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 3nf4_1_A DATA FIRST_RESID 5 DATA SEQUENCE MAVDRLLPSQ EAAELIELTR EIADKVLDPI VDRHEKDETY PEGVFEQLGA DATA SEQUENCE AGLLSLPQPE EWGGGGQPYE VYLQVLEEIA ARWASVAVAV SVHSLSSHPL DATA SEQUENCE LVFGTEEQKK RWLPGMLSGE QIGAYSLSEP QAGSDAAALR CAATPTDGGY DATA SEQUENCE VINGSKSWIT HGGKADFYTL FARTGXXSRG VSCFLVPADQ PGLSFGKPEE DATA SEQUENCE KMGLHAVPTT SAFYDNARID ADRRIGEEGQ GLQIAFSALD SGRLGIAAVA DATA SEQUENCE TGLAQAALDE AVAYANEXXX XXXKIIDHXG LGFLLADMAA AVATARATYL DATA SEQUENCE DAARRRDQGR PYSQQASIAK LTATDAAMKV TTDAVQVFGG VGYTRDYRVE DATA SEQUENCE RYMREAKIMQ IFEGTNQIQR LVIARGLT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.312 176.300 0.020 0.000 1.140 5 M CA 0.000 55.313 55.300 0.022 0.000 0.988 5 M CB 0.000 32.616 32.600 0.027 0.000 1.302 6 A N 0.065 122.895 122.820 0.016 0.000 2.565 6 A HA 0.760 5.080 4.320 0.000 0.000 0.298 6 A C -0.703 176.888 177.584 0.011 0.000 1.062 6 A CA -0.419 51.627 52.037 0.015 0.000 0.723 6 A CB 0.688 19.697 19.000 0.014 0.000 1.282 6 A HN 1.649 nan 8.150 nan 0.000 0.400 7 V N 2.400 122.320 119.914 0.011 0.000 2.529 7 V HA 0.115 4.235 4.120 0.000 0.000 0.292 7 V C 0.398 176.495 176.094 0.004 0.000 1.028 7 V CA 0.211 62.516 62.300 0.007 0.000 1.074 7 V CB 0.890 32.719 31.823 0.010 0.000 0.958 7 V HN 0.842 nan 8.190 nan 0.000 0.481 8 D N 5.800 126.200 120.400 0.000 0.000 2.344 8 D HA 0.141 4.781 4.640 0.000 0.000 0.253 8 D C 0.296 176.591 176.300 -0.007 0.000 1.255 8 D CA 0.010 54.009 54.000 -0.002 0.000 0.894 8 D CB 0.203 41.001 40.800 -0.004 0.000 1.067 8 D HN 0.442 nan 8.370 nan 0.000 0.492 9 R N 3.360 123.857 120.500 -0.004 0.000 2.474 9 R HA 0.426 4.766 4.340 0.000 0.000 0.295 9 R C -0.226 176.069 176.300 -0.009 0.000 0.980 9 R CA -0.979 55.117 56.100 -0.007 0.000 0.934 9 R CB 1.436 31.737 30.300 0.002 0.000 1.101 9 R HN 0.374 nan 8.270 nan 0.000 0.469 10 L N 4.814 126.027 121.223 -0.017 0.000 2.283 10 L HA 0.364 4.704 4.340 0.000 0.000 0.287 10 L C -0.548 176.318 176.870 -0.007 0.000 1.073 10 L CA -0.085 54.747 54.840 -0.015 0.000 0.822 10 L CB 0.396 42.440 42.059 -0.024 0.000 1.186 10 L HN 0.339 nan 8.230 nan 0.000 0.436 11 L N 4.921 126.145 121.223 0.001 0.000 2.388 11 L HA 0.470 4.810 4.340 0.000 0.000 0.264 11 L C -1.530 175.346 176.870 0.010 0.000 0.998 11 L CA -1.364 53.481 54.840 0.009 0.000 0.817 11 L CB 2.072 44.139 42.059 0.013 0.000 1.338 11 L HN 0.352 nan 8.230 nan 0.000 0.414 12 P HA 0.033 nan 4.420 nan 0.000 0.241 12 P C -0.290 177.018 177.300 0.013 0.000 1.191 12 P CA 0.403 63.511 63.100 0.014 0.000 0.771 12 P CB 0.283 31.995 31.700 0.020 0.000 0.929 13 S N -2.883 112.825 115.700 0.014 0.000 2.636 13 S HA 0.253 4.723 4.470 0.000 0.000 0.266 13 S C 0.484 175.091 174.600 0.012 0.000 1.147 13 S CA -0.658 57.549 58.200 0.012 0.000 0.815 13 S CB 1.296 64.504 63.200 0.014 0.000 1.119 13 S HN -0.214 nan 8.310 nan 0.000 0.470 14 Q N 0.607 120.413 119.800 0.010 0.000 2.167 14 Q HA 0.059 4.399 4.340 0.000 0.000 0.202 14 Q C 2.183 178.191 176.000 0.012 0.000 0.970 14 Q CA 2.757 58.566 55.803 0.010 0.000 0.855 14 Q CB -0.984 27.759 28.738 0.008 0.000 0.911 14 Q HN 0.926 nan 8.270 nan 0.000 0.438 15 E N -0.006 120.202 120.200 0.014 0.000 2.077 15 E HA -0.082 4.268 4.350 0.000 0.000 0.193 15 E C 2.005 178.617 176.600 0.020 0.000 0.989 15 E CA 1.582 57.992 56.400 0.016 0.000 0.800 15 E CB -1.213 28.496 29.700 0.016 0.000 0.746 15 E HN 0.603 nan 8.360 nan 0.000 0.452 16 A N 0.879 123.712 122.820 0.021 0.000 1.933 16 A HA 0.244 4.564 4.320 0.000 0.000 0.218 16 A C 2.832 180.429 177.584 0.022 0.000 1.175 16 A CA 2.416 54.468 52.037 0.026 0.000 0.628 16 A CB -0.722 18.295 19.000 0.028 0.000 0.814 16 A HN 1.022 nan 8.150 nan 0.000 0.444 17 A N -0.727 122.104 122.820 0.017 0.000 1.908 17 A HA 0.027 4.347 4.320 0.000 0.000 0.218 17 A C 2.150 179.743 177.584 0.015 0.000 1.181 17 A CA 2.432 54.478 52.037 0.015 0.000 0.627 17 A CB -1.020 17.987 19.000 0.012 0.000 0.818 17 A HN 0.764 nan 8.150 nan 0.000 0.445 18 E N -0.549 119.660 120.200 0.015 0.000 2.152 18 E HA -0.003 4.347 4.350 0.000 0.000 0.192 18 E C 1.927 178.538 176.600 0.018 0.000 0.983 18 E CA 1.350 57.759 56.400 0.015 0.000 0.818 18 E CB -0.794 28.915 29.700 0.014 0.000 0.758 18 E HN 0.636 nan 8.360 nan 0.000 0.467 19 L N 0.121 121.357 121.223 0.021 0.000 2.093 19 L HA -0.044 4.296 4.340 0.000 0.000 0.208 19 L C 2.284 179.168 176.870 0.023 0.000 1.085 19 L CA 1.340 56.195 54.840 0.025 0.000 0.755 19 L CB -0.117 41.961 42.059 0.031 0.000 0.904 19 L HN 0.304 nan 8.230 nan 0.000 0.435 20 I N -0.279 120.304 120.570 0.021 0.000 2.226 20 I HA -0.229 3.941 4.170 0.000 0.000 0.245 20 I C 2.512 178.639 176.117 0.016 0.000 1.100 20 I CA 1.194 62.505 61.300 0.018 0.000 1.374 20 I CB -1.106 36.904 38.000 0.017 0.000 1.057 20 I HN 0.357 nan 8.210 nan 0.000 0.413 21 E N 1.134 121.343 120.200 0.015 0.000 2.077 21 E HA -0.226 4.124 4.350 0.000 0.000 0.193 21 E C 2.050 178.658 176.600 0.015 0.000 0.989 21 E CA 0.978 57.387 56.400 0.014 0.000 0.800 21 E CB -0.426 29.282 29.700 0.013 0.000 0.746 21 E HN 0.317 nan 8.360 nan 0.000 0.452 22 L N 0.140 121.373 121.223 0.016 0.000 2.046 22 L HA -0.149 4.191 4.340 0.000 0.000 0.208 22 L C 2.053 178.932 176.870 0.015 0.000 1.077 22 L CA 2.154 57.004 54.840 0.016 0.000 0.747 22 L CB -0.931 41.138 42.059 0.018 0.000 0.896 22 L HN 0.123 nan 8.230 nan 0.000 0.432 23 T N -0.411 114.152 114.554 0.016 0.000 2.746 23 T HA -0.170 4.181 4.350 0.000 0.000 0.267 23 T C 1.963 176.670 174.700 0.012 0.000 1.039 23 T CA 1.655 63.763 62.100 0.013 0.000 1.142 23 T CB -0.248 68.628 68.868 0.012 0.000 0.866 23 T HN 0.385 nan 8.240 nan 0.000 0.444 24 R N 0.657 121.165 120.500 0.013 0.000 2.096 24 R HA -0.068 4.272 4.340 0.000 0.000 0.235 24 R C 2.549 178.859 176.300 0.016 0.000 1.127 24 R CA 1.216 57.325 56.100 0.015 0.000 0.968 24 R CB -0.194 30.115 30.300 0.015 0.000 0.861 24 R HN 0.295 nan 8.270 nan 0.000 0.440 25 E N 1.254 121.463 120.200 0.015 0.000 2.028 25 E HA -0.129 4.221 4.350 0.000 0.000 0.191 25 E C 1.849 178.458 176.600 0.014 0.000 0.988 25 E CA 1.225 57.633 56.400 0.014 0.000 0.799 25 E CB -0.086 29.622 29.700 0.013 0.000 0.755 25 E HN 0.089 nan 8.360 nan 0.000 0.447 26 I N 0.989 121.566 120.570 0.012 0.000 2.163 26 I HA -0.241 3.929 4.170 0.000 0.000 0.243 26 I C 2.392 178.517 176.117 0.013 0.000 1.085 26 I CA 1.493 62.798 61.300 0.009 0.000 1.347 26 I CB -1.769 36.234 38.000 0.004 0.000 1.044 26 I HN 0.163 nan 8.210 nan 0.000 0.408 27 A N 0.661 123.491 122.820 0.016 0.000 1.902 27 A HA -0.203 4.117 4.320 0.000 0.000 0.217 27 A C 1.983 179.588 177.584 0.035 0.000 1.181 27 A CA 1.880 53.934 52.037 0.028 0.000 0.623 27 A CB -0.575 18.442 19.000 0.028 0.000 0.818 27 A HN 0.352 nan 8.150 nan 0.000 0.443 28 D N -0.942 119.474 120.400 0.026 0.000 2.224 28 D HA -0.076 4.564 4.640 0.000 0.000 0.205 28 D C 1.866 178.179 176.300 0.021 0.000 0.965 28 D CA 1.299 55.313 54.000 0.024 0.000 0.852 28 D CB -0.022 40.790 40.800 0.021 0.000 0.947 28 D HN 0.646 nan 8.370 nan 0.000 0.494 29 K N 0.041 120.454 120.400 0.021 0.000 2.202 29 K HA 0.025 4.346 4.320 0.000 0.000 0.201 29 K C 1.641 178.256 176.600 0.024 0.000 1.051 29 K CA 0.468 56.767 56.287 0.019 0.000 0.977 29 K CB 0.469 32.978 32.500 0.016 0.000 0.792 29 K HN -0.122 nan 8.250 nan 0.000 0.469 30 V N 0.944 120.876 119.914 0.029 0.000 2.788 30 V HA -0.020 4.100 4.120 0.000 0.000 0.241 30 V C 1.970 178.111 176.094 0.079 0.000 1.083 30 V CA 0.705 63.028 62.300 0.038 0.000 1.103 30 V CB 0.087 31.917 31.823 0.013 0.000 0.800 30 V HN 0.210 nan 8.190 nan 0.000 0.476 31 L N -0.137 121.146 121.223 0.100 0.000 2.130 31 L HA 0.010 4.350 4.340 0.000 0.000 0.200 31 L C 2.306 179.222 176.870 0.077 0.000 1.075 31 L CA 1.679 56.646 54.840 0.211 0.000 0.768 31 L CB -0.685 41.532 42.059 0.264 0.000 0.933 31 L HN 0.333 nan 8.230 nan 0.000 0.451 32 D N 0.498 120.917 120.400 0.031 0.000 2.149 32 D HA -0.146 4.494 4.640 0.000 0.000 0.198 32 D C -0.721 175.542 176.300 -0.062 0.000 0.990 32 D CA 1.338 55.323 54.000 -0.025 0.000 0.839 32 D CB -0.562 40.240 40.800 0.003 0.000 0.948 32 D HN 0.185 nan 8.370 nan 0.000 0.460 33 P HA 0.090 nan 4.420 nan 0.000 0.231 33 P C 1.189 178.450 177.300 -0.065 0.000 1.168 33 P CA 0.734 63.809 63.100 -0.041 0.000 0.779 33 P CB -0.134 31.558 31.700 -0.012 0.000 0.844 34 I N -5.526 115.000 120.570 -0.073 0.000 4.139 34 I HA 0.149 4.320 4.170 0.000 0.000 0.335 34 I C 1.751 177.727 176.117 -0.235 0.000 1.327 34 I CA -0.043 61.219 61.300 -0.063 0.000 1.112 34 I CB -0.246 37.836 38.000 0.137 0.000 1.058 34 I HN -0.301 nan 8.210 nan 0.000 0.396 35 V N 2.556 122.169 119.914 -0.503 0.000 2.343 35 V HA -0.242 3.878 4.120 0.000 0.000 0.247 35 V C 2.139 177.890 176.094 -0.573 0.000 1.051 35 V CA 2.666 64.358 62.300 -1.014 0.000 1.036 35 V CB -0.395 30.727 31.823 -1.169 0.000 0.654 35 V HN 0.422 nan 8.190 nan 0.000 0.451 36 D N -0.236 119.958 120.400 -0.344 0.000 2.144 36 D HA -0.172 4.468 4.640 0.000 0.000 0.199 36 D C 2.283 178.477 176.300 -0.177 0.000 0.984 36 D CA 1.474 55.334 54.000 -0.232 0.000 0.834 36 D CB -0.290 40.396 40.800 -0.190 0.000 0.955 36 D HN 0.375 nan 8.370 nan 0.000 0.465 37 R N 0.070 120.458 120.500 -0.187 0.000 2.093 37 R HA -0.049 4.292 4.340 0.000 0.000 0.224 37 R C 2.052 178.256 176.300 -0.160 0.000 1.101 37 R CA 1.285 57.276 56.100 -0.182 0.000 0.979 37 R CB -0.536 29.630 30.300 -0.223 0.000 0.877 37 R HN 0.265 nan 8.270 nan 0.000 0.441 38 H N 0.194 119.221 119.070 -0.071 0.000 2.428 38 H HA 0.038 4.594 4.556 0.000 0.000 0.296 38 H C 1.427 176.811 175.328 0.094 0.000 1.062 38 H CA 1.200 57.277 56.048 0.048 0.000 1.350 38 H CB 0.387 30.254 29.762 0.175 0.000 1.403 38 H HN 0.240 nan 8.280 nan 0.000 0.533 39 E N 0.886 121.173 120.200 0.145 0.000 2.107 39 E HA -0.107 4.243 4.350 0.000 0.000 0.191 39 E C 2.204 178.884 176.600 0.133 0.000 0.982 39 E CA 0.367 56.882 56.400 0.192 0.000 0.809 39 E CB 0.120 29.884 29.700 0.106 0.000 0.756 39 E HN 0.405 nan 8.360 nan 0.000 0.459 40 K N 0.832 121.244 120.400 0.020 0.000 2.057 40 K HA -0.142 4.178 4.320 0.000 0.000 0.206 40 K C 1.141 177.709 176.600 -0.053 0.000 1.050 40 K CA 1.382 57.649 56.287 -0.034 0.000 0.935 40 K CB 0.147 32.605 32.500 -0.069 0.000 0.715 40 K HN -0.095 nan 8.250 nan 0.000 0.439 41 D N 0.850 121.235 120.400 -0.026 0.000 2.323 41 D HA -0.048 4.592 4.640 0.000 0.000 0.209 41 D C -0.374 175.932 176.300 0.010 0.000 0.973 41 D CA 0.543 54.532 54.000 -0.019 0.000 0.874 41 D CB 0.223 41.013 40.800 -0.017 0.000 0.930 41 D HN 0.285 nan 8.370 nan 0.000 0.521 42 E N 0.232 120.462 120.200 0.051 0.000 2.442 42 E HA -0.139 4.211 4.350 0.000 0.000 0.256 42 E C -0.381 176.321 176.600 0.170 0.000 1.095 42 E CA 0.455 56.911 56.400 0.093 0.000 0.747 42 E CB -2.309 27.361 29.700 -0.049 0.000 1.310 42 E HN 0.340 nan 8.360 nan 0.000 0.396 43 T N -2.694 112.015 114.554 0.258 0.000 2.932 43 T HA 0.492 4.842 4.350 0.000 0.000 0.289 43 T C -0.318 174.579 174.700 0.330 0.000 1.039 43 T CA -0.887 61.398 62.100 0.307 0.000 1.024 43 T CB 1.607 70.674 68.868 0.331 0.000 1.090 43 T HN 0.208 nan 8.240 nan 0.000 0.496 44 Y N 3.394 123.774 120.300 0.134 0.000 2.425 44 Y HA 0.370 4.920 4.550 0.000 0.000 0.331 44 Y C -1.988 173.859 175.900 -0.089 0.000 1.157 44 Y CA -1.912 56.211 58.100 0.037 0.000 1.372 44 Y CB 0.892 39.383 38.460 0.052 0.000 1.253 44 Y HN 0.453 nan 8.280 nan 0.000 0.536 45 P HA 0.098 nan 4.420 nan 0.000 0.251 45 P C -1.031 176.042 177.300 -0.377 0.000 1.718 45 P CA -0.279 62.423 63.100 -0.662 0.000 1.119 45 P CB 0.499 31.776 31.700 -0.706 0.000 1.762 46 E N 1.856 122.030 120.200 -0.042 0.000 2.414 46 E HA 0.333 4.683 4.350 0.000 0.000 0.263 46 E C 1.613 178.241 176.600 0.046 0.000 1.000 46 E CA 1.644 58.109 56.400 0.109 0.000 0.914 46 E CB -0.165 29.631 29.700 0.160 0.000 0.948 46 E HN 0.658 nan 8.360 nan 0.000 0.444 47 G N 2.038 110.881 108.800 0.071 0.000 2.268 47 G HA2 -0.326 3.635 3.960 0.000 0.000 0.240 47 G HA3 -0.326 3.635 3.960 0.000 0.000 0.240 47 G C 1.120 176.017 174.900 -0.004 0.000 1.010 47 G CA 0.237 45.363 45.100 0.043 0.000 0.618 47 G HN 0.441 nan 8.290 nan 0.000 0.516 48 V N 0.549 120.410 119.914 -0.089 0.000 2.270 48 V HA -0.023 4.098 4.120 0.000 0.000 0.245 48 V C 2.383 178.320 176.094 -0.261 0.000 1.043 48 V CA 2.647 64.809 62.300 -0.229 0.000 1.014 48 V CB -0.698 30.864 31.823 -0.435 0.000 0.645 48 V HN 0.365 nan 8.190 nan 0.000 0.447 49 F N 1.017 120.901 119.950 -0.110 0.000 2.293 49 F HA -0.049 4.478 4.527 0.000 0.000 0.300 49 F C 2.632 178.392 175.800 -0.067 0.000 1.086 49 F CA 1.376 59.319 58.000 -0.095 0.000 1.375 49 F CB -0.955 37.993 39.000 -0.086 0.000 1.045 49 F HN 0.291 nan 8.300 nan 0.000 0.516 50 E N 0.304 120.572 120.200 0.113 0.000 2.072 50 E HA -0.220 4.130 4.350 0.000 0.000 0.191 50 E C 1.930 178.550 176.600 0.033 0.000 0.985 50 E CA 1.515 57.954 56.400 0.065 0.000 0.801 50 E CB -0.879 28.857 29.700 0.061 0.000 0.750 50 E HN 0.593 nan 8.360 nan 0.000 0.452 51 Q N -0.664 119.141 119.800 0.008 0.000 2.123 51 Q HA 0.072 4.412 4.340 0.000 0.000 0.199 51 Q C 2.513 178.507 176.000 -0.009 0.000 0.966 51 Q CA 1.167 56.967 55.803 -0.004 0.000 0.845 51 Q CB -0.062 28.665 28.738 -0.017 0.000 0.907 51 Q HN 0.535 nan 8.270 nan 0.000 0.439 52 L N -0.546 120.662 121.223 -0.026 0.000 2.109 52 L HA -0.043 4.297 4.340 0.000 0.000 0.207 52 L C 2.381 179.258 176.870 0.012 0.000 1.086 52 L CA 0.985 55.813 54.840 -0.019 0.000 0.760 52 L CB -0.636 41.392 42.059 -0.051 0.000 0.910 52 L HN 0.287 nan 8.230 nan 0.000 0.437 53 G N -0.277 108.536 108.800 0.023 0.000 2.422 53 G HA2 -0.225 3.735 3.960 0.000 0.000 0.218 53 G HA3 -0.225 3.735 3.960 0.000 0.000 0.218 53 G C 1.698 176.617 174.900 0.030 0.000 1.146 53 G CA 0.746 45.862 45.100 0.027 0.000 0.769 53 G HN 0.450 nan 8.290 nan 0.000 0.547 54 A N 0.579 123.415 122.820 0.027 0.000 2.119 54 A HA 0.498 4.818 4.320 0.000 0.000 0.217 54 A C 2.478 180.077 177.584 0.025 0.000 1.153 54 A CA 1.643 53.697 52.037 0.027 0.000 0.692 54 A CB -0.245 18.769 19.000 0.024 0.000 0.799 54 A HN 0.661 nan 8.150 nan 0.000 0.458 55 A N -1.992 120.842 122.820 0.022 0.000 2.218 55 A HA 0.432 4.752 4.320 0.000 0.000 0.209 55 A C 1.752 179.353 177.584 0.028 0.000 1.168 55 A CA 1.162 53.212 52.037 0.022 0.000 0.804 55 A CB -0.587 18.423 19.000 0.017 0.000 0.834 55 A HN 1.718 nan 8.150 nan 0.000 0.482 56 G N -1.019 107.801 108.800 0.033 0.000 2.175 56 G HA2 -0.249 3.711 3.960 0.000 0.000 0.244 56 G HA3 -0.249 3.711 3.960 0.000 0.000 0.244 56 G C 0.776 175.705 174.900 0.049 0.000 0.982 56 G CA 0.362 45.487 45.100 0.041 0.000 0.641 56 G HN 0.445 nan 8.290 nan 0.000 0.527 57 L N 0.019 121.270 121.223 0.047 0.000 2.465 57 L HA 0.286 4.627 4.340 0.000 0.000 0.224 57 L C 2.250 179.169 176.870 0.083 0.000 1.145 57 L CA 0.556 55.433 54.840 0.062 0.000 0.834 57 L CB -0.103 41.982 42.059 0.044 0.000 0.944 57 L HN 0.285 nan 8.230 nan 0.000 0.451 58 L N -0.928 120.336 121.223 0.067 0.000 2.653 58 L HA 0.113 4.453 4.340 0.000 0.000 0.231 58 L C 0.771 177.725 176.870 0.140 0.000 1.153 58 L CA 0.150 55.036 54.840 0.075 0.000 0.933 58 L CB 0.078 42.110 42.059 -0.043 0.000 1.175 58 L HN 0.249 nan 8.230 nan 0.000 0.473 59 S N -2.755 112.999 115.700 0.090 0.000 3.088 59 S HA 0.209 4.680 4.470 0.000 0.000 0.249 59 S C 1.000 175.597 174.600 -0.005 0.000 0.877 59 S CA -0.458 57.783 58.200 0.068 0.000 1.184 59 S CB -0.223 63.041 63.200 0.107 0.000 1.170 59 S HN 0.122 nan 8.310 nan 0.000 0.603 60 L N 1.652 122.851 121.223 -0.040 0.000 1.990 60 L HA -0.041 4.300 4.340 0.000 0.000 0.213 60 L C -0.471 176.336 176.870 -0.105 0.000 1.072 60 L CA 1.835 56.648 54.840 -0.044 0.000 0.755 60 L CB -1.393 40.690 42.059 0.040 0.000 0.889 60 L HN 0.312 nan 8.230 nan 0.000 0.432 61 P HA -0.054 nan 4.420 nan 0.000 0.231 61 P C 0.249 177.537 177.300 -0.020 0.000 1.168 61 P CA 0.582 63.574 63.100 -0.180 0.000 0.779 61 P CB 0.156 31.613 31.700 -0.406 0.000 0.844 62 Q N 0.967 120.757 119.800 -0.017 0.000 2.368 62 Q HA 0.306 4.646 4.340 0.000 0.000 0.237 62 Q C -2.289 173.760 176.000 0.083 0.000 0.987 62 Q CA -1.853 53.981 55.803 0.053 0.000 0.896 62 Q CB -0.882 27.893 28.738 0.062 0.000 1.241 62 Q HN 0.089 nan 8.270 nan 0.000 0.485 63 P HA -0.034 nan 4.420 nan 0.000 0.268 63 P C -0.371 176.980 177.300 0.084 0.000 1.205 63 P CA 0.136 63.299 63.100 0.106 0.000 0.771 63 P CB 0.645 32.435 31.700 0.150 0.000 0.858 64 E N 2.034 122.247 120.200 0.021 0.000 2.153 64 E HA -0.240 4.110 4.350 0.000 0.000 0.194 64 E C 1.532 178.096 176.600 -0.061 0.000 0.988 64 E CA 1.068 57.466 56.400 -0.003 0.000 0.811 64 E CB -0.072 29.618 29.700 -0.017 0.000 0.746 64 E HN 0.679 nan 8.360 nan 0.000 0.466 65 E N 0.013 120.109 120.200 -0.175 0.000 2.333 65 E HA -0.195 4.155 4.350 0.000 0.000 0.198 65 E C 0.934 177.220 176.600 -0.524 0.000 1.007 65 E CA 0.856 57.016 56.400 -0.402 0.000 0.845 65 E CB -0.189 29.157 29.700 -0.590 0.000 0.766 65 E HN 0.446 nan 8.360 nan 0.000 0.507 66 W N -0.385 120.911 121.300 -0.006 0.000 3.008 66 W HA 0.416 5.076 4.660 0.000 0.000 0.355 66 W C 1.039 177.560 176.519 0.003 0.000 1.095 66 W CA -0.160 57.183 57.345 -0.005 0.000 1.738 66 W CB 1.470 30.926 29.460 -0.007 0.000 1.091 66 W HN 0.252 nan 8.180 nan 0.000 0.574 67 G N 0.236 109.132 108.800 0.159 0.000 2.179 67 G HA2 -0.193 3.767 3.960 0.000 0.000 0.220 67 G HA3 -0.193 3.767 3.960 0.000 0.000 0.220 67 G C 0.594 175.554 174.900 0.100 0.000 0.990 67 G CA -0.442 44.726 45.100 0.114 0.000 0.646 67 G HN 0.441 nan 8.290 nan 0.000 0.517 68 G N -0.713 108.152 108.800 0.108 0.000 2.588 68 G HA2 0.562 4.522 3.960 0.000 0.000 0.278 68 G HA3 0.562 4.522 3.960 0.000 0.000 0.278 68 G C 1.174 176.105 174.900 0.051 0.000 1.307 68 G CA 0.148 45.295 45.100 0.077 0.000 1.016 68 G HN 1.182 nan 8.290 nan 0.000 0.503 69 G N -1.892 106.930 108.800 0.037 0.000 3.042 69 G HA2 0.389 4.349 3.960 0.000 0.000 0.212 69 G HA3 0.389 4.349 3.960 0.000 0.000 0.212 69 G C 1.306 176.224 174.900 0.030 0.000 1.166 69 G CA 0.777 45.896 45.100 0.032 0.000 0.767 69 G HN 1.967 nan 8.290 nan 0.000 0.546 70 G N -0.509 108.311 108.800 0.032 0.000 2.175 70 G HA2 -0.294 3.666 3.960 0.000 0.000 0.265 70 G HA3 -0.294 3.666 3.960 0.000 0.000 0.265 70 G C 0.463 175.390 174.900 0.045 0.000 0.979 70 G CA 0.255 45.377 45.100 0.036 0.000 0.663 70 G HN 0.487 nan 8.290 nan 0.000 0.533 71 Q N 0.841 120.669 119.800 0.047 0.000 2.364 71 Q HA 0.301 4.641 4.340 0.000 0.000 0.267 71 Q C -1.789 174.278 176.000 0.112 0.000 0.999 71 Q CA -1.059 54.786 55.803 0.070 0.000 0.886 71 Q CB 0.897 29.680 28.738 0.075 0.000 1.243 71 Q HN 0.393 nan 8.270 nan 0.000 0.415 72 P HA 0.001 nan 4.420 nan 0.000 0.274 72 P C 0.200 177.658 177.300 0.263 0.000 1.246 72 P CA -0.171 63.034 63.100 0.176 0.000 0.795 72 P CB 0.524 32.292 31.700 0.114 0.000 1.006 73 Y N 0.265 120.626 120.300 0.102 0.000 2.224 73 Y HA -0.189 4.362 4.550 0.000 0.000 0.289 73 Y C 2.631 178.612 175.900 0.135 0.000 1.146 73 Y CA 1.791 59.990 58.100 0.164 0.000 1.182 73 Y CB -0.657 37.868 38.460 0.108 0.000 0.983 73 Y HN 0.498 nan 8.280 nan 0.000 0.524 74 E N -0.495 119.833 120.200 0.213 0.000 2.219 74 E HA -0.174 4.176 4.350 0.000 0.000 0.198 74 E C 1.711 178.371 176.600 0.099 0.000 0.998 74 E CA 1.488 57.967 56.400 0.131 0.000 0.818 74 E CB 0.005 29.756 29.700 0.084 0.000 0.741 74 E HN 0.308 nan 8.360 nan 0.000 0.477 75 V N -0.262 119.713 119.914 0.103 0.000 2.690 75 V HA -0.127 3.993 4.120 0.000 0.000 0.240 75 V C 1.853 177.990 176.094 0.072 0.000 1.078 75 V CA 1.083 63.430 62.300 0.078 0.000 1.102 75 V CB -0.780 31.089 31.823 0.076 0.000 0.800 75 V HN 0.341 nan 8.190 nan 0.000 0.479 76 Y N 1.579 121.842 120.300 -0.062 0.000 2.114 76 Y HA -0.268 4.283 4.550 0.000 0.000 0.282 76 Y C 2.104 177.906 175.900 -0.164 0.000 1.165 76 Y CA 1.811 59.821 58.100 -0.151 0.000 1.148 76 Y CB -0.589 37.688 38.460 -0.304 0.000 0.972 76 Y HN 0.156 nan 8.280 nan 0.000 0.504 77 L N -0.000 120.940 121.223 -0.470 0.000 2.131 77 L HA -0.246 4.094 4.340 0.000 0.000 0.210 77 L C 2.494 179.201 176.870 -0.270 0.000 1.092 77 L CA 1.640 56.164 54.840 -0.526 0.000 0.759 77 L CB -0.585 41.345 42.059 -0.216 0.000 0.903 77 L HN 0.349 nan 8.230 nan 0.000 0.435 78 Q N -0.901 118.867 119.800 -0.054 0.000 2.245 78 Q HA -0.095 4.245 4.340 0.000 0.000 0.201 78 Q C 2.341 178.318 176.000 -0.038 0.000 0.955 78 Q CA 0.825 56.645 55.803 0.028 0.000 0.870 78 Q CB 0.114 28.895 28.738 0.072 0.000 0.945 78 Q HN 0.372 nan 8.270 nan 0.000 0.461 79 V N 0.951 120.820 119.914 -0.075 0.000 2.358 79 V HA -0.233 3.887 4.120 0.000 0.000 0.246 79 V C 2.117 178.149 176.094 -0.102 0.000 1.047 79 V CA 1.206 63.472 62.300 -0.056 0.000 1.035 79 V CB -0.402 31.418 31.823 -0.005 0.000 0.658 79 V HN 0.282 nan 8.190 nan 0.000 0.452 80 L N 0.272 121.358 121.223 -0.228 0.000 2.042 80 L HA -0.200 4.140 4.340 0.000 0.000 0.210 80 L C 2.450 179.214 176.870 -0.177 0.000 1.076 80 L CA 2.111 56.800 54.840 -0.252 0.000 0.749 80 L CB -0.736 41.035 42.059 -0.482 0.000 0.893 80 L HN 0.420 nan 8.230 nan 0.000 0.432 81 E N -0.937 119.163 120.200 -0.166 0.000 2.077 81 E HA -0.222 4.128 4.350 0.000 0.000 0.193 81 E C 1.906 178.477 176.600 -0.050 0.000 0.989 81 E CA 1.154 57.496 56.400 -0.098 0.000 0.800 81 E CB 0.109 29.798 29.700 -0.019 0.000 0.746 81 E HN 0.518 nan 8.360 nan 0.000 0.452 82 E N 0.513 120.692 120.200 -0.035 0.000 2.047 82 E HA -0.165 4.185 4.350 0.000 0.000 0.191 82 E C 2.293 178.887 176.600 -0.011 0.000 0.987 82 E CA 0.729 57.121 56.400 -0.014 0.000 0.799 82 E CB -0.275 29.422 29.700 -0.005 0.000 0.752 82 E HN 0.403 nan 8.360 nan 0.000 0.449 83 I N 1.448 122.006 120.570 -0.020 0.000 2.118 83 I HA -0.307 3.863 4.170 0.000 0.000 0.241 83 I C 2.519 178.643 176.117 0.012 0.000 1.070 83 I CA 1.489 62.786 61.300 -0.005 0.000 1.327 83 I CB -0.450 37.536 38.000 -0.023 0.000 1.034 83 I HN 0.005 nan 8.210 nan 0.000 0.405 84 A N 0.538 123.347 122.820 -0.017 0.000 2.070 84 A HA -0.104 4.216 4.320 0.000 0.000 0.220 84 A C 2.437 180.007 177.584 -0.023 0.000 1.159 84 A CA 1.649 53.679 52.037 -0.011 0.000 0.656 84 A CB -0.747 18.224 19.000 -0.049 0.000 0.800 84 A HN 0.477 nan 8.150 nan 0.000 0.453 85 A N -0.979 121.820 122.820 -0.035 0.000 2.121 85 A HA 0.001 4.321 4.320 0.000 0.000 0.218 85 A C 2.141 179.719 177.584 -0.011 0.000 1.154 85 A CA 1.549 53.551 52.037 -0.058 0.000 0.679 85 A CB -0.203 18.774 19.000 -0.038 0.000 0.795 85 A HN 0.430 nan 8.150 nan 0.000 0.458 86 R N -3.230 117.299 120.500 0.047 0.000 2.103 86 R HA 0.153 4.493 4.340 0.000 0.000 0.212 86 R C -0.165 176.234 176.300 0.165 0.000 1.107 86 R CA 0.679 56.833 56.100 0.090 0.000 1.025 86 R CB 0.202 30.558 30.300 0.094 0.000 0.929 86 R HN 0.541 nan 8.270 nan 0.000 0.456 87 W N 0.019 121.310 121.300 -0.014 0.000 2.642 87 W HA 0.508 5.168 4.660 0.000 0.000 0.304 87 W C 0.005 176.513 176.519 -0.018 0.000 1.023 87 W CA -1.608 55.733 57.345 -0.008 0.000 1.290 87 W CB 0.847 30.280 29.460 -0.046 0.000 1.190 87 W HN 0.122 nan 8.180 nan 0.000 0.374 88 A N 2.199 125.227 122.820 0.345 0.000 1.877 88 A HA -0.189 4.131 4.320 0.000 0.000 0.216 88 A C 2.141 179.807 177.584 0.137 0.000 1.186 88 A CA 2.486 54.628 52.037 0.174 0.000 0.620 88 A CB -0.639 18.437 19.000 0.126 0.000 0.822 88 A HN 0.539 nan 8.150 nan 0.000 0.443 89 S N -0.711 115.110 115.700 0.202 0.000 2.383 89 S HA -0.135 4.335 4.470 0.000 0.000 0.229 89 S C 1.876 176.375 174.600 -0.169 0.000 1.030 89 S CA 1.690 59.911 58.200 0.035 0.000 1.002 89 S CB -0.478 62.784 63.200 0.103 0.000 0.829 89 S HN 0.298 nan 8.310 nan 0.000 0.467 90 V N 1.695 121.350 119.914 -0.431 0.000 2.427 90 V HA -0.067 4.053 4.120 0.000 0.000 0.248 90 V C 2.804 178.824 176.094 -0.124 0.000 1.051 90 V CA 1.676 63.711 62.300 -0.442 0.000 1.048 90 V CB -1.180 30.145 31.823 -0.830 0.000 0.666 90 V HN 0.612 nan 8.190 nan 0.000 0.456 91 A N -0.376 122.400 122.820 -0.073 0.000 1.929 91 A HA -0.107 4.213 4.320 0.000 0.000 0.216 91 A C 2.376 179.953 177.584 -0.012 0.000 1.176 91 A CA 1.601 53.621 52.037 -0.028 0.000 0.628 91 A CB -0.575 18.408 19.000 -0.029 0.000 0.816 91 A HN 0.302 nan 8.150 nan 0.000 0.444 92 V N 0.146 120.054 119.914 -0.010 0.000 2.282 92 V HA -0.347 3.773 4.120 0.000 0.000 0.249 92 V C 3.059 179.138 176.094 -0.026 0.000 1.057 92 V CA 2.223 64.505 62.300 -0.029 0.000 1.032 92 V CB -1.249 30.578 31.823 0.007 0.000 0.645 92 V HN 0.618 nan 8.190 nan 0.000 0.447 93 A N -0.641 122.185 122.820 0.011 0.000 1.972 93 A HA -0.145 4.175 4.320 0.000 0.000 0.219 93 A C 2.370 180.030 177.584 0.127 0.000 1.169 93 A CA 1.933 54.004 52.037 0.057 0.000 0.635 93 A CB -0.603 18.440 19.000 0.071 0.000 0.810 93 A HN 0.359 nan 8.150 nan 0.000 0.446 94 V N -0.690 119.319 119.914 0.159 0.000 2.343 94 V HA -0.213 3.907 4.120 0.000 0.000 0.247 94 V C 2.782 178.972 176.094 0.161 0.000 1.051 94 V CA 2.278 64.681 62.300 0.172 0.000 1.036 94 V CB -0.752 31.157 31.823 0.143 0.000 0.654 94 V HN 0.629 nan 8.190 nan 0.000 0.451 95 S N -0.482 115.270 115.700 0.088 0.000 2.368 95 S HA -0.172 4.298 4.470 0.000 0.000 0.225 95 S C 1.994 176.610 174.600 0.026 0.000 1.030 95 S CA 1.731 59.968 58.200 0.061 0.000 0.999 95 S CB -0.187 62.993 63.200 -0.032 0.000 0.844 95 S HN 0.339 nan 8.310 nan 0.000 0.459 96 V N 1.189 121.100 119.914 -0.005 0.000 2.407 96 V HA -0.172 3.948 4.120 0.000 0.000 0.248 96 V C 2.238 178.343 176.094 0.018 0.000 1.055 96 V CA 2.392 64.674 62.300 -0.030 0.000 1.049 96 V CB -0.922 30.888 31.823 -0.021 0.000 0.662 96 V HN 0.671 nan 8.190 nan 0.000 0.455 97 H N 0.177 119.230 119.070 -0.029 0.000 2.352 97 H HA -0.146 4.410 4.556 0.000 0.000 0.299 97 H C 2.452 177.806 175.328 0.043 0.000 1.097 97 H CA 2.037 58.068 56.048 -0.029 0.000 1.311 97 H CB -0.097 29.647 29.762 -0.029 0.000 1.377 97 H HN 0.354 nan 8.280 nan 0.000 0.504 98 S N -0.265 115.458 115.700 0.038 0.000 2.353 98 S HA -0.124 4.346 4.470 0.000 0.000 0.222 98 S C 2.046 176.648 174.600 0.004 0.000 1.035 98 S CA 1.253 59.453 58.200 0.000 0.000 1.025 98 S CB -0.318 62.914 63.200 0.054 0.000 0.902 98 S HN 0.245 nan 8.310 nan 0.000 0.440 99 L N 2.029 123.230 121.223 -0.035 0.000 2.079 99 L HA -0.098 4.242 4.340 0.000 0.000 0.210 99 L C 2.685 179.586 176.870 0.051 0.000 1.081 99 L CA 1.844 56.618 54.840 -0.111 0.000 0.752 99 L CB -1.241 40.568 42.059 -0.417 0.000 0.896 99 L HN 0.471 nan 8.230 nan 0.000 0.433 100 S N -1.573 114.174 115.700 0.078 0.000 2.402 100 S HA -0.151 4.319 4.470 0.000 0.000 0.229 100 S C 2.009 176.763 174.600 0.257 0.000 1.021 100 S CA 1.126 59.463 58.200 0.229 0.000 0.974 100 S CB -0.624 62.605 63.200 0.049 0.000 0.800 100 S HN 0.528 nan 8.310 nan 0.000 0.484 101 S N -0.102 115.671 115.700 0.121 0.000 2.593 101 S HA 0.059 4.529 4.470 0.000 0.000 0.217 101 S C 1.527 176.187 174.600 0.099 0.000 0.966 101 S CA 0.466 58.706 58.200 0.067 0.000 0.914 101 S CB -0.754 62.416 63.200 -0.049 0.000 0.776 101 S HN 0.830 nan 8.310 nan 0.000 0.523 102 H N 2.865 121.990 119.070 0.092 0.000 2.357 102 H HA 0.133 4.689 4.556 0.000 0.000 0.301 102 H C -0.969 174.487 175.328 0.213 0.000 1.082 102 H CA 1.574 57.698 56.048 0.127 0.000 1.342 102 H CB -1.035 28.809 29.762 0.137 0.000 1.389 102 H HN 0.356 nan 8.280 nan 0.000 0.511 103 P HA -0.158 nan 4.420 nan 0.000 0.216 103 P C 1.621 179.032 177.300 0.184 0.000 1.150 103 P CA 0.970 64.246 63.100 0.292 0.000 0.837 103 P CB -0.033 31.762 31.700 0.159 0.000 0.786 104 L N -0.847 120.401 121.223 0.042 0.000 2.072 104 L HA -0.058 4.282 4.340 0.000 0.000 0.205 104 L C 2.120 178.925 176.870 -0.108 0.000 1.079 104 L CA 1.607 56.425 54.840 -0.036 0.000 0.752 104 L CB -1.574 40.431 42.059 -0.090 0.000 0.906 104 L HN -0.142 nan 8.230 nan 0.000 0.436 105 L N -1.428 119.704 121.223 -0.151 0.000 2.083 105 L HA -0.107 4.233 4.340 0.000 0.000 0.209 105 L C 2.019 178.746 176.870 -0.238 0.000 1.083 105 L CA 1.705 56.409 54.840 -0.226 0.000 0.752 105 L CB -0.273 41.678 42.059 -0.179 0.000 0.899 105 L HN 0.109 nan 8.230 nan 0.000 0.433 106 V N -1.762 117.966 119.914 -0.310 0.000 3.307 106 V HA 0.029 4.149 4.120 0.000 0.000 0.253 106 V C 1.289 176.965 176.094 -0.696 0.000 1.149 106 V CA 0.967 62.923 62.300 -0.574 0.000 1.112 106 V CB -0.155 31.138 31.823 -0.883 0.000 0.777 106 V HN 0.341 nan 8.190 nan 0.000 0.464 107 F N 0.105 119.990 119.950 -0.109 0.000 2.752 107 F HA 0.513 5.040 4.527 0.000 0.000 0.310 107 F C 1.626 177.389 175.800 -0.062 0.000 1.097 107 F CA -0.038 57.924 58.000 -0.064 0.000 1.238 107 F CB -0.269 38.705 39.000 -0.043 0.000 1.061 107 F HN 0.109 nan 8.300 nan 0.000 0.591 108 G N 0.599 109.437 108.800 0.064 0.000 2.599 108 G HA2 0.384 4.344 3.960 0.000 0.000 0.264 108 G HA3 0.384 4.344 3.960 0.000 0.000 0.264 108 G C 0.022 174.920 174.900 -0.003 0.000 1.200 108 G CA -0.180 44.933 45.100 0.021 0.000 0.896 108 G HN 0.108 nan 8.290 nan 0.000 0.536 109 T N -3.177 111.379 114.554 0.003 0.000 2.899 109 T HA 0.466 4.816 4.350 0.000 0.000 0.295 109 T C 1.502 176.191 174.700 -0.018 0.000 1.033 109 T CA 0.680 62.780 62.100 0.001 0.000 1.084 109 T CB 1.243 70.116 68.868 0.009 0.000 0.979 109 T HN 0.799 nan 8.240 nan 0.000 0.532 110 E N 1.088 121.294 120.200 0.010 0.000 2.118 110 E HA -0.087 4.263 4.350 0.000 0.000 0.195 110 E C 2.353 178.962 176.600 0.014 0.000 0.992 110 E CA 2.207 58.633 56.400 0.044 0.000 0.804 110 E CB -1.750 28.001 29.700 0.085 0.000 0.741 110 E HN 1.024 nan 8.360 nan 0.000 0.458 111 E N 0.486 120.679 120.200 -0.011 0.000 2.110 111 E HA -0.268 4.083 4.350 0.000 0.000 0.193 111 E C 2.082 178.613 176.600 -0.116 0.000 0.988 111 E CA 1.446 57.815 56.400 -0.051 0.000 0.804 111 E CB -0.644 29.028 29.700 -0.047 0.000 0.745 111 E HN 0.784 nan 8.360 nan 0.000 0.458 112 Q N -0.490 119.261 119.800 -0.081 0.000 2.079 112 Q HA -0.106 4.234 4.340 0.000 0.000 0.200 112 Q C 2.513 178.455 176.000 -0.096 0.000 0.974 112 Q CA 1.589 57.359 55.803 -0.055 0.000 0.840 112 Q CB -0.073 28.720 28.738 0.091 0.000 0.898 112 Q HN 0.486 nan 8.270 nan 0.000 0.430 113 K N 0.587 120.875 120.400 -0.187 0.000 2.032 113 K HA -0.207 4.113 4.320 0.000 0.000 0.209 113 K C 2.489 178.875 176.600 -0.357 0.000 1.048 113 K CA 1.864 57.890 56.287 -0.434 0.000 0.927 113 K CB -0.276 31.727 32.500 -0.827 0.000 0.712 113 K HN 0.104 nan 8.250 nan 0.000 0.441 114 K N 1.753 122.063 120.400 -0.150 0.000 2.063 114 K HA -0.202 4.118 4.320 0.000 0.000 0.208 114 K C 2.011 178.541 176.600 -0.117 0.000 1.048 114 K CA 1.861 58.154 56.287 0.010 0.000 0.928 114 K CB -0.676 31.849 32.500 0.042 0.000 0.713 114 K HN 0.216 nan 8.250 nan 0.000 0.442 115 R N -1.786 118.531 120.500 -0.304 0.000 2.082 115 R HA -0.094 4.246 4.340 0.000 0.000 0.234 115 R C 2.244 178.289 176.300 -0.425 0.000 1.136 115 R CA 2.036 57.794 56.100 -0.569 0.000 0.935 115 R CB -0.131 29.415 30.300 -1.257 0.000 0.842 115 R HN 0.737 nan 8.270 nan 0.000 0.430 116 W N -0.764 120.460 121.300 -0.126 0.000 2.866 116 W HA 0.218 4.878 4.660 0.000 0.000 0.258 116 W C 1.788 178.181 176.519 -0.210 0.000 1.183 116 W CA -0.319 56.922 57.345 -0.173 0.000 1.451 116 W CB -0.483 28.847 29.460 -0.217 0.000 0.959 116 W HN 0.056 nan 8.180 nan 0.000 0.622 117 L N 0.733 121.938 121.223 -0.029 0.000 2.042 117 L HA -0.172 4.168 4.340 0.000 0.000 0.210 117 L C -0.380 176.494 176.870 0.008 0.000 1.076 117 L CA 1.732 56.506 54.840 -0.110 0.000 0.749 117 L CB -1.834 40.023 42.059 -0.337 0.000 0.893 117 L HN -0.200 nan 8.230 nan 0.000 0.432 118 P HA -0.118 nan 4.420 nan 0.000 0.217 118 P C 1.490 178.841 177.300 0.086 0.000 1.150 118 P CA 1.556 64.728 63.100 0.120 0.000 0.832 118 P CB -0.153 31.627 31.700 0.134 0.000 0.787 119 G N -0.775 108.065 108.800 0.067 0.000 2.408 119 G HA2 -0.230 3.730 3.960 0.000 0.000 0.217 119 G HA3 -0.230 3.730 3.960 0.000 0.000 0.217 119 G C 1.413 176.359 174.900 0.077 0.000 1.150 119 G CA 0.754 45.896 45.100 0.071 0.000 0.776 119 G HN 0.201 nan 8.290 nan 0.000 0.542 120 M N -0.022 119.589 119.600 0.019 0.000 2.159 120 M HA 0.110 4.590 4.480 0.000 0.000 0.263 120 M C 1.914 178.342 176.300 0.213 0.000 1.063 120 M CA 1.146 56.486 55.300 0.067 0.000 1.110 120 M CB -0.194 32.291 32.600 -0.192 0.000 1.374 120 M HN 0.083 nan 8.290 nan 0.000 0.411 121 L N -0.501 120.808 121.223 0.143 0.000 2.611 121 L HA 0.111 4.452 4.340 0.000 0.000 0.229 121 L C 2.240 179.191 176.870 0.134 0.000 1.137 121 L CA -0.051 54.888 54.840 0.165 0.000 0.901 121 L CB -0.607 41.531 42.059 0.131 0.000 1.098 121 L HN 0.325 nan 8.230 nan 0.000 0.456 122 S N -0.359 115.413 115.700 0.120 0.000 2.428 122 S HA 0.026 4.496 4.470 0.000 0.000 0.230 122 S C 1.681 176.326 174.600 0.075 0.000 1.014 122 S CA 0.882 59.135 58.200 0.089 0.000 0.957 122 S CB 0.153 63.401 63.200 0.080 0.000 0.784 122 S HN 0.531 nan 8.310 nan 0.000 0.499 123 G N -0.395 108.451 108.800 0.076 0.000 2.201 123 G HA2 -0.153 3.807 3.960 0.000 0.000 0.212 123 G HA3 -0.153 3.807 3.960 0.000 0.000 0.212 123 G C 0.654 175.573 174.900 0.031 0.000 0.994 123 G CA 0.908 46.034 45.100 0.044 0.000 0.644 123 G HN 0.979 nan 8.290 nan 0.000 0.508 124 E N -0.073 120.154 120.200 0.045 0.000 2.431 124 E HA 0.445 4.795 4.350 0.000 0.000 0.200 124 E C 1.068 177.686 176.600 0.030 0.000 0.995 124 E CA 1.107 57.531 56.400 0.040 0.000 0.915 124 E CB -0.045 29.684 29.700 0.048 0.000 0.930 124 E HN 0.688 nan 8.360 nan 0.000 0.496 125 Q N -0.958 118.875 119.800 0.056 0.000 2.193 125 Q HA 0.726 5.066 4.340 0.000 0.000 0.246 125 Q C -0.831 175.148 176.000 -0.034 0.000 0.959 125 Q CA -0.663 55.193 55.803 0.088 0.000 0.904 125 Q CB 2.132 31.028 28.738 0.264 0.000 1.238 125 Q HN 0.406 nan 8.270 nan 0.000 0.469 126 I N 0.240 120.721 120.570 -0.148 0.000 2.499 126 I HA 0.425 4.595 4.170 0.000 0.000 0.288 126 I C -0.022 175.720 176.117 -0.626 0.000 1.048 126 I CA -0.674 60.386 61.300 -0.399 0.000 1.062 126 I CB 2.142 39.689 38.000 -0.755 0.000 1.238 126 I HN 0.567 nan 8.210 nan 0.000 0.426 127 G N 3.711 112.218 108.800 -0.488 0.000 2.410 127 G HA2 0.832 4.792 3.960 0.000 0.000 0.330 127 G HA3 0.832 4.792 3.960 0.000 0.000 0.330 127 G C -0.999 173.513 174.900 -0.646 0.000 1.142 127 G CA -0.469 43.888 45.100 -1.239 0.000 0.902 127 G HN 0.796 nan 8.290 nan 0.000 0.491 128 A N 0.376 122.802 122.820 -0.656 0.000 2.479 128 A HA 0.784 5.104 4.320 0.000 0.000 0.296 128 A C -1.962 175.645 177.584 0.038 0.000 1.121 128 A CA -0.717 51.176 52.037 -0.240 0.000 0.743 128 A CB 1.776 20.618 19.000 -0.263 0.000 1.323 128 A HN 0.918 nan 8.150 nan 0.000 0.415 129 Y N 0.464 120.794 120.300 0.050 0.000 2.373 129 Y HA 0.603 5.153 4.550 0.000 0.000 0.336 129 Y C -0.173 175.858 175.900 0.218 0.000 0.979 129 Y CA -0.252 57.932 58.100 0.140 0.000 1.080 129 Y CB 2.124 40.649 38.460 0.108 0.000 1.190 129 Y HN 0.626 nan 8.280 nan 0.000 0.446 130 S N 6.894 122.610 115.700 0.027 0.000 2.718 130 S HA 0.447 4.917 4.470 0.000 0.000 0.294 130 S C -0.684 174.003 174.600 0.145 0.000 1.157 130 S CA -0.422 57.863 58.200 0.142 0.000 1.121 130 S CB 0.699 64.020 63.200 0.202 0.000 1.015 130 S HN 0.876 nan 8.310 nan 0.000 0.479 131 L N 4.494 125.806 121.223 0.149 0.000 2.688 131 L HA 0.570 4.910 4.340 0.000 0.000 0.216 131 L C 0.524 177.463 176.870 0.115 0.000 1.036 131 L CA 0.539 55.444 54.840 0.108 0.000 0.906 131 L CB 0.115 42.142 42.059 -0.055 0.000 1.501 131 L HN 0.516 nan 8.230 nan 0.000 0.489 132 S N 1.266 117.068 115.700 0.171 0.000 2.562 132 S HA 0.254 4.725 4.470 0.000 0.000 0.281 132 S C -0.266 174.449 174.600 0.192 0.000 1.333 132 S CA -0.192 58.135 58.200 0.210 0.000 1.052 132 S CB 0.398 63.803 63.200 0.343 0.000 0.884 132 S HN 0.293 nan 8.310 nan 0.000 0.506 133 E N 1.631 121.931 120.200 0.167 0.000 2.378 133 E HA 0.281 4.631 4.350 0.000 0.000 0.265 133 E C -1.958 174.723 176.600 0.135 0.000 0.932 133 E CA -2.238 54.231 56.400 0.115 0.000 0.795 133 E CB 0.886 30.634 29.700 0.081 0.000 1.296 133 E HN 0.204 nan 8.360 nan 0.000 0.438 134 P HA -0.211 nan 4.420 nan 0.000 0.216 134 P C 1.010 178.382 177.300 0.119 0.000 1.150 134 P CA 1.305 64.460 63.100 0.091 0.000 0.837 134 P CB 0.203 31.915 31.700 0.020 0.000 0.786 135 Q N -0.071 119.780 119.800 0.086 0.000 2.322 135 Q HA 0.263 4.603 4.340 0.000 0.000 0.203 135 Q C -0.150 175.897 176.000 0.078 0.000 0.923 135 Q CA -0.006 55.841 55.803 0.074 0.000 0.949 135 Q CB -0.116 28.652 28.738 0.051 0.000 1.039 135 Q HN 0.096 nan 8.270 nan 0.000 0.496 136 A N -0.480 122.401 122.820 0.102 0.000 2.686 136 A HA 0.616 4.936 4.320 0.000 0.000 0.299 136 A C 0.148 177.804 177.584 0.120 0.000 1.151 136 A CA -0.170 51.920 52.037 0.090 0.000 0.851 136 A CB 0.519 19.558 19.000 0.065 0.000 1.448 136 A HN 0.240 nan 8.150 nan 0.000 0.404 137 G N 0.300 109.169 108.800 0.115 0.000 2.764 137 G HA2 0.248 4.209 3.960 0.000 0.000 0.218 137 G HA3 0.248 4.209 3.960 0.000 0.000 0.218 137 G C 1.463 176.399 174.900 0.060 0.000 1.304 137 G CA 1.190 46.355 45.100 0.108 0.000 0.847 137 G HN 0.616 nan 8.290 nan 0.000 0.610 138 S N 0.613 116.338 115.700 0.041 0.000 2.370 138 S HA -0.084 4.386 4.470 0.000 0.000 0.226 138 S C 0.905 175.522 174.600 0.028 0.000 1.033 138 S CA 1.231 59.447 58.200 0.027 0.000 1.011 138 S CB -0.180 63.032 63.200 0.019 0.000 0.852 138 S HN 0.438 nan 8.310 nan 0.000 0.457 139 D N 0.572 120.991 120.400 0.032 0.000 2.441 139 D HA 0.550 5.191 4.640 0.000 0.000 0.221 139 D C 0.611 176.925 176.300 0.023 0.000 1.156 139 D CA 0.005 54.020 54.000 0.026 0.000 0.896 139 D CB 0.969 41.784 40.800 0.025 0.000 1.028 139 D HN 0.091 nan 8.370 nan 0.000 0.509 140 A N 3.972 126.799 122.820 0.012 0.000 1.855 140 A HA 0.013 4.333 4.320 0.000 0.000 0.215 140 A C 2.122 179.700 177.584 -0.009 0.000 1.191 140 A CA 1.459 53.492 52.037 -0.007 0.000 0.613 140 A CB -0.784 18.196 19.000 -0.034 0.000 0.829 140 A HN 0.625 nan 8.150 nan 0.000 0.442 141 A N -0.338 122.478 122.820 -0.007 0.000 2.139 141 A HA 0.146 4.466 4.320 0.000 0.000 0.221 141 A C 2.062 179.648 177.584 0.003 0.000 1.159 141 A CA 1.796 53.829 52.037 -0.007 0.000 0.662 141 A CB -0.735 18.260 19.000 -0.009 0.000 0.796 141 A HN 1.148 nan 8.150 nan 0.000 0.463 142 A N -0.540 122.287 122.820 0.011 0.000 2.302 142 A HA 0.454 4.774 4.320 0.000 0.000 0.219 142 A C 0.808 178.406 177.584 0.022 0.000 1.243 142 A CA 0.045 52.092 52.037 0.017 0.000 0.856 142 A CB -0.929 18.084 19.000 0.022 0.000 0.893 142 A HN 0.784 nan 8.150 nan 0.000 0.491 143 L N -3.719 117.516 121.223 0.021 0.000 2.473 143 L HA 0.560 4.900 4.340 0.000 0.000 0.268 143 L C 0.727 177.610 176.870 0.021 0.000 1.215 143 L CA 0.423 55.280 54.840 0.028 0.000 0.823 143 L CB 0.177 42.255 42.059 0.031 0.000 1.099 143 L HN 0.097 nan 8.230 nan 0.000 0.483 144 R N 0.104 120.617 120.500 0.021 0.000 2.551 144 R HA 0.260 4.600 4.340 0.000 0.000 0.316 144 R C -0.311 175.987 176.300 -0.003 0.000 0.934 144 R CA -0.230 55.877 56.100 0.012 0.000 1.117 144 R CB 0.303 30.613 30.300 0.017 0.000 1.626 144 R HN 0.829 nan 8.270 nan 0.000 0.513 145 C N 2.521 121.815 119.300 -0.011 0.000 2.517 145 C HA 0.325 4.786 4.460 0.000 0.000 0.403 145 C C 0.833 175.770 174.990 -0.089 0.000 1.467 145 C CA -0.291 58.694 59.018 -0.055 0.000 1.542 145 C CB -0.758 26.933 27.740 -0.082 0.000 2.482 145 C HN 0.442 nan 8.230 nan 0.000 0.610 146 A N 5.470 128.228 122.820 -0.103 0.000 2.274 146 A HA 0.704 5.024 4.320 0.000 0.000 0.309 146 A C 0.044 177.536 177.584 -0.154 0.000 1.226 146 A CA 0.008 51.989 52.037 -0.093 0.000 0.853 146 A CB 0.612 19.578 19.000 -0.056 0.000 1.146 146 A HN 1.636 nan 8.150 nan 0.000 0.518 147 A N 2.589 125.333 122.820 -0.127 0.000 2.293 147 A HA 0.634 4.954 4.320 0.000 0.000 0.312 147 A C 0.055 177.665 177.584 0.044 0.000 1.309 147 A CA -0.138 51.812 52.037 -0.146 0.000 0.839 147 A CB 0.398 19.213 19.000 -0.309 0.000 1.155 147 A HN 1.101 nan 8.150 nan 0.000 0.501 148 T N 4.016 118.608 114.554 0.064 0.000 2.794 148 T HA 0.649 4.999 4.350 0.000 0.000 0.280 148 T C -2.832 171.940 174.700 0.120 0.000 0.987 148 T CA -2.200 59.959 62.100 0.100 0.000 0.993 148 T CB 1.071 69.955 68.868 0.026 0.000 0.939 148 T HN 0.406 nan 8.240 nan 0.000 0.449 149 P HA 0.242 nan 4.420 nan 0.000 0.271 149 P C -0.209 177.001 177.300 -0.151 0.000 1.216 149 P CA -0.040 62.961 63.100 -0.164 0.000 0.771 149 P CB 0.752 32.363 31.700 -0.148 0.000 0.864 150 T N -2.256 112.168 114.554 -0.217 0.000 2.807 150 T HA 0.528 4.879 4.350 0.000 0.000 0.277 150 T C -0.048 174.565 174.700 -0.145 0.000 1.006 150 T CA -0.519 61.501 62.100 -0.133 0.000 1.006 150 T CB -0.036 68.778 68.868 -0.090 0.000 1.274 150 T HN 0.308 nan 8.240 nan 0.000 0.569 151 D N -0.539 119.806 120.400 -0.092 0.000 2.389 151 D HA 0.424 5.064 4.640 0.000 0.000 0.263 151 D C 1.422 177.676 176.300 -0.077 0.000 1.255 151 D CA 0.119 54.073 54.000 -0.075 0.000 0.914 151 D CB -1.304 39.467 40.800 -0.048 0.000 1.116 151 D HN 1.880 nan 8.370 nan 0.000 0.502 152 G N 1.371 110.120 108.800 -0.085 0.000 2.323 152 G HA2 0.328 4.288 3.960 0.000 0.000 0.292 152 G HA3 0.328 4.288 3.960 0.000 0.000 0.292 152 G C 0.878 175.735 174.900 -0.070 0.000 1.040 152 G CA 1.070 46.131 45.100 -0.065 0.000 0.942 152 G HN 2.115 nan 8.290 nan 0.000 0.506 153 G N -1.589 107.108 108.800 -0.171 0.000 2.399 153 G HA2 0.617 4.577 3.960 0.000 0.000 0.256 153 G HA3 0.617 4.577 3.960 0.000 0.000 0.256 153 G C -1.310 173.341 174.900 -0.415 0.000 1.236 153 G CA -0.217 44.798 45.100 -0.142 0.000 0.914 153 G HN 0.804 nan 8.290 nan 0.000 0.482 154 Y N -1.947 118.342 120.300 -0.019 0.000 2.597 154 Y HA 0.654 5.205 4.550 0.000 0.000 0.340 154 Y C -0.448 175.375 175.900 -0.128 0.000 1.097 154 Y CA -0.845 57.213 58.100 -0.070 0.000 1.037 154 Y CB 2.519 40.916 38.460 -0.106 0.000 1.305 154 Y HN 0.499 nan 8.280 nan 0.000 0.463 155 V N 4.347 124.278 119.914 0.027 0.000 2.448 155 V HA 0.554 4.674 4.120 0.000 0.000 0.295 155 V C -0.871 175.151 176.094 -0.120 0.000 1.025 155 V CA -0.686 61.580 62.300 -0.056 0.000 0.859 155 V CB 0.952 32.745 31.823 -0.050 0.000 0.988 155 V HN 0.605 nan 8.190 nan 0.000 0.431 156 I N 7.473 127.924 120.570 -0.199 0.000 2.312 156 I HA 0.485 4.656 4.170 0.000 0.000 0.290 156 I C -0.119 175.866 176.117 -0.220 0.000 1.008 156 I CA -0.221 60.896 61.300 -0.305 0.000 1.226 156 I CB 1.010 38.674 38.000 -0.560 0.000 1.371 156 I HN 0.517 nan 8.210 nan 0.000 0.468 157 N N 5.917 124.501 118.700 -0.194 0.000 2.483 157 N HA 0.717 5.457 4.740 0.000 0.000 0.267 157 N C -0.151 175.279 175.510 -0.134 0.000 0.998 157 N CA -0.267 52.683 53.050 -0.167 0.000 0.918 157 N CB 2.466 40.888 38.487 -0.108 0.000 1.215 157 N HN 0.928 nan 8.380 nan 0.000 0.500 158 G N 0.275 108.991 108.800 -0.141 0.000 2.345 158 G HA2 0.148 4.108 3.960 0.000 0.000 0.285 158 G HA3 0.148 4.108 3.960 0.000 0.000 0.285 158 G C -1.686 173.279 174.900 0.107 0.000 1.297 158 G CA -0.509 44.590 45.100 -0.003 0.000 0.875 158 G HN 0.309 nan 8.290 nan 0.000 0.506 159 S N 0.136 115.926 115.700 0.150 0.000 2.513 159 S HA 0.820 5.291 4.470 0.000 0.000 0.299 159 S C -0.607 174.059 174.600 0.111 0.000 1.087 159 S CA -0.771 57.533 58.200 0.174 0.000 1.012 159 S CB 1.888 65.175 63.200 0.145 0.000 1.044 159 S HN 0.586 nan 8.310 nan 0.000 0.485 160 K N 1.320 121.780 120.400 0.101 0.000 2.443 160 K HA 0.737 5.057 4.320 0.000 0.000 0.251 160 K C -0.685 175.934 176.600 0.032 0.000 0.972 160 K CA -0.691 55.649 56.287 0.088 0.000 0.833 160 K CB 2.020 34.604 32.500 0.140 0.000 1.317 160 K HN 0.798 nan 8.250 nan 0.000 0.441 161 S N -1.569 114.148 115.700 0.027 0.000 2.651 161 S HA 0.566 5.037 4.470 0.000 0.000 0.279 161 S C -1.033 173.596 174.600 0.047 0.000 1.148 161 S CA -0.897 57.225 58.200 -0.131 0.000 0.837 161 S CB 0.702 63.639 63.200 -0.439 0.000 1.138 161 S HN 0.779 nan 8.310 nan 0.000 0.478 162 W N -0.369 121.002 121.300 0.118 0.000 5.563 162 W HA -0.145 4.515 4.660 0.000 0.000 0.396 162 W C -0.607 175.995 176.519 0.139 0.000 1.519 162 W CA -0.275 57.145 57.345 0.125 0.000 0.953 162 W CB -1.753 27.783 29.460 0.126 0.000 2.691 162 W HN 0.532 nan 8.180 nan 0.000 1.444 163 I N 1.366 122.107 120.570 0.286 0.000 2.291 163 I HA 0.110 4.280 4.170 0.000 0.000 0.292 163 I C 1.151 177.397 176.117 0.215 0.000 1.064 163 I CA -0.317 61.142 61.300 0.264 0.000 1.269 163 I CB 0.506 38.676 38.000 0.284 0.000 1.418 163 I HN -0.125 nan 8.210 nan 0.000 0.485 164 T N 5.074 119.741 114.554 0.188 0.000 2.871 164 T HA -0.022 4.328 4.350 0.000 0.000 0.296 164 T C 0.769 175.539 174.700 0.118 0.000 0.998 164 T CA 0.802 62.969 62.100 0.113 0.000 1.162 164 T CB -0.248 68.654 68.868 0.057 0.000 0.947 164 T HN 0.758 nan 8.240 nan 0.000 0.536 165 H N -0.285 118.777 119.070 -0.012 0.000 3.237 165 H HA -0.153 4.403 4.556 0.000 0.000 0.231 165 H C 1.127 176.371 175.328 -0.140 0.000 1.148 165 H CA 0.244 56.229 56.048 -0.105 0.000 1.155 165 H CB -1.071 28.567 29.762 -0.208 0.000 1.210 165 H HN 0.886 nan 8.280 nan 0.000 0.317 166 G N 0.157 108.983 108.800 0.042 0.000 2.202 166 G HA2 0.302 4.262 3.960 0.000 0.000 0.251 166 G HA3 0.302 4.262 3.960 0.000 0.000 0.251 166 G C 1.183 175.811 174.900 -0.453 0.000 1.219 166 G CA 0.332 45.364 45.100 -0.112 0.000 0.943 166 G HN 1.110 nan 8.290 nan 0.000 0.465 167 G N 2.016 110.166 108.800 -1.083 0.000 2.157 167 G HA2 -0.222 3.738 3.960 0.000 0.000 0.248 167 G HA3 -0.222 3.738 3.960 0.000 0.000 0.248 167 G C 0.907 175.553 174.900 -0.423 0.000 0.979 167 G CA 0.665 45.205 45.100 -0.933 0.000 0.650 167 G HN 0.738 nan 8.290 nan 0.000 0.529 168 K N -0.926 119.276 120.400 -0.329 0.000 2.585 168 K HA 0.520 4.840 4.320 0.000 0.000 0.210 168 K C 0.910 177.288 176.600 -0.369 0.000 1.294 168 K CA 0.575 56.677 56.287 -0.308 0.000 1.025 168 K CB 1.160 33.454 32.500 -0.344 0.000 1.076 168 K HN 0.747 nan 8.250 nan 0.000 0.613 169 A N 1.243 123.805 122.820 -0.431 0.000 2.286 169 A HA 0.318 4.638 4.320 0.000 0.000 0.286 169 A C 0.436 177.740 177.584 -0.466 0.000 1.097 169 A CA -0.227 51.414 52.037 -0.659 0.000 0.821 169 A CB 0.497 18.883 19.000 -1.024 0.000 1.076 169 A HN -0.002 nan 8.150 nan 0.000 0.490 170 D N -0.615 119.536 120.400 -0.415 0.000 2.305 170 D HA 0.160 4.800 4.640 0.000 0.000 0.206 170 D C -0.141 176.171 176.300 0.021 0.000 0.974 170 D CA 1.326 55.261 54.000 -0.108 0.000 0.871 170 D CB 0.046 40.874 40.800 0.046 0.000 0.947 170 D HN 0.516 nan 8.370 nan 0.000 0.516 171 F N -1.319 118.450 119.950 -0.303 0.000 2.668 171 F HA 0.587 5.114 4.527 0.000 0.000 0.309 171 F C -1.793 173.749 175.800 -0.430 0.000 1.117 171 F CA -1.537 56.328 58.000 -0.225 0.000 0.951 171 F CB 0.865 39.758 39.000 -0.178 0.000 1.323 171 F HN -0.348 nan 8.300 nan 0.000 0.451 172 Y N 0.135 120.498 120.300 0.105 0.000 2.373 172 Y HA 0.521 5.071 4.550 0.000 0.000 0.336 172 Y C -0.267 175.671 175.900 0.063 0.000 0.979 172 Y CA -1.141 56.987 58.100 0.047 0.000 1.080 172 Y CB 2.588 41.104 38.460 0.093 0.000 1.190 172 Y HN 0.701 nan 8.280 nan 0.000 0.446 173 T N 5.289 119.929 114.554 0.144 0.000 2.727 173 T HA 0.349 4.699 4.350 0.000 0.000 0.298 173 T C -0.740 173.852 174.700 -0.181 0.000 0.942 173 T CA -0.267 61.813 62.100 -0.034 0.000 0.997 173 T CB -0.050 68.821 68.868 0.005 0.000 0.917 173 T HN 0.328 nan 8.240 nan 0.000 0.487 174 L N 4.320 125.398 121.223 -0.242 0.000 2.331 174 L HA 0.724 5.065 4.340 0.000 0.000 0.275 174 L C -1.475 175.100 176.870 -0.493 0.000 1.022 174 L CA -0.671 54.039 54.840 -0.216 0.000 0.812 174 L CB 0.791 42.790 42.059 -0.099 0.000 1.257 174 L HN 0.482 nan 8.230 nan 0.000 0.435 175 F N 4.247 124.150 119.950 -0.079 0.000 2.460 175 F HA 0.788 5.315 4.527 0.000 0.000 0.341 175 F C 0.260 176.025 175.800 -0.059 0.000 1.130 175 F CA -0.272 57.688 58.000 -0.066 0.000 0.962 175 F CB 1.662 40.603 39.000 -0.098 0.000 1.171 175 F HN 0.662 nan 8.300 nan 0.000 0.436 176 A N 3.409 126.291 122.820 0.103 0.000 2.469 176 A HA 0.807 5.127 4.320 0.000 0.000 0.299 176 A C -0.966 176.638 177.584 0.032 0.000 1.098 176 A CA -1.043 50.996 52.037 0.003 0.000 0.737 176 A CB 1.572 20.468 19.000 -0.174 0.000 1.312 176 A HN 0.740 nan 8.150 nan 0.000 0.414 177 R N 0.339 120.837 120.500 -0.004 0.000 2.265 177 R HA 0.397 4.737 4.340 0.000 0.000 0.314 177 R C 0.749 177.058 176.300 0.014 0.000 1.053 177 R CA 0.683 56.788 56.100 0.009 0.000 0.931 177 R CB 0.537 30.839 30.300 0.003 0.000 1.024 177 R HN 0.866 nan 8.270 nan 0.000 0.457 178 T N 0.014 114.587 114.554 0.032 0.000 2.969 178 T HA 0.329 4.679 4.350 0.000 0.000 0.250 178 T C 0.737 175.468 174.700 0.051 0.000 1.021 178 T CA 0.163 62.299 62.100 0.060 0.000 1.003 178 T CB 0.824 69.741 68.868 0.082 0.000 1.040 178 T HN 0.564 nan 8.240 nan 0.000 0.492 183 R N 1.819 122.310 120.500 -0.015 0.000 3.732 183 R HA 0.715 5.055 4.340 0.000 0.000 0.258 183 R C 1.218 177.514 176.300 -0.006 0.000 1.661 183 R CA 0.365 56.457 56.100 -0.014 0.000 1.424 183 R CB -1.238 29.054 30.300 -0.013 0.000 1.308 183 R HN 0.891 nan 8.270 nan 0.000 0.634 184 G N -0.427 108.372 108.800 -0.002 0.000 3.337 184 G HA2 0.400 4.360 3.960 0.000 0.000 0.246 184 G HA3 0.400 4.360 3.960 0.000 0.000 0.246 184 G C -0.176 174.730 174.900 0.010 0.000 1.131 184 G CA 0.247 45.351 45.100 0.006 0.000 0.773 184 G HN 0.363 nan 8.290 nan 0.000 0.544 185 V N 0.371 120.289 119.914 0.006 0.000 2.628 185 V HA 0.708 4.828 4.120 0.000 0.000 0.306 185 V C -0.299 175.794 176.094 -0.002 0.000 1.045 185 V CA -0.587 61.727 62.300 0.022 0.000 0.905 185 V CB 1.824 33.671 31.823 0.039 0.000 0.997 185 V HN 0.120 nan 8.190 nan 0.000 0.436 186 S N 1.284 116.973 115.700 -0.018 0.000 2.599 186 S HA 0.558 5.028 4.470 0.000 0.000 0.287 186 S C -0.907 173.531 174.600 -0.270 0.000 1.105 186 S CA -0.462 57.627 58.200 -0.186 0.000 0.899 186 S CB 2.005 64.999 63.200 -0.344 0.000 1.100 186 S HN 0.936 nan 8.310 nan 0.000 0.482 187 C N 2.376 121.362 119.300 -0.524 0.000 2.358 187 C HA 0.865 5.325 4.460 0.000 0.000 0.342 187 C C -1.462 172.986 174.990 -0.903 0.000 1.234 187 C CA -0.560 58.041 59.018 -0.694 0.000 1.969 187 C CB -0.889 26.495 27.740 -0.593 0.000 2.346 187 C HN 0.702 nan 8.230 nan 0.000 0.525 188 F N 4.407 124.085 119.950 -0.454 0.000 2.569 188 F HA 0.520 5.047 4.527 0.000 0.000 0.312 188 F C -0.339 175.292 175.800 -0.282 0.000 1.109 188 F CA -0.721 57.081 58.000 -0.328 0.000 0.919 188 F CB 1.598 40.409 39.000 -0.316 0.000 1.211 188 F HN 0.404 nan 8.300 nan 0.000 0.446 189 L N 4.607 125.779 121.223 -0.085 0.000 2.255 189 L HA 0.644 4.985 4.340 0.000 0.000 0.289 189 L C -1.087 175.712 176.870 -0.118 0.000 1.046 189 L CA -0.280 54.462 54.840 -0.163 0.000 0.816 189 L CB 0.592 42.416 42.059 -0.391 0.000 1.197 189 L HN 0.379 nan 8.230 nan 0.000 0.427 190 V N 8.148 128.074 119.914 0.019 0.000 2.370 190 V HA 0.505 4.625 4.120 0.000 0.000 0.283 190 V C -1.942 174.243 176.094 0.151 0.000 1.023 190 V CA -1.386 60.964 62.300 0.084 0.000 0.857 190 V CB 1.297 33.218 31.823 0.164 0.000 0.985 190 V HN 0.692 nan 8.190 nan 0.000 0.443 191 P HA 0.232 nan 4.420 nan 0.000 0.276 191 P C 0.409 177.834 177.300 0.207 0.000 1.244 191 P CA -0.379 62.795 63.100 0.123 0.000 0.801 191 P CB 1.451 33.188 31.700 0.062 0.000 1.006 192 A N 1.581 124.536 122.820 0.225 0.000 2.121 192 A HA -0.116 4.204 4.320 0.000 0.000 0.218 192 A C 1.220 178.899 177.584 0.160 0.000 1.154 192 A CA 1.373 53.569 52.037 0.265 0.000 0.679 192 A CB -0.958 18.160 19.000 0.197 0.000 0.795 192 A HN 0.654 nan 8.150 nan 0.000 0.458 193 D N -1.010 119.454 120.400 0.107 0.000 2.368 193 D HA 0.070 4.710 4.640 0.000 0.000 0.218 193 D C 0.584 176.907 176.300 0.038 0.000 1.112 193 D CA -0.265 53.775 54.000 0.066 0.000 0.834 193 D CB -0.475 40.361 40.800 0.061 0.000 0.953 193 D HN 0.387 nan 8.370 nan 0.000 0.505 194 Q N 2.416 122.237 119.800 0.034 0.000 2.283 194 Q HA 0.100 4.440 4.340 0.000 0.000 0.301 194 Q C -2.453 173.523 176.000 -0.041 0.000 1.063 194 Q CA -0.665 55.138 55.803 0.001 0.000 0.952 194 Q CB 0.702 29.439 28.738 -0.001 0.000 1.166 194 Q HN -0.014 nan 8.270 nan 0.000 0.381 195 P HA 0.280 nan 4.420 nan 0.000 0.285 195 P C 0.059 177.308 177.300 -0.083 0.000 1.259 195 P CA 0.406 63.477 63.100 -0.050 0.000 0.794 195 P CB 1.285 32.969 31.700 -0.027 0.000 0.940 196 G N 1.535 110.269 108.800 -0.110 0.000 2.175 196 G HA2 -0.218 3.742 3.960 0.000 0.000 0.244 196 G HA3 -0.218 3.742 3.960 0.000 0.000 0.244 196 G C -0.382 174.346 174.900 -0.286 0.000 0.982 196 G CA -0.093 44.912 45.100 -0.158 0.000 0.641 196 G HN 0.603 nan 8.290 nan 0.000 0.527 197 L N 2.404 123.425 121.223 -0.337 0.000 2.275 197 L HA 0.826 5.166 4.340 0.000 0.000 0.288 197 L C 0.229 176.774 176.870 -0.542 0.000 1.046 197 L CA -0.140 54.331 54.840 -0.615 0.000 0.805 197 L CB 1.650 43.309 42.059 -0.668 0.000 1.193 197 L HN 0.780 nan 8.230 nan 0.000 0.426 198 S N 3.280 118.580 115.700 -0.666 0.000 2.588 198 S HA 0.769 5.239 4.470 0.000 0.000 0.275 198 S C -0.997 173.203 174.600 -0.668 0.000 1.130 198 S CA -0.692 57.231 58.200 -0.463 0.000 0.855 198 S CB 1.160 64.268 63.200 -0.153 0.000 1.116 198 S HN 0.347 nan 8.310 nan 0.000 0.472 199 F N 0.832 120.717 119.950 -0.109 0.000 2.507 199 F HA 0.709 5.237 4.527 0.000 0.000 0.325 199 F C 1.138 176.897 175.800 -0.067 0.000 1.116 199 F CA -0.392 57.549 58.000 -0.098 0.000 0.930 199 F CB 1.895 40.838 39.000 -0.095 0.000 1.146 199 F HN 1.003 nan 8.300 nan 0.000 0.447 200 G N 1.593 110.449 108.800 0.092 0.000 2.611 200 G HA2 0.244 4.204 3.960 0.000 0.000 0.273 200 G HA3 0.244 4.204 3.960 0.000 0.000 0.273 200 G C -0.609 174.317 174.900 0.043 0.000 1.305 200 G CA -0.806 44.310 45.100 0.026 0.000 1.010 200 G HN 0.723 nan 8.290 nan 0.000 0.509 201 K N 0.092 120.499 120.400 0.012 0.000 2.237 201 K HA 0.275 4.595 4.320 0.000 0.000 0.270 201 K C -2.499 174.116 176.600 0.025 0.000 1.015 201 K CA -1.023 55.275 56.287 0.018 0.000 0.949 201 K CB 0.704 33.208 32.500 0.008 0.000 0.976 201 K HN 0.055 nan 8.250 nan 0.000 0.472 202 P HA -0.038 nan 4.420 nan 0.000 0.262 202 P C -0.839 176.502 177.300 0.068 0.000 1.182 202 P CA 0.200 63.337 63.100 0.061 0.000 0.761 202 P CB 0.366 32.109 31.700 0.072 0.000 0.795 203 E N 2.634 122.886 120.200 0.087 0.000 2.502 203 E HA -0.068 4.282 4.350 0.000 0.000 0.261 203 E C -0.040 176.646 176.600 0.143 0.000 0.974 203 E CA 0.571 57.040 56.400 0.115 0.000 0.936 203 E CB 0.313 30.131 29.700 0.197 0.000 0.926 203 E HN 0.457 nan 8.360 nan 0.000 0.459 204 E N 2.824 123.100 120.200 0.127 0.000 1.996 204 E HA 0.121 4.471 4.350 0.000 0.000 0.280 204 E C -0.241 176.458 176.600 0.166 0.000 1.092 204 E CA -0.052 56.428 56.400 0.133 0.000 0.862 204 E CB 0.714 30.466 29.700 0.086 0.000 1.066 204 E HN 0.131 nan 8.360 nan 0.000 0.396 205 K N 2.169 122.701 120.400 0.220 0.000 2.211 205 K HA 0.294 4.615 4.320 0.000 0.000 0.237 205 K C 0.852 177.563 176.600 0.185 0.000 1.002 205 K CA -0.688 55.705 56.287 0.176 0.000 0.885 205 K CB 1.292 33.870 32.500 0.129 0.000 1.136 205 K HN 0.388 nan 8.250 nan 0.000 0.448 206 M N 0.337 119.986 119.600 0.082 0.000 2.279 206 M HA -0.071 4.409 4.480 0.000 0.000 0.264 206 M C 0.364 176.659 176.300 -0.008 0.000 1.062 206 M CA 1.735 57.069 55.300 0.056 0.000 1.099 206 M CB 0.198 32.801 32.600 0.005 0.000 1.394 206 M HN 0.824 nan 8.290 nan 0.000 0.426 207 G N -1.169 107.500 108.800 -0.217 0.000 2.548 207 G HA2 0.414 4.374 3.960 0.000 0.000 0.301 207 G HA3 0.414 4.374 3.960 0.000 0.000 0.301 207 G C -0.918 173.643 174.900 -0.565 0.000 1.349 207 G CA -0.614 44.163 45.100 -0.538 0.000 0.792 207 G HN 0.210 nan 8.290 nan 0.000 0.481 208 L N 0.078 121.068 121.223 -0.389 0.000 3.472 208 L HA -0.153 4.187 4.340 0.000 0.000 0.485 208 L C 1.145 177.987 176.870 -0.047 0.000 1.312 208 L CA 0.542 55.320 54.840 -0.102 0.000 0.869 208 L CB -1.518 40.532 42.059 -0.014 0.000 1.687 208 L HN 0.839 nan 8.230 nan 0.000 0.853 209 H N -1.111 118.054 119.070 0.158 0.000 2.482 209 H HA 0.209 4.765 4.556 0.000 0.000 0.286 209 H C 1.927 177.353 175.328 0.163 0.000 1.017 209 H CA 1.117 57.252 56.048 0.145 0.000 1.322 209 H CB 0.127 29.966 29.762 0.128 0.000 1.426 209 H HN 0.693 nan 8.280 nan 0.000 0.546 210 A N 1.466 124.477 122.820 0.319 0.000 1.858 210 A HA -0.053 4.267 4.320 0.000 0.000 0.216 210 A C 1.388 179.063 177.584 0.152 0.000 1.190 210 A CA 0.797 52.992 52.037 0.263 0.000 0.617 210 A CB -0.621 18.590 19.000 0.351 0.000 0.827 210 A HN 0.096 nan 8.150 nan 0.000 0.443 211 V N 2.815 122.758 119.914 0.049 0.000 2.461 211 V HA 0.270 4.391 4.120 0.000 0.000 0.275 211 V C -2.116 174.010 176.094 0.053 0.000 1.047 211 V CA -1.526 60.776 62.300 0.003 0.000 0.955 211 V CB 0.879 32.562 31.823 -0.232 0.000 0.988 211 V HN 0.388 nan 8.190 nan 0.000 0.471 212 P HA 0.301 nan 4.420 nan 0.000 0.277 212 P C -0.535 176.811 177.300 0.077 0.000 1.240 212 P CA -0.283 62.870 63.100 0.087 0.000 0.798 212 P CB 0.803 32.540 31.700 0.061 0.000 0.979 213 T N 1.339 115.968 114.554 0.124 0.000 2.786 213 T HA 0.570 4.920 4.350 0.000 0.000 0.283 213 T C -0.015 174.769 174.700 0.140 0.000 0.992 213 T CA -0.325 61.877 62.100 0.170 0.000 0.954 213 T CB 0.767 69.795 68.868 0.267 0.000 0.934 213 T HN 0.618 nan 8.240 nan 0.000 0.440 214 T N -0.321 114.306 114.554 0.122 0.000 2.883 214 T HA 0.757 5.107 4.350 0.000 0.000 0.296 214 T C 0.126 174.874 174.700 0.079 0.000 1.117 214 T CA -0.833 61.318 62.100 0.084 0.000 1.006 214 T CB 1.662 70.589 68.868 0.098 0.000 1.191 214 T HN 0.517 nan 8.240 nan 0.000 0.508 215 S N 0.744 116.456 115.700 0.020 0.000 2.669 215 S HA 0.818 5.288 4.470 0.000 0.000 0.270 215 S C 0.051 174.695 174.600 0.073 0.000 1.225 215 S CA -0.465 57.733 58.200 -0.002 0.000 0.991 215 S CB 0.663 63.803 63.200 -0.101 0.000 0.987 215 S HN 1.582 nan 8.310 nan 0.000 0.552 216 A N 0.652 123.465 122.820 -0.013 0.000 2.454 216 A HA 0.790 5.110 4.320 0.000 0.000 0.302 216 A C -1.459 176.042 177.584 -0.139 0.000 1.079 216 A CA -0.672 51.225 52.037 -0.234 0.000 0.731 216 A CB 1.167 19.932 19.000 -0.392 0.000 1.299 216 A HN 0.980 nan 8.150 nan 0.000 0.413 217 F N 1.269 120.914 119.950 -0.507 0.000 2.536 217 F HA 0.660 5.188 4.527 0.000 0.000 0.322 217 F C -1.758 173.769 175.800 -0.455 0.000 1.144 217 F CA -1.035 56.763 58.000 -0.337 0.000 0.924 217 F CB 1.309 40.166 39.000 -0.239 0.000 1.181 217 F HN 0.506 nan 8.300 nan 0.000 0.438 218 Y N 4.418 124.212 120.300 -0.844 0.000 2.353 218 Y HA 0.317 4.867 4.550 0.000 0.000 0.340 218 Y C -0.197 175.100 175.900 -1.005 0.000 0.972 218 Y CA -0.549 57.100 58.100 -0.752 0.000 1.157 218 Y CB 0.916 39.093 38.460 -0.471 0.000 1.157 218 Y HN 0.431 nan 8.280 nan 0.000 0.495 219 D N 4.385 124.402 120.400 -0.638 0.000 2.462 219 D HA 0.151 4.791 4.640 0.000 0.000 0.249 219 D C -0.441 175.736 176.300 -0.206 0.000 1.117 219 D CA -0.312 53.416 54.000 -0.453 0.000 0.900 219 D CB -0.043 40.595 40.800 -0.269 0.000 1.039 219 D HN 0.528 nan 8.370 nan 0.000 0.516 220 N N 1.989 120.592 118.700 -0.161 0.000 2.705 220 N HA -0.199 4.541 4.740 0.000 0.000 0.255 220 N C -0.792 174.664 175.510 -0.091 0.000 1.008 220 N CA 0.849 53.838 53.050 -0.101 0.000 0.742 220 N CB -0.816 37.631 38.487 -0.067 0.000 0.906 220 N HN 0.470 nan 8.380 nan 0.000 0.541 221 A N 0.447 123.210 122.820 -0.094 0.000 2.666 221 A HA 0.567 4.887 4.320 0.000 0.000 0.312 221 A C 1.111 178.652 177.584 -0.071 0.000 1.471 221 A CA 0.168 52.169 52.037 -0.060 0.000 1.134 221 A CB -0.054 18.969 19.000 0.039 0.000 1.129 221 A HN 0.582 nan 8.150 nan 0.000 0.539 222 R N 2.042 122.511 120.500 -0.053 0.000 2.442 222 R HA 0.600 4.940 4.340 0.000 0.000 0.291 222 R C -0.378 175.907 176.300 -0.026 0.000 1.069 222 R CA 0.246 56.322 56.100 -0.039 0.000 1.022 222 R CB 0.059 30.343 30.300 -0.026 0.000 0.976 222 R HN 0.946 nan 8.270 nan 0.000 0.443 223 I N 1.145 121.707 120.570 -0.013 0.000 2.647 223 I HA 0.281 4.451 4.170 0.000 0.000 0.295 223 I C -0.925 175.255 176.117 0.106 0.000 1.078 223 I CA -0.937 60.374 61.300 0.019 0.000 1.048 223 I CB 2.426 40.383 38.000 -0.072 0.000 1.239 223 I HN 0.836 nan 8.210 nan 0.000 0.421 224 D N 4.678 125.149 120.400 0.118 0.000 2.455 224 D HA 0.201 4.841 4.640 0.000 0.000 0.241 224 D C 0.972 177.412 176.300 0.234 0.000 1.138 224 D CA 0.599 54.684 54.000 0.143 0.000 0.877 224 D CB 1.722 42.603 40.800 0.135 0.000 1.187 224 D HN 0.592 nan 8.370 nan 0.000 0.451 225 A N 3.096 126.042 122.820 0.209 0.000 2.172 225 A HA -0.050 4.270 4.320 0.000 0.000 0.216 225 A C 1.854 179.581 177.584 0.238 0.000 1.154 225 A CA 1.781 53.998 52.037 0.301 0.000 0.701 225 A CB -0.839 18.236 19.000 0.125 0.000 0.789 225 A HN 0.752 nan 8.150 nan 0.000 0.465 226 D N -0.663 119.850 120.400 0.189 0.000 2.363 226 D HA -0.013 4.628 4.640 0.000 0.000 0.220 226 D C 1.919 178.362 176.300 0.239 0.000 0.994 226 D CA 0.638 54.747 54.000 0.182 0.000 0.890 226 D CB -0.354 40.542 40.800 0.161 0.000 0.906 226 D HN 0.360 nan 8.370 nan 0.000 0.530 227 R N -0.505 120.131 120.500 0.225 0.000 2.276 227 R HA 0.099 4.439 4.340 0.000 0.000 0.196 227 R C 1.209 177.531 176.300 0.037 0.000 0.961 227 R CA -0.241 55.943 56.100 0.140 0.000 1.024 227 R CB -0.172 30.208 30.300 0.134 0.000 0.940 227 R HN 0.341 nan 8.270 nan 0.000 0.480 228 R N 1.886 122.380 120.500 -0.010 0.000 2.522 228 R HA 0.037 4.377 4.340 0.000 0.000 0.284 228 R C -0.338 175.809 176.300 -0.255 0.000 1.032 228 R CA 0.146 56.015 56.100 -0.386 0.000 1.049 228 R CB 0.392 30.481 30.300 -0.352 0.000 0.956 228 R HN -0.136 nan 8.270 nan 0.000 0.422 229 I N 5.026 125.386 120.570 -0.349 0.000 2.304 229 I HA 0.290 4.460 4.170 0.000 0.000 0.291 229 I C 1.137 177.143 176.117 -0.186 0.000 1.018 229 I CA 0.507 61.690 61.300 -0.195 0.000 1.260 229 I CB 0.050 37.941 38.000 -0.181 0.000 1.390 229 I HN 0.993 nan 8.210 nan 0.000 0.475 230 G N 4.725 113.482 108.800 -0.072 0.000 2.741 230 G HA2 -0.052 3.908 3.960 0.000 0.000 0.222 230 G HA3 -0.052 3.908 3.960 0.000 0.000 0.222 230 G C -0.131 174.727 174.900 -0.069 0.000 1.364 230 G CA -0.065 45.014 45.100 -0.035 0.000 0.866 230 G HN 0.972 nan 8.290 nan 0.000 0.555 231 E N -0.141 120.036 120.200 -0.038 0.000 2.374 231 E HA 0.573 4.924 4.350 0.000 0.000 0.260 231 E C 0.629 177.191 176.600 -0.063 0.000 1.101 231 E CA 0.440 56.821 56.400 -0.030 0.000 0.907 231 E CB 0.464 30.164 29.700 -0.001 0.000 1.014 231 E HN 0.944 nan 8.360 nan 0.000 0.427 232 E N -0.044 120.138 120.200 -0.031 0.000 2.328 232 E HA 0.336 4.686 4.350 0.000 0.000 0.265 232 E C 0.827 177.415 176.600 -0.021 0.000 1.057 232 E CA 1.064 57.449 56.400 -0.025 0.000 0.916 232 E CB -0.230 29.501 29.700 0.053 0.000 0.993 232 E HN 1.047 nan 8.360 nan 0.000 0.446 233 G N 3.950 112.725 108.800 -0.041 0.000 2.144 233 G HA2 -0.297 3.663 3.960 0.000 0.000 0.218 233 G HA3 -0.297 3.663 3.960 0.000 0.000 0.218 233 G C 0.656 175.536 174.900 -0.034 0.000 0.988 233 G CA 0.366 45.450 45.100 -0.026 0.000 0.659 233 G HN 0.622 nan 8.290 nan 0.000 0.522 234 Q N -0.166 119.599 119.800 -0.059 0.000 2.384 234 Q HA 0.228 4.568 4.340 0.000 0.000 0.207 234 Q C 2.612 178.567 176.000 -0.075 0.000 0.904 234 Q CA 1.043 56.808 55.803 -0.064 0.000 0.933 234 Q CB -0.292 28.402 28.738 -0.073 0.000 1.077 234 Q HN 0.584 nan 8.270 nan 0.000 0.522 235 G N 1.592 110.364 108.800 -0.047 0.000 2.556 235 G HA2 -0.301 3.659 3.960 0.000 0.000 0.220 235 G HA3 -0.301 3.659 3.960 0.000 0.000 0.220 235 G C 1.282 176.220 174.900 0.064 0.000 1.156 235 G CA 0.820 45.959 45.100 0.064 0.000 0.766 235 G HN 0.326 nan 8.290 nan 0.000 0.583 236 L N -0.072 121.150 121.223 -0.001 0.000 2.141 236 L HA -0.081 4.259 4.340 0.000 0.000 0.209 236 L C 2.975 179.848 176.870 0.004 0.000 1.094 236 L CA 1.367 56.188 54.840 -0.032 0.000 0.763 236 L CB -0.348 41.686 42.059 -0.041 0.000 0.908 236 L HN 0.378 nan 8.230 nan 0.000 0.437 237 Q N 0.621 120.418 119.800 -0.006 0.000 2.119 237 Q HA -0.191 4.149 4.340 0.000 0.000 0.201 237 Q C 2.293 178.322 176.000 0.049 0.000 0.972 237 Q CA 1.401 57.229 55.803 0.041 0.000 0.847 237 Q CB 0.050 28.802 28.738 0.023 0.000 0.903 237 Q HN 0.536 nan 8.270 nan 0.000 0.433 238 I N 0.677 121.166 120.570 -0.136 0.000 2.179 238 I HA -0.244 3.926 4.170 0.000 0.000 0.242 238 I C 2.470 178.642 176.117 0.092 0.000 1.088 238 I CA 1.034 62.165 61.300 -0.282 0.000 1.357 238 I CB -0.479 37.286 38.000 -0.392 0.000 1.051 238 I HN 0.251 nan 8.210 nan 0.000 0.409 239 A N 0.527 123.379 122.820 0.054 0.000 1.933 239 A HA -0.249 4.071 4.320 0.000 0.000 0.218 239 A C 2.228 179.840 177.584 0.046 0.000 1.175 239 A CA 1.325 53.319 52.037 -0.072 0.000 0.628 239 A CB -0.945 17.736 19.000 -0.532 0.000 0.814 239 A HN 0.462 nan 8.150 nan 0.000 0.444 240 F N 1.673 121.597 119.950 -0.044 0.000 2.171 240 F HA -0.161 4.367 4.527 0.000 0.000 0.300 240 F C 2.643 178.457 175.800 0.023 0.000 1.090 240 F CA 1.883 59.871 58.000 -0.019 0.000 1.293 240 F CB -0.141 38.851 39.000 -0.013 0.000 1.013 240 F HN 0.307 nan 8.300 nan 0.000 0.486 241 S N -0.026 115.780 115.700 0.177 0.000 2.489 241 S HA 0.049 4.519 4.470 0.000 0.000 0.228 241 S C 1.969 176.583 174.600 0.024 0.000 0.995 241 S CA 0.514 58.829 58.200 0.191 0.000 0.934 241 S CB -0.629 62.902 63.200 0.552 0.000 0.771 241 S HN 0.343 nan 8.310 nan 0.000 0.522 242 A N 1.143 123.904 122.820 -0.099 0.000 2.169 242 A HA 0.423 4.743 4.320 0.000 0.000 0.212 242 A C 2.035 179.441 177.584 -0.296 0.000 1.153 242 A CA 0.173 51.975 52.037 -0.393 0.000 0.756 242 A CB -0.541 18.257 19.000 -0.337 0.000 0.813 242 A HN 0.539 nan 8.150 nan 0.000 0.471 243 L N -0.416 120.639 121.223 -0.281 0.000 1.994 243 L HA -0.213 4.127 4.340 0.000 0.000 0.208 243 L C 2.056 178.784 176.870 -0.237 0.000 1.071 243 L CA 1.572 56.250 54.840 -0.270 0.000 0.745 243 L CB -0.688 41.158 42.059 -0.355 0.000 0.892 243 L HN 0.252 nan 8.230 nan 0.000 0.431 244 D N -0.263 119.962 120.400 -0.292 0.000 2.116 244 D HA -0.170 4.470 4.640 0.000 0.000 0.193 244 D C 2.402 178.673 176.300 -0.048 0.000 0.998 244 D CA 1.579 55.414 54.000 -0.275 0.000 0.836 244 D CB -0.168 40.287 40.800 -0.574 0.000 0.951 244 D HN 0.150 nan 8.370 nan 0.000 0.449 245 S N -0.304 115.382 115.700 -0.022 0.000 2.368 245 S HA -0.048 4.422 4.470 0.000 0.000 0.224 245 S C 2.097 176.746 174.600 0.081 0.000 1.029 245 S CA 1.151 59.408 58.200 0.095 0.000 0.988 245 S CB -0.531 62.697 63.200 0.047 0.000 0.838 245 S HN 0.416 nan 8.310 nan 0.000 0.462 246 G N 1.634 110.398 108.800 -0.059 0.000 2.408 246 G HA2 -0.174 3.786 3.960 0.000 0.000 0.217 246 G HA3 -0.174 3.786 3.960 0.000 0.000 0.217 246 G C 1.472 176.338 174.900 -0.057 0.000 1.150 246 G CA 0.313 45.357 45.100 -0.093 0.000 0.776 246 G HN 0.398 nan 8.290 nan 0.000 0.542 247 R N -0.209 120.263 120.500 -0.047 0.000 2.096 247 R HA 0.097 4.437 4.340 0.000 0.000 0.235 247 R C 2.549 178.857 176.300 0.013 0.000 1.127 247 R CA 0.771 56.858 56.100 -0.023 0.000 0.968 247 R CB -0.385 29.892 30.300 -0.038 0.000 0.861 247 R HN 0.326 nan 8.270 nan 0.000 0.440 248 L N -0.480 120.784 121.223 0.067 0.000 2.027 248 L HA -0.058 4.283 4.340 0.000 0.000 0.206 248 L C 2.598 179.449 176.870 -0.031 0.000 1.074 248 L CA 1.309 56.203 54.840 0.090 0.000 0.745 248 L CB -1.072 41.140 42.059 0.254 0.000 0.898 248 L HN 0.356 nan 8.230 nan 0.000 0.433 249 G N 1.097 109.896 108.800 -0.002 0.000 2.599 249 G HA2 -0.312 3.648 3.960 0.000 0.000 0.219 249 G HA3 -0.312 3.648 3.960 0.000 0.000 0.219 249 G C 1.442 176.250 174.900 -0.153 0.000 1.193 249 G CA 1.056 46.092 45.100 -0.107 0.000 0.778 249 G HN 0.185 nan 8.290 nan 0.000 0.589 250 I N 1.941 122.455 120.570 -0.093 0.000 2.315 250 I HA -0.086 4.084 4.170 0.000 0.000 0.248 250 I C 3.283 179.361 176.117 -0.064 0.000 1.117 250 I CA 0.949 62.218 61.300 -0.051 0.000 1.404 250 I CB -1.427 36.585 38.000 0.019 0.000 1.071 250 I HN 0.281 nan 8.210 nan 0.000 0.419 251 A N 1.052 123.822 122.820 -0.084 0.000 1.908 251 A HA -0.184 4.136 4.320 0.000 0.000 0.218 251 A C 2.576 179.998 177.584 -0.270 0.000 1.181 251 A CA 2.219 54.199 52.037 -0.094 0.000 0.627 251 A CB -0.753 18.235 19.000 -0.019 0.000 0.818 251 A HN 0.417 nan 8.150 nan 0.000 0.445 252 A N -0.794 121.711 122.820 -0.525 0.000 1.898 252 A HA 0.062 4.382 4.320 0.000 0.000 0.216 252 A C 2.223 179.597 177.584 -0.349 0.000 1.181 252 A CA 1.620 53.194 52.037 -0.773 0.000 0.620 252 A CB -0.855 17.640 19.000 -0.841 0.000 0.819 252 A HN 0.383 nan 8.150 nan 0.000 0.442 253 V N -0.087 119.692 119.914 -0.225 0.000 2.343 253 V HA -0.253 3.868 4.120 0.000 0.000 0.247 253 V C 3.038 179.088 176.094 -0.074 0.000 1.051 253 V CA 1.984 64.213 62.300 -0.117 0.000 1.036 253 V CB -1.152 30.637 31.823 -0.057 0.000 0.654 253 V HN 0.605 nan 8.190 nan 0.000 0.451 254 A N -0.469 122.318 122.820 -0.056 0.000 1.930 254 A HA -0.189 4.131 4.320 0.000 0.000 0.217 254 A C 2.380 179.946 177.584 -0.030 0.000 1.175 254 A CA 2.251 54.271 52.037 -0.029 0.000 0.627 254 A CB -0.875 18.121 19.000 -0.006 0.000 0.815 254 A HN 0.499 nan 8.150 nan 0.000 0.443 255 T N -0.262 114.281 114.554 -0.020 0.000 2.788 255 T HA -0.054 4.296 4.350 0.000 0.000 0.268 255 T C 1.888 176.588 174.700 -0.001 0.000 1.044 255 T CA 1.477 63.598 62.100 0.035 0.000 1.139 255 T CB -0.451 68.521 68.868 0.173 0.000 0.867 255 T HN 0.571 nan 8.240 nan 0.000 0.454 256 G N 0.918 109.694 108.800 -0.039 0.000 2.430 256 G HA2 -0.037 3.923 3.960 0.000 0.000 0.216 256 G HA3 -0.037 3.923 3.960 0.000 0.000 0.216 256 G C 1.488 176.321 174.900 -0.112 0.000 1.146 256 G CA 0.298 45.364 45.100 -0.057 0.000 0.793 256 G HN 0.390 nan 8.290 nan 0.000 0.537 257 L N 1.507 122.652 121.223 -0.130 0.000 2.017 257 L HA 0.173 4.513 4.340 0.000 0.000 0.208 257 L C 3.013 179.749 176.870 -0.225 0.000 1.073 257 L CA 2.142 56.846 54.840 -0.226 0.000 0.745 257 L CB -0.733 41.237 42.059 -0.148 0.000 0.894 257 L HN 0.211 nan 8.230 nan 0.000 0.432 258 A N -0.975 121.780 122.820 -0.108 0.000 1.902 258 A HA -0.291 4.029 4.320 0.000 0.000 0.217 258 A C 2.275 179.824 177.584 -0.057 0.000 1.181 258 A CA 1.821 53.821 52.037 -0.063 0.000 0.623 258 A CB -0.760 18.228 19.000 -0.019 0.000 0.818 258 A HN 0.595 nan 8.150 nan 0.000 0.443 259 Q N -0.027 119.741 119.800 -0.053 0.000 2.084 259 Q HA -0.056 4.284 4.340 0.000 0.000 0.202 259 Q C 2.022 177.995 176.000 -0.046 0.000 0.978 259 Q CA 2.275 58.060 55.803 -0.031 0.000 0.844 259 Q CB -0.653 28.076 28.738 -0.015 0.000 0.898 259 Q HN 0.551 nan 8.270 nan 0.000 0.426 260 A N 0.290 123.033 122.820 -0.127 0.000 1.908 260 A HA -0.100 4.220 4.320 0.000 0.000 0.218 260 A C 2.291 179.847 177.584 -0.047 0.000 1.181 260 A CA 2.068 54.013 52.037 -0.154 0.000 0.627 260 A CB -1.200 17.545 19.000 -0.426 0.000 0.818 260 A HN 0.553 nan 8.150 nan 0.000 0.445 261 A N -0.850 121.916 122.820 -0.089 0.000 1.929 261 A HA 0.082 4.402 4.320 0.000 0.000 0.216 261 A C 2.107 179.771 177.584 0.134 0.000 1.176 261 A CA 1.504 53.619 52.037 0.131 0.000 0.628 261 A CB -0.532 18.534 19.000 0.110 0.000 0.816 261 A HN 0.654 nan 8.150 nan 0.000 0.444 262 L N 0.132 121.399 121.223 0.072 0.000 2.046 262 L HA -0.172 4.168 4.340 0.000 0.000 0.208 262 L C 1.658 178.587 176.870 0.098 0.000 1.077 262 L CA 2.464 57.352 54.840 0.079 0.000 0.747 262 L CB -0.549 41.536 42.059 0.044 0.000 0.896 262 L HN 0.323 nan 8.230 nan 0.000 0.432 263 D N -0.451 120.003 120.400 0.090 0.000 2.117 263 D HA -0.176 4.464 4.640 0.000 0.000 0.197 263 D C 2.073 178.465 176.300 0.153 0.000 0.987 263 D CA 1.187 55.246 54.000 0.099 0.000 0.829 263 D CB -0.114 40.734 40.800 0.081 0.000 0.961 263 D HN 0.414 nan 8.370 nan 0.000 0.460 264 E N 0.837 121.168 120.200 0.218 0.000 2.070 264 E HA -0.189 4.162 4.350 0.000 0.000 0.197 264 E C 2.081 178.908 176.600 0.379 0.000 1.004 264 E CA 1.188 57.788 56.400 0.333 0.000 0.805 264 E CB -0.299 29.613 29.700 0.354 0.000 0.744 264 E HN 0.257 nan 8.360 nan 0.000 0.451 265 A N 0.901 123.918 122.820 0.329 0.000 1.897 265 A HA -0.081 4.240 4.320 0.000 0.000 0.215 265 A C 2.650 180.275 177.584 0.069 0.000 1.181 265 A CA 1.163 53.333 52.037 0.220 0.000 0.620 265 A CB -0.578 18.555 19.000 0.220 0.000 0.821 265 A HN 0.120 nan 8.150 nan 0.000 0.443 266 V N 0.135 120.096 119.914 0.078 0.000 2.255 266 V HA -0.295 3.825 4.120 0.000 0.000 0.247 266 V C 3.086 179.189 176.094 0.016 0.000 1.051 266 V CA 2.080 64.403 62.300 0.038 0.000 1.018 266 V CB -1.375 30.473 31.823 0.041 0.000 0.641 266 V HN 0.615 nan 8.190 nan 0.000 0.445 267 A N -0.902 121.945 122.820 0.045 0.000 1.873 267 A HA -0.321 3.999 4.320 0.000 0.000 0.218 267 A C 2.175 179.740 177.584 -0.033 0.000 1.193 267 A CA 2.437 54.492 52.037 0.030 0.000 0.629 267 A CB -0.980 18.072 19.000 0.086 0.000 0.826 267 A HN 0.618 nan 8.150 nan 0.000 0.447 268 Y N 0.489 120.649 120.300 -0.234 0.000 2.114 268 Y HA -0.179 4.371 4.550 0.000 0.000 0.282 268 Y C 2.724 178.417 175.900 -0.346 0.000 1.165 268 Y CA 1.591 59.411 58.100 -0.466 0.000 1.148 268 Y CB -0.563 37.142 38.460 -1.258 0.000 0.972 268 Y HN 0.317 nan 8.280 nan 0.000 0.504 269 A N -0.001 122.704 122.820 -0.191 0.000 2.070 269 A HA -0.199 4.121 4.320 0.000 0.000 0.220 269 A C 2.019 179.498 177.584 -0.174 0.000 1.159 269 A CA 1.802 53.739 52.037 -0.167 0.000 0.656 269 A CB -0.607 18.357 19.000 -0.060 0.000 0.800 269 A HN 0.612 nan 8.150 nan 0.000 0.453 270 N N -0.309 118.301 118.700 -0.150 0.000 2.376 270 N HA 0.045 4.785 4.740 0.000 0.000 0.177 270 N C 1.024 176.440 175.510 -0.156 0.000 1.024 270 N CA 0.994 53.973 53.050 -0.119 0.000 0.893 270 N CB -0.074 38.372 38.487 -0.068 0.000 0.980 270 N HN 0.729 nan 8.380 nan 0.000 0.439 279 I N 1.907 122.397 120.570 -0.135 0.000 2.361 279 I HA -0.226 3.944 4.170 0.000 0.000 0.251 279 I C 2.307 178.379 176.117 -0.075 0.000 1.133 279 I CA 1.362 62.587 61.300 -0.126 0.000 1.413 279 I CB -0.455 37.409 38.000 -0.227 0.000 1.073 279 I HN 0.703 nan 8.210 nan 0.000 0.424 280 I N 1.844 122.371 120.570 -0.072 0.000 2.091 280 I HA -0.396 3.774 4.170 0.000 0.000 0.239 280 I C 2.584 178.685 176.117 -0.026 0.000 1.061 280 I CA 2.555 63.834 61.300 -0.035 0.000 1.317 280 I CB -0.500 37.483 38.000 -0.028 0.000 1.031 280 I HN 0.338 nan 8.210 nan 0.000 0.401 281 D N -0.630 119.750 120.400 -0.033 0.000 2.088 281 D HA -0.195 4.445 4.640 0.000 0.000 0.191 281 D C 1.415 177.695 176.300 -0.034 0.000 0.992 281 D CA 2.004 55.985 54.000 -0.032 0.000 0.831 281 D CB -1.572 39.209 40.800 -0.032 0.000 0.973 281 D HN 0.714 nan 8.370 nan 0.000 0.447 285 L N 0.737 121.971 121.223 0.018 0.000 2.201 285 L HA 0.180 4.520 4.340 0.000 0.000 0.212 285 L C 2.767 179.690 176.870 0.089 0.000 1.105 285 L CA 2.438 57.308 54.840 0.050 0.000 0.775 285 L CB -0.215 41.861 42.059 0.029 0.000 0.913 285 L HN 0.367 nan 8.230 nan 0.000 0.440 286 G N -1.112 107.754 108.800 0.109 0.000 2.446 286 G HA2 -0.295 3.665 3.960 0.000 0.000 0.217 286 G HA3 -0.295 3.665 3.960 0.000 0.000 0.217 286 G C 1.447 176.518 174.900 0.286 0.000 1.168 286 G CA 0.568 45.774 45.100 0.177 0.000 0.771 286 G HN 0.246 nan 8.290 nan 0.000 0.551 287 F N 0.119 120.071 119.950 0.003 0.000 2.186 287 F HA 0.112 4.639 4.527 0.000 0.000 0.299 287 F C 2.440 178.245 175.800 0.008 0.000 1.090 287 F CA 0.159 58.162 58.000 0.004 0.000 1.307 287 F CB -0.802 38.200 39.000 0.003 0.000 1.019 287 F HN 0.073 nan 8.300 nan 0.000 0.489 288 L N -0.368 120.969 121.223 0.191 0.000 2.027 288 L HA -0.165 4.175 4.340 0.000 0.000 0.206 288 L C 2.202 179.117 176.870 0.075 0.000 1.074 288 L CA 1.571 56.476 54.840 0.109 0.000 0.745 288 L CB -0.702 41.411 42.059 0.090 0.000 0.898 288 L HN 0.054 nan 8.230 nan 0.000 0.433 289 L N -1.107 120.162 121.223 0.076 0.000 2.083 289 L HA -0.192 4.148 4.340 0.000 0.000 0.209 289 L C 2.646 179.533 176.870 0.028 0.000 1.083 289 L CA 1.111 55.983 54.840 0.053 0.000 0.752 289 L CB -0.833 41.257 42.059 0.052 0.000 0.899 289 L HN 0.345 nan 8.230 nan 0.000 0.433 290 A N -0.160 122.668 122.820 0.014 0.000 1.883 290 A HA -0.246 4.074 4.320 0.000 0.000 0.217 290 A C 1.972 179.528 177.584 -0.047 0.000 1.186 290 A CA 2.062 54.074 52.037 -0.042 0.000 0.624 290 A CB -0.530 18.391 19.000 -0.133 0.000 0.822 290 A HN 0.363 nan 8.150 nan 0.000 0.444 291 D N -0.503 119.877 120.400 -0.033 0.000 2.178 291 D HA -0.106 4.534 4.640 0.000 0.000 0.202 291 D C 2.028 178.326 176.300 -0.003 0.000 0.974 291 D CA 1.305 55.292 54.000 -0.022 0.000 0.841 291 D CB -0.316 40.481 40.800 -0.005 0.000 0.953 291 D HN 0.520 nan 8.370 nan 0.000 0.478 292 M N 0.666 120.274 119.600 0.013 0.000 2.086 292 M HA -0.141 4.339 4.480 0.000 0.000 0.261 292 M C 2.368 178.675 176.300 0.011 0.000 1.067 292 M CA 1.552 56.864 55.300 0.020 0.000 1.116 292 M CB -0.189 32.434 32.600 0.037 0.000 1.348 292 M HN -0.043 nan 8.290 nan 0.000 0.407 293 A N 0.325 123.148 122.820 0.005 0.000 1.898 293 A HA -0.009 4.311 4.320 0.000 0.000 0.216 293 A C 2.395 179.974 177.584 -0.009 0.000 1.181 293 A CA 1.784 53.821 52.037 -0.000 0.000 0.620 293 A CB -0.965 18.033 19.000 -0.004 0.000 0.819 293 A HN 0.489 nan 8.150 nan 0.000 0.442 294 A N -0.003 122.806 122.820 -0.018 0.000 1.908 294 A HA 0.109 4.429 4.320 0.000 0.000 0.218 294 A C 2.505 180.082 177.584 -0.012 0.000 1.181 294 A CA 2.227 54.251 52.037 -0.022 0.000 0.627 294 A CB -1.024 17.956 19.000 -0.033 0.000 0.818 294 A HN 1.050 nan 8.150 nan 0.000 0.445 295 A N -0.528 122.289 122.820 -0.005 0.000 1.877 295 A HA -0.005 4.315 4.320 0.000 0.000 0.216 295 A C 2.238 179.826 177.584 0.008 0.000 1.186 295 A CA 1.864 53.903 52.037 0.003 0.000 0.620 295 A CB -1.009 17.996 19.000 0.007 0.000 0.822 295 A HN 0.446 nan 8.150 nan 0.000 0.443 296 V N -0.057 119.862 119.914 0.008 0.000 2.295 296 V HA -0.249 3.871 4.120 0.000 0.000 0.246 296 V C 3.037 179.135 176.094 0.007 0.000 1.049 296 V CA 2.006 64.314 62.300 0.014 0.000 1.024 296 V CB -1.407 30.424 31.823 0.012 0.000 0.648 296 V HN 0.612 nan 8.190 nan 0.000 0.447 297 A N -0.274 122.542 122.820 -0.007 0.000 1.902 297 A HA -0.218 4.102 4.320 0.000 0.000 0.217 297 A C 2.408 179.973 177.584 -0.032 0.000 1.181 297 A CA 2.474 54.498 52.037 -0.022 0.000 0.623 297 A CB -1.051 17.934 19.000 -0.024 0.000 0.818 297 A HN 0.483 nan 8.150 nan 0.000 0.443 298 T N 0.241 114.783 114.554 -0.020 0.000 2.720 298 T HA -0.055 4.296 4.350 0.000 0.000 0.268 298 T C 2.185 176.879 174.700 -0.010 0.000 1.037 298 T CA 1.658 63.747 62.100 -0.018 0.000 1.144 298 T CB -0.411 68.451 68.868 -0.009 0.000 0.864 298 T HN 0.597 nan 8.240 nan 0.000 0.444 299 A N 1.399 124.227 122.820 0.014 0.000 1.898 299 A HA -0.065 4.255 4.320 0.000 0.000 0.216 299 A C 2.269 179.888 177.584 0.059 0.000 1.181 299 A CA 1.750 53.822 52.037 0.058 0.000 0.620 299 A CB -0.545 18.503 19.000 0.080 0.000 0.819 299 A HN 0.435 nan 8.150 nan 0.000 0.442 300 R N -0.307 120.180 120.500 -0.022 0.000 2.073 300 R HA -0.106 4.234 4.340 0.000 0.000 0.234 300 R C 2.299 178.316 176.300 -0.473 0.000 1.134 300 R CA 1.577 57.518 56.100 -0.264 0.000 0.952 300 R CB -0.450 29.759 30.300 -0.150 0.000 0.850 300 R HN 0.411 nan 8.270 nan 0.000 0.433 301 A N -0.080 122.601 122.820 -0.231 0.000 1.933 301 A HA -0.139 4.181 4.320 0.000 0.000 0.218 301 A C 2.153 179.647 177.584 -0.151 0.000 1.175 301 A CA 2.046 53.971 52.037 -0.186 0.000 0.628 301 A CB -0.855 18.084 19.000 -0.101 0.000 0.814 301 A HN 0.507 nan 8.150 nan 0.000 0.444 302 T N -0.503 113.997 114.554 -0.090 0.000 2.746 302 T HA -0.177 4.174 4.350 0.000 0.000 0.267 302 T C 1.816 176.534 174.700 0.030 0.000 1.039 302 T CA 1.779 63.870 62.100 -0.014 0.000 1.142 302 T CB -0.569 68.316 68.868 0.028 0.000 0.866 302 T HN 0.841 nan 8.240 nan 0.000 0.444 303 Y N 1.460 121.774 120.300 0.023 0.000 2.293 303 Y HA 0.178 4.728 4.550 0.000 0.000 0.291 303 Y C 1.854 177.780 175.900 0.044 0.000 1.137 303 Y CA 0.429 58.551 58.100 0.037 0.000 1.202 303 Y CB -1.003 37.472 38.460 0.026 0.000 0.990 303 Y HN 0.116 nan 8.280 nan 0.000 0.537 304 L N 0.565 121.633 121.223 -0.258 0.000 2.109 304 L HA -0.138 4.202 4.340 0.000 0.000 0.207 304 L C 2.507 179.360 176.870 -0.029 0.000 1.086 304 L CA 1.571 56.325 54.840 -0.143 0.000 0.760 304 L CB -0.658 41.238 42.059 -0.271 0.000 0.910 304 L HN 0.319 nan 8.230 nan 0.000 0.437 305 D N 0.713 121.093 120.400 -0.032 0.000 2.104 305 D HA -0.216 4.425 4.640 0.000 0.000 0.194 305 D C 2.097 178.422 176.300 0.040 0.000 0.994 305 D CA 1.620 55.621 54.000 0.002 0.000 0.830 305 D CB 0.348 41.148 40.800 0.001 0.000 0.959 305 D HN 0.278 nan 8.370 nan 0.000 0.452 306 A N 1.029 123.899 122.820 0.083 0.000 1.933 306 A HA -0.029 4.291 4.320 0.000 0.000 0.218 306 A C 2.459 180.089 177.584 0.076 0.000 1.175 306 A CA 2.370 54.487 52.037 0.133 0.000 0.628 306 A CB -0.820 18.303 19.000 0.204 0.000 0.814 306 A HN 0.357 nan 8.150 nan 0.000 0.444 307 A N -0.031 122.849 122.820 0.100 0.000 1.902 307 A HA -0.189 4.132 4.320 0.000 0.000 0.217 307 A C 2.234 179.812 177.584 -0.009 0.000 1.181 307 A CA 1.645 53.733 52.037 0.085 0.000 0.623 307 A CB -0.468 18.662 19.000 0.215 0.000 0.818 307 A HN 0.565 nan 8.150 nan 0.000 0.443 308 R N -0.762 119.741 120.500 0.005 0.000 2.115 308 R HA -0.062 4.278 4.340 0.000 0.000 0.230 308 R C 2.421 178.693 176.300 -0.047 0.000 1.111 308 R CA 1.387 57.479 56.100 -0.012 0.000 0.976 308 R CB -0.274 30.025 30.300 -0.001 0.000 0.870 308 R HN 0.502 nan 8.270 nan 0.000 0.445 309 R N 0.212 120.682 120.500 -0.050 0.000 2.081 309 R HA -0.128 4.212 4.340 0.000 0.000 0.235 309 R C 2.404 178.597 176.300 -0.178 0.000 1.131 309 R CA 1.472 57.539 56.100 -0.056 0.000 0.960 309 R CB -0.296 30.020 30.300 0.026 0.000 0.856 309 R HN 0.187 nan 8.270 nan 0.000 0.436 310 R N 1.017 121.261 120.500 -0.426 0.000 2.066 310 R HA -0.146 4.194 4.340 0.000 0.000 0.232 310 R C 1.250 177.342 176.300 -0.348 0.000 1.131 310 R CA 1.985 57.652 56.100 -0.721 0.000 0.955 310 R CB -0.166 29.399 30.300 -1.224 0.000 0.851 310 R HN 0.130 nan 8.270 nan 0.000 0.432 311 D N 0.650 120.923 120.400 -0.210 0.000 2.182 311 D HA -0.177 4.464 4.640 0.000 0.000 0.201 311 D C 1.570 177.830 176.300 -0.067 0.000 0.986 311 D CA 1.229 55.175 54.000 -0.091 0.000 0.847 311 D CB -0.126 40.665 40.800 -0.015 0.000 0.942 311 D HN 0.440 nan 8.370 nan 0.000 0.467 312 Q N -0.692 119.068 119.800 -0.068 0.000 2.444 312 Q HA 0.183 4.524 4.340 0.000 0.000 0.206 312 Q C 0.851 176.830 176.000 -0.035 0.000 0.948 312 Q CA 0.374 56.155 55.803 -0.038 0.000 0.946 312 Q CB 0.496 29.220 28.738 -0.024 0.000 1.027 312 Q HN 0.300 nan 8.270 nan 0.000 0.513 313 G N 1.516 110.281 108.800 -0.057 0.000 2.176 313 G HA2 -0.307 3.654 3.960 0.000 0.000 0.252 313 G HA3 -0.307 3.654 3.960 0.000 0.000 0.252 313 G C -0.169 174.736 174.900 0.007 0.000 1.024 313 G CA 0.194 45.276 45.100 -0.029 0.000 0.755 313 G HN 0.214 nan 8.290 nan 0.000 0.507 314 R N 0.185 120.692 120.500 0.011 0.000 2.758 314 R HA 0.589 4.929 4.340 0.000 0.000 0.265 314 R C -2.148 174.237 176.300 0.142 0.000 1.016 314 R CA -1.902 54.232 56.100 0.057 0.000 1.040 314 R CB 0.961 31.284 30.300 0.039 0.000 1.152 314 R HN 0.086 nan 8.270 nan 0.000 0.503 315 P HA -0.060 nan 4.420 nan 0.000 0.264 315 P C -0.986 176.447 177.300 0.221 0.000 1.193 315 P CA 0.504 63.696 63.100 0.153 0.000 0.763 315 P CB 0.197 31.945 31.700 0.079 0.000 0.810 316 Y N -0.810 119.486 120.300 -0.007 0.000 2.888 316 Y HA 0.380 4.930 4.550 0.000 0.000 0.260 316 Y C 1.524 177.415 175.900 -0.015 0.000 1.113 316 Y CA -0.442 57.653 58.100 -0.009 0.000 1.237 316 Y CB -0.824 37.626 38.460 -0.016 0.000 1.307 316 Y HN 0.127 nan 8.280 nan 0.000 0.580 317 S N 0.415 115.925 115.700 -0.317 0.000 2.343 317 S HA -0.172 4.298 4.470 0.000 0.000 0.219 317 S C 1.910 176.421 174.600 -0.148 0.000 1.033 317 S CA 1.914 59.925 58.200 -0.314 0.000 1.014 317 S CB -0.090 62.980 63.200 -0.218 0.000 0.915 317 S HN 0.558 nan 8.310 nan 0.000 0.435 318 Q N 0.580 120.341 119.800 -0.066 0.000 2.077 318 Q HA -0.169 4.171 4.340 0.000 0.000 0.206 318 Q C 2.202 178.198 176.000 -0.006 0.000 0.989 318 Q CA 1.668 57.457 55.803 -0.024 0.000 0.853 318 Q CB -0.551 28.186 28.738 -0.000 0.000 0.907 318 Q HN 0.582 nan 8.270 nan 0.000 0.418 319 Q N -0.259 119.552 119.800 0.018 0.000 2.230 319 Q HA 0.012 4.352 4.340 0.000 0.000 0.202 319 Q C 1.859 177.900 176.000 0.069 0.000 0.963 319 Q CA 1.319 57.155 55.803 0.055 0.000 0.866 319 Q CB -0.224 28.567 28.738 0.089 0.000 0.931 319 Q HN 0.392 nan 8.270 nan 0.000 0.452 320 A N -0.243 122.604 122.820 0.046 0.000 1.929 320 A HA -0.109 4.212 4.320 0.000 0.000 0.216 320 A C 2.197 179.787 177.584 0.010 0.000 1.176 320 A CA 1.397 53.462 52.037 0.047 0.000 0.628 320 A CB -0.444 18.546 19.000 -0.016 0.000 0.816 320 A HN 0.258 nan 8.150 nan 0.000 0.444 321 S N -0.142 115.544 115.700 -0.023 0.000 2.368 321 S HA -0.092 4.378 4.470 0.000 0.000 0.225 321 S C 1.813 176.418 174.600 0.008 0.000 1.030 321 S CA 1.380 59.571 58.200 -0.016 0.000 0.999 321 S CB -0.437 62.747 63.200 -0.027 0.000 0.844 321 S HN 0.543 nan 8.310 nan 0.000 0.459 322 I N 1.562 122.143 120.570 0.017 0.000 2.179 322 I HA -0.233 3.937 4.170 0.000 0.000 0.242 322 I C 2.703 178.845 176.117 0.041 0.000 1.088 322 I CA 1.133 62.448 61.300 0.026 0.000 1.357 322 I CB -0.527 37.489 38.000 0.027 0.000 1.051 322 I HN 0.266 nan 8.210 nan 0.000 0.409 323 A N 0.603 123.460 122.820 0.061 0.000 1.883 323 A HA -0.270 4.051 4.320 0.000 0.000 0.217 323 A C 2.418 180.048 177.584 0.076 0.000 1.186 323 A CA 1.850 53.942 52.037 0.092 0.000 0.624 323 A CB -0.525 18.561 19.000 0.143 0.000 0.822 323 A HN 0.264 nan 8.150 nan 0.000 0.444 324 K N -0.384 120.047 120.400 0.052 0.000 2.025 324 K HA -0.121 4.199 4.320 0.000 0.000 0.207 324 K C 2.005 178.623 176.600 0.030 0.000 1.049 324 K CA 1.672 57.981 56.287 0.036 0.000 0.933 324 K CB -0.607 31.907 32.500 0.023 0.000 0.714 324 K HN 0.382 nan 8.250 nan 0.000 0.438 325 L N 1.516 122.753 121.223 0.023 0.000 1.990 325 L HA -0.188 4.152 4.340 0.000 0.000 0.213 325 L C 2.178 179.060 176.870 0.019 0.000 1.072 325 L CA 2.249 57.099 54.840 0.016 0.000 0.755 325 L CB -1.081 40.986 42.059 0.012 0.000 0.889 325 L HN 0.158 nan 8.230 nan 0.000 0.432 326 T N -0.099 114.471 114.554 0.027 0.000 2.674 326 T HA -0.175 4.175 4.350 0.000 0.000 0.265 326 T C 1.859 176.579 174.700 0.034 0.000 1.039 326 T CA 1.600 63.717 62.100 0.029 0.000 1.150 326 T CB -0.611 68.279 68.868 0.036 0.000 0.864 326 T HN 0.562 nan 8.240 nan 0.000 0.427 327 A N 1.405 124.254 122.820 0.048 0.000 1.969 327 A HA -0.101 4.219 4.320 0.000 0.000 0.218 327 A C 2.578 180.178 177.584 0.026 0.000 1.169 327 A CA 2.174 54.242 52.037 0.052 0.000 0.635 327 A CB -1.008 18.038 19.000 0.077 0.000 0.810 327 A HN 0.656 nan 8.150 nan 0.000 0.445 328 T N -3.095 111.469 114.554 0.017 0.000 2.937 328 T HA -0.065 4.285 4.350 0.000 0.000 0.260 328 T C 1.361 176.057 174.700 -0.006 0.000 1.051 328 T CA 1.205 63.305 62.100 0.000 0.000 1.141 328 T CB -0.368 68.497 68.868 -0.004 0.000 0.879 328 T HN 0.257 nan 8.240 nan 0.000 0.459 329 D N 2.170 122.570 120.400 -0.000 0.000 2.149 329 D HA 0.016 4.656 4.640 0.000 0.000 0.198 329 D C 2.405 178.707 176.300 0.003 0.000 0.990 329 D CA 1.500 55.499 54.000 -0.001 0.000 0.839 329 D CB -0.612 40.189 40.800 0.002 0.000 0.948 329 D HN 0.572 nan 8.370 nan 0.000 0.460 330 A N 0.811 123.637 122.820 0.009 0.000 1.898 330 A HA -0.022 4.298 4.320 0.000 0.000 0.216 330 A C 2.309 179.897 177.584 0.007 0.000 1.181 330 A CA 2.142 54.185 52.037 0.011 0.000 0.620 330 A CB -0.724 18.287 19.000 0.018 0.000 0.819 330 A HN 0.232 nan 8.150 nan 0.000 0.442 331 A N -1.017 121.803 122.820 0.001 0.000 1.902 331 A HA -0.134 4.186 4.320 0.000 0.000 0.217 331 A C 2.183 179.765 177.584 -0.004 0.000 1.181 331 A CA 2.249 54.282 52.037 -0.007 0.000 0.623 331 A CB -0.488 18.500 19.000 -0.019 0.000 0.818 331 A HN 0.533 nan 8.150 nan 0.000 0.443 332 M N -0.147 119.449 119.600 -0.008 0.000 2.117 332 M HA -0.100 4.381 4.480 0.000 0.000 0.262 332 M C 2.002 178.306 176.300 0.007 0.000 1.065 332 M CA 2.144 57.441 55.300 -0.006 0.000 1.114 332 M CB -0.310 32.281 32.600 -0.016 0.000 1.361 332 M HN 0.425 nan 8.290 nan 0.000 0.408 333 K N -0.834 119.571 120.400 0.009 0.000 2.057 333 K HA -0.090 4.230 4.320 0.000 0.000 0.206 333 K C 1.638 178.253 176.600 0.025 0.000 1.050 333 K CA 1.586 57.883 56.287 0.016 0.000 0.935 333 K CB -0.118 32.391 32.500 0.014 0.000 0.715 333 K HN 0.288 nan 8.250 nan 0.000 0.439 334 V N 1.483 121.411 119.914 0.024 0.000 2.427 334 V HA -0.215 3.905 4.120 0.000 0.000 0.248 334 V C 2.474 178.597 176.094 0.048 0.000 1.051 334 V CA 2.252 64.573 62.300 0.034 0.000 1.048 334 V CB -0.671 31.167 31.823 0.025 0.000 0.666 334 V HN 0.616 nan 8.190 nan 0.000 0.456 335 T N -3.002 111.578 114.554 0.043 0.000 2.821 335 T HA -0.186 4.165 4.350 0.000 0.000 0.267 335 T C 1.831 176.565 174.700 0.057 0.000 1.046 335 T CA 1.858 63.996 62.100 0.063 0.000 1.139 335 T CB -0.676 68.231 68.868 0.065 0.000 0.871 335 T HN 0.416 nan 8.240 nan 0.000 0.454 336 T N 2.094 116.674 114.554 0.044 0.000 2.746 336 T HA -0.087 4.263 4.350 0.000 0.000 0.267 336 T C 1.644 176.375 174.700 0.051 0.000 1.039 336 T CA 1.514 63.639 62.100 0.042 0.000 1.142 336 T CB -0.542 68.345 68.868 0.032 0.000 0.866 336 T HN 0.410 nan 8.240 nan 0.000 0.444 337 D N 1.082 121.515 120.400 0.054 0.000 2.224 337 D HA 0.101 4.741 4.640 0.000 0.000 0.205 337 D C 2.226 178.580 176.300 0.090 0.000 0.965 337 D CA 0.754 54.792 54.000 0.064 0.000 0.852 337 D CB -0.299 40.536 40.800 0.058 0.000 0.947 337 D HN 0.395 nan 8.370 nan 0.000 0.494 338 A N 0.488 123.368 122.820 0.100 0.000 1.930 338 A HA -0.095 4.225 4.320 0.000 0.000 0.217 338 A C 2.441 180.122 177.584 0.163 0.000 1.175 338 A CA 0.815 52.943 52.037 0.151 0.000 0.627 338 A CB -0.514 18.577 19.000 0.153 0.000 0.815 338 A HN 0.132 nan 8.150 nan 0.000 0.443 339 V N -0.253 119.704 119.914 0.072 0.000 2.358 339 V HA -0.276 3.844 4.120 0.000 0.000 0.246 339 V C 2.706 178.859 176.094 0.098 0.000 1.047 339 V CA 2.280 64.603 62.300 0.038 0.000 1.035 339 V CB -0.752 31.096 31.823 0.041 0.000 0.658 339 V HN 0.660 nan 8.190 nan 0.000 0.452 340 Q N 0.269 120.123 119.800 0.090 0.000 2.077 340 Q HA -0.191 4.149 4.340 0.000 0.000 0.206 340 Q C 2.112 178.169 176.000 0.095 0.000 0.989 340 Q CA 2.321 58.171 55.803 0.078 0.000 0.853 340 Q CB -0.702 28.073 28.738 0.061 0.000 0.907 340 Q HN 0.465 nan 8.270 nan 0.000 0.418 341 V N 0.066 120.054 119.914 0.123 0.000 2.332 341 V HA -0.249 3.871 4.120 0.000 0.000 0.248 341 V C 1.890 178.022 176.094 0.063 0.000 1.055 341 V CA 1.894 64.257 62.300 0.105 0.000 1.038 341 V CB -0.670 31.218 31.823 0.108 0.000 0.651 341 V HN 0.330 nan 8.190 nan 0.000 0.450 342 F N 0.428 120.268 119.950 -0.183 0.000 2.407 342 F HA 0.305 4.832 4.527 0.000 0.000 0.299 342 F C 1.810 177.479 175.800 -0.218 0.000 1.097 342 F CA 0.922 58.618 58.000 -0.506 0.000 1.422 342 F CB -0.874 37.708 39.000 -0.696 0.000 1.067 342 F HN 0.325 nan 8.300 nan 0.000 0.539 343 G N 0.110 108.961 108.800 0.086 0.000 2.562 343 G HA2 -0.273 3.688 3.960 0.000 0.000 0.250 343 G HA3 -0.273 3.688 3.960 0.000 0.000 0.250 343 G C 1.231 176.176 174.900 0.075 0.000 1.269 343 G CA -0.183 44.961 45.100 0.073 0.000 0.919 343 G HN 0.559 nan 8.290 nan 0.000 0.574 344 G N -0.536 108.306 108.800 0.071 0.000 2.469 344 G HA2 0.087 4.047 3.960 0.000 0.000 0.220 344 G HA3 0.087 4.047 3.960 0.000 0.000 0.220 344 G C 2.069 177.048 174.900 0.132 0.000 1.136 344 G CA 3.439 48.588 45.100 0.082 0.000 0.759 344 G HN 2.048 nan 8.290 nan 0.000 0.562 345 V N -0.733 119.262 119.914 0.136 0.000 2.759 345 V HA 0.127 4.247 4.120 0.000 0.000 0.256 345 V C 2.682 178.868 176.094 0.153 0.000 1.080 345 V CA 1.613 64.026 62.300 0.189 0.000 1.101 345 V CB -1.106 30.901 31.823 0.305 0.000 0.698 345 V HN 0.266 nan 8.190 nan 0.000 0.477 346 G N -0.932 107.899 108.800 0.052 0.000 2.462 346 G HA2 -0.305 3.655 3.960 0.000 0.000 0.220 346 G HA3 -0.305 3.655 3.960 0.000 0.000 0.220 346 G C 1.400 176.300 174.900 0.000 0.000 1.121 346 G CA 1.059 46.104 45.100 -0.092 0.000 0.758 346 G HN 0.639 nan 8.290 nan 0.000 0.559 347 Y N 2.369 122.643 120.300 -0.043 0.000 2.529 347 Y HA 0.196 4.746 4.550 0.000 0.000 0.290 347 Y C 1.587 177.470 175.900 -0.029 0.000 1.177 347 Y CA 0.413 58.491 58.100 -0.036 0.000 1.305 347 Y CB -0.140 38.312 38.460 -0.013 0.000 1.047 347 Y HN 0.186 nan 8.280 nan 0.000 0.522 348 T N -3.067 111.494 114.554 0.012 0.000 2.944 348 T HA 0.342 4.692 4.350 0.000 0.000 0.284 348 T C 0.696 175.331 174.700 -0.109 0.000 1.010 348 T CA -0.950 61.120 62.100 -0.051 0.000 1.025 348 T CB 1.555 70.433 68.868 0.017 0.000 1.079 348 T HN 0.241 nan 8.240 nan 0.000 0.516 349 R N 0.120 120.540 120.500 -0.133 0.000 2.328 349 R HA 0.180 4.520 4.340 0.000 0.000 0.206 349 R C 1.972 178.160 176.300 -0.187 0.000 0.990 349 R CA 0.733 56.740 56.100 -0.156 0.000 1.085 349 R CB -0.894 29.323 30.300 -0.139 0.000 0.998 349 R HN 0.925 nan 8.270 nan 0.000 0.484 350 D N -0.092 120.180 120.400 -0.213 0.000 2.277 350 D HA -0.046 4.595 4.640 0.000 0.000 0.208 350 D C 0.132 176.007 176.300 -0.707 0.000 0.962 350 D CA 0.879 54.630 54.000 -0.415 0.000 0.865 350 D CB -0.086 40.450 40.800 -0.440 0.000 0.939 350 D HN 0.139 nan 8.370 nan 0.000 0.510 351 Y N -2.156 118.030 120.300 -0.189 0.000 2.633 351 Y HA 0.565 5.115 4.550 0.000 0.000 0.339 351 Y C 1.420 177.103 175.900 -0.361 0.000 1.045 351 Y CA -1.060 56.877 58.100 -0.273 0.000 1.098 351 Y CB 1.841 40.049 38.460 -0.419 0.000 1.296 351 Y HN -0.285 nan 8.280 nan 0.000 0.494 352 R N -0.052 120.293 120.500 -0.258 0.000 2.200 352 R HA -0.040 4.301 4.340 0.000 0.000 0.208 352 R C 1.728 177.594 176.300 -0.722 0.000 1.033 352 R CA 1.130 56.912 56.100 -0.530 0.000 1.000 352 R CB -0.179 29.747 30.300 -0.624 0.000 0.906 352 R HN 0.652 nan 8.270 nan 0.000 0.462 353 V N 0.365 119.944 119.914 -0.558 0.000 2.594 353 V HA -0.253 3.867 4.120 0.000 0.000 0.253 353 V C 2.034 177.976 176.094 -0.254 0.000 1.069 353 V CA 2.086 64.147 62.300 -0.397 0.000 1.082 353 V CB -0.602 30.951 31.823 -0.451 0.000 0.680 353 V HN 0.304 nan 8.190 nan 0.000 0.469 354 E N 2.011 122.051 120.200 -0.266 0.000 2.152 354 E HA -0.221 4.129 4.350 0.000 0.000 0.192 354 E C 2.284 178.792 176.600 -0.154 0.000 0.983 354 E CA 1.616 57.907 56.400 -0.183 0.000 0.818 354 E CB -0.655 28.917 29.700 -0.213 0.000 0.758 354 E HN 0.631 nan 8.360 nan 0.000 0.467 355 R N -0.678 119.694 120.500 -0.213 0.000 2.075 355 R HA -0.147 4.193 4.340 0.000 0.000 0.232 355 R C 1.707 177.993 176.300 -0.023 0.000 1.126 355 R CA 1.390 57.402 56.100 -0.146 0.000 0.963 355 R CB -0.358 29.819 30.300 -0.205 0.000 0.858 355 R HN 0.205 nan 8.270 nan 0.000 0.435 356 Y N 0.580 120.840 120.300 -0.067 0.000 2.181 356 Y HA -0.219 4.331 4.550 0.000 0.000 0.288 356 Y C 2.358 178.231 175.900 -0.046 0.000 1.146 356 Y CA 1.283 59.353 58.100 -0.049 0.000 1.164 356 Y CB -0.780 37.653 38.460 -0.045 0.000 0.982 356 Y HN 0.143 nan 8.280 nan 0.000 0.515 357 M N -0.097 119.561 119.600 0.098 0.000 2.108 357 M HA -0.272 4.208 4.480 0.000 0.000 0.261 357 M C 2.147 178.453 176.300 0.010 0.000 1.066 357 M CA 1.828 57.151 55.300 0.039 0.000 1.107 357 M CB -0.070 32.542 32.600 0.019 0.000 1.356 357 M HN 0.143 nan 8.290 nan 0.000 0.406 358 R N -0.309 120.189 120.500 -0.004 0.000 2.090 358 R HA -0.112 4.229 4.340 0.000 0.000 0.228 358 R C 1.905 178.181 176.300 -0.039 0.000 1.110 358 R CA 1.561 57.645 56.100 -0.026 0.000 0.973 358 R CB -0.304 29.977 30.300 -0.033 0.000 0.869 358 R HN 0.545 nan 8.270 nan 0.000 0.440 359 E N 0.520 120.715 120.200 -0.009 0.000 2.150 359 E HA -0.107 4.243 4.350 0.000 0.000 0.193 359 E C 1.898 178.471 176.600 -0.046 0.000 0.985 359 E CA 0.960 57.351 56.400 -0.015 0.000 0.814 359 E CB 0.030 29.764 29.700 0.057 0.000 0.752 359 E HN 0.341 nan 8.360 nan 0.000 0.466 360 A N 1.281 124.083 122.820 -0.031 0.000 1.968 360 A HA -0.159 4.161 4.320 0.000 0.000 0.217 360 A C 2.006 179.531 177.584 -0.099 0.000 1.169 360 A CA 1.287 53.292 52.037 -0.052 0.000 0.638 360 A CB -0.184 18.803 19.000 -0.022 0.000 0.812 360 A HN -0.017 nan 8.150 nan 0.000 0.446 361 K N 0.139 120.480 120.400 -0.099 0.000 2.063 361 K HA -0.145 4.175 4.320 0.000 0.000 0.208 361 K C 1.519 177.996 176.600 -0.206 0.000 1.048 361 K CA 1.735 57.950 56.287 -0.120 0.000 0.928 361 K CB -0.544 31.902 32.500 -0.090 0.000 0.713 361 K HN 0.345 nan 8.250 nan 0.000 0.442 362 I N 0.246 120.642 120.570 -0.290 0.000 2.493 362 I HA -0.066 4.105 4.170 0.000 0.000 0.254 362 I C 1.902 177.526 176.117 -0.822 0.000 1.160 362 I CA 1.196 62.188 61.300 -0.514 0.000 1.445 362 I CB -0.182 37.496 38.000 -0.536 0.000 1.086 362 I HN 0.271 nan 8.210 nan 0.000 0.433 363 M N -0.400 118.850 119.600 -0.583 0.000 2.213 363 M HA -0.242 4.238 4.480 0.000 0.000 0.263 363 M C 2.051 178.225 176.300 -0.209 0.000 1.062 363 M CA 1.667 56.728 55.300 -0.398 0.000 1.105 363 M CB -0.194 32.331 32.600 -0.126 0.000 1.385 363 M HN 0.260 nan 8.290 nan 0.000 0.417 364 Q N -0.642 119.046 119.800 -0.185 0.000 2.437 364 Q HA -0.091 4.249 4.340 0.000 0.000 0.210 364 Q C 1.527 177.458 176.000 -0.114 0.000 0.972 364 Q CA 0.901 56.638 55.803 -0.111 0.000 0.903 364 Q CB 0.087 28.771 28.738 -0.090 0.000 0.967 364 Q HN 0.581 nan 8.270 nan 0.000 0.486 365 I N -0.897 119.551 120.570 -0.203 0.000 3.136 365 I HA 0.029 4.199 4.170 0.000 0.000 0.262 365 I C 0.917 176.990 176.117 -0.072 0.000 1.132 365 I CA -0.155 61.042 61.300 -0.173 0.000 1.450 365 I CB 0.303 38.157 38.000 -0.242 0.000 1.315 365 I HN 0.040 nan 8.210 nan 0.000 0.460 366 F N 0.670 120.555 119.950 -0.109 0.000 2.375 366 F HA 0.438 4.965 4.527 0.000 0.000 0.313 366 F C 0.888 176.646 175.800 -0.069 0.000 1.176 366 F CA -0.933 57.006 58.000 -0.102 0.000 1.142 366 F CB 0.439 39.376 39.000 -0.105 0.000 1.275 366 F HN -0.038 nan 8.300 nan 0.000 0.544 367 E N 0.563 120.873 120.200 0.183 0.000 2.637 367 E HA -0.045 4.305 4.350 0.000 0.000 0.265 367 E C -0.168 176.455 176.600 0.039 0.000 1.073 367 E CA 1.184 57.606 56.400 0.036 0.000 0.778 367 E CB -1.490 28.211 29.700 0.002 0.000 1.362 367 E HN 1.624 nan 8.360 nan 0.000 0.413 368 G N -0.095 108.732 108.800 0.044 0.000 3.436 368 G HA2 -0.015 3.945 3.960 0.000 0.000 0.685 368 G HA3 -0.015 3.945 3.960 0.000 0.000 0.685 368 G C 0.149 175.062 174.900 0.021 0.000 1.039 368 G CA 0.348 45.459 45.100 0.019 0.000 0.879 368 G HN 1.028 nan 8.290 nan 0.000 0.478 369 T N 0.635 115.192 114.554 0.005 0.000 2.855 369 T HA 0.190 4.540 4.350 0.000 0.000 0.322 369 T C 1.548 176.243 174.700 -0.007 0.000 1.088 369 T CA 0.489 62.582 62.100 -0.012 0.000 1.104 369 T CB 0.757 69.611 68.868 -0.024 0.000 0.996 369 T HN 0.460 nan 8.240 nan 0.000 0.549 370 N N 1.154 119.846 118.700 -0.014 0.000 2.443 370 N HA -0.079 4.661 4.740 0.000 0.000 0.184 370 N C 1.790 177.296 175.510 -0.006 0.000 1.037 370 N CA 0.849 53.893 53.050 -0.009 0.000 0.896 370 N CB -0.407 38.072 38.487 -0.013 0.000 0.959 370 N HN 0.621 nan 8.380 nan 0.000 0.442 371 Q N 0.146 119.941 119.800 -0.008 0.000 2.096 371 Q HA 0.121 4.461 4.340 0.000 0.000 0.197 371 Q C 1.865 177.866 176.000 0.000 0.000 0.964 371 Q CA 0.530 56.331 55.803 -0.004 0.000 0.838 371 Q CB -0.177 28.559 28.738 -0.004 0.000 0.906 371 Q HN 0.250 nan 8.270 nan 0.000 0.444 372 I N 0.551 121.122 120.570 0.001 0.000 2.226 372 I HA -0.296 3.874 4.170 0.000 0.000 0.245 372 I C 2.058 178.176 176.117 0.003 0.000 1.100 372 I CA 1.277 62.580 61.300 0.004 0.000 1.374 372 I CB -0.378 37.626 38.000 0.006 0.000 1.057 372 I HN 0.173 nan 8.210 nan 0.000 0.413 373 Q N 0.359 120.159 119.800 -0.000 0.000 2.045 373 Q HA -0.230 4.110 4.340 0.000 0.000 0.206 373 Q C 2.430 178.431 176.000 0.001 0.000 0.991 373 Q CA 1.741 57.543 55.803 -0.002 0.000 0.851 373 Q CB -0.664 28.073 28.738 -0.001 0.000 0.911 373 Q HN 0.515 nan 8.270 nan 0.000 0.418 374 R N 0.048 120.550 120.500 0.002 0.000 2.105 374 R HA -0.134 4.206 4.340 0.000 0.000 0.239 374 R C 2.306 178.609 176.300 0.006 0.000 1.135 374 R CA 1.006 57.108 56.100 0.004 0.000 0.967 374 R CB -0.414 29.888 30.300 0.003 0.000 0.861 374 R HN 0.146 nan 8.270 nan 0.000 0.442 375 L N 0.516 121.743 121.223 0.007 0.000 2.072 375 L HA -0.083 4.257 4.340 0.000 0.000 0.205 375 L C 2.051 178.929 176.870 0.014 0.000 1.079 375 L CA 1.428 56.275 54.840 0.010 0.000 0.752 375 L CB -0.354 41.711 42.059 0.011 0.000 0.906 375 L HN -0.120 nan 8.230 nan 0.000 0.436 376 V N 0.134 120.056 119.914 0.013 0.000 2.255 376 V HA -0.346 3.774 4.120 0.000 0.000 0.247 376 V C 2.539 178.640 176.094 0.011 0.000 1.051 376 V CA 2.426 64.735 62.300 0.015 0.000 1.018 376 V CB -0.472 31.354 31.823 0.004 0.000 0.641 376 V HN 0.439 nan 8.190 nan 0.000 0.445 377 I N 0.350 120.924 120.570 0.006 0.000 2.163 377 I HA -0.273 3.898 4.170 0.000 0.000 0.243 377 I C 2.641 178.764 176.117 0.009 0.000 1.085 377 I CA 1.667 62.971 61.300 0.006 0.000 1.347 377 I CB -0.665 37.338 38.000 0.005 0.000 1.044 377 I HN 0.289 nan 8.210 nan 0.000 0.408 378 A N 0.724 123.550 122.820 0.009 0.000 1.902 378 A HA -0.209 4.111 4.320 0.000 0.000 0.217 378 A C 2.409 180.000 177.584 0.012 0.000 1.181 378 A CA 1.544 53.587 52.037 0.010 0.000 0.623 378 A CB -0.584 18.422 19.000 0.009 0.000 0.818 378 A HN 0.323 nan 8.150 nan 0.000 0.443 379 R N -0.989 119.520 120.500 0.014 0.000 2.081 379 R HA -0.117 4.223 4.340 0.000 0.000 0.235 379 R C 2.277 178.588 176.300 0.018 0.000 1.131 379 R CA 1.143 57.253 56.100 0.017 0.000 0.960 379 R CB -0.683 29.632 30.300 0.024 0.000 0.856 379 R HN 0.528 nan 8.270 nan 0.000 0.436 380 G N 0.609 109.420 108.800 0.019 0.000 2.535 380 G HA2 -0.162 3.798 3.960 0.000 0.000 0.218 380 G HA3 -0.162 3.798 3.960 0.000 0.000 0.218 380 G C 1.185 176.094 174.900 0.014 0.000 1.122 380 G CA 0.370 45.481 45.100 0.018 0.000 0.769 380 G HN 0.185 nan 8.290 nan 0.000 0.549 381 L N 0.466 121.697 121.223 0.012 0.000 2.607 381 L HA 0.196 4.536 4.340 0.000 0.000 0.228 381 L C 0.965 177.841 176.870 0.010 0.000 1.123 381 L CA -0.127 54.720 54.840 0.011 0.000 0.890 381 L CB 0.092 42.157 42.059 0.009 0.000 1.103 381 L HN -0.002 nan 8.230 nan 0.000 0.468 382 T N 0.000 114.560 114.554 0.011 0.000 3.816 382 T HA 0.000 4.350 4.350 0.000 0.000 0.228 382 T CA 0.000 62.105 62.100 0.009 0.000 1.349 382 T CB 0.000 68.873 68.868 0.009 0.000 0.612 382 T HN 0.000 nan 8.240 nan 0.000 0.658