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 2q7n_1_A DATA FIRST_RESID 7 DATA SEQUENCE DLKcTTNNMR VWDcTWPAPL GVSPGTVKDI cIKDRFHScH PLETTNVKIP DATA SEQUENCE ALSPGDHEVT INYLNGFQSK FTLNEKDVSL IPETPEILDL SADFFTSSLL DATA SEQUENCE LKWNDRGSAL PHPSNATWEI KVLQNPRTEP VALVLLNTML SGKDTVQHWN DATA SEQUENCE WTSDLPLQcA THSVSIRWHI DSPHFSGYKE WSDWSPLKNI SWIRNTETNV DATA SEQUENCE FPQDKVVLAG SNMTIcCMSP TKVLSGQIGN TLRPLIHLYG QTVAIHILNI DATA SEQUENCE PVSENSGTNI IFITDDDVYG TVVFAGYPPD VPQKLScETH DLKEIIcSWN DATA SEQUENCE PGRITGLVGP RNTEYTLFES ISGKSAVFHR IEGLTNETYR LGVQMHPGQE DATA SEQUENCE IHNFTLTGRN PLGQAQSAVV INVTERVAPH DPTSLKVKDI NSTVVTFSWY DATA SEQUENCE LPGNFTKINL LcQIEICKAN SKKEVRNATI RGAEDSTYHV AVDKLNPYTA DATA SEQUENCE YTFRVRcSSK TFWKWSRWSD EKRHLTTEAT 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.500 176.300 0.333 0.000 2.045 7 D CA 0.000 54.135 54.000 0.226 0.000 0.868 7 D CB 0.000 40.920 40.800 0.201 0.000 0.688 8 L N 1.390 122.743 121.223 0.217 0.000 2.502 8 L HA 0.459 4.798 4.340 -0.000 0.000 0.249 8 L C -0.176 176.715 176.870 0.034 0.000 1.446 8 L CA -0.383 54.523 54.840 0.111 0.000 0.887 8 L CB 0.562 42.631 42.059 0.017 0.000 1.126 8 L HN -0.030 nan 8.230 nan 0.000 0.509 9 K N 1.420 121.839 120.400 0.032 0.000 2.416 9 K HA 0.375 4.695 4.320 -0.000 0.000 0.283 9 K C -0.351 176.228 176.600 -0.036 0.000 1.037 9 K CA -0.069 56.215 56.287 -0.005 0.000 0.995 9 K CB -0.093 32.419 32.500 0.020 0.000 0.938 9 K HN 0.580 nan 8.250 nan 0.000 0.475 10 c N 1.533 120.085 118.600 -0.079 0.000 2.407 10 c HA 0.941 5.511 4.570 -0.000 0.000 0.366 10 c C 0.694 174.765 174.090 -0.032 0.000 1.213 10 c CA 0.136 56.411 56.329 -0.090 0.000 2.011 10 c CB 1.774 44.139 42.510 -0.242 0.000 2.306 10 c HN 1.056 nan 8.230 nan 0.000 0.527 11 T N -1.087 113.484 114.554 0.027 0.000 2.843 11 T HA 0.845 5.195 4.350 -0.000 0.000 0.302 11 T C -1.090 173.702 174.700 0.154 0.000 1.232 11 T CA -0.508 61.638 62.100 0.077 0.000 1.009 11 T CB 1.656 70.556 68.868 0.053 0.000 1.254 11 T HN 0.844 nan 8.240 nan 0.000 0.504 12 T N -0.708 113.927 114.554 0.135 0.000 3.041 12 T HA 0.446 4.796 4.350 -0.000 0.000 0.321 12 T C 0.562 175.274 174.700 0.022 0.000 1.184 12 T CA -0.781 61.388 62.100 0.114 0.000 1.050 12 T CB 1.584 70.541 68.868 0.148 0.000 1.159 12 T HN 0.782 nan 8.240 nan 0.000 0.469 13 N N 2.357 121.057 118.700 -0.000 0.000 2.197 13 N HA -0.014 4.726 4.740 -0.000 0.000 0.184 13 N C 0.455 175.916 175.510 -0.081 0.000 1.030 13 N CA 0.628 53.664 53.050 -0.024 0.000 0.851 13 N CB -0.248 38.241 38.487 0.004 0.000 1.003 13 N HN 0.718 nan 8.380 nan 0.000 0.430 14 N N -0.634 118.012 118.700 -0.089 0.000 2.563 14 N HA 0.227 4.966 4.740 -0.000 0.000 0.288 14 N C -0.288 175.101 175.510 -0.201 0.000 1.246 14 N CA -0.710 52.249 53.050 -0.151 0.000 0.946 14 N CB 0.532 38.958 38.487 -0.103 0.000 1.213 14 N HN 0.092 nan 8.380 nan 0.000 0.578 15 M N -0.195 119.241 119.600 -0.273 0.000 2.631 15 M HA 0.247 4.727 4.480 -0.000 0.000 0.241 15 M C 0.846 177.037 176.300 -0.182 0.000 1.255 15 M CA 0.126 55.221 55.300 -0.340 0.000 0.983 15 M CB -0.039 32.235 32.600 -0.543 0.000 1.580 15 M HN 0.468 nan 8.290 nan 0.000 0.464 16 R N -0.675 119.728 120.500 -0.162 0.000 2.167 16 R HA 0.243 4.582 4.340 -0.000 0.000 0.201 16 R C 0.049 176.213 176.300 -0.227 0.000 1.024 16 R CA 0.487 56.489 56.100 -0.165 0.000 1.053 16 R CB 0.965 31.197 30.300 -0.115 0.000 0.987 16 R HN 0.095 nan 8.270 nan 0.000 0.493 17 V N 1.228 121.040 119.914 -0.170 0.000 2.531 17 V HA 0.256 4.375 4.120 -0.000 0.000 0.301 17 V C -1.072 175.018 176.094 -0.008 0.000 1.034 17 V CA -0.883 61.334 62.300 -0.139 0.000 0.865 17 V CB 2.075 33.860 31.823 -0.062 0.000 0.995 17 V HN 0.180 nan 8.190 nan 0.000 0.424 18 W N 2.309 123.612 121.300 0.005 0.000 2.316 18 W HA 0.396 5.056 4.660 -0.000 0.000 0.311 18 W C 0.194 176.705 176.519 -0.013 0.000 1.217 18 W CA -0.735 56.616 57.345 0.010 0.000 1.199 18 W CB 0.802 30.274 29.460 0.021 0.000 1.202 18 W HN 0.484 nan 8.180 nan 0.000 0.528 19 D N 2.874 123.399 120.400 0.208 0.000 2.477 19 D HA 0.245 4.885 4.640 -0.000 0.000 0.239 19 D C -1.064 175.266 176.300 0.050 0.000 1.102 19 D CA -0.046 54.007 54.000 0.089 0.000 0.901 19 D CB 0.264 41.094 40.800 0.051 0.000 1.026 19 D HN 0.063 nan 8.370 nan 0.000 0.515 20 c N 2.074 120.700 118.600 0.043 0.000 2.329 20 c HA 0.644 5.214 4.570 -0.000 0.000 0.329 20 c C 0.558 174.600 174.090 -0.080 0.000 1.275 20 c CA -0.630 55.706 56.329 0.012 0.000 1.726 20 c CB 1.156 43.706 42.510 0.066 0.000 2.291 20 c HN 0.504 nan 8.230 nan 0.000 0.514 21 T N 3.067 117.545 114.554 -0.126 0.000 2.841 21 T HA 0.727 5.077 4.350 -0.000 0.000 0.283 21 T C -1.244 173.355 174.700 -0.168 0.000 1.000 21 T CA -0.302 61.611 62.100 -0.312 0.000 0.977 21 T CB 0.557 69.265 68.868 -0.267 0.000 0.979 21 T HN 0.774 nan 8.240 nan 0.000 0.446 22 W N 4.053 125.273 121.300 -0.134 0.000 2.761 22 W HA 0.780 5.440 4.660 -0.000 0.000 0.340 22 W C -3.047 173.445 176.519 -0.045 0.000 1.072 22 W CA -2.776 54.470 57.345 -0.165 0.000 1.215 22 W CB -0.631 28.564 29.460 -0.441 0.000 1.420 22 W HN 0.430 nan 8.180 nan 0.000 0.519 23 P HA 0.329 nan 4.420 nan 0.000 0.275 23 P C -0.228 177.314 177.300 0.404 0.000 1.228 23 P CA -0.178 63.050 63.100 0.212 0.000 0.786 23 P CB 0.787 32.587 31.700 0.167 0.000 0.927 24 A N 3.903 126.898 122.820 0.292 0.000 2.445 24 A HA 0.383 4.703 4.320 -0.000 0.000 0.242 24 A C -1.923 175.779 177.584 0.196 0.000 1.075 24 A CA -0.877 51.339 52.037 0.298 0.000 0.777 24 A CB -1.308 17.775 19.000 0.138 0.000 1.013 24 A HN 0.425 nan 8.150 nan 0.000 0.493 25 P HA 0.417 nan 4.420 nan 0.000 0.274 25 P C 0.345 177.597 177.300 -0.079 0.000 1.291 25 P CA -0.007 63.132 63.100 0.064 0.000 0.815 25 P CB 0.043 31.812 31.700 0.114 0.000 0.897 26 L N 1.979 123.176 121.223 -0.042 0.000 2.498 26 L HA 0.445 4.785 4.340 -0.000 0.000 0.293 26 L C 1.203 177.999 176.870 -0.124 0.000 1.271 26 L CA 0.325 55.126 54.840 -0.065 0.000 0.831 26 L CB -1.480 40.558 42.059 -0.034 0.000 1.091 26 L HN 0.842 nan 8.230 nan 0.000 0.535 27 G N 0.920 109.656 108.800 -0.106 0.000 3.081 27 G HA2 0.261 4.220 3.960 -0.000 0.000 0.603 27 G HA3 0.261 4.220 3.960 -0.000 0.000 0.603 27 G C -0.041 174.783 174.900 -0.126 0.000 1.106 27 G CA -0.222 44.803 45.100 -0.125 0.000 1.001 27 G HN 2.696 nan 8.290 nan 0.000 0.445 28 V N -0.189 119.673 119.914 -0.086 0.000 3.975 28 V HA 0.182 4.302 4.120 -0.000 0.000 0.209 28 V C 0.902 176.944 176.094 -0.087 0.000 0.934 28 V CA 1.059 63.317 62.300 -0.070 0.000 0.996 28 V CB -1.623 30.174 31.823 -0.043 0.000 0.687 28 V HN 1.896 nan 8.190 nan 0.000 0.470 29 S N 3.649 119.271 115.700 -0.130 0.000 2.601 29 S HA 0.708 5.178 4.470 -0.000 0.000 0.312 29 S C -1.503 173.020 174.600 -0.129 0.000 1.107 29 S CA -0.649 57.445 58.200 -0.178 0.000 1.129 29 S CB 1.803 64.785 63.200 -0.363 0.000 0.982 29 S HN 0.631 nan 8.310 nan 0.000 0.469 30 P HA 0.374 nan 4.420 nan 0.000 0.187 30 P C 0.613 177.960 177.300 0.078 0.000 1.106 30 P CA 0.312 63.421 63.100 0.014 0.000 0.793 30 P CB -0.078 31.629 31.700 0.011 0.000 0.787 31 G N 0.083 108.931 108.800 0.079 0.000 4.464 31 G HA2 0.392 4.352 3.960 -0.000 0.000 0.297 31 G HA3 0.392 4.352 3.960 -0.000 0.000 0.297 31 G C -0.169 174.805 174.900 0.122 0.000 1.342 31 G CA -0.043 45.120 45.100 0.105 0.000 1.335 31 G HN 0.446 nan 8.290 nan 0.000 0.609 32 T N -1.821 112.841 114.554 0.180 0.000 3.532 32 T HA 0.452 4.802 4.350 -0.000 0.000 0.241 32 T C -0.314 174.575 174.700 0.315 0.000 1.238 32 T CA -0.512 61.702 62.100 0.189 0.000 1.405 32 T CB 0.482 69.437 68.868 0.144 0.000 0.971 32 T HN 0.118 nan 8.240 nan 0.000 0.640 33 V N 0.015 120.087 119.914 0.263 0.000 2.384 33 V HA 0.870 4.990 4.120 -0.000 0.000 0.287 33 V C 0.911 177.064 176.094 0.097 0.000 1.020 33 V CA -0.611 61.821 62.300 0.219 0.000 0.850 33 V CB 0.425 32.390 31.823 0.235 0.000 0.987 33 V HN 0.646 nan 8.190 nan 0.000 0.436 34 K N 3.050 123.468 120.400 0.030 0.000 2.253 34 K HA 0.290 4.610 4.320 -0.000 0.000 0.225 34 K C 0.365 176.961 176.600 -0.006 0.000 1.037 34 K CA 0.848 57.146 56.287 0.018 0.000 0.928 34 K CB -0.338 32.172 32.500 0.018 0.000 1.057 34 K HN 0.756 nan 8.250 nan 0.000 0.462 35 D N -0.908 119.462 120.400 -0.049 0.000 2.268 35 D HA 0.520 5.160 4.640 -0.000 0.000 0.249 35 D C -1.026 175.224 176.300 -0.084 0.000 1.008 35 D CA -0.448 53.520 54.000 -0.053 0.000 0.939 35 D CB 1.749 42.508 40.800 -0.068 0.000 1.170 35 D HN 0.325 nan 8.370 nan 0.000 0.468 36 I N 0.522 121.068 120.570 -0.041 0.000 2.468 36 I HA 0.316 4.486 4.170 -0.000 0.000 0.285 36 I C -1.574 174.508 176.117 -0.058 0.000 1.039 36 I CA -0.261 60.990 61.300 -0.082 0.000 1.074 36 I CB 0.725 38.718 38.000 -0.013 0.000 1.228 36 I HN 0.360 nan 8.210 nan 0.000 0.436 37 c N 7.490 126.026 118.600 -0.106 0.000 2.456 37 c HA 0.789 5.359 4.570 -0.000 0.000 0.325 37 c C -0.162 173.866 174.090 -0.103 0.000 1.217 37 c CA -0.761 55.487 56.329 -0.136 0.000 1.687 37 c CB 0.805 43.208 42.510 -0.179 0.000 2.270 37 c HN 0.714 nan 8.230 nan 0.000 0.499 38 I N 0.038 120.528 120.570 -0.134 0.000 2.647 38 I HA 0.697 4.867 4.170 -0.000 0.000 0.295 38 I C -0.856 175.209 176.117 -0.088 0.000 1.078 38 I CA -0.752 60.506 61.300 -0.071 0.000 1.048 38 I CB 1.694 39.664 38.000 -0.051 0.000 1.239 38 I HN 0.360 nan 8.210 nan 0.000 0.421 39 K N 3.092 123.496 120.400 0.007 0.000 2.464 39 K HA 0.598 4.918 4.320 -0.000 0.000 0.252 39 K C -1.795 174.796 176.600 -0.015 0.000 1.000 39 K CA -0.013 56.310 56.287 0.060 0.000 0.951 39 K CB 0.729 33.313 32.500 0.139 0.000 1.183 39 K HN 0.810 nan 8.250 nan 0.000 0.445 40 D N 2.745 123.119 120.400 -0.042 0.000 2.530 40 D HA 0.291 4.931 4.640 -0.000 0.000 0.193 40 D C -0.259 176.065 176.300 0.040 0.000 1.243 40 D CA -0.236 53.718 54.000 -0.077 0.000 0.803 40 D CB 0.444 41.070 40.800 -0.290 0.000 1.955 40 D HN 0.555 nan 8.370 nan 0.000 0.529 41 R N 0.871 121.432 120.500 0.102 0.000 1.242 41 R HA -0.245 4.095 4.340 -0.000 0.000 0.031 41 R C 0.194 176.696 176.300 0.336 0.000 0.958 41 R CA 2.282 58.507 56.100 0.208 0.000 1.982 41 R CB -2.036 28.431 30.300 0.278 0.000 0.179 41 R HN 0.549 nan 8.270 nan 0.000 0.729 42 F N -2.347 117.607 119.950 0.007 0.000 2.824 42 F HA 0.636 5.163 4.527 -0.000 0.000 0.330 42 F C 0.135 175.981 175.800 0.077 0.000 1.175 42 F CA -1.372 56.648 58.000 0.034 0.000 0.974 42 F CB 0.923 39.935 39.000 0.019 0.000 1.430 42 F HN -0.055 nan 8.300 nan 0.000 0.507 43 H N 1.448 120.493 119.070 -0.043 0.000 3.014 43 H HA 0.389 4.945 4.556 -0.000 0.000 0.266 43 H C -0.889 174.222 175.328 -0.362 0.000 1.455 43 H CA -0.681 55.266 56.048 -0.167 0.000 1.402 43 H CB -0.067 29.657 29.762 -0.063 0.000 1.626 43 H HN 0.660 nan 8.280 nan 0.000 0.520 44 S N 2.834 118.084 115.700 -0.751 0.000 2.508 44 S HA 0.507 4.977 4.470 -0.000 0.000 0.284 44 S C -0.452 173.850 174.600 -0.496 0.000 1.192 44 S CA -0.868 56.877 58.200 -0.758 0.000 1.070 44 S CB 1.107 63.750 63.200 -0.930 0.000 1.004 44 S HN 0.531 nan 8.310 nan 0.000 0.493 45 c N 2.831 121.181 118.600 -0.417 0.000 2.381 45 c HA 0.529 5.099 4.570 -0.000 0.000 0.328 45 c C -0.472 173.467 174.090 -0.252 0.000 1.190 45 c CA -0.647 55.524 56.329 -0.264 0.000 1.369 45 c CB -0.279 42.083 42.510 -0.248 0.000 2.029 45 c HN 0.984 nan 8.230 nan 0.000 0.448 46 H N 2.314 121.315 119.070 -0.116 0.000 2.479 46 H HA 0.519 5.075 4.556 -0.000 0.000 0.335 46 H C -2.327 172.982 175.328 -0.033 0.000 1.142 46 H CA -1.233 54.779 56.048 -0.060 0.000 1.234 46 H CB 0.821 30.561 29.762 -0.035 0.000 1.503 46 H HN 0.383 nan 8.280 nan 0.000 0.510 47 P HA 0.248 nan 4.420 nan 0.000 0.276 47 P C -0.824 176.525 177.300 0.083 0.000 1.252 47 P CA -0.431 62.704 63.100 0.058 0.000 0.802 47 P CB 0.973 32.694 31.700 0.035 0.000 1.035 48 L N -0.735 120.530 121.223 0.069 0.000 2.434 48 L HA 0.616 4.956 4.340 -0.000 0.000 0.260 48 L C 1.218 178.124 176.870 0.060 0.000 0.983 48 L CA -0.575 54.313 54.840 0.079 0.000 0.820 48 L CB 1.840 43.971 42.059 0.121 0.000 1.361 48 L HN 0.340 nan 8.230 nan 0.000 0.410 49 E N 0.483 120.709 120.200 0.043 0.000 2.332 49 E HA 0.302 4.652 4.350 -0.000 0.000 0.202 49 E C 0.617 177.237 176.600 0.033 0.000 0.877 49 E CA 1.131 57.551 56.400 0.033 0.000 0.979 49 E CB 0.801 30.511 29.700 0.016 0.000 0.969 49 E HN 0.775 nan 8.360 nan 0.000 0.495 50 T N -4.179 110.380 114.554 0.008 0.000 2.647 50 T HA 0.320 4.670 4.350 -0.000 0.000 0.295 50 T C 1.250 175.900 174.700 -0.085 0.000 1.126 50 T CA 0.543 62.641 62.100 -0.004 0.000 1.040 50 T CB 0.653 69.496 68.868 -0.042 0.000 1.472 50 T HN 0.313 nan 8.240 nan 0.000 0.500 51 T N -0.765 113.685 114.554 -0.172 0.000 3.118 51 T HA 0.023 4.373 4.350 -0.000 0.000 0.269 51 T C 0.445 174.273 174.700 -1.453 0.000 1.166 51 T CA 0.907 62.678 62.100 -0.548 0.000 1.073 51 T CB -1.540 67.048 68.868 -0.467 0.000 0.884 51 T HN 0.948 nan 8.240 nan 0.000 0.550 52 N N -1.022 117.188 118.700 -0.818 0.000 2.262 52 N HA 0.647 5.387 4.740 -0.000 0.000 0.295 52 N C -1.643 173.662 175.510 -0.341 0.000 1.161 52 N CA -1.103 51.508 53.050 -0.731 0.000 0.767 52 N CB 2.536 40.764 38.487 -0.433 0.000 1.499 52 N HN 0.047 nan 8.380 nan 0.000 0.476 53 V N -0.362 119.438 119.914 -0.190 0.000 3.204 53 V HA 0.458 4.578 4.120 -0.000 0.000 0.298 53 V C -1.600 174.487 176.094 -0.011 0.000 1.328 53 V CA -0.968 61.306 62.300 -0.044 0.000 1.035 53 V CB 2.349 34.200 31.823 0.048 0.000 1.095 53 V HN 0.762 nan 8.190 nan 0.000 0.442 54 K N 5.429 125.820 120.400 -0.014 0.000 2.292 54 K HA 0.591 4.911 4.320 -0.000 0.000 0.270 54 K C -0.773 175.784 176.600 -0.072 0.000 1.062 54 K CA -0.194 56.087 56.287 -0.011 0.000 0.916 54 K CB 0.888 33.387 32.500 -0.001 0.000 1.166 54 K HN 0.607 nan 8.250 nan 0.000 0.458 55 I N 0.286 120.819 120.570 -0.061 0.000 2.693 55 I HA 0.505 4.675 4.170 -0.000 0.000 0.303 55 I C -2.455 173.589 176.117 -0.122 0.000 1.025 55 I CA -3.199 58.003 61.300 -0.163 0.000 1.086 55 I CB 1.620 39.567 38.000 -0.087 0.000 1.268 55 I HN 0.291 nan 8.210 nan 0.000 0.440 56 P HA 0.150 nan 4.420 nan 0.000 0.276 56 P C -0.252 176.775 177.300 -0.455 0.000 1.235 56 P CA -0.060 62.910 63.100 -0.217 0.000 0.772 56 P CB 0.992 32.630 31.700 -0.102 0.000 0.871 57 A N 4.467 126.835 122.820 -0.754 0.000 2.565 57 A HA 0.208 4.528 4.320 -0.000 0.000 0.237 57 A C 0.423 177.502 177.584 -0.841 0.000 1.053 57 A CA 0.289 51.435 52.037 -1.485 0.000 0.755 57 A CB -0.611 17.736 19.000 -1.089 0.000 0.980 57 A HN 0.547 nan 8.150 nan 0.000 0.506 58 L N 1.231 121.949 121.223 -0.841 0.000 2.585 58 L HA 0.446 4.786 4.340 -0.000 0.000 0.260 58 L C 0.777 177.683 176.870 0.061 0.000 1.085 58 L CA -0.732 54.001 54.840 -0.179 0.000 0.913 58 L CB 0.759 42.802 42.059 -0.027 0.000 1.638 58 L HN 0.586 nan 8.230 nan 0.000 0.531 59 S N 0.400 116.173 115.700 0.120 0.000 2.489 59 S HA 0.287 4.757 4.470 -0.000 0.000 0.277 59 S C -2.373 172.446 174.600 0.364 0.000 1.230 59 S CA -0.962 57.358 58.200 0.201 0.000 1.053 59 S CB 0.753 64.036 63.200 0.138 0.000 0.955 59 S HN 0.232 nan 8.310 nan 0.000 0.488 60 P HA 0.261 nan 4.420 nan 0.000 0.261 60 P C 0.477 177.817 177.300 0.068 0.000 1.173 60 P CA 0.971 64.147 63.100 0.127 0.000 0.760 60 P CB 0.047 31.783 31.700 0.059 0.000 0.783 61 G N 2.250 111.012 108.800 -0.063 0.000 2.334 61 G HA2 0.033 3.993 3.960 -0.000 0.000 0.315 61 G HA3 0.033 3.993 3.960 -0.000 0.000 0.315 61 G C -1.825 172.796 174.900 -0.466 0.000 1.284 61 G CA -0.856 44.137 45.100 -0.179 0.000 0.985 61 G HN 0.364 nan 8.290 nan 0.000 0.504 62 D N 0.749 120.902 120.400 -0.412 0.000 2.210 62 D HA 0.680 5.320 4.640 -0.000 0.000 0.249 62 D C -0.103 175.870 176.300 -0.545 0.000 1.062 62 D CA 0.166 53.911 54.000 -0.426 0.000 0.891 62 D CB 0.674 41.363 40.800 -0.184 0.000 1.186 62 D HN 0.413 nan 8.370 nan 0.000 0.432 63 H N 0.365 119.448 119.070 0.021 0.000 2.851 63 H HA 0.282 4.838 4.556 -0.000 0.000 0.372 63 H C -0.662 174.682 175.328 0.026 0.000 1.158 63 H CA -0.705 55.364 56.048 0.036 0.000 1.159 63 H CB 1.254 31.056 29.762 0.067 0.000 1.757 63 H HN 0.251 nan 8.280 nan 0.000 0.546 64 E N 1.691 121.982 120.200 0.152 0.000 2.159 64 E HA 0.220 4.570 4.350 -0.000 0.000 0.272 64 E C -0.840 175.809 176.600 0.082 0.000 1.138 64 E CA -0.166 56.285 56.400 0.085 0.000 0.915 64 E CB 0.202 29.937 29.700 0.059 0.000 1.028 64 E HN 0.266 nan 8.360 nan 0.000 0.423 65 V N 5.439 125.396 119.914 0.072 0.000 2.294 65 V HA 0.247 4.366 4.120 -0.000 0.000 0.272 65 V C 0.255 176.341 176.094 -0.012 0.000 1.027 65 V CA -0.600 61.715 62.300 0.025 0.000 0.823 65 V CB 0.964 32.798 31.823 0.020 0.000 1.030 65 V HN 0.780 nan 8.190 nan 0.000 0.457 66 T N 3.716 118.235 114.554 -0.059 0.000 2.875 66 T HA 0.804 5.153 4.350 -0.000 0.000 0.284 66 T C -0.573 173.991 174.700 -0.226 0.000 0.995 66 T CA -0.519 61.518 62.100 -0.105 0.000 1.060 66 T CB 1.281 70.101 68.868 -0.080 0.000 0.967 66 T HN 0.343 nan 8.240 nan 0.000 0.476 67 I N 2.467 122.839 120.570 -0.329 0.000 2.436 67 I HA 0.429 4.599 4.170 -0.000 0.000 0.289 67 I C -0.403 175.433 176.117 -0.468 0.000 1.010 67 I CA -1.080 59.919 61.300 -0.502 0.000 1.098 67 I CB 1.733 39.199 38.000 -0.889 0.000 1.266 67 I HN 0.517 nan 8.210 nan 0.000 0.434 68 N N 4.443 122.910 118.700 -0.389 0.000 2.430 68 N HA 0.506 5.246 4.740 -0.000 0.000 0.292 68 N C -1.357 173.925 175.510 -0.380 0.000 1.051 68 N CA -0.332 52.542 53.050 -0.292 0.000 0.917 68 N CB 0.977 39.385 38.487 -0.132 0.000 1.164 68 N HN 0.365 nan 8.380 nan 0.000 0.484 69 Y N 0.698 121.034 120.300 0.060 0.000 2.487 69 Y HA 0.291 4.841 4.550 -0.000 0.000 0.337 69 Y C 1.148 177.095 175.900 0.078 0.000 1.076 69 Y CA -0.959 57.199 58.100 0.096 0.000 1.115 69 Y CB 1.195 39.744 38.460 0.148 0.000 1.235 69 Y HN 0.358 nan 8.280 nan 0.000 0.468 70 L N 1.860 123.231 121.223 0.247 0.000 1.933 70 L HA -0.287 4.053 4.340 -0.000 0.000 0.220 70 L C 1.864 178.810 176.870 0.127 0.000 1.078 70 L CA 1.966 56.893 54.840 0.146 0.000 0.773 70 L CB -0.682 41.452 42.059 0.124 0.000 0.890 70 L HN 0.885 nan 8.230 nan 0.000 0.434 71 N N -0.576 118.202 118.700 0.130 0.000 2.008 71 N HA -0.137 4.603 4.740 -0.000 0.000 0.182 71 N C 1.494 177.075 175.510 0.119 0.000 1.111 71 N CA 1.654 54.767 53.050 0.105 0.000 0.923 71 N CB -1.383 37.158 38.487 0.090 0.000 1.032 71 N HN 0.389 nan 8.380 nan 0.000 0.435 72 G N 0.290 109.178 108.800 0.147 0.000 2.655 72 G HA2 0.058 4.018 3.960 -0.000 0.000 0.217 72 G HA3 0.058 4.018 3.960 -0.000 0.000 0.217 72 G C 0.624 175.662 174.900 0.231 0.000 1.279 72 G CA -0.106 45.095 45.100 0.169 0.000 0.870 72 G HN 0.277 nan 8.290 nan 0.000 0.560 73 F N 0.804 120.822 119.950 0.115 0.000 2.460 73 F HA 0.365 4.892 4.527 -0.000 0.000 0.292 73 F C 0.623 176.563 175.800 0.233 0.000 1.280 73 F CA 0.614 58.708 58.000 0.155 0.000 1.306 73 F CB 0.401 39.477 39.000 0.126 0.000 1.316 73 F HN 0.325 nan 8.300 nan 0.000 0.523 74 Q N 1.218 120.965 119.800 -0.087 0.000 2.913 74 Q HA 0.143 4.483 4.340 -0.000 0.000 0.213 74 Q C -1.976 173.851 176.000 -0.289 0.000 0.981 74 Q CA -0.375 55.318 55.803 -0.184 0.000 1.133 74 Q CB 1.076 29.658 28.738 -0.261 0.000 1.839 74 Q HN 0.607 nan 8.270 nan 0.000 0.540 75 S N 2.311 117.992 115.700 -0.032 0.000 2.475 75 S HA 0.604 5.074 4.470 -0.000 0.000 0.298 75 S C -1.210 173.423 174.600 0.055 0.000 1.119 75 S CA -0.513 57.755 58.200 0.113 0.000 1.085 75 S CB 0.830 64.262 63.200 0.387 0.000 1.028 75 S HN 0.410 nan 8.310 nan 0.000 0.489 76 K N 3.020 123.401 120.400 -0.033 0.000 2.389 76 K HA 0.421 4.741 4.320 -0.000 0.000 0.261 76 K C -1.517 174.978 176.600 -0.174 0.000 1.014 76 K CA 0.013 56.253 56.287 -0.077 0.000 0.920 76 K CB 0.775 33.203 32.500 -0.119 0.000 1.149 76 K HN 0.379 nan 8.250 nan 0.000 0.444 77 F N 1.404 121.291 119.950 -0.104 0.000 2.460 77 F HA 0.206 4.733 4.527 -0.000 0.000 0.341 77 F C 0.243 176.005 175.800 -0.064 0.000 1.130 77 F CA -0.827 57.121 58.000 -0.086 0.000 0.962 77 F CB 1.828 40.755 39.000 -0.122 0.000 1.171 77 F HN 0.309 nan 8.300 nan 0.000 0.436 78 T N 4.298 118.884 114.554 0.054 0.000 2.727 78 T HA 0.485 4.835 4.350 -0.000 0.000 0.295 78 T C -0.422 174.299 174.700 0.035 0.000 0.915 78 T CA -0.408 61.703 62.100 0.018 0.000 1.066 78 T CB 0.634 69.479 68.868 -0.039 0.000 0.891 78 T HN 0.547 nan 8.240 nan 0.000 0.516 79 L N 3.095 124.321 121.223 0.006 0.000 2.354 79 L HA 0.701 5.041 4.340 -0.000 0.000 0.264 79 L C -0.634 176.149 176.870 -0.145 0.000 1.008 79 L CA -0.785 54.020 54.840 -0.059 0.000 0.819 79 L CB 2.132 44.169 42.059 -0.038 0.000 1.339 79 L HN 0.640 nan 8.230 nan 0.000 0.420 80 N N 0.885 119.439 118.700 -0.242 0.000 3.439 80 N HA 0.204 4.944 4.740 -0.000 0.000 0.343 80 N C -0.275 175.017 175.510 -0.362 0.000 1.597 80 N CA -0.314 52.577 53.050 -0.265 0.000 0.733 80 N CB 1.944 40.295 38.487 -0.226 0.000 1.973 80 N HN 0.851 nan 8.380 nan 0.000 0.646 81 E N 0.074 120.126 120.200 -0.246 0.000 2.276 81 E HA 0.119 4.469 4.350 -0.000 0.000 0.193 81 E C 0.437 176.794 176.600 -0.406 0.000 0.983 81 E CA 0.447 56.693 56.400 -0.257 0.000 0.861 81 E CB 0.326 29.960 29.700 -0.111 0.000 0.817 81 E HN 0.293 nan 8.360 nan 0.000 0.485 82 K N 0.820 121.007 120.400 -0.355 0.000 2.551 82 K HA 0.001 4.321 4.320 -0.000 0.000 0.204 82 K C -0.201 176.125 176.600 -0.456 0.000 1.033 82 K CA 0.151 56.203 56.287 -0.392 0.000 1.187 82 K CB 0.388 32.727 32.500 -0.268 0.000 0.900 82 K HN 0.092 nan 8.250 nan 0.000 0.499 83 D N -0.352 119.783 120.400 -0.442 0.000 2.422 83 D HA -0.007 4.633 4.640 -0.000 0.000 0.218 83 D C 0.282 176.321 176.300 -0.436 0.000 1.047 83 D CA 0.234 53.996 54.000 -0.396 0.000 0.885 83 D CB 0.569 41.203 40.800 -0.276 0.000 1.035 83 D HN -0.154 nan 8.370 nan 0.000 0.502 84 V N 1.398 121.037 119.914 -0.458 0.000 2.614 84 V HA 0.267 4.387 4.120 -0.000 0.000 0.291 84 V C 0.550 176.535 176.094 -0.181 0.000 1.049 84 V CA -0.121 61.987 62.300 -0.321 0.000 1.038 84 V CB 1.442 33.035 31.823 -0.383 0.000 0.980 84 V HN -0.036 nan 8.190 nan 0.000 0.481 85 S N 4.081 119.773 115.700 -0.013 0.000 2.578 85 S HA 0.674 5.144 4.470 -0.000 0.000 0.301 85 S C -0.557 174.144 174.600 0.169 0.000 1.091 85 S CA -0.538 57.732 58.200 0.118 0.000 1.032 85 S CB 1.719 65.025 63.200 0.177 0.000 1.064 85 S HN 0.615 nan 8.310 nan 0.000 0.508 86 L N 3.705 125.029 121.223 0.168 0.000 2.371 86 L HA 0.546 4.886 4.340 -0.000 0.000 0.262 86 L C -0.808 176.060 176.870 -0.004 0.000 1.054 86 L CA -0.441 54.426 54.840 0.045 0.000 0.924 86 L CB -0.143 41.876 42.059 -0.066 0.000 1.295 86 L HN 0.662 nan 8.230 nan 0.000 0.441 87 I N 3.104 123.679 120.570 0.010 0.000 2.282 87 I HA 0.543 4.713 4.170 -0.000 0.000 0.290 87 I C -2.313 173.792 176.117 -0.020 0.000 1.090 87 I CA -1.990 59.316 61.300 0.009 0.000 1.231 87 I CB 0.221 38.246 38.000 0.040 0.000 1.434 87 I HN 0.354 nan 8.210 nan 0.000 0.487 88 P HA 0.043 nan 4.420 nan 0.000 0.268 88 P C -0.532 176.822 177.300 0.090 0.000 1.208 88 P CA -0.003 63.058 63.100 -0.065 0.000 0.777 88 P CB 0.491 32.019 31.700 -0.287 0.000 0.875 89 E N -0.158 120.127 120.200 0.143 0.000 2.436 89 E HA 0.086 4.436 4.350 -0.000 0.000 0.262 89 E C -0.215 176.485 176.600 0.166 0.000 1.063 89 E CA -0.001 56.481 56.400 0.137 0.000 0.944 89 E CB -0.529 29.244 29.700 0.122 0.000 0.950 89 E HN 0.333 nan 8.360 nan 0.000 0.444 90 T N 3.573 118.166 114.554 0.065 0.000 2.769 90 T HA 0.190 4.540 4.350 -0.000 0.000 0.293 90 T C -2.006 172.635 174.700 -0.098 0.000 0.931 90 T CA -1.287 60.816 62.100 0.005 0.000 1.139 90 T CB 0.013 68.892 68.868 0.020 0.000 0.881 90 T HN 0.341 nan 8.240 nan 0.000 0.532 91 P HA 0.342 nan 4.420 nan 0.000 0.282 91 P C -0.428 176.776 177.300 -0.160 0.000 1.249 91 P CA -0.682 62.184 63.100 -0.389 0.000 0.806 91 P CB 0.979 32.120 31.700 -0.932 0.000 0.984 92 E N 1.735 121.890 120.200 -0.074 0.000 2.216 92 E HA 0.309 4.659 4.350 -0.000 0.000 0.279 92 E C -0.370 176.280 176.600 0.083 0.000 0.997 92 E CA -0.861 55.547 56.400 0.014 0.000 0.817 92 E CB 0.646 30.357 29.700 0.018 0.000 1.096 92 E HN 0.339 nan 8.360 nan 0.000 0.393 93 I N 5.919 126.561 120.570 0.121 0.000 2.581 93 I HA -0.125 4.045 4.170 -0.000 0.000 0.285 93 I C 1.418 177.601 176.117 0.110 0.000 1.129 93 I CA -0.170 61.235 61.300 0.175 0.000 1.397 93 I CB 0.525 38.623 38.000 0.163 0.000 1.399 93 I HN 0.665 nan 8.210 nan 0.000 0.537 94 L N 5.127 126.413 121.223 0.105 0.000 1.988 94 L HA -0.006 4.334 4.340 -0.000 0.000 0.207 94 L C 0.624 177.510 176.870 0.027 0.000 1.071 94 L CA 2.167 57.038 54.840 0.052 0.000 0.744 94 L CB -0.396 41.683 42.059 0.033 0.000 0.893 94 L HN 0.709 nan 8.230 nan 0.000 0.433 95 D N -2.897 117.510 120.400 0.011 0.000 2.579 95 D HA 0.399 5.039 4.640 -0.000 0.000 0.257 95 D C -1.068 175.230 176.300 -0.004 0.000 1.176 95 D CA -0.466 53.534 54.000 -0.001 0.000 0.914 95 D CB 1.837 42.627 40.800 -0.016 0.000 1.431 95 D HN -0.094 nan 8.370 nan 0.000 0.454 96 L N 1.583 122.797 121.223 -0.015 0.000 2.804 96 L HA 0.412 4.752 4.340 -0.000 0.000 0.294 96 L C -0.884 175.945 176.870 -0.069 0.000 1.355 96 L CA -0.098 54.727 54.840 -0.024 0.000 0.749 96 L CB 0.417 42.478 42.059 0.003 0.000 1.103 96 L HN 0.275 nan 8.230 nan 0.000 0.542 97 S N 1.244 116.894 115.700 -0.084 0.000 2.552 97 S HA 0.635 5.105 4.470 -0.000 0.000 0.289 97 S C 0.306 174.798 174.600 -0.179 0.000 1.304 97 S CA 0.399 58.523 58.200 -0.127 0.000 1.063 97 S CB 0.524 63.658 63.200 -0.111 0.000 0.848 97 S HN 0.589 nan 8.310 nan 0.000 0.499 98 A N 2.980 125.637 122.820 -0.272 0.000 2.393 98 A HA 0.508 4.828 4.320 -0.000 0.000 0.306 98 A C -0.581 176.714 177.584 -0.480 0.000 1.050 98 A CA -0.819 50.996 52.037 -0.371 0.000 0.724 98 A CB 1.003 19.734 19.000 -0.449 0.000 1.248 98 A HN 0.737 nan 8.150 nan 0.000 0.424 99 D N 1.505 121.680 120.400 -0.375 0.000 2.302 99 D HA 0.386 5.026 4.640 -0.000 0.000 0.248 99 D C -0.165 175.923 176.300 -0.353 0.000 1.094 99 D CA -0.012 53.814 54.000 -0.291 0.000 0.897 99 D CB 0.709 41.422 40.800 -0.145 0.000 1.200 99 D HN 0.457 nan 8.370 nan 0.000 0.429 100 F N 1.700 121.582 119.950 -0.114 0.000 2.559 100 F HA 0.032 4.559 4.527 -0.000 0.000 0.286 100 F C 1.835 177.637 175.800 0.003 0.000 1.108 100 F CA -0.586 57.311 58.000 -0.172 0.000 1.436 100 F CB 0.111 38.909 39.000 -0.337 0.000 1.130 100 F HN 0.379 nan 8.300 nan 0.000 0.584 101 F N 1.451 121.474 119.950 0.121 0.000 2.126 101 F HA -0.222 4.305 4.527 -0.000 0.000 0.299 101 F C 2.448 178.290 175.800 0.070 0.000 1.096 101 F CA 2.024 60.085 58.000 0.100 0.000 1.255 101 F CB -0.390 38.639 39.000 0.049 0.000 0.997 101 F HN -0.075 nan 8.300 nan 0.000 0.479 102 T N -3.592 111.027 114.554 0.108 0.000 3.085 102 T HA 0.181 4.530 4.350 -0.000 0.000 0.264 102 T C 0.736 175.390 174.700 -0.077 0.000 1.019 102 T CA 0.372 62.466 62.100 -0.010 0.000 0.910 102 T CB -0.433 68.458 68.868 0.039 0.000 1.059 102 T HN 0.297 nan 8.240 nan 0.000 0.542 103 S N 1.146 116.817 115.700 -0.047 0.000 3.477 103 S HA -0.107 4.363 4.470 -0.000 0.000 0.426 103 S C 0.074 174.532 174.600 -0.236 0.000 0.874 103 S CA 0.470 58.621 58.200 -0.082 0.000 1.341 103 S CB -1.867 61.314 63.200 -0.032 0.000 0.917 103 S HN 1.779 nan 8.310 nan 0.000 0.607 104 S N 3.353 118.892 115.700 -0.270 0.000 2.596 104 S HA 0.868 5.338 4.470 -0.000 0.000 0.270 104 S C -1.281 173.136 174.600 -0.306 0.000 1.155 104 S CA -1.191 56.792 58.200 -0.361 0.000 0.827 104 S CB 1.556 64.571 63.200 -0.309 0.000 1.130 104 S HN 0.477 nan 8.310 nan 0.000 0.467 105 L N 1.462 122.520 121.223 -0.275 0.000 2.354 105 L HA 0.758 5.098 4.340 -0.000 0.000 0.269 105 L C -1.102 175.666 176.870 -0.169 0.000 1.005 105 L CA -0.690 54.051 54.840 -0.165 0.000 0.819 105 L CB 1.663 43.724 42.059 0.004 0.000 1.311 105 L HN 0.900 nan 8.230 nan 0.000 0.423 106 L N 3.608 124.755 121.223 -0.126 0.000 2.385 106 L HA 0.702 5.042 4.340 -0.000 0.000 0.273 106 L C -1.445 175.401 176.870 -0.040 0.000 0.990 106 L CA -0.516 54.260 54.840 -0.106 0.000 0.821 106 L CB 1.814 43.796 42.059 -0.129 0.000 1.279 106 L HN 0.480 nan 8.230 nan 0.000 0.412 107 L N 5.499 126.719 121.223 -0.004 0.000 2.376 107 L HA 0.694 5.034 4.340 -0.000 0.000 0.275 107 L C -1.261 175.446 176.870 -0.271 0.000 0.987 107 L CA -0.215 54.624 54.840 -0.002 0.000 0.828 107 L CB 1.318 43.511 42.059 0.225 0.000 1.249 107 L HN 0.738 nan 8.230 nan 0.000 0.409 108 K N 5.435 125.643 120.400 -0.321 0.000 2.397 108 K HA 0.670 4.990 4.320 -0.000 0.000 0.253 108 K C -1.567 174.795 176.600 -0.398 0.000 0.932 108 K CA -0.711 55.245 56.287 -0.552 0.000 0.795 108 K CB 1.619 33.966 32.500 -0.255 0.000 1.159 108 K HN 0.727 nan 8.250 nan 0.000 0.424 109 W N 0.580 121.814 121.300 -0.110 0.000 3.040 109 W HA 0.400 5.060 4.660 -0.000 0.000 0.344 109 W C -0.899 175.571 176.519 -0.081 0.000 1.201 109 W CA -1.008 56.293 57.345 -0.073 0.000 1.119 109 W CB 0.651 30.098 29.460 -0.021 0.000 1.478 109 W HN 0.402 nan 8.180 nan 0.000 0.586 110 N N 2.276 121.184 118.700 0.348 0.000 2.462 110 N HA 0.018 4.758 4.740 -0.000 0.000 0.242 110 N C -1.078 174.556 175.510 0.206 0.000 1.010 110 N CA -0.056 53.122 53.050 0.214 0.000 0.939 110 N CB 0.600 39.145 38.487 0.097 0.000 1.127 110 N HN 0.357 nan 8.380 nan 0.000 0.509 111 D N 2.806 123.422 120.400 0.360 0.000 2.346 111 D HA -0.007 4.633 4.640 -0.000 0.000 0.267 111 D C 0.517 176.995 176.300 0.296 0.000 1.320 111 D CA 0.082 54.336 54.000 0.423 0.000 0.951 111 D CB 0.362 41.468 40.800 0.509 0.000 1.079 111 D HN 0.370 nan 8.370 nan 0.000 0.509 112 R N 3.119 123.795 120.500 0.294 0.000 3.441 112 R HA 0.089 4.428 4.340 -0.000 0.000 0.225 112 R C 1.658 178.087 176.300 0.215 0.000 1.756 112 R CA 0.195 56.431 56.100 0.226 0.000 1.504 112 R CB -0.248 30.174 30.300 0.204 0.000 1.183 112 R HN 0.443 nan 8.270 nan 0.000 0.567 113 G N 0.511 109.439 108.800 0.214 0.000 2.537 113 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.220 113 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.220 113 G C 1.334 176.267 174.900 0.055 0.000 1.111 113 G CA 0.730 45.907 45.100 0.128 0.000 0.748 113 G HN 0.369 nan 8.290 nan 0.000 0.564 114 S N 0.200 115.933 115.700 0.056 0.000 2.419 114 S HA 0.125 4.595 4.470 -0.000 0.000 0.233 114 S C 2.229 176.826 174.600 -0.005 0.000 1.016 114 S CA 1.427 59.638 58.200 0.018 0.000 0.974 114 S CB -0.183 63.032 63.200 0.024 0.000 0.786 114 S HN 0.539 nan 8.310 nan 0.000 0.492 115 A N 0.180 123.005 122.820 0.009 0.000 2.430 115 A HA 0.549 4.869 4.320 -0.000 0.000 0.243 115 A C 0.001 177.550 177.584 -0.060 0.000 1.254 115 A CA -0.358 51.668 52.037 -0.019 0.000 0.914 115 A CB 0.064 19.067 19.000 0.004 0.000 0.998 115 A HN 0.456 nan 8.150 nan 0.000 0.515 116 L N 1.489 122.669 121.223 -0.071 0.000 2.372 116 L HA 0.396 4.736 4.340 -0.000 0.000 0.273 116 L C -2.604 174.196 176.870 -0.116 0.000 0.989 116 L CA -2.126 52.640 54.840 -0.123 0.000 0.841 116 L CB 1.948 43.904 42.059 -0.172 0.000 1.225 116 L HN -0.019 nan 8.230 nan 0.000 0.414 117 P HA 0.041 nan 4.420 nan 0.000 0.268 117 P C -0.144 177.119 177.300 -0.061 0.000 1.208 117 P CA 0.171 63.185 63.100 -0.143 0.000 0.777 117 P CB 0.246 31.956 31.700 0.017 0.000 0.875 118 H N -2.075 116.963 119.070 -0.054 0.000 2.820 118 H HA -0.163 4.393 4.556 -0.000 0.000 0.323 118 H C -2.009 173.308 175.328 -0.018 0.000 1.116 118 H CA -0.111 55.911 56.048 -0.043 0.000 1.146 118 H CB -2.320 27.398 29.762 -0.073 0.000 1.021 118 H HN 0.382 nan 8.280 nan 0.000 0.763 119 P HA 0.034 nan 4.420 nan 0.000 0.253 119 P C -0.738 176.596 177.300 0.057 0.000 1.170 119 P CA 0.919 64.066 63.100 0.077 0.000 0.806 119 P CB 0.379 32.125 31.700 0.076 0.000 0.775 120 S N 2.816 118.527 115.700 0.018 0.000 2.779 120 S HA 0.229 4.699 4.470 -0.000 0.000 0.293 120 S C -0.350 174.218 174.600 -0.054 0.000 1.150 120 S CA -0.681 57.500 58.200 -0.031 0.000 1.057 120 S CB 0.294 63.448 63.200 -0.076 0.000 1.021 120 S HN 0.336 nan 8.310 nan 0.000 0.485 121 N N 2.995 121.663 118.700 -0.052 0.000 2.431 121 N HA 0.422 5.162 4.740 -0.000 0.000 0.265 121 N C -0.518 174.907 175.510 -0.142 0.000 1.184 121 N CA 0.016 53.037 53.050 -0.049 0.000 0.943 121 N CB 0.558 39.032 38.487 -0.021 0.000 1.080 121 N HN 0.635 nan 8.380 nan 0.000 0.477 122 A N 2.697 125.447 122.820 -0.117 0.000 2.414 122 A HA 0.729 5.049 4.320 -0.000 0.000 0.306 122 A C -0.558 176.975 177.584 -0.084 0.000 1.054 122 A CA -0.686 51.185 52.037 -0.277 0.000 0.724 122 A CB 1.066 19.808 19.000 -0.430 0.000 1.267 122 A HN 0.716 nan 8.150 nan 0.000 0.418 123 T N -1.414 113.024 114.554 -0.194 0.000 2.893 123 T HA 0.695 5.045 4.350 -0.000 0.000 0.291 123 T C -1.244 173.483 174.700 0.046 0.000 1.028 123 T CA -0.421 61.731 62.100 0.086 0.000 0.995 123 T CB 0.962 69.888 68.868 0.097 0.000 1.051 123 T HN 0.563 nan 8.240 nan 0.000 0.470 124 W N 0.971 122.332 121.300 0.102 0.000 2.532 124 W HA 0.572 5.232 4.660 -0.000 0.000 0.321 124 W C 0.156 176.769 176.519 0.157 0.000 1.037 124 W CA -0.961 56.463 57.345 0.132 0.000 1.220 124 W CB 1.241 30.681 29.460 -0.033 0.000 1.361 124 W HN 0.845 nan 8.180 nan 0.000 0.468 125 E N 3.725 124.157 120.200 0.386 0.000 2.042 125 E HA 0.369 4.719 4.350 -0.000 0.000 0.260 125 E C -0.321 176.426 176.600 0.245 0.000 0.975 125 E CA -0.253 56.280 56.400 0.221 0.000 0.799 125 E CB 0.148 29.881 29.700 0.054 0.000 1.131 125 E HN 0.421 nan 8.360 nan 0.000 0.423 126 I N 3.348 123.973 120.570 0.091 0.000 2.882 126 I HA 0.144 4.314 4.170 -0.000 0.000 0.286 126 I C 0.340 176.443 176.117 -0.024 0.000 1.139 126 I CA 0.240 61.544 61.300 0.007 0.000 1.379 126 I CB 0.690 38.463 38.000 -0.379 0.000 1.410 126 I HN 0.407 nan 8.210 nan 0.000 0.594 127 K N 4.411 124.782 120.400 -0.048 0.000 2.606 127 K HA 0.367 4.687 4.320 -0.000 0.000 0.259 127 K C -0.918 175.584 176.600 -0.163 0.000 1.001 127 K CA -0.523 55.670 56.287 -0.155 0.000 0.881 127 K CB 1.582 33.893 32.500 -0.316 0.000 1.288 127 K HN 0.479 nan 8.250 nan 0.000 0.452 128 V N 2.232 122.038 119.914 -0.181 0.000 4.635 128 V HA 0.760 4.879 4.120 -0.000 0.000 0.272 128 V C -0.155 175.872 176.094 -0.113 0.000 1.265 128 V CA -0.350 61.864 62.300 -0.143 0.000 0.747 128 V CB 0.523 32.161 31.823 -0.308 0.000 1.246 128 V HN 0.897 nan 8.190 nan 0.000 0.404 129 L N -1.107 120.102 121.223 -0.025 0.000 3.951 129 L HA 0.158 4.498 4.340 -0.000 0.000 0.210 129 L C -0.076 176.762 176.870 -0.054 0.000 1.027 129 L CA 0.188 55.001 54.840 -0.046 0.000 1.028 129 L CB 1.385 43.388 42.059 -0.094 0.000 1.411 129 L HN 1.076 nan 8.230 nan 0.000 0.377 130 Q N 1.056 120.764 119.800 -0.154 0.000 2.345 130 Q HA 0.415 4.755 4.340 -0.000 0.000 0.176 130 Q C -0.069 175.783 176.000 -0.247 0.000 0.723 130 Q CA 0.037 55.652 55.803 -0.313 0.000 0.743 130 Q CB 0.674 29.134 28.738 -0.462 0.000 1.260 130 Q HN 0.676 nan 8.270 nan 0.000 0.535 131 N N 0.133 118.691 118.700 -0.236 0.000 2.266 131 N HA 0.262 5.002 4.740 -0.000 0.000 0.217 131 N C -2.204 173.226 175.510 -0.134 0.000 1.211 131 N CA -0.312 52.602 53.050 -0.225 0.000 0.881 131 N CB -0.022 38.238 38.487 -0.378 0.000 1.153 131 N HN 0.220 nan 8.380 nan 0.000 0.489 132 P HA 0.216 nan 4.420 nan 0.000 0.273 132 P C 0.977 178.242 177.300 -0.058 0.000 1.250 132 P CA 0.044 63.105 63.100 -0.064 0.000 0.793 132 P CB 0.582 32.253 31.700 -0.048 0.000 1.011 133 R N -0.394 120.083 120.500 -0.038 0.000 2.241 133 R HA 0.006 4.346 4.340 -0.000 0.000 0.224 133 R C 1.289 177.560 176.300 -0.048 0.000 1.101 133 R CA 1.951 58.028 56.100 -0.037 0.000 0.995 133 R CB -1.208 29.079 30.300 -0.020 0.000 0.870 133 R HN 0.624 nan 8.270 nan 0.000 0.463 134 T N -0.923 113.603 114.554 -0.047 0.000 2.838 134 T HA 0.460 4.810 4.350 -0.000 0.000 0.292 134 T C -1.360 173.305 174.700 -0.058 0.000 1.113 134 T CA -0.183 61.884 62.100 -0.055 0.000 1.008 134 T CB 1.393 70.239 68.868 -0.036 0.000 1.259 134 T HN 0.499 nan 8.240 nan 0.000 0.520 135 E N 1.635 121.795 120.200 -0.068 0.000 2.374 135 E HA 0.369 4.718 4.350 -0.000 0.000 0.260 135 E C -2.018 174.570 176.600 -0.020 0.000 1.101 135 E CA -1.489 54.870 56.400 -0.067 0.000 0.907 135 E CB -0.394 29.241 29.700 -0.109 0.000 1.014 135 E HN 0.258 nan 8.360 nan 0.000 0.427 136 P HA -0.017 nan 4.420 nan 0.000 0.211 136 P C -0.142 177.164 177.300 0.010 0.000 1.191 136 P CA 1.033 64.176 63.100 0.072 0.000 0.909 136 P CB 0.058 31.880 31.700 0.204 0.000 0.770 137 V N -4.194 115.639 119.914 -0.135 0.000 2.604 137 V HA 0.894 5.013 4.120 -0.000 0.000 0.305 137 V C -0.941 175.046 176.094 -0.178 0.000 1.043 137 V CA -1.284 60.915 62.300 -0.168 0.000 0.888 137 V CB 1.404 33.042 31.823 -0.308 0.000 0.995 137 V HN 0.160 nan 8.190 nan 0.000 0.429 138 A N 5.446 128.208 122.820 -0.096 0.000 2.745 138 A HA 0.818 5.137 4.320 -0.000 0.000 0.301 138 A C -1.286 176.271 177.584 -0.045 0.000 1.188 138 A CA -0.258 51.730 52.037 -0.083 0.000 0.746 138 A CB 0.430 19.402 19.000 -0.047 0.000 1.207 138 A HN 0.849 nan 8.150 nan 0.000 0.432 139 L N 1.684 122.840 121.223 -0.113 0.000 2.354 139 L HA 0.735 5.074 4.340 -0.000 0.000 0.269 139 L C 0.037 176.830 176.870 -0.129 0.000 1.005 139 L CA -0.777 54.023 54.840 -0.065 0.000 0.819 139 L CB 2.116 44.190 42.059 0.025 0.000 1.311 139 L HN 0.596 nan 8.230 nan 0.000 0.423 140 V N 0.669 120.578 119.914 -0.009 0.000 2.513 140 V HA 0.684 4.804 4.120 -0.000 0.000 0.299 140 V C -0.509 175.627 176.094 0.070 0.000 1.035 140 V CA -0.726 61.607 62.300 0.055 0.000 0.889 140 V CB 1.617 33.526 31.823 0.143 0.000 0.988 140 V HN 0.555 nan 8.190 nan 0.000 0.440 141 L N 4.152 125.442 121.223 0.110 0.000 2.307 141 L HA 0.452 4.792 4.340 -0.000 0.000 0.284 141 L C 0.956 177.947 176.870 0.202 0.000 1.023 141 L CA -0.732 54.179 54.840 0.119 0.000 0.810 141 L CB 1.940 44.022 42.059 0.038 0.000 1.231 141 L HN 0.756 nan 8.230 nan 0.000 0.423 142 L N 1.770 123.089 121.223 0.159 0.000 2.083 142 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 142 L C 0.945 177.922 176.870 0.178 0.000 1.083 142 L CA 0.545 55.476 54.840 0.151 0.000 0.752 142 L CB -1.059 41.070 42.059 0.115 0.000 0.899 142 L HN 0.690 nan 8.230 nan 0.000 0.433 143 N N 0.497 119.310 118.700 0.188 0.000 2.594 143 N HA -0.220 4.520 4.740 -0.000 0.000 0.331 143 N C 0.060 175.689 175.510 0.199 0.000 1.147 143 N CA 0.746 53.922 53.050 0.211 0.000 0.757 143 N CB -0.126 38.515 38.487 0.257 0.000 1.015 143 N HN 0.323 nan 8.380 nan 0.000 0.574 144 T N 4.313 118.948 114.554 0.136 0.000 2.884 144 T HA 0.241 4.591 4.350 -0.000 0.000 0.298 144 T C 0.270 175.042 174.700 0.119 0.000 0.998 144 T CA -0.594 61.567 62.100 0.101 0.000 1.124 144 T CB 0.285 69.196 68.868 0.071 0.000 0.931 144 T HN 0.453 nan 8.240 nan 0.000 0.531 145 M N 4.991 124.649 119.600 0.097 0.000 2.363 145 M HA 0.585 5.064 4.480 -0.000 0.000 0.343 145 M C -0.941 175.403 176.300 0.073 0.000 1.165 145 M CA -0.761 54.605 55.300 0.109 0.000 1.046 145 M CB 0.659 33.313 32.600 0.092 0.000 1.648 145 M HN 0.612 nan 8.290 nan 0.000 0.452 146 L N 3.987 125.257 121.223 0.077 0.000 2.275 146 L HA 0.559 4.899 4.340 -0.000 0.000 0.288 146 L C 0.602 177.492 176.870 0.033 0.000 1.046 146 L CA -0.588 54.283 54.840 0.052 0.000 0.805 146 L CB 0.278 42.368 42.059 0.053 0.000 1.193 146 L HN 0.940 nan 8.230 nan 0.000 0.426 147 S N 2.695 118.401 115.700 0.010 0.000 2.573 147 S HA 0.544 5.014 4.470 -0.000 0.000 0.277 147 S C 1.382 175.964 174.600 -0.029 0.000 1.346 147 S CA 0.793 58.976 58.200 -0.029 0.000 1.034 147 S CB 0.644 63.803 63.200 -0.068 0.000 0.879 147 S HN 2.878 nan 8.310 nan 0.000 0.528 148 G N 1.571 110.342 108.800 -0.048 0.000 5.059 148 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.336 148 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.336 148 G C 0.483 175.382 174.900 -0.002 0.000 1.364 148 G CA 1.099 46.179 45.100 -0.034 0.000 1.020 148 G HN 1.857 nan 8.290 nan 0.000 0.807 149 K N 1.819 122.224 120.400 0.008 0.000 2.405 149 K HA 0.377 4.697 4.320 -0.000 0.000 0.276 149 K C 0.382 177.011 176.600 0.047 0.000 1.099 149 K CA 0.999 57.300 56.287 0.024 0.000 1.120 149 K CB -0.510 32.005 32.500 0.024 0.000 0.877 149 K HN 0.568 nan 8.250 nan 0.000 0.472 150 D N 2.153 122.584 120.400 0.053 0.000 2.493 150 D HA 0.036 4.676 4.640 -0.000 0.000 0.240 150 D C 0.886 177.236 176.300 0.083 0.000 1.142 150 D CA 0.886 54.934 54.000 0.081 0.000 0.872 150 D CB 0.978 41.819 40.800 0.070 0.000 1.173 150 D HN 0.740 nan 8.370 nan 0.000 0.467 151 T N -1.760 112.866 114.554 0.121 0.000 2.895 151 T HA 0.471 4.821 4.350 -0.000 0.000 0.283 151 T C 0.246 174.997 174.700 0.085 0.000 1.014 151 T CA -0.965 61.195 62.100 0.100 0.000 1.037 151 T CB 1.425 70.365 68.868 0.119 0.000 1.006 151 T HN 0.099 nan 8.240 nan 0.000 0.468 152 V N 0.883 120.784 119.914 -0.022 0.000 2.219 152 V HA 0.421 4.541 4.120 -0.000 0.000 0.267 152 V C 0.300 176.115 176.094 -0.466 0.000 1.266 152 V CA -0.910 61.297 62.300 -0.155 0.000 1.270 152 V CB -0.367 31.374 31.823 -0.137 0.000 1.356 152 V HN 0.836 nan 8.190 nan 0.000 0.490 153 Q N 1.679 121.237 119.800 -0.403 0.000 2.299 153 Q HA 0.428 4.768 4.340 -0.000 0.000 0.246 153 Q C -0.623 174.540 176.000 -1.394 0.000 0.935 153 Q CA 0.183 55.574 55.803 -0.687 0.000 0.887 153 Q CB 1.578 30.219 28.738 -0.162 0.000 1.223 153 Q HN 0.881 nan 8.270 nan 0.000 0.439 154 H N -0.018 118.677 119.070 -0.625 0.000 2.595 154 H HA 0.492 5.048 4.556 -0.000 0.000 0.346 154 H C -1.201 173.979 175.328 -0.248 0.000 1.181 154 H CA -0.600 55.145 56.048 -0.505 0.000 1.242 154 H CB 1.334 30.941 29.762 -0.259 0.000 1.652 154 H HN 0.567 nan 8.280 nan 0.000 0.548 155 W N 2.107 123.291 121.300 -0.192 0.000 2.884 155 W HA 0.295 4.955 4.660 -0.000 0.000 0.336 155 W C -1.407 175.124 176.519 0.020 0.000 1.038 155 W CA -0.735 56.588 57.345 -0.037 0.000 1.247 155 W CB 1.244 30.726 29.460 0.036 0.000 1.351 155 W HN 0.466 nan 8.180 nan 0.000 0.446 156 N N 5.739 124.163 118.700 -0.461 0.000 2.801 156 N HA 0.102 4.842 4.740 -0.000 0.000 0.235 156 N C -1.149 173.949 175.510 -0.687 0.000 1.069 156 N CA -0.271 52.503 53.050 -0.460 0.000 0.946 156 N CB 0.261 38.596 38.487 -0.254 0.000 1.212 156 N HN 0.556 nan 8.380 nan 0.000 0.509 157 W N 3.252 123.886 121.300 -1.110 0.000 2.516 157 W HA 0.457 5.117 4.660 -0.000 0.000 0.343 157 W C -0.698 175.536 176.519 -0.475 0.000 1.094 157 W CA -0.180 56.593 57.345 -0.953 0.000 1.250 157 W CB 1.078 29.708 29.460 -1.383 0.000 1.308 157 W HN 0.152 nan 8.180 nan 0.000 0.588 158 T N 2.927 116.609 114.554 -1.453 0.000 2.861 158 T HA 0.195 4.544 4.350 -0.000 0.000 0.287 158 T C -0.662 173.049 174.700 -1.648 0.000 1.003 158 T CA -0.740 60.635 62.100 -1.209 0.000 0.977 158 T CB 1.541 70.046 68.868 -0.606 0.000 0.996 158 T HN 0.342 nan 8.240 nan 0.000 0.448 159 S N 2.691 117.713 115.700 -1.130 0.000 3.024 159 S HA 0.013 4.483 4.470 -0.000 0.000 0.316 159 S C 1.332 175.756 174.600 -0.293 0.000 1.197 159 S CA -0.399 57.362 58.200 -0.730 0.000 1.097 159 S CB -0.825 62.169 63.200 -0.344 0.000 1.471 159 S HN 0.637 nan 8.310 nan 0.000 0.543 160 D N 3.037 123.327 120.400 -0.183 0.000 2.968 160 D HA -0.247 4.392 4.640 -0.000 0.000 0.215 160 D C 1.320 177.662 176.300 0.071 0.000 1.086 160 D CA 2.144 56.163 54.000 0.031 0.000 0.891 160 D CB -0.046 40.869 40.800 0.192 0.000 1.019 160 D HN 0.441 nan 8.370 nan 0.000 0.494 161 L N 0.921 122.226 121.223 0.136 0.000 2.350 161 L HA 0.143 4.482 4.340 -0.000 0.000 0.209 161 L C -1.446 175.499 176.870 0.125 0.000 1.215 161 L CA 0.039 54.975 54.840 0.161 0.000 2.667 161 L CB -1.399 40.777 42.059 0.195 0.000 2.466 161 L HN 0.092 nan 8.230 nan 0.000 1.095 162 P HA 0.140 nan 4.420 nan 0.000 0.333 162 P C -0.837 176.551 177.300 0.147 0.000 1.315 162 P CA 0.106 63.287 63.100 0.135 0.000 0.746 162 P CB 0.636 32.413 31.700 0.129 0.000 1.575 163 L N -0.588 120.738 121.223 0.172 0.000 2.913 163 L HA 0.248 4.588 4.340 -0.000 0.000 0.283 163 L C 0.293 177.363 176.870 0.334 0.000 1.336 163 L CA -0.167 54.800 54.840 0.212 0.000 0.815 163 L CB -0.271 41.943 42.059 0.258 0.000 1.188 163 L HN 0.321 nan 8.230 nan 0.000 0.551 164 Q N -1.706 118.303 119.800 0.348 0.000 2.311 164 Q HA -0.253 4.087 4.340 -0.000 0.000 0.178 164 Q C 1.819 178.170 176.000 0.586 0.000 0.596 164 Q CA 1.677 57.775 55.803 0.493 0.000 1.377 164 Q CB -2.516 26.520 28.738 0.496 0.000 1.372 164 Q HN 0.832 nan 8.270 nan 0.000 0.896 165 c N -0.515 118.183 118.600 0.163 0.000 2.397 165 c HA 0.308 4.878 4.570 -0.000 0.000 0.286 165 c C 1.230 175.351 174.090 0.052 0.000 1.308 165 c CA 0.477 56.660 56.329 -0.245 0.000 1.805 165 c CB -1.020 41.247 42.510 -0.405 0.000 1.952 165 c HN 0.658 nan 8.230 nan 0.000 0.518 166 A N 1.416 124.318 122.820 0.137 0.000 2.340 166 A HA 0.592 4.912 4.320 -0.000 0.000 0.297 166 A C 0.263 177.820 177.584 -0.045 0.000 1.195 166 A CA 0.407 52.471 52.037 0.044 0.000 0.769 166 A CB 0.384 19.414 19.000 0.049 0.000 1.163 166 A HN 0.722 nan 8.150 nan 0.000 0.472 167 T N 0.781 115.292 114.554 -0.072 0.000 2.930 167 T HA 0.422 4.772 4.350 -0.000 0.000 0.306 167 T C 0.007 174.659 174.700 -0.080 0.000 1.045 167 T CA 0.341 62.454 62.100 0.022 0.000 1.134 167 T CB 0.095 68.974 68.868 0.019 0.000 0.961 167 T HN 0.613 nan 8.240 nan 0.000 0.545 168 H N 0.615 119.706 119.070 0.034 0.000 2.533 168 H HA 0.648 5.204 4.556 -0.000 0.000 0.343 168 H C 0.016 175.352 175.328 0.013 0.000 1.160 168 H CA -0.475 55.596 56.048 0.037 0.000 1.218 168 H CB 1.749 31.572 29.762 0.102 0.000 1.566 168 H HN 0.703 nan 8.280 nan 0.000 0.522 169 S N 0.765 116.534 115.700 0.115 0.000 2.568 169 S HA 0.605 5.075 4.470 -0.000 0.000 0.302 169 S C -1.028 173.603 174.600 0.051 0.000 1.082 169 S CA -0.730 57.500 58.200 0.050 0.000 1.009 169 S CB 2.054 65.240 63.200 -0.023 0.000 1.069 169 S HN 0.330 nan 8.310 nan 0.000 0.500 170 V N 1.293 121.230 119.914 0.039 0.000 3.007 170 V HA 0.883 5.002 4.120 -0.000 0.000 0.311 170 V C -0.743 175.363 176.094 0.020 0.000 1.120 170 V CA -0.166 62.160 62.300 0.043 0.000 0.980 170 V CB 2.463 34.358 31.823 0.119 0.000 1.033 170 V HN 0.862 nan 8.190 nan 0.000 0.429 171 S N 3.483 119.185 115.700 0.003 0.000 2.579 171 S HA 0.851 5.321 4.470 -0.000 0.000 0.272 171 S C -1.775 172.953 174.600 0.213 0.000 1.141 171 S CA -0.432 57.787 58.200 0.032 0.000 0.843 171 S CB 1.679 64.741 63.200 -0.229 0.000 1.122 171 S HN 1.030 nan 8.310 nan 0.000 0.468 172 I N 3.172 123.974 120.570 0.387 0.000 2.627 172 I HA 0.556 4.725 4.170 -0.000 0.000 0.288 172 I C -1.301 174.984 176.117 0.280 0.000 1.202 172 I CA -0.357 61.183 61.300 0.400 0.000 1.050 172 I CB 1.680 39.844 38.000 0.274 0.000 1.264 172 I HN 0.753 nan 8.210 nan 0.000 0.429 173 R N 6.483 127.034 120.500 0.086 0.000 2.589 173 R HA 0.838 5.178 4.340 -0.000 0.000 0.293 173 R C -1.528 174.869 176.300 0.162 0.000 0.963 173 R CA -0.622 55.388 56.100 -0.151 0.000 0.905 173 R CB 1.287 31.065 30.300 -0.869 0.000 1.144 173 R HN 0.622 nan 8.270 nan 0.000 0.459 174 W N 1.863 123.074 121.300 -0.148 0.000 2.781 174 W HA 0.524 5.184 4.660 -0.000 0.000 0.345 174 W C -1.651 174.676 176.519 -0.321 0.000 1.085 174 W CA -1.828 55.273 57.345 -0.406 0.000 1.198 174 W CB 0.344 29.036 29.460 -1.279 0.000 1.423 174 W HN 0.850 nan 8.180 nan 0.000 0.532 175 H N 2.183 120.805 119.070 -0.747 0.000 2.823 175 H HA 0.586 5.142 4.556 -0.000 0.000 0.332 175 H C -1.628 173.197 175.328 -0.839 0.000 0.980 175 H CA -0.656 54.803 56.048 -0.981 0.000 1.286 175 H CB 1.157 29.923 29.762 -1.660 0.000 1.541 175 H HN 0.309 nan 8.280 nan 0.000 0.521 176 I N 4.218 123.995 120.570 -1.321 0.000 2.428 176 I HA 0.185 4.355 4.170 -0.000 0.000 0.289 176 I C 0.116 175.613 176.117 -1.034 0.000 1.019 176 I CA 0.081 60.732 61.300 -1.083 0.000 1.351 176 I CB 1.210 38.685 38.000 -0.876 0.000 1.412 176 I HN 0.714 nan 8.210 nan 0.000 0.513 177 D N 3.283 123.286 120.400 -0.662 0.000 2.269 177 D HA 0.649 5.289 4.640 -0.000 0.000 0.244 177 D C -1.181 174.997 176.300 -0.203 0.000 0.992 177 D CA -0.315 53.474 54.000 -0.352 0.000 0.894 177 D CB 1.614 42.283 40.800 -0.218 0.000 1.248 177 D HN 0.346 nan 8.370 nan 0.000 0.468 178 S N 1.704 117.363 115.700 -0.068 0.000 2.614 178 S HA 0.482 4.952 4.470 -0.000 0.000 0.275 178 S C -2.376 172.266 174.600 0.070 0.000 1.161 178 S CA -1.261 56.950 58.200 0.018 0.000 0.969 178 S CB 1.714 64.946 63.200 0.054 0.000 1.059 178 S HN 0.286 nan 8.310 nan 0.000 0.482 179 P HA 0.105 nan 4.420 nan 0.000 0.233 179 P C 0.381 177.647 177.300 -0.058 0.000 1.167 179 P CA 0.587 63.684 63.100 -0.004 0.000 0.770 179 P CB -0.012 31.683 31.700 -0.008 0.000 0.837 180 H N -2.023 117.074 119.070 0.046 0.000 2.507 180 H HA 0.282 4.838 4.556 -0.000 0.000 0.294 180 H C -0.546 174.888 175.328 0.177 0.000 1.064 180 H CA -0.194 55.886 56.048 0.053 0.000 1.138 180 H CB 0.031 29.779 29.762 -0.022 0.000 1.515 180 H HN 0.108 nan 8.280 nan 0.000 0.547 181 F N -0.545 119.424 119.950 0.032 0.000 2.576 181 F HA 0.258 4.785 4.527 -0.000 0.000 0.313 181 F C 0.603 176.401 175.800 -0.003 0.000 1.078 181 F CA -0.548 57.469 58.000 0.028 0.000 0.921 181 F CB 2.177 41.187 39.000 0.015 0.000 1.232 181 F HN -0.240 nan 8.300 nan 0.000 0.459 182 S N 1.129 116.472 115.700 -0.594 0.000 2.564 182 S HA 0.263 4.733 4.470 -0.000 0.000 0.231 182 S C 0.758 175.136 174.600 -0.370 0.000 1.067 182 S CA 0.215 58.190 58.200 -0.374 0.000 0.908 182 S CB 0.350 63.360 63.200 -0.316 0.000 0.809 182 S HN 0.812 nan 8.310 nan 0.000 0.491 183 G N 0.483 108.904 108.800 -0.632 0.000 2.599 183 G HA2 0.417 4.377 3.960 -0.000 0.000 0.264 183 G HA3 0.417 4.377 3.960 -0.000 0.000 0.264 183 G C -0.727 174.151 174.900 -0.036 0.000 1.200 183 G CA -0.757 44.111 45.100 -0.385 0.000 0.896 183 G HN 0.447 nan 8.290 nan 0.000 0.536 184 Y N 0.276 120.588 120.300 0.020 0.000 2.849 184 Y HA -0.030 4.520 4.550 -0.000 0.000 0.362 184 Y C 0.943 176.902 175.900 0.098 0.000 1.320 184 Y CA -0.081 58.042 58.100 0.039 0.000 1.678 184 Y CB -0.197 38.273 38.460 0.015 0.000 1.220 184 Y HN 0.204 nan 8.280 nan 0.000 0.518 185 K N 4.017 124.561 120.400 0.239 0.000 2.378 185 K HA 0.097 4.417 4.320 -0.000 0.000 0.288 185 K C -0.004 176.688 176.600 0.153 0.000 1.057 185 K CA -0.082 56.324 56.287 0.198 0.000 0.971 185 K CB 0.538 33.153 32.500 0.191 0.000 0.975 185 K HN 0.518 nan 8.250 nan 0.000 0.475 186 E N 1.684 121.954 120.200 0.117 0.000 2.299 186 E HA 0.233 4.583 4.350 -0.000 0.000 0.265 186 E C -0.900 175.720 176.600 0.034 0.000 0.911 186 E CA -0.890 55.539 56.400 0.049 0.000 0.789 186 E CB 1.188 30.945 29.700 0.095 0.000 1.246 186 E HN 0.468 nan 8.360 nan 0.000 0.427 187 W N 1.987 123.229 121.300 -0.096 0.000 2.304 187 W HA 0.027 4.687 4.660 -0.000 0.000 0.313 187 W C 1.395 177.839 176.519 -0.125 0.000 1.323 187 W CA -0.178 57.079 57.345 -0.146 0.000 1.223 187 W CB 0.792 30.120 29.460 -0.219 0.000 1.237 187 W HN 0.437 nan 8.180 nan 0.000 0.535 188 S N 2.343 118.256 115.700 0.356 0.000 2.549 188 S HA 0.336 4.806 4.470 -0.000 0.000 0.260 188 S C -0.313 174.292 174.600 0.008 0.000 1.217 188 S CA -0.354 57.940 58.200 0.156 0.000 1.001 188 S CB 0.644 63.956 63.200 0.187 0.000 1.059 188 S HN 0.464 nan 8.310 nan 0.000 0.537 189 D N -1.808 118.555 120.400 -0.061 0.000 2.533 189 D HA 0.378 5.017 4.640 -0.000 0.000 0.247 189 D C -1.400 174.796 176.300 -0.174 0.000 1.056 189 D CA -0.852 53.036 54.000 -0.187 0.000 1.054 189 D CB -0.285 40.486 40.800 -0.048 0.000 1.400 189 D HN 0.720 nan 8.370 nan 0.000 0.533 190 W N 0.879 122.159 121.300 -0.033 0.000 2.190 190 W HA 0.304 4.964 4.660 -0.000 0.000 0.330 190 W C 1.022 177.528 176.519 -0.021 0.000 1.299 190 W CA -0.493 56.828 57.345 -0.041 0.000 1.215 190 W CB 0.788 30.215 29.460 -0.056 0.000 1.147 190 W HN 0.306 nan 8.180 nan 0.000 0.563 191 S N 4.022 119.919 115.700 0.328 0.000 2.579 191 S HA 0.237 4.707 4.470 -0.000 0.000 0.275 191 S C -2.074 172.608 174.600 0.136 0.000 1.345 191 S CA -1.463 56.839 58.200 0.170 0.000 1.031 191 S CB 0.442 63.730 63.200 0.146 0.000 0.892 191 S HN 0.252 nan 8.310 nan 0.000 0.529 192 P HA 0.149 nan 4.420 nan 0.000 0.267 192 P C -0.398 176.931 177.300 0.047 0.000 1.209 192 P CA -0.264 62.870 63.100 0.057 0.000 0.763 192 P CB 0.232 31.958 31.700 0.044 0.000 0.816 193 L N 3.125 124.360 121.223 0.021 0.000 2.483 193 L HA 0.106 4.446 4.340 -0.000 0.000 0.275 193 L C 1.140 178.023 176.870 0.020 0.000 1.220 193 L CA 0.613 55.455 54.840 0.004 0.000 0.833 193 L CB 0.017 42.054 42.059 -0.037 0.000 1.102 193 L HN 0.309 nan 8.230 nan 0.000 0.490 194 K N 2.171 122.589 120.400 0.030 0.000 2.323 194 K HA 0.389 4.709 4.320 -0.000 0.000 0.259 194 K C -1.302 175.322 176.600 0.040 0.000 0.947 194 K CA -0.473 55.838 56.287 0.041 0.000 0.819 194 K CB 0.933 33.469 32.500 0.060 0.000 1.109 194 K HN 0.365 nan 8.250 nan 0.000 0.429 195 N N 3.979 122.699 118.700 0.034 0.000 2.417 195 N HA 0.371 5.111 4.740 -0.000 0.000 0.274 195 N C -0.803 174.732 175.510 0.042 0.000 0.987 195 N CA -0.578 52.494 53.050 0.036 0.000 0.912 195 N CB 0.938 39.438 38.487 0.023 0.000 1.177 195 N HN 0.518 nan 8.380 nan 0.000 0.490 196 I N -1.184 119.422 120.570 0.060 0.000 2.648 196 I HA 0.804 4.973 4.170 -0.000 0.000 0.304 196 I C 0.025 176.202 176.117 0.099 0.000 1.009 196 I CA -0.836 60.495 61.300 0.052 0.000 1.114 196 I CB 1.926 39.934 38.000 0.014 0.000 1.293 196 I HN 0.394 nan 8.210 nan 0.000 0.449 197 S N 2.328 118.102 115.700 0.123 0.000 2.570 197 S HA 0.457 4.927 4.470 -0.000 0.000 0.270 197 S C -1.494 173.289 174.600 0.306 0.000 1.149 197 S CA -0.724 57.591 58.200 0.192 0.000 0.837 197 S CB 1.192 64.472 63.200 0.133 0.000 1.124 197 S HN 0.851 nan 8.310 nan 0.000 0.465 198 W N 3.244 124.625 121.300 0.134 0.000 2.287 198 W HA 0.431 5.091 4.660 -0.000 0.000 0.313 198 W C -0.399 176.116 176.519 -0.006 0.000 1.267 198 W CA -1.086 56.264 57.345 0.009 0.000 1.201 198 W CB 0.605 29.964 29.460 -0.169 0.000 1.196 198 W HN 0.725 nan 8.180 nan 0.000 0.536 199 I N 4.059 124.747 120.570 0.197 0.000 2.317 199 I HA 0.301 4.471 4.170 -0.000 0.000 0.286 199 I C 0.723 177.008 176.117 0.281 0.000 1.119 199 I CA -0.767 60.651 61.300 0.196 0.000 1.228 199 I CB 0.327 38.393 38.000 0.109 0.000 1.476 199 I HN 0.078 nan 8.210 nan 0.000 0.514 200 R N 4.250 124.959 120.500 0.348 0.000 3.150 200 R HA -0.158 4.182 4.340 -0.000 0.000 0.279 200 R C 0.400 176.824 176.300 0.206 0.000 0.742 200 R CA 0.704 56.952 56.100 0.247 0.000 1.080 200 R CB -0.270 30.037 30.300 0.012 0.000 0.918 200 R HN 0.802 nan 8.270 nan 0.000 0.386 201 N N 0.589 119.466 118.700 0.295 0.000 2.109 201 N HA -0.090 4.650 4.740 -0.000 0.000 0.188 201 N C 0.184 175.769 175.510 0.125 0.000 1.034 201 N CA 1.160 54.321 53.050 0.184 0.000 0.846 201 N CB 0.087 38.691 38.487 0.196 0.000 1.010 201 N HN 0.499 nan 8.380 nan 0.000 0.425 202 T N -1.070 113.559 114.554 0.126 0.000 2.858 202 T HA 0.173 4.523 4.350 -0.000 0.000 0.285 202 T C 0.819 175.534 174.700 0.026 0.000 1.052 202 T CA -0.787 61.353 62.100 0.067 0.000 1.009 202 T CB 2.062 70.966 68.868 0.060 0.000 1.241 202 T HN 0.108 nan 8.240 nan 0.000 0.542 203 E N 0.874 121.078 120.200 0.007 0.000 2.085 203 E HA -0.127 4.222 4.350 -0.000 0.000 0.194 203 E C 1.027 177.597 176.600 -0.051 0.000 0.994 203 E CA 1.417 57.807 56.400 -0.017 0.000 0.801 203 E CB -0.581 29.119 29.700 0.001 0.000 0.743 203 E HN 0.637 nan 8.360 nan 0.000 0.453 204 T N -0.151 114.374 114.554 -0.049 0.000 2.870 204 T HA -0.144 4.206 4.350 -0.000 0.000 0.311 204 T C -0.184 174.440 174.700 -0.127 0.000 1.052 204 T CA 1.050 63.087 62.100 -0.104 0.000 1.131 204 T CB -0.031 68.728 68.868 -0.182 0.000 1.082 204 T HN 0.483 nan 8.240 nan 0.000 0.511 205 N N 1.422 120.011 118.700 -0.184 0.000 2.390 205 N HA 0.340 5.080 4.740 -0.000 0.000 0.259 205 N C -1.404 173.980 175.510 -0.209 0.000 1.395 205 N CA -0.422 52.481 53.050 -0.245 0.000 0.852 205 N CB 1.187 39.366 38.487 -0.512 0.000 1.371 205 N HN 0.495 nan 8.380 nan 0.000 0.491 206 V N -2.597 117.234 119.914 -0.139 0.000 2.891 206 V HA 0.701 4.821 4.120 -0.000 0.000 0.304 206 V C -1.392 174.609 176.094 -0.155 0.000 1.171 206 V CA -0.956 61.286 62.300 -0.097 0.000 0.943 206 V CB 1.544 33.321 31.823 -0.077 0.000 1.037 206 V HN -0.094 nan 8.190 nan 0.000 0.427 207 F N 3.391 123.291 119.950 -0.084 0.000 2.576 207 F HA 0.930 5.456 4.527 -0.000 0.000 0.313 207 F C -2.618 173.195 175.800 0.022 0.000 1.078 207 F CA -1.933 56.052 58.000 -0.024 0.000 0.921 207 F CB 3.287 42.272 39.000 -0.025 0.000 1.232 207 F HN 0.394 nan 8.300 nan 0.000 0.459 208 P HA 0.291 nan 4.420 nan 0.000 0.292 208 P C -1.511 175.732 177.300 -0.095 0.000 1.300 208 P CA -0.794 62.337 63.100 0.052 0.000 0.900 208 P CB 1.554 33.318 31.700 0.108 0.000 1.139 209 Q N 0.948 120.624 119.800 -0.207 0.000 2.259 209 Q HA 0.190 4.530 4.340 -0.000 0.000 0.246 209 Q C 0.051 176.028 176.000 -0.038 0.000 0.920 209 Q CA 0.354 56.074 55.803 -0.137 0.000 0.895 209 Q CB 0.210 28.831 28.738 -0.194 0.000 1.220 209 Q HN 0.492 nan 8.270 nan 0.000 0.439 210 D N -0.218 120.201 120.400 0.033 0.000 3.079 210 D HA -0.173 4.467 4.640 -0.000 0.000 0.214 210 D C -0.108 176.273 176.300 0.135 0.000 1.145 210 D CA 1.134 55.215 54.000 0.134 0.000 0.958 210 D CB -0.607 40.266 40.800 0.122 0.000 1.117 210 D HN 0.449 nan 8.370 nan 0.000 0.416 211 K N 0.455 120.891 120.400 0.061 0.000 2.295 211 K HA 0.332 4.651 4.320 -0.000 0.000 0.270 211 K C -0.162 176.511 176.600 0.122 0.000 1.011 211 K CA -0.215 56.084 56.287 0.020 0.000 0.953 211 K CB 0.817 33.294 32.500 -0.040 0.000 0.956 211 K HN -0.093 nan 8.250 nan 0.000 0.477 212 V N 3.924 123.893 119.914 0.092 0.000 2.495 212 V HA 0.490 4.610 4.120 -0.000 0.000 0.298 212 V C -0.315 175.818 176.094 0.066 0.000 1.031 212 V CA -0.914 61.458 62.300 0.119 0.000 0.871 212 V CB 1.139 33.007 31.823 0.075 0.000 0.988 212 V HN 0.612 nan 8.190 nan 0.000 0.432 213 V N 1.780 121.731 119.914 0.062 0.000 3.130 213 V HA 0.617 4.736 4.120 -0.000 0.000 0.310 213 V C -0.372 175.718 176.094 -0.006 0.000 1.158 213 V CA -1.195 61.117 62.300 0.020 0.000 1.029 213 V CB 2.041 33.869 31.823 0.009 0.000 1.057 213 V HN 0.785 nan 8.190 nan 0.000 0.436 214 L N 2.591 123.793 121.223 -0.035 0.000 2.513 214 L HA 0.520 4.860 4.340 -0.000 0.000 0.272 214 L C 1.146 177.931 176.870 -0.142 0.000 1.187 214 L CA 0.100 54.886 54.840 -0.091 0.000 0.895 214 L CB 0.711 42.724 42.059 -0.076 0.000 1.147 214 L HN 1.105 nan 8.230 nan 0.000 0.483 215 A N 4.497 127.152 122.820 -0.274 0.000 2.550 215 A HA 0.366 4.685 4.320 -0.000 0.000 0.263 215 A C 1.038 178.486 177.584 -0.227 0.000 1.065 215 A CA 0.627 52.471 52.037 -0.322 0.000 0.786 215 A CB -0.887 17.667 19.000 -0.743 0.000 0.985 215 A HN 1.416 nan 8.150 nan 0.000 0.518 216 G N 1.561 110.295 108.800 -0.109 0.000 2.756 216 G HA2 0.123 4.083 3.960 -0.000 0.000 0.272 216 G HA3 0.123 4.083 3.960 -0.000 0.000 0.272 216 G C -0.050 174.822 174.900 -0.046 0.000 1.128 216 G CA 0.329 45.394 45.100 -0.059 0.000 1.145 216 G HN 2.105 nan 8.290 nan 0.000 0.545 217 S N 0.348 116.029 115.700 -0.032 0.000 2.707 217 S HA 0.482 4.952 4.470 -0.000 0.000 0.312 217 S C 0.822 175.421 174.600 -0.001 0.000 1.116 217 S CA -0.649 57.539 58.200 -0.019 0.000 1.078 217 S CB 0.515 63.701 63.200 -0.023 0.000 0.997 217 S HN 0.373 nan 8.310 nan 0.000 0.477 218 N N 3.974 122.675 118.700 0.002 0.000 2.962 218 N HA -0.063 4.677 4.740 -0.000 0.000 0.287 218 N C 0.261 175.792 175.510 0.034 0.000 1.467 218 N CA 0.493 53.549 53.050 0.010 0.000 1.061 218 N CB -0.726 37.758 38.487 -0.006 0.000 1.416 218 N HN 0.800 nan 8.380 nan 0.000 0.576 219 M N -0.519 119.107 119.600 0.044 0.000 2.233 219 M HA 0.137 4.617 4.480 -0.000 0.000 0.350 219 M C -0.523 175.847 176.300 0.116 0.000 1.176 219 M CA 0.235 55.572 55.300 0.062 0.000 1.150 219 M CB 0.717 33.340 32.600 0.039 0.000 1.530 219 M HN -0.074 nan 8.290 nan 0.000 0.459 220 T N 6.296 120.932 114.554 0.136 0.000 2.823 220 T HA 0.703 5.053 4.350 -0.000 0.000 0.279 220 T C -0.641 174.125 174.700 0.109 0.000 0.998 220 T CA -0.616 61.585 62.100 0.168 0.000 0.994 220 T CB 1.161 70.164 68.868 0.226 0.000 0.960 220 T HN 0.682 nan 8.240 nan 0.000 0.448 221 I N 1.121 121.748 120.570 0.094 0.000 2.769 221 I HA 0.856 5.026 4.170 -0.000 0.000 0.298 221 I C -0.546 175.652 176.117 0.135 0.000 1.128 221 I CA -0.772 60.603 61.300 0.125 0.000 1.031 221 I CB 1.587 39.671 38.000 0.141 0.000 1.235 221 I HN 0.841 nan 8.210 nan 0.000 0.423 222 c N 3.447 122.120 118.600 0.121 0.000 2.913 222 c HA 0.909 5.479 4.570 -0.000 0.000 0.322 222 c C -0.491 173.518 174.090 -0.136 0.000 1.292 222 c CA -1.013 55.327 56.329 0.019 0.000 1.649 222 c CB 0.972 43.492 42.510 0.017 0.000 2.139 222 c HN 1.182 nan 8.230 nan 0.000 0.475 223 C N 4.767 123.879 119.300 -0.313 0.000 2.571 223 C HA 0.566 5.026 4.460 -0.000 0.000 0.343 223 C C -0.319 174.430 174.990 -0.401 0.000 1.082 223 C CA -0.313 58.388 59.018 -0.528 0.000 1.339 223 C CB 0.134 27.172 27.740 -1.171 0.000 1.893 223 C HN 0.997 nan 8.230 nan 0.000 0.445 224 M N 4.468 123.858 119.600 -0.350 0.000 2.307 224 M HA 0.230 4.710 4.480 -0.000 0.000 0.346 224 M C 0.415 176.465 176.300 -0.417 0.000 1.552 224 M CA 0.927 56.011 55.300 -0.361 0.000 1.116 224 M CB 0.586 32.973 32.600 -0.355 0.000 1.889 224 M HN 0.804 nan 8.290 nan 0.000 0.460 225 S N 4.765 120.248 115.700 -0.361 0.000 2.549 225 S HA 0.702 5.172 4.470 -0.000 0.000 0.280 225 S C -2.015 172.450 174.600 -0.225 0.000 1.109 225 S CA -1.186 56.815 58.200 -0.332 0.000 0.905 225 S CB 1.778 64.837 63.200 -0.235 0.000 1.081 225 S HN 0.455 nan 8.310 nan 0.000 0.477 226 P HA 0.146 nan 4.420 nan 0.000 0.219 226 P C 0.229 177.501 177.300 -0.045 0.000 1.154 226 P CA 0.678 63.725 63.100 -0.089 0.000 0.826 226 P CB 0.048 31.720 31.700 -0.048 0.000 0.795 227 T N -0.990 113.560 114.554 -0.006 0.000 2.792 227 T HA 0.568 4.917 4.350 -0.000 0.000 0.280 227 T C -0.192 174.514 174.700 0.010 0.000 0.990 227 T CA -0.695 61.415 62.100 0.016 0.000 0.960 227 T CB 0.104 69.006 68.868 0.056 0.000 0.939 227 T HN 0.090 nan 8.240 nan 0.000 0.439 228 K N 3.690 124.083 120.400 -0.011 0.000 2.397 228 K HA 0.180 4.500 4.320 -0.000 0.000 0.263 228 K C 0.310 176.917 176.600 0.011 0.000 1.143 228 K CA 0.436 56.714 56.287 -0.017 0.000 1.207 228 K CB -1.143 31.343 32.500 -0.024 0.000 0.804 228 K HN 0.726 nan 8.250 nan 0.000 0.494 229 V N 4.722 124.647 119.914 0.019 0.000 2.470 229 V HA 0.074 4.194 4.120 -0.000 0.000 0.276 229 V C 1.722 177.858 176.094 0.071 0.000 1.040 229 V CA 0.129 62.469 62.300 0.067 0.000 1.008 229 V CB 1.023 32.895 31.823 0.081 0.000 0.990 229 V HN 0.843 nan 8.190 nan 0.000 0.477 230 L N 4.710 125.974 121.223 0.070 0.000 2.162 230 L HA 0.185 4.525 4.340 -0.000 0.000 0.205 230 L C 1.100 178.001 176.870 0.051 0.000 1.086 230 L CA 1.059 55.926 54.840 0.046 0.000 0.778 230 L CB 0.482 42.556 42.059 0.024 0.000 0.928 230 L HN 0.710 nan 8.230 nan 0.000 0.446 231 S N -1.391 114.353 115.700 0.073 0.000 2.546 231 S HA 0.721 5.190 4.470 -0.000 0.000 0.274 231 S C -0.603 174.008 174.600 0.019 0.000 1.121 231 S CA -0.155 58.065 58.200 0.033 0.000 0.887 231 S CB 1.800 64.996 63.200 -0.007 0.000 1.094 231 S HN 0.159 nan 8.310 nan 0.000 0.474 232 G N 2.514 111.258 108.800 -0.095 0.000 2.723 232 G HA2 0.636 4.596 3.960 -0.000 0.000 0.295 232 G HA3 0.636 4.596 3.960 -0.000 0.000 0.295 232 G C -1.582 173.105 174.900 -0.355 0.000 1.464 232 G CA -0.732 44.120 45.100 -0.414 0.000 1.012 232 G HN 0.881 nan 8.290 nan 0.000 0.522 233 Q N 0.983 120.523 119.800 -0.433 0.000 2.340 233 Q HA 0.635 4.975 4.340 -0.000 0.000 0.276 233 Q C -1.376 174.486 176.000 -0.230 0.000 1.048 233 Q CA -1.040 54.614 55.803 -0.248 0.000 0.832 233 Q CB 2.127 30.766 28.738 -0.165 0.000 1.373 233 Q HN 0.410 nan 8.270 nan 0.000 0.409 234 I N 0.910 121.390 120.570 -0.149 0.000 2.336 234 I HA 0.535 4.705 4.170 -0.000 0.000 0.292 234 I C 1.019 177.085 176.117 -0.085 0.000 0.991 234 I CA -0.264 60.969 61.300 -0.112 0.000 1.227 234 I CB 1.393 39.347 38.000 -0.076 0.000 1.366 234 I HN 0.898 nan 8.210 nan 0.000 0.466 235 G N 4.608 113.359 108.800 -0.080 0.000 2.332 235 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.277 235 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.277 235 G C 0.677 175.544 174.900 -0.054 0.000 0.884 235 G CA 1.228 46.291 45.100 -0.063 0.000 1.251 235 G HN 1.048 nan 8.290 nan 0.000 0.462 236 N N -2.504 116.159 118.700 -0.062 0.000 2.927 236 N HA -0.234 4.506 4.740 -0.000 0.000 0.220 236 N C 0.823 176.304 175.510 -0.048 0.000 0.845 236 N CA 1.935 54.954 53.050 -0.052 0.000 1.089 236 N CB -1.098 37.366 38.487 -0.039 0.000 0.994 236 N HN 0.771 nan 8.380 nan 0.000 0.616 237 T N 1.738 116.264 114.554 -0.047 0.000 2.987 237 T HA 0.445 4.795 4.350 -0.000 0.000 0.288 237 T C 0.465 175.133 174.700 -0.053 0.000 0.981 237 T CA -0.416 61.660 62.100 -0.039 0.000 1.031 237 T CB -0.260 68.591 68.868 -0.028 0.000 0.976 237 T HN 0.313 nan 8.240 nan 0.000 0.612 238 L N 0.878 122.068 121.223 -0.055 0.000 2.461 238 L HA 0.585 4.925 4.340 -0.000 0.000 0.272 238 L C 0.308 177.149 176.870 -0.049 0.000 1.197 238 L CA -0.650 54.148 54.840 -0.071 0.000 0.836 238 L CB 0.482 42.503 42.059 -0.063 0.000 1.105 238 L HN 0.157 nan 8.230 nan 0.000 0.477 239 R N 1.595 122.061 120.500 -0.057 0.000 2.532 239 R HA 0.449 4.789 4.340 -0.000 0.000 0.295 239 R C -2.426 173.871 176.300 -0.006 0.000 0.968 239 R CA -2.510 53.579 56.100 -0.019 0.000 0.916 239 R CB 0.584 30.880 30.300 -0.007 0.000 1.124 239 R HN 0.468 nan 8.270 nan 0.000 0.463 240 P HA -0.092 nan 4.420 nan 0.000 0.251 240 P C -0.482 176.843 177.300 0.043 0.000 1.154 240 P CA 0.540 63.660 63.100 0.033 0.000 0.805 240 P CB -0.015 31.711 31.700 0.043 0.000 0.759 241 L N 2.359 123.608 121.223 0.044 0.000 2.343 241 L HA 0.695 5.035 4.340 -0.000 0.000 0.275 241 L C -0.100 176.808 176.870 0.063 0.000 1.056 241 L CA -0.606 54.270 54.840 0.059 0.000 0.804 241 L CB 0.942 43.065 42.059 0.107 0.000 1.203 241 L HN 0.086 nan 8.230 nan 0.000 0.440 242 I N 2.197 122.797 120.570 0.050 0.000 2.447 242 I HA 0.257 4.427 4.170 -0.000 0.000 0.287 242 I C -0.267 175.891 176.117 0.068 0.000 1.023 242 I CA -0.504 60.832 61.300 0.060 0.000 1.083 242 I CB 1.318 39.343 38.000 0.043 0.000 1.245 242 I HN 0.836 nan 8.210 nan 0.000 0.434 243 H N 7.612 126.688 119.070 0.009 0.000 3.004 243 H HA 0.094 4.650 4.556 -0.000 0.000 0.316 243 H C -0.188 175.150 175.328 0.016 0.000 1.014 243 H CA 0.417 56.462 56.048 -0.005 0.000 1.454 243 H CB 1.156 30.916 29.762 -0.002 0.000 1.472 243 H HN 0.667 nan 8.280 nan 0.000 0.571 244 L N 4.409 125.459 121.223 -0.289 0.000 2.269 244 L HA -0.014 4.326 4.340 -0.000 0.000 0.200 244 L C 1.081 177.795 176.870 -0.259 0.000 1.069 244 L CA 0.902 55.611 54.840 -0.219 0.000 0.804 244 L CB 0.022 42.100 42.059 0.032 0.000 0.987 244 L HN 0.780 nan 8.230 nan 0.000 0.468 245 Y N -3.503 116.597 120.300 -0.334 0.000 3.275 245 Y HA 0.371 4.921 4.550 -0.000 0.000 0.179 245 Y C 0.933 176.954 175.900 0.202 0.000 1.009 245 Y CA -0.029 58.019 58.100 -0.087 0.000 1.740 245 Y CB 0.072 38.484 38.460 -0.081 0.000 1.412 245 Y HN -0.277 nan 8.280 nan 0.000 0.331 246 G N 1.089 109.659 108.800 -0.383 0.000 4.928 246 G HA2 0.476 4.436 3.960 -0.000 0.000 0.321 246 G HA3 0.476 4.436 3.960 -0.000 0.000 0.321 246 G C -0.487 174.271 174.900 -0.237 0.000 1.455 246 G CA 0.011 44.986 45.100 -0.208 0.000 1.081 246 G HN 0.415 nan 8.290 nan 0.000 0.569 247 Q N -0.279 119.452 119.800 -0.115 0.000 2.169 247 Q HA -0.262 4.078 4.340 -0.000 0.000 0.193 247 Q C 1.234 177.126 176.000 -0.180 0.000 0.674 247 Q CA 1.711 57.449 55.803 -0.109 0.000 1.468 247 Q CB -1.734 26.945 28.738 -0.099 0.000 1.784 247 Q HN 0.757 nan 8.270 nan 0.000 0.697 248 T N -1.383 112.962 114.554 -0.348 0.000 2.769 248 T HA 0.487 4.837 4.350 -0.000 0.000 0.293 248 T C 0.319 174.837 174.700 -0.302 0.000 0.931 248 T CA -0.108 61.742 62.100 -0.416 0.000 1.139 248 T CB 0.945 69.415 68.868 -0.663 0.000 0.881 248 T HN 0.476 nan 8.240 nan 0.000 0.532 249 V N -0.360 119.427 119.914 -0.212 0.000 3.156 249 V HA 1.065 5.185 4.120 -0.000 0.000 0.310 249 V C -0.447 175.599 176.094 -0.080 0.000 1.234 249 V CA -1.297 60.945 62.300 -0.096 0.000 1.065 249 V CB 1.323 33.140 31.823 -0.010 0.000 1.088 249 V HN 1.365 nan 8.190 nan 0.000 0.451 250 A N 1.024 123.843 122.820 -0.001 0.000 2.594 250 A HA 0.945 5.265 4.320 -0.000 0.000 0.295 250 A C -0.947 176.643 177.584 0.009 0.000 1.071 250 A CA -0.574 51.478 52.037 0.025 0.000 0.685 250 A CB 1.655 20.635 19.000 -0.034 0.000 1.285 250 A HN 1.683 nan 8.150 nan 0.000 0.405 251 I N -1.177 119.409 120.570 0.027 0.000 2.957 251 I HA 0.626 4.796 4.170 -0.000 0.000 0.310 251 I C -0.730 175.283 176.117 -0.174 0.000 1.063 251 I CA -0.911 60.353 61.300 -0.059 0.000 1.033 251 I CB 1.864 39.873 38.000 0.016 0.000 1.230 251 I HN 0.553 nan 8.210 nan 0.000 0.447 252 H N 3.642 122.747 119.070 0.059 0.000 2.476 252 H HA 0.475 5.031 4.556 -0.000 0.000 0.328 252 H C -0.795 174.548 175.328 0.025 0.000 1.073 252 H CA -0.570 55.506 56.048 0.045 0.000 1.229 252 H CB 2.148 31.934 29.762 0.041 0.000 1.432 252 H HN 0.445 nan 8.280 nan 0.000 0.477 253 I N 5.670 126.324 120.570 0.140 0.000 2.294 253 I HA -0.088 4.082 4.170 -0.000 0.000 0.295 253 I C 2.073 178.233 176.117 0.071 0.000 1.098 253 I CA -0.080 61.264 61.300 0.073 0.000 1.277 253 I CB 0.275 38.299 38.000 0.040 0.000 1.434 253 I HN 0.562 nan 8.210 nan 0.000 0.498 254 L N 3.974 125.234 121.223 0.062 0.000 2.017 254 L HA -0.224 4.116 4.340 -0.000 0.000 0.234 254 L C 0.595 177.476 176.870 0.020 0.000 1.097 254 L CA 1.719 56.581 54.840 0.036 0.000 0.816 254 L CB -0.420 41.655 42.059 0.025 0.000 0.914 254 L HN 0.741 nan 8.230 nan 0.000 0.444 255 N N -1.508 117.201 118.700 0.015 0.000 2.999 255 N HA 0.319 5.059 4.740 -0.000 0.000 0.244 255 N C -1.673 173.839 175.510 0.004 0.000 1.106 255 N CA -0.416 52.637 53.050 0.006 0.000 1.018 255 N CB 1.096 39.586 38.487 0.006 0.000 1.600 255 N HN 0.442 nan 8.380 nan 0.000 0.621 256 I N 4.413 124.981 120.570 -0.005 0.000 2.330 256 I HA 0.576 4.746 4.170 -0.000 0.000 0.289 256 I C -2.093 174.020 176.117 -0.007 0.000 1.001 256 I CA -2.186 59.111 61.300 -0.006 0.000 1.193 256 I CB 1.477 39.472 38.000 -0.008 0.000 1.345 256 I HN 0.403 nan 8.210 nan 0.000 0.461 257 P HA -0.015 nan 4.420 nan 0.000 0.271 257 P C -0.387 176.935 177.300 0.037 0.000 1.216 257 P CA -0.053 63.064 63.100 0.030 0.000 0.776 257 P CB 1.337 33.056 31.700 0.032 0.000 0.881 258 V N 4.152 124.112 119.914 0.077 0.000 2.420 258 V HA 0.020 4.140 4.120 -0.000 0.000 0.274 258 V C 0.641 176.790 176.094 0.092 0.000 1.003 258 V CA 0.128 62.491 62.300 0.104 0.000 1.092 258 V CB -0.986 30.974 31.823 0.228 0.000 1.002 258 V HN 0.770 nan 8.190 nan 0.000 0.473 259 S N 6.091 121.828 115.700 0.062 0.000 2.560 259 S HA 0.085 4.555 4.470 -0.000 0.000 0.276 259 S C 0.492 175.133 174.600 0.068 0.000 1.350 259 S CA 0.141 58.357 58.200 0.027 0.000 1.024 259 S CB 0.709 63.884 63.200 -0.042 0.000 0.864 259 S HN 0.995 nan 8.310 nan 0.000 0.536 260 E N 2.106 122.329 120.200 0.040 0.000 4.616 260 E HA 0.063 4.413 4.350 -0.000 0.000 0.487 260 E C 0.416 177.083 176.600 0.112 0.000 1.290 260 E CA -0.275 56.166 56.400 0.069 0.000 3.081 260 E CB -0.363 29.364 29.700 0.044 0.000 1.792 260 E HN 0.617 nan 8.360 nan 0.000 0.672 261 N N 0.126 118.890 118.700 0.108 0.000 2.250 261 N HA -0.106 4.634 4.740 -0.000 0.000 0.181 261 N C 1.710 177.337 175.510 0.194 0.000 1.017 261 N CA 1.462 54.608 53.050 0.160 0.000 0.866 261 N CB -0.528 38.024 38.487 0.107 0.000 0.985 261 N HN 0.450 nan 8.380 nan 0.000 0.429 262 S N -0.202 115.541 115.700 0.072 0.000 2.561 262 S HA 0.205 4.675 4.470 -0.000 0.000 0.225 262 S C 0.740 175.236 174.600 -0.173 0.000 0.977 262 S CA 0.645 58.851 58.200 0.011 0.000 0.926 262 S CB -0.634 62.557 63.200 -0.014 0.000 0.769 262 S HN 0.586 nan 8.310 nan 0.000 0.533 263 G N 0.753 109.383 108.800 -0.284 0.000 2.731 263 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.686 263 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.686 263 G C -0.327 174.365 174.900 -0.347 0.000 1.395 263 G CA -0.424 44.282 45.100 -0.658 0.000 0.870 263 G HN 0.876 nan 8.290 nan 0.000 0.591 264 T N 0.573 114.959 114.554 -0.279 0.000 2.907 264 T HA 0.520 4.870 4.350 -0.000 0.000 0.298 264 T C 0.284 174.883 174.700 -0.168 0.000 1.017 264 T CA -0.648 61.353 62.100 -0.164 0.000 1.118 264 T CB 1.148 69.957 68.868 -0.099 0.000 0.948 264 T HN 0.641 nan 8.240 nan 0.000 0.531 265 N N 2.100 120.726 118.700 -0.123 0.000 2.438 265 N HA 0.477 5.217 4.740 -0.000 0.000 0.282 265 N C -0.652 174.800 175.510 -0.095 0.000 1.037 265 N CA -0.619 52.368 53.050 -0.104 0.000 0.942 265 N CB 1.196 39.631 38.487 -0.087 0.000 1.136 265 N HN 0.626 nan 8.380 nan 0.000 0.481 266 I N 2.874 123.392 120.570 -0.086 0.000 2.439 266 I HA 0.456 4.626 4.170 -0.000 0.000 0.285 266 I C -0.201 175.845 176.117 -0.120 0.000 1.021 266 I CA -0.943 60.284 61.300 -0.121 0.000 1.091 266 I CB 0.992 38.935 38.000 -0.096 0.000 1.242 266 I HN 0.367 nan 8.210 nan 0.000 0.439 267 I N 1.730 122.174 120.570 -0.210 0.000 2.689 267 I HA 0.678 4.848 4.170 -0.000 0.000 0.299 267 I C -1.344 174.587 176.117 -0.309 0.000 1.059 267 I CA -0.637 60.587 61.300 -0.127 0.000 1.055 267 I CB 1.990 39.949 38.000 -0.069 0.000 1.243 267 I HN 0.175 nan 8.210 nan 0.000 0.425 268 F N 4.573 124.530 119.950 0.010 0.000 2.508 268 F HA 0.736 5.263 4.527 -0.000 0.000 0.325 268 F C -0.188 175.606 175.800 -0.009 0.000 1.090 268 F CA -0.761 57.253 58.000 0.023 0.000 0.945 268 F CB 1.915 40.963 39.000 0.080 0.000 1.156 268 F HN 0.296 nan 8.300 nan 0.000 0.463 269 I N 1.023 121.683 120.570 0.150 0.000 2.466 269 I HA 0.501 4.671 4.170 -0.000 0.000 0.289 269 I C -0.227 175.928 176.117 0.064 0.000 1.026 269 I CA -0.783 60.544 61.300 0.045 0.000 1.078 269 I CB 1.925 39.920 38.000 -0.007 0.000 1.249 269 I HN 0.615 nan 8.210 nan 0.000 0.429 270 T N -0.940 113.632 114.554 0.030 0.000 2.944 270 T HA 0.219 4.569 4.350 -0.000 0.000 0.284 270 T C 0.809 175.505 174.700 -0.007 0.000 1.010 270 T CA -0.514 61.608 62.100 0.036 0.000 1.025 270 T CB 1.932 70.847 68.868 0.078 0.000 1.079 270 T HN 0.651 nan 8.240 nan 0.000 0.516 271 D N 0.308 120.708 120.400 -0.000 0.000 2.200 271 D HA -0.209 4.431 4.640 -0.000 0.000 0.192 271 D C 1.177 177.462 176.300 -0.026 0.000 1.008 271 D CA 1.733 55.726 54.000 -0.012 0.000 0.872 271 D CB -0.053 40.744 40.800 -0.006 0.000 0.923 271 D HN 0.707 nan 8.370 nan 0.000 0.447 272 D N -0.565 119.818 120.400 -0.028 0.000 2.188 272 D HA -0.028 4.611 4.640 -0.000 0.000 0.239 272 D C 0.268 176.506 176.300 -0.103 0.000 1.059 272 D CA 0.461 54.434 54.000 -0.046 0.000 0.931 272 D CB 0.116 40.904 40.800 -0.020 0.000 1.011 272 D HN 0.092 nan 8.370 nan 0.000 0.424 273 D N -1.451 118.838 120.400 -0.185 0.000 2.569 273 D HA 0.403 5.043 4.640 -0.000 0.000 0.266 273 D C -1.090 174.903 176.300 -0.512 0.000 1.164 273 D CA -0.491 53.298 54.000 -0.353 0.000 1.071 273 D CB 2.063 42.602 40.800 -0.434 0.000 1.183 273 D HN -0.174 nan 8.370 nan 0.000 0.613 274 V N 1.585 121.143 119.914 -0.593 0.000 2.447 274 V HA 0.363 4.483 4.120 -0.000 0.000 0.292 274 V C -1.347 174.505 176.094 -0.403 0.000 1.021 274 V CA -0.786 61.272 62.300 -0.403 0.000 0.850 274 V CB 0.627 32.340 31.823 -0.183 0.000 1.005 274 V HN 0.429 nan 8.190 nan 0.000 0.426 275 Y N 2.530 122.866 120.300 0.060 0.000 2.335 275 Y HA 0.862 5.412 4.550 -0.000 0.000 0.338 275 Y C 0.776 176.761 175.900 0.141 0.000 0.977 275 Y CA -0.567 57.561 58.100 0.047 0.000 1.114 275 Y CB 2.332 40.780 38.460 -0.019 0.000 1.182 275 Y HN 0.768 nan 8.280 nan 0.000 0.463 276 G N 0.608 109.533 108.800 0.208 0.000 2.695 276 G HA2 0.698 4.658 3.960 -0.000 0.000 0.290 276 G HA3 0.698 4.658 3.960 -0.000 0.000 0.290 276 G C -1.494 173.453 174.900 0.079 0.000 1.410 276 G CA -0.946 44.249 45.100 0.160 0.000 0.844 276 G HN 0.383 nan 8.290 nan 0.000 0.478 277 T N -0.185 114.396 114.554 0.046 0.000 2.952 277 T HA 0.511 4.861 4.350 -0.000 0.000 0.305 277 T C -0.622 174.050 174.700 -0.046 0.000 1.064 277 T CA -0.373 61.725 62.100 -0.004 0.000 1.008 277 T CB 1.859 70.739 68.868 0.020 0.000 1.078 277 T HN 0.482 nan 8.240 nan 0.000 0.459 278 V N 3.068 122.939 119.914 -0.072 0.000 2.481 278 V HA 0.622 4.742 4.120 -0.000 0.000 0.286 278 V C -0.121 175.891 176.094 -0.135 0.000 1.042 278 V CA -0.576 61.636 62.300 -0.147 0.000 0.928 278 V CB 1.526 33.223 31.823 -0.210 0.000 0.986 278 V HN 0.711 nan 8.190 nan 0.000 0.462 279 V N 4.518 124.320 119.914 -0.186 0.000 2.680 279 V HA 0.524 4.644 4.120 -0.000 0.000 0.309 279 V C -0.810 175.145 176.094 -0.232 0.000 1.052 279 V CA -0.609 61.628 62.300 -0.106 0.000 0.908 279 V CB 1.932 33.736 31.823 -0.031 0.000 1.001 279 V HN 0.664 nan 8.190 nan 0.000 0.431 280 F N 2.703 122.655 119.950 0.004 0.000 2.404 280 F HA 0.715 5.242 4.527 -0.000 0.000 0.354 280 F C 0.635 176.440 175.800 0.008 0.000 1.122 280 F CA -0.390 57.617 58.000 0.013 0.000 1.080 280 F CB 1.489 40.502 39.000 0.021 0.000 1.131 280 F HN 0.545 nan 8.300 nan 0.000 0.471 281 A N 2.729 125.643 122.820 0.156 0.000 2.276 281 A HA 0.797 5.117 4.320 -0.000 0.000 0.316 281 A C 0.077 177.717 177.584 0.095 0.000 1.229 281 A CA -0.305 51.780 52.037 0.079 0.000 0.851 281 A CB 0.446 19.464 19.000 0.030 0.000 1.165 281 A HN 0.884 nan 8.150 nan 0.000 0.513 282 G N 0.422 109.241 108.800 0.031 0.000 2.519 282 G HA2 0.570 4.530 3.960 -0.000 0.000 0.307 282 G HA3 0.570 4.530 3.960 -0.000 0.000 0.307 282 G C -1.513 173.349 174.900 -0.063 0.000 1.266 282 G CA -0.414 44.720 45.100 0.055 0.000 0.970 282 G HN 0.523 nan 8.290 nan 0.000 0.481 283 Y N 1.686 122.023 120.300 0.062 0.000 2.330 283 Y HA 0.413 4.963 4.550 -0.000 0.000 0.336 283 Y C -1.572 174.357 175.900 0.048 0.000 1.036 283 Y CA -1.833 56.300 58.100 0.054 0.000 1.125 283 Y CB 2.218 40.714 38.460 0.060 0.000 1.194 283 Y HN 0.318 nan 8.280 nan 0.000 0.469 284 P HA 0.052 nan 4.420 nan 0.000 0.270 284 P C -2.629 174.749 177.300 0.130 0.000 1.223 284 P CA -1.345 61.820 63.100 0.108 0.000 0.785 284 P CB 0.135 31.882 31.700 0.078 0.000 0.923 285 P HA 0.074 nan 4.420 nan 0.000 0.269 285 P C -0.498 176.869 177.300 0.112 0.000 1.215 285 P CA 0.436 63.584 63.100 0.080 0.000 0.780 285 P CB 0.339 32.021 31.700 -0.030 0.000 0.898 286 D N 0.399 120.890 120.400 0.153 0.000 2.168 286 D HA 0.097 4.737 4.640 -0.000 0.000 0.246 286 D C -0.408 175.996 176.300 0.173 0.000 1.050 286 D CA -0.753 53.332 54.000 0.142 0.000 0.857 286 D CB 1.042 41.914 40.800 0.120 0.000 1.169 286 D HN 0.052 nan 8.370 nan 0.000 0.453 287 V N 5.495 125.487 119.914 0.130 0.000 2.899 287 V HA -0.023 4.097 4.120 -0.000 0.000 0.293 287 V C -2.174 174.018 176.094 0.164 0.000 1.114 287 V CA -0.436 61.939 62.300 0.124 0.000 1.270 287 V CB -0.097 31.778 31.823 0.087 0.000 0.814 287 V HN 0.532 nan 8.190 nan 0.000 0.457 288 P HA 0.260 nan 4.420 nan 0.000 0.279 288 P C -0.076 177.343 177.300 0.199 0.000 1.239 288 P CA -0.199 63.066 63.100 0.275 0.000 0.789 288 P CB 1.047 32.906 31.700 0.265 0.000 0.933 289 Q N 2.442 122.367 119.800 0.208 0.000 1.786 289 Q HA 0.040 4.380 4.340 -0.000 0.000 0.353 289 Q C 1.570 177.631 176.000 0.103 0.000 0.943 289 Q CA 0.859 56.733 55.803 0.118 0.000 0.879 289 Q CB -1.109 27.669 28.738 0.067 0.000 1.049 289 Q HN 0.459 nan 8.270 nan 0.000 0.435 290 K N 1.797 122.240 120.400 0.072 0.000 3.077 290 K HA 0.089 4.409 4.320 -0.000 0.000 0.269 290 K C 0.498 177.146 176.600 0.079 0.000 0.973 290 K CA -0.029 56.289 56.287 0.052 0.000 1.162 290 K CB -1.666 30.840 32.500 0.008 0.000 1.079 290 K HN 0.189 nan 8.250 nan 0.000 0.456 291 L N 1.268 122.557 121.223 0.109 0.000 2.615 291 L HA 0.260 4.600 4.340 -0.000 0.000 0.271 291 L C -0.086 176.834 176.870 0.084 0.000 1.183 291 L CA 0.516 55.425 54.840 0.115 0.000 0.933 291 L CB 0.150 42.255 42.059 0.077 0.000 1.199 291 L HN 0.219 nan 8.230 nan 0.000 0.487 292 S N 4.474 120.222 115.700 0.080 0.000 2.649 292 S HA 0.513 4.983 4.470 -0.000 0.000 0.274 292 S C -0.789 173.834 174.600 0.039 0.000 1.176 292 S CA -0.705 57.538 58.200 0.072 0.000 0.988 292 S CB 0.401 63.668 63.200 0.112 0.000 1.071 292 S HN 0.777 nan 8.310 nan 0.000 0.478 293 c N 4.143 122.739 118.600 -0.006 0.000 2.364 293 c HA 0.873 5.443 4.570 -0.000 0.000 0.356 293 c C 0.465 174.497 174.090 -0.098 0.000 1.201 293 c CA -0.600 55.689 56.329 -0.068 0.000 2.227 293 c CB 0.309 42.729 42.510 -0.150 0.000 2.387 293 c HN 0.962 nan 8.230 nan 0.000 0.546 294 E N -0.151 119.989 120.200 -0.100 0.000 2.350 294 E HA 0.668 5.018 4.350 -0.000 0.000 0.243 294 E C -1.354 175.183 176.600 -0.104 0.000 0.959 294 E CA -0.529 55.756 56.400 -0.191 0.000 0.883 294 E CB 1.627 31.251 29.700 -0.127 0.000 1.820 294 E HN 0.491 nan 8.360 nan 0.000 0.441 295 T N -0.930 113.577 114.554 -0.078 0.000 3.105 295 T HA 0.301 4.651 4.350 -0.000 0.000 0.321 295 T C -0.513 174.254 174.700 0.112 0.000 1.135 295 T CA -0.468 61.636 62.100 0.006 0.000 1.053 295 T CB 0.959 69.768 68.868 -0.099 0.000 1.133 295 T HN 0.587 nan 8.240 nan 0.000 0.463 296 H N 2.068 121.042 119.070 -0.161 0.000 2.520 296 H HA 0.190 4.746 4.556 -0.000 0.000 0.279 296 H C -0.054 175.118 175.328 -0.260 0.000 0.990 296 H CA -0.085 55.812 56.048 -0.252 0.000 1.288 296 H CB 0.628 30.097 29.762 -0.488 0.000 1.446 296 H HN 0.635 nan 8.280 nan 0.000 0.538 297 D N 0.056 120.403 120.400 -0.089 0.000 2.497 297 D HA 0.180 4.820 4.640 -0.000 0.000 0.243 297 D C 0.182 176.342 176.300 -0.233 0.000 1.039 297 D CA -0.822 53.098 54.000 -0.133 0.000 1.052 297 D CB 1.260 42.041 40.800 -0.033 0.000 1.344 297 D HN -0.056 nan 8.370 nan 0.000 0.553 298 L N -0.097 120.904 121.223 -0.371 0.000 2.741 298 L HA 0.226 4.566 4.340 -0.000 0.000 0.237 298 L C 1.643 178.411 176.870 -0.171 0.000 1.178 298 L CA 0.016 54.686 54.840 -0.282 0.000 0.973 298 L CB -0.053 41.796 42.059 -0.349 0.000 1.255 298 L HN 0.327 nan 8.230 nan 0.000 0.498 299 K N 0.550 120.872 120.400 -0.131 0.000 2.021 299 K HA -0.030 4.290 4.320 -0.000 0.000 0.205 299 K C 0.586 177.148 176.600 -0.063 0.000 1.047 299 K CA 0.899 57.138 56.287 -0.080 0.000 0.943 299 K CB 0.276 32.747 32.500 -0.049 0.000 0.725 299 K HN 0.307 nan 8.250 nan 0.000 0.439 300 E N 0.572 120.734 120.200 -0.065 0.000 2.317 300 E HA 0.316 4.666 4.350 -0.000 0.000 0.270 300 E C -0.991 175.569 176.600 -0.066 0.000 0.885 300 E CA -0.609 55.762 56.400 -0.048 0.000 0.760 300 E CB 1.649 31.328 29.700 -0.034 0.000 1.227 300 E HN -0.043 nan 8.360 nan 0.000 0.434 301 I N 2.226 122.774 120.570 -0.037 0.000 2.488 301 I HA 0.366 4.536 4.170 -0.000 0.000 0.299 301 I C -0.292 175.772 176.117 -0.088 0.000 0.984 301 I CA -1.054 60.216 61.300 -0.051 0.000 1.250 301 I CB 1.086 39.117 38.000 0.051 0.000 1.389 301 I HN 0.499 nan 8.210 nan 0.000 0.488 302 I N 4.052 124.551 120.570 -0.117 0.000 2.582 302 I HA 0.302 4.472 4.170 -0.000 0.000 0.292 302 I C -0.944 175.093 176.117 -0.132 0.000 1.066 302 I CA -0.036 61.195 61.300 -0.116 0.000 1.053 302 I CB 1.916 39.855 38.000 -0.101 0.000 1.241 302 I HN 0.499 nan 8.210 nan 0.000 0.421 303 c N 3.719 122.241 118.600 -0.129 0.000 2.319 303 c HA 0.592 5.162 4.570 -0.000 0.000 0.323 303 c C 0.305 174.468 174.090 0.123 0.000 1.277 303 c CA -0.898 55.378 56.329 -0.088 0.000 1.517 303 c CB 0.288 42.645 42.510 -0.255 0.000 2.206 303 c HN 0.765 nan 8.230 nan 0.000 0.486 304 S N 2.520 118.279 115.700 0.099 0.000 2.565 304 S HA 0.614 5.084 4.470 -0.000 0.000 0.276 304 S C -0.617 174.121 174.600 0.230 0.000 1.326 304 S CA -0.361 57.897 58.200 0.097 0.000 1.045 304 S CB 0.457 63.676 63.200 0.032 0.000 0.918 304 S HN 0.919 nan 8.310 nan 0.000 0.505 305 W N 1.753 122.950 121.300 -0.172 0.000 3.161 305 W HA 0.556 5.216 4.660 -0.000 0.000 0.314 305 W C -1.965 174.414 176.519 -0.234 0.000 1.245 305 W CA -0.690 56.548 57.345 -0.179 0.000 1.191 305 W CB 0.821 30.169 29.460 -0.187 0.000 1.392 305 W HN 0.489 nan 8.180 nan 0.000 0.568 306 N N 3.319 121.886 118.700 -0.221 0.000 2.392 306 N HA 0.390 5.130 4.740 -0.000 0.000 0.283 306 N C -1.419 174.011 175.510 -0.133 0.000 1.003 306 N CA -2.332 50.503 53.050 -0.359 0.000 0.892 306 N CB 2.599 40.969 38.487 -0.196 0.000 1.193 306 N HN 0.278 nan 8.380 nan 0.000 0.487 307 P HA -0.110 nan 4.420 nan 0.000 0.218 307 P C 0.748 178.177 177.300 0.216 0.000 1.154 307 P CA 1.933 65.106 63.100 0.122 0.000 0.872 307 P CB 0.097 31.896 31.700 0.164 0.000 0.790 308 G N -0.467 108.391 108.800 0.096 0.000 2.466 308 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 308 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 308 G C -0.598 174.338 174.900 0.060 0.000 1.237 308 G CA -0.199 44.952 45.100 0.086 0.000 0.954 308 G HN 0.525 nan 8.290 nan 0.000 0.580 309 R N 0.472 120.996 120.500 0.041 0.000 2.522 309 R HA 0.304 4.644 4.340 -0.000 0.000 0.284 309 R C 0.027 176.342 176.300 0.024 0.000 1.032 309 R CA -0.156 55.934 56.100 -0.017 0.000 1.049 309 R CB -0.287 29.960 30.300 -0.087 0.000 0.956 309 R HN 0.461 nan 8.270 nan 0.000 0.422 310 I N 3.505 124.081 120.570 0.010 0.000 2.395 310 I HA 0.041 4.211 4.170 -0.000 0.000 0.289 310 I C 1.767 177.916 176.117 0.053 0.000 1.023 310 I CA -0.095 61.248 61.300 0.071 0.000 1.350 310 I CB 1.441 39.488 38.000 0.079 0.000 1.409 310 I HN 0.643 nan 8.210 nan 0.000 0.507 311 T N 1.790 116.421 114.554 0.127 0.000 3.148 311 T HA 0.181 4.531 4.350 -0.000 0.000 0.253 311 T C 1.405 176.233 174.700 0.213 0.000 1.134 311 T CA 0.407 62.618 62.100 0.185 0.000 1.051 311 T CB -0.774 68.195 68.868 0.169 0.000 0.959 311 T HN 1.222 nan 8.240 nan 0.000 0.525 312 G N 0.698 109.596 108.800 0.164 0.000 2.155 312 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.257 312 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.257 312 G C -0.119 174.881 174.900 0.166 0.000 0.983 312 G CA 0.649 45.848 45.100 0.165 0.000 0.676 312 G HN 0.660 nan 8.290 nan 0.000 0.528 313 L N -0.703 120.609 121.223 0.149 0.000 2.301 313 L HA 0.884 5.224 4.340 -0.000 0.000 0.264 313 L C 0.319 177.244 176.870 0.093 0.000 1.016 313 L CA -1.476 53.439 54.840 0.125 0.000 0.821 313 L CB 2.308 44.420 42.059 0.087 0.000 1.346 313 L HN 0.294 nan 8.230 nan 0.000 0.429 314 V N -1.785 118.159 119.914 0.050 0.000 2.760 314 V HA 0.906 5.026 4.120 -0.000 0.000 0.309 314 V C 0.416 176.495 176.094 -0.025 0.000 1.077 314 V CA 0.006 62.328 62.300 0.036 0.000 0.910 314 V CB 0.670 32.531 31.823 0.064 0.000 1.008 314 V HN 1.001 nan 8.190 nan 0.000 0.424 315 G N 4.659 113.439 108.800 -0.033 0.000 2.665 315 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.326 315 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.326 315 G C -0.580 174.228 174.900 -0.152 0.000 1.231 315 G CA 0.877 45.903 45.100 -0.123 0.000 0.992 315 G HN 0.834 nan 8.290 nan 0.000 0.549 316 P HA -0.212 nan 4.420 nan 0.000 0.220 316 P C 1.746 179.025 177.300 -0.035 0.000 1.155 316 P CA 2.710 65.728 63.100 -0.137 0.000 0.880 316 P CB -0.293 31.324 31.700 -0.138 0.000 0.790 317 R N -0.729 119.724 120.500 -0.077 0.000 2.112 317 R HA 0.027 4.367 4.340 -0.000 0.000 0.216 317 R C 1.244 177.565 176.300 0.036 0.000 1.080 317 R CA -0.066 56.000 56.100 -0.057 0.000 0.996 317 R CB -1.779 28.416 30.300 -0.175 0.000 0.902 317 R HN 0.239 nan 8.270 nan 0.000 0.449 318 N N 2.289 121.036 118.700 0.077 0.000 2.073 318 N HA -0.140 4.600 4.740 -0.000 0.000 0.276 318 N C -0.146 175.429 175.510 0.108 0.000 1.253 318 N CA 0.536 53.665 53.050 0.132 0.000 0.815 318 N CB 0.530 39.118 38.487 0.169 0.000 1.051 318 N HN 0.132 nan 8.380 nan 0.000 0.477 319 T N 2.011 116.572 114.554 0.011 0.000 2.939 319 T HA -0.119 4.231 4.350 -0.000 0.000 0.319 319 T C 0.055 174.511 174.700 -0.407 0.000 1.082 319 T CA -0.034 61.940 62.100 -0.210 0.000 1.133 319 T CB 0.310 68.967 68.868 -0.352 0.000 1.019 319 T HN 0.610 nan 8.240 nan 0.000 0.548 320 E N 4.335 124.195 120.200 -0.567 0.000 2.267 320 E HA 0.158 4.508 4.350 -0.000 0.000 0.241 320 E C -1.166 175.272 176.600 -0.270 0.000 0.950 320 E CA -0.735 55.296 56.400 -0.615 0.000 0.776 320 E CB 0.042 29.348 29.700 -0.657 0.000 1.207 320 E HN 0.726 nan 8.360 nan 0.000 0.436 321 Y N 1.766 122.090 120.300 0.041 0.000 2.526 321 Y HA 0.109 4.659 4.550 -0.000 0.000 0.330 321 Y C 0.473 176.354 175.900 -0.031 0.000 1.156 321 Y CA 0.305 58.413 58.100 0.013 0.000 1.419 321 Y CB 1.167 39.659 38.460 0.053 0.000 1.250 321 Y HN 0.218 nan 8.280 nan 0.000 0.540 322 T N 5.102 119.679 114.554 0.038 0.000 2.847 322 T HA 0.414 4.764 4.350 -0.000 0.000 0.291 322 T C -0.890 173.806 174.700 -0.007 0.000 0.998 322 T CA -0.689 61.416 62.100 0.008 0.000 0.967 322 T CB 0.933 69.796 68.868 -0.009 0.000 0.954 322 T HN 0.417 nan 8.240 nan 0.000 0.441 323 L N 3.862 125.071 121.223 -0.024 0.000 2.295 323 L HA 0.681 5.020 4.340 -0.000 0.000 0.285 323 L C -1.212 175.752 176.870 0.156 0.000 1.035 323 L CA -0.794 54.046 54.840 -0.001 0.000 0.806 323 L CB 0.830 42.804 42.059 -0.141 0.000 1.214 323 L HN 0.747 nan 8.230 nan 0.000 0.426 324 F N 4.868 124.873 119.950 0.093 0.000 2.577 324 F HA 0.321 4.848 4.527 -0.000 0.000 0.344 324 F C -0.093 175.832 175.800 0.208 0.000 1.145 324 F CA -0.955 57.118 58.000 0.121 0.000 0.996 324 F CB 1.039 40.072 39.000 0.055 0.000 1.248 324 F HN 0.427 nan 8.300 nan 0.000 0.447 325 E N 3.853 124.471 120.200 0.696 0.000 2.217 325 E HA 0.032 4.382 4.350 -0.000 0.000 0.279 325 E C 0.619 177.297 176.600 0.130 0.000 1.068 325 E CA 0.205 56.767 56.400 0.269 0.000 0.882 325 E CB 1.738 31.570 29.700 0.220 0.000 1.039 325 E HN 0.798 nan 8.360 nan 0.000 0.418 326 S N 4.774 120.339 115.700 -0.225 0.000 2.380 326 S HA -0.238 4.232 4.470 -0.000 0.000 0.217 326 S C 2.030 176.522 174.600 -0.180 0.000 1.036 326 S CA 1.829 59.825 58.200 -0.341 0.000 1.050 326 S CB -0.416 62.573 63.200 -0.353 0.000 1.016 326 S HN 0.609 nan 8.310 nan 0.000 0.419 327 I N 1.173 121.607 120.570 -0.227 0.000 2.194 327 I HA -0.082 4.087 4.170 -0.000 0.000 0.246 327 I C 2.361 178.384 176.117 -0.156 0.000 1.093 327 I CA 1.876 63.054 61.300 -0.204 0.000 1.355 327 I CB -1.365 36.478 38.000 -0.262 0.000 1.046 327 I HN 0.226 nan 8.210 nan 0.000 0.413 328 S N 0.385 115.990 115.700 -0.158 0.000 2.398 328 S HA 0.036 4.506 4.470 -0.000 0.000 0.220 328 S C 1.901 176.519 174.600 0.030 0.000 1.038 328 S CA 2.554 60.726 58.200 -0.046 0.000 1.080 328 S CB -1.052 62.175 63.200 0.045 0.000 1.039 328 S HN 0.979 nan 8.310 nan 0.000 0.419 329 G N -0.428 108.459 108.800 0.145 0.000 2.284 329 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.216 329 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.216 329 G C 0.208 175.197 174.900 0.147 0.000 1.009 329 G CA 0.539 45.760 45.100 0.200 0.000 0.625 329 G HN 0.902 nan 8.290 nan 0.000 0.501 330 K N 0.447 120.933 120.400 0.143 0.000 2.355 330 K HA 0.777 5.097 4.320 -0.000 0.000 0.270 330 K C 0.581 177.238 176.600 0.094 0.000 1.003 330 K CA 0.885 57.238 56.287 0.110 0.000 0.957 330 K CB 0.612 33.207 32.500 0.158 0.000 0.939 330 K HN 2.124 nan 8.250 nan 0.000 0.482 331 S N -1.513 114.187 115.700 -0.001 0.000 2.567 331 S HA 0.821 5.291 4.470 -0.000 0.000 0.270 331 S C -0.691 173.886 174.600 -0.039 0.000 1.152 331 S CA -0.246 57.929 58.200 -0.041 0.000 0.835 331 S CB 1.292 64.301 63.200 -0.318 0.000 1.115 331 S HN 1.960 nan 8.310 nan 0.000 0.459 332 A N 0.354 123.167 122.820 -0.012 0.000 2.552 332 A HA 0.982 5.302 4.320 -0.000 0.000 0.288 332 A C -1.244 176.352 177.584 0.020 0.000 1.193 332 A CA -0.812 51.228 52.037 0.005 0.000 0.713 332 A CB 1.488 20.507 19.000 0.032 0.000 1.305 332 A HN 1.905 nan 8.150 nan 0.000 0.424 333 V N -0.167 119.786 119.914 0.064 0.000 2.841 333 V HA 0.764 4.884 4.120 -0.000 0.000 0.310 333 V C -2.061 174.160 176.094 0.210 0.000 1.090 333 V CA -0.574 61.782 62.300 0.093 0.000 0.930 333 V CB 1.797 33.644 31.823 0.041 0.000 1.014 333 V HN 1.062 nan 8.190 nan 0.000 0.425 334 F N 6.116 126.115 119.950 0.081 0.000 2.518 334 F HA 0.766 5.293 4.527 -0.000 0.000 0.323 334 F C -0.891 174.993 175.800 0.141 0.000 1.129 334 F CA -0.179 57.914 58.000 0.155 0.000 0.920 334 F CB 1.402 40.579 39.000 0.295 0.000 1.160 334 F HN 0.671 nan 8.300 nan 0.000 0.440 335 H N 5.484 124.160 119.070 -0.658 0.000 3.181 335 H HA 0.386 4.942 4.556 -0.000 0.000 0.331 335 H C -1.245 173.691 175.328 -0.653 0.000 0.988 335 H CA -0.577 55.169 56.048 -0.503 0.000 1.449 335 H CB 1.325 30.954 29.762 -0.222 0.000 1.749 335 H HN 0.765 nan 8.280 nan 0.000 0.501 336 R N 3.778 124.076 120.500 -0.337 0.000 2.393 336 R HA 0.287 4.627 4.340 -0.000 0.000 0.310 336 R C 0.631 176.876 176.300 -0.092 0.000 0.968 336 R CA -0.515 55.413 56.100 -0.286 0.000 0.867 336 R CB 0.867 31.000 30.300 -0.277 0.000 1.124 336 R HN 0.428 nan 8.270 nan 0.000 0.450 337 I N 1.107 121.603 120.570 -0.123 0.000 2.277 337 I HA -0.031 4.139 4.170 -0.000 0.000 0.243 337 I C 1.086 177.183 176.117 -0.034 0.000 1.094 337 I CA 0.854 62.094 61.300 -0.101 0.000 1.393 337 I CB -0.524 37.409 38.000 -0.111 0.000 1.078 337 I HN 0.595 nan 8.210 nan 0.000 0.417 338 E N 1.483 121.670 120.200 -0.022 0.000 2.422 338 E HA 0.207 4.556 4.350 -0.000 0.000 0.260 338 E C 0.387 177.012 176.600 0.042 0.000 1.108 338 E CA 0.086 56.495 56.400 0.014 0.000 0.943 338 E CB 0.517 30.228 29.700 0.018 0.000 0.961 338 E HN 0.311 nan 8.360 nan 0.000 0.443 339 G N 2.052 110.891 108.800 0.066 0.000 2.594 339 G HA2 0.234 4.194 3.960 -0.000 0.000 0.243 339 G HA3 0.234 4.194 3.960 -0.000 0.000 0.243 339 G C -0.486 174.489 174.900 0.125 0.000 1.229 339 G CA -0.642 44.517 45.100 0.098 0.000 0.843 339 G HN 0.242 nan 8.290 nan 0.000 0.578 340 L N 0.167 121.493 121.223 0.171 0.000 2.439 340 L HA 0.498 4.838 4.340 -0.000 0.000 0.259 340 L C 1.355 178.361 176.870 0.226 0.000 1.129 340 L CA -0.273 54.720 54.840 0.255 0.000 0.803 340 L CB 1.240 43.500 42.059 0.335 0.000 1.161 340 L HN 0.743 nan 8.230 nan 0.000 0.462 341 T N -1.176 113.539 114.554 0.269 0.000 2.780 341 T HA 0.261 4.611 4.350 -0.000 0.000 0.263 341 T C 0.802 175.507 174.700 0.007 0.000 0.993 341 T CA -0.451 61.711 62.100 0.105 0.000 1.010 341 T CB 0.459 69.369 68.868 0.069 0.000 1.642 341 T HN 0.388 nan 8.240 nan 0.000 0.587 342 N N 0.083 118.753 118.700 -0.050 0.000 2.405 342 N HA 0.039 4.779 4.740 -0.000 0.000 0.175 342 N C 0.538 175.924 175.510 -0.205 0.000 1.051 342 N CA 0.108 53.099 53.050 -0.099 0.000 0.899 342 N CB -0.274 38.172 38.487 -0.067 0.000 1.000 342 N HN 0.636 nan 8.380 nan 0.000 0.451 343 E N 0.051 120.105 120.200 -0.244 0.000 2.516 343 E HA -0.081 4.269 4.350 -0.000 0.000 0.270 343 E C -0.499 175.650 176.600 -0.752 0.000 1.130 343 E CA 0.579 56.745 56.400 -0.390 0.000 1.023 343 E CB 0.414 29.928 29.700 -0.310 0.000 1.004 343 E HN 0.323 nan 8.360 nan 0.000 0.463 344 T N 0.793 114.914 114.554 -0.721 0.000 2.794 344 T HA 0.460 4.810 4.350 -0.000 0.000 0.280 344 T C -0.774 173.334 174.700 -0.987 0.000 0.987 344 T CA -0.697 60.874 62.100 -0.882 0.000 0.993 344 T CB 0.368 68.944 68.868 -0.488 0.000 0.939 344 T HN 0.308 nan 8.240 nan 0.000 0.449 345 Y N 0.921 120.666 120.300 -0.924 0.000 2.534 345 Y HA 0.719 5.268 4.550 -0.000 0.000 0.329 345 Y C 0.949 176.286 175.900 -0.940 0.000 1.154 345 Y CA -1.598 55.919 58.100 -0.970 0.000 1.192 345 Y CB 1.618 39.289 38.460 -1.316 0.000 1.275 345 Y HN 0.503 nan 8.280 nan 0.000 0.491 346 R N 1.236 121.568 120.500 -0.279 0.000 2.686 346 R HA 0.653 4.993 4.340 -0.000 0.000 0.286 346 R C -2.046 174.370 176.300 0.193 0.000 0.969 346 R CA -1.154 54.969 56.100 0.040 0.000 0.898 346 R CB 2.252 32.558 30.300 0.010 0.000 1.183 346 R HN 0.434 nan 8.270 nan 0.000 0.456 347 L N 1.048 122.420 121.223 0.249 0.000 2.349 347 L HA 0.472 4.812 4.340 -0.000 0.000 0.278 347 L C -0.044 176.840 176.870 0.023 0.000 0.996 347 L CA -0.057 54.866 54.840 0.139 0.000 0.825 347 L CB 1.896 44.002 42.059 0.080 0.000 1.243 347 L HN 0.863 nan 8.230 nan 0.000 0.412 348 G N 5.387 114.213 108.800 0.044 0.000 2.865 348 G HA2 0.440 4.400 3.960 -0.000 0.000 0.292 348 G HA3 0.440 4.400 3.960 -0.000 0.000 0.292 348 G C -0.462 174.445 174.900 0.010 0.000 0.800 348 G CA -0.234 44.872 45.100 0.010 0.000 1.838 348 G HN 0.429 nan 8.290 nan 0.000 0.535 349 V N 1.983 121.894 119.914 -0.005 0.000 2.509 349 V HA 0.254 4.374 4.120 -0.000 0.000 0.284 349 V C 0.423 176.549 176.094 0.054 0.000 1.047 349 V CA -0.757 61.567 62.300 0.040 0.000 0.952 349 V CB 1.557 33.426 31.823 0.077 0.000 0.988 349 V HN 0.685 nan 8.190 nan 0.000 0.469 350 Q N 3.586 123.424 119.800 0.063 0.000 2.312 350 Q HA 0.622 4.962 4.340 -0.000 0.000 0.236 350 Q C -0.422 175.641 176.000 0.105 0.000 0.965 350 Q CA -0.258 55.573 55.803 0.047 0.000 0.894 350 Q CB 1.355 30.100 28.738 0.012 0.000 1.225 350 Q HN 0.801 nan 8.270 nan 0.000 0.478 351 M N 0.758 120.404 119.600 0.077 0.000 2.393 351 M HA 0.458 4.937 4.480 -0.000 0.000 0.299 351 M C -1.358 174.995 176.300 0.089 0.000 1.103 351 M CA -0.831 54.563 55.300 0.157 0.000 0.910 351 M CB 1.708 34.390 32.600 0.137 0.000 1.659 351 M HN 0.608 nan 8.290 nan 0.000 0.445 352 H N 2.910 122.025 119.070 0.075 0.000 2.897 352 H HA 0.257 4.812 4.556 -0.000 0.000 0.347 352 H C -2.118 173.229 175.328 0.032 0.000 1.068 352 H CA -0.077 55.994 56.048 0.038 0.000 1.426 352 H CB 0.258 30.034 29.762 0.023 0.000 1.410 352 H HN 0.425 nan 8.280 nan 0.000 0.597 353 P HA -0.193 nan 4.420 nan 0.000 0.257 353 P C 1.131 178.466 177.300 0.058 0.000 1.144 353 P CA 1.610 64.740 63.100 0.048 0.000 0.761 353 P CB 0.102 31.827 31.700 0.042 0.000 0.734 354 G N 2.931 111.749 108.800 0.029 0.000 4.430 354 G HA2 -0.447 3.513 3.960 -0.000 0.000 0.332 354 G HA3 -0.447 3.513 3.960 -0.000 0.000 0.332 354 G C 0.858 175.797 174.900 0.065 0.000 1.338 354 G CA 1.445 46.562 45.100 0.029 0.000 1.024 354 G HN 0.658 nan 8.290 nan 0.000 0.750 355 Q N -1.820 118.021 119.800 0.068 0.000 1.863 355 Q HA -0.263 4.077 4.340 -0.000 0.000 0.194 355 Q C 1.898 177.938 176.000 0.068 0.000 2.887 355 Q CA 5.575 61.422 55.803 0.073 0.000 0.316 355 Q CB -1.422 27.407 28.738 0.153 0.000 0.508 355 Q HN 2.797 nan 8.270 nan 0.000 0.415 356 E N -1.840 118.456 120.200 0.160 0.000 3.774 356 E HA -0.233 4.117 4.350 -0.000 0.000 0.192 356 E C 0.388 177.108 176.600 0.200 0.000 1.099 356 E CA 1.276 57.752 56.400 0.127 0.000 2.333 356 E CB -2.780 26.942 29.700 0.037 0.000 1.735 356 E HN 1.266 nan 8.360 nan 0.000 0.433 357 I N 1.655 122.249 120.570 0.040 0.000 3.114 357 I HA 0.390 4.559 4.170 -0.000 0.000 0.320 357 I C 0.389 176.428 176.117 -0.129 0.000 1.230 357 I CA 1.054 62.331 61.300 -0.039 0.000 1.440 357 I CB -0.450 37.490 38.000 -0.099 0.000 1.334 357 I HN 0.580 nan 8.210 nan 0.000 0.532 358 H N 4.155 123.093 119.070 -0.220 0.000 3.018 358 H HA 0.366 4.921 4.556 -0.000 0.000 0.334 358 H C -0.634 174.412 175.328 -0.471 0.000 0.983 358 H CA -0.617 55.191 56.048 -0.400 0.000 1.363 358 H CB 1.068 30.547 29.762 -0.473 0.000 1.668 358 H HN 0.563 nan 8.280 nan 0.000 0.513 359 N N 4.530 122.958 118.700 -0.454 0.000 2.589 359 N HA 0.150 4.890 4.740 -0.000 0.000 0.232 359 N C -1.228 174.098 175.510 -0.306 0.000 1.015 359 N CA -0.220 52.646 53.050 -0.307 0.000 0.931 359 N CB 0.137 38.477 38.487 -0.245 0.000 1.150 359 N HN 0.419 nan 8.380 nan 0.000 0.512 360 F N 1.088 121.030 119.950 -0.012 0.000 2.408 360 F HA 0.288 4.815 4.527 -0.000 0.000 0.344 360 F C 0.796 176.578 175.800 -0.031 0.000 1.112 360 F CA -0.434 57.564 58.000 -0.003 0.000 1.096 360 F CB 1.576 40.582 39.000 0.009 0.000 1.129 360 F HN 0.091 nan 8.300 nan 0.000 0.486 361 T N 5.408 120.106 114.554 0.240 0.000 2.892 361 T HA 0.304 4.654 4.350 -0.000 0.000 0.311 361 T C -1.100 173.655 174.700 0.090 0.000 1.033 361 T CA -0.438 61.724 62.100 0.104 0.000 0.991 361 T CB 0.864 69.742 68.868 0.017 0.000 0.981 361 T HN 0.205 nan 8.240 nan 0.000 0.457 362 L N 5.246 126.466 121.223 -0.005 0.000 2.265 362 L HA 0.593 4.933 4.340 -0.000 0.000 0.289 362 L C -0.007 176.837 176.870 -0.043 0.000 1.033 362 L CA -0.132 54.644 54.840 -0.107 0.000 0.814 362 L CB 0.660 42.536 42.059 -0.306 0.000 1.203 362 L HN 0.668 nan 8.230 nan 0.000 0.423 363 T N 1.957 116.505 114.554 -0.009 0.000 2.809 363 T HA 0.689 5.039 4.350 -0.000 0.000 0.296 363 T C 0.209 174.892 174.700 -0.029 0.000 1.015 363 T CA -0.555 61.549 62.100 0.007 0.000 0.954 363 T CB 1.140 70.026 68.868 0.030 0.000 0.950 363 T HN 0.792 nan 8.240 nan 0.000 0.450 364 G N 3.111 111.875 108.800 -0.061 0.000 2.320 364 G HA2 0.593 4.552 3.960 -0.000 0.000 0.300 364 G HA3 0.593 4.552 3.960 -0.000 0.000 0.300 364 G C -0.358 174.379 174.900 -0.273 0.000 1.126 364 G CA -0.935 43.942 45.100 -0.372 0.000 0.896 364 G HN 0.702 nan 8.290 nan 0.000 0.436 365 R N 0.959 121.283 120.500 -0.294 0.000 2.803 365 R HA 0.638 4.978 4.340 -0.000 0.000 0.276 365 R C -0.636 175.553 176.300 -0.185 0.000 0.978 365 R CA -1.012 54.983 56.100 -0.176 0.000 0.939 365 R CB 2.388 32.617 30.300 -0.119 0.000 1.179 365 R HN 0.719 nan 8.270 nan 0.000 0.472 366 N N 0.561 119.199 118.700 -0.104 0.000 2.864 366 N HA 0.119 4.859 4.740 -0.000 0.000 0.247 366 N C -2.807 172.685 175.510 -0.029 0.000 1.071 366 N CA -1.177 51.832 53.050 -0.069 0.000 1.056 366 N CB 1.834 40.282 38.487 -0.065 0.000 1.661 366 N HN 0.288 nan 8.380 nan 0.000 0.570 367 P HA 0.087 nan 4.420 nan 0.000 0.245 367 P C -0.487 176.819 177.300 0.010 0.000 1.670 367 P CA 0.337 63.436 63.100 -0.001 0.000 1.146 367 P CB 0.289 31.991 31.700 0.004 0.000 1.954 368 L N 0.067 121.294 121.223 0.007 0.000 2.459 368 L HA 0.412 4.752 4.340 -0.000 0.000 0.276 368 L C 0.636 177.513 176.870 0.012 0.000 1.104 368 L CA 0.981 55.830 54.840 0.014 0.000 1.393 368 L CB 0.052 42.124 42.059 0.022 0.000 2.603 368 L HN 0.346 nan 8.230 nan 0.000 0.550 369 G N -0.837 107.969 108.800 0.009 0.000 2.550 369 G HA2 0.550 4.510 3.960 -0.000 0.000 0.293 369 G HA3 0.550 4.510 3.960 -0.000 0.000 0.293 369 G C -1.854 173.044 174.900 -0.004 0.000 1.402 369 G CA -0.496 44.609 45.100 0.009 0.000 0.784 369 G HN -0.097 nan 8.290 nan 0.000 0.482 370 Q N -1.084 118.717 119.800 0.001 0.000 2.351 370 Q HA 0.752 5.092 4.340 -0.000 0.000 0.273 370 Q C -0.630 175.376 176.000 0.009 0.000 1.077 370 Q CA -0.941 54.857 55.803 -0.009 0.000 0.843 370 Q CB 2.582 31.316 28.738 -0.006 0.000 1.367 370 Q HN 0.967 nan 8.270 nan 0.000 0.449 371 A N 1.589 124.413 122.820 0.007 0.000 2.549 371 A HA 0.590 4.910 4.320 -0.000 0.000 0.297 371 A C -1.857 175.751 177.584 0.040 0.000 1.061 371 A CA -0.697 51.363 52.037 0.038 0.000 0.690 371 A CB 1.831 20.873 19.000 0.070 0.000 1.287 371 A HN 0.700 nan 8.150 nan 0.000 0.402 372 Q N 0.458 120.284 119.800 0.044 0.000 2.331 372 Q HA 0.674 5.014 4.340 -0.000 0.000 0.249 372 Q C -1.277 174.741 176.000 0.031 0.000 0.913 372 Q CA -0.495 55.327 55.803 0.032 0.000 0.874 372 Q CB 1.662 30.413 28.738 0.021 0.000 1.384 372 Q HN 0.608 nan 8.270 nan 0.000 0.427 373 S N 1.236 116.951 115.700 0.025 0.000 2.536 373 S HA 0.936 5.405 4.470 -0.000 0.000 0.298 373 S C -1.186 173.426 174.600 0.020 0.000 1.083 373 S CA -0.095 58.120 58.200 0.025 0.000 0.995 373 S CB 1.678 64.901 63.200 0.038 0.000 1.058 373 S HN 0.801 nan 8.310 nan 0.000 0.488 374 A N 2.240 125.078 122.820 0.031 0.000 2.356 374 A HA 0.900 5.220 4.320 -0.000 0.000 0.323 374 A C -0.685 176.938 177.584 0.064 0.000 1.119 374 A CA -0.668 51.397 52.037 0.046 0.000 0.790 374 A CB 1.223 20.236 19.000 0.021 0.000 1.273 374 A HN 1.314 nan 8.150 nan 0.000 0.452 375 V N -1.141 118.838 119.914 0.109 0.000 3.078 375 V HA 0.886 5.006 4.120 -0.000 0.000 0.311 375 V C -0.527 175.629 176.094 0.103 0.000 1.138 375 V CA -0.827 61.539 62.300 0.109 0.000 1.007 375 V CB 1.295 33.196 31.823 0.130 0.000 1.045 375 V HN 1.403 nan 8.190 nan 0.000 0.432 376 V N 0.047 119.996 119.914 0.059 0.000 2.525 376 V HA 0.788 4.908 4.120 -0.000 0.000 0.299 376 V C -0.749 175.350 176.094 0.009 0.000 1.034 376 V CA -0.431 61.874 62.300 0.008 0.000 0.863 376 V CB 1.200 33.014 31.823 -0.015 0.000 0.999 376 V HN 0.842 nan 8.190 nan 0.000 0.423 377 I N 3.674 124.239 120.570 -0.007 0.000 2.499 377 I HA 0.445 4.615 4.170 -0.000 0.000 0.288 377 I C -0.393 175.695 176.117 -0.048 0.000 1.048 377 I CA -0.442 60.838 61.300 -0.033 0.000 1.062 377 I CB 2.339 40.332 38.000 -0.011 0.000 1.238 377 I HN 0.703 nan 8.210 nan 0.000 0.426 378 N N 6.171 124.829 118.700 -0.070 0.000 2.807 378 N HA 0.098 4.838 4.740 -0.000 0.000 0.259 378 N C 1.008 176.455 175.510 -0.105 0.000 1.149 378 N CA 0.057 53.074 53.050 -0.055 0.000 1.042 378 N CB 0.612 39.081 38.487 -0.031 0.000 1.367 378 N HN 0.454 nan 8.380 nan 0.000 0.516 379 V N 1.945 121.785 119.914 -0.122 0.000 2.251 379 V HA -0.413 3.707 4.120 -0.000 0.000 0.259 379 V C 2.451 178.447 176.094 -0.164 0.000 1.078 379 V CA 2.785 64.968 62.300 -0.196 0.000 1.072 379 V CB -1.614 30.066 31.823 -0.239 0.000 0.681 379 V HN 0.830 nan 8.190 nan 0.000 0.454 380 T N -2.292 112.207 114.554 -0.091 0.000 3.118 380 T HA -0.198 4.152 4.350 -0.000 0.000 0.269 380 T C 1.348 176.023 174.700 -0.041 0.000 1.166 380 T CA 1.784 63.854 62.100 -0.050 0.000 1.073 380 T CB -0.414 68.448 68.868 -0.011 0.000 0.884 380 T HN 0.699 nan 8.240 nan 0.000 0.550 381 E N -0.457 119.691 120.200 -0.087 0.000 2.481 381 E HA 0.269 4.619 4.350 -0.000 0.000 0.198 381 E C 1.978 178.461 176.600 -0.195 0.000 1.027 381 E CA -0.219 56.148 56.400 -0.054 0.000 0.900 381 E CB 0.284 29.966 29.700 -0.029 0.000 0.993 381 E HN 0.361 nan 8.360 nan 0.000 0.482 382 R N -0.661 119.614 120.500 -0.376 0.000 2.453 382 R HA 0.108 4.448 4.340 -0.000 0.000 0.233 382 R C -0.176 175.875 176.300 -0.414 0.000 0.895 382 R CA 0.391 56.000 56.100 -0.818 0.000 1.028 382 R CB 0.951 30.654 30.300 -0.995 0.000 1.255 382 R HN 0.004 nan 8.270 nan 0.000 0.571 383 V N 0.857 120.670 119.914 -0.168 0.000 3.145 383 V HA -0.130 3.990 4.120 -0.000 0.000 0.276 383 V C 0.109 176.210 176.094 0.012 0.000 1.055 383 V CA 0.779 63.071 62.300 -0.014 0.000 1.199 383 V CB -1.044 30.820 31.823 0.069 0.000 0.758 383 V HN 0.210 nan 8.190 nan 0.000 0.418 384 A N 6.864 129.689 122.820 0.008 0.000 3.216 384 A HA 0.711 5.031 4.320 -0.000 0.000 0.321 384 A C -1.468 176.064 177.584 -0.086 0.000 1.042 384 A CA -1.275 50.753 52.037 -0.015 0.000 0.838 384 A CB 0.542 19.617 19.000 0.125 0.000 1.136 384 A HN 0.733 nan 8.150 nan 0.000 0.483 385 P HA 0.080 nan 4.420 nan 0.000 0.271 385 P C 0.104 177.424 177.300 0.033 0.000 1.244 385 P CA 0.151 63.293 63.100 0.071 0.000 0.793 385 P CB 0.519 32.310 31.700 0.152 0.000 0.984 386 H N -0.996 118.191 119.070 0.196 0.000 2.385 386 H HA 0.034 4.590 4.556 -0.000 0.000 0.377 386 H C 0.220 175.621 175.328 0.123 0.000 1.985 386 H CA 0.217 56.367 56.048 0.170 0.000 1.423 386 H CB -0.017 29.875 29.762 0.216 0.000 1.590 386 H HN 0.447 nan 8.280 nan 0.000 0.547 387 D N 1.051 121.619 120.400 0.280 0.000 2.198 387 D HA 0.216 4.856 4.640 -0.000 0.000 0.245 387 D C -2.448 173.958 176.300 0.176 0.000 1.079 387 D CA -1.999 52.099 54.000 0.164 0.000 0.854 387 D CB 0.656 41.530 40.800 0.124 0.000 1.148 387 D HN 0.192 nan 8.370 nan 0.000 0.456 388 P HA 0.200 nan 4.420 nan 0.000 0.269 388 P C -0.479 176.913 177.300 0.152 0.000 1.215 388 P CA -0.034 63.171 63.100 0.175 0.000 0.780 388 P CB 0.649 32.312 31.700 -0.062 0.000 0.898 389 T N -0.893 113.796 114.554 0.224 0.000 2.843 389 T HA 0.406 4.756 4.350 -0.000 0.000 0.302 389 T C -0.644 174.143 174.700 0.146 0.000 1.232 389 T CA -0.739 61.441 62.100 0.133 0.000 1.009 389 T CB 1.043 69.934 68.868 0.038 0.000 1.254 389 T HN 0.282 nan 8.240 nan 0.000 0.504 390 S N 0.640 116.385 115.700 0.075 0.000 3.711 390 S HA -0.131 4.339 4.470 -0.000 0.000 0.374 390 S C 0.214 174.856 174.600 0.071 0.000 0.969 390 S CA -0.115 58.117 58.200 0.055 0.000 1.198 390 S CB -1.988 61.223 63.200 0.018 0.000 0.903 390 S HN 0.628 nan 8.310 nan 0.000 0.493 391 L N -0.079 121.180 121.223 0.059 0.000 2.477 391 L HA 0.452 4.792 4.340 -0.000 0.000 0.272 391 L C 0.736 177.572 176.870 -0.056 0.000 1.157 391 L CA 0.324 55.144 54.840 -0.033 0.000 0.889 391 L CB -0.284 41.733 42.059 -0.070 0.000 1.158 391 L HN 0.474 nan 8.230 nan 0.000 0.473 392 K N 3.499 123.836 120.400 -0.105 0.000 2.164 392 K HA 0.729 5.049 4.320 -0.000 0.000 0.258 392 K C -0.782 175.716 176.600 -0.169 0.000 0.951 392 K CA -0.530 55.700 56.287 -0.094 0.000 0.844 392 K CB 2.236 34.704 32.500 -0.054 0.000 1.099 392 K HN 0.358 nan 8.250 nan 0.000 0.435 393 V N 1.503 121.314 119.914 -0.172 0.000 2.555 393 V HA 0.859 4.979 4.120 -0.000 0.000 0.302 393 V C -0.099 175.838 176.094 -0.263 0.000 1.038 393 V CA -0.651 61.510 62.300 -0.232 0.000 0.887 393 V CB 1.509 33.171 31.823 -0.268 0.000 0.991 393 V HN 1.138 nan 8.190 nan 0.000 0.434 394 K N 2.489 122.789 120.400 -0.167 0.000 2.397 394 K HA 0.558 4.877 4.320 -0.000 0.000 0.253 394 K C -0.563 176.009 176.600 -0.046 0.000 0.932 394 K CA -0.756 55.468 56.287 -0.105 0.000 0.795 394 K CB 1.191 33.637 32.500 -0.091 0.000 1.159 394 K HN 0.756 nan 8.250 nan 0.000 0.424 395 D N 1.896 122.301 120.400 0.008 0.000 2.382 395 D HA 0.320 4.960 4.640 -0.000 0.000 0.245 395 D C 0.916 177.230 176.300 0.023 0.000 1.120 395 D CA 0.155 54.189 54.000 0.058 0.000 0.890 395 D CB 1.115 41.973 40.800 0.097 0.000 1.201 395 D HN 0.604 nan 8.370 nan 0.000 0.433 396 I N -0.864 119.722 120.570 0.027 0.000 3.809 396 I HA 0.073 4.243 4.170 -0.000 0.000 0.245 396 I C 0.556 176.683 176.117 0.017 0.000 1.119 396 I CA -0.369 60.938 61.300 0.012 0.000 1.597 396 I CB -0.253 37.748 38.000 0.002 0.000 1.605 396 I HN 0.195 nan 8.210 nan 0.000 0.441 397 N N 1.159 119.873 118.700 0.023 0.000 2.879 397 N HA 0.263 5.003 4.740 -0.000 0.000 0.329 397 N C 0.605 176.138 175.510 0.039 0.000 1.337 397 N CA -0.214 52.852 53.050 0.026 0.000 0.844 397 N CB 0.117 38.616 38.487 0.020 0.000 1.236 397 N HN 0.041 nan 8.380 nan 0.000 0.601 398 S N -1.088 114.634 115.700 0.037 0.000 2.353 398 S HA -0.192 4.278 4.470 -0.000 0.000 0.222 398 S C 1.534 176.174 174.600 0.066 0.000 1.035 398 S CA 1.988 60.218 58.200 0.050 0.000 1.025 398 S CB -0.796 62.430 63.200 0.043 0.000 0.902 398 S HN 0.845 nan 8.310 nan 0.000 0.440 399 T N 1.480 116.064 114.554 0.051 0.000 3.169 399 T HA 0.349 4.698 4.350 -0.000 0.000 0.250 399 T C -0.081 174.635 174.700 0.028 0.000 1.111 399 T CA -0.038 62.089 62.100 0.045 0.000 1.010 399 T CB -0.338 68.554 68.868 0.039 0.000 0.984 399 T HN 0.100 nan 8.240 nan 0.000 0.537 400 V N 1.197 121.131 119.914 0.033 0.000 3.087 400 V HA 0.731 4.851 4.120 -0.000 0.000 0.306 400 V C -0.844 175.271 176.094 0.036 0.000 1.187 400 V CA -1.074 61.241 62.300 0.025 0.000 0.999 400 V CB 2.215 34.051 31.823 0.021 0.000 1.049 400 V HN 0.180 nan 8.190 nan 0.000 0.431 401 V N -0.692 119.238 119.914 0.027 0.000 3.049 401 V HA 0.693 4.813 4.120 -0.000 0.000 0.309 401 V C -0.425 175.672 176.094 0.005 0.000 1.148 401 V CA -0.576 61.737 62.300 0.022 0.000 0.990 401 V CB 1.929 33.770 31.823 0.030 0.000 1.039 401 V HN 0.774 nan 8.190 nan 0.000 0.430 402 T N 3.971 118.517 114.554 -0.013 0.000 2.832 402 T HA 0.491 4.841 4.350 -0.000 0.000 0.313 402 T C -0.878 173.829 174.700 0.012 0.000 1.035 402 T CA 0.161 62.257 62.100 -0.008 0.000 0.950 402 T CB -0.323 68.503 68.868 -0.070 0.000 0.984 402 T HN 0.588 nan 8.240 nan 0.000 0.486 403 F N 4.509 124.408 119.950 -0.085 0.000 2.410 403 F HA 0.599 5.126 4.527 -0.000 0.000 0.349 403 F C 0.217 176.134 175.800 0.194 0.000 1.117 403 F CA -0.431 57.537 58.000 -0.054 0.000 1.104 403 F CB 0.724 39.616 39.000 -0.180 0.000 1.122 403 F HN 0.478 nan 8.300 nan 0.000 0.483 404 S N 4.775 120.304 115.700 -0.284 0.000 2.537 404 S HA 0.732 5.202 4.470 -0.000 0.000 0.270 404 S C -1.335 173.243 174.600 -0.036 0.000 1.142 404 S CA -0.926 57.194 58.200 -0.134 0.000 0.870 404 S CB 1.227 64.459 63.200 0.053 0.000 1.112 404 S HN 0.923 nan 8.310 nan 0.000 0.466 405 W N 0.070 121.283 121.300 -0.145 0.000 3.305 405 W HA 0.807 5.467 4.660 -0.000 0.000 0.398 405 W C -1.854 174.721 176.519 0.094 0.000 1.077 405 W CA -1.484 55.832 57.345 -0.047 0.000 1.137 405 W CB 0.642 30.088 29.460 -0.024 0.000 1.501 405 W HN 0.847 nan 8.180 nan 0.000 0.612 406 Y N 2.163 122.607 120.300 0.241 0.000 2.362 406 Y HA 0.590 5.140 4.550 -0.000 0.000 0.326 406 Y C -1.952 174.133 175.900 0.308 0.000 1.083 406 Y CA -1.574 56.599 58.100 0.122 0.000 1.073 406 Y CB 1.500 39.986 38.460 0.042 0.000 1.211 406 Y HN 0.630 nan 8.280 nan 0.000 0.433 407 L N 9.467 131.105 121.223 0.692 0.000 2.372 407 L HA 0.701 5.041 4.340 -0.000 0.000 0.274 407 L C -2.888 174.346 176.870 0.607 0.000 0.988 407 L CA -2.540 52.698 54.840 0.662 0.000 0.833 407 L CB 1.496 43.891 42.059 0.560 0.000 1.236 407 L HN 0.385 nan 8.230 nan 0.000 0.410 408 P HA 0.479 nan 4.420 nan 0.000 0.265 408 P C -0.385 177.275 177.300 0.600 0.000 1.187 408 P CA 0.404 63.854 63.100 0.583 0.000 0.766 408 P CB 0.626 32.647 31.700 0.536 0.000 0.820 409 G N 1.590 110.618 108.800 0.381 0.000 2.435 409 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.603 409 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.603 409 G C -1.203 173.603 174.900 -0.156 0.000 1.496 409 G CA -0.928 44.188 45.100 0.027 0.000 0.896 409 G HN 0.480 nan 8.290 nan 0.000 0.657 410 N N 0.155 118.641 118.700 -0.357 0.000 2.399 410 N HA 0.448 5.188 4.740 -0.000 0.000 0.259 410 N C -0.053 175.206 175.510 -0.417 0.000 1.160 410 N CA -0.308 52.600 53.050 -0.237 0.000 0.946 410 N CB -0.160 38.227 38.487 -0.166 0.000 1.156 410 N HN 0.376 nan 8.380 nan 0.000 0.489 411 F N 0.668 120.653 119.950 0.060 0.000 2.814 411 F HA 0.164 4.691 4.527 -0.000 0.000 0.326 411 F C 1.602 177.433 175.800 0.051 0.000 1.159 411 F CA -0.303 57.730 58.000 0.055 0.000 1.234 411 F CB 0.592 39.638 39.000 0.076 0.000 1.016 411 F HN 0.329 nan 8.300 nan 0.000 0.510 412 T N -1.759 112.887 114.554 0.153 0.000 2.942 412 T HA -0.067 4.283 4.350 -0.000 0.000 0.265 412 T C 2.423 177.177 174.700 0.090 0.000 1.062 412 T CA 1.420 63.588 62.100 0.114 0.000 1.139 412 T CB -0.145 68.760 68.868 0.062 0.000 0.883 412 T HN 0.345 nan 8.240 nan 0.000 0.468 413 K N 0.572 121.015 120.400 0.071 0.000 2.103 413 K HA 0.257 4.577 4.320 -0.000 0.000 0.204 413 K C 1.084 177.730 176.600 0.077 0.000 1.052 413 K CA 0.572 56.893 56.287 0.057 0.000 0.945 413 K CB -0.607 31.913 32.500 0.033 0.000 0.722 413 K HN 0.355 nan 8.250 nan 0.000 0.443 414 I N 1.120 121.762 120.570 0.119 0.000 2.918 414 I HA 0.328 4.498 4.170 -0.000 0.000 0.316 414 I C -1.059 175.128 176.117 0.118 0.000 1.001 414 I CA -1.536 59.842 61.300 0.129 0.000 1.142 414 I CB 1.825 39.933 38.000 0.180 0.000 1.356 414 I HN 0.534 nan 8.210 nan 0.000 0.524 415 N N 4.568 123.311 118.700 0.072 0.000 2.249 415 N HA 0.539 5.279 4.740 -0.000 0.000 0.296 415 N C -1.544 173.954 175.510 -0.021 0.000 1.051 415 N CA -0.765 52.298 53.050 0.021 0.000 0.815 415 N CB 1.017 39.520 38.487 0.026 0.000 1.487 415 N HN 0.443 nan 8.380 nan 0.000 0.475 416 L N -0.783 120.376 121.223 -0.107 0.000 2.344 416 L HA 0.735 5.075 4.340 -0.000 0.000 0.272 416 L C -0.118 176.729 176.870 -0.038 0.000 1.035 416 L CA -1.342 53.421 54.840 -0.128 0.000 0.807 416 L CB 1.117 42.981 42.059 -0.325 0.000 1.237 416 L HN 0.619 nan 8.230 nan 0.000 0.442 417 L N 0.745 121.992 121.223 0.040 0.000 2.356 417 L HA 0.817 5.157 4.340 -0.000 0.000 0.277 417 L C -0.986 176.038 176.870 0.257 0.000 0.996 417 L CA -0.188 54.729 54.840 0.129 0.000 0.822 417 L CB 1.706 43.845 42.059 0.133 0.000 1.256 417 L HN 0.764 nan 8.230 nan 0.000 0.413 418 c N 2.301 121.025 118.600 0.206 0.000 2.595 418 c HA 0.624 5.194 4.570 -0.000 0.000 0.338 418 c C -0.164 173.951 174.090 0.042 0.000 1.219 418 c CA -0.456 55.959 56.329 0.143 0.000 1.811 418 c CB 2.000 44.597 42.510 0.146 0.000 2.313 418 c HN 0.864 nan 8.230 nan 0.000 0.499 419 Q N 0.611 120.326 119.800 -0.141 0.000 2.345 419 Q HA 0.677 5.017 4.340 -0.000 0.000 0.268 419 Q C -1.280 174.697 176.000 -0.038 0.000 1.054 419 Q CA -0.344 55.385 55.803 -0.123 0.000 0.835 419 Q CB 2.070 30.624 28.738 -0.307 0.000 1.339 419 Q HN 0.593 nan 8.270 nan 0.000 0.447 420 I N 1.718 122.291 120.570 0.005 0.000 2.466 420 I HA 0.165 4.335 4.170 -0.000 0.000 0.279 420 I C -0.343 175.763 176.117 -0.018 0.000 1.033 420 I CA -0.325 60.944 61.300 -0.053 0.000 1.123 420 I CB 1.509 39.408 38.000 -0.169 0.000 1.237 420 I HN 0.625 nan 8.210 nan 0.000 0.460 421 E N 7.456 127.645 120.200 -0.018 0.000 1.858 421 E HA 0.196 4.546 4.350 -0.000 0.000 0.267 421 E C -0.338 176.154 176.600 -0.181 0.000 1.215 421 E CA -0.393 55.917 56.400 -0.150 0.000 0.952 421 E CB 0.326 29.782 29.700 -0.408 0.000 1.058 421 E HN 0.533 nan 8.360 nan 0.000 0.407 422 I N 5.168 125.646 120.570 -0.153 0.000 2.357 422 I HA 0.011 4.181 4.170 -0.000 0.000 0.300 422 I C 0.068 176.055 176.117 -0.216 0.000 1.159 422 I CA -0.353 60.780 61.300 -0.278 0.000 1.339 422 I CB 0.096 38.013 38.000 -0.139 0.000 1.458 422 I HN 0.484 nan 8.210 nan 0.000 0.577 423 C N 7.775 126.913 119.300 -0.269 0.000 2.303 423 C HA 0.282 4.742 4.460 -0.000 0.000 0.341 423 C C 0.563 175.452 174.990 -0.168 0.000 1.244 423 C CA -0.485 58.419 59.018 -0.191 0.000 1.765 423 C CB -0.090 27.529 27.740 -0.202 0.000 2.379 423 C HN 0.720 nan 8.230 nan 0.000 0.530 424 K N 3.988 124.309 120.400 -0.133 0.000 2.168 424 K HA 0.695 5.015 4.320 -0.000 0.000 0.239 424 K C -0.160 176.310 176.600 -0.216 0.000 0.999 424 K CA -0.398 55.734 56.287 -0.258 0.000 0.900 424 K CB 1.452 33.780 32.500 -0.286 0.000 1.111 424 K HN 0.734 nan 8.250 nan 0.000 0.452 425 A N 2.317 124.985 122.820 -0.254 0.000 2.409 425 A HA 0.169 4.489 4.320 -0.000 0.000 0.267 425 A C 0.140 177.638 177.584 -0.143 0.000 1.127 425 A CA 0.183 52.110 52.037 -0.184 0.000 0.795 425 A CB -0.392 18.494 19.000 -0.191 0.000 1.061 425 A HN 0.952 nan 8.150 nan 0.000 0.502 426 N N 0.354 118.986 118.700 -0.113 0.000 2.758 426 N HA -0.159 4.581 4.740 -0.000 0.000 0.248 426 N C -0.459 175.002 175.510 -0.081 0.000 1.076 426 N CA 1.357 54.353 53.050 -0.090 0.000 0.696 426 N CB -1.159 37.278 38.487 -0.084 0.000 0.979 426 N HN 0.679 nan 8.380 nan 0.000 0.550 427 S N -1.497 114.153 115.700 -0.084 0.000 2.638 427 S HA 0.823 5.293 4.470 -0.000 0.000 0.274 427 S C -0.162 174.397 174.600 -0.068 0.000 1.157 427 S CA -0.309 57.850 58.200 -0.069 0.000 0.826 427 S CB 1.325 64.486 63.200 -0.066 0.000 1.139 427 S HN 0.516 nan 8.310 nan 0.000 0.474 428 K N 1.114 121.482 120.400 -0.054 0.000 2.380 428 K HA 0.263 4.582 4.320 -0.000 0.000 0.267 428 K C -0.306 176.255 176.600 -0.065 0.000 0.990 428 K CA 0.206 56.460 56.287 -0.055 0.000 0.946 428 K CB -0.504 31.971 32.500 -0.041 0.000 0.937 428 K HN 0.605 nan 8.250 nan 0.000 0.491 429 K N 2.332 122.685 120.400 -0.078 0.000 2.307 429 K HA 0.034 4.354 4.320 -0.000 0.000 0.285 429 K C -0.129 176.427 176.600 -0.073 0.000 1.073 429 K CA 0.014 56.242 56.287 -0.099 0.000 0.996 429 K CB 0.316 32.740 32.500 -0.126 0.000 0.994 429 K HN 0.717 nan 8.250 nan 0.000 0.452 430 E N 3.414 123.576 120.200 -0.064 0.000 2.166 430 E HA 0.044 4.394 4.350 -0.000 0.000 0.279 430 E C -1.142 175.432 176.600 -0.044 0.000 1.095 430 E CA -0.294 56.082 56.400 -0.040 0.000 0.888 430 E CB 1.011 30.699 29.700 -0.019 0.000 1.041 430 E HN 0.267 nan 8.360 nan 0.000 0.414 431 V N 5.976 125.875 119.914 -0.025 0.000 2.384 431 V HA 0.454 4.574 4.120 -0.000 0.000 0.287 431 V C -0.749 175.349 176.094 0.007 0.000 1.020 431 V CA -0.634 61.662 62.300 -0.006 0.000 0.850 431 V CB 1.420 33.248 31.823 0.009 0.000 0.987 431 V HN 0.649 nan 8.190 nan 0.000 0.436 432 R N 4.643 125.151 120.500 0.013 0.000 2.445 432 R HA 0.508 4.848 4.340 -0.000 0.000 0.308 432 R C -0.860 175.460 176.300 0.034 0.000 0.961 432 R CA -0.537 55.577 56.100 0.023 0.000 0.862 432 R CB 1.212 31.527 30.300 0.026 0.000 1.144 432 R HN 0.748 nan 8.270 nan 0.000 0.447 433 N N 1.487 120.214 118.700 0.045 0.000 2.707 433 N HA 0.339 5.079 4.740 -0.000 0.000 0.235 433 N C -1.572 173.985 175.510 0.078 0.000 1.028 433 N CA -0.108 52.981 53.050 0.065 0.000 0.906 433 N CB 1.850 40.377 38.487 0.068 0.000 1.131 433 N HN 0.596 nan 8.380 nan 0.000 0.509 434 A N 0.981 123.859 122.820 0.096 0.000 2.355 434 A HA 0.738 5.058 4.320 -0.000 0.000 0.324 434 A C -0.064 177.592 177.584 0.119 0.000 1.117 434 A CA -0.646 51.453 52.037 0.103 0.000 0.785 434 A CB 0.652 19.717 19.000 0.108 0.000 1.254 434 A HN 0.388 nan 8.150 nan 0.000 0.453 435 T N 0.160 114.770 114.554 0.095 0.000 2.875 435 T HA 0.690 5.040 4.350 -0.000 0.000 0.284 435 T C -0.260 174.483 174.700 0.071 0.000 0.995 435 T CA -0.248 61.899 62.100 0.079 0.000 1.060 435 T CB 0.623 69.526 68.868 0.059 0.000 0.967 435 T HN 0.470 nan 8.240 nan 0.000 0.476 436 I N -0.145 120.451 120.570 0.044 0.000 2.865 436 I HA 0.473 4.643 4.170 -0.000 0.000 0.302 436 I C 0.048 176.170 176.117 0.009 0.000 1.140 436 I CA -1.301 60.020 61.300 0.034 0.000 1.021 436 I CB 1.651 39.677 38.000 0.044 0.000 1.233 436 I HN 0.433 nan 8.210 nan 0.000 0.427 437 R N 1.959 122.487 120.500 0.047 0.000 2.401 437 R HA 0.530 4.870 4.340 -0.000 0.000 0.299 437 R C 0.251 176.623 176.300 0.120 0.000 1.064 437 R CA -0.206 55.932 56.100 0.063 0.000 1.000 437 R CB 0.674 31.015 30.300 0.067 0.000 0.973 437 R HN 0.973 nan 8.270 nan 0.000 0.438 438 G N 0.852 109.719 108.800 0.113 0.000 2.522 438 G HA2 0.657 4.617 3.960 -0.000 0.000 0.304 438 G HA3 0.657 4.617 3.960 -0.000 0.000 0.304 438 G C -0.814 174.274 174.900 0.314 0.000 1.210 438 G CA -0.021 45.221 45.100 0.236 0.000 0.960 438 G HN 0.699 nan 8.290 nan 0.000 0.497 439 A N -0.779 122.286 122.820 0.409 0.000 2.809 439 A HA 0.670 4.990 4.320 -0.000 0.000 0.310 439 A C -0.759 176.945 177.584 0.200 0.000 1.138 439 A CA -0.554 51.611 52.037 0.213 0.000 0.610 439 A CB 0.222 19.262 19.000 0.067 0.000 1.432 439 A HN 0.610 nan 8.150 nan 0.000 0.597 440 E N 1.532 121.764 120.200 0.055 0.000 2.029 440 E HA 0.289 4.638 4.350 -0.000 0.000 0.276 440 E C -0.917 175.656 176.600 -0.044 0.000 1.163 440 E CA -0.011 56.398 56.400 0.015 0.000 0.909 440 E CB -0.206 29.484 29.700 -0.017 0.000 1.046 440 E HN 0.414 nan 8.360 nan 0.000 0.406 441 D N 2.325 122.734 120.400 0.015 0.000 2.740 441 D HA -0.194 4.446 4.640 -0.000 0.000 0.231 441 D C -1.009 175.017 176.300 -0.457 0.000 1.194 441 D CA 0.908 54.856 54.000 -0.088 0.000 0.673 441 D CB -0.775 40.003 40.800 -0.037 0.000 0.995 441 D HN 0.197 nan 8.370 nan 0.000 0.411 442 S N -0.828 114.591 115.700 -0.469 0.000 2.568 442 S HA 0.547 5.017 4.470 -0.000 0.000 0.293 442 S C -0.035 173.951 174.600 -1.022 0.000 1.089 442 S CA -0.473 57.281 58.200 -0.744 0.000 0.945 442 S CB 1.502 64.341 63.200 -0.603 0.000 1.077 442 S HN 0.183 nan 8.310 nan 0.000 0.485 443 T N 2.484 116.515 114.554 -0.871 0.000 2.940 443 T HA 0.315 4.665 4.350 -0.000 0.000 0.309 443 T C -0.878 173.038 174.700 -1.306 0.000 1.056 443 T CA 0.268 61.888 62.100 -0.799 0.000 1.137 443 T CB -0.251 68.316 68.868 -0.502 0.000 0.976 443 T HN 0.471 nan 8.240 nan 0.000 0.547 444 Y N 0.208 119.911 120.300 -0.996 0.000 2.429 444 Y HA 0.450 5.000 4.550 -0.000 0.000 0.342 444 Y C 0.504 175.686 175.900 -1.197 0.000 1.004 444 Y CA -1.164 56.277 58.100 -1.099 0.000 1.075 444 Y CB 1.647 39.546 38.460 -0.935 0.000 1.214 444 Y HN 0.647 nan 8.280 nan 0.000 0.455 445 H N 1.778 120.617 119.070 -0.384 0.000 2.505 445 H HA 0.607 5.163 4.556 -0.000 0.000 0.338 445 H C -1.174 174.106 175.328 -0.079 0.000 1.057 445 H CA -0.857 55.043 56.048 -0.248 0.000 1.202 445 H CB 1.856 31.526 29.762 -0.153 0.000 1.466 445 H HN 0.392 nan 8.280 nan 0.000 0.499 446 V N 2.064 122.091 119.914 0.188 0.000 2.531 446 V HA 0.464 4.584 4.120 -0.000 0.000 0.301 446 V C 0.183 176.387 176.094 0.184 0.000 1.034 446 V CA -1.035 61.413 62.300 0.246 0.000 0.865 446 V CB 1.756 33.837 31.823 0.430 0.000 0.995 446 V HN 0.948 nan 8.190 nan 0.000 0.424 447 A N 4.920 127.810 122.820 0.118 0.000 2.404 447 A HA 0.638 4.958 4.320 -0.000 0.000 0.273 447 A C -0.416 177.214 177.584 0.076 0.000 1.144 447 A CA -0.091 51.991 52.037 0.075 0.000 0.806 447 A CB 0.338 19.368 19.000 0.051 0.000 1.080 447 A HN 0.708 nan 8.150 nan 0.000 0.509 448 V N 4.970 124.917 119.914 0.054 0.000 2.487 448 V HA 0.448 4.568 4.120 -0.000 0.000 0.298 448 V C -0.602 175.506 176.094 0.023 0.000 1.028 448 V CA -0.579 61.743 62.300 0.037 0.000 0.860 448 V CB 1.632 33.460 31.823 0.010 0.000 0.991 448 V HN 1.098 nan 8.190 nan 0.000 0.427 449 D N 3.245 123.656 120.400 0.020 0.000 2.727 449 D HA 0.376 5.016 4.640 -0.000 0.000 0.264 449 D C -0.319 175.984 176.300 0.004 0.000 1.101 449 D CA -1.015 52.993 54.000 0.013 0.000 1.122 449 D CB 1.122 41.934 40.800 0.020 0.000 1.390 449 D HN 0.335 nan 8.370 nan 0.000 0.606 450 K N -0.598 119.808 120.400 0.011 0.000 3.148 450 K HA -0.127 4.193 4.320 -0.000 0.000 0.267 450 K C -0.377 176.229 176.600 0.010 0.000 0.996 450 K CA 0.165 56.462 56.287 0.016 0.000 0.737 450 K CB -0.960 31.552 32.500 0.018 0.000 1.308 450 K HN 0.319 nan 8.250 nan 0.000 0.470 451 L N 0.169 121.390 121.223 -0.004 0.000 2.544 451 L HA 0.352 4.692 4.340 -0.000 0.000 0.256 451 L C 0.458 177.384 176.870 0.093 0.000 1.097 451 L CA -0.231 54.592 54.840 -0.029 0.000 0.812 451 L CB 1.130 43.096 42.059 -0.154 0.000 1.440 451 L HN 0.149 nan 8.230 nan 0.000 0.496 452 N N 0.296 119.135 118.700 0.231 0.000 2.372 452 N HA 0.392 5.132 4.740 -0.000 0.000 0.285 452 N C -2.595 173.074 175.510 0.265 0.000 1.008 452 N CA -1.189 52.005 53.050 0.240 0.000 0.880 452 N CB 1.371 39.994 38.487 0.227 0.000 1.239 452 N HN 0.265 nan 8.380 nan 0.000 0.484 453 P HA 0.044 nan 4.420 nan 0.000 0.276 453 P C -0.853 176.607 177.300 0.267 0.000 1.243 453 P CA 0.261 63.472 63.100 0.186 0.000 0.768 453 P CB 0.135 31.907 31.700 0.121 0.000 0.856 454 Y N 1.099 121.450 120.300 0.084 0.000 3.081 454 Y HA -0.197 4.353 4.550 -0.000 0.000 0.167 454 Y C -0.815 175.095 175.900 0.016 0.000 1.809 454 Y CA 0.585 58.709 58.100 0.039 0.000 1.121 454 Y CB -2.238 36.233 38.460 0.019 0.000 1.518 454 Y HN 0.421 nan 8.280 nan 0.000 0.409 455 T N -1.044 113.601 114.554 0.151 0.000 2.864 455 T HA 0.813 5.163 4.350 -0.000 0.000 0.299 455 T C 0.154 174.703 174.700 -0.251 0.000 1.166 455 T CA -0.461 61.567 62.100 -0.120 0.000 1.007 455 T CB 1.895 70.644 68.868 -0.198 0.000 1.219 455 T HN 0.701 nan 8.240 nan 0.000 0.506 456 A N 1.224 123.788 122.820 -0.428 0.000 3.063 456 A HA 0.502 4.822 4.320 -0.000 0.000 0.263 456 A C -0.550 176.786 177.584 -0.414 0.000 1.736 456 A CA -0.391 51.450 52.037 -0.326 0.000 1.408 456 A CB -1.294 17.554 19.000 -0.253 0.000 1.108 456 A HN 0.686 nan 8.150 nan 0.000 0.621 457 Y N 0.100 120.361 120.300 -0.065 0.000 2.300 457 Y HA 0.444 4.994 4.550 -0.000 0.000 0.328 457 Y C 1.006 176.792 175.900 -0.190 0.000 1.270 457 Y CA 0.474 58.474 58.100 -0.167 0.000 1.352 457 Y CB 1.323 39.700 38.460 -0.138 0.000 1.286 457 Y HN 0.347 nan 8.280 nan 0.000 0.536 458 T N 2.952 117.353 114.554 -0.256 0.000 3.071 458 T HA 0.461 4.811 4.350 -0.000 0.000 0.311 458 T C -1.375 173.062 174.700 -0.437 0.000 1.042 458 T CA -0.808 61.177 62.100 -0.192 0.000 1.028 458 T CB 0.418 69.209 68.868 -0.129 0.000 1.068 458 T HN 0.251 nan 8.240 nan 0.000 0.451 459 F N 1.970 121.986 119.950 0.111 0.000 2.538 459 F HA 0.721 5.248 4.527 -0.000 0.000 0.325 459 F C 0.738 176.576 175.800 0.064 0.000 1.066 459 F CA -1.126 56.893 58.000 0.030 0.000 0.946 459 F CB 1.715 40.760 39.000 0.075 0.000 1.199 459 F HN 0.120 nan 8.300 nan 0.000 0.473 460 R N 1.498 122.095 120.500 0.162 0.000 2.621 460 R HA 0.692 5.032 4.340 -0.000 0.000 0.284 460 R C -1.759 174.719 176.300 0.298 0.000 0.998 460 R CA -0.923 55.283 56.100 0.177 0.000 0.895 460 R CB 2.556 32.754 30.300 -0.170 0.000 1.195 460 R HN 0.463 nan 8.270 nan 0.000 0.450 461 V N 2.670 122.773 119.914 0.315 0.000 2.715 461 V HA 0.597 4.716 4.120 -0.000 0.000 0.310 461 V C -0.398 175.621 176.094 -0.125 0.000 1.054 461 V CA -0.700 61.601 62.300 0.001 0.000 0.928 461 V CB 2.104 33.643 31.823 -0.473 0.000 1.007 461 V HN 0.634 nan 8.190 nan 0.000 0.437 462 R N 3.629 123.857 120.500 -0.452 0.000 2.585 462 R HA 0.469 4.809 4.340 -0.000 0.000 0.288 462 R C -1.970 174.057 176.300 -0.455 0.000 1.194 462 R CA -0.282 55.343 56.100 -0.791 0.000 1.006 462 R CB 1.275 30.317 30.300 -2.096 0.000 1.229 462 R HN 0.749 nan 8.270 nan 0.000 0.412 463 c N 1.446 119.993 118.600 -0.087 0.000 2.529 463 c HA 0.886 5.456 4.570 -0.000 0.000 0.329 463 c C -0.086 174.240 174.090 0.392 0.000 1.194 463 c CA -0.368 56.075 56.329 0.189 0.000 1.779 463 c CB 1.939 44.474 42.510 0.042 0.000 2.322 463 c HN 0.871 nan 8.230 nan 0.000 0.500 464 S N 0.259 116.100 115.700 0.235 0.000 2.636 464 S HA 0.620 5.090 4.470 -0.000 0.000 0.268 464 S C -0.715 173.830 174.600 -0.093 0.000 1.159 464 S CA -0.147 58.012 58.200 -0.068 0.000 0.815 464 S CB 1.225 64.164 63.200 -0.435 0.000 1.130 464 S HN 1.291 nan 8.310 nan 0.000 0.471 465 S N 1.340 116.986 115.700 -0.090 0.000 2.592 465 S HA 0.349 4.819 4.470 -0.000 0.000 0.271 465 S C 0.820 175.419 174.600 -0.003 0.000 1.326 465 S CA -0.035 58.148 58.200 -0.029 0.000 1.024 465 S CB 1.055 64.277 63.200 0.036 0.000 0.921 465 S HN 0.768 nan 8.310 nan 0.000 0.527 466 K N 1.249 121.657 120.400 0.014 0.000 2.442 466 K HA -0.044 4.276 4.320 -0.000 0.000 0.198 466 K C 1.803 178.431 176.600 0.047 0.000 1.044 466 K CA 1.843 58.145 56.287 0.025 0.000 0.948 466 K CB -0.747 31.769 32.500 0.026 0.000 0.762 466 K HN 0.881 nan 8.250 nan 0.000 0.472 467 T N -2.776 111.818 114.554 0.067 0.000 3.037 467 T HA 0.090 4.440 4.350 -0.000 0.000 0.252 467 T C 0.451 175.262 174.700 0.184 0.000 1.073 467 T CA -0.102 62.056 62.100 0.096 0.000 1.091 467 T CB -0.719 68.194 68.868 0.076 0.000 0.935 467 T HN 0.241 nan 8.240 nan 0.000 0.488 468 F N 0.271 120.177 119.950 -0.073 0.000 2.057 468 F HA -0.255 4.272 4.527 -0.000 0.000 0.415 468 F C 0.261 176.068 175.800 0.011 0.000 1.176 468 F CA -0.338 57.574 58.000 -0.146 0.000 1.347 468 F CB -0.544 38.274 39.000 -0.302 0.000 2.135 468 F HN 0.325 nan 8.300 nan 0.000 0.730 469 W N 6.283 126.901 121.300 -1.136 0.000 3.033 469 W HA 0.316 4.976 4.660 -0.000 0.000 0.250 469 W C -0.083 175.496 176.519 -1.566 0.000 1.105 469 W CA 0.784 57.529 57.345 -0.999 0.000 1.655 469 W CB 0.378 29.542 29.460 -0.494 0.000 1.001 469 W HN 0.581 nan 8.180 nan 0.000 0.653 470 K N -0.415 119.030 120.400 -1.592 0.000 2.622 470 K HA 0.103 4.423 4.320 -0.000 0.000 0.273 470 K C -1.701 174.562 176.600 -0.561 0.000 0.957 470 K CA -0.643 55.051 56.287 -0.988 0.000 0.861 470 K CB 0.673 32.832 32.500 -0.568 0.000 1.405 470 K HN -0.100 nan 8.250 nan 0.000 0.406 471 W N 2.313 123.524 121.300 -0.148 0.000 2.150 471 W HA 0.133 4.793 4.660 -0.000 0.000 0.341 471 W C 1.062 177.486 176.519 -0.159 0.000 1.276 471 W CA -0.163 57.115 57.345 -0.111 0.000 1.238 471 W CB 0.880 30.266 29.460 -0.124 0.000 1.128 471 W HN 0.575 nan 8.180 nan 0.000 0.581 472 S N 2.044 117.865 115.700 0.201 0.000 2.598 472 S HA 0.260 4.730 4.470 -0.000 0.000 0.256 472 S C 0.429 175.018 174.600 -0.020 0.000 1.350 472 S CA -0.478 57.753 58.200 0.051 0.000 0.984 472 S CB 0.503 63.713 63.200 0.016 0.000 0.930 472 S HN 0.517 nan 8.310 nan 0.000 0.577 473 R N -0.804 119.694 120.500 -0.003 0.000 2.822 473 R HA 0.155 4.495 4.340 -0.000 0.000 0.277 473 R C -0.375 175.885 176.300 -0.066 0.000 1.102 473 R CA -0.153 55.948 56.100 0.001 0.000 1.207 473 R CB 0.273 30.615 30.300 0.070 0.000 1.139 473 R HN 0.694 nan 8.270 nan 0.000 0.557 474 W N 0.742 122.033 121.300 -0.015 0.000 2.261 474 W HA 0.040 4.700 4.660 -0.000 0.000 0.323 474 W C 1.070 177.572 176.519 -0.027 0.000 1.243 474 W CA -0.270 57.044 57.345 -0.051 0.000 1.210 474 W CB 0.918 30.340 29.460 -0.064 0.000 1.149 474 W HN 0.657 nan 8.180 nan 0.000 0.562 475 S N 1.447 117.381 115.700 0.391 0.000 2.700 475 S HA -0.036 4.433 4.470 -0.000 0.000 0.250 475 S C 0.314 175.021 174.600 0.178 0.000 1.355 475 S CA 0.177 58.504 58.200 0.211 0.000 0.970 475 S CB 0.257 63.572 63.200 0.192 0.000 0.975 475 S HN 0.538 nan 8.310 nan 0.000 0.563 476 D N 0.427 120.910 120.400 0.138 0.000 2.311 476 D HA 0.370 5.010 4.640 -0.000 0.000 0.278 476 D C -0.305 176.062 176.300 0.111 0.000 1.189 476 D CA -0.065 54.000 54.000 0.109 0.000 1.117 476 D CB 0.147 41.000 40.800 0.088 0.000 1.168 476 D HN 0.678 nan 8.370 nan 0.000 0.509 477 E N -0.433 119.833 120.200 0.109 0.000 2.244 477 E HA 0.417 4.767 4.350 -0.000 0.000 0.260 477 E C 0.000 176.707 176.600 0.178 0.000 0.884 477 E CA -0.343 56.127 56.400 0.116 0.000 0.777 477 E CB 1.902 31.640 29.700 0.062 0.000 1.197 477 E HN 0.298 nan 8.360 nan 0.000 0.416 478 K N 2.921 123.492 120.400 0.284 0.000 2.166 478 K HA -0.010 4.310 4.320 -0.000 0.000 0.201 478 K C 0.871 177.688 176.600 0.362 0.000 1.052 478 K CA 1.202 57.717 56.287 0.379 0.000 0.969 478 K CB -0.610 32.296 32.500 0.677 0.000 0.761 478 K HN 0.722 nan 8.250 nan 0.000 0.459 479 R N 0.652 121.354 120.500 0.337 0.000 2.032 479 R HA -0.217 4.123 4.340 -0.000 0.000 0.322 479 R C -0.515 176.007 176.300 0.370 0.000 1.173 479 R CA 1.121 57.379 56.100 0.263 0.000 1.133 479 R CB -2.465 27.918 30.300 0.138 0.000 3.148 479 R HN 0.761 nan 8.270 nan 0.000 0.502 480 H N 3.340 122.583 119.070 0.289 0.000 2.985 480 H HA 0.563 5.119 4.556 -0.000 0.000 0.360 480 H C -0.340 175.157 175.328 0.282 0.000 1.221 480 H CA -0.630 55.591 56.048 0.288 0.000 1.121 480 H CB 1.470 31.453 29.762 0.369 0.000 1.854 480 H HN 0.489 nan 8.280 nan 0.000 0.551 481 L N 0.056 120.964 121.223 -0.525 0.000 2.544 481 L HA 0.672 5.012 4.340 -0.000 0.000 0.256 481 L C 0.281 177.065 176.870 -0.144 0.000 1.097 481 L CA -0.574 54.150 54.840 -0.193 0.000 0.812 481 L CB 1.147 43.159 42.059 -0.078 0.000 1.440 481 L HN 0.695 nan 8.230 nan 0.000 0.496 482 T N -2.963 111.678 114.554 0.145 0.000 2.765 482 T HA 0.607 4.957 4.350 -0.000 0.000 0.251 482 T C -0.018 174.743 174.700 0.100 0.000 1.027 482 T CA -0.178 62.032 62.100 0.184 0.000 1.030 482 T CB 1.226 70.255 68.868 0.268 0.000 1.935 482 T HN 0.854 nan 8.240 nan 0.000 0.563 483 T N -1.066 113.530 114.554 0.070 0.000 2.762 483 T HA 0.484 4.834 4.350 -0.000 0.000 0.301 483 T C -1.476 173.187 174.700 -0.063 0.000 1.299 483 T CA -0.669 61.407 62.100 -0.040 0.000 1.005 483 T CB 1.899 70.774 68.868 0.011 0.000 1.377 483 T HN 0.549 nan 8.240 nan 0.000 0.504 484 E N -0.379 119.753 120.200 -0.114 0.000 2.950 484 E HA 0.775 5.124 4.350 -0.000 0.000 0.234 484 E C 0.514 177.089 176.600 -0.041 0.000 0.936 484 E CA -0.150 56.195 56.400 -0.092 0.000 1.114 484 E CB 1.228 30.835 29.700 -0.156 0.000 1.555 484 E HN 0.633 nan 8.360 nan 0.000 0.488 485 A N -0.331 122.469 122.820 -0.033 0.000 1.989 485 A HA 0.259 4.579 4.320 -0.000 0.000 0.201 485 A C 0.796 178.368 177.584 -0.021 0.000 1.720 485 A CA 0.488 52.514 52.037 -0.018 0.000 0.956 485 A CB 0.155 19.152 19.000 -0.006 0.000 1.094 485 A HN 0.394 nan 8.150 nan 0.000 0.561 486 T N 0.000 114.541 114.554 -0.021 0.000 3.816 486 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 486 T CA 0.000 62.088 62.100 -0.020 0.000 1.349 486 T CB 0.000 68.862 68.868 -0.009 0.000 0.612 486 T HN 0.000 nan 8.240 nan 0.000 0.658