840 0.266 0.000 0.810 39 L CB 0.823 42.989 42.059 0.177 0.000 1.153 39 L HN 0.737 nan 8.230 nan 0.000 0.439 40 W N 2.896 124.206 121.300 0.017 0.000 3.153 40 W HA 0.530 5.191 4.660 0.002 0.000 0.316 40 W C -1.722 174.725 176.519 -0.119 0.000 1.255 40 W CA -1.239 56.096 57.345 -0.017 0.000 1.192 40 W CB 0.815 30.306 29.460 0.051 0.000 1.400 40 W HN 0.698 nan 8.180 nan 0.000 0.568 41 D N -0.688 119.586 120.400 -0.209 0.000 10.523 41 D HA -0.232 4.409 4.640 0.002 0.000 0.327 41 D C -0.348 175.421 176.300 -0.886 0.000 3.161 41 D CA 0.131 53.523 54.000 -1.013 0.000 2.723 41 D CB -0.762 39.425 40.800 -1.022 0.000 1.275 41 D HN 0.438 nan 8.370 nan 0.000 0.957 42 I N 0.577 120.392 120.570 -1.259 0.000 2.248 42 I HA -0.189 3.982 4.170 0.002 0.000 0.248 42 I C 1.512 177.466 176.117 -0.272 0.000 1.107 42 I CA 1.937 62.933 61.300 -0.506 0.000 1.373 42 I CB -0.501 37.358 38.000 -0.235 0.000 1.055 42 I HN 0.467 nan 8.210 nan 0.000 0.418 43 D N 0.194 120.428 120.400 -0.276 0.000 2.149 43 D HA -0.137 4.504 4.640 0.002 0.000 0.201 43 D C 2.006 178.260 176.300 -0.077 0.000 0.972 43 D CA 0.907 54.823 54.000 -0.140 0.000 0.835 43 D CB -0.103 40.614 40.800 -0.139 0.000 0.966 43 D HN 0.427 nan 8.370 nan 0.000 0.476 44 E N 0.679 120.801 120.200 -0.129 0.000 2.106 44 E HA -0.050 4.301 4.350 0.002 0.000 0.192 44 E C 2.521 179.133 176.600 0.021 0.000 0.984 44 E CA 0.142 56.520 56.400 -0.036 0.000 0.806 44 E CB -0.181 29.481 29.700 -0.064 0.000 0.750 44 E HN 0.363 nan 8.360 nan 0.000 0.458 45 L N 0.286 121.489 121.223 -0.033 0.000 2.056 45 L HA -0.133 4.208 4.340 0.002 0.000 0.207 45 L C 2.524 179.474 176.870 0.133 0.000 1.078 45 L CA 0.821 55.669 54.840 0.012 0.000 0.749 45 L CB -0.387 41.662 42.059 -0.017 0.000 0.901 45 L HN 0.098 nan 8.230 nan 0.000 0.433 46 L N -0.476 120.821 121.223 0.124 0.000 2.275 46 L HA -0.119 4.222 4.340 0.002 0.000 0.215 46 L C 2.119 179.154 176.870 0.275 0.000 1.119 46 L CA 1.440 56.413 54.840 0.221 0.000 0.790 46 L CB -0.578 41.585 42.059 0.173 0.000 0.919 46 L HN 0.434 nan 8.230 nan 0.000 0.443 47 T N -4.685 110.020 114.554 0.251 0.000 3.145 47 T HA 0.014 4.365 4.350 0.002 0.000 0.255 47 T C 0.335 175.259 174.700 0.374 0.000 1.039 47 T CA -0.437 61.854 62.100 0.317 0.000 0.928 47 T CB -0.416 68.614 68.868 0.269 0.000 1.029 47 T HN 0.046 nan 8.240 nan 0.000 0.554 48 Y N 4.217 124.623 120.300 0.177 0.000 2.712 48 Y HA 0.101 4.652 4.550 0.001 0.000 0.333 48 Y C 1.592 177.615 175.900 0.205 0.000 1.225 48 Y CA -0.770 57.405 58.100 0.125 0.000 1.499 48 Y CB 0.440 38.913 38.460 0.021 0.000 1.288 48 Y HN 0.525 nan 8.280 nan 0.000 0.575 49 H N 2.862 121.999 119.070 0.112 0.000 2.489 49 H HA -0.208 4.349 4.556 0.001 0.000 0.295 49 H C 1.084 176.444 175.328 0.053 0.000 1.082 49 H CA 2.164 58.276 56.048 0.107 0.000 1.295 49 H CB -0.744 29.101 29.762 0.137 0.000 1.380 49 H HN 0.690 nan 8.280 nan 0.000 0.548 50 Y N 0.497 120.316 120.300 -0.802 0.000 2.165 50 Y HA -0.100 4.451 4.550 0.001 0.000 0.286 50 Y C 2.094 177.954 175.900 -0.067 0.000 1.155 50 Y CA 1.095 58.954 58.100 -0.401 0.000 1.164 50 Y CB -0.453 37.707 38.460 -0.500 0.000 0.978 50 Y HN 0.262 nan 8.280 nan 0.000 0.513 51 L N -1.758 119.571 121.223 0.176 0.000 2.313 51 L HA -0.075 4.266 4.340 0.002 0.000 0.214 51 L C 2.267 179.189 176.870 0.086 0.000 1.119 51 L CA 0.658 55.604 54.840 0.176 0.000 0.809 51 L CB -0.885 41.331 42.059 0.263 0.000 0.933 51 L HN -0.022 nan 8.230 nan 0.000 0.449 52 V N -0.250 119.703 119.914 0.065 0.000 2.358 52 V HA -0.264 3.857 4.120 0.002 0.000 0.246 52 V C 2.684 178.679 176.094 -0.164 0.000 1.047 52 V CA 1.640 63.857 62.300 -0.139 0.000 1.035 52 V CB -1.024 30.773 31.823 -0.045 0.000 0.658 52 V HN 0.473 nan 8.190 nan 0.000 0.452 53 A N -0.391 122.418 122.820 -0.019 0.000 1.902 53 A HA -0.234 4.087 4.320 0.002 0.000 0.217 53 A C 2.183 179.739 177.584 -0.046 0.000 1.181 53 A CA 1.872 53.893 52.037 -0.026 0.000 0.623 53 A CB -0.435 18.596 19.000 0.052 0.000 0.818 53 A HN 0.618 nan 8.150 nan 0.000 0.443 54 E N -0.816 119.382 120.200 -0.003 0.000 2.072 54 E HA -0.100 4.251 4.350 0.002 0.000 0.191 54 E C 1.937 178.561 176.600 0.040 0.000 0.985 54 E CA 1.044 57.453 56.400 0.015 0.000 0.801 54 E CB -0.234 29.503 29.700 0.062 0.000 0.750 54 E HN 0.366 nan 8.360 nan 0.000 0.452 55 V N 1.072 120.995 119.914 0.015 0.000 2.515 55 V HA -0.199 3.922 4.120 0.002 0.000 0.250 55 V C 1.890 177.970 176.094 -0.023 0.000 1.058 55 V CA 1.220 63.541 62.300 0.036 0.000 1.064 55 V CB -0.141 31.665 31.823 -0.029 0.000 0.675 55 V HN 0.303 nan 8.190 nan 0.000 0.461 56 M N -0.621 118.895 119.600 -0.140 0.000 2.549 56 M HA -0.040 4.441 4.480 0.002 0.000 0.260 56 M C 2.006 178.247 176.300 -0.099 0.000 1.076 56 M CA 1.305 56.515 55.300 -0.150 0.000 1.090 56 M CB -1.207 31.269 32.600 -0.206 0.000 1.418 56 M HN 0.337 nan 8.290 nan 0.000 0.486 57 R N -2.320 118.108 120.500 -0.120 0.000 2.276 57 R HA -0.060 4.281 4.340 0.002 0.000 0.196 57 R C 1.420 177.538 176.300 -0.303 0.000 0.961 57 R CA 0.698 56.649 56.100 -0.249 0.000 1.024 57 R CB 0.184 30.262 30.300 -0.370 0.000 0.940 57 R HN 0.435 nan 8.270 nan 0.000 0.480 58 W N -0.741 120.521 121.300 -0.063 0.000 3.298 58 W HA 0.132 4.793 4.660 0.002 0.000 0.239 58 W C 1.068 177.563 176.519 -0.040 0.000 1.082 58 W CA -0.319 56.997 57.345 -0.050 0.000 1.711 58 W CB -0.074 29.356 29.460 -0.050 0.000 0.944 58 W HN -0.237 nan 8.180 nan 0.000 0.712 59 T N 1.075 115.755 114.554 0.211 0.000 2.932 59 T HA -0.036 4.315 4.350 0.002 0.000 0.312 59 T C 0.271 175.014 174.700 0.072 0.000 1.071 59 T CA 0.497 62.666 62.100 0.115 0.000 1.128 59 T CB 0.714 69.625 68.868 0.072 0.000 0.984 59 T HN -0.019 nan 8.240 nan 0.000 0.549 60 D N 1.723 122.163 120.400 0.066 0.000 2.350 60 D HA 0.129 4.770 4.640 0.002 0.000 0.213 60 D C 0.301 176.626 176.300 0.042 0.000 1.031 60 D CA 0.111 54.140 54.000 0.049 0.000 0.861 60 D CB 0.150 40.978 40.800 0.047 0.000 0.926 60 D HN 0.282 nan 8.370 nan 0.000 0.520 61 V N 1.939 121.883 119.914 0.049 0.000 2.521 61 V HA 0.066 4.187 4.120 0.002 0.000 0.286 61 V C 0.877 176.994 176.094 0.038 0.000 1.034 61 V CA -0.644 61.690 62.300 0.057 0.000 1.045 61 V CB 0.847 32.726 31.823 0.094 0.000 0.974 61 V HN 0.236 nan 8.190 nan 0.000 0.480 62 S N 4.880 120.607 115.700 0.045 0.000 2.579 62 S HA 0.133 4.604 4.470 0.002 0.000 0.275 62 S C 1.041 175.660 174.600 0.032 0.000 1.345 62 S CA -0.304 57.920 58.200 0.039 0.000 1.031 62 S CB 0.681 63.913 63.200 0.054 0.000 0.892 62 S HN 0.626 nan 8.310 nan 0.000 0.529 63 I N 1.489 122.063 120.570 0.006 0.000 2.286 63 I HA -0.089 4.082 4.170 0.002 0.000 0.248 63 I C 1.997 178.141 176.117 0.046 0.000 1.115 63 I CA 1.688 62.953 61.300 -0.059 0.000 1.392 63 I CB -0.846 37.142 38.000 -0.020 0.000 1.065 63 I HN 0.819 nan 8.210 nan 0.000 0.418 64 E N 0.974 121.261 120.200 0.144 0.000 2.031 64 E HA -0.140 4.211 4.350 0.002 0.000 0.193 64 E C 2.307 179.010 176.600 0.172 0.000 0.994 64 E CA 1.694 58.220 56.400 0.209 0.000 0.800 64 E CB -0.839 28.953 29.700 0.153 0.000 0.752 64 E HN 0.577 nan 8.360 nan 0.000 0.447 65 A N 0.268 123.156 122.820 0.114 0.000 1.940 65 A HA -0.198 4.123 4.320 0.002 0.000 0.219 65 A C 2.142 179.772 177.584 0.077 0.000 1.176 65 A CA 1.439 53.529 52.037 0.089 0.000 0.631 65 A CB -0.867 18.176 19.000 0.073 0.000 0.814 65 A HN 0.332 nan 8.150 nan 0.000 0.446 66 F N -0.856 119.038 119.950 -0.094 0.000 2.102 66 F HA -0.191 4.337 4.527 0.002 0.000 0.298 66 F C 2.026 177.758 175.800 -0.113 0.000 1.105 66 F CA 1.795 59.678 58.000 -0.194 0.000 1.239 66 F CB -0.496 38.243 39.000 -0.435 0.000 0.991 66 F HN 0.416 nan 8.300 nan 0.000 0.474 67 W N -0.179 121.193 121.300 0.121 0.000 2.465 67 W HA -0.034 4.627 4.660 0.002 0.000 0.268 67 W C 2.390 178.876 176.519 -0.055 0.000 1.242 67 W CA 0.580 57.938 57.345 0.022 0.000 1.248 67 W CB -0.432 29.097 29.460 0.114 0.000 1.118 67 W HN 0.091 nan 8.180 nan 0.000 0.587 68 A N -0.276 122.642 122.820 0.164 0.000 2.119 68 A HA 0.057 4.378 4.320 0.002 0.000 0.216 68 A C 1.143 178.732 177.584 0.008 0.000 1.152 68 A CA 0.333 52.421 52.037 0.086 0.000 0.708 68 A CB -0.473 18.573 19.000 0.078 0.000 0.805 68 A HN 0.089 nan 8.150 nan 0.000 0.460 69 M N 0.912 120.466 119.600 -0.076 0.000 2.226 69 M HA 0.190 4.671 4.480 0.002 0.000 0.324 69 M C 0.952 177.186 176.300 -0.110 0.000 1.112 69 M CA -0.143 55.084 55.300 -0.120 0.000 1.176 69 M CB 0.752 33.216 32.600 -0.227 0.000 1.430 69 M HN 0.392 nan 8.290 nan 0.000 0.462 70 S N 0.665 116.317 115.700 -0.080 0.000 2.624 70 S HA 0.180 4.651 4.470 0.002 0.000 0.263 70 S C 0.753 175.305 174.600 -0.079 0.000 1.287 70 S CA -0.702 57.464 58.200 -0.057 0.000 0.990 70 S CB 1.253 64.430 63.200 -0.038 0.000 0.950 70 S HN 0.734 nan 8.310 nan 0.000 0.561 71 K N 1.212 121.583 120.400 -0.048 0.000 2.044 71 K HA -0.157 4.164 4.320 0.002 0.000 0.210 71 K C 2.355 178.929 176.600 -0.043 0.000 1.049 71 K CA 2.038 58.301 56.287 -0.038 0.000 0.927 71 K CB -0.533 31.953 32.500 -0.024 0.000 0.713 71 K HN 0.753 nan 8.250 nan 0.000 0.443 72 R N 0.512 120.984 120.500 -0.046 0.000 2.096 72 R HA -0.107 4.234 4.340 0.002 0.000 0.235 72 R C 1.927 178.209 176.300 -0.030 0.000 1.127 72 R CA 1.923 57.998 56.100 -0.042 0.000 0.968 72 R CB -0.124 30.149 30.300 -0.044 0.000 0.861 72 R HN 0.384 nan 8.270 nan 0.000 0.440 73 E N 0.073 120.248 120.200 -0.042 0.000 2.072 73 E HA -0.224 4.127 4.350 0.002 0.000 0.191 73 E C 2.175 178.756 176.600 -0.033 0.000 0.985 73 E CA 1.445 57.824 56.400 -0.035 0.000 0.801 73 E CB -0.020 29.648 29.700 -0.053 0.000 0.750 73 E HN 0.531 nan 8.360 nan 0.000 0.452 74 Q N 0.490 120.224 119.800 -0.110 0.000 2.050 74 Q HA -0.145 4.196 4.340 0.002 0.000 0.202 74 Q C 2.311 178.390 176.000 0.132 0.000 0.980 74 Q CA 1.353 57.085 55.803 -0.119 0.000 0.840 74 Q CB -0.239 28.267 28.738 -0.385 0.000 0.898 74 Q HN 0.226 nan 8.270 nan 0.000 0.424 75 A N 1.595 124.469 122.820 0.090 0.000 1.908 75 A HA -0.249 4.072 4.320 0.002 0.000 0.218 75 A C 1.649 179.329 177.584 0.160 0.000 1.181 75 A CA 1.879 53.991 52.037 0.126 0.000 0.627 75 A CB -0.514 18.508 19.000 0.036 0.000 0.818 75 A HN 0.245 nan 8.150 nan 0.000 0.445 76 D N -0.483 119.981 120.400 0.107 0.000 2.097 76 D HA -0.137 4.503 4.640 0.002 0.000 0.195 76 D C 1.875 178.300 176.300 0.210 0.000 0.989 76 D CA 1.391 55.471 54.000 0.133 0.000 0.827 76 D CB -0.490 40.352 40.800 0.071 0.000 0.966 76 D HN 0.330 nan 8.370 nan 0.000 0.456 77 L N 0.894 122.228 121.223 0.185 0.000 1.989 77 L HA -0.128 4.213 4.340 0.002 0.000 0.211 77 L C 2.229 179.243 176.870 0.239 0.000 1.071 77 L CA 1.426 56.386 54.840 0.200 0.000 0.749 77 L CB -0.555 41.637 42.059 0.223 0.000 0.890 77 L HN 0.020 nan 8.230 nan 0.000 0.431 78 I N -1.665 119.082 120.570 0.296 0.000 2.208 78 I HA -0.352 3.819 4.170 0.002 0.000 0.245 78 I C 2.383 178.748 176.117 0.414 0.000 1.097 78 I CA 1.664 63.155 61.300 0.319 0.000 1.363 78 I CB -0.549 37.660 38.000 0.349 0.000 1.051 78 I HN 0.588 nan 8.210 nan 0.000 0.413 79 W N 2.141 123.560 121.300 0.199 0.000 2.354 79 W HA -0.278 4.382 4.660 0.001 0.000 0.315 79 W C 2.440 179.090 176.519 0.218 0.000 1.206 79 W CA 2.078 59.523 57.345 0.166 0.000 1.290 79 W CB -0.111 29.334 29.460 -0.025 0.000 1.152 79 W HN 0.153 nan 8.180 nan 0.000 0.489 80 E N 0.745 121.094 120.200 0.249 0.000 2.051 80 E HA -0.232 4.119 4.350 0.002 0.000 0.192 80 E C 1.973 178.570 176.600 -0.005 0.000 0.991 80 E CA 2.013 58.468 56.400 0.092 0.000 0.799 80 E CB -0.514 29.262 29.700 0.127 0.000 0.748 80 E HN 0.170 nan 8.360 nan 0.000 0.449 81 E N -0.087 120.134 120.200 0.035 0.000 2.046 81 E HA -0.074 4.277 4.350 0.002 0.000 0.190 81 E C 2.191 178.693 176.600 -0.162 0.000 0.982 81 E CA 0.973 57.341 56.400 -0.053 0.000 0.800 81 E CB -0.087 29.636 29.700 0.039 0.000 0.756 81 E HN 0.382 nan 8.360 nan 0.000 0.449 82 L N -1.050 120.137 121.223 -0.060 0.000 2.477 82 L HA 0.127 4.468 4.340 0.002 0.000 0.220 82 L C 1.713 178.295 176.870 -0.480 0.000 1.106 82 L CA 0.241 54.946 54.840 -0.225 0.000 0.851 82 L CB -0.002 41.957 42.059 -0.167 0.000 0.994 82 L HN 0.009 nan 8.230 nan 0.000 0.462 83 F N -1.237 118.482 119.950 -0.384 0.000 2.592 83 F HA 0.158 4.686 4.527 0.001 0.000 0.280 83 F C 2.031 177.538 175.800 -0.489 0.000 1.083 83 F CA 0.034 57.700 58.000 -0.556 0.000 1.365 83 F CB 0.372 38.690 39.000 -1.136 0.000 1.100 83 F HN -0.175 nan 8.300 nan 0.000 0.633 84 I N 0.233 120.650 120.570 -0.256 0.000 2.512 84 I HA -0.036 4.135 4.170 0.002 0.000 0.247 84 I C 1.844 177.854 176.117 -0.178 0.000 1.094 84 I CA 1.093 62.279 61.300 -0.190 0.000 1.427 84 I CB -1.132 36.791 38.000 -0.128 0.000 1.149 84 I HN 0.050 nan 8.210 nan 0.000 0.438 85 K N 0.809 121.081 120.400 -0.213 0.000 2.288 85 K HA -0.032 4.289 4.320 0.002 0.000 0.201 85 K C 0.054 176.441 176.600 -0.354 0.000 1.048 85 K CA 0.663 56.793 56.287 -0.263 0.000 0.956 85 K CB 0.171 32.494 32.500 -0.295 0.000 0.746 85 K HN 0.206 nan 8.250 nan 0.000 0.461 86 R N -0.699 119.576 120.500 -0.374 0.000 2.707 86 R HA 0.227 4.568 4.340 0.002 0.000 0.272 86 R C -1.113 175.023 176.300 -0.274 0.000 1.011 86 R CA -0.459 55.425 56.100 -0.360 0.000 0.893 86 R CB 1.770 31.757 30.300 -0.522 0.000 1.233 86 R HN -0.157 nan 8.270 nan 0.000 0.464 87 S N 3.464 119.044 115.700 -0.199 0.000 2.549 87 S HA 0.159 4.630 4.470 0.002 0.000 0.283 87 S C -1.911 172.548 174.600 -0.235 0.000 1.320 87 S CA -0.617 57.477 58.200 -0.177 0.000 1.058 87 S CB 0.499 63.632 63.200 -0.111 0.000 0.882 87 S HN 0.450 nan 8.310 nan 0.000 0.498 88 P HA 0.094 nan 4.420 nan 0.000 0.226 88 P C 0.765 177.916 177.300 -0.249 0.000 1.783 88 P CA -0.147 62.672 63.100 -0.468 0.000 0.980 88 P CB -0.438 30.853 31.700 -0.681 0.000 1.967 89 V N -0.613 119.202 119.914 -0.165 0.000 3.235 89 V HA 0.007 4.128 4.120 0.002 0.000 0.259 89 V C 1.193 177.247 176.094 -0.066 0.000 1.133 89 V CA 0.510 62.755 62.300 -0.092 0.000 1.128 89 V CB -1.298 30.491 31.823 -0.057 0.000 0.757 89 V HN 0.381 nan 8.190 nan 0.000 0.469 90 S N 0.605 116.262 115.700 -0.072 0.000 2.576 90 S HA 0.102 4.573 4.470 0.002 0.000 0.272 90 S C 1.098 175.699 174.600 0.002 0.000 1.352 90 S CA 0.615 58.804 58.200 -0.018 0.000 1.021 90 S CB 1.301 64.499 63.200 -0.003 0.000 0.887 90 S HN 0.517 nan 8.310 nan 0.000 0.542 91 E N 2.283 122.521 120.200 0.063 0.000 2.085 91 E HA -0.128 4.223 4.350 0.002 0.000 0.194 91 E C 2.062 178.722 176.600 0.100 0.000 0.994 91 E CA 2.007 58.474 56.400 0.112 0.000 0.801 91 E CB -0.974 28.841 29.700 0.192 0.000 0.743 91 E HN 0.829 nan 8.360 nan 0.000 0.453 92 A N -0.260 122.652 122.820 0.153 0.000 1.933 92 A HA -0.175 4.146 4.320 0.002 0.000 0.218 92 A C 2.586 180.180 177.584 0.018 0.000 1.175 92 A CA 1.487 53.617 52.037 0.156 0.000 0.628 92 A CB -0.948 18.255 19.000 0.338 0.000 0.814 92 A HN 0.506 nan 8.150 nan 0.000 0.444 93 C N -1.242 118.049 119.300 -0.015 0.000 2.466 93 C HA 0.003 4.464 4.460 0.002 0.000 0.278 93 C C 2.798 177.780 174.990 -0.013 0.000 1.288 93 C CA 0.973 59.937 59.018 -0.090 0.000 1.722 93 C CB -1.126 26.326 27.740 -0.480 0.000 2.017 93 C HN 0.721 nan 8.230 nan 0.000 0.488 94 R N 1.169 121.636 120.500 -0.056 0.000 2.091 94 R HA -0.116 4.225 4.340 0.002 0.000 0.238 94 R C 2.232 178.520 176.300 -0.020 0.000 1.136 94 R CA 2.072 58.164 56.100 -0.014 0.000 0.959 94 R CB -0.782 29.500 30.300 -0.031 0.000 0.856 94 R HN 0.544 nan 8.270 nan 0.000 0.437 95 G N 0.374 109.010 108.800 -0.273 0.000 2.442 95 G HA2 -0.214 3.747 3.960 0.002 0.000 0.219 95 G HA3 -0.214 3.747 3.960 0.002 0.000 0.219 95 G C 1.456 175.996 174.900 -0.601 0.000 1.141 95 G CA 0.902 45.343 45.100 -1.097 0.000 0.763 95 G HN 0.237 nan 8.290 nan 0.000 0.554 96 V N 1.087 120.867 119.914 -0.223 0.000 2.295 96 V HA -0.160 3.961 4.120 0.002 0.000 0.246 96 V C 2.934 179.053 176.094 0.042 0.000 1.049 96 V CA 1.617 63.931 62.300 0.023 0.000 1.024 96 V CB -0.481 31.493 31.823 0.251 0.000 0.648 96 V HN 0.367 nan 8.190 nan 0.000 0.447 97 L N -0.450 120.835 121.223 0.103 0.000 2.046 97 L HA -0.185 4.156 4.340 0.002 0.000 0.208 97 L C 2.624 179.498 176.870 0.007 0.000 1.077 97 L CA 1.984 56.869 54.840 0.076 0.000 0.747 97 L CB -1.198 40.938 42.059 0.129 0.000 0.896 97 L HN 0.330 nan 8.230 nan 0.000 0.432 98 T N -0.900 113.660 114.554 0.010 0.000 2.759 98 T HA -0.194 4.157 4.350 0.002 0.000 0.269 98 T C 2.055 176.745 174.700 -0.015 0.000 1.042 98 T CA 1.520 63.615 62.100 -0.009 0.000 1.140 98 T CB -0.333 68.582 68.868 0.078 0.000 0.864 98 T HN 0.404 nan 8.240 nan 0.000 0.455 99 C N 0.824 120.136 119.300 0.019 0.000 2.453 99 C HA 0.085 4.546 4.460 0.002 0.000 0.277 99 C C 2.674 177.659 174.990 -0.008 0.000 1.262 99 C CA 0.223 59.270 59.018 0.049 0.000 1.718 99 C CB -1.367 26.432 27.740 0.099 0.000 2.031 99 C HN 0.520 nan 8.230 nan 0.000 0.480 100 L N 0.519 121.701 121.223 -0.068 0.000 1.989 100 L HA -0.276 4.065 4.340 0.002 0.000 0.211 100 L C 2.800 179.565 176.870 -0.176 0.000 1.071 100 L CA 1.970 56.696 54.840 -0.191 0.000 0.749 100 L CB -0.931 40.906 42.059 -0.369 0.000 0.890 100 L HN 0.481 nan 8.230 nan 0.000 0.431 101 Q N 0.042 119.775 119.800 -0.111 0.000 2.061 101 Q HA -0.196 4.145 4.340 0.002 0.000 0.204 101 Q C 2.165 178.130 176.000 -0.059 0.000 0.984 101 Q CA 1.863 57.621 55.803 -0.073 0.000 0.846 101 Q CB -0.318 28.396 28.738 -0.041 0.000 0.902 101 Q HN 0.539 nan 8.270 nan 0.000 0.421 102 G N 0.737 109.513 108.800 -0.039 0.000 2.450 102 G HA2 -0.207 3.754 3.960 0.002 0.000 0.220 102 G HA3 -0.207 3.754 3.960 0.002 0.000 0.220 102 G C 1.238 176.119 174.900 -0.032 0.000 1.130 102 G CA 0.599 45.696 45.100 -0.006 0.000 0.760 102 G HN 0.342 nan 8.290 nan 0.000 0.557 103 L N 0.047 121.212 121.223 -0.098 0.000 2.599 103 L HA 0.255 4.596 4.340 0.002 0.000 0.230 103 L C 2.108 178.818 176.870 -0.267 0.000 1.141 103 L CA 0.520 55.242 54.840 -0.197 0.000 0.877 103 L CB 0.122 41.958 42.059 -0.373 0.000 1.009 103 L HN 0.398 nan 8.230 nan 0.000 0.447 104 G N -0.245 108.451 108.800 -0.172 0.000 2.176 104 G HA2 -0.230 3.731 3.960 0.002 0.000 0.232 104 G HA3 -0.230 3.731 3.960 0.002 0.000 0.232 104 G C 0.264 175.083 174.900 -0.135 0.000 0.986 104 G CA -0.326 44.699 45.100 -0.126 0.000 0.643 104 G HN 0.169 nan 8.290 nan 0.000 0.522 105 L N 0.569 121.665 121.223 -0.211 0.000 2.456 105 L HA 0.607 4.947 4.340 0.002 0.000 0.257 105 L C 0.098 176.937 176.870 -0.052 0.000 1.162 105 L CA -0.512 54.251 54.840 -0.129 0.000 0.808 105 L CB 0.836 42.739 42.059 -0.260 0.000 1.136 105 L HN 0.149 nan 8.230 nan 0.000 0.466 106 D N 0.733 121.189 120.400 0.094 0.000 2.453 106 D HA 0.300 4.941 4.640 0.002 0.000 0.238 106 D C -1.959 174.460 176.300 0.199 0.000 1.088 106 D CA -1.928 52.135 54.000 0.104 0.000 0.854 106 D CB 1.840 42.701 40.800 0.101 0.000 1.076 106 D HN 0.074 nan 8.370 nan 0.000 0.533 107 P HA -0.094 nan 4.420 nan 0.000 0.221 107 P C 1.030 178.470 177.300 0.234 0.000 1.145 107 P CA 0.963 64.179 63.100 0.193 0.000 0.795 107 P CB 0.264 32.026 31.700 0.104 0.000 0.775 108 A N -0.211 122.704 122.820 0.159 0.000 1.940 108 A HA -0.230 4.091 4.320 0.002 0.000 0.219 108 A C 2.252 179.921 177.584 0.142 0.000 1.176 108 A CA 2.555 54.667 52.037 0.126 0.000 0.631 108 A CB -1.905 17.147 19.000 0.087 0.000 0.814 108 A HN 0.361 nan 8.150 nan 0.000 0.446 109 T N -4.147 110.508 114.554 0.168 0.000 2.985 109 T HA -0.016 4.335 4.350 0.002 0.000 0.266 109 T C 0.980 175.768 174.700 0.146 0.000 1.076 109 T CA 0.747 62.919 62.100 0.121 0.000 1.135 109 T CB -0.349 68.559 68.868 0.066 0.000 0.890 109 T HN 0.582 nan 8.240 nan 0.000 0.480 110 R N 0.938 121.620 120.500 0.304 0.000 3.758 110 R HA -0.125 4.216 4.340 0.002 0.000 0.299 110 R C -0.872 175.505 176.300 0.128 0.000 1.182 110 R CA 0.780 57.152 56.100 0.453 0.000 0.809 110 R CB -2.194 28.335 30.300 0.382 0.000 1.249 110 R HN 0.439 nan 8.270 nan 0.000 0.497 111 D N 1.026 121.224 120.400 -0.337 0.000 2.522 111 D HA 0.066 4.707 4.640 0.002 0.000 0.218 111 D C 1.084 176.667 176.300 -1.194 0.000 1.149 111 D CA -0.246 53.389 54.000 -0.609 0.000 0.981 111 D CB 0.642 41.169 40.800 -0.456 0.000 1.041 111 D HN 0.076 nan 8.370 nan 0.000 0.518 112 L N 3.234 123.959 121.223 -0.831 0.000 2.043 112 L HA -0.211 4.130 4.340 0.002 0.000 0.212 112 L C 1.943 178.542 176.870 -0.452 0.000 1.075 112 L CA 1.829 56.219 54.840 -0.749 0.000 0.752 112 L CB -0.261 41.277 42.059 -0.869 0.000 0.891 112 L HN 0.330 nan 8.230 nan 0.000 0.432 113 Q N -0.735 118.854 119.800 -0.352 0.000 2.061 113 Q HA -0.148 4.193 4.340 0.002 0.000 0.204 113 Q C 2.363 178.264 176.000 -0.165 0.000 0.984 113 Q CA 1.933 57.616 55.803 -0.201 0.000 0.846 113 Q CB -0.775 27.872 28.738 -0.151 0.000 0.902 113 Q HN 0.488 nan 8.270 nan 0.000 0.421 114 V N 0.444 120.204 119.914 -0.257 0.000 2.427 114 V HA -0.242 3.879 4.120 0.002 0.000 0.248 114 V C 2.018 178.098 176.094 -0.022 0.000 1.051 114 V CA 1.468 63.673 62.300 -0.157 0.000 1.048 114 V CB -0.775 30.927 31.823 -0.202 0.000 0.666 114 V HN 0.239 nan 8.190 nan 0.000 0.456 115 Y N 0.919 121.200 120.300 -0.032 0.000 2.181 115 Y HA -0.178 4.373 4.550 0.002 0.000 0.288 115 Y C 2.638 178.660 175.900 0.203 0.000 1.146 115 Y CA 1.077 59.196 58.100 0.031 0.000 1.164 115 Y CB -0.962 37.480 38.460 -0.029 0.000 0.982 115 Y HN 0.180 nan 8.280 nan 0.000 0.515 116 R N 0.258 120.924 120.500 0.276 0.000 2.096 116 R HA -0.159 4.182 4.340 0.002 0.000 0.235 116 R C 2.038 178.485 176.300 0.244 0.000 1.127 116 R CA 1.528 57.795 56.100 0.278 0.000 0.968 116 R CB -0.324 30.019 30.300 0.073 0.000 0.861 116 R HN 0.486 nan 8.270 nan 0.000 0.440 117 E N -0.375 119.906 120.200 0.136 0.000 2.204 117 E HA -0.248 4.103 4.350 0.002 0.000 0.195 117 E C 1.534 178.184 176.600 0.082 0.000 0.990 117 E CA 1.116 57.566 56.400 0.083 0.000 0.821 117 E CB -0.162 29.563 29.700 0.042 0.000 0.750 117 E HN 0.391 nan 8.360 nan 0.000 0.477 118 Y N 0.526 120.794 120.300 -0.053 0.000 2.145 118 Y HA -0.267 4.284 4.550 0.001 0.000 0.286 118 Y C 1.708 177.465 175.900 -0.237 0.000 1.145 118 Y CA 1.705 59.670 58.100 -0.224 0.000 1.148 118 Y CB -0.305 37.878 38.460 -0.462 0.000 0.981 118 Y HN -0.061 nan 8.280 nan 0.000 0.507 119 F N -0.093 119.919 119.950 0.103 0.000 2.259 119 F HA 0.017 4.544 4.527 0.001 0.000 0.298 119 F C 2.556 178.361 175.800 0.008 0.000 1.088 119 F CA 0.856 58.898 58.000 0.070 0.000 1.358 119 F CB -1.073 37.971 39.000 0.073 0.000 1.040 119 F HN 0.127 nan 8.300 nan 0.000 0.505 120 A N 0.182 123.081 122.820 0.131 0.000 2.070 120 A HA -0.140 4.181 4.320 0.002 0.000 0.220 120 A C 1.726 179.337 177.584 0.045 0.000 1.159 120 A CA 1.117 53.192 52.037 0.062 0.000 0.656 120 A CB -0.610 18.413 19.000 0.038 0.000 0.800 120 A HN 0.351 nan 8.150 nan 0.000 0.453 121 K N -0.512 119.884 120.400 -0.006 0.000 2.684 121 K HA 0.259 4.580 4.320 0.002 0.000 0.215 121 K C -0.149 176.426 176.600 -0.042 0.000 1.073 121 K CA 0.044 56.312 56.287 -0.032 0.000 1.197 121 K CB 0.183 32.641 32.500 -0.070 0.000 0.955 121 K HN 0.294 nan 8.250 nan 0.000 0.473 122 K N 0.707 121.138 120.400 0.051 0.000 2.536 122 K HA 0.207 4.528 4.320 0.002 0.000 0.269 122 K C -0.752 175.969 176.600 0.202 0.000 0.965 122 K CA -0.587 55.735 56.287 0.059 0.000 0.860 122 K CB 1.890 34.376 32.500 -0.023 0.000 1.423 122 K HN 0.063 nan 8.250 nan 0.000 0.438 123 T N -1.571 113.012 114.554 0.049 0.000 2.936 123 T HA 0.178 4.529 4.350 0.002 0.000 0.282 123 T C 1.292 175.857 174.700 -0.225 0.000 1.003 123 T CA -0.004 62.126 62.100 0.049 0.000 1.005 123 T CB 1.449 70.316 68.868 -0.001 0.000 1.097 123 T HN 0.604 nan 8.240 nan 0.000 0.532 124 S N 0.796 116.373 115.700 -0.205 0.000 2.368 124 S HA -0.180 4.291 4.470 0.002 0.000 0.225 124 S C 1.705 176.030 174.600 -0.458 0.000 1.030 124 S CA 1.083 58.910 58.200 -0.621 0.000 0.999 124 S CB -0.721 62.349 63.200 -0.216 0.000 0.844 124 S HN 0.839 nan 8.310 nan 0.000 0.459 125 E N 2.046 122.109 120.200 -0.228 0.000 2.110 125 E HA -0.178 4.173 4.350 0.002 0.000 0.193 125 E C 1.936 178.442 176.600 -0.157 0.000 0.988 125 E CA 1.347 57.654 56.400 -0.155 0.000 0.804 125 E CB -0.671 28.976 29.700 -0.088 0.000 0.745 125 E HN 0.770 nan 8.360 nan 0.000 0.458 126 E N 0.811 120.908 120.200 -0.173 0.000 2.051 126 E HA -0.226 4.125 4.350 0.002 0.000 0.192 126 E C 2.200 178.698 176.600 -0.170 0.000 0.991 126 E CA 1.369 57.684 56.400 -0.142 0.000 0.799 126 E CB -0.110 29.516 29.700 -0.123 0.000 0.748 126 E HN 0.110 nan 8.360 nan 0.000 0.449 127 Q N 0.918 120.531 119.800 -0.311 0.000 2.124 127 Q HA -0.136 4.205 4.340 0.002 0.000 0.202 127 Q C 2.074 177.974 176.000 -0.167 0.000 0.977 127 Q CA 1.189 56.826 55.803 -0.276 0.000 0.850 127 Q CB -0.186 28.182 28.738 -0.616 0.000 0.901 127 Q HN 0.102 nan 8.270 nan 0.000 0.429 128 V N 1.236 121.031 119.914 -0.198 0.000 2.287 128 V HA -0.283 3.838 4.120 0.002 0.000 0.248 128 V C 1.737 177.817 176.094 -0.025 0.000 1.053 128 V CA 2.236 64.498 62.300 -0.065 0.000 1.027 128 V CB -0.641 31.175 31.823 -0.011 0.000 0.646 128 V HN 0.450 nan 8.190 nan 0.000 0.447 129 D N -0.377 119.999 120.400 -0.040 0.000 2.117 129 D HA -0.128 4.513 4.640 0.002 0.000 0.197 129 D C 2.233 178.523 176.300 -0.017 0.000 0.987 129 D CA 1.842 55.827 54.000 -0.025 0.000 0.829 129 D CB -0.378 40.404 40.800 -0.030 0.000 0.961 129 D HN 0.419 nan 8.370 nan 0.000 0.460 130 T N 1.078 115.624 114.554 -0.013 0.000 2.643 130 T HA -0.104 4.247 4.350 0.002 0.000 0.264 130 T C 2.344 177.064 174.700 0.033 0.000 1.045 130 T CA 1.004 63.116 62.100 0.020 0.000 1.155 130 T CB -0.458 68.440 68.868 0.050 0.000 0.863 130 T HN -0.044 nan 8.240 nan 0.000 0.420 131 V N 1.667 121.606 119.914 0.041 0.000 2.295 131 V HA -0.118 4.003 4.120 0.002 0.000 0.246 131 V C 2.560 178.667 176.094 0.022 0.000 1.049 131 V CA 1.507 63.839 62.300 0.053 0.000 1.024 131 V CB -0.777 31.089 31.823 0.072 0.000 0.648 131 V HN 0.432 nan 8.190 nan 0.000 0.447 132 L N -0.117 121.103 121.223 -0.005 0.000 2.127 132 L HA -0.258 4.083 4.340 0.002 0.000 0.211 132 L C 2.649 179.493 176.870 -0.044 0.000 1.089 132 L CA 1.939 56.754 54.840 -0.042 0.000 0.757 132 L CB -0.613 41.405 42.059 -0.068 0.000 0.899 132 L HN 0.486 nan 8.230 nan 0.000 0.434 133 Q N 0.671 120.457 119.800 -0.024 0.000 2.016 133 Q HA -0.189 4.152 4.340 0.002 0.000 0.200 133 Q C 2.396 178.387 176.000 -0.013 0.000 0.978 133 Q CA 1.400 57.190 55.803 -0.023 0.000 0.833 133 Q CB -0.036 28.696 28.738 -0.011 0.000 0.895 133 Q HN 0.515 nan 8.270 nan 0.000 0.427 134 L N 0.407 121.636 121.223 0.010 0.000 2.046 134 L HA -0.136 4.205 4.340 0.002 0.000 0.208 134 L C 2.452 179.341 176.870 0.031 0.000 1.077 134 L CA 1.182 56.039 54.840 0.028 0.000 0.747 134 L CB -0.479 41.610 42.059 0.049 0.000 0.896 134 L HN 0.274 nan 8.230 nan 0.000 0.432 135 A N -1.019 121.816 122.820 0.025 0.000 2.208 135 A HA -0.110 4.211 4.320 0.002 0.000 0.209 135 A C 1.094 178.632 177.584 -0.076 0.000 1.161 135 A CA 0.503 52.558 52.037 0.029 0.000 0.782 135 A CB -0.668 18.376 19.000 0.073 0.000 0.816 135 A HN 0.669 nan 8.150 nan 0.000 0.477 136 N N -1.080 117.566 118.700 -0.089 0.000 2.727 136 N HA -0.145 4.596 4.740 0.002 0.000 0.249 136 N C -0.996 174.382 175.510 -0.220 0.000 1.048 136 N CA 0.182 53.150 53.050 -0.138 0.000 0.714 136 N CB -0.835 37.565 38.487 -0.146 0.000 0.959 136 N HN 0.142 nan 8.380 nan 0.000 0.544 137 V N 1.902 121.690 119.914 -0.210 0.000 2.350 137 V HA 0.170 4.291 4.120 0.002 0.000 0.276 137 V C 1.353 177.338 176.094 -0.182 0.000 1.028 137 V CA 0.292 62.432 62.300 -0.267 0.000 0.860 137 V CB 1.480 33.150 31.823 -0.254 0.000 0.990 137 V HN 0.475 nan 8.190 nan 0.000 0.453 138 S N 2.411 118.020 115.700 -0.150 0.000 2.439 138 S HA 0.148 4.619 4.470 0.002 0.000 0.224 138 S C 0.371 174.938 174.600 -0.056 0.000 1.029 138 S CA 0.103 58.249 58.200 -0.089 0.000 0.946 138 S CB 0.260 63.428 63.200 -0.052 0.000 0.797 138 S HN 0.715 nan 8.310 nan 0.000 0.504 139 D N 0.572 120.960 120.400 -0.020 0.000 2.879 139 D HA 0.530 5.171 4.640 0.002 0.000 0.236 139 D C -1.639 174.650 176.300 -0.019 0.000 1.171 139 D CA -0.349 53.707 54.000 0.093 0.000 0.868 139 D CB 2.717 43.760 40.800 0.404 0.000 1.598 139 D HN 0.035 nan 8.370 nan 0.000 0.497 140 V N 1.909 121.764 119.914 -0.099 0.000 2.487 140 V HA 0.268 4.389 4.120 0.002 0.000 0.298 140 V C 0.086 176.176 176.094 -0.006 0.000 1.028 140 V CA -0.778 61.415 62.300 -0.178 0.000 0.860 140 V CB 2.043 33.570 31.823 -0.495 0.000 0.991 140 V HN 0.309 nan 8.190 nan 0.000 0.427 141 V N 6.528 126.408 119.914 -0.056 0.000 2.432 141 V HA 0.431 4.551 4.120 0.002 0.000 0.275 141 V C 0.372 176.410 176.094 -0.093 0.000 1.043 141 V CA -0.214 62.058 62.300 -0.046 0.000 0.925 141 V CB 1.333 33.038 31.823 -0.197 0.000 0.985 141 V HN 0.819 nan 8.190 nan 0.000 0.466 142 M N 2.732 122.307 119.600 -0.043 0.000 2.363 142 M HA 0.440 4.921 4.480 0.002 0.000 0.280 142 M C 0.016 176.236 176.300 -0.133 0.000 1.182 142 M CA -0.299 54.918 55.300 -0.139 0.000 0.974 142 M CB 1.062 33.628 32.600 -0.058 0.000 1.452 142 M HN 0.456 nan 8.290 nan 0.000 0.507 143 T N 1.559 116.012 114.554 -0.169 0.000 2.912 143 T HA 0.393 4.744 4.350 0.002 0.000 0.326 143 T C -1.081 173.743 174.700 0.207 0.000 1.080 143 T CA -0.743 61.358 62.100 0.001 0.000 1.000 143 T CB -0.174 68.663 68.868 -0.051 0.000 1.008 143 T HN 0.512 nan 8.240 nan 0.000 0.473 144 N N 2.522 121.358 118.700 0.227 0.000 2.444 144 N HA 0.396 5.137 4.740 0.002 0.000 0.262 144 N C -1.189 174.415 175.510 0.156 0.000 0.974 144 N CA -0.815 52.437 53.050 0.336 0.000 0.933 144 N CB 1.266 39.942 38.487 0.315 0.000 1.137 144 N HN 0.429 nan 8.380 nan 0.000 0.498 145 D N 2.581 123.110 120.400 0.216 0.000 2.454 145 D HA 0.206 4.847 4.640 0.002 0.000 0.225 145 D C -1.812 174.462 176.300 -0.043 0.000 1.081 145 D CA -2.463 51.620 54.000 0.138 0.000 0.864 145 D CB 1.183 42.141 40.800 0.263 0.000 1.040 145 D HN 0.294 nan 8.370 nan 0.000 0.517 146 P HA -0.031 nan 4.420 nan 0.000 0.239 146 P C 0.376 177.227 177.300 -0.748 0.000 1.184 146 P CA 0.308 62.802 63.100 -1.009 0.000 0.760 146 P CB -0.130 30.229 31.700 -2.235 0.000 0.884 147 F N -0.380 119.545 119.950 -0.041 0.000 2.695 147 F HA 0.210 4.738 4.527 0.001 0.000 0.303 147 F C 1.084 177.005 175.800 0.200 0.000 1.091 147 F CA -0.315 57.811 58.000 0.209 0.000 1.300 147 F CB 0.161 39.276 39.000 0.192 0.000 1.071 147 F HN -0.099 nan 8.300 nan 0.000 0.578 148 D N 0.570 121.111 120.400 0.234 0.000 2.280 148 D HA 0.022 4.663 4.640 0.002 0.000 0.236 148 D C 0.450 176.838 176.300 0.147 0.000 1.082 148 D CA -0.068 54.050 54.000 0.196 0.000 0.834 148 D CB 1.210 42.112 40.800 0.172 0.000 1.100 148 D HN 0.024 nan 8.370 nan 0.000 0.486 149 D N 3.588 124.086 120.400 0.163 0.000 2.133 149 D HA -0.211 4.430 4.640 0.002 0.000 0.192 149 D C 1.274 177.620 176.300 0.077 0.000 1.001 149 D CA 1.452 55.533 54.000 0.135 0.000 0.844 149 D CB 0.125 41.006 40.800 0.136 0.000 0.944 149 D HN 0.529 nan 8.370 nan 0.000 0.447 150 N N 1.038 119.771 118.700 0.055 0.000 2.043 150 N HA -0.139 4.602 4.740 0.002 0.000 0.193 150 N C 1.685 177.182 175.510 -0.021 0.000 1.037 150 N CA 1.096 54.150 53.050 0.006 0.000 0.851 150 N CB -0.321 38.161 38.487 -0.009 0.000 1.027 150 N HN 0.385 nan 8.380 nan 0.000 0.422 151 E N 0.237 120.445 120.200 0.014 0.000 2.150 151 E HA -0.116 4.235 4.350 0.002 0.000 0.193 151 E C 1.961 178.663 176.600 0.170 0.000 0.985 151 E CA 0.466 56.902 56.400 0.060 0.000 0.814 151 E CB -0.072 29.730 29.700 0.170 0.000 0.752 151 E HN 0.296 nan 8.360 nan 0.000 0.466 152 R N 0.797 121.378 120.500 0.135 0.000 2.127 152 R HA -0.139 4.202 4.340 0.002 0.000 0.238 152 R C 2.278 178.661 176.300 0.137 0.000 1.134 152 R CA 0.922 57.125 56.100 0.172 0.000 0.975 152 R CB -0.165 30.166 30.300 0.052 0.000 0.865 152 R HN 0.164 nan 8.270 nan 0.000 0.447 153 I N -0.450 120.133 120.570 0.023 0.000 2.069 153 I HA -0.382 3.789 4.170 0.002 0.000 0.237 153 I C 2.511 178.542 176.117 -0.144 0.000 1.053 153 I CA 1.699 62.968 61.300 -0.051 0.000 1.311 153 I CB -0.707 37.244 38.000 -0.081 0.000 1.030 153 I HN 0.246 nan 8.210 nan 0.000 0.398 154 S N 0.262 115.771 115.700 -0.319 0.000 2.378 154 S HA -0.275 4.196 4.470 0.002 0.000 0.229 154 S C 1.824 176.076 174.600 -0.580 0.000 1.052 154 S CA 2.151 59.954 58.200 -0.662 0.000 1.084 154 S CB -0.631 61.779 63.200 -1.317 0.000 0.950 154 S HN 0.467 nan 8.310 nan 0.000 0.440 155 W N 1.128 122.322 121.300 -0.176 0.000 2.388 155 W HA 0.186 4.847 4.660 0.002 0.000 0.294 155 W C 2.263 178.709 176.519 -0.121 0.000 1.212 155 W CA 0.223 57.524 57.345 -0.074 0.000 1.271 155 W CB -0.449 29.099 29.460 0.147 0.000 1.126 155 W HN 0.276 nan 8.180 nan 0.000 0.535 156 L N 0.105 121.386 121.223 0.096 0.000 2.217 156 L HA -0.103 4.238 4.340 0.002 0.000 0.211 156 L C 1.759 178.595 176.870 -0.056 0.000 1.107 156 L CA 1.155 55.985 54.840 -0.016 0.000 0.783 156 L CB -0.625 41.431 42.059 -0.006 0.000 0.919 156 L HN 0.052 nan 8.230 nan 0.000 0.442 157 E N 0.041 120.191 120.200 -0.084 0.000 2.502 157 E HA 0.014 4.365 4.350 0.002 0.000 0.194 157 E C 1.393 177.929 176.600 -0.107 0.000 1.062 157 E CA 0.441 56.780 56.400 -0.102 0.000 0.867 157 E CB 0.137 29.757 29.700 -0.134 0.000 0.888 157 E HN 0.533 nan 8.360 nan 0.000 0.510 158 G N 2.726 111.468 108.800 -0.097 0.000 2.168 158 G HA2 -0.369 3.592 3.960 0.002 0.000 0.263 158 G HA3 -0.369 3.592 3.960 0.002 0.000 0.263 158 G C 0.318 175.149 174.900 -0.116 0.000 0.977 158 G CA 0.531 45.585 45.100 -0.077 0.000 0.659 158 G HN 0.271 nan 8.290 nan 0.000 0.533 159 K N 0.816 121.087 120.400 -0.216 0.000 2.412 159 K HA 0.269 4.590 4.320 0.002 0.000 0.284 159 K C 0.347 176.784 176.600 -0.272 0.000 1.046 159 K CA -0.090 56.039 56.287 -0.263 0.000 0.999 159 K CB 0.247 32.510 32.500 -0.396 0.000 0.941 159 K HN 0.169 nan 8.250 nan 0.000 0.474 160 Q N 4.790 124.522 119.800 -0.115 0.000 2.235 160 Q HA 0.335 4.676 4.340 0.002 0.000 0.250 160 Q C -2.169 173.865 176.000 0.055 0.000 0.909 160 Q CA -2.002 53.786 55.803 -0.025 0.000 0.910 160 Q CB 1.339 30.087 28.738 0.015 0.000 1.223 160 Q HN 0.603 nan 8.270 nan 0.000 0.432 161 P HA 0.034 nan 4.420 nan 0.000 0.279 161 P C -0.303 177.005 177.300 0.013 0.000 1.252 161 P CA -0.491 62.653 63.100 0.074 0.000 0.811 161 P CB 0.898 32.570 31.700 -0.046 0.000 1.035 162 D N 0.709 121.087 120.400 -0.037 0.000 2.548 162 D HA -0.088 4.553 4.640 0.002 0.000 0.231 162 D C 1.290 177.642 176.300 0.087 0.000 1.142 162 D CA 0.536 54.568 54.000 0.054 0.000 0.866 162 D CB 0.798 41.675 40.800 0.128 0.000 1.190 162 D HN 0.340 nan 8.370 nan 0.000 0.469 163 S N 3.866 119.583 115.700 0.028 0.000 2.493 163 S HA -0.177 4.294 4.470 0.002 0.000 0.243 163 S C 1.528 176.063 174.600 -0.108 0.000 0.991 163 S CA 0.738 58.913 58.200 -0.041 0.000 0.957 163 S CB -0.070 63.112 63.200 -0.030 0.000 0.756 163 S HN 0.572 nan 8.310 nan 0.000 0.521 164 R N -0.578 119.908 120.500 -0.025 0.000 2.276 164 R HA 0.316 4.657 4.340 0.002 0.000 0.196 164 R C -0.586 175.527 176.300 -0.312 0.000 0.961 164 R CA 0.209 56.228 56.100 -0.136 0.000 1.024 164 R CB 0.031 30.240 30.300 -0.151 0.000 0.940 164 R HN 0.423 nan 8.270 nan 0.000 0.480 165 F N 0.039 119.855 119.950 -0.225 0.000 2.436 165 F HA 0.312 4.840 4.527 0.002 0.000 0.340 165 F C 0.170 175.801 175.800 -0.281 0.000 1.113 165 F CA -1.017 56.879 58.000 -0.175 0.000 1.022 165 F CB 1.330 40.219 39.000 -0.185 0.000 1.128 165 F HN -0.082 nan 8.300 nan 0.000 0.466 166 H N 0.859 120.051 119.070 0.203 0.000 2.569 166 H HA 0.702 5.259 4.556 0.002 0.000 0.357 166 H C -0.457 174.967 175.328 0.159 0.000 1.153 166 H CA -0.958 55.214 56.048 0.207 0.000 1.193 166 H CB 1.522 31.437 29.762 0.255 0.000 1.602 166 H HN 0.735 nan 8.280 nan 0.000 0.523 167 A N 1.515 124.509 122.820 0.291 0.000 2.302 167 A HA 0.762 5.083 4.320 0.002 0.000 0.285 167 A C -0.441 177.125 177.584 -0.029 0.000 1.105 167 A CA -0.087 52.066 52.037 0.193 0.000 0.816 167 A CB 0.225 19.360 19.000 0.224 0.000 1.067 167 A HN 0.805 nan 8.150 nan 0.000 0.489 168 A N 1.398 124.152 122.820 -0.110 0.000 2.375 168 A HA 0.545 4.866 4.320 0.002 0.000 0.295 168 A C -0.880 176.634 177.584 -0.116 0.000 1.066 168 A CA -0.512 51.346 52.037 -0.298 0.000 0.722 168 A CB 0.778 19.471 19.000 -0.512 0.000 1.206 168 A HN 1.468 nan 8.150 nan 0.000 0.435 169 L N 2.602 123.769 121.223 -0.094 0.000 2.433 169 L HA 0.463 4.804 4.340 0.002 0.000 0.284 169 L C 0.439 177.346 176.870 0.062 0.000 1.120 169 L CA 0.119 54.928 54.840 -0.051 0.000 0.879 169 L CB -0.153 41.868 42.059 -0.064 0.000 1.232 169 L HN 0.652 nan 8.230 nan 0.000 0.454 170 R N 4.421 124.975 120.500 0.090 0.000 2.298 170 R HA 0.387 4.728 4.340 0.002 0.000 0.310 170 R C -0.171 176.266 176.300 0.229 0.000 1.068 170 R CA 0.124 56.328 56.100 0.173 0.000 0.957 170 R CB 0.351 30.772 30.300 0.201 0.000 1.003 170 R HN 0.798 nan 8.270 nan 0.000 0.454 171 L N 3.386 124.750 121.223 0.234 0.000 3.168 171 L HA 0.259 4.600 4.340 0.002 0.000 0.277 171 L C 0.323 177.264 176.870 0.120 0.000 1.245 171 L CA -0.258 54.740 54.840 0.263 0.000 1.035 171 L CB 0.569 42.774 42.059 0.245 0.000 1.399 171 L HN 0.596 nan 8.230 nan 0.000 0.580 172 D N 1.581 122.043 120.400 0.102 0.000 2.133 172 D HA -0.175 4.466 4.640 0.002 0.000 0.192 172 D C -0.619 175.630 176.300 -0.084 0.000 1.001 172 D CA 1.673 55.698 54.000 0.042 0.000 0.844 172 D CB -1.040 39.813 40.800 0.088 0.000 0.944 172 D HN 0.226 nan 8.370 nan 0.000 0.447 173 P HA -0.110 nan 4.420 nan 0.000 0.216 173 P C 1.608 178.593 177.300 -0.525 0.000 1.150 173 P CA 0.686 63.498 63.100 -0.480 0.000 0.837 173 P CB 0.059 31.243 31.700 -0.859 0.000 0.786 174 L N -1.507 119.358 121.223 -0.596 0.000 2.044 174 L HA -0.094 4.247 4.340 0.002 0.000 0.205 174 L C 1.952 178.810 176.870 -0.021 0.000 1.075 174 L CA 1.992 56.695 54.840 -0.228 0.000 0.747 174 L CB -1.299 40.766 42.059 0.010 0.000 0.903 174 L HN -0.162 nan 8.230 nan 0.000 0.435 175 L N -0.158 121.055 121.223 -0.016 0.000 2.131 175 L HA -0.014 4.327 4.340 0.002 0.000 0.206 175 L C 1.995 178.877 176.870 0.021 0.000 1.087 175 L CA 1.219 56.068 54.840 0.015 0.000 0.767 175 L CB -0.945 41.154 42.059 0.068 0.000 0.917 175 L HN 0.342 nan 8.230 nan 0.000 0.441 176 N N -0.625 118.082 118.700 0.012 0.000 2.356 176 N HA 0.026 4.767 4.740 0.002 0.000 0.178 176 N C 0.246 175.761 175.510 0.008 0.000 1.075 176 N CA 0.337 53.402 53.050 0.025 0.000 0.889 176 N CB 0.354 38.864 38.487 0.039 0.000 0.999 176 N HN 0.414 nan 8.380 nan 0.000 0.464 177 E N -0.564 119.620 120.200 -0.026 0.000 3.428 177 E HA 0.070 4.421 4.350 0.002 0.000 0.191 177 E C -0.122 176.446 176.600 -0.053 0.000 0.980 177 E CA -0.256 56.120 56.400 -0.041 0.000 1.305 177 E CB 0.207 29.861 29.700 -0.075 0.000 1.105 177 E HN 0.109 nan 8.360 nan 0.000 0.455 178 Y N 1.970 122.188 120.300 -0.137 0.000 2.151 178 Y HA -0.307 4.244 4.550 0.002 0.000 0.284 178 Y C 2.167 177.978 175.900 -0.148 0.000 1.166 178 Y CA 2.103 60.116 58.100 -0.145 0.000 1.163 178 Y CB 0.227 38.611 38.460 -0.126 0.000 0.974 178 Y HN 0.107 nan 8.280 nan 0.000 0.511 179 E N -0.097 120.037 120.200 -0.110 0.000 2.130 179 E HA -0.233 4.118 4.350 0.002 0.000 0.196 179 E C 2.049 178.485 176.600 -0.273 0.000 0.998 179 E CA 1.965 58.255 56.400 -0.184 0.000 0.806 179 E CB -0.178 29.494 29.700 -0.046 0.000 0.738 179 E HN 0.716 nan 8.360 nan 0.000 0.459 180 Q N -1.779 117.910 119.800 -0.184 0.000 2.391 180 Q HA 0.114 4.455 4.340 0.002 0.000 0.211 180 Q C 1.766 177.660 176.000 -0.176 0.000 0.908 180 Q CA 0.913 56.659 55.803 -0.094 0.000 0.920 180 Q CB -0.198 28.527 28.738 -0.022 0.000 1.056 180 Q HN 0.114 nan 8.270 nan 0.000 0.523 181 T N 2.658 117.041 114.554 -0.285 0.000 2.985 181 T HA -0.057 4.294 4.350 0.002 0.000 0.266 181 T C 1.676 176.140 174.700 -0.393 0.000 1.076 181 T CA 1.318 63.240 62.100 -0.297 0.000 1.135 181 T CB 0.016 68.688 68.868 -0.326 0.000 0.890 181 T HN 0.540 nan 8.240 nan 0.000 0.480 182 K N 0.923 120.933 120.400 -0.650 0.000 2.211 182 K HA -0.187 4.134 4.320 0.002 0.000 0.204 182 K C 1.750 178.094 176.600 -0.428 0.000 1.047 182 K CA 1.482 57.374 56.287 -0.659 0.000 0.935 182 K CB -0.457 31.483 32.500 -0.933 0.000 0.728 182 K HN 0.371 nan 8.250 nan 0.000 0.452 183 H N 1.231 120.146 119.070 -0.257 0.000 2.423 183 H HA 0.033 4.590 4.556 0.002 0.000 0.297 183 H C 1.957 177.117 175.328 -0.280 0.000 1.075 183 H CA 1.279 57.203 56.048 -0.207 0.000 1.342 183 H CB 0.026 29.688 29.762 -0.167 0.000 1.395 183 H HN 0.352 nan 8.280 nan 0.000 0.530 184 R N 0.079 120.394 120.500 -0.308 0.000 2.127 184 R HA 0.078 4.419 4.340 0.002 0.000 0.217 184 R C 2.505 178.266 176.300 -0.898 0.000 1.074 184 R CA 0.223 55.883 56.100 -0.733 0.000 0.991 184 R CB -0.001 29.767 30.300 -0.888 0.000 0.895 184 R HN 0.188 nan 8.270 nan 0.000 0.450 185 L N 0.648 121.629 121.223 -0.404 0.000 2.083 185 L HA -0.163 4.178 4.340 0.002 0.000 0.209 185 L C 2.552 179.520 176.870 0.163 0.000 1.083 185 L CA 1.472 56.326 54.840 0.024 0.000 0.752 185 L CB -0.388 41.690 42.059 0.032 0.000 0.899 185 L HN 0.178 nan 8.230 nan 0.000 0.433 186 R N -0.077 120.428 120.500 0.007 0.000 2.073 186 R HA -0.143 4.198 4.340 0.002 0.000 0.234 186 R C 1.740 178.063 176.300 0.038 0.000 1.134 186 R CA 1.441 57.569 56.100 0.048 0.000 0.952 186 R CB -0.455 29.855 30.300 0.017 0.000 0.850 186 R HN 0.330 nan 8.270 nan 0.000 0.433 187 D N -0.608 119.749 120.400 -0.071 0.000 2.309 187 D HA -0.153 4.488 4.640 0.002 0.000 0.212 187 D C 1.077 177.463 176.300 0.143 0.000 0.968 187 D CA 0.787 54.761 54.000 -0.043 0.000 0.882 187 D CB -0.019 40.680 40.800 -0.168 0.000 0.918 187 D HN 0.334 nan 8.370 nan 0.000 0.503 188 W N -0.138 121.268 121.300 0.177 0.000 3.278 188 W HA 0.389 5.050 4.660 0.002 0.000 0.308 188 W C 1.447 177.988 176.519 0.036 0.000 1.253 188 W CA 0.375 57.846 57.345 0.208 0.000 1.759 188 W CB -0.115 29.606 29.460 0.435 0.000 1.093 188 W HN 0.078 nan 8.180 nan 0.000 0.648 189 G N -0.365 108.525 108.800 0.150 0.000 2.195 189 G HA2 -0.288 3.673 3.960 0.002 0.000 0.224 189 G HA3 -0.288 3.673 3.960 0.002 0.000 0.224 189 G C -0.332 174.436 174.900 -0.219 0.000 0.990 189 G CA -0.453 44.591 45.100 -0.093 0.000 0.639 189 G HN 0.173 nan 8.290 nan 0.000 0.514 190 Y N 1.565 122.005 120.300 0.233 0.000 2.595 190 Y HA 0.550 5.100 4.550 0.001 0.000 0.347 190 Y C 0.755 176.732 175.900 0.129 0.000 1.025 190 Y CA -0.599 57.625 58.100 0.206 0.000 1.295 190 Y CB 0.886 39.522 38.460 0.293 0.000 1.147 190 Y HN -0.033 nan 8.280 nan 0.000 0.515 191 K N 2.706 123.206 120.400 0.166 0.000 2.199 191 K HA 0.145 4.466 4.320 0.002 0.000 0.226 191 K C -0.404 176.265 176.600 0.115 0.000 1.237 191 K CA -0.228 56.125 56.287 0.111 0.000 1.170 191 K CB -0.672 31.868 32.500 0.066 0.000 1.418 191 K HN 0.445 nan 8.250 nan 0.000 0.255 192 V N -1.092 118.902 119.914 0.134 0.000 2.607 192 V HA 0.267 4.388 4.120 0.002 0.000 0.289 192 V C 0.550 176.702 176.094 0.096 0.000 1.053 192 V CA -0.960 61.422 62.300 0.136 0.000 0.996 192 V CB 1.271 33.223 31.823 0.215 0.000 0.995 192 V HN 0.561 nan 8.190 nan 0.000 0.476 193 N N 1.838 120.596 118.700 0.098 0.000 2.476 193 N HA 0.217 4.958 4.740 0.002 0.000 0.287 193 N C 0.130 175.708 175.510 0.113 0.000 1.262 193 N CA -0.687 52.413 53.050 0.082 0.000 0.980 193 N CB 1.024 39.548 38.487 0.063 0.000 1.163 193 N HN 0.813 nan 8.380 nan 0.000 0.592 194 D N -0.270 120.186 120.400 0.093 0.000 2.340 194 D HA -0.002 4.639 4.640 0.002 0.000 0.220 194 D C -0.342 176.046 176.300 0.147 0.000 1.039 194 D CA 0.612 54.672 54.000 0.099 0.000 0.866 194 D CB 0.219 41.060 40.800 0.067 0.000 0.913 194 D HN 0.564 nan 8.370 nan 0.000 0.523 195 E N -1.081 119.217 120.200 0.163 0.000 2.320 195 E HA 0.178 4.529 4.350 0.002 0.000 0.264 195 E C -0.571 176.197 176.600 0.280 0.000 0.923 195 E CA -1.035 55.478 56.400 0.188 0.000 0.796 195 E CB 1.369 31.140 29.700 0.118 0.000 1.262 195 E HN -0.003 nan 8.360 nan 0.000 0.428 196 W N 4.242 125.568 121.300 0.043 0.000 1.714 196 W HA 0.120 4.781 4.660 0.001 0.000 0.363 196 W C -0.754 175.781 176.519 0.026 0.000 0.724 196 W CA -0.571 56.791 57.345 0.027 0.000 1.804 196 W CB 0.314 29.772 29.460 -0.004 0.000 1.900 196 W HN 0.624 nan 8.180 nan 0.000 0.296 197 N N 0.395 118.997 118.700 -0.163 0.000 2.491 197 N HA 0.032 4.773 4.740 0.002 0.000 0.279 197 N C 0.734 176.055 175.510 -0.315 0.000 1.236 197 N CA -0.202 52.745 53.050 -0.171 0.000 0.982 197 N CB 0.580 39.026 38.487 -0.068 0.000 1.194 197 N HN 0.049 nan 8.380 nan 0.000 0.582 198 E N 0.037 120.120 120.200 -0.196 0.000 2.118 198 E HA -0.081 4.270 4.350 0.002 0.000 0.195 198 E C 1.776 178.268 176.600 -0.179 0.000 0.992 198 E CA 1.970 58.260 56.400 -0.184 0.000 0.804 198 E CB -0.952 28.692 29.700 -0.092 0.000 0.741 198 E HN 0.809 nan 8.360 nan 0.000 0.458 199 G N -0.596 108.126 108.800 -0.129 0.000 2.446 199 G HA2 -0.282 3.679 3.960 0.002 0.000 0.217 199 G HA3 -0.282 3.679 3.960 0.002 0.000 0.217 199 G C 1.838 176.673 174.900 -0.108 0.000 1.168 199 G CA 1.109 46.160 45.100 -0.082 0.000 0.771 199 G HN 0.331 nan 8.290 nan 0.000 0.551 200 S N 0.548 116.135 115.700 -0.188 0.000 2.368 200 S HA -0.053 4.418 4.470 0.002 0.000 0.225 200 S C 2.291 176.654 174.600 -0.395 0.000 1.030 200 S CA 0.976 59.050 58.200 -0.211 0.000 0.999 200 S CB -0.248 62.824 63.200 -0.214 0.000 0.844 200 S HN 0.379 nan 8.310 nan 0.000 0.459 201 I N 1.658 121.802 120.570 -0.711 0.000 2.163 201 I HA -0.241 3.930 4.170 0.002 0.000 0.243 201 I C 2.719 178.729 176.117 -0.179 0.000 1.085 201 I CA 1.133 62.072 61.300 -0.603 0.000 1.347 201 I CB -0.375 37.305 38.000 -0.533 0.000 1.044 201 I HN 0.258 nan 8.210 nan 0.000 0.408 202 Q N 0.447 120.176 119.800 -0.118 0.000 2.084 202 Q HA -0.192 4.149 4.340 0.002 0.000 0.202 202 Q C 2.118 178.164 176.000 0.076 0.000 0.978 202 Q CA 1.343 57.143 55.803 -0.005 0.000 0.844 202 Q CB -0.396 28.341 28.738 -0.002 0.000 0.898 202 Q HN 0.512 nan 8.270 nan 0.000 0.426 203 E N 0.124 120.382 120.200 0.097 0.000 2.106 203 E HA -0.086 4.265 4.350 0.002 0.000 0.192 203 E C 2.219 178.983 176.600 0.274 0.000 0.984 203 E CA 0.609 57.153 56.400 0.241 0.000 0.806 203 E CB -0.095 29.757 29.700 0.254 0.000 0.750 203 E HN 0.135 nan 8.360 nan 0.000 0.458 204 V N 1.419 121.447 119.914 0.190 0.000 2.358 204 V HA -0.240 3.881 4.120 0.002 0.000 0.246 204 V C 2.304 178.526 176.094 0.212 0.000 1.047 204 V CA 1.665 64.094 62.300 0.215 0.000 1.035 204 V CB -0.351 31.624 31.823 0.253 0.000 0.658 204 V HN 0.188 nan 8.190 nan 0.000 0.452 205 K N -0.317 120.178 120.400 0.158 0.000 2.063 205 K HA -0.205 4.116 4.320 0.002 0.000 0.208 205 K C 2.442 179.126 176.600 0.140 0.000 1.048 205 K CA 1.593 57.957 56.287 0.129 0.000 0.928 205 K CB -0.256 32.303 32.500 0.098 0.000 0.713 205 K HN 0.258 nan 8.250 nan 0.000 0.442 206 R N -0.044 120.569 120.500 0.189 0.000 2.091 206 R HA -0.170 4.171 4.340 0.002 0.000 0.238 206 R C 2.212 178.642 176.300 0.218 0.000 1.136 206 R CA 1.631 57.874 56.100 0.240 0.000 0.959 206 R CB -0.314 30.205 30.300 0.366 0.000 0.856 206 R HN 0.176 nan 8.270 nan 0.000 0.437 207 F N 1.304 121.194 119.950 -0.100 0.000 2.069 207 F HA -0.227 4.301 4.527 0.002 0.000 0.298 207 F C 1.878 177.668 175.800 -0.017 0.000 1.113 207 F CA 1.621 59.360 58.000 -0.436 0.000 1.214 207 F CB -0.376 38.265 39.000 -0.598 0.000 0.978 207 F HN -0.034 nan 8.300 nan 0.000 0.474 208 L N -0.501 120.783 121.223 0.102 0.000 2.012 208 L HA -0.263 4.078 4.340 0.002 0.000 0.210 208 L C 2.398 179.201 176.870 -0.112 0.000 1.073 208 L CA 1.956 56.797 54.840 0.002 0.000 0.748 208 L CB -1.358 40.734 42.059 0.055 0.000 0.891 208 L HN 0.171 nan 8.230 nan 0.000 0.431 209 T N -0.834 113.672 114.554 -0.080 0.000 2.684 209 T HA -0.196 4.155 4.350 0.002 0.000 0.267 209 T C 1.485 176.113 174.700 -0.120 0.000 1.036 209 T CA 1.632 63.664 62.100 -0.112 0.000 1.148 209 T CB -0.290 68.591 68.868 0.022 0.000 0.863 209 T HN 0.324 nan 8.240 nan 0.000 0.436 210 D N 0.038 120.365 120.400 -0.121 0.000 2.104 210 D HA -0.084 4.557 4.640 0.002 0.000 0.194 210 D C 1.701 177.745 176.300 -0.428 0.000 0.994 210 D CA 0.979 54.838 54.000 -0.235 0.000 0.830 210 D CB -0.358 40.319 40.800 -0.205 0.000 0.959 210 D HN 0.553 nan 8.370 nan 0.000 0.452 211 W N 0.895 121.938 121.300 -0.428 0.000 2.519 211 W HA 0.114 4.774 4.660 0.001 0.000 0.266 211 W C 2.273 178.576 176.519 -0.360 0.000 1.253 211 W CA 0.019 57.079 57.345 -0.475 0.000 1.274 211 W CB -0.261 28.780 29.460 -0.699 0.000 1.114 211 W HN -0.050 nan 8.180 nan 0.000 0.596 212 I N -0.149 120.339 120.570 -0.137 0.000 2.353 212 I HA -0.216 3.955 4.170 0.002 0.000 0.248 212 I C 2.082 178.135 176.117 -0.106 0.000 1.119 212 I CA 1.276 62.491 61.300 -0.142 0.000 1.417 212 I CB -0.344 37.505 38.000 -0.251 0.000 1.078 212 I HN 0.009 nan 8.210 nan 0.000 0.421 213 E N 0.571 120.698 120.200 -0.122 0.000 2.047 213 E HA -0.232 4.119 4.350 0.002 0.000 0.191 213 E C 2.282 178.821 176.600 -0.102 0.000 0.987 213 E CA 0.885 57.233 56.400 -0.085 0.000 0.799 213 E CB -0.072 29.572 29.700 -0.093 0.000 0.752 213 E HN 0.326 nan 8.360 nan 0.000 0.449 214 R N 0.278 120.656 120.500 -0.204 0.000 2.092 214 R HA -0.052 4.289 4.340 0.002 0.000 0.231 214 R C 2.128 178.406 176.300 -0.037 0.000 1.119 214 R CA 1.245 57.238 56.100 -0.178 0.000 0.970 214 R CB 0.087 30.113 30.300 -0.456 0.000 0.864 214 R HN 0.154 nan 8.270 nan 0.000 0.440 215 M N -0.625 118.880 119.600 -0.158 0.000 2.466 215 M HA 0.006 4.487 4.480 0.002 0.000 0.265 215 M C -0.011 176.284 176.300 -0.009 0.000 1.122 215 M CA 0.501 55.661 55.300 -0.232 0.000 1.157 215 M CB 0.337 32.642 32.600 -0.490 0.000 1.352 215 M HN 0.033 nan 8.290 nan 0.000 0.464 216 D N 1.637 122.031 120.400 -0.010 0.000 2.737 216 D HA -0.093 4.548 4.640 0.002 0.000 0.238 216 D C -2.315 174.017 176.300 0.053 0.000 1.157 216 D CA 0.049 54.074 54.000 0.041 0.000 0.694 216 D CB -0.238 40.614 40.800 0.088 0.000 1.021 216 D HN 0.173 nan 8.370 nan 0.000 0.420 217 P HA 0.079 nan 4.420 nan 0.000 0.274 217 P C 1.360 178.652 177.300 -0.013 0.000 1.231 217 P CA -0.229 62.851 63.100 -0.033 0.000 0.790 217 P CB 1.393 33.035 31.700 -0.097 0.000 0.951 218 V N -0.573 119.307 119.914 -0.057 0.000 3.041 218 V HA 0.050 4.171 4.120 0.002 0.000 0.260 218 V C 0.402 176.513 176.094 0.028 0.000 1.105 218 V CA 1.002 63.296 62.300 -0.010 0.000 1.125 218 V CB -1.919 29.926 31.823 0.037 0.000 0.730 218 V HN 0.677 nan 8.190 nan 0.000 0.479 219 Y N -3.616 116.705 120.300 0.035 0.000 2.732 219 Y HA 0.715 5.265 4.550 0.001 0.000 0.342 219 Y C -1.145 174.775 175.900 0.034 0.000 1.203 219 Y CA -2.508 55.603 58.100 0.019 0.000 1.092 219 Y CB 0.524 38.996 38.460 0.021 0.000 1.345 219 Y HN -0.036 nan 8.280 nan 0.000 0.458 220 M N 2.389 122.201 119.600 0.354 0.000 2.363 220 M HA 0.858 5.339 4.480 0.002 0.000 0.343 220 M C -0.374 176.199 176.300 0.455 0.000 1.165 220 M CA -0.702 54.770 55.300 0.286 0.000 1.046 220 M CB 1.975 34.662 32.600 0.145 0.000 1.648 220 M HN 0.943 nan 8.290 nan 0.000 0.452 221 A N 2.064 125.100 122.820 0.360 0.000 2.527 221 A HA 0.957 5.278 4.320 0.002 0.000 0.293 221 A C -1.622 176.090 177.584 0.213 0.000 1.117 221 A CA -0.758 51.437 52.037 0.263 0.000 0.723 221 A CB 2.148 21.287 19.000 0.231 0.000 1.313 221 A HN 0.661 nan 8.150 nan 0.000 0.411 222 V N 0.483 120.444 119.914 0.079 0.000 3.077 222 V HA 0.693 4.814 4.120 0.002 0.000 0.299 222 V C -0.693 175.368 176.094 -0.055 0.000 1.276 222 V CA 0.191 62.531 62.300 0.066 0.000 0.993 222 V CB 2.513 34.418 31.823 0.137 0.000 1.076 222 V HN 1.792 nan 8.190 nan 0.000 0.434 223 S N 6.526 122.241 115.700 0.025 0.000 2.475 223 S HA 0.887 5.358 4.470 0.002 0.000 0.298 223 S C -0.935 173.698 174.600 0.054 0.000 1.119 223 S CA -0.656 57.583 58.200 0.065 0.000 1.085 223 S CB 1.378 64.740 63.200 0.269 0.000 1.028 223 S HN 0.739 nan 8.310 nan 0.000 0.489 224 L N 2.904 124.138 121.223 0.018 0.000 2.333 224 L HA 0.682 5.023 4.340 0.002 0.000 0.263 224 L C -2.353 174.572 176.870 0.092 0.000 1.014 224 L CA -2.719 52.111 54.840 -0.016 0.000 0.820 224 L CB 2.545 44.414 42.059 -0.317 0.000 1.352 224 L HN 0.494 nan 8.230 nan 0.000 0.421 225 P HA 0.233 nan 4.420 nan 0.000 0.276 225 P C -2.482 174.891 177.300 0.120 0.000 1.261 225 P CA -1.688 61.481 63.100 0.114 0.000 0.800 225 P CB 0.639 32.405 31.700 0.109 0.000 1.066 226 P HA -0.110 nan 4.420 nan 0.000 0.219 226 P C 1.262 178.606 177.300 0.074 0.000 1.146 226 P CA 1.931 65.057 63.100 0.044 0.000 0.808 226 P CB -0.607 31.078 31.700 -0.026 0.000 0.779 227 T N -4.940 109.664 114.554 0.083 0.000 3.194 227 T HA 0.041 4.392 4.350 0.002 0.000 0.251 227 T C 0.358 175.120 174.700 0.103 0.000 1.132 227 T CA -0.482 61.659 62.100 0.068 0.000 1.028 227 T CB -1.214 67.680 68.868 0.045 0.000 0.976 227 T HN -0.126 nan 8.240 nan 0.000 0.535 228 F N 3.463 123.424 119.950 0.020 0.000 2.612 228 F HA 0.378 4.906 4.527 0.001 0.000 0.389 228 F C -0.059 175.763 175.800 0.036 0.000 1.055 228 F CA -0.366 57.655 58.000 0.035 0.000 1.232 228 F CB 0.072 39.096 39.000 0.040 0.000 1.044 228 F HN 0.061 nan 8.300 nan 0.000 0.560 229 S N 6.213 121.453 115.700 -0.766 0.000 2.569 229 S HA 0.757 5.228 4.470 0.002 0.000 0.280 229 S C -1.703 172.454 174.600 -0.740 0.000 1.111 229 S CA -0.591 57.215 58.200 -0.656 0.000 0.887 229 S CB 2.024 65.040 63.200 -0.307 0.000 1.095 229 S HN 0.584 nan 8.310 nan 0.000 0.476 230 F N 1.866 121.439 119.950 -0.629 0.000 2.639 230 F HA 0.491 5.019 4.527 0.002 0.000 0.320 230 F C -3.017 172.527 175.800 -0.427 0.000 1.128 230 F CA -1.354 56.389 58.000 -0.428 0.000 1.037 230 F CB 1.250 40.065 39.000 -0.309 0.000 1.288 230 F HN 0.350 nan 8.300 nan 0.000 0.463 231 P HA 0.282 nan 4.420 nan 0.000 0.271 231 P C -1.637 175.227 177.300 -0.727 0.000 1.233 231 P CA -0.014 62.289 63.100 -1.328 0.000 0.789 231 P CB 0.707 31.886 31.700 -0.869 0.000 0.951 232 E N 0.418 120.239 120.200 -0.631 0.000 2.347 232 E HA 0.115 4.465 4.350 0.002 0.000 0.285 232 E C -1.011 175.425 176.600 -0.274 0.000 0.925 232 E CA -0.456 55.733 56.400 -0.351 0.000 0.779 232 E CB 1.026 30.569 29.700 -0.263 0.000 1.233 232 E HN 0.213 nan 8.360 nan 0.000 0.414 233 E N 2.320 122.398 120.200 -0.204 0.000 1.979 233 E HA 0.174 4.525 4.350 0.002 0.000 0.285 233 E C -0.841 175.667 176.600 -0.154 0.000 1.188 233 E CA 0.074 56.373 56.400 -0.170 0.000 1.214 233 E CB 0.280 29.906 29.700 -0.123 0.000 1.210 233 E HN 0.476 nan 8.360 nan 0.000 0.477 234 S N 0.278 115.867 115.700 -0.186 0.000 2.685 234 S HA 0.385 4.856 4.470 0.002 0.000 0.282 234 S C 0.851 175.295 174.600 -0.260 0.000 1.159 234 S CA -0.857 57.245 58.200 -0.164 0.000 0.833 234 S CB 1.170 64.307 63.200 -0.105 0.000 1.151 234 S HN 0.061 nan 8.310 nan 0.000 0.485 235 N N 1.080 119.630 118.700 -0.249 0.000 2.069 235 N HA -0.122 4.619 4.740 0.002 0.000 0.191 235 N C 1.755 177.025 175.510 -0.399 0.000 1.031 235 N CA 1.532 54.328 53.050 -0.423 0.000 0.852 235 N CB -0.654 37.687 38.487 -0.243 0.000 1.018 235 N HN 0.701 nan 8.380 nan 0.000 0.423 236 R N 0.535 120.930 120.500 -0.175 0.000 2.091 236 R HA -0.089 4.252 4.340 0.002 0.000 0.238 236 R C 2.240 178.535 176.300 -0.008 0.000 1.136 236 R CA 1.743 57.811 56.100 -0.054 0.000 0.959 236 R CB -0.576 29.773 30.300 0.081 0.000 0.856 236 R HN 0.239 nan 8.270 nan 0.000 0.437 237 G N 0.222 108.993 108.800 -0.048 0.000 2.418 237 G HA2 -0.241 3.720 3.960 0.002 0.000 0.217 237 G HA3 -0.241 3.720 3.960 0.002 0.000 0.217 237 G C 1.403 176.246 174.900 -0.094 0.000 1.158 237 G CA 0.550 45.624 45.100 -0.043 0.000 0.771 237 G HN 0.310 nan 8.290 nan 0.000 0.545 238 R N -0.277 120.046 120.500 -0.296 0.000 2.090 238 R HA 0.157 4.498 4.340 0.002 0.000 0.228 238 R C 2.575 178.721 176.300 -0.257 0.000 1.110 238 R CA 0.745 56.613 56.100 -0.386 0.000 0.973 238 R CB -0.313 29.414 30.300 -0.956 0.000 0.869 238 R HN 0.365 nan 8.270 nan 0.000 0.440 239 I N 0.735 121.072 120.570 -0.390 0.000 2.226 239 I HA -0.279 3.892 4.170 0.002 0.000 0.245 239 I C 2.261 178.390 176.117 0.019 0.000 1.100 239 I CA 1.371 62.583 61.300 -0.148 0.000 1.374 239 I CB -0.223 37.633 38.000 -0.239 0.000 1.057 239 I HN 0.124 nan 8.210 nan 0.000 0.413 240 I N 0.447 121.044 120.570 0.045 0.000 2.179 240 I HA -0.314 3.857 4.170 0.002 0.000 0.242 240 I C 2.820 178.989 176.117 0.087 0.000 1.088 240 I CA 1.429 62.757 61.300 0.048 0.000 1.357 240 I CB -0.404 37.718 38.000 0.204 0.000 1.051 240 I HN 0.217 nan 8.210 nan 0.000 0.409 241 R N 1.094 121.757 120.500 0.271 0.000 2.061 241 R HA -0.177 4.164 4.340 0.002 0.000 0.230 241 R C 1.754 178.189 176.300 0.226 0.000 1.140 241 R CA 2.122 58.405 56.100 0.305 0.000 0.940 241 R CB -0.142 30.363 30.300 0.341 0.000 0.839 241 R HN 0.253 nan 8.270 nan 0.000 0.429 242 D N -0.840 119.710 120.400 0.251 0.000 2.277 242 D HA -0.022 4.619 4.640 0.002 0.000 0.208 242 D C 1.367 177.789 176.300 0.203 0.000 0.962 242 D CA 0.844 55.005 54.000 0.267 0.000 0.865 242 D CB 0.286 41.345 40.800 0.433 0.000 0.939 242 D HN 0.345 nan 8.370 nan 0.000 0.510 243 C N -0.749 118.658 119.300 0.178 0.000 2.605 243 C HA 0.198 4.659 4.460 0.002 0.000 0.364 243 C C 2.276 177.283 174.990 0.028 0.000 1.656 243 C CA -0.408 58.683 59.018 0.121 0.000 2.400 243 C CB -0.704 27.141 27.740 0.176 0.000 2.132 243 C HN 0.181 nan 8.230 nan 0.000 0.668 244 L N 1.736 122.933 121.223 -0.043 0.000 1.989 244 L HA -0.042 4.299 4.340 0.002 0.000 0.211 244 L C 2.250 178.978 176.870 -0.236 0.000 1.071 244 L CA 1.986 56.713 54.840 -0.190 0.000 0.749 244 L CB -1.065 40.772 42.059 -0.371 0.000 0.890 244 L HN 0.330 nan 8.230 nan 0.000 0.431 245 L N -0.677 120.408 121.223 -0.230 0.000 2.017 245 L HA -0.161 4.180 4.340 0.002 0.000 0.208 245 L C -0.064 176.764 176.870 -0.069 0.000 1.073 245 L CA 1.342 56.051 54.840 -0.219 0.000 0.745 245 L CB -1.917 39.948 42.059 -0.323 0.000 0.894 245 L HN 0.244 nan 8.230 nan 0.000 0.432 246 P HA -0.134 nan 4.420 nan 0.000 0.215 246 P C 1.955 179.289 177.300 0.056 0.000 1.157 246 P CA 1.174 64.311 63.100 0.060 0.000 0.868 246 P CB 0.083 31.833 31.700 0.083 0.000 0.788 247 V N 0.017 119.955 119.914 0.039 0.000 2.358 247 V HA -0.221 3.900 4.120 0.002 0.000 0.246 247 V C 2.449 178.590 176.094 0.079 0.000 1.047 247 V CA 2.155 64.501 62.300 0.077 0.000 1.035 247 V CB -1.723 30.096 31.823 -0.006 0.000 0.658 247 V HN 0.088 nan 8.190 nan 0.000 0.452 248 A N -0.233 122.565 122.820 -0.037 0.000 1.902 248 A HA -0.282 4.039 4.320 0.002 0.000 0.217 248 A C 2.299 179.872 177.584 -0.020 0.000 1.181 248 A CA 2.058 54.056 52.037 -0.065 0.000 0.623 248 A CB -0.481 18.415 19.000 -0.173 0.000 0.818 248 A HN 0.648 nan 8.150 nan 0.000 0.443 249 E N -0.190 120.002 120.200 -0.013 0.000 2.072 249 E HA -0.222 4.129 4.350 0.002 0.000 0.191 249 E C 2.069 178.680 176.600 0.018 0.000 0.985 249 E CA 1.391 57.790 56.400 -0.002 0.000 0.801 249 E CB -0.160 29.558 29.700 0.029 0.000 0.750 249 E HN 0.610 nan 8.360 nan 0.000 0.452 250 K N -0.567 119.867 120.400 0.056 0.000 2.097 250 K HA -0.174 4.147 4.320 0.002 0.000 0.206 250 K C 1.357 177.905 176.600 -0.087 0.000 1.049 250 K CA 1.679 57.967 56.287 0.001 0.000 0.933 250 K CB -0.055 32.462 32.500 0.028 0.000 0.717 250 K HN 0.250 nan 8.250 nan 0.000 0.442 251 H N -0.664 118.386 119.070 -0.033 0.000 2.539 251 H HA 0.125 4.683 4.556 0.003 0.000 0.269 251 H C -0.025 175.274 175.328 -0.048 0.000 0.980 251 H CA 0.459 56.486 56.048 -0.034 0.000 1.152 251 H CB 0.185 29.929 29.762 -0.030 0.000 1.407 251 H HN 0.312 nan 8.280 nan 0.000 0.564 252 N N 0.718 119.437 118.700 0.031 0.000 2.727 252 N HA -0.172 4.569 4.740 0.002 0.000 0.249 252 N C -0.751 174.727 175.510 -0.054 0.000 1.048 252 N CA 0.676 53.704 53.050 -0.037 0.000 0.714 252 N CB -1.349 37.105 38.487 -0.054 0.000 0.959 252 N HN 0.618 nan 8.380 nan 0.000 0.544 253 I N -3.018 117.534 120.570 -0.030 0.000 2.404 253 I HA 0.686 4.857 4.170 0.002 0.000 0.293 253 I C -2.240 173.841 176.117 -0.059 0.000 0.992 253 I CA -2.441 58.840 61.300 -0.031 0.000 1.149 253 I CB 1.976 39.983 38.000 0.011 0.000 1.315 253 I HN -0.175 nan 8.210 nan 0.000 0.446 254 P HA 0.084 nan 4.420 nan 0.000 0.270 254 P C -1.103 176.252 177.300 0.091 0.000 1.223 254 P CA 0.084 63.165 63.100 -0.033 0.000 0.785 254 P CB 0.293 32.018 31.700 0.042 0.000 0.923 255 F N 1.863 121.701 119.950 -0.187 0.000 2.403 255 F HA 0.632 5.159 4.527 0.001 0.000 0.355 255 F C -0.727 175.028 175.800 -0.075 0.000 1.119 255 F CA -1.855 56.066 58.000 -0.131 0.000 1.007 255 F CB 0.262 39.127 39.000 -0.225 0.000 1.194 255 F HN 0.281 nan 8.300 nan 0.000 0.443 256 A N 8.110 130.831 122.820 -0.166 0.000 2.274 256 A HA 0.716 5.037 4.320 0.002 0.000 0.309 256 A C -0.662 176.588 177.584 -0.557 0.000 1.226 256 A CA -0.557 51.228 52.037 -0.420 0.000 0.853 256 A CB 0.241 18.830 19.000 -0.685 0.000 1.146 256 A HN 0.788 nan 8.150 nan 0.000 0.518 257 M N 3.513 122.789 119.600 -0.541 0.000 2.190 257 M HA 0.404 4.885 4.480 0.002 0.000 0.312 257 M C -0.864 175.168 176.300 -0.447 0.000 0.990 257 M CA 0.220 55.173 55.300 -0.578 0.000 0.927 257 M CB 1.741 33.944 32.600 -0.661 0.000 1.571 257 M HN 0.605 nan 8.290 nan 0.000 0.427 258 M N 5.419 124.743 119.600 -0.460 0.000 2.060 258 M HA 0.514 4.995 4.480 0.002 0.000 0.342 258 M C -0.970 175.216 176.300 -0.188 0.000 1.031 258 M CA -0.271 54.648 55.300 -0.635 0.000 0.981 258 M CB 0.614 32.489 32.600 -1.208 0.000 1.376 258 M HN 0.611 nan 8.290 nan 0.000 0.397 259 I N 1.476 122.026 120.570 -0.034 0.000 2.385 259 I HA 0.596 4.767 4.170 0.002 0.000 0.294 259 I C 1.050 177.318 176.117 0.250 0.000 0.988 259 I CA -0.084 61.269 61.300 0.087 0.000 1.265 259 I CB 1.609 39.600 38.000 -0.015 0.000 1.388 259 I HN 0.988 nan 8.210 nan 0.000 0.480 260 G N 4.008 112.915 108.800 0.178 0.000 2.227 260 G HA2 -0.183 3.778 3.960 0.002 0.000 0.168 260 G HA3 -0.183 3.778 3.960 0.002 0.000 0.168 260 G C -0.210 174.674 174.900 -0.027 0.000 1.006 260 G CA -0.251 44.891 45.100 0.070 0.000 0.684 260 G HN 0.497 nan 8.290 nan 0.000 0.489 261 V N 1.445 121.395 119.914 0.060 0.000 2.461 261 V HA 0.677 4.798 4.120 0.002 0.000 0.275 261 V C 0.366 176.473 176.094 0.021 0.000 1.047 261 V CA -0.237 62.046 62.300 -0.028 0.000 0.955 261 V CB 1.378 33.288 31.823 0.143 0.000 0.988 261 V HN 0.263 nan 8.190 nan 0.000 0.471 262 K N 6.632 127.016 120.400 -0.027 0.000 2.300 262 K HA 0.362 4.683 4.320 0.002 0.000 0.264 262 K C -0.244 176.414 176.600 0.095 0.000 1.083 262 K CA -0.703 55.610 56.287 0.042 0.000 0.958 262 K CB 0.342 32.868 32.500 0.042 0.000 1.318 262 K HN 0.564 nan 8.250 nan 0.000 0.448 263 K N 3.113 123.581 120.400 0.113 0.000 2.448 263 K HA 0.015 4.336 4.320 0.002 0.000 0.278 263 K C -0.063 176.606 176.600 0.115 0.000 1.009 263 K CA 0.184 56.550 56.287 0.131 0.000 0.995 263 K CB 0.443 33.021 32.500 0.130 0.000 0.917 263 K HN 0.633 nan 8.250 nan 0.000 0.481 264 R N 0.058 120.631 120.500 0.122 0.000 3.251 264 R HA -0.165 4.176 4.340 0.002 0.000 0.249 264 R C 1.081 177.443 176.300 0.103 0.000 0.949 264 R CA 0.531 56.697 56.100 0.109 0.000 0.645 264 R CB -2.259 28.094 30.300 0.088 0.000 1.065 264 R HN 0.587 nan 8.270 nan 0.000 0.452 265 V N -3.596 116.381 119.914 0.106 0.000 3.041 265 V HA -0.059 4.062 4.120 0.002 0.000 0.260 265 V C 0.969 177.103 176.094 0.067 0.000 1.105 265 V CA 1.585 63.920 62.300 0.059 0.000 1.125 265 V CB -0.226 31.605 31.823 0.012 0.000 0.730 265 V HN 0.583 nan 8.190 nan 0.000 0.479 266 H N 0.220 119.289 119.070 -0.002 0.000 2.607 266 H HA 0.377 4.933 4.556 0.002 0.000 0.248 266 H C -2.176 173.181 175.328 0.047 0.000 1.355 266 H CA -1.915 54.135 56.048 0.004 0.000 1.524 266 H CB 1.929 31.681 29.762 -0.017 0.000 1.563 266 H HN 0.102 nan 8.280 nan 0.000 0.509 267 P HA -0.256 nan 4.420 nan 0.000 0.217 267 P C 1.449 178.827 177.300 0.130 0.000 1.158 267 P CA 2.147 65.335 63.100 0.146 0.000 0.887 267 P CB 0.201 31.972 31.700 0.118 0.000 0.792 268 A N -1.032 121.904 122.820 0.192 0.000 2.076 268 A HA -0.158 4.163 4.320 0.002 0.000 0.220 268 A C 2.061 179.772 177.584 0.211 0.000 1.160 268 A CA 1.309 53.456 52.037 0.182 0.000 0.653 268 A CB -1.555 17.582 19.000 0.229 0.000 0.801 268 A HN 0.179 nan 8.150 nan 0.000 0.455 269 L N -1.469 119.740 121.223 -0.023 0.000 2.599 269 L HA 0.155 4.496 4.340 0.002 0.000 0.230 269 L C 1.839 178.873 176.870 0.273 0.000 1.141 269 L CA 0.259 55.155 54.840 0.094 0.000 0.877 269 L CB -0.856 41.088 42.059 -0.192 0.000 1.009 269 L HN 0.640 nan 8.230 nan 0.000 0.447 270 G N 0.884 109.756 108.800 0.120 0.000 2.583 270 G HA2 -0.393 3.567 3.960 0.002 0.000 0.292 270 G HA3 -0.393 3.567 3.960 0.002 0.000 0.292 270 G C 0.528 175.445 174.900 0.028 0.000 1.203 270 G CA 0.406 45.513 45.100 0.011 0.000 0.987 270 G HN 0.283 nan 8.290 nan 0.000 0.554 271 D N 1.317 121.712 120.400 -0.008 0.000 2.351 271 D HA 0.147 4.788 4.640 0.002 0.000 0.216 271 D C 2.334 178.456 176.300 -0.296 0.000 0.968 271 D CA 1.469 55.374 54.000 -0.157 0.000 0.899 271 D CB -0.372 40.307 40.800 -0.201 0.000 0.907 271 D HN 0.789 nan 8.370 nan 0.000 0.514 272 A N 0.115 122.940 122.820 0.009 0.000 2.345 272 A HA 0.345 4.666 4.320 0.002 0.000 0.225 272 A C 1.835 179.501 177.584 0.137 0.000 1.243 272 A CA 0.370 52.494 52.037 0.146 0.000 0.875 272 A CB 0.166 19.309 19.000 0.238 0.000 0.929 272 A HN 0.176 nan 8.150 nan 0.000 0.502 273 G N -0.345 108.518 108.800 0.106 0.000 3.523 273 G HA2 0.303 4.264 3.960 0.002 0.000 0.270 273 G HA3 0.303 4.264 3.960 0.002 0.000 0.270 273 G C -0.600 174.390 174.900 0.151 0.000 1.134 273 G CA -0.200 44.968 45.100 0.113 0.000 0.825 273 G HN 0.269 nan 8.290 nan 0.000 0.534 274 D N 0.093 120.616 120.400 0.204 0.000 2.225 274 D HA 0.499 5.140 4.640 0.002 0.000 0.249 274 D C -0.708 175.691 176.300 0.165 0.000 1.052 274 D CA -0.324 53.793 54.000 0.195 0.000 0.909 274 D CB 2.136 43.106 40.800 0.283 0.000 1.186 274 D HN -0.010 nan 8.370 nan 0.000 0.431 275 F N 1.128 121.009 119.950 -0.115 0.000 2.697 275 F HA 0.648 5.176 4.527 0.002 0.000 0.386 275 F C -0.831 174.804 175.800 -0.276 0.000 1.154 275 F CA -1.263 56.587 58.000 -0.248 0.000 1.108 275 F CB 1.105 39.993 39.000 -0.186 0.000 1.429 275 F HN 0.092 nan 8.300 nan 0.000 0.509 276 V N 0.376 119.612 119.914 -1.129 0.000 3.040 276 V HA 0.949 5.070 4.120 0.002 0.000 0.312 276 V C -0.891 174.647 176.094 -0.926 0.000 1.115 276 V CA -0.024 61.764 62.300 -0.852 0.000 0.998 276 V CB 1.805 33.226 31.823 -0.670 0.000 1.042 276 V HN 1.122 nan 8.190 nan 0.000 0.433 277 G N 2.605 111.120 108.800 -0.475 0.000 2.720 277 G HA2 0.434 4.395 3.960 0.002 0.000 0.295 277 G HA3 0.434 4.395 3.960 0.002 0.000 0.295 277 G C -1.711 173.081 174.900 -0.180 0.000 1.437 277 G CA -0.813 44.091 45.100 -0.328 0.000 0.886 277 G HN 0.868 nan 8.290 nan 0.000 0.509 278 K N 0.483 120.803 120.400 -0.133 0.000 2.350 278 K HA 0.614 4.935 4.320 0.002 0.000 0.279 278 K C 0.311 176.890 176.600 -0.035 0.000 1.027 278 K CA -0.177 56.066 56.287 -0.073 0.000 0.969 278 K CB 0.905 33.368 32.500 -0.062 0.000 0.954 278 K HN 0.655 nan 8.250 nan 0.000 0.474 279 A N 2.437 125.255 122.820 -0.004 0.000 2.299 279 A HA 0.369 4.690 4.320 0.002 0.000 0.332 279 A C -0.568 177.032 177.584 0.026 0.000 1.131 279 A CA -0.655 51.400 52.037 0.029 0.000 0.844 279 A CB 1.431 20.477 19.000 0.076 0.000 1.251 279 A HN 0.723 nan 8.150 nan 0.000 0.486 280 S N 0.103 115.820 115.700 0.029 0.000 2.584 280 S HA 0.343 4.814 4.470 0.002 0.000 0.273 280 S C 0.808 175.428 174.600 0.033 0.000 1.311 280 S CA -0.500 57.709 58.200 0.016 0.000 1.034 280 S CB 0.202 63.399 63.200 -0.004 0.000 0.939 280 S HN 0.494 nan 8.310 nan 0.000 0.513 281 M N 2.633 122.249 119.600 0.028 0.000 2.561 281 M HA 0.103 4.584 4.480 0.002 0.000 0.238 281 M C 0.766 177.086 176.300 0.033 0.000 1.131 281 M CA 0.345 55.665 55.300 0.035 0.000 1.046 281 M CB -1.390 31.229 32.600 0.032 0.000 1.532 281 M HN 0.603 nan 8.290 nan 0.000 0.497 282 D N 1.006 121.419 120.400 0.021 0.000 2.116 282 D HA -0.125 4.516 4.640 0.002 0.000 0.193 282 D C 2.083 178.403 176.300 0.033 0.000 0.998 282 D CA 1.809 55.822 54.000 0.022 0.000 0.836 282 D CB -0.485 40.312 40.800 -0.005 0.000 0.951 282 D HN 0.430 nan 8.370 nan 0.000 0.449 283 G N 0.354 109.146 108.800 -0.013 0.000 2.408 283 G HA2 -0.175 3.785 3.960 0.002 0.000 0.217 283 G HA3 -0.175 3.785 3.960 0.002 0.000 0.217 283 G C 1.839 176.785 174.900 0.076 0.000 1.150 283 G CA 0.744 45.836 45.100 -0.013 0.000 0.776 283 G HN 0.251 nan 8.290 nan 0.000 0.542 284 V N 0.664 120.615 119.914 0.062 0.000 2.358 284 V HA -0.143 3.978 4.120 0.002 0.000 0.246 284 V C 2.564 178.559 176.094 -0.166 0.000 1.047 284 V CA 2.101 64.368 62.300 -0.056 0.000 1.035 284 V CB -0.318 31.483 31.823 -0.037 0.000 0.658 284 V HN 0.558 nan 8.190 nan 0.000 0.452 285 E N -0.068 120.090 120.200 -0.071 0.000 2.085 285 E HA -0.329 4.022 4.350 0.002 0.000 0.194 285 E C 2.176 178.674 176.600 -0.171 0.000 0.994 285 E CA 1.980 58.319 56.400 -0.101 0.000 0.801 285 E CB -0.183 29.544 29.700 0.046 0.000 0.743 285 E HN 0.811 nan 8.360 nan 0.000 0.453 286 H N 0.185 119.197 119.070 -0.098 0.000 2.321 286 H HA -0.073 4.485 4.556 0.002 0.000 0.300 286 H C 2.202 177.507 175.328 -0.039 0.000 1.087 286 H CA 1.957 57.995 56.048 -0.017 0.000 1.319 286 H CB -0.161 29.677 29.762 0.127 0.000 1.379 286 H HN 0.125 nan 8.280 nan 0.000 0.501 287 L N -0.201 121.008 121.223 -0.024 0.000 2.012 287 L HA -0.206 4.135 4.340 0.002 0.000 0.210 287 L C 2.536 179.178 176.870 -0.379 0.000 1.073 287 L CA 1.177 55.902 54.840 -0.192 0.000 0.748 287 L CB -0.421 41.259 42.059 -0.631 0.000 0.891 287 L HN 0.341 nan 8.230 nan 0.000 0.431 288 L N -0.708 120.111 121.223 -0.674 0.000 2.017 288 L HA -0.236 4.105 4.340 0.002 0.000 0.208 288 L C 2.849 179.334 176.870 -0.642 0.000 1.073 288 L CA 1.414 55.820 54.840 -0.724 0.000 0.745 288 L CB -0.532 40.866 42.059 -1.102 0.000 0.894 288 L HN 0.266 nan 8.230 nan 0.000 0.432 289 R N 0.043 120.078 120.500 -0.774 0.000 2.066 289 R HA -0.130 4.211 4.340 0.002 0.000 0.232 289 R C 1.965 178.141 176.300 -0.208 0.000 1.131 289 R CA 1.228 57.109 56.100 -0.366 0.000 0.955 289 R CB 0.067 30.250 30.300 -0.195 0.000 0.851 289 R HN 0.254 nan 8.270 nan 0.000 0.432 290 E N -0.344 119.668 120.200 -0.315 0.000 2.435 290 E HA -0.081 4.270 4.350 0.002 0.000 0.195 290 E C -0.209 176.064 176.600 -0.546 0.000 1.029 290 E CA 0.649 56.792 56.400 -0.428 0.000 0.865 290 E CB 0.309 29.620 29.700 -0.648 0.000 0.833 290 E HN 0.443 nan 8.360 nan 0.000 0.510 291 Y N 0.643 120.946 120.300 0.006 0.000 2.495 291 Y HA 0.205 4.756 4.550 0.001 0.000 0.362 291 Y C -1.584 174.407 175.900 0.151 0.000 0.956 291 Y CA -1.931 56.240 58.100 0.119 0.000 1.127 291 Y CB 1.160 39.765 38.460 0.241 0.000 1.173 291 Y HN -0.039 nan 8.280 nan 0.000 0.639 292 P HA -0.143 nan 4.420 nan 0.000 0.225 292 P C 0.042 177.424 177.300 0.138 0.000 1.148 292 P CA 1.423 64.612 63.100 0.150 0.000 0.779 292 P CB 0.362 32.120 31.700 0.096 0.000 0.780 293 N N -0.990 117.784 118.700 0.124 0.000 2.336 293 N HA 0.032 4.773 4.740 0.002 0.000 0.189 293 N C 0.060 175.592 175.510 0.035 0.000 1.113 293 N CA -0.183 52.910 53.050 0.071 0.000 0.858 293 N CB -0.176 38.348 38.487 0.062 0.000 0.970 293 N HN 0.204 nan 8.380 nan 0.000 0.471 294 N N 0.509 119.247 118.700 0.062 0.000 2.430 294 N HA 0.280 5.021 4.740 0.002 0.000 0.298 294 N C -0.944 174.425 175.510 -0.234 0.000 1.130 294 N CA -0.422 52.540 53.050 -0.146 0.000 0.894 294 N CB 1.404 39.737 38.487 -0.258 0.000 1.209 294 N HN -0.091 nan 8.380 nan 0.000 0.503 295 K N 1.144 121.301 120.400 -0.406 0.000 2.164 295 K HA 0.495 4.816 4.320 0.002 0.000 0.258 295 K C -1.214 175.196 176.600 -0.317 0.000 0.951 295 K CA -0.450 55.684 56.287 -0.255 0.000 0.844 295 K CB 1.285 33.467 32.500 -0.530 0.000 1.099 295 K HN 0.359 nan 8.250 nan 0.000 0.435 296 F N 2.324 122.478 119.950 0.341 0.000 2.518 296 F HA 0.397 4.925 4.527 0.001 0.000 0.323 296 F C -0.377 175.504 175.800 0.135 0.000 1.129 296 F CA -0.850 57.258 58.000 0.180 0.000 0.920 296 F CB 1.224 40.255 39.000 0.053 0.000 1.160 296 F HN 0.107 nan 8.300 nan 0.000 0.440 297 L N 4.374 125.688 121.223 0.152 0.000 2.296 297 L HA 0.785 5.126 4.340 0.002 0.000 0.286 297 L C -0.930 175.974 176.870 0.056 0.000 1.023 297 L CA -0.796 54.059 54.840 0.025 0.000 0.812 297 L CB 1.663 43.598 42.059 -0.207 0.000 1.223 297 L HN 0.363 nan 8.230 nan 0.000 0.421 298 V N 1.926 121.866 119.914 0.043 0.000 2.841 298 V HA 0.613 4.734 4.120 0.002 0.000 0.310 298 V C -0.398 175.402 176.094 -0.489 0.000 1.090 298 V CA -0.499 61.695 62.300 -0.178 0.000 0.930 298 V CB 2.345 34.075 31.823 -0.155 0.000 1.014 298 V HN 0.736 nan 8.190 nan 0.000 0.425 299 T N 5.212 119.367 114.554 -0.665 0.000 2.952 299 T HA 0.722 5.073 4.350 0.002 0.000 0.305 299 T C -1.038 173.500 174.700 -0.270 0.000 1.064 299 T CA -0.387 61.292 62.100 -0.703 0.000 1.008 299 T CB 1.211 69.280 68.868 -1.331 0.000 1.078 299 T HN 0.555 nan 8.240 nan 0.000 0.459 300 M N 4.302 123.883 119.600 -0.032 0.000 2.535 300 M HA 0.457 4.938 4.480 0.002 0.000 0.314 300 M C 0.234 176.701 176.300 0.278 0.000 1.153 300 M CA -0.872 54.513 55.300 0.141 0.000 0.924 300 M CB 2.229 34.850 32.600 0.036 0.000 1.710 300 M HN 0.497 nan 8.290 nan 0.000 0.451 301 L N 0.842 122.229 121.223 0.273 0.000 2.209 301 L HA 0.184 4.525 4.340 0.002 0.000 0.207 301 L C 0.991 177.842 176.870 -0.031 0.000 1.094 301 L CA 1.275 56.142 54.840 0.045 0.000 0.790 301 L CB 0.165 42.083 42.059 -0.235 0.000 0.932 301 L HN 0.704 nan 8.230 nan 0.000 0.447 302 S N -0.705 114.972 115.700 -0.037 0.000 2.545 302 S HA 0.106 4.577 4.470 0.002 0.000 0.275 302 S C 1.441 176.019 174.600 -0.036 0.000 1.299 302 S CA -0.419 57.736 58.200 -0.074 0.000 1.048 302 S CB 0.769 63.916 63.200 -0.088 0.000 0.938 302 S HN 0.379 nan 8.310 nan 0.000 0.496 303 R N 2.454 122.927 120.500 -0.045 0.000 2.096 303 R HA -0.091 4.250 4.340 0.002 0.000 0.235 303 R C 0.891 177.180 176.300 -0.018 0.000 1.127 303 R CA 1.805 57.892 56.100 -0.022 0.000 0.968 303 R CB -0.179 30.104 30.300 -0.029 0.000 0.861 303 R HN 0.656 nan 8.270 nan 0.000 0.440 304 E N -0.264 119.917 120.200 -0.032 0.000 2.516 304 E HA -0.049 4.302 4.350 0.002 0.000 0.199 304 E C 0.695 177.292 176.600 -0.005 0.000 1.069 304 E CA 0.714 57.101 56.400 -0.022 0.000 0.876 304 E CB -0.005 29.672 29.700 -0.038 0.000 0.843 304 E HN 0.481 nan 8.360 nan 0.000 0.530 305 N N -0.655 118.042 118.700 -0.005 0.000 2.322 305 N HA -0.033 4.708 4.740 0.002 0.000 0.181 305 N C 1.239 176.750 175.510 0.002 0.000 1.088 305 N CA -0.139 52.912 53.050 0.002 0.000 0.885 305 N CB 0.361 38.847 38.487 -0.001 0.000 1.013 305 N HN -0.032 nan 8.380 nan 0.000 0.472 306 Q N 0.586 120.388 119.800 0.004 0.000 2.030 306 Q HA -0.233 4.108 4.340 0.002 0.000 0.204 306 Q C 1.825 177.811 176.000 -0.024 0.000 0.986 306 Q CA 1.495 57.289 55.803 -0.014 0.000 0.843 306 Q CB -0.922 27.812 28.738 -0.006 0.000 0.904 306 Q HN 0.570 nan 8.270 nan 0.000 0.420 307 H N 1.519 120.556 119.070 -0.056 0.000 2.321 307 H HA -0.121 4.436 4.556 0.002 0.000 0.300 307 H C 1.775 177.071 175.328 -0.054 0.000 1.087 307 H CA 1.905 57.917 56.048 -0.060 0.000 1.319 307 H CB 0.309 30.041 29.762 -0.050 0.000 1.379 307 H HN 0.522 nan 8.280 nan 0.000 0.501 308 E N 0.441 120.656 120.200 0.025 0.000 2.204 308 E HA -0.138 4.213 4.350 0.002 0.000 0.194 308 E C 2.395 178.948 176.600 -0.077 0.000 0.989 308 E CA 0.813 57.204 56.400 -0.015 0.000 0.824 308 E CB -0.380 29.350 29.700 0.051 0.000 0.756 308 E HN 0.322 nan 8.360 nan 0.000 0.477 309 L N 1.449 122.624 121.223 -0.081 0.000 2.093 309 L HA -0.108 4.233 4.340 0.002 0.000 0.208 309 L C 2.260 179.054 176.870 -0.126 0.000 1.085 309 L CA 1.215 56.005 54.840 -0.083 0.000 0.755 309 L CB -0.249 41.760 42.059 -0.083 0.000 0.904 309 L HN 0.011 nan 8.230 nan 0.000 0.435 310 V N -1.041 118.753 119.914 -0.201 0.000 2.295 310 V HA -0.271 3.850 4.120 0.002 0.000 0.246 310 V C 2.524 178.487 176.094 -0.217 0.000 1.049 310 V CA 1.698 63.852 62.300 -0.244 0.000 1.024 310 V CB -0.630 30.994 31.823 -0.332 0.000 0.648 310 V HN 0.348 nan 8.190 nan 0.000 0.447 311 V N -0.308 119.450 119.914 -0.260 0.000 2.392 311 V HA -0.251 3.869 4.120 0.002 0.000 0.249 311 V C 2.382 178.419 176.094 -0.094 0.000 1.059 311 V CA 1.957 64.148 62.300 -0.180 0.000 1.051 311 V CB -0.669 31.061 31.823 -0.156 0.000 0.658 311 V HN 0.481 nan 8.190 nan 0.000 0.455 312 L N 0.915 122.108 121.223 -0.050 0.000 2.083 312 L HA -0.064 4.276 4.340 0.002 0.000 0.209 312 L C 2.454 179.363 176.870 0.066 0.000 1.083 312 L CA 2.218 57.085 54.840 0.046 0.000 0.752 312 L CB -0.942 41.162 42.059 0.075 0.000 0.899 312 L HN 0.241 nan 8.230 nan 0.000 0.433 313 A N -0.763 122.059 122.820 0.003 0.000 2.019 313 A HA -0.195 4.126 4.320 0.002 0.000 0.219 313 A C 2.374 179.950 177.584 -0.015 0.000 1.164 313 A CA 1.472 53.517 52.037 0.013 0.000 0.644 313 A CB -0.521 18.458 19.000 -0.035 0.000 0.805 313 A HN 0.490 nan 8.150 nan 0.000 0.449 314 R N -0.556 119.904 120.500 -0.067 0.000 2.148 314 R HA -0.045 4.296 4.340 0.002 0.000 0.227 314 R C 1.578 177.791 176.300 -0.144 0.000 1.103 314 R CA 1.100 57.146 56.100 -0.089 0.000 0.983 314 R CB -0.041 30.198 30.300 -0.101 0.000 0.874 314 R HN 0.315 nan 8.270 nan 0.000 0.451 315 K N -0.204 120.061 120.400 -0.225 0.000 2.166 315 K HA 0.065 4.386 4.320 0.002 0.000 0.201 315 K C 0.083 176.207 176.600 -0.793 0.000 1.052 315 K CA 0.804 56.759 56.287 -0.554 0.000 0.969 315 K CB 0.329 32.365 32.500 -0.773 0.000 0.761 315 K HN 0.007 nan 8.250 nan 0.000 0.459 316 F N 0.821 120.780 119.950 0.014 0.000 2.499 316 F HA 0.145 4.672 4.527 0.000 0.000 0.333 316 F C 1.234 177.078 175.800 0.073 0.000 1.138 316 F CA -0.879 57.147 58.000 0.043 0.000 0.945 316 F CB 1.767 40.792 39.000 0.043 0.000 1.181 316 F HN -0.134 nan 8.300 nan 0.000 0.435 317 S N 0.317 116.161 115.700 0.239 0.000 2.481 317 S HA -0.154 4.317 4.470 0.002 0.000 0.231 317 S C 1.169 175.954 174.600 0.309 0.000 0.996 317 S CA 0.854 59.181 58.200 0.212 0.000 0.942 317 S CB -0.450 62.844 63.200 0.156 0.000 0.768 317 S HN 0.702 nan 8.310 nan 0.000 0.520 318 N N 1.243 120.156 118.700 0.355 0.000 2.370 318 N HA 0.125 4.866 4.740 0.002 0.000 0.198 318 N C -0.145 175.686 175.510 0.536 0.000 1.156 318 N CA -0.220 53.085 53.050 0.425 0.000 0.839 318 N CB -0.233 38.465 38.487 0.352 0.000 0.989 318 N HN 0.477 nan 8.380 nan 0.000 0.468 319 L N 0.613 122.060 121.223 0.373 0.000 2.333 319 L HA 0.623 4.964 4.340 0.002 0.000 0.280 319 L C -1.050 175.809 176.870 -0.018 0.000 1.004 319 L CA -0.786 54.187 54.840 0.221 0.000 0.820 319 L CB 1.738 43.895 42.059 0.164 0.000 1.247 319 L HN 0.041 nan 8.230 nan 0.000 0.416 320 M N 7.304 126.727 119.600 -0.295 0.000 2.085 320 M HA 0.527 5.008 4.480 0.002 0.000 0.309 320 M C -1.098 175.086 176.300 -0.193 0.000 0.947 320 M CA -0.736 54.261 55.300 -0.506 0.000 0.918 320 M CB 1.083 32.812 32.600 -1.451 0.000 1.504 320 M HN 0.542 nan 8.290 nan 0.000 0.420 321 I N 2.638 123.169 120.570 -0.065 0.000 2.499 321 I HA 0.810 4.981 4.170 0.002 0.000 0.296 321 I C -1.236 174.944 176.117 0.106 0.000 0.992 321 I CA -0.673 60.611 61.300 -0.027 0.000 1.297 321 I CB 0.971 38.924 38.000 -0.077 0.000 1.410 321 I HN 0.774 nan 8.210 nan 0.000 0.507 322 F N 2.709 122.622 119.950 -0.061 0.000 2.601 322 F HA 0.893 5.421 4.527 0.002 0.000 0.309 322 F C 0.106 175.958 175.800 0.086 0.000 1.089 322 F CA -0.324 57.676 58.000 -0.001 0.000 0.940 322 F CB 0.782 39.722 39.000 -0.099 0.000 1.273 322 F HN 1.064 nan 8.300 nan 0.000 0.450 323 G N 0.543 109.535 108.800 0.319 0.000 2.939 323 G HA2 -0.175 3.786 3.960 0.002 0.000 0.278 323 G HA3 -0.175 3.786 3.960 0.002 0.000 0.278 323 G C -1.081 173.901 174.900 0.137 0.000 1.487 323 G CA -0.446 44.852 45.100 0.331 0.000 0.935 323 G HN 1.370 nan 8.290 nan 0.000 0.553 324 C N -0.048 119.316 119.300 0.106 0.000 2.492 324 C HA 0.405 4.866 4.460 0.002 0.000 0.284 324 C C 0.186 175.286 174.990 0.183 0.000 1.082 324 C CA -0.746 58.339 59.018 0.111 0.000 1.555 324 C CB -0.620 27.160 27.740 0.067 0.000 1.798 324 C HN 0.640 nan 8.230 nan 0.000 0.413 325 W N 4.456 125.802 121.300 0.076 0.000 2.303 325 W HA 0.365 5.027 4.660 0.003 0.000 0.318 325 W C 0.780 177.455 176.519 0.260 0.000 1.362 325 W CA 0.215 57.673 57.345 0.188 0.000 1.234 325 W CB 0.079 29.665 29.460 0.210 0.000 1.248 325 W HN 0.843 nan 8.180 nan 0.000 0.546 326 W N 4.041 125.311 121.300 -0.050 0.000 2.440 326 W HA -0.457 4.204 4.660 0.001 0.000 0.307 326 W C 1.431 177.746 176.519 -0.341 0.000 1.765 326 W CA 2.220 59.325 57.345 -0.400 0.000 1.844 326 W CB -2.159 26.601 29.460 -1.167 0.000 0.921 326 W HN 0.370 nan 8.180 nan 0.000 0.464 327 F N 0.791 120.744 119.950 0.005 0.000 2.641 327 F HA -0.108 4.420 4.527 0.002 0.000 0.298 327 F C 2.367 178.149 175.800 -0.030 0.000 1.146 327 F CA 1.659 59.584 58.000 -0.125 0.000 1.464 327 F CB -0.791 37.994 39.000 -0.358 0.000 1.101 327 F HN -0.143 nan 8.300 nan 0.000 0.585 328 M N -1.292 118.394 119.600 0.143 0.000 2.510 328 M HA 0.065 4.546 4.480 0.002 0.000 0.256 328 M C 0.775 177.154 176.300 0.132 0.000 1.132 328 M CA 0.490 55.864 55.300 0.124 0.000 1.105 328 M CB -0.829 31.846 32.600 0.124 0.000 1.375 328 M HN -0.050 nan 8.290 nan 0.000 0.477 329 N N 2.912 121.710 118.700 0.164 0.000 3.243 329 N HA 0.054 4.795 4.740 0.002 0.000 0.310 329 N C -1.161 174.461 175.510 0.187 0.000 1.313 329 N CA 0.185 53.328 53.050 0.155 0.000 1.204 329 N CB -0.219 38.366 38.487 0.162 0.000 1.483 329 N HN 0.185 nan 8.380 nan 0.000 0.553 330 N N 0.046 118.838 118.700 0.153 0.000 2.225 330 N HA 0.243 4.984 4.740 0.002 0.000 0.298 330 N C -2.019 173.557 175.510 0.110 0.000 1.076 330 N CA -1.329 51.809 53.050 0.147 0.000 0.792 330 N CB 2.304 40.869 38.487 0.129 0.000 1.498 330 N HN -0.024 nan 8.380 nan 0.000 0.474 331 P HA -0.247 nan 4.420 nan 0.000 0.219 331 P C 1.181 178.519 177.300 0.062 0.000 1.161 331 P CA 1.684 64.832 63.100 0.079 0.000 0.909 331 P CB 0.481 32.216 31.700 0.058 0.000 0.793 332 E N -0.885 119.346 120.200 0.052 0.000 2.118 332 E HA -0.178 4.173 4.350 0.002 0.000 0.195 332 E C 1.779 178.402 176.600 0.039 0.000 0.992 332 E CA 1.367 57.790 56.400 0.038 0.000 0.804 332 E CB -0.776 28.941 29.700 0.029 0.000 0.741 332 E HN 0.087 nan 8.360 nan 0.000 0.458 333 I N 0.198 120.797 120.570 0.049 0.000 2.400 333 I HA -0.095 4.076 4.170 0.002 0.000 0.248 333 I C 2.348 178.495 176.117 0.050 0.000 1.109 333 I CA 0.681 62.008 61.300 0.046 0.000 1.425 333 I CB -0.962 37.071 38.000 0.054 0.000 1.094 333 I HN 0.177 nan 8.210 nan 0.000 0.425 334 I N 1.382 121.991 120.570 0.065 0.000 2.208 334 I HA -0.354 3.817 4.170 0.002 0.000 0.245 334 I C 2.385 178.539 176.117 0.063 0.000 1.097 334 I CA 1.720 63.061 61.300 0.069 0.000 1.363 334 I CB -0.532 37.518 38.000 0.084 0.000 1.051 334 I HN 0.306 nan 8.210 nan 0.000 0.413 335 N N 1.189 119.924 118.700 0.058 0.000 2.039 335 N HA -0.267 4.474 4.740 0.002 0.000 0.193 335 N C 1.860 177.391 175.510 0.034 0.000 1.044 335 N CA 2.026 55.107 53.050 0.051 0.000 0.847 335 N CB -0.175 38.340 38.487 0.046 0.000 1.030 335 N HN 0.514 nan 8.380 nan 0.000 0.422 336 E N -0.149 120.067 120.200 0.026 0.000 2.110 336 E HA -0.223 4.128 4.350 0.002 0.000 0.193 336 E C 2.042 178.643 176.600 0.001 0.000 0.988 336 E CA 1.125 57.533 56.400 0.013 0.000 0.804 336 E CB -0.378 29.329 29.700 0.011 0.000 0.745 336 E HN 0.432 nan 8.360 nan 0.000 0.458 337 M N 0.934 120.535 119.600 0.002 0.000 2.086 337 M HA -0.108 4.372 4.480 0.002 0.000 0.261 337 M C 2.360 178.620 176.300 -0.066 0.000 1.067 337 M CA 2.154 57.437 55.300 -0.029 0.000 1.116 337 M CB -0.285 32.310 32.600 -0.009 0.000 1.348 337 M HN 0.163 nan 8.290 nan 0.000 0.407 338 T N -0.004 114.547 114.554 -0.005 0.000 2.746 338 T HA -0.124 4.227 4.350 0.002 0.000 0.267 338 T C 1.817 176.512 174.700 -0.009 0.000 1.039 338 T CA 1.225 63.344 62.100 0.032 0.000 1.142 338 T CB -0.258 68.680 68.868 0.117 0.000 0.866 338 T HN 0.360 nan 8.240 nan 0.000 0.444 339 R N 0.437 120.933 120.500 -0.006 0.000 2.066 339 R HA 0.108 4.449 4.340 0.002 0.000 0.232 339 R C 2.647 178.914 176.300 -0.056 0.000 1.131 339 R CA 1.246 57.338 56.100 -0.014 0.000 0.955 339 R CB -0.310 29.991 30.300 0.002 0.000 0.851 339 R HN 0.384 nan 8.270 nan 0.000 0.432 340 M N -0.124 119.434 119.600 -0.070 0.000 2.117 340 M HA -0.178 4.303 4.480 0.002 0.000 0.262 340 M C 2.247 178.428 176.300 -0.198 0.000 1.065 340 M CA 1.738 56.987 55.300 -0.086 0.000 1.114 340 M CB -0.277 32.296 32.600 -0.045 0.000 1.361 340 M HN 0.099 nan 8.290 nan 0.000 0.408 341 R N -0.123 120.175 120.500 -0.337 0.000 2.073 341 R HA -0.110 4.230 4.340 0.002 0.000 0.234 341 R C 2.238 178.218 176.300 -0.534 0.000 1.134 341 R CA 1.641 57.339 56.100 -0.670 0.000 0.952 341 R CB -0.364 29.149 30.300 -1.312 0.000 0.850 341 R HN 0.360 nan 8.270 nan 0.000 0.433 342 M N 0.920 120.376 119.600 -0.241 0.000 2.175 342 M HA -0.151 4.330 4.480 0.002 0.000 0.264 342 M C 1.500 177.788 176.300 -0.020 0.000 1.063 342 M CA 1.707 57.043 55.300 0.060 0.000 1.119 342 M CB 0.159 32.838 32.600 0.131 0.000 1.377 342 M HN 0.088 nan 8.290 nan 0.000 0.415 343 E N -0.259 119.905 120.200 -0.059 0.000 2.153 343 E HA -0.187 4.164 4.350 0.002 0.000 0.194 343 E C 1.700 178.265 176.600 -0.060 0.000 0.988 343 E CA 1.338 57.708 56.400 -0.051 0.000 0.811 343 E CB -0.063 29.613 29.700 -0.040 0.000 0.746 343 E HN 0.609 nan 8.360 nan 0.000 0.466 344 M N -0.484 119.060 119.600 -0.093 0.000 2.367 344 M HA 0.138 4.619 4.480 0.002 0.000 0.256 344 M C 1.221 177.471 176.300 -0.084 0.000 1.091 344 M CA 0.343 55.586 55.300 -0.095 0.000 1.049 344 M CB 0.838 33.357 32.600 -0.135 0.000 1.406 344 M HN 0.039 nan 8.290 nan 0.000 0.498 345 L N -1.337 119.843 121.223 -0.072 0.000 2.966 345 L HA 0.407 4.748 4.340 0.002 0.000 0.262 345 L C 1.281 178.206 176.870 0.092 0.000 1.165 345 L CA -0.017 54.824 54.840 0.001 0.000 0.978 345 L CB 0.275 42.327 42.059 -0.012 0.000 1.337 345 L HN 0.438 nan 8.230 nan 0.000 0.563 346 G N 1.961 110.805 108.800 0.073 0.000 2.574 346 G HA2 -0.432 3.529 3.960 0.002 0.000 0.301 346 G HA3 -0.432 3.529 3.960 0.002 0.000 0.301 346 G C 0.748 175.745 174.900 0.162 0.000 1.166 346 G CA 0.830 45.973 45.100 0.070 0.000 0.971 346 G HN 0.324 nan 8.290 nan 0.000 0.542 347 T N -2.144 112.456 114.554 0.078 0.000 3.129 347 T HA 0.507 4.858 4.350 0.002 0.000 0.267 347 T C 1.330 176.001 174.700 -0.047 0.000 1.018 347 T CA 1.161 63.240 62.100 -0.035 0.000 0.903 347 T CB 0.146 68.975 68.868 -0.066 0.000 1.067 347 T HN 1.666 nan 8.240 nan 0.000 0.549 348 S N 1.759 117.528 115.700 0.116 0.000 3.456 348 S HA 0.533 5.004 4.470 0.002 0.000 0.229 348 S C -0.124 174.594 174.600 0.197 0.000 1.416 348 S CA -1.068 57.195 58.200 0.104 0.000 1.197 348 S CB -1.594 61.662 63.200 0.094 0.000 1.201 348 S HN 0.682 nan 8.310 nan 0.000 0.479 349 F N -2.263 117.656 119.950 -0.050 0.000 2.773 349 F HA 0.650 5.178 4.527 0.001 0.000 0.314 349 F C -1.665 174.103 175.800 -0.052 0.000 1.160 349 F CA -1.745 56.217 58.000 -0.063 0.000 0.920 349 F CB 0.727 39.689 39.000 -0.064 0.000 1.323 349 F HN -0.051 nan 8.300 nan 0.000 0.457 350 I N 3.510 124.110 120.570 0.049 0.000 2.337 350 I HA 0.278 4.449 4.170 0.002 0.000 0.285 350 I C -1.561 174.629 176.117 0.122 0.000 1.041 350 I CA -1.936 59.344 61.300 -0.032 0.000 1.199 350 I CB 1.490 39.541 38.000 0.085 0.000 1.370 350 I HN 0.465 nan 8.210 nan 0.000 0.470 351 P HA -0.182 nan 4.420 nan 0.000 0.216 351 P C 0.351 177.750 177.300 0.166 0.000 1.150 351 P CA 1.469 64.662 63.100 0.154 0.000 0.843 351 P CB 0.476 32.121 31.700 -0.092 0.000 0.787 352 Q N -1.585 118.313 119.800 0.164 0.000 2.630 352 Q HA 0.366 4.707 4.340 0.002 0.000 0.295 352 Q C -1.211 174.974 176.000 0.308 0.000 0.944 352 Q CA -0.784 55.116 55.803 0.162 0.000 0.766 352 Q CB 1.266 30.004 28.738 -0.001 0.000 1.471 352 Q HN 0.274 nan 8.270 nan 0.000 0.416 353 H N -1.209 117.875 119.070 0.024 0.000 3.016 353 H HA 0.483 5.040 4.556 0.002 0.000 0.362 353 H C -0.538 174.644 175.328 -0.243 0.000 1.233 353 H CA -0.127 55.962 56.048 0.068 0.000 1.124 353 H CB 1.347 31.229 29.762 0.200 0.000 1.850 353 H HN 0.692 nan 8.280 nan 0.000 0.549 354 S N -0.237 115.331 115.700 -0.220 0.000 2.404 354 S HA -0.082 4.389 4.470 0.002 0.000 0.223 354 S C 0.602 175.069 174.600 -0.221 0.000 1.040 354 S CA 0.942 58.882 58.200 -0.433 0.000 0.957 354 S CB -0.217 62.791 63.200 -0.320 0.000 0.826 354 S HN 0.783 nan 8.310 nan 0.000 0.491 355 D N 1.093 121.503 120.400 0.017 0.000 3.076 355 D HA -0.141 4.500 4.640 0.002 0.000 0.218 355 D C 0.167 176.479 176.300 0.019 0.000 1.156 355 D CA 0.877 54.936 54.000 0.099 0.000 0.921 355 D CB -1.560 39.423 40.800 0.304 0.000 1.113 355 D HN 0.775 nan 8.370 nan 0.000 0.418 356 A N 0.267 123.022 122.820 -0.107 0.000 2.548 356 A HA 0.162 4.483 4.320 0.002 0.000 0.247 356 A C 1.401 178.960 177.584 -0.042 0.000 1.067 356 A CA 0.690 52.635 52.037 -0.153 0.000 0.757 356 A CB 0.332 19.241 19.000 -0.153 0.000 0.996 356 A HN 0.338 nan 8.150 nan 0.000 0.504 357 R N 1.290 121.750 120.500 -0.067 0.000 2.279 357 R HA 0.202 4.543 4.340 0.002 0.000 0.195 357 R C -0.646 175.677 176.300 0.038 0.000 0.905 357 R CA 0.335 56.473 56.100 0.064 0.000 1.044 357 R CB 0.621 31.011 30.300 0.149 0.000 1.056 357 R HN 0.526 nan 8.270 nan 0.000 0.535 358 V N 1.711 121.578 119.914 -0.078 0.000 2.444 358 V HA 0.039 4.160 4.120 0.002 0.000 0.294 358 V C 0.858 176.958 176.094 0.010 0.000 1.022 358 V CA -0.462 61.832 62.300 -0.011 0.000 0.850 358 V CB 1.812 33.589 31.823 -0.077 0.000 0.992 358 V HN 0.062 nan 8.190 nan 0.000 0.426 359 L N 4.675 125.968 121.223 0.117 0.000 2.040 359 L HA -0.247 4.094 4.340 0.002 0.000 0.228 359 L C 2.269 179.191 176.870 0.088 0.000 1.092 359 L CA 2.443 57.355 54.840 0.120 0.000 0.805 359 L CB -0.425 41.741 42.059 0.179 0.000 0.905 359 L HN 0.817 nan 8.230 nan 0.000 0.443 360 E N -0.493 119.783 120.200 0.127 0.000 2.171 360 E HA -0.262 4.089 4.350 0.002 0.000 0.197 360 E C 2.149 178.778 176.600 0.049 0.000 0.997 360 E CA 1.458 57.932 56.400 0.125 0.000 0.810 360 E CB -0.347 29.456 29.700 0.172 0.000 0.738 360 E HN 0.680 nan 8.360 nan 0.000 0.467 361 Q N -0.033 119.740 119.800 -0.044 0.000 2.248 361 Q HA -0.163 4.177 4.340 0.002 0.000 0.208 361 Q C 2.060 177.878 176.000 -0.303 0.000 0.984 361 Q CA 0.891 56.564 55.803 -0.217 0.000 0.875 361 Q CB -0.288 28.209 28.738 -0.402 0.000 0.910 361 Q HN 0.368 nan 8.270 nan 0.000 0.433 362 L N 0.206 121.365 121.223 -0.106 0.000 2.127 362 L HA -0.230 4.110 4.340 0.002 0.000 0.211 362 L C 2.206 179.134 176.870 0.096 0.000 1.089 362 L CA 0.963 55.825 54.840 0.037 0.000 0.757 362 L CB -0.438 41.692 42.059 0.119 0.000 0.899 362 L HN 0.293 nan 8.230 nan 0.000 0.434 363 I N -0.838 119.764 120.570 0.053 0.000 2.113 363 I HA -0.342 3.829 4.170 0.002 0.000 0.238 363 I C 2.637 178.810 176.117 0.093 0.000 1.070 363 I CA 1.799 63.160 61.300 0.103 0.000 1.332 363 I CB -0.451 37.609 38.000 0.101 0.000 1.044 363 I HN 0.283 nan 8.210 nan 0.000 0.402 364 Y N 1.279 121.505 120.300 -0.122 0.000 2.286 364 Y HA -0.018 4.533 4.550 0.002 0.000 0.293 364 Y C 2.273 177.909 175.900 -0.441 0.000 1.124 364 Y CA 0.702 58.567 58.100 -0.391 0.000 1.178 364 Y CB -0.663 37.476 38.460 -0.535 0.000 1.010 364 Y HN -0.141 nan 8.280 nan 0.000 0.536 365 K N 0.534 120.375 120.400 -0.932 0.000 2.020 365 K HA -0.227 4.094 4.320 0.002 0.000 0.212 365 K C 1.764 178.064 176.600 -0.499 0.000 1.050 365 K CA 2.241 58.021 56.287 -0.844 0.000 0.929 365 K CB -1.128 30.805 32.500 -0.945 0.000 0.714 365 K HN 0.581 nan 8.250 nan 0.000 0.443 366 W N 0.221 121.465 121.300 -0.094 0.000 2.476 366 W HA -0.074 4.587 4.660 0.002 0.000 0.281 366 W C 2.442 179.017 176.519 0.093 0.000 1.230 366 W CA 0.608 57.964 57.345 0.019 0.000 1.287 366 W CB -0.376 29.076 29.460 -0.013 0.000 1.108 366 W HN 0.332 nan 8.180 nan 0.000 0.567 367 H N -0.196 118.997 119.070 0.206 0.000 2.293 367 H HA -0.162 4.395 4.556 0.002 0.000 0.300 367 H C 1.825 177.337 175.328 0.307 0.000 1.082 367 H CA 2.364 58.548 56.048 0.227 0.000 1.308 367 H CB -0.644 29.247 29.762 0.216 0.000 1.375 367 H HN 0.295 nan 8.280 nan 0.000 0.495 368 H N -0.691 118.619 119.070 0.400 0.000 2.387 368 H HA -0.065 4.492 4.556 0.002 0.000 0.299 368 H C 2.449 177.887 175.328 0.184 0.000 1.090 368 H CA 0.944 57.171 56.048 0.298 0.000 1.332 368 H CB 0.414 30.342 29.762 0.277 0.000 1.386 368 H HN 0.271 nan 8.280 nan 0.000 0.516 369 S N 0.247 116.106 115.700 0.265 0.000 2.395 369 S HA -0.050 4.421 4.470 0.002 0.000 0.225 369 S C 1.902 176.667 174.600 0.274 0.000 1.027 369 S CA 0.571 58.891 58.200 0.200 0.000 0.965 369 S CB 0.130 63.369 63.200 0.066 0.000 0.812 369 S HN 0.334 nan 8.310 nan 0.000 0.482 370 K N 1.570 122.153 120.400 0.304 0.000 2.097 370 K HA -0.089 4.232 4.320 0.002 0.000 0.206 370 K C 2.548 179.251 176.600 0.170 0.000 1.049 370 K CA 1.532 57.981 56.287 0.270 0.000 0.933 370 K CB -0.283 32.282 32.500 0.108 0.000 0.717 370 K HN 0.467 nan 8.250 nan 0.000 0.442 371 S N 1.215 116.982 115.700 0.111 0.000 2.370 371 S HA -0.163 4.308 4.470 0.002 0.000 0.226 371 S C 2.024 176.692 174.600 0.113 0.000 1.033 371 S CA 1.108 59.357 58.200 0.082 0.000 1.011 371 S CB -0.563 62.683 63.200 0.076 0.000 0.852 371 S HN 0.210 nan 8.310 nan 0.000 0.457 372 I N 1.303 121.956 120.570 0.137 0.000 2.233 372 I HA -0.075 4.096 4.170 0.002 0.000 0.243 372 I C 2.443 178.642 176.117 0.136 0.000 1.093 372 I CA 1.205 62.579 61.300 0.124 0.000 1.380 372 I CB -0.389 37.684 38.000 0.122 0.000 1.067 372 I HN 0.274 nan 8.210 nan 0.000 0.413 373 I N 0.927 121.606 120.570 0.182 0.000 2.226 373 I HA -0.292 3.879 4.170 0.002 0.000 0.245 373 I C 2.812 179.038 176.117 0.181 0.000 1.100 373 I CA 1.318 62.736 61.300 0.196 0.000 1.374 373 I CB -0.488 37.690 38.000 0.297 0.000 1.057 373 I HN 0.187 nan 8.210 nan 0.000 0.413 374 A N 0.658 123.590 122.820 0.187 0.000 1.902 374 A HA -0.236 4.085 4.320 0.002 0.000 0.217 374 A C 2.196 179.856 177.584 0.126 0.000 1.181 374 A CA 1.783 53.914 52.037 0.158 0.000 0.623 374 A CB -0.606 18.468 19.000 0.122 0.000 0.818 374 A HN 0.457 nan 8.150 nan 0.000 0.443 375 E N -0.366 119.898 120.200 0.106 0.000 2.058 375 E HA -0.148 4.203 4.350 0.002 0.000 0.194 375 E C 1.990 178.637 176.600 0.078 0.000 0.997 375 E CA 1.419 57.871 56.400 0.087 0.000 0.801 375 E CB -0.354 29.392 29.700 0.076 0.000 0.746 375 E HN 0.407 nan 8.360 nan 0.000 0.450 376 V N 1.483 121.442 119.914 0.075 0.000 2.295 376 V HA -0.263 3.858 4.120 0.002 0.000 0.246 376 V C 2.358 178.462 176.094 0.018 0.000 1.049 376 V CA 1.533 63.863 62.300 0.050 0.000 1.024 376 V CB -0.484 31.376 31.823 0.062 0.000 0.648 376 V HN 0.254 nan 8.190 nan 0.000 0.447 377 L N -0.687 120.551 121.223 0.024 0.000 2.042 377 L HA -0.217 4.124 4.340 0.002 0.000 0.210 377 L C 2.378 179.273 176.870 0.041 0.000 1.076 377 L CA 1.732 56.533 54.840 -0.066 0.000 0.749 377 L CB -0.506 41.591 42.059 0.063 0.000 0.893 377 L HN 0.276 nan 8.230 nan 0.000 0.432 378 I N -0.345 120.314 120.570 0.149 0.000 2.163 378 I HA -0.336 3.835 4.170 0.002 0.000 0.243 378 I C 2.178 178.377 176.117 0.137 0.000 1.085 378 I CA 1.361 62.773 61.300 0.187 0.000 1.347 378 I CB -0.454 37.626 38.000 0.133 0.000 1.044 378 I HN 0.309 nan 8.210 nan 0.000 0.408 379 D N 0.889 121.335 120.400 0.077 0.000 2.097 379 D HA -0.170 4.471 4.640 0.002 0.000 0.195 379 D C 2.178 178.500 176.300 0.038 0.000 0.989 379 D CA 1.339 55.372 54.000 0.055 0.000 0.827 379 D CB -0.149 40.672 40.800 0.036 0.000 0.966 379 D HN 0.118 nan 8.370 nan 0.000 0.456 380 K N -0.068 120.320 120.400 -0.020 0.000 2.097 380 K HA -0.103 4.218 4.320 0.002 0.000 0.206 380 K C 2.065 178.650 176.600 -0.026 0.000 1.049 380 K CA 0.712 56.955 56.287 -0.074 0.000 0.933 380 K CB -0.595 31.798 32.500 -0.177 0.000 0.717 380 K HN 0.227 nan 8.250 nan 0.000 0.442 381 Y N 0.728 121.058 120.300 0.049 0.000 2.200 381 Y HA -0.158 4.393 4.550 0.001 0.000 0.290 381 Y C 2.069 178.012 175.900 0.071 0.000 1.137 381 Y CA 1.271 59.410 58.100 0.065 0.000 1.163 381 Y CB -0.698 37.809 38.460 0.079 0.000 0.988 381 Y HN 0.166 nan 8.280 nan 0.000 0.518 382 D N -0.322 120.213 120.400 0.226 0.000 2.178 382 D HA -0.155 4.486 4.640 0.002 0.000 0.201 382 D C 1.503 177.872 176.300 0.115 0.000 0.980 382 D CA 1.350 55.439 54.000 0.149 0.000 0.842 382 D CB -0.065 40.803 40.800 0.112 0.000 0.948 382 D HN 0.175 nan 8.370 nan 0.000 0.472 383 D N -0.329 120.126 120.400 0.093 0.000 2.117 383 D HA -0.093 4.548 4.640 0.002 0.000 0.198 383 D C 2.178 178.521 176.300 0.073 0.000 0.982 383 D CA 0.924 54.962 54.000 0.063 0.000 0.828 383 D CB -0.271 40.548 40.800 0.032 0.000 0.967 383 D HN 0.542 nan 8.370 nan 0.000 0.464 384 I N -1.915 118.708 120.570 0.088 0.000 2.761 384 I HA -0.051 4.120 4.170 0.002 0.000 0.261 384 I C 2.001 178.241 176.117 0.205 0.000 1.198 384 I CA 0.416 61.774 61.300 0.097 0.000 1.482 384 I CB -0.135 37.861 38.000 -0.006 0.000 1.100 384 I HN -0.139 nan 8.210 nan 0.000 0.445 385 L N 1.075 122.420 121.223 0.204 0.000 2.056 385 L HA -0.117 4.223 4.340 0.002 0.000 0.207 385 L C 2.631 179.584 176.870 0.139 0.000 1.078 385 L CA 1.783 56.738 54.840 0.193 0.000 0.749 385 L CB -0.796 41.356 42.059 0.155 0.000 0.901 385 L HN 0.259 nan 8.230 nan 0.000 0.433 386 Q N -0.905 118.961 119.800 0.111 0.000 2.291 386 Q HA 0.024 4.365 4.340 0.002 0.000 0.205 386 Q C 1.895 177.946 176.000 0.084 0.000 0.970 386 Q CA 1.159 57.012 55.803 0.083 0.000 0.876 386 Q CB -0.319 28.459 28.738 0.066 0.000 0.935 386 Q HN 0.554 nan 8.270 nan 0.000 0.455 387 A N -0.565 122.319 122.820 0.105 0.000 2.278 387 A HA 0.396 4.717 4.320 0.002 0.000 0.212 387 A C 1.349 179.015 177.584 0.135 0.000 1.213 387 A CA 0.789 52.888 52.037 0.104 0.000 0.840 387 A CB -0.093 18.964 19.000 0.095 0.000 0.866 387 A HN 0.367 nan 8.150 nan 0.000 0.489 388 G N -2.352 106.532 108.800 0.141 0.000 2.157 388 G HA2 -0.250 3.711 3.960 0.002 0.000 0.239 388 G HA3 -0.250 3.711 3.960 0.002 0.000 0.239 388 G C 0.025 175.028 174.900 0.171 0.000 0.982 388 G CA 0.077 45.253 45.100 0.126 0.000 0.650 388 G HN 0.678 nan 8.290 nan 0.000 0.527 389 W N 1.487 122.806 121.300 0.032 0.000 2.313 389 W HA 0.634 5.294 4.660 0.000 0.000 0.328 389 W C -0.421 176.116 176.519 0.029 0.000 1.197 389 W CA -0.144 57.221 57.345 0.035 0.000 1.235 389 W CB 0.787 30.276 29.460 0.049 0.000 1.158 389 W HN 0.201 nan 8.180 nan 0.000 0.578 390 E N 3.792 123.737 120.200 -0.426 0.000 2.155 390 E HA 0.218 4.569 4.350 0.002 0.000 0.264 390 E C -0.595 175.853 176.600 -0.253 0.000 0.886 390 E CA -0.642 55.611 56.400 -0.244 0.000 0.752 390 E CB 2.152 31.706 29.700 -0.244 0.000 1.133 390 E HN 0.290 nan 8.360 nan 0.000 0.414 391 V N 0.876 120.794 119.914 0.007 0.000 2.407 391 V HA 0.493 4.614 4.120 0.002 0.000 0.278 391 V C 0.341 176.403 176.094 -0.053 0.000 1.037 391 V CA -0.693 61.636 62.300 0.047 0.000 0.900 391 V CB 0.996 32.836 31.823 0.029 0.000 0.983 391 V HN 0.696 nan 8.190 nan 0.000 0.459 392 T N 0.408 114.938 114.554 -0.042 0.000 2.904 392 T HA 0.324 4.675 4.350 0.002 0.000 0.290 392 T C 0.793 175.457 174.700 -0.060 0.000 1.018 392 T CA 0.274 62.343 62.100 -0.051 0.000 1.075 392 T CB 1.505 70.353 68.868 -0.034 0.000 0.986 392 T HN 0.901 nan 8.240 nan 0.000 0.523 393 E N 0.122 120.289 120.200 -0.055 0.000 2.204 393 E HA -0.178 4.173 4.350 0.002 0.000 0.195 393 E C 1.745 178.328 176.600 -0.029 0.000 0.990 393 E CA 0.908 57.276 56.400 -0.054 0.000 0.821 393 E CB 0.047 29.724 29.700 -0.038 0.000 0.750 393 E HN 0.809 nan 8.360 nan 0.000 0.477 394 E N 0.836 121.027 120.200 -0.015 0.000 2.152 394 E HA -0.160 4.191 4.350 0.002 0.000 0.192 394 E C 1.483 178.097 176.600 0.023 0.000 0.983 394 E CA 1.240 57.642 56.400 0.004 0.000 0.818 394 E CB 0.115 29.817 29.700 0.005 0.000 0.758 394 E HN 0.332 nan 8.360 nan 0.000 0.467 395 E N -0.259 119.957 120.200 0.026 0.000 2.152 395 E HA -0.091 4.260 4.350 0.002 0.000 0.192 395 E C 2.078 178.725 176.600 0.079 0.000 0.983 395 E CA 0.832 57.272 56.400 0.068 0.000 0.818 395 E CB -0.047 29.713 29.700 0.101 0.000 0.758 395 E HN 0.350 nan 8.360 nan 0.000 0.467 396 I N 1.341 121.918 120.570 0.011 0.000 2.252 396 I HA -0.271 3.900 4.170 0.002 0.000 0.245 396 I C 2.167 178.342 176.117 0.098 0.000 1.102 396 I CA 1.218 62.534 61.300 0.026 0.000 1.385 396 I CB -0.180 37.752 38.000 -0.113 0.000 1.064 396 I HN 0.016 nan 8.210 nan 0.000 0.414 397 K N 0.311 120.745 120.400 0.056 0.000 2.147 397 K HA -0.190 4.131 4.320 0.002 0.000 0.205 397 K C 2.251 178.899 176.600 0.080 0.000 1.049 397 K CA 0.974 57.297 56.287 0.061 0.000 0.936 397 K CB -0.194 32.325 32.500 0.032 0.000 0.722 397 K HN 0.260 nan 8.250 nan 0.000 0.446 398 R N 1.355 121.904 120.500 0.081 0.000 2.062 398 R HA -0.150 4.191 4.340 0.002 0.000 0.231 398 R C 1.309 177.671 176.300 0.102 0.000 1.136 398 R CA 1.931 58.082 56.100 0.084 0.000 0.948 398 R CB -0.085 30.264 30.300 0.080 0.000 0.845 398 R HN 0.120 nan 8.270 nan 0.000 0.430 399 D N 0.175 120.654 120.400 0.132 0.000 2.117 399 D HA -0.124 4.517 4.640 0.002 0.000 0.197 399 D C 1.996 178.369 176.300 0.122 0.000 0.987 399 D CA 1.058 55.136 54.000 0.130 0.000 0.829 399 D CB -0.206 40.718 40.800 0.207 0.000 0.961 399 D HN 0.109 nan 8.370 nan 0.000 0.460 400 V N 1.488 121.510 119.914 0.180 0.000 2.407 400 V HA -0.221 3.900 4.120 0.002 0.000 0.248 400 V C 2.524 178.778 176.094 0.267 0.000 1.055 400 V CA 1.688 64.144 62.300 0.261 0.000 1.049 400 V CB -0.681 31.288 31.823 0.245 0.000 0.662 400 V HN 0.180 nan 8.190 nan 0.000 0.455 401 A N -0.274 122.644 122.820 0.164 0.000 1.902 401 A HA -0.242 4.079 4.320 0.002 0.000 0.217 401 A C 2.037 179.697 177.584 0.127 0.000 1.181 401 A CA 1.943 54.064 52.037 0.141 0.000 0.623 401 A CB -0.585 18.473 19.000 0.097 0.000 0.818 401 A HN 0.536 nan 8.150 nan 0.000 0.443 402 D N 0.222 120.672 120.400 0.082 0.000 2.092 402 D HA -0.148 4.493 4.640 0.002 0.000 0.193 402 D C 2.031 178.312 176.300 -0.033 0.000 0.994 402 D CA 1.387 55.409 54.000 0.037 0.000 0.828 402 D CB -0.444 40.362 40.800 0.011 0.000 0.963 402 D HN 0.446 nan 8.370 nan 0.000 0.450 403 L N -0.452 120.698 121.223 -0.123 0.000 2.012 403 L HA -0.181 4.160 4.340 0.002 0.000 0.210 403 L C 2.303 178.952 176.870 -0.367 0.000 1.073 403 L CA 1.118 55.742 54.840 -0.361 0.000 0.748 403 L CB -0.416 41.326 42.059 -0.529 0.000 0.891 403 L HN -0.020 nan 8.230 nan 0.000 0.431 404 F N -2.181 117.749 119.950 -0.034 0.000 2.789 404 F HA 0.023 4.551 4.527 0.001 0.000 0.300 404 F C 2.116 177.886 175.800 -0.050 0.000 1.132 404 F CA 0.622 58.592 58.000 -0.050 0.000 1.404 404 F CB 0.419 39.364 39.000 -0.092 0.000 1.114 404 F HN -0.004 nan 8.300 nan 0.000 0.584 405 S N -1.252 114.544 115.700 0.159 0.000 3.798 405 S HA 0.102 4.573 4.470 0.002 0.000 0.227 405 S C 1.799 176.580 174.600 0.301 0.000 1.126 405 S CA -0.201 58.130 58.200 0.218 0.000 1.030 405 S CB -0.296 63.052 63.200 0.246 0.000 1.189 405 S HN 0.047 nan 8.310 nan 0.000 0.464 406 R N 1.700 122.343 120.500 0.238 0.000 2.083 406 R HA 0.009 4.350 4.340 0.002 0.000 0.237 406 R C 1.743 178.151 176.300 0.181 0.000 1.137 406 R CA 1.875 58.113 56.100 0.230 0.000 0.951 406 R CB -0.491 29.896 30.300 0.145 0.000 0.851 406 R HN 0.398 nan 8.270 nan 0.000 0.434 407 N N 0.506 119.270 118.700 0.107 0.000 2.137 407 N HA -0.202 4.539 4.740 0.002 0.000 0.190 407 N C 1.473 177.042 175.510 0.098 0.000 1.017 407 N CA 1.214 54.310 53.050 0.076 0.000 0.859 407 N CB -0.382 38.104 38.487 -0.001 0.000 1.002 407 N HN 0.131 nan 8.380 nan 0.000 0.428 408 F N 0.255 120.148 119.950 -0.095 0.000 2.031 408 F HA -0.123 4.406 4.527 0.004 0.000 0.295 408 F C 1.949 177.648 175.800 -0.168 0.000 1.133 408 F CA 1.379 59.246 58.000 -0.222 0.000 1.188 408 F CB -0.860 37.845 39.000 -0.492 0.000 0.974 408 F HN 0.020 nan 8.300 nan 0.000 0.473 409 W N 0.728 121.964 121.300 -0.107 0.000 2.342 409 W HA -0.170 4.490 4.660 0.000 0.000 0.297 409 W C 2.812 179.231 176.519 -0.166 0.000 1.213 409 W CA 1.518 58.731 57.345 -0.220 0.000 1.251 409 W CB -0.567 28.870 29.460 -0.038 0.000 1.136 409 W HN -0.012 nan 8.180 nan 0.000 0.526 410 R N -0.250 120.331 120.500 0.135 0.000 2.073 410 R HA -0.208 4.133 4.340 0.002 0.000 0.234 410 R C 2.176 178.506 176.300 0.050 0.000 1.134 410 R CA 1.850 58.008 56.100 0.096 0.000 0.952 410 R CB -0.876 29.494 30.300 0.115 0.000 0.850 410 R HN 0.179 nan 8.270 nan 0.000 0.433 411 F N 1.094 120.968 119.950 -0.126 0.000 2.113 411 F HA -0.169 4.360 4.527 0.003 0.000 0.297 411 F C 2.046 177.729 175.800 -0.196 0.000 1.103 411 F CA 1.678 59.593 58.000 -0.141 0.000 1.248 411 F CB -0.264 38.652 39.000 -0.139 0.000 0.999 411 F HN -0.042 nan 8.300 nan 0.000 0.475 412 V N -1.033 118.708 119.914 -0.288 0.000 3.078 412 V HA 0.199 4.320 4.120 0.002 0.000 0.265 412 V C 1.351 177.327 176.094 -0.197 0.000 1.122 412 V CA 0.351 62.456 62.300 -0.324 0.000 1.141 412 V CB -1.837 29.685 31.823 -0.502 0.000 0.735 412 V HN 0.629 nan 8.190 nan 0.000 0.498 413 G N 0.000 108.717 108.800 -0.139 0.000 5.446 413 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 413 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 413 G CA 0.000 45.058 45.100 -0.070 0.000 0.502 413 G HN 0.000 nan 8.290 nan 0.000 0.925