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 1gwi_1_B DATA FIRST_RESID 8 DATA SEQUENCE ARIPLDPFVT DLDGESARLR AAGPLAAVEL PGGVPVWAVT HHAEAKALLT DATA SEQUENCE DPRLVKDINV WGAWRRGEIP ADWPLIGLAN PGRSMLTVDG AEHRRLRTLV DATA SEQUENCE AQALTVRRVE HMRGRITELT DRLLDELPAD GGVVDLKAAF AYPLPMYVVA DATA SEQUENCE DLMGIEEARL PRLKVLFEKF FSTQTPPEEV VATLTELASI MTDTVAAKRA DATA SEQUENCE APGDDLTSAL IQASENGDHL TDAEIVSTLQ LMVAAGHETT ISLIVNAVVN DATA SEQUENCE LSTHPEQRAL VLSGEAEWSA VVEETLRFST PTSHVLIRFA AEDVPVGDRV DATA SEQUENCE IPAGDALIVS YGALGRDERA HGPTADRFDL TRTSGNRHIS FGHGPHVCPG DATA SEQUENCE AALSRMEAGV ALPALYARFP HLDLAVPAAE LRNKPVVTQN DLFELPVRLA DATA SEQUENCE H 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 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.582 177.584 -0.004 0.000 1.274 8 A CA 0.000 52.041 52.037 0.006 0.000 0.836 8 A CB 0.000 19.003 19.000 0.006 0.000 0.831 9 R N 0.425 120.909 120.500 -0.026 0.000 2.357 9 R HA 0.599 4.940 4.340 0.002 0.000 0.296 9 R C -0.988 175.296 176.300 -0.027 0.000 1.052 9 R CA -0.358 55.713 56.100 -0.048 0.000 0.988 9 R CB 0.279 30.530 30.300 -0.082 0.000 1.025 9 R HN 0.570 nan 8.270 nan 0.000 0.469 10 I N 7.469 128.025 120.570 -0.023 0.000 2.301 10 I HA 0.234 4.405 4.170 0.002 0.000 0.292 10 I C -2.043 174.065 176.117 -0.016 0.000 1.046 10 I CA -2.327 58.968 61.300 -0.007 0.000 1.282 10 I CB 1.595 39.600 38.000 0.008 0.000 1.409 10 I HN 0.413 nan 8.210 nan 0.000 0.484 11 P HA 0.253 nan 4.420 nan 0.000 0.287 11 P C -0.742 176.559 177.300 0.002 0.000 1.281 11 P CA -0.313 62.786 63.100 -0.001 0.000 0.781 11 P CB 0.640 32.348 31.700 0.013 0.000 0.903 12 L N 2.911 124.124 121.223 -0.017 0.000 2.319 12 L HA 0.244 4.585 4.340 0.002 0.000 0.280 12 L C 0.834 177.705 176.870 0.002 0.000 1.099 12 L CA -0.556 54.272 54.840 -0.021 0.000 0.828 12 L CB 0.258 42.261 42.059 -0.095 0.000 1.150 12 L HN 0.319 nan 8.230 nan 0.000 0.442 13 D N 6.267 126.687 120.400 0.032 0.000 2.382 13 D HA 0.036 4.677 4.640 0.002 0.000 0.259 13 D C -1.255 175.048 176.300 0.004 0.000 1.224 13 D CA -1.621 52.413 54.000 0.056 0.000 0.894 13 D CB 1.135 41.998 40.800 0.104 0.000 1.127 13 D HN 0.271 nan 8.370 nan 0.000 0.487 14 P HA -0.109 nan 4.420 nan 0.000 0.226 14 P C 0.906 177.995 177.300 -0.352 0.000 1.153 14 P CA 0.807 63.746 63.100 -0.269 0.000 0.777 14 P CB 0.010 31.461 31.700 -0.414 0.000 0.794 15 F N -0.545 119.426 119.950 0.035 0.000 2.776 15 F HA 0.079 4.607 4.527 0.001 0.000 0.300 15 F C 1.050 176.878 175.800 0.047 0.000 1.116 15 F CA -0.059 57.969 58.000 0.048 0.000 1.375 15 F CB -0.305 38.726 39.000 0.052 0.000 1.109 15 F HN -0.400 nan 8.300 nan 0.000 0.585 16 V N 1.366 121.373 119.914 0.156 0.000 5.830 16 V HA -0.330 3.791 4.120 0.002 0.000 0.274 16 V C 1.477 177.645 176.094 0.124 0.000 0.632 16 V CA 1.271 63.636 62.300 0.108 0.000 0.594 16 V CB -2.644 29.217 31.823 0.062 0.000 0.249 16 V HN 0.647 nan 8.190 nan 0.000 0.697 17 T N -3.831 110.805 114.554 0.138 0.000 3.067 17 T HA 0.104 4.455 4.350 0.002 0.000 0.261 17 T C 0.643 175.385 174.700 0.070 0.000 1.110 17 T CA 1.080 63.243 62.100 0.105 0.000 1.113 17 T CB 0.242 69.167 68.868 0.096 0.000 0.917 17 T HN 0.694 nan 8.240 nan 0.000 0.499 18 D N -0.140 120.299 120.400 0.064 0.000 2.823 18 D HA 0.228 4.869 4.640 0.002 0.000 0.255 18 D C 0.656 176.978 176.300 0.037 0.000 1.257 18 D CA -0.521 53.506 54.000 0.045 0.000 0.803 18 D CB 0.341 41.167 40.800 0.043 0.000 1.384 18 D HN 0.064 nan 8.370 nan 0.000 0.541 19 L N 1.606 122.844 121.223 0.026 0.000 1.990 19 L HA -0.071 4.270 4.340 0.002 0.000 0.213 19 L C 1.231 178.096 176.870 -0.008 0.000 1.072 19 L CA 2.146 56.991 54.840 0.010 0.000 0.755 19 L CB -0.278 41.770 42.059 -0.019 0.000 0.889 19 L HN 0.209 nan 8.230 nan 0.000 0.432 20 D N -0.362 120.023 120.400 -0.025 0.000 2.178 20 D HA -0.124 4.517 4.640 0.002 0.000 0.201 20 D C 2.122 178.422 176.300 0.000 0.000 0.980 20 D CA 1.377 55.357 54.000 -0.034 0.000 0.842 20 D CB -0.553 40.224 40.800 -0.039 0.000 0.948 20 D HN 0.563 nan 8.370 nan 0.000 0.472 21 G N 0.365 109.175 108.800 0.017 0.000 2.403 21 G HA2 -0.239 3.722 3.960 0.002 0.000 0.216 21 G HA3 -0.239 3.722 3.960 0.002 0.000 0.216 21 G C 1.524 176.445 174.900 0.035 0.000 1.154 21 G CA 0.424 45.541 45.100 0.028 0.000 0.784 21 G HN 0.285 nan 8.290 nan 0.000 0.538 22 E N 0.304 120.528 120.200 0.040 0.000 2.107 22 E HA -0.064 4.287 4.350 0.002 0.000 0.191 22 E C 2.688 179.324 176.600 0.060 0.000 0.982 22 E CA 0.886 57.319 56.400 0.055 0.000 0.809 22 E CB 0.023 29.765 29.700 0.070 0.000 0.756 22 E HN 0.352 nan 8.360 nan 0.000 0.459 23 S N 0.270 115.995 115.700 0.042 0.000 2.368 23 S HA -0.182 4.289 4.470 0.002 0.000 0.225 23 S C 1.991 176.618 174.600 0.045 0.000 1.030 23 S CA 1.007 59.227 58.200 0.033 0.000 0.999 23 S CB -0.219 62.972 63.200 -0.016 0.000 0.844 23 S HN 0.457 nan 8.310 nan 0.000 0.459 24 A N 1.532 124.375 122.820 0.038 0.000 1.902 24 A HA -0.107 4.214 4.320 0.002 0.000 0.217 24 A C 2.086 179.705 177.584 0.058 0.000 1.181 24 A CA 1.520 53.584 52.037 0.047 0.000 0.623 24 A CB -0.526 18.498 19.000 0.039 0.000 0.818 24 A HN 0.408 nan 8.150 nan 0.000 0.443 25 R N -0.497 120.035 120.500 0.055 0.000 2.091 25 R HA -0.082 4.259 4.340 0.002 0.000 0.238 25 R C 2.030 178.369 176.300 0.066 0.000 1.136 25 R CA 1.579 57.712 56.100 0.056 0.000 0.959 25 R CB -0.402 29.928 30.300 0.049 0.000 0.856 25 R HN 0.565 nan 8.270 nan 0.000 0.437 26 L N -0.220 121.047 121.223 0.074 0.000 2.046 26 L HA -0.168 4.173 4.340 0.002 0.000 0.208 26 L C 2.644 179.573 176.870 0.099 0.000 1.077 26 L CA 1.364 56.253 54.840 0.081 0.000 0.747 26 L CB -0.412 41.707 42.059 0.101 0.000 0.896 26 L HN 0.196 nan 8.230 nan 0.000 0.432 27 R N -0.007 120.570 120.500 0.129 0.000 2.081 27 R HA -0.119 4.222 4.340 0.002 0.000 0.235 27 R C 2.449 178.903 176.300 0.257 0.000 1.131 27 R CA 1.299 57.533 56.100 0.225 0.000 0.960 27 R CB -0.457 29.934 30.300 0.152 0.000 0.856 27 R HN 0.349 nan 8.270 nan 0.000 0.436 28 A N 1.085 123.990 122.820 0.143 0.000 1.933 28 A HA -0.097 4.224 4.320 0.002 0.000 0.218 28 A C 2.137 179.782 177.584 0.102 0.000 1.175 28 A CA 1.760 53.866 52.037 0.115 0.000 0.628 28 A CB -0.369 18.676 19.000 0.075 0.000 0.814 28 A HN 0.393 nan 8.150 nan 0.000 0.444 29 A N -0.564 122.303 122.820 0.077 0.000 2.251 29 A HA 0.485 4.806 4.320 0.002 0.000 0.209 29 A C 1.355 178.935 177.584 -0.006 0.000 1.187 29 A CA 0.667 52.732 52.037 0.047 0.000 0.823 29 A CB -0.834 18.195 19.000 0.049 0.000 0.846 29 A HN 0.665 nan 8.150 nan 0.000 0.486 30 G N 0.011 108.771 108.800 -0.067 0.000 2.588 30 G HA2 0.367 4.328 3.960 0.002 0.000 0.278 30 G HA3 0.367 4.328 3.960 0.002 0.000 0.278 30 G C -0.753 173.867 174.900 -0.467 0.000 1.307 30 G CA -0.313 44.535 45.100 -0.419 0.000 1.016 30 G HN 0.142 nan 8.290 nan 0.000 0.503 31 P HA 0.008 nan 4.420 nan 0.000 0.222 31 P C 0.393 177.499 177.300 -0.322 0.000 1.153 31 P CA 0.502 63.160 63.100 -0.736 0.000 0.798 31 P CB 0.313 31.807 31.700 -0.343 0.000 0.796 32 L N 0.354 121.457 121.223 -0.199 0.000 2.313 32 L HA 0.634 4.975 4.340 0.002 0.000 0.273 32 L C -0.514 176.387 176.870 0.052 0.000 1.028 32 L CA -1.103 53.679 54.840 -0.096 0.000 0.871 32 L CB 0.459 42.395 42.059 -0.205 0.000 1.242 32 L HN -0.135 nan 8.230 nan 0.000 0.434 33 A N 4.009 126.899 122.820 0.116 0.000 2.306 33 A HA 0.870 5.191 4.320 0.002 0.000 0.314 33 A C -0.120 177.631 177.584 0.278 0.000 1.164 33 A CA -0.181 51.959 52.037 0.172 0.000 0.822 33 A CB 0.942 19.986 19.000 0.073 0.000 1.130 33 A HN 0.898 nan 8.150 nan 0.000 0.496 34 A N 1.577 124.508 122.820 0.184 0.000 2.276 34 A HA 0.591 4.912 4.320 0.002 0.000 0.300 34 A C 0.218 177.737 177.584 -0.109 0.000 1.235 34 A CA 0.083 52.047 52.037 -0.122 0.000 0.867 34 A CB -0.225 18.621 19.000 -0.256 0.000 1.137 34 A HN 2.141 nan 8.150 nan 0.000 0.527 35 V N 0.162 119.985 119.914 -0.151 0.000 3.158 35 V HA 0.818 4.939 4.120 0.002 0.000 0.311 35 V C -0.542 175.485 176.094 -0.112 0.000 1.181 35 V CA -0.831 61.409 62.300 -0.099 0.000 1.054 35 V CB 1.836 33.614 31.823 -0.076 0.000 1.085 35 V HN 0.898 nan 8.190 nan 0.000 0.446 36 E N 1.109 121.269 120.200 -0.066 0.000 2.218 36 E HA 0.562 4.913 4.350 0.002 0.000 0.263 36 E C -1.323 175.281 176.600 0.007 0.000 0.879 36 E CA -0.738 55.642 56.400 -0.034 0.000 0.762 36 E CB 1.816 31.500 29.700 -0.027 0.000 1.166 36 E HN 0.789 nan 8.360 nan 0.000 0.415 37 L N 4.887 126.153 121.223 0.071 0.000 2.453 37 L HA 0.361 4.702 4.340 0.002 0.000 0.261 37 L C -2.026 174.959 176.870 0.192 0.000 1.179 37 L CA -2.075 52.851 54.840 0.144 0.000 0.813 37 L CB 0.454 42.717 42.059 0.340 0.000 1.110 37 L HN 0.471 nan 8.230 nan 0.000 0.466 38 P HA 0.004 nan 4.420 nan 0.000 0.262 38 P C 0.501 177.994 177.300 0.321 0.000 1.182 38 P CA 0.897 64.075 63.100 0.129 0.000 0.761 38 P CB 0.520 32.222 31.700 0.004 0.000 0.795 39 G N 2.536 111.471 108.800 0.224 0.000 2.163 39 G HA2 -0.023 3.938 3.960 0.002 0.000 0.213 39 G HA3 -0.023 3.938 3.960 0.002 0.000 0.213 39 G C 0.749 175.714 174.900 0.109 0.000 0.991 39 G CA 0.197 45.450 45.100 0.255 0.000 0.653 39 G HN 0.990 nan 8.290 nan 0.000 0.518 40 G N -1.757 107.092 108.800 0.082 0.000 2.160 40 G HA2 0.001 3.962 3.960 0.002 0.000 0.251 40 G HA3 0.001 3.962 3.960 0.002 0.000 0.251 40 G C 0.352 175.226 174.900 -0.044 0.000 1.008 40 G CA 0.615 45.720 45.100 0.008 0.000 0.724 40 G HN 1.648 nan 8.290 nan 0.000 0.514 41 V N 2.788 122.685 119.914 -0.029 0.000 2.408 41 V HA 0.415 4.536 4.120 0.002 0.000 0.267 41 V C -1.135 174.956 176.094 -0.006 0.000 1.047 41 V CA -1.293 60.947 62.300 -0.100 0.000 0.937 41 V CB 1.397 33.047 31.823 -0.289 0.000 0.999 41 V HN 0.292 nan 8.190 nan 0.000 0.472 42 P HA 0.431 nan 4.420 nan 0.000 0.280 42 P C -0.848 176.409 177.300 -0.073 0.000 1.244 42 P CA 0.007 63.053 63.100 -0.090 0.000 0.784 42 P CB 1.826 33.444 31.700 -0.137 0.000 0.913 43 V N -0.180 119.625 119.914 -0.182 0.000 3.232 43 V HA 0.611 4.732 4.120 0.002 0.000 0.303 43 V C -1.422 174.493 176.094 -0.298 0.000 1.311 43 V CA -1.202 60.991 62.300 -0.178 0.000 1.061 43 V CB 1.687 33.472 31.823 -0.063 0.000 1.085 43 V HN 0.434 nan 8.190 nan 0.000 0.447 44 W N 0.317 121.594 121.300 -0.040 0.000 2.509 44 W HA 0.882 5.543 4.660 0.002 0.000 0.351 44 W C 0.116 176.588 176.519 -0.079 0.000 1.107 44 W CA -0.102 57.213 57.345 -0.051 0.000 1.264 44 W CB 2.102 31.531 29.460 -0.052 0.000 1.312 44 W HN 1.015 nan 8.180 nan 0.000 0.608 45 A N 1.712 124.657 122.820 0.208 0.000 2.381 45 A HA 0.560 4.881 4.320 0.002 0.000 0.299 45 A C -1.673 175.935 177.584 0.040 0.000 1.049 45 A CA -0.724 51.357 52.037 0.075 0.000 0.715 45 A CB 1.429 20.456 19.000 0.044 0.000 1.222 45 A HN 0.533 nan 8.150 nan 0.000 0.428 46 V N 3.553 123.451 119.914 -0.027 0.000 2.406 46 V HA 0.532 4.653 4.120 0.002 0.000 0.272 46 V C 0.972 177.024 176.094 -0.070 0.000 1.043 46 V CA 0.849 63.104 62.300 -0.075 0.000 0.915 46 V CB 1.164 32.924 31.823 -0.105 0.000 0.988 46 V HN 1.244 nan 8.190 nan 0.000 0.466 47 T N 1.944 116.458 114.554 -0.067 0.000 3.085 47 T HA 0.392 4.743 4.350 0.002 0.000 0.264 47 T C 0.369 175.190 174.700 0.202 0.000 1.019 47 T CA 0.088 62.203 62.100 0.024 0.000 0.910 47 T CB -0.498 68.400 68.868 0.049 0.000 1.059 47 T HN 0.774 nan 8.240 nan 0.000 0.542 48 H N -0.250 118.813 119.070 -0.011 0.000 2.524 48 H HA 0.365 4.922 4.556 0.002 0.000 0.353 48 H C 0.824 176.163 175.328 0.018 0.000 1.136 48 H CA -0.937 55.121 56.048 0.016 0.000 1.193 48 H CB 2.060 31.828 29.762 0.011 0.000 1.558 48 H HN 0.156 nan 8.280 nan 0.000 0.515 49 H N 2.643 121.752 119.070 0.065 0.000 2.251 49 H HA -0.241 4.316 4.556 0.002 0.000 0.294 49 H C 2.031 177.346 175.328 -0.022 0.000 1.078 49 H CA 2.601 58.650 56.048 0.001 0.000 1.246 49 H CB 0.040 29.765 29.762 -0.061 0.000 1.358 49 H HN 0.769 nan 8.280 nan 0.000 0.488 50 A N 0.434 123.352 122.820 0.163 0.000 1.873 50 A HA -0.257 4.064 4.320 0.002 0.000 0.218 50 A C 2.275 179.858 177.584 -0.002 0.000 1.193 50 A CA 2.198 54.279 52.037 0.073 0.000 0.629 50 A CB -0.671 18.372 19.000 0.071 0.000 0.826 50 A HN 0.623 nan 8.150 nan 0.000 0.447 51 E N -0.090 120.120 120.200 0.017 0.000 2.110 51 E HA -0.023 4.328 4.350 0.002 0.000 0.193 51 E C 2.211 178.778 176.600 -0.055 0.000 0.988 51 E CA 1.300 57.688 56.400 -0.020 0.000 0.804 51 E CB -0.476 29.208 29.700 -0.027 0.000 0.745 51 E HN 0.600 nan 8.360 nan 0.000 0.458 52 A N 1.091 123.862 122.820 -0.081 0.000 1.902 52 A HA -0.242 4.079 4.320 0.002 0.000 0.217 52 A C 1.920 179.448 177.584 -0.093 0.000 1.181 52 A CA 1.672 53.636 52.037 -0.121 0.000 0.623 52 A CB -0.340 18.550 19.000 -0.184 0.000 0.818 52 A HN 0.098 nan 8.150 nan 0.000 0.443 53 K N -0.338 119.975 120.400 -0.145 0.000 2.057 53 K HA -0.083 4.238 4.320 0.002 0.000 0.207 53 K C 2.315 178.945 176.600 0.051 0.000 1.049 53 K CA 1.127 57.342 56.287 -0.120 0.000 0.931 53 K CB -0.324 31.956 32.500 -0.367 0.000 0.714 53 K HN 0.455 nan 8.250 nan 0.000 0.440 54 A N 1.451 124.273 122.820 0.003 0.000 1.873 54 A HA -0.122 4.199 4.320 0.002 0.000 0.215 54 A C 2.118 179.714 177.584 0.021 0.000 1.186 54 A CA 1.210 53.261 52.037 0.024 0.000 0.616 54 A CB -0.635 18.364 19.000 -0.002 0.000 0.823 54 A HN 0.154 nan 8.150 nan 0.000 0.442 55 L N -0.631 120.587 121.223 -0.009 0.000 2.131 55 L HA -0.132 4.209 4.340 0.002 0.000 0.210 55 L C 2.333 179.204 176.870 0.001 0.000 1.092 55 L CA 0.762 55.588 54.840 -0.023 0.000 0.759 55 L CB -0.468 41.556 42.059 -0.059 0.000 0.903 55 L HN 0.357 nan 8.230 nan 0.000 0.435 56 L N -0.441 120.806 121.223 0.040 0.000 2.362 56 L HA -0.119 4.222 4.340 0.002 0.000 0.219 56 L C 2.096 179.011 176.870 0.075 0.000 1.134 56 L CA 1.392 56.278 54.840 0.078 0.000 0.807 56 L CB -0.541 41.616 42.059 0.162 0.000 0.927 56 L HN 0.428 nan 8.230 nan 0.000 0.447 57 T N -5.839 108.758 114.554 0.072 0.000 3.085 57 T HA 0.077 4.428 4.350 0.002 0.000 0.264 57 T C 0.455 175.170 174.700 0.025 0.000 1.019 57 T CA -0.480 61.643 62.100 0.039 0.000 0.910 57 T CB -0.016 68.879 68.868 0.046 0.000 1.059 57 T HN -0.035 nan 8.240 nan 0.000 0.542 58 D N 2.742 123.153 120.400 0.019 0.000 2.316 58 D HA 0.241 4.882 4.640 0.002 0.000 0.245 58 D C -1.716 174.589 176.300 0.008 0.000 1.171 58 D CA -2.128 51.877 54.000 0.007 0.000 0.856 58 D CB 2.023 42.820 40.800 -0.006 0.000 1.090 58 D HN 0.011 nan 8.370 nan 0.000 0.476 59 P HA -0.035 nan 4.420 nan 0.000 0.223 59 P C 0.984 178.294 177.300 0.017 0.000 1.144 59 P CA 0.749 63.859 63.100 0.016 0.000 0.783 59 P CB 0.303 32.012 31.700 0.016 0.000 0.771 60 R N -1.149 119.357 120.500 0.011 0.000 2.236 60 R HA 0.099 4.440 4.340 0.002 0.000 0.208 60 R C 0.495 176.804 176.300 0.015 0.000 1.036 60 R CA 0.341 56.450 56.100 0.014 0.000 1.001 60 R CB -0.306 29.998 30.300 0.006 0.000 0.896 60 R HN 0.242 nan 8.270 nan 0.000 0.464 61 L N 2.177 123.399 121.223 -0.002 0.000 2.264 61 L HA 0.270 4.611 4.340 0.002 0.000 0.287 61 L C -0.191 176.663 176.870 -0.027 0.000 1.039 61 L CA -0.777 54.048 54.840 -0.025 0.000 0.829 61 L CB 1.357 43.381 42.059 -0.059 0.000 1.211 61 L HN -0.119 nan 8.230 nan 0.000 0.427 62 V N 0.413 120.328 119.914 0.002 0.000 3.096 62 V HA 0.546 4.667 4.120 0.002 0.000 0.319 62 V C 0.651 176.742 176.094 -0.004 0.000 1.103 62 V CA -0.847 61.462 62.300 0.015 0.000 1.016 62 V CB 2.149 34.016 31.823 0.073 0.000 1.090 62 V HN 0.525 nan 8.190 nan 0.000 0.449 63 K N -0.142 120.251 120.400 -0.011 0.000 2.314 63 K HA 0.102 4.422 4.320 0.002 0.000 0.198 63 K C 0.530 177.245 176.600 0.192 0.000 1.045 63 K CA 0.504 56.779 56.287 -0.020 0.000 0.988 63 K CB -0.362 32.083 32.500 -0.092 0.000 0.783 63 K HN 0.926 nan 8.250 nan 0.000 0.484 64 D N 2.202 122.705 120.400 0.172 0.000 2.536 64 D HA -0.128 4.513 4.640 0.002 0.000 0.260 64 D C 0.999 177.360 176.300 0.103 0.000 1.270 64 D CA 0.118 54.196 54.000 0.130 0.000 0.934 64 D CB 0.049 40.904 40.800 0.092 0.000 1.129 64 D HN 0.078 nan 8.370 nan 0.000 0.533 65 I N 3.616 124.166 120.570 -0.033 0.000 2.700 65 I HA -0.245 3.926 4.170 0.002 0.000 0.261 65 I C 1.389 177.248 176.117 -0.429 0.000 1.219 65 I CA 0.770 61.803 61.300 -0.445 0.000 1.463 65 I CB -0.040 37.630 38.000 -0.550 0.000 1.092 65 I HN 0.401 nan 8.210 nan 0.000 0.452 66 N N -0.559 118.060 118.700 -0.135 0.000 2.453 66 N HA -0.115 4.626 4.740 0.002 0.000 0.183 66 N C 1.530 177.043 175.510 0.005 0.000 1.041 66 N CA 0.651 53.713 53.050 0.020 0.000 0.900 66 N CB 0.226 38.749 38.487 0.059 0.000 0.961 66 N HN 0.194 nan 8.380 nan 0.000 0.443 67 V N -0.159 119.715 119.914 -0.067 0.000 3.129 67 V HA -0.061 4.060 4.120 0.002 0.000 0.259 67 V C 0.313 176.402 176.094 -0.008 0.000 1.116 67 V CA 0.263 62.564 62.300 0.002 0.000 1.127 67 V CB -0.378 31.499 31.823 0.090 0.000 0.742 67 V HN 0.447 nan 8.190 nan 0.000 0.474 68 W N 2.161 123.133 121.300 -0.548 0.000 2.529 68 W HA 0.414 5.075 4.660 0.001 0.000 0.319 68 W C 1.352 177.807 176.519 -0.106 0.000 1.362 68 W CA -0.691 56.361 57.345 -0.488 0.000 1.348 68 W CB 0.256 29.134 29.460 -0.970 0.000 1.403 68 W HN 0.142 nan 8.180 nan 0.000 0.519 69 G N 4.205 113.159 108.800 0.258 0.000 2.491 69 G HA2 -0.289 3.672 3.960 0.002 0.000 0.218 69 G HA3 -0.289 3.672 3.960 0.002 0.000 0.218 69 G C 1.533 176.356 174.900 -0.128 0.000 1.180 69 G CA 1.465 46.607 45.100 0.070 0.000 0.774 69 G HN 0.678 nan 8.290 nan 0.000 0.562 70 A N 0.039 122.673 122.820 -0.310 0.000 1.948 70 A HA -0.133 4.188 4.320 0.002 0.000 0.220 70 A C 2.181 179.382 177.584 -0.639 0.000 1.177 70 A CA 1.689 53.411 52.037 -0.526 0.000 0.636 70 A CB -0.790 17.815 19.000 -0.658 0.000 0.815 70 A HN 0.655 nan 8.150 nan 0.000 0.449 71 W N 0.810 121.487 121.300 -1.038 0.000 2.354 71 W HA -0.205 4.456 4.660 0.001 0.000 0.315 71 W C 2.287 178.594 176.519 -0.354 0.000 1.206 71 W CA 1.915 58.846 57.345 -0.688 0.000 1.290 71 W CB -0.351 28.834 29.460 -0.459 0.000 1.152 71 W HN 0.342 nan 8.180 nan 0.000 0.489 72 R N 0.103 120.524 120.500 -0.133 0.000 2.105 72 R HA -0.174 4.167 4.340 0.002 0.000 0.239 72 R C 1.967 178.128 176.300 -0.232 0.000 1.135 72 R CA 1.554 57.562 56.100 -0.153 0.000 0.967 72 R CB -0.529 29.752 30.300 -0.030 0.000 0.861 72 R HN 0.030 nan 8.270 nan 0.000 0.442 73 R N 0.187 120.548 120.500 -0.231 0.000 2.404 73 R HA 0.072 4.413 4.340 0.002 0.000 0.236 73 R C 0.598 176.736 176.300 -0.270 0.000 1.044 73 R CA 0.472 56.445 56.100 -0.212 0.000 1.133 73 R CB -0.009 30.189 30.300 -0.170 0.000 1.142 73 R HN 0.360 nan 8.270 nan 0.000 0.512 74 G N 1.141 109.716 108.800 -0.375 0.000 2.402 74 G HA2 -0.338 3.623 3.960 0.002 0.000 0.300 74 G HA3 -0.338 3.623 3.960 0.002 0.000 0.300 74 G C 0.457 175.148 174.900 -0.349 0.000 0.987 74 G CA 0.687 45.544 45.100 -0.406 0.000 0.881 74 G HN 0.534 nan 8.290 nan 0.000 0.512 75 E N -1.064 118.912 120.200 -0.373 0.000 2.478 75 E HA 0.119 4.470 4.350 0.002 0.000 0.194 75 E C 0.763 177.140 176.600 -0.372 0.000 1.045 75 E CA -0.082 56.124 56.400 -0.325 0.000 0.868 75 E CB 0.450 29.966 29.700 -0.306 0.000 0.885 75 E HN 0.446 nan 8.360 nan 0.000 0.505 76 I N 2.784 123.089 120.570 -0.441 0.000 2.307 76 I HA 0.227 4.398 4.170 0.002 0.000 0.289 76 I C -2.235 173.742 176.117 -0.235 0.000 1.021 76 I CA -2.932 58.128 61.300 -0.400 0.000 1.224 76 I CB 0.422 38.215 38.000 -0.344 0.000 1.376 76 I HN -0.261 nan 8.210 nan 0.000 0.470 77 P HA 0.049 nan 4.420 nan 0.000 0.264 77 P C 0.707 178.055 177.300 0.081 0.000 1.183 77 P CA 0.019 63.103 63.100 -0.026 0.000 0.763 77 P CB 0.814 32.533 31.700 0.032 0.000 0.807 78 A N 3.182 126.024 122.820 0.036 0.000 2.121 78 A HA -0.139 4.182 4.320 0.002 0.000 0.218 78 A C 1.224 178.892 177.584 0.139 0.000 1.154 78 A CA 1.544 53.629 52.037 0.080 0.000 0.679 78 A CB -0.678 18.334 19.000 0.021 0.000 0.795 78 A HN 0.638 nan 8.150 nan 0.000 0.458 79 D N -2.812 117.670 120.400 0.137 0.000 2.424 79 D HA 0.009 4.650 4.640 0.002 0.000 0.220 79 D C 0.095 176.517 176.300 0.204 0.000 1.150 79 D CA -0.715 53.365 54.000 0.135 0.000 0.831 79 D CB -0.714 40.138 40.800 0.086 0.000 0.981 79 D HN 0.397 nan 8.370 nan 0.000 0.500 80 W N 2.756 124.088 121.300 0.053 0.000 2.417 80 W HA 0.217 4.877 4.660 0.001 0.000 0.332 80 W C -1.700 174.853 176.519 0.057 0.000 1.413 80 W CA -1.992 55.390 57.345 0.062 0.000 1.299 80 W CB 0.628 30.152 29.460 0.106 0.000 1.304 80 W HN -0.088 nan 8.180 nan 0.000 0.565 81 P HA -0.228 nan 4.420 nan 0.000 0.217 81 P C 1.044 178.057 177.300 -0.478 0.000 1.148 81 P CA 1.954 64.883 63.100 -0.285 0.000 0.834 81 P CB 0.098 31.654 31.700 -0.239 0.000 0.783 82 L N -1.991 118.628 121.223 -1.007 0.000 2.667 82 L HA 0.200 4.541 4.340 0.002 0.000 0.232 82 L C 1.981 178.480 176.870 -0.618 0.000 1.138 82 L CA -0.165 54.121 54.840 -0.924 0.000 0.921 82 L CB -0.315 40.998 42.059 -1.243 0.000 1.180 82 L HN -0.065 nan 8.230 nan 0.000 0.487 83 I N 0.758 121.182 120.570 -0.243 0.000 2.335 83 I HA -0.241 3.930 4.170 0.002 0.000 0.251 83 I C 2.260 178.439 176.117 0.105 0.000 1.129 83 I CA 1.556 62.988 61.300 0.220 0.000 1.402 83 I CB 0.065 38.299 38.000 0.390 0.000 1.069 83 I HN 0.347 nan 8.210 nan 0.000 0.424 84 G N 0.545 109.347 108.800 0.003 0.000 2.448 84 G HA2 -0.195 3.766 3.960 0.002 0.000 0.219 84 G HA3 -0.195 3.766 3.960 0.002 0.000 0.219 84 G C 1.582 176.484 174.900 0.004 0.000 1.127 84 G CA 0.552 45.660 45.100 0.013 0.000 0.766 84 G HN 0.418 nan 8.290 nan 0.000 0.552 85 L N 0.017 121.211 121.223 -0.047 0.000 2.209 85 L HA 0.169 4.509 4.340 0.002 0.000 0.207 85 L C 3.197 180.065 176.870 -0.002 0.000 1.094 85 L CA 0.741 55.559 54.840 -0.036 0.000 0.790 85 L CB -0.154 41.851 42.059 -0.090 0.000 0.932 85 L HN 0.287 nan 8.230 nan 0.000 0.447 86 A N -0.350 122.499 122.820 0.049 0.000 1.935 86 A HA -0.087 4.234 4.320 0.002 0.000 0.214 86 A C 1.257 178.870 177.584 0.048 0.000 1.178 86 A CA 1.006 53.114 52.037 0.117 0.000 0.640 86 A CB -0.246 18.983 19.000 0.383 0.000 0.825 86 A HN 0.376 nan 8.150 nan 0.000 0.447 87 N N 0.359 119.072 118.700 0.023 0.000 2.818 87 N HA 0.353 5.094 4.740 0.002 0.000 0.301 87 N C -3.032 172.497 175.510 0.032 0.000 1.821 87 N CA -1.696 51.332 53.050 -0.037 0.000 0.930 87 N CB 0.371 38.794 38.487 -0.107 0.000 1.263 87 N HN 0.121 nan 8.380 nan 0.000 0.487 88 P HA 0.309 nan 4.420 nan 0.000 0.276 88 P C 0.600 177.931 177.300 0.052 0.000 1.261 88 P CA -0.482 62.649 63.100 0.052 0.000 0.800 88 P CB 0.523 32.253 31.700 0.050 0.000 1.066 89 G N -0.101 108.732 108.800 0.056 0.000 2.651 89 G HA2 0.176 4.137 3.960 0.002 0.000 0.260 89 G HA3 0.176 4.137 3.960 0.002 0.000 0.260 89 G C -0.429 174.502 174.900 0.052 0.000 1.216 89 G CA -0.594 44.537 45.100 0.052 0.000 0.913 89 G HN 0.544 nan 8.290 nan 0.000 0.535 90 R N -0.526 120.005 120.500 0.051 0.000 2.489 90 R HA 0.389 4.730 4.340 0.002 0.000 0.287 90 R C 0.053 176.387 176.300 0.057 0.000 1.053 90 R CA 0.730 56.864 56.100 0.056 0.000 1.036 90 R CB 0.172 30.503 30.300 0.052 0.000 0.966 90 R HN 0.775 nan 8.270 nan 0.000 0.432 91 S N 2.793 118.536 115.700 0.072 0.000 2.656 91 S HA 0.072 4.543 4.470 0.002 0.000 0.265 91 S C 0.745 175.417 174.600 0.120 0.000 1.132 91 S CA -0.526 57.721 58.200 0.077 0.000 0.819 91 S CB 0.391 63.631 63.200 0.067 0.000 1.119 91 S HN 0.761 nan 8.310 nan 0.000 0.476 92 M N 0.098 119.776 119.600 0.130 0.000 2.435 92 M HA 0.063 4.543 4.480 0.002 0.000 0.262 92 M C 1.593 178.100 176.300 0.345 0.000 1.065 92 M CA 1.535 56.971 55.300 0.226 0.000 1.076 92 M CB -0.714 31.962 32.600 0.125 0.000 1.403 92 M HN 0.575 nan 8.290 nan 0.000 0.454 93 L N 1.767 123.122 121.223 0.221 0.000 2.156 93 L HA -0.036 4.305 4.340 0.002 0.000 0.208 93 L C 2.206 179.138 176.870 0.103 0.000 1.095 93 L CA 2.054 57.000 54.840 0.176 0.000 0.770 93 L CB -0.416 41.701 42.059 0.096 0.000 0.914 93 L HN 0.621 nan 8.230 nan 0.000 0.439 94 T N -3.109 111.512 114.554 0.112 0.000 3.145 94 T HA 0.364 4.715 4.350 0.002 0.000 0.255 94 T C 0.192 174.950 174.700 0.097 0.000 1.039 94 T CA 0.210 62.353 62.100 0.072 0.000 0.928 94 T CB -0.694 68.210 68.868 0.059 0.000 1.029 94 T HN 0.119 nan 8.240 nan 0.000 0.554 95 V N -2.727 117.283 119.914 0.160 0.000 3.074 95 V HA 0.815 4.936 4.120 0.002 0.000 0.314 95 V C -1.430 174.730 176.094 0.110 0.000 1.117 95 V CA -1.081 61.305 62.300 0.144 0.000 1.014 95 V CB 2.379 34.300 31.823 0.164 0.000 1.057 95 V HN 0.189 nan 8.190 nan 0.000 0.438 96 D N -0.524 119.931 120.400 0.092 0.000 2.744 96 D HA 0.642 5.283 4.640 0.002 0.000 0.304 96 D C 0.349 176.703 176.300 0.091 0.000 1.179 96 D CA 0.527 54.557 54.000 0.049 0.000 1.024 96 D CB 2.018 42.852 40.800 0.056 0.000 1.453 96 D HN 1.371 nan 8.370 nan 0.000 0.529 97 G N 0.273 109.115 108.800 0.069 0.000 2.564 97 G HA2 -0.233 3.728 3.960 0.002 0.000 0.273 97 G HA3 -0.233 3.728 3.960 0.002 0.000 0.273 97 G C 0.995 175.935 174.900 0.068 0.000 1.242 97 G CA 1.219 46.355 45.100 0.061 0.000 0.951 97 G HN 0.745 nan 8.290 nan 0.000 0.564 98 A N -0.226 122.620 122.820 0.043 0.000 1.917 98 A HA -0.065 4.256 4.320 0.002 0.000 0.219 98 A C 2.298 179.899 177.584 0.028 0.000 1.182 98 A CA 2.893 54.946 52.037 0.027 0.000 0.633 98 A CB -0.785 18.226 19.000 0.019 0.000 0.819 98 A HN 1.455 nan 8.150 nan 0.000 0.448 99 E N -1.422 118.807 120.200 0.047 0.000 2.204 99 E HA -0.248 4.103 4.350 0.002 0.000 0.194 99 E C 1.789 178.421 176.600 0.053 0.000 0.989 99 E CA 1.419 57.845 56.400 0.044 0.000 0.824 99 E CB -0.477 29.256 29.700 0.055 0.000 0.756 99 E HN 0.806 nan 8.360 nan 0.000 0.477 100 H N 1.354 120.410 119.070 -0.024 0.000 2.372 100 H HA 0.128 4.685 4.556 0.001 0.000 0.301 100 H C 1.983 177.263 175.328 -0.080 0.000 1.065 100 H CA 1.677 57.689 56.048 -0.061 0.000 1.364 100 H CB 0.196 29.893 29.762 -0.110 0.000 1.406 100 H HN 0.026 nan 8.280 nan 0.000 0.521 101 R N 0.068 120.513 120.500 -0.090 0.000 2.105 101 R HA -0.142 4.199 4.340 0.002 0.000 0.239 101 R C 2.504 178.717 176.300 -0.144 0.000 1.135 101 R CA 1.501 57.519 56.100 -0.136 0.000 0.967 101 R CB -0.221 30.049 30.300 -0.051 0.000 0.861 101 R HN 0.332 nan 8.270 nan 0.000 0.442 102 R N 1.355 121.796 120.500 -0.098 0.000 2.073 102 R HA -0.123 4.218 4.340 0.002 0.000 0.234 102 R C 2.168 178.404 176.300 -0.106 0.000 1.134 102 R CA 1.385 57.436 56.100 -0.081 0.000 0.952 102 R CB -0.301 29.972 30.300 -0.046 0.000 0.850 102 R HN 0.178 nan 8.270 nan 0.000 0.433 103 L N 0.403 121.548 121.223 -0.131 0.000 2.017 103 L HA -0.170 4.171 4.340 0.002 0.000 0.208 103 L C 2.821 179.585 176.870 -0.176 0.000 1.073 103 L CA 1.153 55.913 54.840 -0.132 0.000 0.745 103 L CB -0.489 41.496 42.059 -0.123 0.000 0.894 103 L HN 0.184 nan 8.230 nan 0.000 0.432 104 R N -0.329 119.996 120.500 -0.292 0.000 2.081 104 R HA -0.103 4.238 4.340 0.002 0.000 0.235 104 R C 2.253 178.460 176.300 -0.155 0.000 1.131 104 R CA 1.680 57.627 56.100 -0.256 0.000 0.960 104 R CB -1.385 28.701 30.300 -0.356 0.000 0.856 104 R HN 0.344 nan 8.270 nan 0.000 0.436 105 T N 2.119 116.589 114.554 -0.139 0.000 2.684 105 T HA -0.064 4.286 4.350 0.002 0.000 0.267 105 T C 2.052 176.701 174.700 -0.084 0.000 1.036 105 T CA 1.110 63.151 62.100 -0.099 0.000 1.148 105 T CB -0.161 68.655 68.868 -0.087 0.000 0.863 105 T HN 0.124 nan 8.240 nan 0.000 0.436 106 L N 0.520 121.693 121.223 -0.084 0.000 2.072 106 L HA -0.038 4.303 4.340 0.002 0.000 0.205 106 L C 2.643 179.479 176.870 -0.056 0.000 1.079 106 L CA 0.761 55.561 54.840 -0.066 0.000 0.752 106 L CB -0.546 41.479 42.059 -0.057 0.000 0.906 106 L HN 0.134 nan 8.230 nan 0.000 0.436 107 V N 0.126 120.002 119.914 -0.063 0.000 2.427 107 V HA -0.246 3.874 4.120 0.002 0.000 0.248 107 V C 2.717 178.780 176.094 -0.051 0.000 1.051 107 V CA 1.626 63.895 62.300 -0.052 0.000 1.048 107 V CB -0.822 30.967 31.823 -0.056 0.000 0.666 107 V HN 0.468 nan 8.190 nan 0.000 0.456 108 A N -0.772 122.010 122.820 -0.063 0.000 2.019 108 A HA -0.266 4.055 4.320 0.002 0.000 0.219 108 A C 2.158 179.713 177.584 -0.048 0.000 1.164 108 A CA 1.668 53.671 52.037 -0.057 0.000 0.644 108 A CB -0.401 18.561 19.000 -0.064 0.000 0.805 108 A HN 0.642 nan 8.150 nan 0.000 0.449 109 Q N -0.968 118.804 119.800 -0.048 0.000 2.230 109 Q HA 0.026 4.367 4.340 0.002 0.000 0.202 109 Q C 2.259 178.237 176.000 -0.036 0.000 0.963 109 Q CA 1.034 56.812 55.803 -0.042 0.000 0.866 109 Q CB -0.204 28.508 28.738 -0.043 0.000 0.931 109 Q HN 0.715 nan 8.270 nan 0.000 0.452 110 A N 0.555 123.356 122.820 -0.033 0.000 1.881 110 A HA 0.025 4.346 4.320 0.002 0.000 0.210 110 A C 1.031 178.598 177.584 -0.029 0.000 1.239 110 A CA 0.141 52.162 52.037 -0.027 0.000 0.629 110 A CB -0.114 18.875 19.000 -0.019 0.000 0.906 110 A HN 0.275 nan 8.150 nan 0.000 0.460 111 L N 2.885 124.090 121.223 -0.029 0.000 2.399 111 L HA 0.289 4.630 4.340 0.002 0.000 0.257 111 L C 0.500 177.350 176.870 -0.034 0.000 1.236 111 L CA 0.221 55.044 54.840 -0.028 0.000 1.144 111 L CB -0.748 41.294 42.059 -0.028 0.000 1.379 111 L HN 0.435 nan 8.230 nan 0.000 0.414 112 T N -1.166 113.369 114.554 -0.031 0.000 2.902 112 T HA 0.308 4.658 4.350 0.002 0.000 0.280 112 T C 1.426 176.115 174.700 -0.019 0.000 0.992 112 T CA -0.565 61.517 62.100 -0.030 0.000 1.015 112 T CB 1.398 70.247 68.868 -0.032 0.000 1.044 112 T HN 0.057 nan 8.240 nan 0.000 0.520 113 V N 1.233 121.138 119.914 -0.015 0.000 2.407 113 V HA -0.118 4.003 4.120 0.002 0.000 0.248 113 V C 2.977 179.088 176.094 0.029 0.000 1.055 113 V CA 2.072 64.369 62.300 -0.004 0.000 1.049 113 V CB -1.021 30.798 31.823 -0.006 0.000 0.662 113 V HN 0.939 nan 8.190 nan 0.000 0.455 114 R N 0.258 120.778 120.500 0.034 0.000 2.083 114 R HA -0.217 4.124 4.340 0.002 0.000 0.237 114 R C 2.529 178.900 176.300 0.118 0.000 1.137 114 R CA 2.080 58.233 56.100 0.088 0.000 0.951 114 R CB -0.316 29.990 30.300 0.011 0.000 0.851 114 R HN 0.431 nan 8.270 nan 0.000 0.434 115 R N 0.004 120.512 120.500 0.014 0.000 2.081 115 R HA -0.107 4.234 4.340 0.002 0.000 0.235 115 R C 2.045 178.386 176.300 0.067 0.000 1.131 115 R CA 1.697 57.802 56.100 0.008 0.000 0.960 115 R CB -0.171 30.117 30.300 -0.020 0.000 0.856 115 R HN 0.160 nan 8.270 nan 0.000 0.436 116 V N 1.365 121.307 119.914 0.048 0.000 2.358 116 V HA -0.193 3.928 4.120 0.002 0.000 0.246 116 V C 2.269 178.398 176.094 0.058 0.000 1.047 116 V CA 1.765 64.088 62.300 0.038 0.000 1.035 116 V CB -0.399 31.429 31.823 0.008 0.000 0.658 116 V HN 0.358 nan 8.190 nan 0.000 0.452 117 E N -0.159 120.090 120.200 0.082 0.000 2.085 117 E HA -0.228 4.123 4.350 0.002 0.000 0.194 117 E C 2.073 178.687 176.600 0.024 0.000 0.994 117 E CA 1.505 57.935 56.400 0.050 0.000 0.801 117 E CB -0.405 29.329 29.700 0.057 0.000 0.743 117 E HN 0.722 nan 8.360 nan 0.000 0.453 118 H N -0.782 118.286 119.070 -0.003 0.000 2.561 118 H HA 0.065 4.622 4.556 0.002 0.000 0.278 118 H C 1.553 176.882 175.328 0.001 0.000 1.014 118 H CA 0.648 56.695 56.048 -0.001 0.000 1.211 118 H CB 0.117 29.878 29.762 -0.002 0.000 1.365 118 H HN 0.026 nan 8.280 nan 0.000 0.594 119 M N -0.951 118.705 119.600 0.093 0.000 2.509 119 M HA 0.050 4.531 4.480 0.002 0.000 0.250 119 M C 2.057 178.374 176.300 0.029 0.000 1.132 119 M CA 0.452 55.785 55.300 0.056 0.000 1.080 119 M CB -0.205 32.423 32.600 0.046 0.000 1.408 119 M HN 0.217 nan 8.290 nan 0.000 0.484 120 R N 0.483 120.990 120.500 0.013 0.000 2.113 120 R HA -0.182 4.159 4.340 0.002 0.000 0.244 120 R C 2.116 178.416 176.300 0.000 0.000 1.142 120 R CA 2.081 58.181 56.100 -0.000 0.000 0.953 120 R CB -0.560 29.729 30.300 -0.017 0.000 0.860 120 R HN 0.438 nan 8.270 nan 0.000 0.438 121 G N 0.253 109.050 108.800 -0.005 0.000 2.446 121 G HA2 -0.334 3.627 3.960 0.002 0.000 0.217 121 G HA3 -0.334 3.627 3.960 0.002 0.000 0.217 121 G C 1.489 176.395 174.900 0.010 0.000 1.168 121 G CA 0.956 46.055 45.100 -0.002 0.000 0.771 121 G HN 0.258 nan 8.290 nan 0.000 0.551 122 R N 0.687 121.197 120.500 0.018 0.000 2.096 122 R HA 0.102 4.443 4.340 0.002 0.000 0.235 122 R C 2.503 178.822 176.300 0.030 0.000 1.127 122 R CA 1.073 57.187 56.100 0.024 0.000 0.968 122 R CB -0.727 29.590 30.300 0.028 0.000 0.861 122 R HN 0.456 nan 8.270 nan 0.000 0.440 123 I N -0.217 120.370 120.570 0.029 0.000 2.286 123 I HA -0.261 3.910 4.170 0.002 0.000 0.248 123 I C 1.755 177.893 176.117 0.034 0.000 1.115 123 I CA 1.725 63.044 61.300 0.031 0.000 1.392 123 I CB -0.417 37.595 38.000 0.020 0.000 1.065 123 I HN 0.209 nan 8.210 nan 0.000 0.418 124 T N 0.257 114.826 114.554 0.025 0.000 2.746 124 T HA -0.179 4.172 4.350 0.002 0.000 0.267 124 T C 1.721 176.443 174.700 0.038 0.000 1.039 124 T CA 1.420 63.535 62.100 0.026 0.000 1.142 124 T CB -0.217 68.657 68.868 0.010 0.000 0.866 124 T HN 0.435 nan 8.240 nan 0.000 0.444 125 E N 0.750 120.970 120.200 0.033 0.000 2.047 125 E HA -0.022 4.329 4.350 0.002 0.000 0.191 125 E C 2.262 178.895 176.600 0.055 0.000 0.987 125 E CA 0.822 57.243 56.400 0.034 0.000 0.799 125 E CB -0.281 29.432 29.700 0.021 0.000 0.752 125 E HN 0.386 nan 8.360 nan 0.000 0.449 126 L N 0.797 122.060 121.223 0.066 0.000 2.083 126 L HA -0.180 4.161 4.340 0.002 0.000 0.209 126 L C 2.547 179.504 176.870 0.145 0.000 1.083 126 L CA 1.210 56.115 54.840 0.107 0.000 0.752 126 L CB -0.557 41.582 42.059 0.132 0.000 0.899 126 L HN 0.192 nan 8.230 nan 0.000 0.433 127 T N -1.326 113.303 114.554 0.125 0.000 2.737 127 T HA -0.206 4.145 4.350 0.002 0.000 0.265 127 T C 1.517 176.350 174.700 0.223 0.000 1.038 127 T CA 1.562 63.778 62.100 0.194 0.000 1.144 127 T CB -0.247 68.722 68.868 0.168 0.000 0.866 127 T HN 0.323 nan 8.240 nan 0.000 0.434 128 D N 1.030 121.507 120.400 0.129 0.000 2.104 128 D HA -0.104 4.537 4.640 0.002 0.000 0.194 128 D C 2.345 178.706 176.300 0.102 0.000 0.994 128 D CA 1.254 55.307 54.000 0.089 0.000 0.830 128 D CB -0.090 40.738 40.800 0.047 0.000 0.959 128 D HN 0.256 nan 8.370 nan 0.000 0.452 129 R N -0.406 120.157 120.500 0.105 0.000 2.081 129 R HA -0.059 4.282 4.340 0.002 0.000 0.235 129 R C 2.632 179.024 176.300 0.154 0.000 1.131 129 R CA 0.871 57.033 56.100 0.103 0.000 0.960 129 R CB -0.358 29.989 30.300 0.079 0.000 0.856 129 R HN 0.295 nan 8.270 nan 0.000 0.436 130 L N 0.522 121.879 121.223 0.224 0.000 2.056 130 L HA -0.174 4.167 4.340 0.002 0.000 0.207 130 L C 2.324 179.363 176.870 0.281 0.000 1.078 130 L CA 1.126 56.141 54.840 0.293 0.000 0.749 130 L CB -0.313 41.971 42.059 0.376 0.000 0.901 130 L HN 0.212 nan 8.230 nan 0.000 0.433 131 L N -0.670 120.706 121.223 0.254 0.000 2.141 131 L HA -0.217 4.124 4.340 0.002 0.000 0.209 131 L C 2.100 179.058 176.870 0.146 0.000 1.094 131 L CA 0.864 55.803 54.840 0.165 0.000 0.763 131 L CB -0.603 41.499 42.059 0.073 0.000 0.908 131 L HN 0.274 nan 8.230 nan 0.000 0.437 132 D N -0.105 120.361 120.400 0.109 0.000 2.178 132 D HA -0.162 4.479 4.640 0.002 0.000 0.201 132 D C 2.103 178.461 176.300 0.096 0.000 0.980 132 D CA 0.895 54.943 54.000 0.079 0.000 0.842 132 D CB -0.007 40.828 40.800 0.059 0.000 0.948 132 D HN 0.279 nan 8.370 nan 0.000 0.472 133 E N 0.075 120.345 120.200 0.116 0.000 2.274 133 E HA -0.001 4.350 4.350 0.002 0.000 0.194 133 E C 0.812 177.472 176.600 0.101 0.000 0.996 133 E CA 0.097 56.560 56.400 0.105 0.000 0.840 133 E CB 0.138 29.910 29.700 0.120 0.000 0.772 133 E HN 0.363 nan 8.360 nan 0.000 0.491 134 L N 2.437 123.738 121.223 0.129 0.000 2.349 134 L HA 0.224 4.564 4.340 0.002 0.000 0.275 134 L C -2.109 174.863 176.870 0.171 0.000 1.115 134 L CA -1.797 53.108 54.840 0.108 0.000 0.820 134 L CB 0.501 42.599 42.059 0.066 0.000 1.135 134 L HN -0.183 nan 8.230 nan 0.000 0.445 135 P HA 0.223 nan 4.420 nan 0.000 0.284 135 P C -0.517 176.890 177.300 0.179 0.000 1.258 135 P CA -0.572 62.596 63.100 0.114 0.000 0.824 135 P CB 1.262 32.991 31.700 0.049 0.000 1.038 136 A N 0.084 123.047 122.820 0.238 0.000 2.359 136 A HA 0.348 4.669 4.320 0.002 0.000 0.240 136 A C 0.894 178.564 177.584 0.145 0.000 1.306 136 A CA 0.300 52.534 52.037 0.328 0.000 0.898 136 A CB -1.778 17.367 19.000 0.242 0.000 0.956 136 A HN 0.640 nan 8.150 nan 0.000 0.497 137 D N -0.997 119.443 120.400 0.067 0.000 2.363 137 D HA 0.405 5.046 4.640 0.002 0.000 0.240 137 D C 1.122 177.425 176.300 0.005 0.000 1.236 137 D CA 0.088 54.105 54.000 0.028 0.000 0.927 137 D CB 0.392 41.198 40.800 0.009 0.000 1.150 137 D HN 0.390 nan 8.370 nan 0.000 0.458 138 G N -1.045 107.757 108.800 0.004 0.000 3.284 138 G HA2 0.474 4.435 3.960 0.002 0.000 0.236 138 G HA3 0.474 4.435 3.960 0.002 0.000 0.236 138 G C 0.882 175.771 174.900 -0.019 0.000 1.158 138 G CA 0.804 45.901 45.100 -0.005 0.000 0.774 138 G HN 0.853 nan 8.290 nan 0.000 0.545 139 G N -0.448 108.337 108.800 -0.026 0.000 2.588 139 G HA2 0.411 4.372 3.960 0.002 0.000 0.278 139 G HA3 0.411 4.372 3.960 0.002 0.000 0.278 139 G C -0.624 174.250 174.900 -0.044 0.000 1.307 139 G CA -0.315 44.768 45.100 -0.029 0.000 1.016 139 G HN 0.140 nan 8.290 nan 0.000 0.503 140 V N -0.239 119.652 119.914 -0.039 0.000 2.394 140 V HA 0.505 4.626 4.120 0.002 0.000 0.282 140 V C -0.073 175.992 176.094 -0.048 0.000 1.031 140 V CA -0.590 61.684 62.300 -0.044 0.000 0.881 140 V CB 1.100 32.905 31.823 -0.030 0.000 0.982 140 V HN 0.513 nan 8.190 nan 0.000 0.451 141 V N 3.760 123.635 119.914 -0.065 0.000 2.735 141 V HA 0.540 4.661 4.120 0.002 0.000 0.310 141 V C -0.802 175.264 176.094 -0.045 0.000 1.061 141 V CA -0.609 61.655 62.300 -0.060 0.000 0.913 141 V CB 2.258 34.024 31.823 -0.096 0.000 1.005 141 V HN 0.955 nan 8.190 nan 0.000 0.428 142 D N 4.859 125.246 120.400 -0.020 0.000 2.402 142 D HA 0.086 4.727 4.640 0.002 0.000 0.235 142 D C 0.816 177.123 176.300 0.011 0.000 1.226 142 D CA -0.124 53.876 54.000 -0.000 0.000 0.918 142 D CB 1.046 41.852 40.800 0.010 0.000 1.043 142 D HN 0.506 nan 8.370 nan 0.000 0.506 143 L N 4.394 125.620 121.223 0.005 0.000 2.265 143 L HA -0.083 4.258 4.340 0.002 0.000 0.215 143 L C 2.098 179.033 176.870 0.108 0.000 1.117 143 L CA 1.565 56.428 54.840 0.038 0.000 0.782 143 L CB -0.361 41.699 42.059 0.001 0.000 0.914 143 L HN 0.389 nan 8.230 nan 0.000 0.441 144 K N -0.795 119.653 120.400 0.081 0.000 1.984 144 K HA -0.143 4.178 4.320 0.002 0.000 0.209 144 K C 2.036 178.704 176.600 0.112 0.000 1.046 144 K CA 1.325 57.669 56.287 0.095 0.000 0.934 144 K CB -0.261 32.284 32.500 0.076 0.000 0.717 144 K HN 0.359 nan 8.250 nan 0.000 0.438 145 A N 0.835 123.692 122.820 0.062 0.000 1.933 145 A HA -0.088 4.233 4.320 0.002 0.000 0.218 145 A C 2.212 179.836 177.584 0.067 0.000 1.175 145 A CA 1.948 53.998 52.037 0.021 0.000 0.628 145 A CB -0.649 18.335 19.000 -0.027 0.000 0.814 145 A HN 0.509 nan 8.150 nan 0.000 0.444 146 A N -3.097 119.776 122.820 0.088 0.000 2.123 146 A HA 0.376 4.697 4.320 0.002 0.000 0.214 146 A C 1.606 179.322 177.584 0.220 0.000 1.152 146 A CA 1.382 53.491 52.037 0.120 0.000 0.728 146 A CB -0.224 18.825 19.000 0.082 0.000 0.814 146 A HN 0.680 nan 8.150 nan 0.000 0.464 147 F N -1.900 118.063 119.950 0.022 0.000 1.964 147 F HA 0.427 4.955 4.527 0.002 0.000 0.248 147 F C 2.192 177.996 175.800 0.007 0.000 1.051 147 F CA 0.441 58.452 58.000 0.019 0.000 1.221 147 F CB -0.480 38.522 39.000 0.005 0.000 1.497 147 F HN 0.084 nan 8.300 nan 0.000 0.653 148 A N 0.026 122.822 122.820 -0.039 0.000 1.908 148 A HA -0.234 4.087 4.320 0.002 0.000 0.218 148 A C 2.044 179.505 177.584 -0.204 0.000 1.181 148 A CA 2.146 54.074 52.037 -0.181 0.000 0.627 148 A CB -1.663 17.331 19.000 -0.010 0.000 0.818 148 A HN 0.657 nan 8.150 nan 0.000 0.445 149 Y N 0.857 121.047 120.300 -0.185 0.000 2.133 149 Y HA -0.085 4.466 4.550 0.001 0.000 0.287 149 Y C -0.518 175.279 175.900 -0.172 0.000 1.134 149 Y CA 2.396 60.387 58.100 -0.182 0.000 1.133 149 Y CB -0.766 37.648 38.460 -0.076 0.000 0.987 149 Y HN 0.291 nan 8.280 nan 0.000 0.502 150 P HA -0.170 nan 4.420 nan 0.000 0.217 150 P C 1.659 178.597 177.300 -0.603 0.000 1.150 150 P CA 1.141 64.035 63.100 -0.343 0.000 0.832 150 P CB -0.098 31.376 31.700 -0.376 0.000 0.787 151 L N 0.662 121.633 121.223 -0.420 0.000 1.978 151 L HA -0.127 4.214 4.340 0.002 0.000 0.218 151 L C -0.814 175.953 176.870 -0.172 0.000 1.075 151 L CA 2.904 57.562 54.840 -0.303 0.000 0.767 151 L CB -2.262 39.552 42.059 -0.407 0.000 0.890 151 L HN 0.021 nan 8.230 nan 0.000 0.434 152 P HA -0.179 nan 4.420 nan 0.000 0.218 152 P C 1.961 179.304 177.300 0.072 0.000 1.148 152 P CA 1.674 64.726 63.100 -0.080 0.000 0.822 152 P CB -0.188 31.394 31.700 -0.196 0.000 0.784 153 M N -1.915 117.754 119.600 0.114 0.000 2.123 153 M HA -0.177 4.304 4.480 0.002 0.000 0.263 153 M C 1.876 178.321 176.300 0.242 0.000 1.069 153 M CA 1.874 57.321 55.300 0.245 0.000 1.133 153 M CB -0.582 32.169 32.600 0.252 0.000 1.356 153 M HN -0.075 nan 8.290 nan 0.000 0.415 154 Y N -0.402 119.955 120.300 0.095 0.000 2.181 154 Y HA -0.235 4.315 4.550 0.001 0.000 0.288 154 Y C 2.396 178.320 175.900 0.041 0.000 1.146 154 Y CA 0.886 59.018 58.100 0.054 0.000 1.164 154 Y CB -0.348 38.134 38.460 0.037 0.000 0.982 154 Y HN 0.093 nan 8.280 nan 0.000 0.515 155 V N -0.821 119.210 119.914 0.194 0.000 2.270 155 V HA -0.271 3.850 4.120 0.002 0.000 0.245 155 V C 2.200 178.351 176.094 0.095 0.000 1.043 155 V CA 1.584 63.951 62.300 0.110 0.000 1.014 155 V CB -0.724 31.134 31.823 0.058 0.000 0.645 155 V HN 0.273 nan 8.190 nan 0.000 0.447 156 V N 0.065 120.042 119.914 0.105 0.000 2.407 156 V HA -0.227 3.894 4.120 0.002 0.000 0.248 156 V C 2.567 178.719 176.094 0.097 0.000 1.055 156 V CA 2.141 64.499 62.300 0.096 0.000 1.049 156 V CB -0.386 31.507 31.823 0.117 0.000 0.662 156 V HN 0.528 nan 8.190 nan 0.000 0.455 157 A N -0.565 122.326 122.820 0.119 0.000 1.898 157 A HA -0.273 4.048 4.320 0.002 0.000 0.216 157 A C 1.987 179.606 177.584 0.058 0.000 1.181 157 A CA 2.156 54.245 52.037 0.085 0.000 0.620 157 A CB -0.824 18.233 19.000 0.096 0.000 0.819 157 A HN 0.688 nan 8.150 nan 0.000 0.442 158 D N -0.802 119.636 120.400 0.064 0.000 2.097 158 D HA -0.151 4.490 4.640 0.002 0.000 0.195 158 D C 1.830 178.150 176.300 0.034 0.000 0.989 158 D CA 1.322 55.347 54.000 0.041 0.000 0.827 158 D CB -0.130 40.697 40.800 0.044 0.000 0.966 158 D HN 0.257 nan 8.370 nan 0.000 0.456 159 L N 0.129 121.377 121.223 0.042 0.000 1.989 159 L HA -0.100 4.241 4.340 0.002 0.000 0.211 159 L C 2.007 178.892 176.870 0.024 0.000 1.071 159 L CA 1.764 56.623 54.840 0.032 0.000 0.749 159 L CB -0.469 41.611 42.059 0.034 0.000 0.890 159 L HN 0.179 nan 8.230 nan 0.000 0.431 160 M N -0.946 118.671 119.600 0.029 0.000 2.619 160 M HA 0.173 4.654 4.480 0.002 0.000 0.251 160 M C 1.302 177.610 176.300 0.014 0.000 1.106 160 M CA 0.819 56.132 55.300 0.021 0.000 1.086 160 M CB -0.325 32.292 32.600 0.028 0.000 1.465 160 M HN 0.514 nan 8.290 nan 0.000 0.506 161 G N 1.975 110.783 108.800 0.014 0.000 2.160 161 G HA2 -0.244 3.717 3.960 0.002 0.000 0.251 161 G HA3 -0.244 3.717 3.960 0.002 0.000 0.251 161 G C 0.028 174.929 174.900 0.003 0.000 1.008 161 G CA -0.294 44.810 45.100 0.006 0.000 0.724 161 G HN 0.476 nan 8.290 nan 0.000 0.514 162 I N 0.911 121.485 120.570 0.006 0.000 2.529 162 I HA 0.146 4.317 4.170 0.002 0.000 0.284 162 I C 1.055 177.167 176.117 -0.007 0.000 1.082 162 I CA -0.336 60.963 61.300 -0.002 0.000 1.406 162 I CB 0.599 38.598 38.000 -0.001 0.000 1.405 162 I HN 0.188 nan 8.210 nan 0.000 0.548 163 E N 4.393 124.585 120.200 -0.014 0.000 2.529 163 E HA -0.064 4.287 4.350 0.002 0.000 0.259 163 E C 1.201 177.789 176.600 -0.021 0.000 0.966 163 E CA 0.481 56.870 56.400 -0.017 0.000 0.937 163 E CB 0.615 30.304 29.700 -0.018 0.000 0.923 163 E HN 0.760 nan 8.360 nan 0.000 0.468 164 E N 3.154 123.339 120.200 -0.026 0.000 2.209 164 E HA -0.221 4.130 4.350 0.002 0.000 0.196 164 E C 1.918 178.499 176.600 -0.033 0.000 0.993 164 E CA 1.542 57.919 56.400 -0.037 0.000 0.819 164 E CB -0.489 29.179 29.700 -0.054 0.000 0.745 164 E HN 0.630 nan 8.360 nan 0.000 0.477 165 A N 0.539 123.343 122.820 -0.027 0.000 2.070 165 A HA -0.116 4.205 4.320 0.002 0.000 0.220 165 A C 2.184 179.755 177.584 -0.023 0.000 1.159 165 A CA 1.241 53.265 52.037 -0.023 0.000 0.656 165 A CB -0.151 18.837 19.000 -0.020 0.000 0.800 165 A HN 0.344 nan 8.150 nan 0.000 0.453 166 R N -0.518 119.965 120.500 -0.029 0.000 2.275 166 R HA 0.150 4.491 4.340 0.002 0.000 0.199 166 R C 1.697 177.966 176.300 -0.051 0.000 0.989 166 R CA 0.243 56.318 56.100 -0.041 0.000 1.016 166 R CB -0.578 29.692 30.300 -0.049 0.000 0.918 166 R HN 0.554 nan 8.270 nan 0.000 0.473 167 L N 0.940 122.147 121.223 -0.025 0.000 2.013 167 L HA -0.184 4.157 4.340 0.002 0.000 0.212 167 L C -0.588 176.284 176.870 0.003 0.000 1.073 167 L CA 1.864 56.707 54.840 0.005 0.000 0.753 167 L CB -1.545 40.556 42.059 0.070 0.000 0.890 167 L HN 0.091 nan 8.230 nan 0.000 0.432 168 P HA -0.175 nan 4.420 nan 0.000 0.215 168 P C 1.428 178.716 177.300 -0.021 0.000 1.157 168 P CA 1.124 64.233 63.100 0.015 0.000 0.863 168 P CB 0.011 31.720 31.700 0.016 0.000 0.787 169 R N -0.250 120.223 120.500 -0.045 0.000 2.092 169 R HA -0.076 4.265 4.340 0.002 0.000 0.231 169 R C 2.046 178.266 176.300 -0.134 0.000 1.119 169 R CA 1.136 57.197 56.100 -0.064 0.000 0.970 169 R CB -1.693 28.572 30.300 -0.058 0.000 0.864 169 R HN 0.055 nan 8.270 nan 0.000 0.440 170 L N 1.023 122.121 121.223 -0.207 0.000 2.042 170 L HA -0.120 4.221 4.340 0.002 0.000 0.210 170 L C 2.131 178.641 176.870 -0.600 0.000 1.076 170 L CA 1.983 56.551 54.840 -0.455 0.000 0.749 170 L CB -0.537 41.239 42.059 -0.472 0.000 0.893 170 L HN 0.220 nan 8.230 nan 0.000 0.432 171 K N -1.214 119.021 120.400 -0.274 0.000 2.097 171 K HA -0.115 4.206 4.320 0.002 0.000 0.205 171 K C 1.921 178.551 176.600 0.049 0.000 1.050 171 K CA 1.523 57.779 56.287 -0.053 0.000 0.938 171 K CB -0.040 32.515 32.500 0.092 0.000 0.718 171 K HN 0.287 nan 8.250 nan 0.000 0.442 172 V N 1.852 121.768 119.914 0.003 0.000 2.343 172 V HA -0.261 3.860 4.120 0.002 0.000 0.247 172 V C 2.301 178.438 176.094 0.071 0.000 1.051 172 V CA 1.564 63.890 62.300 0.044 0.000 1.036 172 V CB -0.324 31.510 31.823 0.017 0.000 0.654 172 V HN 0.323 nan 8.190 nan 0.000 0.451 173 L N -1.464 119.760 121.223 0.000 0.000 2.046 173 L HA -0.157 4.184 4.340 0.002 0.000 0.208 173 L C 2.509 179.516 176.870 0.228 0.000 1.077 173 L CA 1.479 56.345 54.840 0.043 0.000 0.747 173 L CB -0.665 41.352 42.059 -0.070 0.000 0.896 173 L HN 0.236 nan 8.230 nan 0.000 0.432 174 F N 0.416 120.432 119.950 0.111 0.000 2.095 174 F HA -0.224 4.304 4.527 0.002 0.000 0.298 174 F C 2.756 178.816 175.800 0.432 0.000 1.104 174 F CA 1.253 59.403 58.000 0.250 0.000 1.232 174 F CB -0.936 38.172 39.000 0.179 0.000 0.987 174 F HN 0.182 nan 8.300 nan 0.000 0.475 175 E N 1.088 121.609 120.200 0.536 0.000 2.058 175 E HA -0.228 4.123 4.350 0.002 0.000 0.194 175 E C 2.080 178.854 176.600 0.290 0.000 0.997 175 E CA 1.511 58.146 56.400 0.391 0.000 0.801 175 E CB -0.113 29.721 29.700 0.223 0.000 0.746 175 E HN 0.379 nan 8.360 nan 0.000 0.450 176 K N -0.496 120.040 120.400 0.226 0.000 2.057 176 K HA -0.131 4.190 4.320 0.002 0.000 0.206 176 K C 2.184 178.867 176.600 0.137 0.000 1.050 176 K CA 1.314 57.693 56.287 0.154 0.000 0.935 176 K CB -0.396 32.178 32.500 0.122 0.000 0.715 176 K HN 0.080 nan 8.250 nan 0.000 0.439 177 F N 0.723 120.669 119.950 -0.007 0.000 2.095 177 F HA -0.163 4.364 4.527 0.001 0.000 0.298 177 F C 1.525 177.176 175.800 -0.248 0.000 1.104 177 F CA 1.519 59.404 58.000 -0.192 0.000 1.232 177 F CB -0.149 38.624 39.000 -0.378 0.000 0.987 177 F HN -0.094 nan 8.300 nan 0.000 0.475 178 F N -0.665 119.328 119.950 0.073 0.000 2.743 178 F HA 0.135 4.663 4.527 0.002 0.000 0.297 178 F C 1.527 177.300 175.800 -0.044 0.000 1.131 178 F CA 0.309 58.281 58.000 -0.045 0.000 1.426 178 F CB -0.567 38.507 39.000 0.123 0.000 1.116 178 F HN -0.201 nan 8.300 nan 0.000 0.583 179 S N 0.615 116.406 115.700 0.151 0.000 2.537 179 S HA -0.016 4.455 4.470 0.002 0.000 0.286 179 S C 1.538 176.156 174.600 0.030 0.000 1.299 179 S CA 0.138 58.398 58.200 0.101 0.000 1.067 179 S CB 0.576 63.839 63.200 0.104 0.000 0.864 179 S HN 0.419 nan 8.310 nan 0.000 0.494 180 T N 2.610 117.187 114.554 0.037 0.000 3.072 180 T HA 0.004 4.355 4.350 0.002 0.000 0.266 180 T C 1.227 175.943 174.700 0.026 0.000 1.127 180 T CA 0.737 62.843 62.100 0.010 0.000 1.107 180 T CB -0.196 68.688 68.868 0.027 0.000 0.910 180 T HN 0.770 nan 8.240 nan 0.000 0.513 181 Q N 0.874 120.704 119.800 0.051 0.000 2.402 181 Q HA 0.119 4.460 4.340 0.002 0.000 0.206 181 Q C 0.269 176.287 176.000 0.031 0.000 0.919 181 Q CA 0.276 56.109 55.803 0.051 0.000 0.923 181 Q CB 0.148 28.928 28.738 0.069 0.000 1.048 181 Q HN 0.415 nan 8.270 nan 0.000 0.515 182 T N 3.792 118.358 114.554 0.020 0.000 2.853 182 T HA 0.128 4.479 4.350 0.002 0.000 0.298 182 T C -2.288 172.410 174.700 -0.003 0.000 0.978 182 T CA -0.919 61.188 62.100 0.012 0.000 1.152 182 T CB 0.506 69.377 68.868 0.005 0.000 0.914 182 T HN -0.003 nan 8.240 nan 0.000 0.539 183 P HA 0.144 nan 4.420 nan 0.000 0.269 183 P C -1.821 175.479 177.300 0.000 0.000 1.215 183 P CA -1.410 61.694 63.100 0.007 0.000 0.780 183 P CB 0.125 31.835 31.700 0.016 0.000 0.898 184 P HA -0.236 nan 4.420 nan 0.000 0.216 184 P C 1.394 178.705 177.300 0.018 0.000 1.157 184 P CA 1.469 64.569 63.100 0.001 0.000 0.880 184 P CB -0.025 31.682 31.700 0.013 0.000 0.791 185 E N -0.206 120.009 120.200 0.025 0.000 2.110 185 E HA -0.252 4.099 4.350 0.002 0.000 0.193 185 E C 2.039 178.659 176.600 0.034 0.000 0.988 185 E CA 1.013 57.432 56.400 0.032 0.000 0.804 185 E CB -0.200 29.517 29.700 0.029 0.000 0.745 185 E HN 0.260 nan 8.360 nan 0.000 0.458 186 E N -0.307 119.911 120.200 0.030 0.000 2.152 186 E HA -0.124 4.227 4.350 0.002 0.000 0.192 186 E C 2.025 178.654 176.600 0.049 0.000 0.983 186 E CA 0.807 57.228 56.400 0.036 0.000 0.818 186 E CB 0.289 30.008 29.700 0.032 0.000 0.758 186 E HN 0.147 nan 8.360 nan 0.000 0.467 187 V N 0.292 120.229 119.914 0.039 0.000 2.358 187 V HA -0.221 3.900 4.120 0.002 0.000 0.246 187 V C 2.325 178.487 176.094 0.113 0.000 1.047 187 V CA 1.260 63.596 62.300 0.060 0.000 1.035 187 V CB -0.149 31.653 31.823 -0.034 0.000 0.658 187 V HN 0.196 nan 8.190 nan 0.000 0.452 188 V N 0.439 120.400 119.914 0.077 0.000 2.295 188 V HA -0.269 3.852 4.120 0.002 0.000 0.246 188 V C 2.712 178.847 176.094 0.067 0.000 1.049 188 V CA 2.105 64.453 62.300 0.079 0.000 1.024 188 V CB -1.167 30.693 31.823 0.062 0.000 0.648 188 V HN 0.561 nan 8.190 nan 0.000 0.447 189 A N -0.433 122.420 122.820 0.055 0.000 1.933 189 A HA -0.214 4.107 4.320 0.002 0.000 0.218 189 A C 2.386 179.996 177.584 0.043 0.000 1.175 189 A CA 2.406 54.468 52.037 0.042 0.000 0.628 189 A CB -0.903 18.118 19.000 0.036 0.000 0.814 189 A HN 0.510 nan 8.150 nan 0.000 0.444 190 T N 0.351 114.945 114.554 0.066 0.000 2.746 190 T HA -0.079 4.272 4.350 0.002 0.000 0.267 190 T C 1.795 176.514 174.700 0.031 0.000 1.039 190 T CA 1.358 63.498 62.100 0.068 0.000 1.142 190 T CB -0.356 68.591 68.868 0.133 0.000 0.866 190 T HN 0.361 nan 8.240 nan 0.000 0.444 191 L N 0.801 122.054 121.223 0.051 0.000 2.079 191 L HA -0.146 4.195 4.340 0.002 0.000 0.210 191 L C 2.823 179.675 176.870 -0.031 0.000 1.081 191 L CA 1.231 56.053 54.840 -0.031 0.000 0.752 191 L CB -0.819 41.261 42.059 0.035 0.000 0.896 191 L HN 0.331 nan 8.230 nan 0.000 0.433 192 T N -1.510 113.044 114.554 0.001 0.000 2.777 192 T HA -0.227 4.124 4.350 0.002 0.000 0.266 192 T C 1.742 176.433 174.700 -0.014 0.000 1.040 192 T CA 1.226 63.324 62.100 -0.002 0.000 1.141 192 T CB -0.098 68.776 68.868 0.011 0.000 0.868 192 T HN 0.353 nan 8.240 nan 0.000 0.444 193 E N 0.516 120.707 120.200 -0.014 0.000 2.150 193 E HA -0.032 4.319 4.350 0.002 0.000 0.193 193 E C 2.058 178.633 176.600 -0.042 0.000 0.985 193 E CA 0.531 56.917 56.400 -0.023 0.000 0.814 193 E CB -0.131 29.558 29.700 -0.019 0.000 0.752 193 E HN 0.433 nan 8.360 nan 0.000 0.466 194 L N 0.098 121.286 121.223 -0.058 0.000 2.093 194 L HA -0.127 4.214 4.340 0.002 0.000 0.208 194 L C 2.554 179.390 176.870 -0.058 0.000 1.085 194 L CA 0.934 55.728 54.840 -0.077 0.000 0.755 194 L CB -0.339 41.648 42.059 -0.121 0.000 0.904 194 L HN 0.184 nan 8.230 nan 0.000 0.435 195 A N -1.043 121.748 122.820 -0.049 0.000 1.933 195 A HA -0.232 4.089 4.320 0.002 0.000 0.218 195 A C 2.526 180.096 177.584 -0.024 0.000 1.175 195 A CA 1.967 53.985 52.037 -0.032 0.000 0.628 195 A CB -0.622 18.365 19.000 -0.022 0.000 0.814 195 A HN 0.375 nan 8.150 nan 0.000 0.444 196 S N -0.409 115.276 115.700 -0.025 0.000 2.368 196 S HA -0.116 4.355 4.470 0.002 0.000 0.225 196 S C 1.893 176.479 174.600 -0.025 0.000 1.030 196 S CA 1.427 59.615 58.200 -0.021 0.000 0.999 196 S CB -0.497 62.692 63.200 -0.020 0.000 0.844 196 S HN 0.501 nan 8.310 nan 0.000 0.459 197 I N 1.253 121.803 120.570 -0.034 0.000 2.252 197 I HA -0.167 4.004 4.170 0.002 0.000 0.245 197 I C 2.405 178.505 176.117 -0.027 0.000 1.102 197 I CA 0.972 62.249 61.300 -0.037 0.000 1.385 197 I CB -0.280 37.685 38.000 -0.058 0.000 1.064 197 I HN 0.348 nan 8.210 nan 0.000 0.414 198 M N -0.102 119.483 119.600 -0.025 0.000 2.132 198 M HA -0.127 4.354 4.480 0.002 0.000 0.263 198 M C 2.407 178.699 176.300 -0.012 0.000 1.065 198 M CA 1.789 57.080 55.300 -0.015 0.000 1.122 198 M CB -1.762 30.830 32.600 -0.014 0.000 1.365 198 M HN 0.185 nan 8.290 nan 0.000 0.411 199 T N 0.730 115.276 114.554 -0.013 0.000 2.788 199 T HA -0.129 4.222 4.350 0.002 0.000 0.268 199 T C 1.350 176.043 174.700 -0.011 0.000 1.044 199 T CA 1.520 63.614 62.100 -0.010 0.000 1.139 199 T CB -0.267 68.596 68.868 -0.009 0.000 0.867 199 T HN 0.274 nan 8.240 nan 0.000 0.454 200 D N 0.903 121.295 120.400 -0.014 0.000 2.144 200 D HA -0.050 4.590 4.640 0.002 0.000 0.199 200 D C 2.350 178.643 176.300 -0.013 0.000 0.984 200 D CA 1.123 55.115 54.000 -0.014 0.000 0.834 200 D CB -0.617 40.174 40.800 -0.016 0.000 0.955 200 D HN 0.316 nan 8.370 nan 0.000 0.465 201 T N 0.251 114.798 114.554 -0.013 0.000 2.708 201 T HA -0.094 4.257 4.350 0.002 0.000 0.266 201 T C 2.237 176.932 174.700 -0.009 0.000 1.037 201 T CA 0.816 62.910 62.100 -0.010 0.000 1.146 201 T CB -0.386 68.477 68.868 -0.008 0.000 0.865 201 T HN -0.026 nan 8.240 nan 0.000 0.435 202 V N 1.820 121.729 119.914 -0.008 0.000 2.332 202 V HA -0.190 3.931 4.120 0.002 0.000 0.248 202 V C 2.906 178.993 176.094 -0.011 0.000 1.055 202 V CA 1.715 64.010 62.300 -0.008 0.000 1.038 202 V CB -1.258 30.561 31.823 -0.007 0.000 0.651 202 V HN 0.539 nan 8.190 nan 0.000 0.450 203 A N 0.007 122.821 122.820 -0.011 0.000 1.902 203 A HA -0.134 4.187 4.320 0.002 0.000 0.217 203 A C 2.430 180.007 177.584 -0.012 0.000 1.181 203 A CA 2.175 54.205 52.037 -0.012 0.000 0.623 203 A CB -0.794 18.199 19.000 -0.011 0.000 0.818 203 A HN 0.581 nan 8.150 nan 0.000 0.443 204 A N -0.462 122.351 122.820 -0.011 0.000 1.902 204 A HA -0.119 4.202 4.320 0.002 0.000 0.217 204 A C 2.018 179.596 177.584 -0.011 0.000 1.181 204 A CA 1.762 53.792 52.037 -0.011 0.000 0.623 204 A CB -0.287 18.707 19.000 -0.011 0.000 0.818 204 A HN 0.340 nan 8.150 nan 0.000 0.443 205 K N -0.170 120.224 120.400 -0.011 0.000 2.217 205 K HA 0.022 4.343 4.320 0.002 0.000 0.202 205 K C 1.943 178.535 176.600 -0.013 0.000 1.051 205 K CA 0.803 57.084 56.287 -0.011 0.000 0.952 205 K CB -0.302 32.193 32.500 -0.009 0.000 0.736 205 K HN 0.487 nan 8.250 nan 0.000 0.453 206 R N 0.290 120.781 120.500 -0.016 0.000 2.115 206 R HA 0.050 4.391 4.340 0.002 0.000 0.226 206 R C 2.134 178.422 176.300 -0.020 0.000 1.100 206 R CA 1.008 57.095 56.100 -0.021 0.000 0.980 206 R CB -0.110 30.175 30.300 -0.024 0.000 0.875 206 R HN 0.130 nan 8.270 nan 0.000 0.445 207 A N 0.611 123.422 122.820 -0.016 0.000 1.970 207 A HA 0.200 4.521 4.320 0.002 0.000 0.216 207 A C 1.004 178.580 177.584 -0.013 0.000 1.170 207 A CA 1.155 53.184 52.037 -0.014 0.000 0.645 207 A CB 0.303 19.295 19.000 -0.013 0.000 0.816 207 A HN 0.252 nan 8.150 nan 0.000 0.447 208 A N 0.159 122.972 122.820 -0.012 0.000 2.855 208 A HA 0.602 4.923 4.320 0.002 0.000 0.313 208 A C -3.029 174.549 177.584 -0.010 0.000 1.173 208 A CA -1.218 50.812 52.037 -0.011 0.000 0.753 208 A CB 0.224 19.218 19.000 -0.009 0.000 1.200 208 A HN 0.105 nan 8.150 nan 0.000 0.442 209 P HA 0.334 nan 4.420 nan 0.000 0.264 209 P C 0.706 178.001 177.300 -0.009 0.000 1.183 209 P CA 0.736 63.830 63.100 -0.010 0.000 0.763 209 P CB 1.247 32.941 31.700 -0.011 0.000 0.807 210 G N 1.102 109.897 108.800 -0.008 0.000 3.176 210 G HA2 0.290 4.250 3.960 0.002 0.000 0.272 210 G HA3 0.290 4.250 3.960 0.002 0.000 0.272 210 G C -0.787 174.107 174.900 -0.010 0.000 1.349 210 G CA -0.506 44.589 45.100 -0.008 0.000 0.953 210 G HN 0.325 nan 8.290 nan 0.000 0.559 211 D N 1.072 121.467 120.400 -0.009 0.000 2.722 211 D HA 0.128 4.769 4.640 0.002 0.000 0.239 211 D C -0.106 176.187 176.300 -0.012 0.000 1.249 211 D CA 0.044 54.035 54.000 -0.015 0.000 0.830 211 D CB 0.361 41.153 40.800 -0.014 0.000 1.025 211 D HN 0.513 nan 8.370 nan 0.000 0.486 212 D N -0.538 119.858 120.400 -0.008 0.000 2.494 212 D HA 0.049 4.690 4.640 0.002 0.000 0.259 212 D C 1.251 177.547 176.300 -0.006 0.000 1.109 212 D CA -0.783 53.215 54.000 -0.003 0.000 1.040 212 D CB 2.006 42.807 40.800 0.001 0.000 1.175 212 D HN -0.130 nan 8.370 nan 0.000 0.584 213 L N 0.350 121.572 121.223 -0.001 0.000 2.093 213 L HA -0.100 4.241 4.340 0.002 0.000 0.208 213 L C 2.168 179.037 176.870 -0.002 0.000 1.085 213 L CA 1.955 56.794 54.840 -0.003 0.000 0.755 213 L CB -0.878 41.182 42.059 0.002 0.000 0.904 213 L HN 0.531 nan 8.230 nan 0.000 0.435 214 T N -1.097 113.458 114.554 0.001 0.000 2.777 214 T HA -0.131 4.220 4.350 0.002 0.000 0.266 214 T C 1.971 176.670 174.700 -0.001 0.000 1.040 214 T CA 1.603 63.704 62.100 0.001 0.000 1.141 214 T CB -0.250 68.618 68.868 0.000 0.000 0.868 214 T HN 0.385 nan 8.240 nan 0.000 0.444 215 S N 1.313 117.011 115.700 -0.003 0.000 2.382 215 S HA -0.017 4.454 4.470 0.002 0.000 0.228 215 S C 2.537 177.137 174.600 -0.001 0.000 1.027 215 S CA 0.917 59.114 58.200 -0.004 0.000 0.991 215 S CB -0.464 62.732 63.200 -0.007 0.000 0.823 215 S HN 0.585 nan 8.310 nan 0.000 0.469 216 A N 1.199 124.017 122.820 -0.004 0.000 1.930 216 A HA 0.059 4.380 4.320 0.002 0.000 0.217 216 A C 2.068 179.654 177.584 0.004 0.000 1.175 216 A CA 0.963 52.997 52.037 -0.005 0.000 0.627 216 A CB -0.581 18.410 19.000 -0.015 0.000 0.815 216 A HN 0.452 nan 8.150 nan 0.000 0.443 217 L N -0.713 120.512 121.223 0.004 0.000 2.093 217 L HA -0.116 4.225 4.340 0.002 0.000 0.208 217 L C 2.390 179.276 176.870 0.028 0.000 1.085 217 L CA 0.930 55.775 54.840 0.009 0.000 0.755 217 L CB -0.396 41.666 42.059 0.005 0.000 0.904 217 L HN 0.371 nan 8.230 nan 0.000 0.435 218 I N -0.543 120.041 120.570 0.023 0.000 2.252 218 I HA -0.290 3.881 4.170 0.002 0.000 0.245 218 I C 2.337 178.493 176.117 0.065 0.000 1.102 218 I CA 1.340 62.655 61.300 0.026 0.000 1.385 218 I CB -0.172 37.828 38.000 0.000 0.000 1.064 218 I HN 0.333 nan 8.210 nan 0.000 0.414 219 Q N 0.870 120.706 119.800 0.060 0.000 2.435 219 Q HA 0.153 4.494 4.340 0.002 0.000 0.207 219 Q C 0.935 177.010 176.000 0.125 0.000 0.956 219 Q CA 0.116 55.975 55.803 0.095 0.000 0.917 219 Q CB -0.066 28.698 28.738 0.043 0.000 0.997 219 Q HN 0.474 nan 8.270 nan 0.000 0.497 220 A N 1.834 124.701 122.820 0.079 0.000 2.540 220 A HA 0.270 4.591 4.320 0.002 0.000 0.239 220 A C 0.228 177.774 177.584 -0.062 0.000 1.061 220 A CA 0.354 52.399 52.037 0.012 0.000 0.758 220 A CB 0.174 19.171 19.000 -0.005 0.000 0.991 220 A HN 0.272 nan 8.150 nan 0.000 0.502 221 S N 0.762 116.358 115.700 -0.174 0.000 2.535 221 S HA 0.548 5.019 4.470 0.002 0.000 0.272 221 S C -1.199 173.266 174.600 -0.225 0.000 1.149 221 S CA -0.759 57.209 58.200 -0.386 0.000 0.888 221 S CB 1.741 64.545 63.200 -0.661 0.000 1.110 221 S HN 0.728 nan 8.310 nan 0.000 0.463 222 E N 1.565 121.639 120.200 -0.210 0.000 2.437 222 E HA 0.430 4.781 4.350 0.002 0.000 0.238 222 E C -0.645 175.887 176.600 -0.114 0.000 0.969 222 E CA -0.251 56.073 56.400 -0.127 0.000 0.759 222 E CB -0.405 29.237 29.700 -0.098 0.000 1.283 222 E HN 0.769 nan 8.360 nan 0.000 0.416 223 N N 3.337 121.977 118.700 -0.099 0.000 2.756 223 N HA -0.269 4.472 4.740 0.002 0.000 0.248 223 N C 0.596 176.062 175.510 -0.073 0.000 1.062 223 N CA 0.343 53.351 53.050 -0.069 0.000 0.696 223 N CB -0.813 37.645 38.487 -0.048 0.000 0.946 223 N HN 0.798 nan 8.380 nan 0.000 0.548 224 G N -0.422 108.309 108.800 -0.116 0.000 2.241 224 G HA2 -0.315 3.646 3.960 0.002 0.000 0.244 224 G HA3 -0.315 3.646 3.960 0.002 0.000 0.244 224 G C -0.176 174.654 174.900 -0.116 0.000 0.998 224 G CA 0.382 45.434 45.100 -0.080 0.000 0.621 224 G HN 0.568 nan 8.290 nan 0.000 0.519 225 D N 1.304 121.608 120.400 -0.160 0.000 2.312 225 D HA 0.494 5.135 4.640 0.002 0.000 0.252 225 D C 0.380 176.537 176.300 -0.238 0.000 1.150 225 D CA -0.024 53.911 54.000 -0.108 0.000 0.870 225 D CB 0.176 40.933 40.800 -0.071 0.000 1.153 225 D HN 0.436 nan 8.370 nan 0.000 0.457 226 H N 2.485 121.547 119.070 -0.012 0.000 2.771 226 H HA 0.367 4.924 4.556 0.002 0.000 0.367 226 H C -0.075 175.245 175.328 -0.013 0.000 1.172 226 H CA -0.841 55.199 56.048 -0.014 0.000 1.186 226 H CB 1.312 31.067 29.762 -0.011 0.000 1.790 226 H HN 0.249 nan 8.280 nan 0.000 0.556 227 L N 1.524 122.822 121.223 0.125 0.000 2.417 227 L HA 0.125 4.466 4.340 0.002 0.000 0.268 227 L C 1.158 178.064 176.870 0.060 0.000 1.158 227 L CA -0.344 54.532 54.840 0.060 0.000 0.819 227 L CB 0.950 43.031 42.059 0.037 0.000 1.112 227 L HN 0.706 nan 8.230 nan 0.000 0.458 228 T N -2.690 111.886 114.554 0.037 0.000 2.847 228 T HA 0.121 4.472 4.350 0.002 0.000 0.279 228 T C 0.700 175.410 174.700 0.016 0.000 0.984 228 T CA -0.820 61.295 62.100 0.025 0.000 0.988 228 T CB 1.170 70.051 68.868 0.022 0.000 1.040 228 T HN 0.486 nan 8.240 nan 0.000 0.528 229 D N 0.810 121.215 120.400 0.008 0.000 2.123 229 D HA -0.068 4.573 4.640 0.002 0.000 0.196 229 D C 2.350 178.654 176.300 0.007 0.000 0.992 229 D CA 1.759 55.761 54.000 0.003 0.000 0.833 229 D CB -0.789 40.011 40.800 -0.001 0.000 0.954 229 D HN 0.745 nan 8.370 nan 0.000 0.455 230 A N 0.933 123.759 122.820 0.010 0.000 1.908 230 A HA -0.226 4.095 4.320 0.002 0.000 0.218 230 A C 2.064 179.657 177.584 0.015 0.000 1.181 230 A CA 1.655 53.700 52.037 0.013 0.000 0.627 230 A CB -0.548 18.461 19.000 0.016 0.000 0.818 230 A HN 0.250 nan 8.150 nan 0.000 0.445 231 E N -0.413 119.797 120.200 0.017 0.000 2.106 231 E HA -0.096 4.255 4.350 0.002 0.000 0.192 231 E C 1.867 178.475 176.600 0.013 0.000 0.984 231 E CA 1.048 57.458 56.400 0.017 0.000 0.806 231 E CB -0.251 29.459 29.700 0.018 0.000 0.750 231 E HN 0.712 nan 8.360 nan 0.000 0.458 232 I N 0.611 121.188 120.570 0.011 0.000 2.252 232 I HA -0.225 3.946 4.170 0.002 0.000 0.245 232 I C 2.321 178.442 176.117 0.006 0.000 1.102 232 I CA 0.715 62.020 61.300 0.008 0.000 1.385 232 I CB -0.190 37.814 38.000 0.007 0.000 1.064 232 I HN -0.013 nan 8.210 nan 0.000 0.414 233 V N 1.059 120.976 119.914 0.004 0.000 2.295 233 V HA -0.268 3.853 4.120 0.002 0.000 0.246 233 V C 2.681 178.775 176.094 0.001 0.000 1.049 233 V CA 2.303 64.604 62.300 0.001 0.000 1.024 233 V CB -0.773 31.049 31.823 -0.000 0.000 0.648 233 V HN 0.597 nan 8.190 nan 0.000 0.447 234 S N -0.855 114.849 115.700 0.007 0.000 2.402 234 S HA -0.206 4.265 4.470 0.002 0.000 0.229 234 S C 1.916 176.523 174.600 0.012 0.000 1.021 234 S CA 1.828 60.035 58.200 0.011 0.000 0.974 234 S CB -0.703 62.510 63.200 0.022 0.000 0.800 234 S HN 0.562 nan 8.310 nan 0.000 0.484 235 T N 3.042 117.604 114.554 0.013 0.000 2.737 235 T HA 0.135 4.486 4.350 0.002 0.000 0.265 235 T C 1.734 176.440 174.700 0.010 0.000 1.038 235 T CA 1.466 63.574 62.100 0.013 0.000 1.144 235 T CB -0.529 68.344 68.868 0.008 0.000 0.866 235 T HN 0.310 nan 8.240 nan 0.000 0.434 236 L N 0.800 122.026 121.223 0.006 0.000 2.046 236 L HA -0.145 4.196 4.340 0.002 0.000 0.208 236 L C 2.914 179.785 176.870 0.002 0.000 1.077 236 L CA 1.432 56.276 54.840 0.008 0.000 0.747 236 L CB -0.565 41.498 42.059 0.006 0.000 0.896 236 L HN 0.326 nan 8.230 nan 0.000 0.432 237 Q N 0.147 119.939 119.800 -0.013 0.000 2.050 237 Q HA -0.258 4.083 4.340 0.002 0.000 0.202 237 Q C 2.297 178.265 176.000 -0.054 0.000 0.980 237 Q CA 1.687 57.463 55.803 -0.046 0.000 0.840 237 Q CB -0.090 28.616 28.738 -0.054 0.000 0.898 237 Q HN 0.372 nan 8.270 nan 0.000 0.424 238 L N 0.294 121.507 121.223 -0.018 0.000 2.046 238 L HA -0.151 4.190 4.340 0.002 0.000 0.208 238 L C 2.135 179.015 176.870 0.018 0.000 1.077 238 L CA 1.701 56.544 54.840 0.005 0.000 0.747 238 L CB -0.342 41.737 42.059 0.033 0.000 0.896 238 L HN 0.316 nan 8.230 nan 0.000 0.432 239 M N -1.083 118.528 119.600 0.018 0.000 2.086 239 M HA -0.185 4.296 4.480 0.002 0.000 0.261 239 M C 2.168 178.483 176.300 0.025 0.000 1.067 239 M CA 2.227 57.542 55.300 0.025 0.000 1.116 239 M CB -0.567 32.046 32.600 0.022 0.000 1.348 239 M HN 0.395 nan 8.290 nan 0.000 0.407 240 V N -1.957 117.967 119.914 0.016 0.000 2.427 240 V HA -0.105 4.016 4.120 0.002 0.000 0.248 240 V C 2.368 178.446 176.094 -0.026 0.000 1.051 240 V CA 1.686 63.984 62.300 -0.002 0.000 1.048 240 V CB -1.746 30.133 31.823 0.092 0.000 0.666 240 V HN 0.381 nan 8.190 nan 0.000 0.456 241 A N 0.756 123.559 122.820 -0.028 0.000 1.898 241 A HA 0.157 4.478 4.320 0.002 0.000 0.216 241 A C 2.412 180.160 177.584 0.274 0.000 1.181 241 A CA 2.202 54.289 52.037 0.083 0.000 0.620 241 A CB -0.962 17.991 19.000 -0.079 0.000 0.819 241 A HN 0.952 nan 8.150 nan 0.000 0.442 242 A N -1.283 121.621 122.820 0.139 0.000 2.072 242 A HA 0.337 4.658 4.320 0.002 0.000 0.216 242 A C 2.042 179.667 177.584 0.070 0.000 1.156 242 A CA 1.438 53.545 52.037 0.117 0.000 0.701 242 A CB -0.554 18.495 19.000 0.083 0.000 0.816 242 A HN 0.734 nan 8.150 nan 0.000 0.458 243 G N -2.515 106.313 108.800 0.046 0.000 3.044 243 G HA2 0.199 4.160 3.960 0.002 0.000 0.223 243 G HA3 0.199 4.160 3.960 0.002 0.000 0.223 243 G C 1.092 175.947 174.900 -0.075 0.000 1.123 243 G CA 0.680 45.778 45.100 -0.003 0.000 0.765 243 G HN 0.582 nan 8.290 nan 0.000 0.546 244 H N 1.298 120.223 119.070 -0.243 0.000 2.290 244 H HA 0.071 4.628 4.556 0.002 0.000 0.306 244 H C 2.397 177.394 175.328 -0.551 0.000 1.049 244 H CA 1.654 57.428 56.048 -0.457 0.000 1.288 244 H CB 0.164 29.502 29.762 -0.705 0.000 1.406 244 H HN 0.095 nan 8.280 nan 0.000 0.515 245 E N -0.247 119.427 120.200 -0.876 0.000 2.160 245 E HA -0.161 4.190 4.350 0.002 0.000 0.195 245 E C 2.257 178.577 176.600 -0.466 0.000 0.991 245 E CA 1.706 57.616 56.400 -0.816 0.000 0.810 245 E CB -0.480 28.685 29.700 -0.893 0.000 0.742 245 E HN 0.762 nan 8.360 nan 0.000 0.466 246 T N -0.999 113.363 114.554 -0.320 0.000 2.708 246 T HA -0.128 4.223 4.350 0.002 0.000 0.266 246 T C 2.128 176.716 174.700 -0.187 0.000 1.037 246 T CA 1.847 63.827 62.100 -0.200 0.000 1.146 246 T CB -0.771 68.030 68.868 -0.112 0.000 0.865 246 T HN -0.022 nan 8.240 nan 0.000 0.435 247 T N 2.117 116.554 114.554 -0.196 0.000 2.788 247 T HA 0.110 4.461 4.350 0.002 0.000 0.268 247 T C 1.965 176.539 174.700 -0.210 0.000 1.044 247 T CA 1.232 63.238 62.100 -0.156 0.000 1.139 247 T CB -0.488 68.292 68.868 -0.146 0.000 0.867 247 T HN 0.388 nan 8.240 nan 0.000 0.454 248 I N 1.023 121.388 120.570 -0.342 0.000 2.179 248 I HA -0.166 4.005 4.170 0.002 0.000 0.242 248 I C 2.652 178.650 176.117 -0.199 0.000 1.088 248 I CA 1.019 62.120 61.300 -0.332 0.000 1.357 248 I CB -0.358 37.334 38.000 -0.514 0.000 1.051 248 I HN 0.162 nan 8.210 nan 0.000 0.409 249 S N 0.735 116.313 115.700 -0.202 0.000 2.419 249 S HA -0.139 4.332 4.470 0.002 0.000 0.233 249 S C 1.846 176.393 174.600 -0.089 0.000 1.016 249 S CA 1.013 59.133 58.200 -0.134 0.000 0.974 249 S CB -0.323 62.786 63.200 -0.151 0.000 0.786 249 S HN 0.318 nan 8.310 nan 0.000 0.492 250 L N 1.922 123.091 121.223 -0.090 0.000 2.027 250 L HA 0.035 4.376 4.340 0.002 0.000 0.206 250 L C 1.850 178.722 176.870 0.003 0.000 1.074 250 L CA 1.622 56.434 54.840 -0.046 0.000 0.745 250 L CB -0.585 41.453 42.059 -0.036 0.000 0.898 250 L HN 0.256 nan 8.230 nan 0.000 0.433 251 I N -1.456 119.111 120.570 -0.005 0.000 2.179 251 I HA -0.281 3.890 4.170 0.002 0.000 0.242 251 I C 2.393 178.555 176.117 0.074 0.000 1.088 251 I CA 1.320 62.649 61.300 0.048 0.000 1.357 251 I CB -0.429 37.577 38.000 0.010 0.000 1.051 251 I HN 0.096 nan 8.210 nan 0.000 0.409 252 V N 1.350 121.282 119.914 0.030 0.000 2.255 252 V HA -0.310 3.811 4.120 0.002 0.000 0.247 252 V C 2.161 178.280 176.094 0.041 0.000 1.051 252 V CA 2.154 64.478 62.300 0.040 0.000 1.018 252 V CB -0.849 30.977 31.823 0.004 0.000 0.641 252 V HN 0.459 nan 8.190 nan 0.000 0.445 253 N N 0.343 119.054 118.700 0.018 0.000 2.223 253 N HA -0.111 4.630 4.740 0.002 0.000 0.185 253 N C 1.797 177.323 175.510 0.027 0.000 1.016 253 N CA 1.568 54.629 53.050 0.017 0.000 0.863 253 N CB -0.529 37.960 38.487 0.003 0.000 0.983 253 N HN 0.517 nan 8.380 nan 0.000 0.429 254 A N 0.492 123.352 122.820 0.067 0.000 1.898 254 A HA -0.057 4.263 4.320 0.002 0.000 0.216 254 A C 2.455 180.102 177.584 0.106 0.000 1.181 254 A CA 1.169 53.266 52.037 0.099 0.000 0.620 254 A CB -0.703 18.407 19.000 0.183 0.000 0.819 254 A HN 0.100 nan 8.150 nan 0.000 0.442 255 V N -0.387 119.622 119.914 0.158 0.000 2.343 255 V HA -0.213 3.908 4.120 0.002 0.000 0.247 255 V C 2.564 178.726 176.094 0.113 0.000 1.051 255 V CA 1.915 64.340 62.300 0.208 0.000 1.036 255 V CB -0.661 31.272 31.823 0.183 0.000 0.654 255 V HN 0.370 nan 8.190 nan 0.000 0.451 256 V N 0.629 120.574 119.914 0.051 0.000 2.307 256 V HA -0.223 3.898 4.120 0.002 0.000 0.245 256 V C 2.342 178.413 176.094 -0.038 0.000 1.045 256 V CA 2.078 64.388 62.300 0.018 0.000 1.024 256 V CB -0.825 31.009 31.823 0.018 0.000 0.651 256 V HN 0.564 nan 8.190 nan 0.000 0.449 257 N N 0.281 118.887 118.700 -0.157 0.000 2.120 257 N HA -0.101 4.640 4.740 0.002 0.000 0.188 257 N C 1.783 177.080 175.510 -0.355 0.000 1.024 257 N CA 1.365 54.124 53.050 -0.484 0.000 0.852 257 N CB -0.429 37.349 38.487 -1.181 0.000 1.003 257 N HN 0.389 nan 8.380 nan 0.000 0.424 258 L N 0.391 121.507 121.223 -0.179 0.000 2.093 258 L HA -0.054 4.287 4.340 0.002 0.000 0.208 258 L C 2.105 178.996 176.870 0.035 0.000 1.085 258 L CA 0.792 55.605 54.840 -0.044 0.000 0.755 258 L CB -0.307 41.742 42.059 -0.017 0.000 0.904 258 L HN 0.077 nan 8.230 nan 0.000 0.435 259 S N -0.779 114.957 115.700 0.061 0.000 2.402 259 S HA -0.130 4.341 4.470 0.002 0.000 0.229 259 S C 1.907 176.510 174.600 0.005 0.000 1.021 259 S CA 1.683 59.922 58.200 0.065 0.000 0.974 259 S CB -0.288 62.955 63.200 0.072 0.000 0.800 259 S HN 0.621 nan 8.310 nan 0.000 0.484 260 T N -1.324 113.211 114.554 -0.032 0.000 3.107 260 T HA 0.120 4.471 4.350 0.002 0.000 0.249 260 T C 0.042 174.504 174.700 -0.397 0.000 1.096 260 T CA 0.248 62.248 62.100 -0.166 0.000 1.012 260 T CB -0.225 68.540 68.868 -0.171 0.000 0.977 260 T HN 0.379 nan 8.240 nan 0.000 0.527 261 H N 0.784 119.816 119.070 -0.063 0.000 2.379 261 H HA 0.369 4.926 4.556 0.002 0.000 0.229 261 H C -2.229 173.092 175.328 -0.011 0.000 1.423 261 H CA -1.845 54.190 56.048 -0.023 0.000 1.375 261 H CB 1.122 30.896 29.762 0.020 0.000 1.592 261 H HN 0.105 nan 8.280 nan 0.000 0.507 262 P HA -0.280 nan 4.420 nan 0.000 0.216 262 P C 1.687 179.005 177.300 0.031 0.000 1.157 262 P CA 1.485 64.606 63.100 0.035 0.000 0.880 262 P CB 0.583 32.294 31.700 0.018 0.000 0.791 263 E N -0.674 119.547 120.200 0.035 0.000 2.085 263 E HA -0.288 4.063 4.350 0.002 0.000 0.194 263 E C 2.142 178.746 176.600 0.006 0.000 0.994 263 E CA 1.222 57.633 56.400 0.018 0.000 0.801 263 E CB -0.233 29.479 29.700 0.020 0.000 0.743 263 E HN 0.101 nan 8.360 nan 0.000 0.453 264 Q N 0.459 120.283 119.800 0.040 0.000 2.050 264 Q HA -0.146 4.195 4.340 0.002 0.000 0.202 264 Q C 2.165 178.134 176.000 -0.053 0.000 0.980 264 Q CA 1.727 57.536 55.803 0.010 0.000 0.840 264 Q CB -0.176 28.630 28.738 0.114 0.000 0.898 264 Q HN 0.136 nan 8.270 nan 0.000 0.424 265 R N -0.358 120.120 120.500 -0.035 0.000 2.091 265 R HA -0.179 4.162 4.340 0.002 0.000 0.238 265 R C 1.967 178.183 176.300 -0.139 0.000 1.136 265 R CA 1.474 57.500 56.100 -0.124 0.000 0.959 265 R CB -0.395 29.868 30.300 -0.062 0.000 0.856 265 R HN 0.311 nan 8.270 nan 0.000 0.437 266 A N 1.318 124.098 122.820 -0.067 0.000 1.940 266 A HA -0.142 4.179 4.320 0.002 0.000 0.219 266 A C 2.293 179.824 177.584 -0.089 0.000 1.176 266 A CA 1.292 53.297 52.037 -0.053 0.000 0.631 266 A CB -0.508 18.481 19.000 -0.019 0.000 0.814 266 A HN 0.364 nan 8.150 nan 0.000 0.446 267 L N -0.659 120.499 121.223 -0.108 0.000 2.046 267 L HA -0.160 4.181 4.340 0.002 0.000 0.208 267 L C 2.517 179.268 176.870 -0.199 0.000 1.077 267 L CA 1.129 55.892 54.840 -0.129 0.000 0.747 267 L CB -0.575 41.409 42.059 -0.125 0.000 0.896 267 L HN 0.267 nan 8.230 nan 0.000 0.432 268 V N 0.012 119.743 119.914 -0.306 0.000 2.307 268 V HA -0.252 3.869 4.120 0.002 0.000 0.245 268 V C 2.365 178.206 176.094 -0.422 0.000 1.045 268 V CA 1.433 63.417 62.300 -0.526 0.000 1.024 268 V CB -0.361 30.914 31.823 -0.913 0.000 0.651 268 V HN 0.342 nan 8.190 nan 0.000 0.449 269 L N 1.020 122.080 121.223 -0.271 0.000 2.131 269 L HA -0.124 4.217 4.340 0.002 0.000 0.210 269 L C 2.461 179.311 176.870 -0.033 0.000 1.092 269 L CA 1.802 56.593 54.840 -0.080 0.000 0.759 269 L CB -0.629 41.416 42.059 -0.024 0.000 0.903 269 L HN 0.563 nan 8.230 nan 0.000 0.435 270 S N -1.116 114.546 115.700 -0.063 0.000 2.558 270 S HA 0.154 4.625 4.470 0.002 0.000 0.217 270 S C 1.558 176.135 174.600 -0.038 0.000 0.975 270 S CA 0.384 58.563 58.200 -0.034 0.000 0.912 270 S CB 0.518 63.697 63.200 -0.035 0.000 0.776 270 S HN 0.537 nan 8.310 nan 0.000 0.526 271 G N 1.283 110.040 108.800 -0.071 0.000 2.176 271 G HA2 -0.253 3.708 3.960 0.002 0.000 0.253 271 G HA3 -0.253 3.708 3.960 0.002 0.000 0.253 271 G C 0.708 175.564 174.900 -0.073 0.000 0.979 271 G CA 0.359 45.423 45.100 -0.060 0.000 0.641 271 G HN 0.460 nan 8.290 nan 0.000 0.530 272 E N 0.095 120.243 120.200 -0.086 0.000 2.268 272 E HA 0.295 4.646 4.350 0.002 0.000 0.195 272 E C 1.384 177.922 176.600 -0.102 0.000 0.995 272 E CA 1.212 57.564 56.400 -0.080 0.000 0.836 272 E CB 0.137 29.793 29.700 -0.074 0.000 0.763 272 E HN 1.116 nan 8.360 nan 0.000 0.491 273 A N 0.737 123.468 122.820 -0.149 0.000 2.435 273 A HA 0.469 4.790 4.320 0.002 0.000 0.304 273 A C -0.564 176.890 177.584 -0.216 0.000 1.064 273 A CA -0.617 51.314 52.037 -0.176 0.000 0.727 273 A CB 1.517 20.389 19.000 -0.213 0.000 1.284 273 A HN -0.106 nan 8.150 nan 0.000 0.415 274 E N 0.480 120.586 120.200 -0.158 0.000 2.313 274 E HA 0.164 4.515 4.350 0.002 0.000 0.272 274 E C -0.211 176.311 176.600 -0.129 0.000 1.038 274 E CA -0.323 56.013 56.400 -0.106 0.000 0.863 274 E CB 0.930 30.623 29.700 -0.011 0.000 1.060 274 E HN 0.758 nan 8.360 nan 0.000 0.402 275 W N 1.191 122.490 121.300 -0.001 0.000 2.363 275 W HA -0.206 4.455 4.660 0.002 0.000 0.296 275 W C 2.595 179.130 176.519 0.028 0.000 1.212 275 W CA 1.426 58.778 57.345 0.012 0.000 1.260 275 W CB -0.061 29.413 29.460 0.024 0.000 1.131 275 W HN 0.563 nan 8.180 nan 0.000 0.530 276 S N -0.082 115.758 115.700 0.234 0.000 2.399 276 S HA -0.176 4.295 4.470 0.002 0.000 0.231 276 S C 1.873 176.540 174.600 0.111 0.000 1.022 276 S CA 1.185 59.483 58.200 0.164 0.000 0.983 276 S CB -0.898 62.374 63.200 0.120 0.000 0.803 276 S HN 0.173 nan 8.310 nan 0.000 0.480 277 A N 1.240 124.089 122.820 0.047 0.000 2.014 277 A HA 0.172 4.493 4.320 0.002 0.000 0.218 277 A C 2.330 179.902 177.584 -0.019 0.000 1.163 277 A CA 1.227 53.254 52.037 -0.017 0.000 0.652 277 A CB -0.832 18.117 19.000 -0.086 0.000 0.808 277 A HN 0.437 nan 8.150 nan 0.000 0.449 278 V N -0.478 119.455 119.914 0.032 0.000 2.307 278 V HA -0.205 3.916 4.120 0.002 0.000 0.245 278 V C 2.566 178.770 176.094 0.184 0.000 1.045 278 V CA 1.929 64.299 62.300 0.116 0.000 1.024 278 V CB -0.693 31.223 31.823 0.156 0.000 0.651 278 V HN 0.368 nan 8.190 nan 0.000 0.449 279 V N -0.147 119.879 119.914 0.187 0.000 2.261 279 V HA -0.200 3.921 4.120 0.002 0.000 0.246 279 V C 2.628 178.801 176.094 0.132 0.000 1.047 279 V CA 1.884 64.288 62.300 0.172 0.000 1.015 279 V CB -0.651 31.284 31.823 0.187 0.000 0.642 279 V HN 0.528 nan 8.190 nan 0.000 0.446 280 E N 0.012 120.294 120.200 0.137 0.000 2.077 280 E HA -0.246 4.105 4.350 0.002 0.000 0.193 280 E C 2.189 178.823 176.600 0.058 0.000 0.989 280 E CA 1.503 58.001 56.400 0.164 0.000 0.800 280 E CB -0.281 29.527 29.700 0.180 0.000 0.746 280 E HN 0.685 nan 8.360 nan 0.000 0.452 281 E N 0.418 120.614 120.200 -0.006 0.000 2.150 281 E HA -0.085 4.266 4.350 0.002 0.000 0.193 281 E C 1.872 178.528 176.600 0.094 0.000 0.985 281 E CA 1.400 57.738 56.400 -0.104 0.000 0.814 281 E CB -0.195 29.234 29.700 -0.452 0.000 0.752 281 E HN 0.080 nan 8.360 nan 0.000 0.466 282 T N 0.509 115.192 114.554 0.216 0.000 2.821 282 T HA -0.043 4.308 4.350 0.002 0.000 0.267 282 T C 1.712 176.441 174.700 0.050 0.000 1.046 282 T CA 1.023 63.281 62.100 0.264 0.000 1.139 282 T CB -0.159 68.829 68.868 0.200 0.000 0.871 282 T HN 0.128 nan 8.240 nan 0.000 0.454 283 L N 0.401 121.555 121.223 -0.114 0.000 2.093 283 L HA -0.009 4.332 4.340 0.002 0.000 0.208 283 L C 2.833 179.439 176.870 -0.441 0.000 1.085 283 L CA 1.179 55.789 54.840 -0.382 0.000 0.755 283 L CB -0.350 41.313 42.059 -0.659 0.000 0.904 283 L HN 0.140 nan 8.230 nan 0.000 0.435 284 R N -0.310 119.992 120.500 -0.330 0.000 2.055 284 R HA -0.170 4.171 4.340 0.002 0.000 0.226 284 R C 2.410 178.687 176.300 -0.039 0.000 1.135 284 R CA 1.458 57.446 56.100 -0.185 0.000 0.959 284 R CB -0.362 29.853 30.300 -0.141 0.000 0.854 284 R HN 0.201 nan 8.270 nan 0.000 0.431 285 F N 1.260 121.149 119.950 -0.102 0.000 2.234 285 F HA -0.025 4.503 4.527 0.002 0.000 0.299 285 F C 0.560 176.355 175.800 -0.008 0.000 1.087 285 F CA 1.405 59.395 58.000 -0.017 0.000 1.340 285 F CB 0.260 39.324 39.000 0.106 0.000 1.031 285 F HN 0.054 nan 8.300 nan 0.000 0.500 286 S N -0.435 115.244 115.700 -0.035 0.000 2.512 286 S HA 0.164 4.635 4.470 0.002 0.000 0.161 286 S C -0.053 174.476 174.600 -0.119 0.000 1.383 286 S CA -0.433 57.678 58.200 -0.147 0.000 1.248 286 S CB -0.550 62.618 63.200 -0.052 0.000 1.488 286 S HN 0.182 nan 8.310 nan 0.000 0.382 287 T N 2.510 116.968 114.554 -0.161 0.000 2.940 287 T HA 0.245 4.596 4.350 0.002 0.000 0.309 287 T C -1.593 173.007 174.700 -0.166 0.000 1.056 287 T CA -0.664 61.318 62.100 -0.197 0.000 1.137 287 T CB 0.346 69.079 68.868 -0.224 0.000 0.976 287 T HN 0.169 nan 8.240 nan 0.000 0.547 288 P HA 0.083 nan 4.420 nan 0.000 0.223 288 P C 0.087 177.306 177.300 -0.135 0.000 1.151 288 P CA 0.737 63.748 63.100 -0.148 0.000 0.787 288 P CB 0.261 31.868 31.700 -0.156 0.000 0.788 289 T N -0.552 113.914 114.554 -0.147 0.000 2.929 289 T HA 0.204 4.555 4.350 0.002 0.000 0.331 289 T C 1.094 175.747 174.700 -0.079 0.000 1.120 289 T CA -0.058 61.979 62.100 -0.105 0.000 0.973 289 T CB 0.490 69.278 68.868 -0.134 0.000 1.036 289 T HN -0.113 nan 8.240 nan 0.000 0.502 290 S N 2.295 117.930 115.700 -0.109 0.000 2.368 290 S HA -0.002 4.469 4.470 0.002 0.000 0.224 290 S C 0.696 175.017 174.600 -0.464 0.000 1.029 290 S CA 0.850 58.889 58.200 -0.268 0.000 0.988 290 S CB 0.002 63.045 63.200 -0.262 0.000 0.838 290 S HN 0.684 nan 8.310 nan 0.000 0.462 291 H N -1.093 118.012 119.070 0.059 0.000 2.930 291 H HA 0.524 5.081 4.556 0.002 0.000 0.371 291 H C -1.378 173.996 175.328 0.076 0.000 1.169 291 H CA -0.533 55.547 56.048 0.055 0.000 1.157 291 H CB 1.652 31.413 29.762 -0.001 0.000 1.789 291 H HN -0.081 nan 8.280 nan 0.000 0.547 292 V N 3.717 123.757 119.914 0.210 0.000 2.444 292 V HA 0.192 4.312 4.120 0.002 0.000 0.294 292 V C -0.413 175.693 176.094 0.020 0.000 1.022 292 V CA -0.625 61.758 62.300 0.138 0.000 0.850 292 V CB 1.813 33.787 31.823 0.252 0.000 0.992 292 V HN 0.377 nan 8.190 nan 0.000 0.426 293 L N 5.813 127.019 121.223 -0.028 0.000 2.325 293 L HA 0.689 5.030 4.340 0.002 0.000 0.279 293 L C -0.349 176.430 176.870 -0.152 0.000 1.054 293 L CA 0.160 54.932 54.840 -0.112 0.000 0.804 293 L CB 1.464 43.473 42.059 -0.083 0.000 1.200 293 L HN 0.625 nan 8.230 nan 0.000 0.436 294 I N 1.829 122.230 120.570 -0.281 0.000 2.882 294 I HA 0.462 4.633 4.170 0.002 0.000 0.298 294 I C -1.361 174.301 176.117 -0.758 0.000 1.462 294 I CA -0.537 60.471 61.300 -0.485 0.000 1.000 294 I CB 1.683 39.367 38.000 -0.526 0.000 1.340 294 I HN 0.559 nan 8.210 nan 0.000 0.462 295 R N 4.720 124.687 120.500 -0.889 0.000 2.854 295 R HA 0.722 5.063 4.340 0.002 0.000 0.271 295 R C -1.892 173.765 176.300 -1.072 0.000 0.994 295 R CA -0.584 55.010 56.100 -0.843 0.000 0.945 295 R CB 2.230 32.287 30.300 -0.404 0.000 1.194 295 R HN 0.373 nan 8.270 nan 0.000 0.476 296 F N 0.052 119.916 119.950 -0.142 0.000 2.565 296 F HA 0.532 5.060 4.527 0.001 0.000 0.313 296 F C 0.061 175.841 175.800 -0.033 0.000 1.091 296 F CA -1.200 56.740 58.000 -0.101 0.000 0.915 296 F CB 2.014 40.966 39.000 -0.080 0.000 1.208 296 F HN 0.483 nan 8.300 nan 0.000 0.453 297 A N 1.327 124.252 122.820 0.175 0.000 2.350 297 A HA 0.579 4.900 4.320 0.002 0.000 0.293 297 A C 0.930 178.584 177.584 0.116 0.000 1.231 297 A CA 0.158 52.258 52.037 0.105 0.000 0.883 297 A CB 0.205 19.251 19.000 0.076 0.000 1.133 297 A HN 1.035 nan 8.150 nan 0.000 0.533 298 A N 2.408 125.281 122.820 0.088 0.000 2.014 298 A HA 0.180 4.501 4.320 0.002 0.000 0.218 298 A C 0.891 178.512 177.584 0.061 0.000 1.163 298 A CA 1.119 53.203 52.037 0.078 0.000 0.652 298 A CB -0.018 19.020 19.000 0.063 0.000 0.808 298 A HN 0.722 nan 8.150 nan 0.000 0.449 299 E N -0.625 119.604 120.200 0.048 0.000 2.449 299 E HA 0.285 4.636 4.350 0.002 0.000 0.278 299 E C -1.755 174.859 176.600 0.023 0.000 0.992 299 E CA -0.902 55.519 56.400 0.034 0.000 0.807 299 E CB 0.396 30.110 29.700 0.023 0.000 1.350 299 E HN 0.095 nan 8.360 nan 0.000 0.462 300 D N 0.417 120.824 120.400 0.013 0.000 2.488 300 D HA 0.187 4.828 4.640 0.002 0.000 0.238 300 D C -0.555 175.730 176.300 -0.026 0.000 1.138 300 D CA 0.437 54.433 54.000 -0.007 0.000 0.873 300 D CB 0.619 41.412 40.800 -0.011 0.000 1.183 300 D HN -0.052 nan 8.370 nan 0.000 0.458 301 V N 5.018 124.899 119.914 -0.055 0.000 2.444 301 V HA 0.335 4.456 4.120 0.002 0.000 0.294 301 V C -2.248 173.787 176.094 -0.100 0.000 1.022 301 V CA -1.712 60.548 62.300 -0.067 0.000 0.850 301 V CB 2.014 33.796 31.823 -0.069 0.000 0.992 301 V HN 0.426 nan 8.190 nan 0.000 0.426 302 P HA 0.369 nan 4.420 nan 0.000 0.279 302 P C -0.977 176.264 177.300 -0.099 0.000 1.239 302 P CA -0.233 62.813 63.100 -0.088 0.000 0.789 302 P CB 1.066 32.731 31.700 -0.058 0.000 0.933 303 V N 3.300 123.142 119.914 -0.120 0.000 2.439 303 V HA 0.543 4.664 4.120 0.002 0.000 0.277 303 V C 0.780 176.815 176.094 -0.099 0.000 1.008 303 V CA 0.299 62.528 62.300 -0.118 0.000 0.846 303 V CB 0.439 32.159 31.823 -0.171 0.000 1.031 303 V HN 0.981 nan 8.190 nan 0.000 0.441 304 G N 5.421 114.182 108.800 -0.065 0.000 2.556 304 G HA2 -0.291 3.670 3.960 0.002 0.000 0.283 304 G HA3 -0.291 3.670 3.960 0.002 0.000 0.283 304 G C 0.284 175.154 174.900 -0.051 0.000 1.177 304 G CA 0.743 45.815 45.100 -0.047 0.000 0.978 304 G HN 1.032 nan 8.290 nan 0.000 0.554 305 D N 0.418 120.789 120.400 -0.049 0.000 2.368 305 D HA 0.323 4.964 4.640 0.002 0.000 0.218 305 D C 1.159 177.421 176.300 -0.063 0.000 1.112 305 D CA 0.035 54.008 54.000 -0.045 0.000 0.834 305 D CB 0.253 41.035 40.800 -0.029 0.000 0.953 305 D HN 0.420 nan 8.370 nan 0.000 0.505 306 R N -0.069 120.375 120.500 -0.093 0.000 2.700 306 R HA 0.756 5.097 4.340 0.002 0.000 0.253 306 R C -0.668 175.530 176.300 -0.171 0.000 1.091 306 R CA -0.964 55.055 56.100 -0.136 0.000 1.104 306 R CB 1.636 31.831 30.300 -0.176 0.000 1.202 306 R HN -0.032 nan 8.270 nan 0.000 0.532 307 V N 1.517 121.290 119.914 -0.235 0.000 2.851 307 V HA 0.381 4.502 4.120 0.002 0.000 0.307 307 V C -0.214 175.655 176.094 -0.376 0.000 1.129 307 V CA -0.720 61.438 62.300 -0.236 0.000 0.932 307 V CB 2.510 34.254 31.823 -0.132 0.000 1.024 307 V HN 0.537 nan 8.190 nan 0.000 0.426 308 I N 5.774 126.126 120.570 -0.363 0.000 2.291 308 I HA 0.283 4.454 4.170 0.002 0.000 0.292 308 I C -2.295 173.739 176.117 -0.139 0.000 1.064 308 I CA -1.683 59.353 61.300 -0.440 0.000 1.269 308 I CB 1.470 39.275 38.000 -0.325 0.000 1.418 308 I HN 0.380 nan 8.210 nan 0.000 0.485 309 P HA -0.005 nan 4.420 nan 0.000 0.266 309 P C -0.266 177.099 177.300 0.109 0.000 1.195 309 P CA -0.159 62.988 63.100 0.079 0.000 0.768 309 P CB 0.574 32.372 31.700 0.164 0.000 0.838 310 A N 3.335 126.205 122.820 0.083 0.000 2.540 310 A HA 0.389 4.710 4.320 0.002 0.000 0.239 310 A C 1.620 179.287 177.584 0.138 0.000 1.061 310 A CA 0.911 53.005 52.037 0.095 0.000 0.758 310 A CB -1.354 17.688 19.000 0.070 0.000 0.991 310 A HN 0.880 nan 8.150 nan 0.000 0.502 311 G N 1.899 110.802 108.800 0.171 0.000 2.217 311 G HA2 -0.200 3.761 3.960 0.002 0.000 0.246 311 G HA3 -0.200 3.761 3.960 0.002 0.000 0.246 311 G C 0.042 175.141 174.900 0.332 0.000 0.990 311 G CA 0.494 45.726 45.100 0.220 0.000 0.627 311 G HN 0.851 nan 8.290 nan 0.000 0.522 312 D N 0.771 121.362 120.400 0.318 0.000 2.354 312 D HA 0.709 5.350 4.640 0.002 0.000 0.247 312 D C 0.681 177.181 176.300 0.334 0.000 1.138 312 D CA 0.800 55.033 54.000 0.388 0.000 0.958 312 D CB 1.273 42.376 40.800 0.506 0.000 1.144 312 D HN 0.708 nan 8.370 nan 0.000 0.458 313 A N 0.660 123.616 122.820 0.228 0.000 2.306 313 A HA 0.688 5.009 4.320 0.002 0.000 0.330 313 A C -1.235 176.339 177.584 -0.016 0.000 1.146 313 A CA -0.466 51.529 52.037 -0.071 0.000 0.827 313 A CB 0.816 19.550 19.000 -0.443 0.000 1.178 313 A HN 0.422 nan 8.150 nan 0.000 0.490 314 L N 2.329 123.430 121.223 -0.204 0.000 2.438 314 L HA 0.734 5.075 4.340 0.002 0.000 0.270 314 L C -0.797 175.958 176.870 -0.192 0.000 0.972 314 L CA -0.385 54.394 54.840 -0.102 0.000 0.831 314 L CB 1.655 43.666 42.059 -0.080 0.000 1.273 314 L HN 0.733 nan 8.230 nan 0.000 0.405 315 I N 2.365 122.869 120.570 -0.110 0.000 2.648 315 I HA 0.748 4.919 4.170 0.002 0.000 0.304 315 I C -1.073 174.991 176.117 -0.087 0.000 1.009 315 I CA -1.074 60.162 61.300 -0.106 0.000 1.114 315 I CB 2.106 40.065 38.000 -0.069 0.000 1.293 315 I HN 0.287 nan 8.210 nan 0.000 0.449 316 V N 3.785 123.628 119.914 -0.118 0.000 2.347 316 V HA 0.230 4.351 4.120 0.002 0.000 0.280 316 V C 0.348 176.273 176.094 -0.282 0.000 1.021 316 V CA -0.307 61.818 62.300 -0.293 0.000 0.847 316 V CB 1.097 32.606 31.823 -0.524 0.000 0.990 316 V HN 0.837 nan 8.190 nan 0.000 0.444 317 S N 4.870 120.466 115.700 -0.174 0.000 3.869 317 S HA 0.228 4.699 4.470 0.002 0.000 0.241 317 S C 0.896 175.359 174.600 -0.227 0.000 1.363 317 S CA -0.371 57.775 58.200 -0.091 0.000 0.894 317 S CB -0.443 62.818 63.200 0.101 0.000 1.519 317 S HN 0.697 nan 8.310 nan 0.000 0.470 318 Y N 1.745 121.978 120.300 -0.112 0.000 2.207 318 Y HA -0.180 4.371 4.550 0.002 0.000 0.287 318 Y C 2.569 178.392 175.900 -0.129 0.000 1.156 318 Y CA 1.234 59.276 58.100 -0.097 0.000 1.182 318 Y CB -0.586 37.813 38.460 -0.101 0.000 0.979 318 Y HN 0.628 nan 8.280 nan 0.000 0.521 319 G N -0.265 108.483 108.800 -0.086 0.000 2.480 319 G HA2 -0.281 3.680 3.960 0.002 0.000 0.216 319 G HA3 -0.281 3.680 3.960 0.002 0.000 0.216 319 G C 1.922 176.766 174.900 -0.094 0.000 1.200 319 G CA 1.155 46.173 45.100 -0.136 0.000 0.782 319 G HN 0.472 nan 8.290 nan 0.000 0.554 320 A N 0.617 123.385 122.820 -0.087 0.000 1.902 320 A HA 0.034 4.354 4.320 0.002 0.000 0.217 320 A C 2.416 180.023 177.584 0.038 0.000 1.181 320 A CA 1.599 53.630 52.037 -0.010 0.000 0.623 320 A CB -0.543 18.477 19.000 0.033 0.000 0.818 320 A HN 0.541 nan 8.150 nan 0.000 0.443 321 L N -0.377 120.873 121.223 0.045 0.000 2.127 321 L HA -0.111 4.230 4.340 0.002 0.000 0.211 321 L C 2.239 179.214 176.870 0.175 0.000 1.089 321 L CA 1.751 56.652 54.840 0.103 0.000 0.757 321 L CB -0.596 41.487 42.059 0.040 0.000 0.899 321 L HN 0.369 nan 8.230 nan 0.000 0.434 322 G N -0.142 108.741 108.800 0.138 0.000 2.470 322 G HA2 -0.206 3.755 3.960 0.002 0.000 0.220 322 G HA3 -0.206 3.755 3.960 0.002 0.000 0.220 322 G C 1.353 176.352 174.900 0.165 0.000 1.121 322 G CA 0.328 45.526 45.100 0.163 0.000 0.766 322 G HN 0.434 nan 8.290 nan 0.000 0.553 323 R N 0.488 121.061 120.500 0.122 0.000 2.694 323 R HA 0.139 4.480 4.340 0.002 0.000 0.334 323 R C -0.693 175.687 176.300 0.135 0.000 1.143 323 R CA -0.428 55.750 56.100 0.131 0.000 1.073 323 R CB 0.367 30.704 30.300 0.062 0.000 1.366 323 R HN 0.081 nan 8.270 nan 0.000 0.577 324 D N 1.731 122.226 120.400 0.159 0.000 2.346 324 D HA -0.017 4.624 4.640 0.002 0.000 0.260 324 D C 0.719 177.008 176.300 -0.017 0.000 1.252 324 D CA 0.300 54.313 54.000 0.023 0.000 0.895 324 D CB 0.831 41.628 40.800 -0.005 0.000 1.097 324 D HN 0.162 nan 8.370 nan 0.000 0.489 325 E N 2.693 122.870 120.200 -0.040 0.000 2.209 325 E HA -0.193 4.158 4.350 0.002 0.000 0.196 325 E C 1.632 178.171 176.600 -0.101 0.000 0.993 325 E CA 0.738 57.114 56.400 -0.039 0.000 0.819 325 E CB 0.251 29.933 29.700 -0.031 0.000 0.745 325 E HN 0.493 nan 8.360 nan 0.000 0.477 326 R N 0.107 120.515 120.500 -0.153 0.000 2.152 326 R HA -0.076 4.265 4.340 0.002 0.000 0.232 326 R C 2.070 178.237 176.300 -0.220 0.000 1.117 326 R CA 1.171 57.173 56.100 -0.163 0.000 0.981 326 R CB -0.068 30.129 30.300 -0.172 0.000 0.870 326 R HN 0.074 nan 8.270 nan 0.000 0.451 327 A N -0.093 122.515 122.820 -0.354 0.000 2.014 327 A HA 0.037 4.357 4.320 0.002 0.000 0.210 327 A C 1.170 178.318 177.584 -0.728 0.000 1.188 327 A CA 0.406 52.049 52.037 -0.656 0.000 0.731 327 A CB 0.129 18.460 19.000 -1.115 0.000 0.858 327 A HN 0.235 nan 8.150 nan 0.000 0.464 328 H N -0.774 118.218 119.070 -0.129 0.000 2.893 328 H HA 0.374 4.931 4.556 0.002 0.000 0.270 328 H C 1.114 176.403 175.328 -0.065 0.000 1.095 328 H CA 0.476 56.469 56.048 -0.090 0.000 1.186 328 H CB 0.322 30.047 29.762 -0.062 0.000 1.562 328 H HN 0.633 nan 8.280 nan 0.000 0.536 329 G N 1.653 110.453 108.800 0.000 0.000 2.710 329 G HA2 -0.209 3.752 3.960 0.002 0.000 0.668 329 G HA3 -0.209 3.752 3.960 0.002 0.000 0.668 329 G C -2.024 172.883 174.900 0.012 0.000 1.320 329 G CA -0.496 44.602 45.100 -0.004 0.000 0.860 329 G HN -0.006 nan 8.290 nan 0.000 0.538 330 P HA -0.073 nan 4.420 nan 0.000 0.217 330 P C 1.884 179.196 177.300 0.020 0.000 1.148 330 P CA 2.683 65.788 63.100 0.009 0.000 0.828 330 P CB -0.061 31.640 31.700 0.002 0.000 0.783 331 T N -4.649 109.915 114.554 0.017 0.000 3.235 331 T HA 0.402 4.753 4.350 0.002 0.000 0.251 331 T C 1.515 176.234 174.700 0.032 0.000 1.060 331 T CA 0.265 62.374 62.100 0.015 0.000 0.949 331 T CB -0.646 68.213 68.868 -0.016 0.000 1.020 331 T HN -0.032 nan 8.240 nan 0.000 0.564 332 A N 2.830 125.689 122.820 0.064 0.000 2.067 332 A HA -0.063 4.258 4.320 0.002 0.000 0.219 332 A C 2.105 179.775 177.584 0.143 0.000 1.158 332 A CA 1.315 53.413 52.037 0.103 0.000 0.661 332 A CB -0.513 18.580 19.000 0.155 0.000 0.801 332 A HN 0.733 nan 8.150 nan 0.000 0.452 333 D N 0.153 120.634 120.400 0.136 0.000 2.363 333 D HA -0.055 4.586 4.640 0.002 0.000 0.226 333 D C 0.621 177.116 176.300 0.325 0.000 1.020 333 D CA 0.160 54.274 54.000 0.190 0.000 0.892 333 D CB -0.223 40.652 40.800 0.125 0.000 0.900 333 D HN 0.695 nan 8.370 nan 0.000 0.531 334 R N -1.364 119.277 120.500 0.236 0.000 2.867 334 R HA 0.507 4.848 4.340 0.002 0.000 0.268 334 R C -1.108 174.995 176.300 -0.329 0.000 1.014 334 R CA -1.075 55.092 56.100 0.111 0.000 0.946 334 R CB 0.619 30.952 30.300 0.055 0.000 1.208 334 R HN -0.113 nan 8.270 nan 0.000 0.477 335 F N 2.122 121.427 119.950 -1.076 0.000 2.438 335 F HA 0.220 4.748 4.527 0.002 0.000 0.360 335 F C -0.643 174.730 175.800 -0.712 0.000 1.118 335 F CA 0.054 57.273 58.000 -1.301 0.000 1.164 335 F CB 0.737 38.678 39.000 -1.765 0.000 1.131 335 F HN 0.552 nan 8.300 nan 0.000 0.527 336 D N 6.464 126.306 120.400 -0.931 0.000 2.402 336 D HA 0.136 4.777 4.640 0.002 0.000 0.252 336 D C 0.339 176.229 176.300 -0.683 0.000 1.294 336 D CA -0.421 53.199 54.000 -0.633 0.000 0.948 336 D CB 1.031 41.629 40.800 -0.337 0.000 1.202 336 D HN 0.454 nan 8.370 nan 0.000 0.561 337 L N 2.978 123.777 121.223 -0.707 0.000 2.353 337 L HA -0.029 4.312 4.340 0.002 0.000 0.220 337 L C 2.290 178.979 176.870 -0.302 0.000 1.133 337 L CA 1.949 56.484 54.840 -0.508 0.000 0.798 337 L CB -0.725 41.118 42.059 -0.361 0.000 0.922 337 L HN 0.675 nan 8.230 nan 0.000 0.445 338 T N -3.128 111.274 114.554 -0.253 0.000 3.037 338 T HA 0.024 4.375 4.350 0.002 0.000 0.251 338 T C 1.088 175.701 174.700 -0.145 0.000 1.079 338 T CA -0.512 61.487 62.100 -0.169 0.000 1.067 338 T CB -0.230 68.559 68.868 -0.132 0.000 0.948 338 T HN 0.399 nan 8.240 nan 0.000 0.496 339 R N 1.159 121.555 120.500 -0.173 0.000 2.740 339 R HA 0.127 4.468 4.340 0.002 0.000 0.263 339 R C -1.052 175.192 176.300 -0.093 0.000 0.997 339 R CA 0.500 56.522 56.100 -0.129 0.000 1.108 339 R CB -0.385 29.824 30.300 -0.151 0.000 0.969 339 R HN 0.040 nan 8.270 nan 0.000 0.431 340 T N 2.361 116.879 114.554 -0.060 0.000 3.317 340 T HA 0.124 4.475 4.350 0.002 0.000 0.361 340 T C -0.500 174.189 174.700 -0.018 0.000 1.499 340 T CA -0.474 61.602 62.100 -0.039 0.000 1.529 340 T CB 0.799 69.645 68.868 -0.037 0.000 0.997 340 T HN 0.672 nan 8.240 nan 0.000 0.624 341 S N 0.927 116.630 115.700 0.005 0.000 2.603 341 S HA 0.482 4.953 4.470 0.002 0.000 0.268 341 S C 1.614 176.221 174.600 0.011 0.000 1.317 341 S CA -0.096 58.128 58.200 0.041 0.000 1.012 341 S CB 0.717 64.026 63.200 0.181 0.000 0.926 341 S HN 0.715 nan 8.310 nan 0.000 0.539 342 G N 2.104 110.891 108.800 -0.021 0.000 2.985 342 G HA2 0.168 4.129 3.960 0.002 0.000 0.209 342 G HA3 0.168 4.129 3.960 0.002 0.000 0.209 342 G C -0.179 174.689 174.900 -0.052 0.000 1.165 342 G CA -0.270 44.807 45.100 -0.038 0.000 0.776 342 G HN 0.691 nan 8.290 nan 0.000 0.541 343 N N -0.253 118.405 118.700 -0.070 0.000 2.296 343 N HA 0.460 5.201 4.740 0.002 0.000 0.294 343 N C -0.588 174.946 175.510 0.039 0.000 1.033 343 N CA -0.685 52.306 53.050 -0.099 0.000 0.839 343 N CB 1.843 40.089 38.487 -0.401 0.000 1.395 343 N HN -0.016 nan 8.380 nan 0.000 0.479 344 R N 1.371 121.911 120.500 0.066 0.000 2.490 344 R HA 0.156 4.497 4.340 0.002 0.000 0.278 344 R C 0.436 176.845 176.300 0.182 0.000 1.069 344 R CA -0.641 55.498 56.100 0.066 0.000 1.080 344 R CB 0.389 30.678 30.300 -0.018 0.000 1.030 344 R HN 0.667 nan 8.270 nan 0.000 0.491 345 H N 2.112 121.330 119.070 0.246 0.000 2.745 345 H HA 0.074 4.631 4.556 0.002 0.000 0.373 345 H C 0.419 175.893 175.328 0.243 0.000 1.226 345 H CA -0.045 56.176 56.048 0.289 0.000 1.435 345 H CB 0.801 30.639 29.762 0.126 0.000 1.461 345 H HN 0.710 nan 8.280 nan 0.000 0.616 346 I N -1.194 119.631 120.570 0.426 0.000 3.424 346 I HA 0.223 4.394 4.170 0.002 0.000 0.339 346 I C 0.266 176.564 176.117 0.302 0.000 1.549 346 I CA -0.675 60.801 61.300 0.294 0.000 1.049 346 I CB 0.647 38.719 38.000 0.120 0.000 1.439 346 I HN 0.241 nan 8.210 nan 0.000 0.500 347 S N 0.634 116.532 115.700 0.331 0.000 2.507 347 S HA 0.120 4.590 4.470 0.002 0.000 0.235 347 S C 1.049 175.374 174.600 -0.457 0.000 0.988 347 S CA 1.302 59.387 58.200 -0.192 0.000 0.944 347 S CB -0.376 62.539 63.200 -0.475 0.000 0.762 347 S HN 0.647 nan 8.310 nan 0.000 0.526 348 F N 1.162 121.103 119.950 -0.016 0.000 2.639 348 F HA 0.366 4.894 4.527 0.001 0.000 0.302 348 F C 1.463 177.213 175.800 -0.083 0.000 1.097 348 F CA 0.045 58.005 58.000 -0.067 0.000 1.294 348 F CB 0.352 39.374 39.000 0.037 0.000 1.027 348 F HN 0.288 nan 8.300 nan 0.000 0.550 349 G N 0.317 109.130 108.800 0.021 0.000 2.660 349 G HA2 -0.153 3.808 3.960 0.002 0.000 0.247 349 G HA3 -0.153 3.808 3.960 0.002 0.000 0.247 349 G C -1.361 173.728 174.900 0.315 0.000 1.328 349 G CA -0.644 44.562 45.100 0.177 0.000 0.884 349 G HN 0.446 nan 8.290 nan 0.000 0.531 350 H N -0.545 118.624 119.070 0.164 0.000 3.094 350 H HA 0.556 5.113 4.556 0.002 0.000 0.346 350 H C 0.530 175.919 175.328 0.101 0.000 1.238 350 H CA 0.891 57.006 56.048 0.112 0.000 1.209 350 H CB 1.456 31.267 29.762 0.082 0.000 1.911 350 H HN 2.768 nan 8.280 nan 0.000 0.540 351 G N 3.145 111.665 108.800 -0.467 0.000 2.568 351 G HA2 -0.230 3.731 3.960 0.002 0.000 0.222 351 G HA3 -0.230 3.731 3.960 0.002 0.000 0.222 351 G C -1.987 172.863 174.900 -0.084 0.000 1.321 351 G CA -0.133 44.813 45.100 -0.256 0.000 0.893 351 G HN 0.480 nan 8.290 nan 0.000 0.569 352 P HA -0.027 nan 4.420 nan 0.000 0.215 352 P C 1.202 178.528 177.300 0.043 0.000 1.153 352 P CA 1.637 64.738 63.100 0.000 0.000 0.853 352 P CB -0.134 31.556 31.700 -0.016 0.000 0.788 353 H N -1.232 117.896 119.070 0.096 0.000 2.547 353 H HA 0.136 4.693 4.556 0.001 0.000 0.274 353 H C 0.511 175.898 175.328 0.099 0.000 1.024 353 H CA -0.283 55.836 56.048 0.118 0.000 1.155 353 H CB -0.451 29.310 29.762 -0.002 0.000 1.344 353 H HN 0.019 nan 8.280 nan 0.000 0.598 354 V N 1.588 121.589 119.914 0.146 0.000 2.814 354 V HA -0.141 3.979 4.120 0.002 0.000 0.307 354 V C 0.753 176.904 176.094 0.095 0.000 1.089 354 V CA -0.243 62.127 62.300 0.116 0.000 1.212 354 V CB 0.434 32.296 31.823 0.064 0.000 0.912 354 V HN 0.569 nan 8.190 nan 0.000 0.497 355 C N 10.155 129.517 119.300 0.105 0.000 2.519 355 C HA 0.196 4.657 4.460 0.002 0.000 0.402 355 C C -0.146 174.827 174.990 -0.027 0.000 1.475 355 C CA -0.607 58.452 59.018 0.069 0.000 1.504 355 C CB -0.252 27.583 27.740 0.157 0.000 2.454 355 C HN 0.924 nan 8.230 nan 0.000 0.615 356 P HA 0.106 nan 4.420 nan 0.000 0.241 356 P C 0.997 178.247 177.300 -0.085 0.000 1.191 356 P CA 1.165 64.233 63.100 -0.053 0.000 0.771 356 P CB 0.044 31.726 31.700 -0.030 0.000 0.929 357 G N -0.227 108.518 108.800 -0.091 0.000 3.337 357 G HA2 0.266 4.227 3.960 0.002 0.000 0.246 357 G HA3 0.266 4.227 3.960 0.002 0.000 0.246 357 G C 1.437 176.190 174.900 -0.246 0.000 1.131 357 G CA 0.506 45.542 45.100 -0.105 0.000 0.773 357 G HN 0.245 nan 8.290 nan 0.000 0.544 358 A N 1.460 123.986 122.820 -0.491 0.000 1.873 358 A HA 0.107 4.428 4.320 0.002 0.000 0.218 358 A C 2.771 180.009 177.584 -0.576 0.000 1.193 358 A CA 2.373 53.747 52.037 -1.104 0.000 0.629 358 A CB -0.782 17.531 19.000 -1.144 0.000 0.826 358 A HN 0.770 nan 8.150 nan 0.000 0.447 359 A N -0.937 121.698 122.820 -0.308 0.000 1.933 359 A HA 0.007 4.328 4.320 0.002 0.000 0.218 359 A C 2.140 179.669 177.584 -0.092 0.000 1.175 359 A CA 1.749 53.694 52.037 -0.153 0.000 0.628 359 A CB -0.574 18.367 19.000 -0.099 0.000 0.814 359 A HN 0.701 nan 8.150 nan 0.000 0.444 360 L N 0.893 122.061 121.223 -0.091 0.000 1.994 360 L HA -0.142 4.199 4.340 0.002 0.000 0.208 360 L C 2.768 179.627 176.870 -0.019 0.000 1.071 360 L CA 2.949 57.764 54.840 -0.041 0.000 0.745 360 L CB -0.835 41.204 42.059 -0.034 0.000 0.892 360 L HN 0.481 nan 8.230 nan 0.000 0.431 361 S N -0.815 114.876 115.700 -0.014 0.000 2.382 361 S HA -0.215 4.256 4.470 0.002 0.000 0.228 361 S C 2.131 176.782 174.600 0.084 0.000 1.027 361 S CA 1.088 59.321 58.200 0.055 0.000 0.991 361 S CB -0.701 62.597 63.200 0.164 0.000 0.823 361 S HN 0.492 nan 8.310 nan 0.000 0.469 362 R N 0.028 120.575 120.500 0.078 0.000 2.096 362 R HA 0.044 4.385 4.340 0.002 0.000 0.235 362 R C 2.442 178.782 176.300 0.066 0.000 1.127 362 R CA 1.635 57.798 56.100 0.106 0.000 0.968 362 R CB -0.420 29.930 30.300 0.083 0.000 0.861 362 R HN 0.431 nan 8.270 nan 0.000 0.440 363 M N 1.250 120.868 119.600 0.031 0.000 2.132 363 M HA -0.119 4.362 4.480 0.002 0.000 0.263 363 M C 1.527 177.839 176.300 0.020 0.000 1.065 363 M CA 1.752 57.066 55.300 0.023 0.000 1.122 363 M CB -0.038 32.568 32.600 0.010 0.000 1.365 363 M HN 0.032 nan 8.290 nan 0.000 0.411 364 E N -0.281 119.927 120.200 0.013 0.000 2.031 364 E HA -0.175 4.176 4.350 0.002 0.000 0.193 364 E C 1.988 178.589 176.600 0.001 0.000 0.994 364 E CA 1.385 57.783 56.400 -0.004 0.000 0.800 364 E CB -0.388 29.298 29.700 -0.023 0.000 0.752 364 E HN 0.647 nan 8.360 nan 0.000 0.447 365 A N 1.154 123.990 122.820 0.028 0.000 1.930 365 A HA -0.067 4.254 4.320 0.002 0.000 0.217 365 A C 2.432 180.053 177.584 0.061 0.000 1.175 365 A CA 1.542 53.610 52.037 0.052 0.000 0.627 365 A CB -0.999 18.052 19.000 0.086 0.000 0.815 365 A HN 0.356 nan 8.150 nan 0.000 0.443 366 G N -0.909 107.929 108.800 0.064 0.000 2.448 366 G HA2 -0.038 3.923 3.960 0.002 0.000 0.219 366 G HA3 -0.038 3.923 3.960 0.002 0.000 0.219 366 G C 1.369 176.259 174.900 -0.015 0.000 1.127 366 G CA 1.348 46.484 45.100 0.060 0.000 0.766 366 G HN 0.336 nan 8.290 nan 0.000 0.552 367 V N 0.620 120.523 119.914 -0.018 0.000 2.492 367 V HA 0.149 4.270 4.120 0.002 0.000 0.241 367 V C 3.149 179.217 176.094 -0.043 0.000 1.041 367 V CA 1.404 63.679 62.300 -0.041 0.000 1.057 367 V CB -0.279 31.538 31.823 -0.009 0.000 0.711 367 V HN 0.407 nan 8.190 nan 0.000 0.468 368 A N 0.231 123.058 122.820 0.012 0.000 1.883 368 A HA -0.171 4.150 4.320 0.002 0.000 0.217 368 A C 2.200 179.860 177.584 0.127 0.000 1.186 368 A CA 1.881 53.995 52.037 0.129 0.000 0.624 368 A CB -0.602 18.441 19.000 0.072 0.000 0.822 368 A HN 0.468 nan 8.150 nan 0.000 0.444 369 L N -0.613 120.607 121.223 -0.005 0.000 1.994 369 L HA -0.133 4.208 4.340 0.002 0.000 0.208 369 L C -0.393 176.108 176.870 -0.616 0.000 1.071 369 L CA 1.706 56.479 54.840 -0.112 0.000 0.745 369 L CB -1.470 40.594 42.059 0.008 0.000 0.892 369 L HN 0.248 nan 8.230 nan 0.000 0.431 370 P HA -0.144 nan 4.420 nan 0.000 0.216 370 P C 1.481 178.528 177.300 -0.421 0.000 1.153 370 P CA 1.710 64.059 63.100 -1.252 0.000 0.848 370 P CB -0.028 31.023 31.700 -1.083 0.000 0.787 371 A N -0.444 122.228 122.820 -0.245 0.000 1.908 371 A HA -0.210 4.111 4.320 0.002 0.000 0.218 371 A C 2.162 179.684 177.584 -0.103 0.000 1.181 371 A CA 1.706 53.680 52.037 -0.104 0.000 0.627 371 A CB -1.737 17.260 19.000 -0.006 0.000 0.818 371 A HN 0.168 nan 8.150 nan 0.000 0.445 372 L N -1.581 119.576 121.223 -0.111 0.000 1.989 372 L HA -0.155 4.186 4.340 0.002 0.000 0.211 372 L C 2.279 179.059 176.870 -0.151 0.000 1.071 372 L CA 2.072 56.777 54.840 -0.224 0.000 0.749 372 L CB -0.822 41.054 42.059 -0.305 0.000 0.890 372 L HN 0.455 nan 8.230 nan 0.000 0.431 373 Y N -0.533 119.732 120.300 -0.057 0.000 2.439 373 Y HA 0.011 4.562 4.550 0.002 0.000 0.292 373 Y C 2.418 178.309 175.900 -0.016 0.000 1.130 373 Y CA 0.860 58.986 58.100 0.043 0.000 1.254 373 Y CB -0.702 37.886 38.460 0.215 0.000 1.000 373 Y HN 0.326 nan 8.280 nan 0.000 0.554 374 A N -0.045 122.800 122.820 0.040 0.000 1.929 374 A HA -0.158 4.162 4.320 0.002 0.000 0.216 374 A C 2.174 179.677 177.584 -0.134 0.000 1.176 374 A CA 1.667 53.689 52.037 -0.025 0.000 0.628 374 A CB -0.353 18.614 19.000 -0.054 0.000 0.816 374 A HN 0.300 nan 8.150 nan 0.000 0.444 375 R N -1.364 118.993 120.500 -0.238 0.000 2.100 375 R HA 0.113 4.454 4.340 0.002 0.000 0.220 375 R C -0.676 175.144 176.300 -0.800 0.000 1.091 375 R CA 0.936 56.711 56.100 -0.541 0.000 0.986 375 R CB -0.242 29.661 30.300 -0.662 0.000 0.888 375 R HN 0.382 nan 8.270 nan 0.000 0.444 376 F N -0.041 119.812 119.950 -0.162 0.000 2.550 376 F HA 0.401 4.929 4.527 0.002 0.000 0.348 376 F C -1.856 173.836 175.800 -0.180 0.000 1.219 376 F CA -2.373 55.525 58.000 -0.169 0.000 1.203 376 F CB 1.999 40.873 39.000 -0.210 0.000 1.436 376 F HN -0.045 nan 8.300 nan 0.000 0.541 377 P HA -0.189 nan 4.420 nan 0.000 0.217 377 P C 0.916 178.115 177.300 -0.168 0.000 1.148 377 P CA 1.621 64.631 63.100 -0.149 0.000 0.828 377 P CB 0.043 31.508 31.700 -0.392 0.000 0.783 378 H N -1.509 117.653 119.070 0.154 0.000 2.520 378 H HA 0.182 4.739 4.556 0.002 0.000 0.284 378 H C 0.790 176.171 175.328 0.087 0.000 1.037 378 H CA -0.677 55.446 56.048 0.125 0.000 1.168 378 H CB -0.683 29.133 29.762 0.089 0.000 1.497 378 H HN 0.128 nan 8.280 nan 0.000 0.547 379 L N 0.490 121.770 121.223 0.096 0.000 2.514 379 L HA 0.292 4.633 4.340 0.002 0.000 0.280 379 L C -0.145 176.750 176.870 0.043 0.000 1.223 379 L CA 0.443 55.266 54.840 -0.029 0.000 0.864 379 L CB 0.518 42.425 42.059 -0.254 0.000 1.118 379 L HN -0.115 nan 8.230 nan 0.000 0.494 380 D N 1.804 122.214 120.400 0.017 0.000 2.599 380 D HA 0.422 5.063 4.640 0.002 0.000 0.252 380 D C -0.875 175.432 176.300 0.012 0.000 1.232 380 D CA -0.550 53.479 54.000 0.048 0.000 0.819 380 D CB 1.488 42.325 40.800 0.063 0.000 1.401 380 D HN 0.738 nan 8.370 nan 0.000 0.429 381 L N 1.050 122.286 121.223 0.022 0.000 2.483 381 L HA 0.297 4.638 4.340 0.002 0.000 0.276 381 L C 1.384 178.254 176.870 -0.001 0.000 1.213 381 L CA 0.056 54.901 54.840 0.008 0.000 0.843 381 L CB 0.653 42.720 42.059 0.013 0.000 1.107 381 L HN 0.599 nan 8.230 nan 0.000 0.487 382 A N 3.054 125.869 122.820 -0.008 0.000 2.308 382 A HA 0.387 4.708 4.320 0.002 0.000 0.217 382 A C 0.187 177.767 177.584 -0.006 0.000 1.216 382 A CA 0.291 52.321 52.037 -0.011 0.000 0.864 382 A CB 0.025 19.013 19.000 -0.019 0.000 0.902 382 A HN 0.507 nan 8.150 nan 0.000 0.499 383 V N -5.201 114.712 119.914 -0.002 0.000 3.188 383 V HA 0.647 4.768 4.120 0.002 0.000 0.305 383 V C -3.437 172.658 176.094 0.002 0.000 1.232 383 V CA -2.730 59.570 62.300 -0.000 0.000 1.043 383 V CB 1.152 32.976 31.823 0.002 0.000 1.068 383 V HN -0.019 nan 8.190 nan 0.000 0.439 384 P HA 0.366 nan 4.420 nan 0.000 0.268 384 P C 0.831 178.134 177.300 0.005 0.000 1.205 384 P CA 0.542 63.641 63.100 -0.001 0.000 0.771 384 P CB 1.132 32.831 31.700 -0.001 0.000 0.858 385 A N 3.609 126.431 122.820 0.003 0.000 1.948 385 A HA -0.229 4.092 4.320 0.002 0.000 0.220 385 A C 2.090 179.685 177.584 0.018 0.000 1.177 385 A CA 2.215 54.259 52.037 0.011 0.000 0.636 385 A CB -1.619 17.384 19.000 0.006 0.000 0.815 385 A HN 0.573 nan 8.150 nan 0.000 0.449 386 A N -0.432 122.397 122.820 0.014 0.000 2.070 386 A HA -0.147 4.174 4.320 0.002 0.000 0.220 386 A C 1.770 179.366 177.584 0.020 0.000 1.159 386 A CA 1.509 53.557 52.037 0.018 0.000 0.656 386 A CB -0.419 18.588 19.000 0.013 0.000 0.800 386 A HN 0.684 nan 8.150 nan 0.000 0.453 387 E N -0.554 119.656 120.200 0.017 0.000 2.478 387 E HA 0.150 4.501 4.350 0.002 0.000 0.194 387 E C -0.236 176.382 176.600 0.031 0.000 1.045 387 E CA -0.375 56.036 56.400 0.017 0.000 0.868 387 E CB -0.032 29.673 29.700 0.009 0.000 0.885 387 E HN 0.569 nan 8.360 nan 0.000 0.505 388 L N 1.843 123.089 121.223 0.038 0.000 2.461 388 L HA 0.140 4.481 4.340 0.002 0.000 0.272 388 L C 0.393 177.312 176.870 0.082 0.000 1.197 388 L CA 0.286 55.160 54.840 0.056 0.000 0.836 388 L CB 0.406 42.493 42.059 0.047 0.000 1.105 388 L HN -0.086 nan 8.230 nan 0.000 0.477 389 R N 2.352 122.933 120.500 0.136 0.000 2.393 389 R HA 0.334 4.675 4.340 0.002 0.000 0.315 389 R C -0.696 175.748 176.300 0.241 0.000 0.952 389 R CA -0.805 55.423 56.100 0.213 0.000 0.842 389 R CB 1.205 31.678 30.300 0.290 0.000 1.163 389 R HN 0.543 nan 8.270 nan 0.000 0.450 390 N N 2.677 121.468 118.700 0.152 0.000 2.530 390 N HA 0.078 4.819 4.740 0.002 0.000 0.273 390 N C -0.476 175.033 175.510 -0.003 0.000 1.173 390 N CA 0.063 53.136 53.050 0.039 0.000 0.967 390 N CB 1.178 39.684 38.487 0.033 0.000 1.109 390 N HN 0.267 nan 8.380 nan 0.000 0.453 391 K N 2.095 122.309 120.400 -0.309 0.000 2.237 391 K HA 0.183 4.504 4.320 0.002 0.000 0.270 391 K C -1.934 174.584 176.600 -0.137 0.000 1.015 391 K CA -1.365 54.582 56.287 -0.568 0.000 0.949 391 K CB 0.539 32.570 32.500 -0.782 0.000 0.976 391 K HN 0.360 nan 8.250 nan 0.000 0.472 392 P HA 0.024 nan 4.420 nan 0.000 0.235 392 P C -0.875 176.378 177.300 -0.078 0.000 1.765 392 P CA 0.065 63.176 63.100 0.020 0.000 1.034 392 P CB -0.139 31.629 31.700 0.113 0.000 1.984 393 V N 2.418 122.283 119.914 -0.082 0.000 2.385 393 V HA 0.024 4.145 4.120 0.002 0.000 0.277 393 V C 1.642 177.702 176.094 -0.058 0.000 1.012 393 V CA -0.415 61.833 62.300 -0.088 0.000 0.832 393 V CB 1.453 33.225 31.823 -0.085 0.000 1.028 393 V HN 0.024 nan 8.190 nan 0.000 0.436 394 V N 4.610 124.487 119.914 -0.063 0.000 2.439 394 V HA -0.241 3.880 4.120 0.002 0.000 0.253 394 V C 2.359 178.498 176.094 0.075 0.000 1.074 394 V CA 3.252 65.544 62.300 -0.012 0.000 1.076 394 V CB 0.020 31.809 31.823 -0.056 0.000 0.664 394 V HN 1.052 nan 8.190 nan 0.000 0.461 395 T N -2.883 111.694 114.554 0.039 0.000 3.081 395 T HA 0.122 4.473 4.350 0.002 0.000 0.255 395 T C 0.747 175.471 174.700 0.039 0.000 1.113 395 T CA 0.057 62.214 62.100 0.094 0.000 1.082 395 T CB 0.104 68.998 68.868 0.043 0.000 0.939 395 T HN 0.492 nan 8.240 nan 0.000 0.506 396 Q N 1.540 121.336 119.800 -0.007 0.000 2.351 396 Q HA 0.467 4.808 4.340 0.002 0.000 0.273 396 Q C -1.181 174.780 176.000 -0.065 0.000 1.077 396 Q CA -0.705 55.069 55.803 -0.048 0.000 0.843 396 Q CB 1.452 30.150 28.738 -0.067 0.000 1.367 396 Q HN 0.210 nan 8.270 nan 0.000 0.449 397 N N 1.751 120.398 118.700 -0.089 0.000 2.976 397 N HA 0.149 4.890 4.740 0.002 0.000 0.255 397 N C -1.570 173.878 175.510 -0.103 0.000 1.312 397 N CA -0.061 52.935 53.050 -0.090 0.000 0.897 397 N CB 0.358 38.785 38.487 -0.100 0.000 1.184 397 N HN 0.285 nan 8.380 nan 0.000 0.497 398 D N 1.193 121.521 120.400 -0.119 0.000 2.252 398 D HA 0.398 5.039 4.640 0.002 0.000 0.245 398 D C 0.031 176.239 176.300 -0.153 0.000 1.009 398 D CA -0.315 53.599 54.000 -0.144 0.000 0.870 398 D CB 2.080 42.770 40.800 -0.183 0.000 1.251 398 D HN 0.245 nan 8.370 nan 0.000 0.460 399 L N 1.007 122.160 121.223 -0.117 0.000 2.334 399 L HA 0.374 4.715 4.340 0.002 0.000 0.272 399 L C 1.047 177.869 176.870 -0.080 0.000 1.020 399 L CA -0.889 53.911 54.840 -0.067 0.000 0.812 399 L CB 1.155 43.220 42.059 0.009 0.000 1.264 399 L HN 0.339 nan 8.230 nan 0.000 0.439 400 F N 0.202 120.160 119.950 0.014 0.000 2.146 400 F HA -0.092 4.436 4.527 0.001 0.000 0.298 400 F C 1.341 177.145 175.800 0.006 0.000 1.096 400 F CA 0.910 58.918 58.000 0.013 0.000 1.275 400 F CB 0.332 39.340 39.000 0.014 0.000 1.008 400 F HN 0.563 nan 8.300 nan 0.000 0.480 401 E N -0.226 120.089 120.200 0.193 0.000 2.437 401 E HA 0.347 4.698 4.350 0.002 0.000 0.280 401 E C -1.799 174.844 176.600 0.073 0.000 1.044 401 E CA -0.901 55.563 56.400 0.107 0.000 0.826 401 E CB 1.652 31.406 29.700 0.089 0.000 1.358 401 E HN -0.043 nan 8.360 nan 0.000 0.459 402 L N 1.300 122.553 121.223 0.050 0.000 2.470 402 L HA 0.435 4.776 4.340 0.002 0.000 0.253 402 L C -2.829 174.051 176.870 0.017 0.000 1.163 402 L CA -1.583 53.279 54.840 0.036 0.000 0.932 402 L CB 1.284 43.368 42.059 0.040 0.000 1.213 402 L HN 0.234 nan 8.230 nan 0.000 0.485 403 P HA 0.255 nan 4.420 nan 0.000 0.270 403 P C -0.898 176.391 177.300 -0.019 0.000 1.242 403 P CA 0.103 63.199 63.100 -0.006 0.000 0.768 403 P CB 0.965 32.664 31.700 -0.002 0.000 0.820 404 V N 1.686 121.573 119.914 -0.044 0.000 3.130 404 V HA 0.652 4.773 4.120 0.002 0.000 0.310 404 V C -0.729 175.312 176.094 -0.088 0.000 1.158 404 V CA -1.275 60.987 62.300 -0.064 0.000 1.029 404 V CB 2.784 34.550 31.823 -0.094 0.000 1.057 404 V HN 0.221 nan 8.190 nan 0.000 0.436 405 R N 1.883 122.333 120.500 -0.083 0.000 2.360 405 R HA 0.564 4.905 4.340 0.002 0.000 0.318 405 R C 0.616 176.843 176.300 -0.121 0.000 0.950 405 R CA -0.644 55.405 56.100 -0.084 0.000 0.837 405 R CB 1.773 32.050 30.300 -0.038 0.000 1.165 405 R HN 0.809 nan 8.270 nan 0.000 0.458 406 L N 1.406 122.498 121.223 -0.218 0.000 2.131 406 L HA -0.038 4.302 4.340 0.002 0.000 0.210 406 L C 1.048 177.903 176.870 -0.026 0.000 1.092 406 L CA 1.216 55.854 54.840 -0.336 0.000 0.759 406 L CB -0.208 41.359 42.059 -0.821 0.000 0.903 406 L HN 0.608 nan 8.230 nan 0.000 0.435 407 A N -2.452 120.390 122.820 0.036 0.000 2.552 407 A HA 0.823 5.144 4.320 0.002 0.000 0.288 407 A C -0.623 177.003 177.584 0.070 0.000 1.193 407 A CA 0.292 52.409 52.037 0.133 0.000 0.713 407 A CB 0.881 19.988 19.000 0.178 0.000 1.305 407 A HN 0.289 nan 8.150 nan 0.000 0.424 408 H N 0.000 119.104 119.070 0.057 0.000 2.539 408 H HA 0.000 4.557 4.556 0.002 0.000 0.296 408 H CA 0.000 nan 56.048 nan 0.000 1.023 408 H CB 0.000 nan 29.762 nan 0.000 1.292 408 H HN 0.000 nan 8.280 nan 0.000 0.496