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 1zd3_1_A DATA FIRST_RESID 2 DATA SEQUENCE TLRAAVFDLD GVLALPAVFG VLGRTEEALA LPRGLLNDAF QKGGPEGATT DATA SEQUENCE RLMKGEITLS QWIPLMEENC RKCSETAKVC LPKNFSIKEI FDKAISARKI DATA SEQUENCE NRPMLQAALM LRKKGFTTAI LTNTWLDDRA ERDGLAQLMC ELKMHFDFLI DATA SEQUENCE ESCQVGMVKP EPQIYKFLLD TLKASPSEVV FLDDIGANLK PARDLGMVTI DATA SEQUENCE LVQDTDTALK ELEKVTGIQL TPAPLPTSCN PSDMSHGYVT VKPRVRLHFV DATA SEQUENCE ELGSGPAVCL CHGFPESWYS WRYQIPALAQ AGYRVLAMDM KGYGESSAPP DATA SEQUENCE EIEEYCMEVL CKEMVTFLDK LGLSQAVFIG HDWGGMLVWY MALFYPERVR DATA SEQUENCE AVASLNTPFI PANPNMSPLE SIKANPVFDY QLYFQEPGVA EAELEQNLSR DATA SEQUENCE TFKSLFRASD ESXVLSMHKV CEAGGLFVNS PEEPSLSRMV TEEEIQFYVQ DATA SEQUENCE QFKKSGFRGP LNWYRNMERN WKWACKSLGR KILIPALMVT AEKDFVLVPQ DATA SEQUENCE MSQHMEDWIP HLKRGHIEDC GHWTQMDKPT EVNQILIKWL DSDARN 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.687 174.700 -0.022 0.000 1.109 2 T CA 0.000 62.099 62.100 -0.002 0.000 1.349 2 T CB 0.000 68.879 68.868 0.018 0.000 0.612 3 L N 2.541 123.773 121.223 0.015 0.000 2.456 3 L HA 0.499 4.840 4.340 0.002 0.000 0.272 3 L C 1.436 178.131 176.870 -0.292 0.000 1.189 3 L CA 0.228 55.072 54.840 0.008 0.000 0.846 3 L CB 0.576 42.774 42.059 0.231 0.000 1.111 3 L HN 0.316 nan 8.230 nan 0.000 0.475 4 R N 1.404 121.676 120.500 -0.379 0.000 2.568 4 R HA 0.380 4.721 4.340 0.002 0.000 0.254 4 R C -0.528 175.433 176.300 -0.564 0.000 0.925 4 R CA 0.058 55.755 56.100 -0.671 0.000 1.025 4 R CB 1.212 31.331 30.300 -0.301 0.000 1.428 4 R HN 0.733 nan 8.270 nan 0.000 0.573 5 A N 0.373 123.135 122.820 -0.096 0.000 2.515 5 A HA 0.824 5.145 4.320 0.002 0.000 0.298 5 A C -1.579 176.246 177.584 0.401 0.000 1.059 5 A CA -0.523 51.651 52.037 0.229 0.000 0.698 5 A CB 1.838 20.923 19.000 0.142 0.000 1.289 5 A HN 0.133 nan 8.150 nan 0.000 0.404 6 A N 1.053 124.145 122.820 0.455 0.000 2.356 6 A HA 0.710 5.031 4.320 0.002 0.000 0.310 6 A C -1.043 176.711 177.584 0.284 0.000 1.075 6 A CA -0.468 51.735 52.037 0.278 0.000 0.746 6 A CB 1.288 20.440 19.000 0.254 0.000 1.221 6 A HN 1.325 nan 8.150 nan 0.000 0.443 7 V N 2.551 122.535 119.914 0.117 0.000 2.448 7 V HA 0.571 4.692 4.120 0.002 0.000 0.295 7 V C -1.106 175.073 176.094 0.142 0.000 1.025 7 V CA -0.285 62.168 62.300 0.256 0.000 0.859 7 V CB 0.995 32.942 31.823 0.206 0.000 0.988 7 V HN 0.711 nan 8.190 nan 0.000 0.431 8 F N 2.062 122.178 119.950 0.277 0.000 2.469 8 F HA 0.519 5.047 4.527 0.002 0.000 0.332 8 F C 0.311 176.193 175.800 0.136 0.000 1.103 8 F CA -0.885 57.227 58.000 0.186 0.000 0.979 8 F CB 1.469 40.560 39.000 0.151 0.000 1.137 8 F HN 0.502 nan 8.300 nan 0.000 0.463 9 D N 1.333 121.890 120.400 0.262 0.000 2.354 9 D HA 0.212 4.853 4.640 0.002 0.000 0.247 9 D C 0.437 176.799 176.300 0.103 0.000 1.138 9 D CA -0.165 53.940 54.000 0.174 0.000 0.958 9 D CB 1.222 42.072 40.800 0.084 0.000 1.144 9 D HN 0.435 nan 8.370 nan 0.000 0.458 10 L N 1.495 122.740 121.223 0.038 0.000 2.228 10 L HA 0.251 4.592 4.340 0.002 0.000 0.196 10 L C 0.138 177.021 176.870 0.022 0.000 1.162 10 L CA 0.663 55.500 54.840 -0.005 0.000 0.801 10 L CB -0.593 41.427 42.059 -0.065 0.000 0.983 10 L HN 0.504 nan 8.230 nan 0.000 0.471 11 D N -0.330 120.084 120.400 0.023 0.000 2.472 11 D HA 0.359 5.000 4.640 0.002 0.000 0.248 11 D C 1.047 177.388 176.300 0.068 0.000 1.174 11 D CA 1.520 55.555 54.000 0.058 0.000 0.883 11 D CB 0.388 41.244 40.800 0.093 0.000 1.149 11 D HN 0.685 nan 8.370 nan 0.000 0.488 12 G N 1.666 110.507 108.800 0.069 0.000 2.225 12 G HA2 -0.281 3.680 3.960 0.002 0.000 0.254 12 G HA3 -0.281 3.680 3.960 0.002 0.000 0.254 12 G C 0.836 175.770 174.900 0.058 0.000 0.988 12 G CA 0.369 45.509 45.100 0.066 0.000 0.625 12 G HN 0.506 nan 8.290 nan 0.000 0.527 13 V N -0.337 119.617 119.914 0.066 0.000 3.134 13 V HA 0.377 4.498 4.120 0.002 0.000 0.222 13 V C 2.283 178.442 176.094 0.109 0.000 1.247 13 V CA 1.149 63.507 62.300 0.095 0.000 1.281 13 V CB -0.076 31.817 31.823 0.116 0.000 1.169 13 V HN 0.187 nan 8.190 nan 0.000 0.512 14 L N 0.230 121.507 121.223 0.091 0.000 2.477 14 L HA 0.490 4.831 4.340 0.002 0.000 0.220 14 L C 0.748 177.642 176.870 0.039 0.000 1.106 14 L CA 0.664 55.538 54.840 0.057 0.000 0.851 14 L CB 0.252 42.318 42.059 0.012 0.000 0.994 14 L HN 0.361 nan 8.230 nan 0.000 0.462 15 A N 0.400 123.243 122.820 0.038 0.000 2.393 15 A HA 0.805 5.126 4.320 0.002 0.000 0.306 15 A C -1.060 176.549 177.584 0.043 0.000 1.050 15 A CA -0.337 51.721 52.037 0.036 0.000 0.724 15 A CB 1.479 20.495 19.000 0.028 0.000 1.248 15 A HN 0.047 nan 8.150 nan 0.000 0.424 16 L N 1.709 122.955 121.223 0.039 0.000 2.465 16 L HA 0.511 4.852 4.340 0.002 0.000 0.257 16 L C -2.731 174.156 176.870 0.029 0.000 0.988 16 L CA -2.151 52.710 54.840 0.036 0.000 0.827 16 L CB 3.028 45.105 42.059 0.031 0.000 1.397 16 L HN 0.421 nan 8.230 nan 0.000 0.410 17 P HA 0.189 nan 4.420 nan 0.000 0.277 17 P C -0.845 176.475 177.300 0.033 0.000 1.240 17 P CA -0.404 62.709 63.100 0.020 0.000 0.798 17 P CB 0.801 32.502 31.700 0.002 0.000 0.979 18 A N 2.395 125.242 122.820 0.045 0.000 2.548 18 A HA 0.022 4.344 4.320 0.002 0.000 0.247 18 A C 1.530 179.153 177.584 0.065 0.000 1.067 18 A CA 0.054 52.139 52.037 0.080 0.000 0.757 18 A CB -0.672 18.395 19.000 0.112 0.000 0.996 18 A HN 0.442 nan 8.150 nan 0.000 0.504 19 V N 3.416 123.396 119.914 0.109 0.000 2.407 19 V HA -0.231 3.890 4.120 0.002 0.000 0.248 19 V C 2.019 178.115 176.094 0.003 0.000 1.055 19 V CA 2.278 64.619 62.300 0.068 0.000 1.049 19 V CB -1.121 30.841 31.823 0.232 0.000 0.662 19 V HN 0.957 nan 8.190 nan 0.000 0.455 20 F N 2.337 122.256 119.950 -0.053 0.000 2.307 20 F HA -0.074 4.454 4.527 0.002 0.000 0.301 20 F C 1.967 177.669 175.800 -0.164 0.000 1.076 20 F CA 1.290 59.199 58.000 -0.152 0.000 1.383 20 F CB -0.596 38.380 39.000 -0.041 0.000 1.055 20 F HN 0.152 nan 8.300 nan 0.000 0.526 21 G N -0.943 107.757 108.800 -0.166 0.000 2.985 21 G HA2 -0.006 3.956 3.960 0.002 0.000 0.209 21 G HA3 -0.006 3.956 3.960 0.002 0.000 0.209 21 G C 1.502 176.261 174.900 -0.235 0.000 1.165 21 G CA 0.631 45.593 45.100 -0.231 0.000 0.776 21 G HN 0.351 nan 8.290 nan 0.000 0.541 22 V N 0.302 120.051 119.914 -0.275 0.000 2.951 22 V HA 0.107 4.228 4.120 0.002 0.000 0.255 22 V C 2.587 178.512 176.094 -0.281 0.000 1.088 22 V CA 0.842 62.981 62.300 -0.269 0.000 1.109 22 V CB -0.123 31.491 31.823 -0.349 0.000 0.724 22 V HN 0.403 nan 8.190 nan 0.000 0.471 23 L N 0.220 121.233 121.223 -0.350 0.000 2.017 23 L HA -0.024 4.317 4.340 0.002 0.000 0.208 23 L C 2.650 179.416 176.870 -0.174 0.000 1.073 23 L CA 1.868 56.554 54.840 -0.256 0.000 0.745 23 L CB -1.216 40.652 42.059 -0.320 0.000 0.894 23 L HN 0.447 nan 8.230 nan 0.000 0.432 24 G N -0.267 108.405 108.800 -0.213 0.000 2.421 24 G HA2 -0.221 3.740 3.960 0.002 0.000 0.216 24 G HA3 -0.221 3.740 3.960 0.002 0.000 0.216 24 G C 1.723 176.565 174.900 -0.096 0.000 1.171 24 G CA 0.420 45.436 45.100 -0.141 0.000 0.775 24 G HN 0.260 nan 8.290 nan 0.000 0.543 25 R N -0.201 120.237 120.500 -0.105 0.000 2.120 25 R HA -0.038 4.304 4.340 0.002 0.000 0.234 25 R C 2.719 178.986 176.300 -0.054 0.000 1.123 25 R CA 1.606 57.662 56.100 -0.073 0.000 0.975 25 R CB -0.472 29.781 30.300 -0.079 0.000 0.866 25 R HN 0.280 nan 8.270 nan 0.000 0.446 26 T N 0.727 115.246 114.554 -0.057 0.000 2.904 26 T HA -0.080 4.271 4.350 0.002 0.000 0.267 26 T C 1.408 176.116 174.700 0.012 0.000 1.059 26 T CA 1.102 63.195 62.100 -0.012 0.000 1.137 26 T CB -0.007 68.867 68.868 0.009 0.000 0.879 26 T HN 0.386 nan 8.240 nan 0.000 0.467 27 E N 1.289 121.484 120.200 -0.009 0.000 2.051 27 E HA -0.134 4.217 4.350 0.002 0.000 0.192 27 E C 2.355 178.944 176.600 -0.017 0.000 0.991 27 E CA 1.032 57.424 56.400 -0.013 0.000 0.799 27 E CB -0.091 29.593 29.700 -0.027 0.000 0.748 27 E HN 0.596 nan 8.360 nan 0.000 0.449 28 E N 0.977 121.164 120.200 -0.022 0.000 2.031 28 E HA -0.181 4.170 4.350 0.002 0.000 0.193 28 E C 2.254 178.846 176.600 -0.013 0.000 0.994 28 E CA 0.910 57.299 56.400 -0.019 0.000 0.800 28 E CB -0.212 29.474 29.700 -0.023 0.000 0.752 28 E HN 0.222 nan 8.360 nan 0.000 0.447 29 A N 1.549 124.363 122.820 -0.010 0.000 1.917 29 A HA -0.164 4.157 4.320 0.002 0.000 0.219 29 A C 2.125 179.712 177.584 0.004 0.000 1.182 29 A CA 1.268 53.303 52.037 -0.003 0.000 0.633 29 A CB -0.595 18.404 19.000 -0.001 0.000 0.819 29 A HN 0.155 nan 8.150 nan 0.000 0.448 30 L N -1.610 119.619 121.223 0.009 0.000 2.611 30 L HA 0.283 4.624 4.340 0.002 0.000 0.229 30 L C 1.473 178.335 176.870 -0.013 0.000 1.137 30 L CA 0.283 55.128 54.840 0.008 0.000 0.901 30 L CB -0.261 41.814 42.059 0.026 0.000 1.098 30 L HN 0.540 nan 8.230 nan 0.000 0.456 31 A N 0.191 123.002 122.820 -0.015 0.000 2.826 31 A HA -0.222 4.099 4.320 0.002 0.000 0.274 31 A C 0.390 177.956 177.584 -0.031 0.000 1.443 31 A CA 0.732 52.757 52.037 -0.020 0.000 0.833 31 A CB -2.337 16.653 19.000 -0.018 0.000 1.023 31 A HN 0.372 nan 8.150 nan 0.000 0.600 32 L N -0.759 120.441 121.223 -0.038 0.000 2.439 32 L HA 0.435 4.777 4.340 0.002 0.000 0.261 32 L C -1.714 175.132 176.870 -0.040 0.000 1.153 32 L CA -2.269 52.539 54.840 -0.054 0.000 0.808 32 L CB 0.255 42.268 42.059 -0.076 0.000 1.126 32 L HN 0.065 nan 8.230 nan 0.000 0.460 33 P HA 0.044 nan 4.420 nan 0.000 0.265 33 P C -0.800 176.487 177.300 -0.022 0.000 1.193 33 P CA -0.033 63.050 63.100 -0.028 0.000 0.765 33 P CB 0.348 32.031 31.700 -0.027 0.000 0.823 34 R N 2.246 122.736 120.500 -0.016 0.000 2.585 34 R HA 0.187 4.528 4.340 0.002 0.000 0.275 34 R C 1.503 177.798 176.300 -0.008 0.000 1.018 34 R CA 1.133 57.224 56.100 -0.014 0.000 1.072 34 R CB -0.509 29.784 30.300 -0.011 0.000 0.953 34 R HN 0.887 nan 8.270 nan 0.000 0.419 35 G N 2.238 111.031 108.800 -0.012 0.000 2.189 35 G HA2 -0.293 3.668 3.960 0.002 0.000 0.267 35 G HA3 -0.293 3.668 3.960 0.002 0.000 0.267 35 G C 0.732 175.645 174.900 0.020 0.000 0.975 35 G CA 0.285 45.386 45.100 0.002 0.000 0.644 35 G HN 0.558 nan 8.290 nan 0.000 0.537 36 L N 0.400 121.628 121.223 0.009 0.000 1.971 36 L HA -0.027 4.314 4.340 0.002 0.000 0.215 36 L C 2.859 179.759 176.870 0.049 0.000 1.072 36 L CA 2.811 57.659 54.840 0.014 0.000 0.758 36 L CB -0.984 41.062 42.059 -0.021 0.000 0.889 36 L HN 0.475 nan 8.230 nan 0.000 0.433 37 L N 0.049 121.304 121.223 0.054 0.000 2.083 37 L HA -0.255 4.086 4.340 0.002 0.000 0.209 37 L C 2.348 179.316 176.870 0.164 0.000 1.083 37 L CA 1.669 56.583 54.840 0.122 0.000 0.752 37 L CB -0.766 41.361 42.059 0.113 0.000 0.899 37 L HN 0.453 nan 8.230 nan 0.000 0.433 38 N N 0.211 118.968 118.700 0.094 0.000 2.120 38 N HA -0.204 4.537 4.740 0.002 0.000 0.188 38 N C 1.453 177.128 175.510 0.274 0.000 1.024 38 N CA 1.585 54.727 53.050 0.152 0.000 0.852 38 N CB -0.006 38.506 38.487 0.041 0.000 1.003 38 N HN 0.207 nan 8.380 nan 0.000 0.424 39 D N 0.178 120.686 120.400 0.180 0.000 2.123 39 D HA -0.123 4.518 4.640 0.002 0.000 0.196 39 D C 1.768 178.179 176.300 0.185 0.000 0.992 39 D CA 1.430 55.528 54.000 0.164 0.000 0.833 39 D CB -0.679 40.181 40.800 0.100 0.000 0.954 39 D HN 0.457 nan 8.370 nan 0.000 0.455 40 A N 0.165 123.096 122.820 0.185 0.000 2.019 40 A HA -0.157 4.164 4.320 0.002 0.000 0.219 40 A C 1.986 179.724 177.584 0.256 0.000 1.164 40 A CA 0.777 52.917 52.037 0.171 0.000 0.644 40 A CB -0.809 18.283 19.000 0.153 0.000 0.805 40 A HN 0.215 nan 8.150 nan 0.000 0.449 41 F N 0.427 120.510 119.950 0.221 0.000 2.234 41 F HA -0.034 4.494 4.527 0.002 0.000 0.296 41 F C 1.990 177.977 175.800 0.312 0.000 1.089 41 F CA 1.676 59.886 58.000 0.349 0.000 1.343 41 F CB 0.024 39.285 39.000 0.435 0.000 1.040 41 F HN 0.321 nan 8.300 nan 0.000 0.498 42 Q N 0.282 120.260 119.800 0.297 0.000 2.204 42 Q HA 0.071 4.412 4.340 0.002 0.000 0.209 42 Q C 0.132 176.193 176.000 0.102 0.000 0.861 42 Q CA -0.208 55.692 55.803 0.163 0.000 0.971 42 Q CB 0.235 29.116 28.738 0.239 0.000 1.095 42 Q HN 0.146 nan 8.270 nan 0.000 0.486 43 K N 0.821 121.278 120.400 0.094 0.000 2.430 43 K HA 0.078 4.399 4.320 0.002 0.000 0.280 43 K C 0.686 177.308 176.600 0.037 0.000 1.063 43 K CA 1.089 57.413 56.287 0.061 0.000 1.071 43 K CB -0.150 32.378 32.500 0.047 0.000 0.899 43 K HN 0.400 nan 8.250 nan 0.000 0.473 44 G N 2.740 111.561 108.800 0.035 0.000 2.213 44 G HA2 -0.234 3.727 3.960 0.002 0.000 0.226 44 G HA3 -0.234 3.727 3.960 0.002 0.000 0.226 44 G C 0.689 175.604 174.900 0.024 0.000 0.992 44 G CA -0.063 45.051 45.100 0.024 0.000 0.632 44 G HN 1.317 nan 8.290 nan 0.000 0.511 45 G N 0.892 109.711 108.800 0.031 0.000 2.614 45 G HA2 -0.161 3.800 3.960 0.002 0.000 0.303 45 G HA3 -0.161 3.800 3.960 0.002 0.000 0.303 45 G C -0.530 174.380 174.900 0.016 0.000 1.270 45 G CA 1.190 46.307 45.100 0.029 0.000 0.988 45 G HN 0.841 nan 8.290 nan 0.000 0.551 46 P HA -0.075 nan 4.420 nan 0.000 0.218 46 P C 1.492 178.795 177.300 0.005 0.000 1.150 46 P CA 2.147 65.252 63.100 0.009 0.000 0.841 46 P CB -0.044 31.663 31.700 0.011 0.000 0.784 47 E N -1.276 118.929 120.200 0.008 0.000 2.481 47 E HA 0.179 4.530 4.350 0.002 0.000 0.198 47 E C 1.090 177.696 176.600 0.010 0.000 1.027 47 E CA 0.042 56.446 56.400 0.007 0.000 0.900 47 E CB -0.459 29.245 29.700 0.007 0.000 0.993 47 E HN 0.058 nan 8.360 nan 0.000 0.482 48 G N 0.987 109.794 108.800 0.012 0.000 2.599 48 G HA2 0.322 4.283 3.960 0.002 0.000 0.264 48 G HA3 0.322 4.283 3.960 0.002 0.000 0.264 48 G C 1.024 175.943 174.900 0.032 0.000 1.200 48 G CA -0.001 45.109 45.100 0.017 0.000 0.896 48 G HN 0.136 nan 8.290 nan 0.000 0.536 49 A N 0.203 123.054 122.820 0.052 0.000 1.883 49 A HA -0.091 4.231 4.320 0.002 0.000 0.217 49 A C 2.489 180.215 177.584 0.237 0.000 1.186 49 A CA 2.577 54.691 52.037 0.128 0.000 0.624 49 A CB -1.051 17.985 19.000 0.060 0.000 0.822 49 A HN 0.607 nan 8.150 nan 0.000 0.444 50 T N -0.320 114.361 114.554 0.212 0.000 2.759 50 T HA -0.118 4.233 4.350 0.002 0.000 0.269 50 T C 1.939 176.554 174.700 -0.142 0.000 1.042 50 T CA 1.917 63.982 62.100 -0.058 0.000 1.140 50 T CB -0.496 68.134 68.868 -0.398 0.000 0.864 50 T HN 0.575 nan 8.240 nan 0.000 0.455 51 T N 1.735 116.251 114.554 -0.064 0.000 2.821 51 T HA -0.013 4.339 4.350 0.002 0.000 0.267 51 T C 2.160 176.838 174.700 -0.036 0.000 1.046 51 T CA 0.777 62.847 62.100 -0.051 0.000 1.139 51 T CB -0.098 68.755 68.868 -0.025 0.000 0.871 51 T HN 0.392 nan 8.240 nan 0.000 0.454 52 R N 0.671 121.167 120.500 -0.008 0.000 2.081 52 R HA 0.048 4.389 4.340 0.002 0.000 0.235 52 R C 2.468 178.763 176.300 -0.008 0.000 1.131 52 R CA 0.838 56.940 56.100 0.002 0.000 0.960 52 R CB -0.614 29.703 30.300 0.029 0.000 0.856 52 R HN 0.254 nan 8.270 nan 0.000 0.436 53 L N 0.514 121.723 121.223 -0.024 0.000 2.012 53 L HA -0.188 4.153 4.340 0.002 0.000 0.210 53 L C 2.042 178.879 176.870 -0.055 0.000 1.073 53 L CA 1.861 56.653 54.840 -0.081 0.000 0.748 53 L CB -0.266 41.575 42.059 -0.364 0.000 0.891 53 L HN 0.234 nan 8.230 nan 0.000 0.431 54 M N -0.162 119.393 119.600 -0.075 0.000 2.374 54 M HA -0.139 4.342 4.480 0.002 0.000 0.264 54 M C 1.929 178.201 176.300 -0.046 0.000 1.067 54 M CA 1.495 56.774 55.300 -0.036 0.000 1.103 54 M CB -0.275 32.298 32.600 -0.045 0.000 1.402 54 M HN 0.094 nan 8.290 nan 0.000 0.444 55 K N -1.371 119.002 120.400 -0.046 0.000 2.393 55 K HA 0.275 4.596 4.320 0.002 0.000 0.193 55 K C 0.949 177.520 176.600 -0.048 0.000 1.026 55 K CA 0.671 56.925 56.287 -0.055 0.000 1.064 55 K CB 0.175 32.646 32.500 -0.048 0.000 0.833 55 K HN 0.471 nan 8.250 nan 0.000 0.521 56 G N 1.834 110.618 108.800 -0.028 0.000 2.141 56 G HA2 -0.273 3.688 3.960 0.002 0.000 0.242 56 G HA3 -0.273 3.688 3.960 0.002 0.000 0.242 56 G C 0.523 175.418 174.900 -0.008 0.000 0.982 56 G CA 0.392 45.482 45.100 -0.016 0.000 0.662 56 G HN 0.408 nan 8.290 nan 0.000 0.527 57 E N -0.396 119.801 120.200 -0.006 0.000 2.107 57 E HA 0.147 4.498 4.350 0.002 0.000 0.191 57 E C 1.579 178.187 176.600 0.014 0.000 0.982 57 E CA 1.250 57.651 56.400 0.001 0.000 0.809 57 E CB 0.102 29.802 29.700 0.000 0.000 0.756 57 E HN 0.903 nan 8.360 nan 0.000 0.459 58 I N -2.229 118.358 120.570 0.028 0.000 3.042 58 I HA 0.392 4.563 4.170 0.002 0.000 0.310 58 I C 0.102 176.251 176.117 0.054 0.000 1.117 58 I CA -1.243 60.083 61.300 0.043 0.000 1.003 58 I CB 2.082 40.119 38.000 0.063 0.000 1.228 58 I HN -0.235 nan 8.210 nan 0.000 0.443 59 T N 0.352 114.942 114.554 0.060 0.000 2.847 59 T HA 0.294 4.645 4.350 0.002 0.000 0.279 59 T C 0.819 175.563 174.700 0.074 0.000 0.984 59 T CA -0.599 61.543 62.100 0.070 0.000 0.988 59 T CB 1.521 70.426 68.868 0.061 0.000 1.040 59 T HN 0.703 nan 8.240 nan 0.000 0.528 60 L N 1.358 122.612 121.223 0.051 0.000 2.042 60 L HA -0.015 4.326 4.340 0.002 0.000 0.210 60 L C 2.714 179.606 176.870 0.036 0.000 1.076 60 L CA 1.949 56.752 54.840 -0.062 0.000 0.749 60 L CB -1.208 40.721 42.059 -0.216 0.000 0.893 60 L HN 0.852 nan 8.230 nan 0.000 0.432 61 S N -1.034 114.686 115.700 0.035 0.000 2.419 61 S HA -0.189 4.282 4.470 0.002 0.000 0.233 61 S C 1.826 176.445 174.600 0.032 0.000 1.016 61 S CA 1.141 59.357 58.200 0.028 0.000 0.974 61 S CB -0.229 62.984 63.200 0.023 0.000 0.786 61 S HN 0.579 nan 8.310 nan 0.000 0.492 62 Q N -1.001 118.832 119.800 0.055 0.000 2.187 62 Q HA -0.055 4.286 4.340 0.002 0.000 0.199 62 Q C 1.797 177.834 176.000 0.062 0.000 0.957 62 Q CA 0.873 56.702 55.803 0.044 0.000 0.857 62 Q CB -0.115 28.653 28.738 0.050 0.000 0.929 62 Q HN 0.742 nan 8.270 nan 0.000 0.453 63 W N 1.273 122.503 121.300 -0.116 0.000 2.418 63 W HA -0.089 4.573 4.660 0.002 0.000 0.292 63 W C 1.452 177.873 176.519 -0.163 0.000 1.213 63 W CA 0.913 58.169 57.345 -0.149 0.000 1.283 63 W CB -0.098 29.238 29.460 -0.207 0.000 1.119 63 W HN -0.020 nan 8.180 nan 0.000 0.542 64 I N 1.497 122.016 120.570 -0.085 0.000 2.087 64 I HA -0.342 3.829 4.170 0.002 0.000 0.240 64 I C -0.514 175.383 176.117 -0.367 0.000 1.054 64 I CA 1.942 63.065 61.300 -0.294 0.000 1.311 64 I CB -1.989 35.947 38.000 -0.108 0.000 1.024 64 I HN -0.063 nan 8.210 nan 0.000 0.402 65 P HA -0.151 nan 4.420 nan 0.000 0.216 65 P C 1.740 178.898 177.300 -0.235 0.000 1.150 65 P CA 1.244 64.236 63.100 -0.180 0.000 0.837 65 P CB 0.048 31.682 31.700 -0.110 0.000 0.786 66 L N -1.983 119.052 121.223 -0.313 0.000 2.093 66 L HA -0.089 4.252 4.340 0.002 0.000 0.208 66 L C 2.409 179.013 176.870 -0.443 0.000 1.085 66 L CA 1.767 56.412 54.840 -0.325 0.000 0.755 66 L CB -1.360 40.523 42.059 -0.293 0.000 0.904 66 L HN -0.005 nan 8.230 nan 0.000 0.435 67 M N -0.594 118.535 119.600 -0.784 0.000 2.229 67 M HA -0.141 4.340 4.480 0.002 0.000 0.264 67 M C 2.061 178.173 176.300 -0.313 0.000 1.063 67 M CA 1.537 56.392 55.300 -0.742 0.000 1.114 67 M CB -0.257 31.507 32.600 -1.392 0.000 1.387 67 M HN 0.205 nan 8.290 nan 0.000 0.420 68 E N -0.002 120.042 120.200 -0.259 0.000 2.047 68 E HA -0.191 4.160 4.350 0.002 0.000 0.191 68 E C 1.857 178.432 176.600 -0.041 0.000 0.987 68 E CA 1.743 58.096 56.400 -0.078 0.000 0.799 68 E CB -0.090 29.566 29.700 -0.075 0.000 0.752 68 E HN 0.653 nan 8.360 nan 0.000 0.449 69 E N 0.430 120.580 120.200 -0.085 0.000 2.077 69 E HA -0.187 4.164 4.350 0.002 0.000 0.193 69 E C 1.875 178.449 176.600 -0.044 0.000 0.989 69 E CA 0.887 57.253 56.400 -0.057 0.000 0.800 69 E CB -0.125 29.534 29.700 -0.069 0.000 0.746 69 E HN 0.192 nan 8.360 nan 0.000 0.452 70 N N 0.894 119.556 118.700 -0.063 0.000 2.104 70 N HA -0.140 4.601 4.740 0.002 0.000 0.190 70 N C 1.848 177.362 175.510 0.005 0.000 1.024 70 N CA 1.045 54.077 53.050 -0.030 0.000 0.853 70 N CB -0.725 37.740 38.487 -0.038 0.000 1.008 70 N HN 0.206 nan 8.380 nan 0.000 0.424 71 C N 0.841 120.157 119.300 0.026 0.000 2.425 71 C HA -0.022 4.439 4.460 0.002 0.000 0.277 71 C C 2.628 177.609 174.990 -0.014 0.000 1.280 71 C CA 0.348 59.392 59.018 0.044 0.000 1.744 71 C CB -0.863 26.967 27.740 0.150 0.000 1.989 71 C HN 0.466 nan 8.230 nan 0.000 0.491 72 R N 0.839 121.333 120.500 -0.010 0.000 2.062 72 R HA -0.070 4.271 4.340 0.002 0.000 0.231 72 R C 2.309 178.594 176.300 -0.026 0.000 1.136 72 R CA 0.990 57.073 56.100 -0.028 0.000 0.948 72 R CB -0.228 30.062 30.300 -0.016 0.000 0.845 72 R HN 0.385 nan 8.270 nan 0.000 0.430 73 K N 0.468 120.857 120.400 -0.017 0.000 2.152 73 K HA -0.117 4.205 4.320 0.002 0.000 0.206 73 K C 2.091 178.685 176.600 -0.009 0.000 1.048 73 K CA 1.079 57.358 56.287 -0.013 0.000 0.933 73 K CB -0.578 31.916 32.500 -0.010 0.000 0.721 73 K HN 0.250 nan 8.250 nan 0.000 0.447 74 C N 1.176 120.472 119.300 -0.005 0.000 2.450 74 C HA -0.040 4.421 4.460 0.002 0.000 0.279 74 C C 2.887 177.866 174.990 -0.017 0.000 1.335 74 C CA 1.261 60.279 59.018 0.000 0.000 1.749 74 C CB -0.832 26.919 27.740 0.018 0.000 1.963 74 C HN 0.585 nan 8.230 nan 0.000 0.501 75 S N 0.155 115.832 115.700 -0.037 0.000 2.489 75 S HA -0.114 4.357 4.470 0.002 0.000 0.228 75 S C 1.571 176.146 174.600 -0.041 0.000 0.995 75 S CA 1.142 59.309 58.200 -0.055 0.000 0.934 75 S CB -0.425 62.719 63.200 -0.095 0.000 0.771 75 S HN 0.791 nan 8.310 nan 0.000 0.522 76 E N 1.249 121.431 120.200 -0.030 0.000 2.051 76 E HA -0.111 4.240 4.350 0.002 0.000 0.189 76 E C 2.062 178.652 176.600 -0.017 0.000 0.979 76 E CA 1.305 57.691 56.400 -0.023 0.000 0.803 76 E CB -0.363 29.326 29.700 -0.019 0.000 0.761 76 E HN 0.527 nan 8.360 nan 0.000 0.451 77 T N -0.935 113.612 114.554 -0.012 0.000 2.951 77 T HA 0.036 4.387 4.350 0.002 0.000 0.268 77 T C 1.547 176.242 174.700 -0.008 0.000 1.073 77 T CA 1.189 63.285 62.100 -0.007 0.000 1.134 77 T CB -0.155 68.713 68.868 -0.001 0.000 0.884 77 T HN 0.239 nan 8.240 nan 0.000 0.479 78 A N 0.544 123.356 122.820 -0.013 0.000 2.208 78 A HA 0.327 4.648 4.320 0.002 0.000 0.209 78 A C 0.943 178.516 177.584 -0.020 0.000 1.161 78 A CA 0.369 52.398 52.037 -0.015 0.000 0.782 78 A CB -0.338 18.651 19.000 -0.019 0.000 0.816 78 A HN 0.654 nan 8.150 nan 0.000 0.477 79 K N -1.065 119.323 120.400 -0.021 0.000 3.239 79 K HA -0.117 4.204 4.320 0.002 0.000 0.270 79 K C -0.935 175.648 176.600 -0.029 0.000 1.049 79 K CA 0.633 56.906 56.287 -0.023 0.000 0.769 79 K CB -2.048 30.442 32.500 -0.017 0.000 1.305 79 K HN 0.283 nan 8.250 nan 0.000 0.469 80 V N -0.566 119.324 119.914 -0.040 0.000 3.007 80 V HA 0.416 4.537 4.120 0.002 0.000 0.311 80 V C 0.352 176.406 176.094 -0.066 0.000 1.120 80 V CA -1.028 61.242 62.300 -0.051 0.000 0.980 80 V CB 2.280 34.068 31.823 -0.058 0.000 1.033 80 V HN 0.363 nan 8.190 nan 0.000 0.429 81 C N 2.508 121.765 119.300 -0.072 0.000 2.401 81 C HA 0.767 5.228 4.460 0.002 0.000 0.356 81 C C -0.126 174.785 174.990 -0.131 0.000 1.192 81 C CA -0.610 58.357 59.018 -0.084 0.000 2.028 81 C CB 1.113 28.818 27.740 -0.058 0.000 2.344 81 C HN 0.722 nan 8.230 nan 0.000 0.525 82 L N 2.213 123.338 121.223 -0.163 0.000 2.329 82 L HA 0.430 4.771 4.340 0.002 0.000 0.279 82 L C -2.055 174.732 176.870 -0.139 0.000 1.014 82 L CA -1.327 53.350 54.840 -0.271 0.000 0.814 82 L CB 0.890 42.659 42.059 -0.483 0.000 1.257 82 L HN 0.490 nan 8.230 nan 0.000 0.424 83 P HA -0.063 nan 4.420 nan 0.000 0.268 83 P C 0.215 177.555 177.300 0.066 0.000 1.189 83 P CA -0.050 63.057 63.100 0.013 0.000 0.771 83 P CB 0.473 32.211 31.700 0.063 0.000 0.822 84 K N 1.484 121.915 120.400 0.052 0.000 2.097 84 K HA -0.125 4.196 4.320 0.002 0.000 0.206 84 K C 0.575 177.224 176.600 0.082 0.000 1.049 84 K CA 1.374 57.694 56.287 0.056 0.000 0.933 84 K CB -0.299 32.221 32.500 0.032 0.000 0.717 84 K HN 0.229 nan 8.250 nan 0.000 0.442 85 N N 0.688 119.442 118.700 0.089 0.000 2.378 85 N HA 0.057 4.798 4.740 0.002 0.000 0.243 85 N C -1.179 174.402 175.510 0.118 0.000 1.137 85 N CA -0.188 52.909 53.050 0.079 0.000 0.862 85 N CB -0.094 38.422 38.487 0.048 0.000 1.116 85 N HN 0.119 nan 8.380 nan 0.000 0.499 86 F N 1.743 121.692 119.950 -0.002 0.000 2.471 86 F HA 0.168 4.696 4.527 0.002 0.000 0.365 86 F C 0.426 176.229 175.800 0.005 0.000 1.095 86 F CA -0.479 57.522 58.000 0.001 0.000 1.174 86 F CB 0.588 39.587 39.000 -0.002 0.000 1.105 86 F HN -0.204 nan 8.300 nan 0.000 0.535 87 S N 7.629 123.049 115.700 -0.467 0.000 2.707 87 S HA 0.407 4.878 4.470 0.002 0.000 0.303 87 S C 0.895 175.223 174.600 -0.452 0.000 1.132 87 S CA -0.926 57.059 58.200 -0.358 0.000 1.046 87 S CB 0.357 63.465 63.200 -0.154 0.000 1.004 87 S HN 0.549 nan 8.310 nan 0.000 0.483 88 I N 4.666 125.003 120.570 -0.388 0.000 2.286 88 I HA -0.081 4.090 4.170 0.002 0.000 0.248 88 I C 2.483 178.616 176.117 0.027 0.000 1.115 88 I CA 1.243 62.439 61.300 -0.173 0.000 1.392 88 I CB -0.829 37.098 38.000 -0.122 0.000 1.065 88 I HN 0.723 nan 8.210 nan 0.000 0.418 89 K N 0.619 121.000 120.400 -0.032 0.000 2.057 89 K HA -0.215 4.106 4.320 0.002 0.000 0.207 89 K C 2.069 178.689 176.600 0.033 0.000 1.049 89 K CA 1.211 57.510 56.287 0.020 0.000 0.931 89 K CB 0.058 32.551 32.500 -0.012 0.000 0.714 89 K HN 0.078 nan 8.250 nan 0.000 0.440 90 E N 1.302 121.484 120.200 -0.029 0.000 2.051 90 E HA -0.154 4.197 4.350 0.002 0.000 0.192 90 E C 2.027 178.609 176.600 -0.031 0.000 0.991 90 E CA 1.056 57.436 56.400 -0.034 0.000 0.799 90 E CB -0.254 29.406 29.700 -0.067 0.000 0.748 90 E HN 0.352 nan 8.360 nan 0.000 0.449 91 I N -0.246 120.284 120.570 -0.066 0.000 2.127 91 I HA -0.292 3.879 4.170 0.002 0.000 0.241 91 I C 2.240 178.292 176.117 -0.108 0.000 1.075 91 I CA 1.227 62.464 61.300 -0.105 0.000 1.334 91 I CB -0.338 37.566 38.000 -0.161 0.000 1.040 91 I HN 0.041 nan 8.210 nan 0.000 0.405 92 F N 0.843 120.768 119.950 -0.041 0.000 2.206 92 F HA -0.183 4.345 4.527 0.002 0.000 0.298 92 F C 2.267 178.069 175.800 0.003 0.000 1.090 92 F CA 1.211 59.204 58.000 -0.012 0.000 1.323 92 F CB -0.501 38.491 39.000 -0.012 0.000 1.028 92 F HN 0.086 nan 8.300 nan 0.000 0.492 93 D N 0.299 120.792 120.400 0.155 0.000 2.116 93 D HA -0.214 4.427 4.640 0.002 0.000 0.193 93 D C 2.198 178.536 176.300 0.063 0.000 0.998 93 D CA 1.311 55.372 54.000 0.101 0.000 0.836 93 D CB -0.355 40.482 40.800 0.062 0.000 0.951 93 D HN 0.203 nan 8.370 nan 0.000 0.449 94 K N 0.360 120.774 120.400 0.023 0.000 2.057 94 K HA -0.080 4.241 4.320 0.002 0.000 0.206 94 K C 2.045 178.640 176.600 -0.009 0.000 1.050 94 K CA 1.149 57.436 56.287 -0.000 0.000 0.935 94 K CB -0.022 32.464 32.500 -0.024 0.000 0.715 94 K HN 0.024 nan 8.250 nan 0.000 0.439 95 A N 1.376 124.169 122.820 -0.045 0.000 1.858 95 A HA -0.159 4.162 4.320 0.002 0.000 0.216 95 A C 2.078 179.678 177.584 0.026 0.000 1.190 95 A CA 1.567 53.567 52.037 -0.061 0.000 0.617 95 A CB -0.641 18.238 19.000 -0.201 0.000 0.827 95 A HN 0.311 nan 8.150 nan 0.000 0.443 96 I N 0.753 121.380 120.570 0.096 0.000 2.163 96 I HA -0.278 3.893 4.170 0.002 0.000 0.243 96 I C 2.854 179.037 176.117 0.110 0.000 1.085 96 I CA 1.802 63.201 61.300 0.166 0.000 1.347 96 I CB -0.331 37.820 38.000 0.252 0.000 1.044 96 I HN 0.511 nan 8.210 nan 0.000 0.408 97 S N 1.025 116.774 115.700 0.082 0.000 2.453 97 S HA -0.007 4.464 4.470 0.002 0.000 0.231 97 S C 2.080 176.704 174.600 0.041 0.000 1.005 97 S CA 0.654 58.889 58.200 0.058 0.000 0.949 97 S CB -0.325 62.903 63.200 0.046 0.000 0.774 97 S HN 0.393 nan 8.310 nan 0.000 0.510 98 A N 1.569 124.409 122.820 0.033 0.000 2.016 98 A HA 0.192 4.513 4.320 0.002 0.000 0.217 98 A C 1.498 179.098 177.584 0.026 0.000 1.162 98 A CA 0.106 52.156 52.037 0.020 0.000 0.662 98 A CB -0.447 18.556 19.000 0.004 0.000 0.812 98 A HN 0.529 nan 8.150 nan 0.000 0.450 99 R N 0.587 121.112 120.500 0.040 0.000 2.351 99 R HA 0.252 4.594 4.340 0.002 0.000 0.318 99 R C -0.932 175.392 176.300 0.041 0.000 1.055 99 R CA 0.117 56.244 56.100 0.045 0.000 0.968 99 R CB 0.177 30.517 30.300 0.067 0.000 0.974 99 R HN 0.098 nan 8.270 nan 0.000 0.439 100 K N 3.381 123.802 120.400 0.034 0.000 2.238 100 K HA 0.401 4.723 4.320 0.002 0.000 0.239 100 K C -0.319 176.300 176.600 0.032 0.000 0.987 100 K CA -0.702 55.605 56.287 0.032 0.000 0.857 100 K CB 1.307 33.823 32.500 0.027 0.000 1.154 100 K HN 0.468 nan 8.250 nan 0.000 0.439 101 I N 2.150 122.740 120.570 0.033 0.000 2.618 101 I HA -0.039 4.132 4.170 0.002 0.000 0.284 101 I C 0.289 176.423 176.117 0.029 0.000 1.146 101 I CA -0.041 61.280 61.300 0.035 0.000 1.425 101 I CB 0.374 38.401 38.000 0.045 0.000 1.383 101 I HN 0.469 nan 8.210 nan 0.000 0.562 102 N N 6.963 125.680 118.700 0.029 0.000 2.605 102 N HA 0.043 4.784 4.740 0.002 0.000 0.258 102 N C 1.118 176.635 175.510 0.011 0.000 1.156 102 N CA -0.087 52.978 53.050 0.024 0.000 1.008 102 N CB 0.313 38.821 38.487 0.035 0.000 1.354 102 N HN 0.348 nan 8.380 nan 0.000 0.509 103 R N 2.919 123.421 120.500 0.003 0.000 2.134 103 R HA -0.152 4.189 4.340 0.002 0.000 0.248 103 R C -0.841 175.441 176.300 -0.031 0.000 1.143 103 R CA 1.613 57.703 56.100 -0.016 0.000 0.957 103 R CB -1.934 28.359 30.300 -0.013 0.000 0.867 103 R HN 0.577 nan 8.270 nan 0.000 0.441 104 P HA -0.130 nan 4.420 nan 0.000 0.218 104 P C 1.400 178.688 177.300 -0.020 0.000 1.149 104 P CA 1.082 64.171 63.100 -0.019 0.000 0.817 104 P CB -0.093 31.605 31.700 -0.003 0.000 0.785 105 M N -0.435 119.163 119.600 -0.004 0.000 2.123 105 M HA -0.027 4.454 4.480 0.002 0.000 0.263 105 M C 2.192 178.429 176.300 -0.105 0.000 1.069 105 M CA 1.432 56.735 55.300 0.006 0.000 1.133 105 M CB -1.514 31.121 32.600 0.059 0.000 1.356 105 M HN -0.205 nan 8.290 nan 0.000 0.415 106 L N -0.355 120.813 121.223 -0.092 0.000 2.017 106 L HA -0.281 4.060 4.340 0.002 0.000 0.208 106 L C 2.477 179.210 176.870 -0.228 0.000 1.073 106 L CA 1.989 56.746 54.840 -0.139 0.000 0.745 106 L CB -0.588 41.426 42.059 -0.075 0.000 0.894 106 L HN 0.525 nan 8.230 nan 0.000 0.432 107 Q N -0.457 119.245 119.800 -0.163 0.000 2.096 107 Q HA -0.262 4.079 4.340 0.002 0.000 0.204 107 Q C 2.089 177.996 176.000 -0.156 0.000 0.982 107 Q CA 1.996 57.704 55.803 -0.159 0.000 0.850 107 Q CB -0.093 28.584 28.738 -0.101 0.000 0.901 107 Q HN 0.637 nan 8.270 nan 0.000 0.422 108 A N 0.660 123.405 122.820 -0.125 0.000 1.902 108 A HA -0.099 4.222 4.320 0.002 0.000 0.217 108 A C 2.291 179.791 177.584 -0.139 0.000 1.181 108 A CA 1.630 53.616 52.037 -0.085 0.000 0.623 108 A CB -0.981 18.025 19.000 0.010 0.000 0.818 108 A HN 0.568 nan 8.150 nan 0.000 0.443 109 A N -0.485 122.147 122.820 -0.314 0.000 1.883 109 A HA -0.071 4.250 4.320 0.002 0.000 0.217 109 A C 2.020 179.395 177.584 -0.349 0.000 1.186 109 A CA 1.804 53.571 52.037 -0.449 0.000 0.624 109 A CB -0.622 17.851 19.000 -0.878 0.000 0.822 109 A HN 0.393 nan 8.150 nan 0.000 0.444 110 L N -1.467 119.532 121.223 -0.374 0.000 2.012 110 L HA -0.192 4.149 4.340 0.002 0.000 0.210 110 L C 2.586 179.353 176.870 -0.172 0.000 1.073 110 L CA 2.504 57.167 54.840 -0.295 0.000 0.748 110 L CB -1.016 40.863 42.059 -0.300 0.000 0.891 110 L HN 0.552 nan 8.230 nan 0.000 0.431 111 M N -0.935 118.578 119.600 -0.146 0.000 2.065 111 M HA -0.205 4.277 4.480 0.002 0.000 0.259 111 M C 2.194 178.440 176.300 -0.090 0.000 1.069 111 M CA 1.829 57.070 55.300 -0.098 0.000 1.110 111 M CB -0.645 31.901 32.600 -0.090 0.000 1.328 111 M HN 0.154 nan 8.290 nan 0.000 0.405 112 L N -0.802 120.337 121.223 -0.139 0.000 2.043 112 L HA -0.260 4.081 4.340 0.002 0.000 0.212 112 L C 2.754 179.635 176.870 0.018 0.000 1.075 112 L CA 1.733 56.439 54.840 -0.222 0.000 0.752 112 L CB -0.795 41.021 42.059 -0.404 0.000 0.891 112 L HN 0.395 nan 8.230 nan 0.000 0.432 113 R N 0.600 121.108 120.500 0.014 0.000 2.092 113 R HA -0.200 4.141 4.340 0.002 0.000 0.231 113 R C 2.341 178.674 176.300 0.056 0.000 1.119 113 R CA 1.476 57.614 56.100 0.063 0.000 0.970 113 R CB -0.071 30.198 30.300 -0.051 0.000 0.864 113 R HN 0.217 nan 8.270 nan 0.000 0.440 114 K N 0.662 121.068 120.400 0.010 0.000 2.280 114 K HA -0.102 4.219 4.320 0.002 0.000 0.202 114 K C 0.691 177.322 176.600 0.051 0.000 1.047 114 K CA 1.219 57.516 56.287 0.016 0.000 0.942 114 K CB 0.201 32.696 32.500 -0.009 0.000 0.739 114 K HN 0.057 nan 8.250 nan 0.000 0.457 115 K N -0.524 119.929 120.400 0.089 0.000 2.577 115 K HA 0.102 4.423 4.320 0.002 0.000 0.210 115 K C 0.308 177.031 176.600 0.205 0.000 1.048 115 K CA 0.413 56.779 56.287 0.132 0.000 1.188 115 K CB 0.879 33.455 32.500 0.127 0.000 0.910 115 K HN 0.394 nan 8.250 nan 0.000 0.483 116 G N 0.884 109.784 108.800 0.168 0.000 2.175 116 G HA2 -0.260 3.701 3.960 0.002 0.000 0.244 116 G HA3 -0.260 3.701 3.960 0.002 0.000 0.244 116 G C -0.056 174.922 174.900 0.129 0.000 0.982 116 G CA -0.502 44.671 45.100 0.122 0.000 0.641 116 G HN 0.217 nan 8.290 nan 0.000 0.527 117 F N 1.932 121.904 119.950 0.037 0.000 2.418 117 F HA 0.522 5.050 4.527 0.002 0.000 0.341 117 F C 1.263 177.104 175.800 0.068 0.000 1.120 117 F CA 0.449 58.485 58.000 0.061 0.000 1.232 117 F CB 1.198 40.247 39.000 0.083 0.000 1.175 117 F HN -0.074 nan 8.300 nan 0.000 0.569 118 T N 2.041 116.719 114.554 0.206 0.000 2.728 118 T HA 0.368 4.719 4.350 0.002 0.000 0.296 118 T C 0.069 174.953 174.700 0.306 0.000 0.940 118 T CA -0.660 61.559 62.100 0.198 0.000 1.013 118 T CB 0.234 69.206 68.868 0.172 0.000 0.912 118 T HN 0.659 nan 8.240 nan 0.000 0.484 119 T N 0.493 115.223 114.554 0.294 0.000 2.925 119 T HA 0.874 5.225 4.350 0.002 0.000 0.285 119 T C -0.404 174.599 174.700 0.505 0.000 1.021 119 T CA -0.940 61.417 62.100 0.427 0.000 1.042 119 T CB 1.834 70.905 68.868 0.337 0.000 1.037 119 T HN 0.714 nan 8.240 nan 0.000 0.481 120 A N 1.677 124.859 122.820 0.604 0.000 2.609 120 A HA 0.760 5.081 4.320 0.002 0.000 0.291 120 A C -1.287 176.480 177.584 0.305 0.000 1.096 120 A CA -1.086 51.228 52.037 0.461 0.000 0.684 120 A CB 1.278 20.502 19.000 0.373 0.000 1.282 120 A HN 0.906 nan 8.150 nan 0.000 0.412 121 I N 1.021 121.639 120.570 0.080 0.000 2.406 121 I HA 0.438 4.609 4.170 0.002 0.000 0.290 121 I C -1.262 174.862 176.117 0.012 0.000 0.999 121 I CA -0.660 60.607 61.300 -0.056 0.000 1.124 121 I CB 1.739 39.559 38.000 -0.300 0.000 1.289 121 I HN 0.495 nan 8.210 nan 0.000 0.441 122 L N 6.622 127.877 121.223 0.052 0.000 2.342 122 L HA 0.617 4.958 4.340 0.002 0.000 0.276 122 L C -0.442 176.443 176.870 0.025 0.000 0.997 122 L CA 0.238 55.075 54.840 -0.006 0.000 0.838 122 L CB 1.597 43.587 42.059 -0.114 0.000 1.224 122 L HN 0.657 nan 8.230 nan 0.000 0.416 123 T N 2.847 117.378 114.554 -0.037 0.000 2.933 123 T HA 0.510 4.862 4.350 0.002 0.000 0.305 123 T C -0.949 173.699 174.700 -0.086 0.000 1.092 123 T CA -0.735 61.338 62.100 -0.045 0.000 1.008 123 T CB 0.983 69.804 68.868 -0.079 0.000 1.102 123 T HN 0.489 nan 8.240 nan 0.000 0.469 124 N N 2.804 121.465 118.700 -0.066 0.000 2.408 124 N HA 0.513 5.254 4.740 0.002 0.000 0.257 124 N C -0.269 175.172 175.510 -0.115 0.000 1.064 124 N CA -0.021 52.987 53.050 -0.070 0.000 0.952 124 N CB 1.527 40.000 38.487 -0.023 0.000 1.093 124 N HN 0.732 nan 8.380 nan 0.000 0.490 125 T N 0.604 115.048 114.554 -0.185 0.000 2.696 125 T HA 0.747 5.098 4.350 0.002 0.000 0.291 125 T C -1.654 172.904 174.700 -0.237 0.000 1.095 125 T CA -0.702 61.146 62.100 -0.419 0.000 1.026 125 T CB 0.389 68.881 68.868 -0.626 0.000 1.390 125 T HN 0.500 nan 8.240 nan 0.000 0.513 126 W N 0.631 121.869 121.300 -0.103 0.000 2.929 126 W HA 0.788 5.449 4.660 0.002 0.000 0.345 126 W C -1.735 174.736 176.519 -0.079 0.000 1.151 126 W CA -1.394 55.877 57.345 -0.123 0.000 1.111 126 W CB 0.328 29.672 29.460 -0.194 0.000 1.449 126 W HN 0.520 nan 8.180 nan 0.000 0.572 127 L N 2.868 124.210 121.223 0.198 0.000 2.325 127 L HA 0.131 4.472 4.340 0.002 0.000 0.284 127 L C 0.015 177.049 176.870 0.274 0.000 1.089 127 L CA -0.079 54.839 54.840 0.131 0.000 0.836 127 L CB 0.112 42.217 42.059 0.077 0.000 1.184 127 L HN 0.401 nan 8.230 nan 0.000 0.444 128 D N 3.779 124.344 120.400 0.275 0.000 2.380 128 D HA 0.059 4.700 4.640 0.002 0.000 0.230 128 D C -0.000 176.393 176.300 0.156 0.000 1.154 128 D CA -0.234 53.959 54.000 0.321 0.000 0.859 128 D CB 1.070 42.078 40.800 0.348 0.000 1.045 128 D HN 0.519 nan 8.370 nan 0.000 0.495 129 D N 2.377 122.848 120.400 0.119 0.000 2.538 129 D HA 0.055 4.696 4.640 0.002 0.000 0.231 129 D C 0.345 176.681 176.300 0.060 0.000 1.229 129 D CA -0.420 53.624 54.000 0.073 0.000 0.828 129 D CB 0.048 40.882 40.800 0.056 0.000 1.035 129 D HN 0.173 nan 8.370 nan 0.000 0.495 130 R N 0.062 120.605 120.500 0.072 0.000 2.679 130 R HA 0.489 4.830 4.340 0.002 0.000 0.269 130 R C 1.384 177.713 176.300 0.048 0.000 1.076 130 R CA 0.194 56.328 56.100 0.055 0.000 1.160 130 R CB 0.603 30.943 30.300 0.067 0.000 1.054 130 R HN 0.071 nan 8.270 nan 0.000 0.507 131 A N 1.762 124.603 122.820 0.036 0.000 2.070 131 A HA -0.150 4.171 4.320 0.002 0.000 0.220 131 A C 0.922 178.526 177.584 0.033 0.000 1.159 131 A CA 1.407 53.462 52.037 0.028 0.000 0.656 131 A CB -0.145 18.867 19.000 0.020 0.000 0.800 131 A HN 0.710 nan 8.150 nan 0.000 0.453 132 E N -0.548 119.679 120.200 0.045 0.000 2.465 132 E HA 0.047 4.399 4.350 0.002 0.000 0.195 132 E C 1.591 178.229 176.600 0.064 0.000 1.028 132 E CA 0.158 56.587 56.400 0.049 0.000 0.899 132 E CB -0.080 29.652 29.700 0.053 0.000 1.032 132 E HN 0.770 nan 8.360 nan 0.000 0.468 133 R N 0.481 121.023 120.500 0.070 0.000 2.139 133 R HA -0.223 4.118 4.340 0.002 0.000 0.243 133 R C 1.201 177.537 176.300 0.060 0.000 1.145 133 R CA 1.776 57.926 56.100 0.083 0.000 0.976 133 R CB -0.455 29.892 30.300 0.078 0.000 0.866 133 R HN 0.057 nan 8.270 nan 0.000 0.449 134 D N 0.639 121.063 120.400 0.040 0.000 2.190 134 D HA -0.120 4.521 4.640 0.002 0.000 0.200 134 D C 2.021 178.337 176.300 0.026 0.000 0.992 134 D CA 1.852 55.866 54.000 0.025 0.000 0.854 134 D CB -0.396 40.412 40.800 0.012 0.000 0.936 134 D HN 0.429 nan 8.370 nan 0.000 0.462 135 G N 0.344 109.167 108.800 0.037 0.000 2.459 135 G HA2 -0.253 3.708 3.960 0.002 0.000 0.217 135 G HA3 -0.253 3.708 3.960 0.002 0.000 0.217 135 G C 1.706 176.631 174.900 0.042 0.000 1.183 135 G CA 0.660 45.783 45.100 0.039 0.000 0.776 135 G HN 0.390 nan 8.290 nan 0.000 0.552 136 L N 0.506 121.765 121.223 0.059 0.000 2.093 136 L HA 0.027 4.369 4.340 0.002 0.000 0.208 136 L C 3.304 180.181 176.870 0.012 0.000 1.085 136 L CA 1.161 56.029 54.840 0.046 0.000 0.755 136 L CB -0.244 41.863 42.059 0.079 0.000 0.904 136 L HN 0.315 nan 8.230 nan 0.000 0.435 137 A N -0.527 122.302 122.820 0.015 0.000 1.883 137 A HA -0.292 4.029 4.320 0.002 0.000 0.217 137 A C 2.091 179.673 177.584 -0.003 0.000 1.186 137 A CA 1.861 53.898 52.037 0.000 0.000 0.624 137 A CB -0.548 18.455 19.000 0.005 0.000 0.822 137 A HN 0.575 nan 8.150 nan 0.000 0.444 138 Q N -0.902 118.900 119.800 0.004 0.000 2.124 138 Q HA -0.114 4.227 4.340 0.002 0.000 0.202 138 Q C 2.156 178.161 176.000 0.009 0.000 0.977 138 Q CA 1.430 57.235 55.803 0.004 0.000 0.850 138 Q CB -0.321 28.420 28.738 0.005 0.000 0.901 138 Q HN 0.706 nan 8.270 nan 0.000 0.429 139 L N -0.098 121.132 121.223 0.012 0.000 2.056 139 L HA -0.174 4.167 4.340 0.002 0.000 0.207 139 L C 2.155 179.029 176.870 0.007 0.000 1.078 139 L CA 0.958 55.808 54.840 0.016 0.000 0.749 139 L CB -0.036 42.034 42.059 0.018 0.000 0.901 139 L HN 0.262 nan 8.230 nan 0.000 0.433 140 M N -1.129 118.462 119.600 -0.014 0.000 2.175 140 M HA -0.224 4.257 4.480 0.002 0.000 0.264 140 M C 2.569 178.859 176.300 -0.017 0.000 1.063 140 M CA 1.375 56.656 55.300 -0.030 0.000 1.119 140 M CB -2.007 30.560 32.600 -0.055 0.000 1.377 140 M HN 0.535 nan 8.290 nan 0.000 0.415 141 C N 0.750 120.042 119.300 -0.013 0.000 2.413 141 C HA -0.192 4.269 4.460 0.002 0.000 0.276 141 C C 2.718 177.696 174.990 -0.020 0.000 1.248 141 C CA 1.628 60.636 59.018 -0.017 0.000 1.742 141 C CB -0.904 26.828 27.740 -0.014 0.000 2.017 141 C HN 0.658 nan 8.230 nan 0.000 0.481 142 E N -0.307 119.895 120.200 0.004 0.000 2.072 142 E HA -0.141 4.210 4.350 0.002 0.000 0.190 142 E C 2.206 178.831 176.600 0.043 0.000 0.982 142 E CA 1.094 57.505 56.400 0.019 0.000 0.803 142 E CB -0.213 29.530 29.700 0.072 0.000 0.755 142 E HN 0.720 nan 8.360 nan 0.000 0.453 143 L N 0.835 122.118 121.223 0.101 0.000 2.027 143 L HA -0.163 4.178 4.340 0.002 0.000 0.206 143 L C 2.791 179.785 176.870 0.207 0.000 1.074 143 L CA 1.339 56.310 54.840 0.219 0.000 0.745 143 L CB -0.440 41.679 42.059 0.100 0.000 0.898 143 L HN 0.142 nan 8.230 nan 0.000 0.433 144 K N 0.746 121.185 120.400 0.065 0.000 2.071 144 K HA -0.297 4.024 4.320 0.002 0.000 0.217 144 K C 2.198 178.830 176.600 0.054 0.000 1.054 144 K CA 2.662 58.981 56.287 0.053 0.000 0.937 144 K CB -0.252 32.247 32.500 -0.001 0.000 0.719 144 K HN 0.354 nan 8.250 nan 0.000 0.454 145 M N -1.093 118.453 119.600 -0.091 0.000 2.358 145 M HA -0.135 4.346 4.480 0.002 0.000 0.264 145 M C 0.911 177.101 176.300 -0.185 0.000 1.064 145 M CA 1.611 56.802 55.300 -0.183 0.000 1.093 145 M CB -0.427 31.991 32.600 -0.303 0.000 1.401 145 M HN 0.120 nan 8.290 nan 0.000 0.440 146 H N -0.323 118.789 119.070 0.070 0.000 2.548 146 H HA 0.308 4.865 4.556 0.002 0.000 0.265 146 H C -0.542 174.579 175.328 -0.346 0.000 0.969 146 H CA 0.302 56.271 56.048 -0.131 0.000 1.155 146 H CB -0.135 29.500 29.762 -0.212 0.000 1.394 146 H HN 0.356 nan 8.280 nan 0.000 0.570 147 F N -0.013 119.959 119.950 0.037 0.000 2.561 147 F HA 0.231 4.759 4.527 0.002 0.000 0.321 147 F C 1.330 177.083 175.800 -0.079 0.000 1.065 147 F CA -1.166 56.843 58.000 0.015 0.000 0.934 147 F CB 1.511 40.544 39.000 0.055 0.000 1.215 147 F HN -0.197 nan 8.300 nan 0.000 0.471 148 D N 0.850 121.267 120.400 0.027 0.000 2.183 148 D HA -0.047 4.594 4.640 0.002 0.000 0.203 148 D C -0.281 175.582 176.300 -0.730 0.000 0.969 148 D CA 1.819 55.578 54.000 -0.402 0.000 0.842 148 D CB 0.192 40.683 40.800 -0.515 0.000 0.957 148 D HN 0.108 nan 8.370 nan 0.000 0.484 149 F N -0.524 119.522 119.950 0.159 0.000 2.631 149 F HA 0.384 4.912 4.527 0.002 0.000 0.308 149 F C -0.710 175.136 175.800 0.077 0.000 1.097 149 F CA -1.152 56.904 58.000 0.094 0.000 0.952 149 F CB 1.792 40.825 39.000 0.054 0.000 1.307 149 F HN -0.361 nan 8.300 nan 0.000 0.450 150 L N 4.077 125.445 121.223 0.242 0.000 2.415 150 L HA 0.646 4.987 4.340 0.002 0.000 0.268 150 L C -1.510 175.415 176.870 0.093 0.000 0.984 150 L CA -0.240 54.655 54.840 0.093 0.000 0.853 150 L CB 0.922 43.000 42.059 0.032 0.000 1.215 150 L HN 0.522 nan 8.230 nan 0.000 0.419 151 I N 4.572 125.181 120.570 0.066 0.000 2.330 151 I HA 0.339 4.510 4.170 0.002 0.000 0.286 151 I C -0.208 175.896 176.117 -0.022 0.000 1.025 151 I CA -0.332 61.006 61.300 0.064 0.000 1.197 151 I CB 1.069 39.130 38.000 0.103 0.000 1.358 151 I HN 0.582 nan 8.210 nan 0.000 0.467 152 E N 3.998 124.168 120.200 -0.050 0.000 2.156 152 E HA 0.158 4.509 4.350 0.002 0.000 0.279 152 E C 0.915 177.442 176.600 -0.122 0.000 0.965 152 E CA -0.273 56.066 56.400 -0.102 0.000 0.789 152 E CB 1.701 31.332 29.700 -0.114 0.000 1.098 152 E HN 0.713 nan 8.360 nan 0.000 0.397 153 S N 1.822 117.443 115.700 -0.132 0.000 2.365 153 S HA -0.256 4.215 4.470 0.002 0.000 0.225 153 S C 2.102 176.626 174.600 -0.125 0.000 1.039 153 S CA 1.674 59.793 58.200 -0.136 0.000 1.033 153 S CB -0.900 62.234 63.200 -0.111 0.000 0.887 153 S HN 0.828 nan 8.310 nan 0.000 0.447 154 C N -0.151 119.085 119.300 -0.107 0.000 2.430 154 C HA 0.217 4.678 4.460 0.002 0.000 0.288 154 C C 2.492 177.432 174.990 -0.083 0.000 1.448 154 C CA 0.578 59.548 59.018 -0.080 0.000 1.784 154 C CB -1.663 26.042 27.740 -0.058 0.000 1.776 154 C HN 0.500 nan 8.230 nan 0.000 0.547 155 Q N 1.204 120.943 119.800 -0.102 0.000 2.349 155 Q HA 0.131 4.472 4.340 0.002 0.000 0.209 155 Q C 2.080 178.002 176.000 -0.130 0.000 0.920 155 Q CA 1.566 57.314 55.803 -0.092 0.000 0.901 155 Q CB 0.215 28.910 28.738 -0.072 0.000 1.021 155 Q HN 0.739 nan 8.270 nan 0.000 0.519 156 V N -3.539 116.254 119.914 -0.200 0.000 3.542 156 V HA 0.482 4.603 4.120 0.002 0.000 0.296 156 V C 1.082 177.006 176.094 -0.283 0.000 1.364 156 V CA 0.578 62.680 62.300 -0.329 0.000 1.118 156 V CB -0.244 31.202 31.823 -0.628 0.000 0.972 156 V HN 0.304 nan 8.190 nan 0.000 0.430 157 G N 0.819 109.509 108.800 -0.183 0.000 2.186 157 G HA2 -0.319 3.642 3.960 0.002 0.000 0.266 157 G HA3 -0.319 3.642 3.960 0.002 0.000 0.266 157 G C -0.014 174.801 174.900 -0.141 0.000 0.982 157 G CA 1.363 46.379 45.100 -0.139 0.000 0.670 157 G HN 0.639 nan 8.290 nan 0.000 0.533 158 M N -0.659 118.832 119.600 -0.181 0.000 2.716 158 M HA 0.736 5.217 4.480 0.002 0.000 0.307 158 M C -0.054 176.165 176.300 -0.135 0.000 1.223 158 M CA -1.111 54.097 55.300 -0.154 0.000 0.871 158 M CB 2.833 35.313 32.600 -0.201 0.000 1.739 158 M HN 0.523 nan 8.290 nan 0.000 0.475 159 V N -1.151 118.706 119.914 -0.094 0.000 3.012 159 V HA 0.596 4.717 4.120 0.002 0.000 0.307 159 V C -1.049 175.020 176.094 -0.041 0.000 1.166 159 V CA -1.230 61.023 62.300 -0.078 0.000 0.974 159 V CB 1.844 33.637 31.823 -0.050 0.000 1.040 159 V HN 0.828 nan 8.190 nan 0.000 0.428 160 K N 3.530 123.903 120.400 -0.044 0.000 2.319 160 K HA 0.374 4.695 4.320 0.002 0.000 0.265 160 K C -2.019 174.640 176.600 0.099 0.000 1.000 160 K CA -0.853 55.475 56.287 0.067 0.000 0.943 160 K CB 0.579 33.137 32.500 0.097 0.000 0.950 160 K HN 0.593 nan 8.250 nan 0.000 0.485 161 P HA -0.033 nan 4.420 nan 0.000 0.249 161 P C -1.011 176.480 177.300 0.318 0.000 1.229 161 P CA 0.250 63.509 63.100 0.266 0.000 0.788 161 P CB 0.223 32.006 31.700 0.139 0.000 1.072 162 E N 2.183 122.508 120.200 0.207 0.000 2.868 162 E HA -0.093 4.258 4.350 0.002 0.000 0.246 162 E C -1.133 175.652 176.600 0.308 0.000 0.962 162 E CA -0.651 55.848 56.400 0.165 0.000 0.955 162 E CB 0.188 29.933 29.700 0.075 0.000 0.903 162 E HN 0.320 nan 8.360 nan 0.000 0.524 163 P HA -0.266 nan 4.420 nan 0.000 0.220 163 P C 1.035 178.499 177.300 0.274 0.000 1.148 163 P CA 1.373 64.623 63.100 0.250 0.000 0.803 163 P CB 0.183 31.906 31.700 0.039 0.000 0.782 164 Q N -0.007 119.884 119.800 0.151 0.000 2.096 164 Q HA -0.158 4.183 4.340 0.002 0.000 0.204 164 Q C 2.357 178.412 176.000 0.091 0.000 0.982 164 Q CA 1.188 57.047 55.803 0.094 0.000 0.850 164 Q CB -1.306 27.455 28.738 0.039 0.000 0.901 164 Q HN 0.237 nan 8.270 nan 0.000 0.422 165 I N -0.115 120.474 120.570 0.032 0.000 2.493 165 I HA -0.243 3.928 4.170 0.002 0.000 0.254 165 I C 1.224 177.259 176.117 -0.138 0.000 1.160 165 I CA 0.959 62.203 61.300 -0.093 0.000 1.445 165 I CB 0.119 37.962 38.000 -0.261 0.000 1.086 165 I HN 0.152 nan 8.210 nan 0.000 0.433 166 Y N 0.697 120.985 120.300 -0.020 0.000 2.337 166 Y HA -0.093 4.458 4.550 0.002 0.000 0.293 166 Y C 2.462 178.336 175.900 -0.043 0.000 1.123 166 Y CA 0.737 58.795 58.100 -0.070 0.000 1.201 166 Y CB -0.414 37.996 38.460 -0.083 0.000 1.011 166 Y HN -0.034 nan 8.280 nan 0.000 0.545 167 K N -0.285 120.201 120.400 0.145 0.000 2.057 167 K HA -0.152 4.169 4.320 0.002 0.000 0.206 167 K C 2.028 178.651 176.600 0.038 0.000 1.050 167 K CA 1.075 57.406 56.287 0.074 0.000 0.935 167 K CB -0.961 31.585 32.500 0.075 0.000 0.715 167 K HN 0.312 nan 8.250 nan 0.000 0.439 168 F N 2.193 122.098 119.950 -0.076 0.000 2.126 168 F HA -0.246 4.282 4.527 0.002 0.000 0.299 168 F C 2.114 177.824 175.800 -0.151 0.000 1.096 168 F CA 1.054 58.988 58.000 -0.111 0.000 1.255 168 F CB -0.415 38.511 39.000 -0.123 0.000 0.997 168 F HN -0.064 nan 8.300 nan 0.000 0.479 169 L N 0.103 121.256 121.223 -0.117 0.000 1.989 169 L HA -0.207 4.134 4.340 0.002 0.000 0.211 169 L C 2.137 178.849 176.870 -0.264 0.000 1.071 169 L CA 1.776 56.476 54.840 -0.233 0.000 0.749 169 L CB -1.152 40.791 42.059 -0.195 0.000 0.890 169 L HN 0.179 nan 8.230 nan 0.000 0.431 170 L N -0.187 120.940 121.223 -0.160 0.000 2.042 170 L HA -0.242 4.099 4.340 0.002 0.000 0.210 170 L C 2.288 179.048 176.870 -0.184 0.000 1.076 170 L CA 2.132 56.895 54.840 -0.129 0.000 0.749 170 L CB -1.066 40.957 42.059 -0.061 0.000 0.893 170 L HN 0.473 nan 8.230 nan 0.000 0.432 171 D N -1.779 118.479 120.400 -0.237 0.000 2.117 171 D HA -0.160 4.481 4.640 0.002 0.000 0.198 171 D C 1.966 178.039 176.300 -0.378 0.000 0.982 171 D CA 1.482 55.325 54.000 -0.261 0.000 0.828 171 D CB 0.164 40.816 40.800 -0.247 0.000 0.967 171 D HN 0.226 nan 8.370 nan 0.000 0.464 172 T N -0.031 114.162 114.554 -0.602 0.000 2.821 172 T HA -0.092 4.259 4.350 0.002 0.000 0.267 172 T C 1.684 175.954 174.700 -0.716 0.000 1.046 172 T CA 0.601 62.232 62.100 -0.781 0.000 1.139 172 T CB -0.162 68.083 68.868 -1.038 0.000 0.871 172 T HN 0.070 nan 8.240 nan 0.000 0.454 173 L N 0.529 121.481 121.223 -0.452 0.000 2.217 173 L HA 0.204 4.545 4.340 0.002 0.000 0.211 173 L C 1.130 177.950 176.870 -0.084 0.000 1.107 173 L CA 1.176 55.900 54.840 -0.193 0.000 0.783 173 L CB -0.523 41.483 42.059 -0.087 0.000 0.919 173 L HN 0.221 nan 8.230 nan 0.000 0.442 174 K N -1.181 119.144 120.400 -0.126 0.000 3.125 174 K HA -0.162 4.159 4.320 0.002 0.000 0.268 174 K C -0.271 176.303 176.600 -0.045 0.000 1.078 174 K CA 0.432 56.676 56.287 -0.073 0.000 0.775 174 K CB -1.530 30.949 32.500 -0.035 0.000 1.253 174 K HN 0.356 nan 8.250 nan 0.000 0.486 175 A N 0.336 123.125 122.820 -0.051 0.000 2.515 175 A HA 0.670 4.991 4.320 0.002 0.000 0.298 175 A C -0.027 177.538 177.584 -0.032 0.000 1.059 175 A CA -0.250 51.767 52.037 -0.034 0.000 0.698 175 A CB 1.314 20.300 19.000 -0.022 0.000 1.289 175 A HN 0.273 nan 8.150 nan 0.000 0.404 176 S N 1.937 117.622 115.700 -0.024 0.000 2.592 176 S HA 0.454 4.925 4.470 0.002 0.000 0.271 176 S C -1.967 172.629 174.600 -0.006 0.000 1.326 176 S CA -0.847 57.343 58.200 -0.017 0.000 1.024 176 S CB 0.673 63.865 63.200 -0.014 0.000 0.921 176 S HN 0.407 nan 8.310 nan 0.000 0.527 177 P HA -0.214 nan 4.420 nan 0.000 0.217 177 P C 1.858 179.170 177.300 0.020 0.000 1.158 177 P CA 1.843 64.951 63.100 0.013 0.000 0.887 177 P CB -0.199 31.507 31.700 0.010 0.000 0.792 178 S N 0.048 115.755 115.700 0.012 0.000 2.400 178 S HA -0.238 4.233 4.470 0.002 0.000 0.234 178 S C 1.258 175.870 174.600 0.019 0.000 1.049 178 S CA 1.765 59.974 58.200 0.014 0.000 1.039 178 S CB -0.961 62.243 63.200 0.006 0.000 0.856 178 S HN 0.408 nan 8.310 nan 0.000 0.465 179 E N 0.262 120.467 120.200 0.009 0.000 2.405 179 E HA 0.384 4.735 4.350 0.002 0.000 0.214 179 E C -0.750 175.865 176.600 0.025 0.000 1.101 179 E CA -0.415 55.985 56.400 0.001 0.000 1.254 179 E CB 0.369 30.046 29.700 -0.039 0.000 1.240 179 E HN 0.269 nan 8.360 nan 0.000 0.439 180 V N 0.988 120.938 119.914 0.060 0.000 2.686 180 V HA 0.275 4.396 4.120 0.002 0.000 0.306 180 V C -0.845 175.322 176.094 0.122 0.000 1.065 180 V CA -1.090 61.268 62.300 0.096 0.000 0.894 180 V CB 2.028 33.892 31.823 0.069 0.000 1.004 180 V HN 0.228 nan 8.190 nan 0.000 0.424 181 V N 5.996 125.999 119.914 0.149 0.000 2.459 181 V HA 0.748 4.870 4.120 0.002 0.000 0.295 181 V C -1.526 174.649 176.094 0.134 0.000 1.029 181 V CA -0.442 61.928 62.300 0.116 0.000 0.874 181 V CB 1.541 33.413 31.823 0.081 0.000 0.985 181 V HN 0.724 nan 8.190 nan 0.000 0.438 182 F N 7.892 127.807 119.950 -0.057 0.000 2.493 182 F HA 0.706 5.234 4.527 0.002 0.000 0.329 182 F C -1.358 174.376 175.800 -0.109 0.000 1.126 182 F CA -1.528 56.425 58.000 -0.078 0.000 0.937 182 F CB 1.710 40.723 39.000 0.022 0.000 1.146 182 F HN 0.341 nan 8.300 nan 0.000 0.442 183 L N 5.923 126.833 121.223 -0.521 0.000 2.296 183 L HA 0.511 4.852 4.340 0.002 0.000 0.286 183 L C -0.570 175.860 176.870 -0.732 0.000 1.023 183 L CA -0.326 54.188 54.840 -0.543 0.000 0.812 183 L CB 1.190 43.021 42.059 -0.381 0.000 1.223 183 L HN 0.610 nan 8.230 nan 0.000 0.421 184 D N 1.163 121.205 120.400 -0.598 0.000 2.602 184 D HA 0.154 4.795 4.640 0.002 0.000 0.236 184 D C -0.358 175.829 176.300 -0.188 0.000 1.209 184 D CA -0.202 53.548 54.000 -0.418 0.000 0.831 184 D CB 3.061 43.533 40.800 -0.547 0.000 1.478 184 D HN 0.614 nan 8.370 nan 0.000 0.438 185 D N 0.967 121.319 120.400 -0.081 0.000 2.360 185 D HA 0.087 4.728 4.640 0.002 0.000 0.210 185 D C 0.683 176.986 176.300 0.004 0.000 1.047 185 D CA 0.133 54.120 54.000 -0.021 0.000 0.854 185 D CB 0.664 41.479 40.800 0.024 0.000 0.936 185 D HN 0.282 nan 8.370 nan 0.000 0.514 186 I N 1.349 121.913 120.570 -0.009 0.000 2.330 186 I HA 0.265 4.436 4.170 0.002 0.000 0.286 186 I C 1.708 177.834 176.117 0.015 0.000 1.025 186 I CA -0.740 60.571 61.300 0.018 0.000 1.197 186 I CB 1.852 39.854 38.000 0.003 0.000 1.358 186 I HN -0.094 nan 8.210 nan 0.000 0.467 187 G N 4.340 113.152 108.800 0.020 0.000 2.505 187 G HA2 -0.351 3.610 3.960 0.002 0.000 0.220 187 G HA3 -0.351 3.610 3.960 0.002 0.000 0.220 187 G C 1.689 176.608 174.900 0.033 0.000 1.145 187 G CA 1.177 46.288 45.100 0.017 0.000 0.761 187 G HN 0.723 nan 8.290 nan 0.000 0.571 188 A N 1.231 124.079 122.820 0.045 0.000 1.917 188 A HA -0.170 4.151 4.320 0.002 0.000 0.219 188 A C 2.219 179.852 177.584 0.082 0.000 1.182 188 A CA 2.075 54.144 52.037 0.053 0.000 0.633 188 A CB -0.472 18.562 19.000 0.057 0.000 0.819 188 A HN 0.389 nan 8.150 nan 0.000 0.448 189 N N -0.189 118.585 118.700 0.122 0.000 2.459 189 N HA -0.007 4.734 4.740 0.002 0.000 0.181 189 N C 1.396 177.100 175.510 0.322 0.000 1.046 189 N CA 0.899 54.105 53.050 0.261 0.000 0.904 189 N CB -0.334 38.328 38.487 0.292 0.000 0.964 189 N HN 0.578 nan 8.380 nan 0.000 0.444 190 L N 0.235 121.548 121.223 0.151 0.000 2.209 190 L HA 0.049 4.390 4.340 0.002 0.000 0.207 190 L C 2.332 179.234 176.870 0.053 0.000 1.094 190 L CA 0.544 55.461 54.840 0.129 0.000 0.790 190 L CB -0.253 41.815 42.059 0.015 0.000 0.932 190 L HN 0.044 nan 8.230 nan 0.000 0.447 191 K N 0.944 121.345 120.400 0.002 0.000 2.020 191 K HA -0.189 4.132 4.320 0.002 0.000 0.212 191 K C -0.450 176.071 176.600 -0.132 0.000 1.050 191 K CA 1.857 58.117 56.287 -0.045 0.000 0.929 191 K CB -0.833 31.647 32.500 -0.033 0.000 0.714 191 K HN 0.108 nan 8.250 nan 0.000 0.443 192 P HA -0.188 nan 4.420 nan 0.000 0.216 192 P C 0.841 177.833 177.300 -0.513 0.000 1.153 192 P CA 2.065 64.866 63.100 -0.498 0.000 0.858 192 P CB -0.052 31.077 31.700 -0.953 0.000 0.789 193 A N -0.621 121.923 122.820 -0.461 0.000 1.898 193 A HA -0.185 4.136 4.320 0.002 0.000 0.216 193 A C 2.392 179.955 177.584 -0.034 0.000 1.181 193 A CA 1.386 53.342 52.037 -0.134 0.000 0.620 193 A CB -1.093 18.032 19.000 0.209 0.000 0.819 193 A HN -0.001 nan 8.150 nan 0.000 0.442 194 R N -0.323 120.164 120.500 -0.021 0.000 2.081 194 R HA -0.146 4.195 4.340 0.002 0.000 0.235 194 R C 1.363 177.647 176.300 -0.027 0.000 1.131 194 R CA 1.634 57.731 56.100 -0.004 0.000 0.960 194 R CB -0.287 30.013 30.300 -0.001 0.000 0.856 194 R HN 0.474 nan 8.270 nan 0.000 0.436 195 D N 0.443 120.807 120.400 -0.060 0.000 2.182 195 D HA -0.167 4.474 4.640 0.002 0.000 0.201 195 D C 1.657 177.931 176.300 -0.043 0.000 0.986 195 D CA 0.776 54.744 54.000 -0.054 0.000 0.847 195 D CB 0.010 40.766 40.800 -0.072 0.000 0.942 195 D HN 0.188 nan 8.370 nan 0.000 0.467 196 L N -0.460 120.732 121.223 -0.052 0.000 2.465 196 L HA 0.041 4.382 4.340 0.002 0.000 0.224 196 L C 1.741 178.605 176.870 -0.010 0.000 1.145 196 L CA 1.304 56.128 54.840 -0.028 0.000 0.834 196 L CB -0.819 41.227 42.059 -0.021 0.000 0.944 196 L HN 0.223 nan 8.230 nan 0.000 0.451 197 G N -0.174 108.622 108.800 -0.006 0.000 2.179 197 G HA2 -0.252 3.709 3.960 0.002 0.000 0.220 197 G HA3 -0.252 3.709 3.960 0.002 0.000 0.220 197 G C 0.493 175.405 174.900 0.020 0.000 0.990 197 G CA 0.318 45.421 45.100 0.006 0.000 0.646 197 G HN 0.389 nan 8.290 nan 0.000 0.517 198 M N 0.644 120.263 119.600 0.032 0.000 2.255 198 M HA 0.745 5.226 4.480 0.002 0.000 0.336 198 M C 0.612 176.953 176.300 0.069 0.000 1.135 198 M CA -0.762 54.571 55.300 0.055 0.000 1.145 198 M CB 1.193 33.837 32.600 0.073 0.000 1.473 198 M HN -0.065 nan 8.290 nan 0.000 0.462 199 V N 1.435 121.393 119.914 0.073 0.000 2.740 199 V HA 0.217 4.338 4.120 0.002 0.000 0.303 199 V C 0.510 176.652 176.094 0.080 0.000 1.054 199 V CA 0.137 62.476 62.300 0.064 0.000 1.106 199 V CB 0.915 32.775 31.823 0.061 0.000 0.957 199 V HN 0.978 nan 8.190 nan 0.000 0.486 200 T N 4.900 119.482 114.554 0.046 0.000 2.909 200 T HA 0.701 5.053 4.350 0.002 0.000 0.299 200 T C -1.047 173.630 174.700 -0.038 0.000 1.073 200 T CA -0.427 61.686 62.100 0.021 0.000 0.999 200 T CB 1.031 69.926 68.868 0.045 0.000 1.098 200 T HN 0.450 nan 8.240 nan 0.000 0.477 201 I N 4.118 124.625 120.570 -0.106 0.000 2.478 201 I HA 0.401 4.572 4.170 0.002 0.000 0.287 201 I C -0.434 175.606 176.117 -0.128 0.000 1.042 201 I CA -0.840 60.400 61.300 -0.099 0.000 1.067 201 I CB 1.954 39.895 38.000 -0.098 0.000 1.233 201 I HN 0.433 nan 8.210 nan 0.000 0.431 202 L N 7.625 128.801 121.223 -0.080 0.000 2.325 202 L HA 0.342 4.683 4.340 0.002 0.000 0.284 202 L C -0.613 176.224 176.870 -0.054 0.000 1.089 202 L CA -0.356 54.442 54.840 -0.070 0.000 0.836 202 L CB 0.858 42.896 42.059 -0.035 0.000 1.184 202 L HN 0.342 nan 8.230 nan 0.000 0.444 203 V N 6.701 126.578 119.914 -0.061 0.000 2.320 203 V HA 0.170 4.291 4.120 0.002 0.000 0.265 203 V C 0.544 176.636 176.094 -0.005 0.000 1.048 203 V CA -0.121 62.162 62.300 -0.030 0.000 0.865 203 V CB 1.096 32.902 31.823 -0.028 0.000 1.043 203 V HN 0.899 nan 8.190 nan 0.000 0.474 204 Q N 2.671 122.473 119.800 0.003 0.000 2.225 204 Q HA 0.129 4.471 4.340 0.002 0.000 0.193 204 Q C 0.110 176.119 176.000 0.016 0.000 0.990 204 Q CA 0.580 56.391 55.803 0.013 0.000 0.841 204 Q CB 0.391 29.136 28.738 0.011 0.000 0.941 204 Q HN 0.983 nan 8.270 nan 0.000 0.516 205 D N -0.985 119.423 120.400 0.014 0.000 2.168 205 D HA 0.167 4.808 4.640 0.002 0.000 0.246 205 D C 0.196 176.508 176.300 0.019 0.000 1.050 205 D CA -0.366 53.644 54.000 0.016 0.000 0.857 205 D CB 1.737 42.544 40.800 0.013 0.000 1.169 205 D HN -0.148 nan 8.370 nan 0.000 0.453 206 T N 0.929 115.498 114.554 0.024 0.000 2.635 206 T HA -0.213 4.139 4.350 0.002 0.000 0.267 206 T C 1.109 175.825 174.700 0.027 0.000 1.040 206 T CA 1.522 63.641 62.100 0.032 0.000 1.156 206 T CB -0.360 68.527 68.868 0.033 0.000 0.863 206 T HN 0.530 nan 8.240 nan 0.000 0.430 207 D N 0.841 121.252 120.400 0.019 0.000 2.106 207 D HA -0.108 4.533 4.640 0.002 0.000 0.191 207 D C 2.306 178.614 176.300 0.013 0.000 0.997 207 D CA 1.655 55.663 54.000 0.015 0.000 0.834 207 D CB -0.454 40.352 40.800 0.010 0.000 0.956 207 D HN 0.356 nan 8.370 nan 0.000 0.448 208 T N 1.285 115.846 114.554 0.012 0.000 2.684 208 T HA -0.147 4.204 4.350 0.002 0.000 0.267 208 T C 2.100 176.805 174.700 0.008 0.000 1.036 208 T CA 1.600 63.705 62.100 0.008 0.000 1.148 208 T CB -0.338 68.534 68.868 0.007 0.000 0.863 208 T HN 0.216 nan 8.240 nan 0.000 0.436 209 A N 1.352 124.179 122.820 0.011 0.000 1.908 209 A HA -0.026 4.295 4.320 0.002 0.000 0.218 209 A C 2.306 179.901 177.584 0.018 0.000 1.181 209 A CA 1.321 53.364 52.037 0.010 0.000 0.627 209 A CB -0.885 18.127 19.000 0.019 0.000 0.818 209 A HN 0.503 nan 8.150 nan 0.000 0.445 210 L N -1.072 120.169 121.223 0.030 0.000 2.201 210 L HA -0.154 4.188 4.340 0.002 0.000 0.212 210 L C 2.486 179.365 176.870 0.015 0.000 1.105 210 L CA 1.328 56.188 54.840 0.033 0.000 0.775 210 L CB -0.424 41.655 42.059 0.033 0.000 0.913 210 L HN 0.382 nan 8.230 nan 0.000 0.440 211 K N 0.199 120.605 120.400 0.010 0.000 2.057 211 K HA -0.148 4.174 4.320 0.002 0.000 0.206 211 K C 1.972 178.575 176.600 0.004 0.000 1.050 211 K CA 1.214 57.505 56.287 0.006 0.000 0.935 211 K CB -0.023 32.481 32.500 0.006 0.000 0.715 211 K HN 0.359 nan 8.250 nan 0.000 0.439 212 E N 0.806 121.008 120.200 0.003 0.000 2.047 212 E HA -0.193 4.158 4.350 0.002 0.000 0.191 212 E C 2.010 178.609 176.600 -0.001 0.000 0.987 212 E CA 0.801 57.201 56.400 0.000 0.000 0.799 212 E CB -0.074 29.622 29.700 -0.006 0.000 0.752 212 E HN 0.081 nan 8.360 nan 0.000 0.449 213 L N 1.711 122.932 121.223 -0.004 0.000 2.046 213 L HA -0.193 4.148 4.340 0.002 0.000 0.208 213 L C 2.246 179.109 176.870 -0.013 0.000 1.077 213 L CA 1.866 56.700 54.840 -0.010 0.000 0.747 213 L CB -0.325 41.735 42.059 0.001 0.000 0.896 213 L HN 0.080 nan 8.230 nan 0.000 0.432 214 E N -0.912 119.284 120.200 -0.007 0.000 2.051 214 E HA -0.234 4.117 4.350 0.002 0.000 0.192 214 E C 2.030 178.629 176.600 -0.000 0.000 0.991 214 E CA 0.998 57.392 56.400 -0.011 0.000 0.799 214 E CB 0.065 29.761 29.700 -0.005 0.000 0.748 214 E HN 0.296 nan 8.360 nan 0.000 0.449 215 K N 0.459 120.862 120.400 0.006 0.000 2.009 215 K HA -0.119 4.203 4.320 0.002 0.000 0.210 215 K C 2.178 178.791 176.600 0.022 0.000 1.049 215 K CA 1.016 57.311 56.287 0.013 0.000 0.929 215 K CB -0.944 31.563 32.500 0.011 0.000 0.714 215 K HN 0.159 nan 8.250 nan 0.000 0.440 216 V N 1.934 121.862 119.914 0.023 0.000 2.626 216 V HA -0.178 3.943 4.120 0.002 0.000 0.252 216 V C 2.115 178.249 176.094 0.066 0.000 1.067 216 V CA 2.504 64.828 62.300 0.040 0.000 1.081 216 V CB -0.454 31.391 31.823 0.037 0.000 0.686 216 V HN 0.622 nan 8.190 nan 0.000 0.468 217 T N -3.578 111.007 114.554 0.053 0.000 3.014 217 T HA 0.262 4.613 4.350 0.002 0.000 0.250 217 T C 1.472 176.222 174.700 0.083 0.000 1.060 217 T CA 0.798 62.953 62.100 0.092 0.000 1.040 217 T CB 0.370 69.216 68.868 -0.037 0.000 0.971 217 T HN 1.329 nan 8.240 nan 0.000 0.497 218 G N 1.536 110.363 108.800 0.045 0.000 2.272 218 G HA2 -0.179 3.782 3.960 0.002 0.000 0.280 218 G HA3 -0.179 3.782 3.960 0.002 0.000 0.280 218 G C -0.162 174.757 174.900 0.031 0.000 1.067 218 G CA 0.345 45.469 45.100 0.041 0.000 0.902 218 G HN 0.696 nan 8.290 nan 0.000 0.500 219 I N -0.626 119.946 120.570 0.003 0.000 2.619 219 I HA 0.241 4.412 4.170 0.002 0.000 0.292 219 I C 0.189 176.293 176.117 -0.022 0.000 1.100 219 I CA -0.994 60.298 61.300 -0.013 0.000 1.043 219 I CB 1.852 39.821 38.000 -0.051 0.000 1.239 219 I HN -0.042 nan 8.210 nan 0.000 0.420 220 Q N 6.147 125.938 119.800 -0.015 0.000 2.262 220 Q HA 0.237 4.578 4.340 0.002 0.000 0.272 220 Q C -0.682 175.302 176.000 -0.026 0.000 1.076 220 Q CA 0.463 56.257 55.803 -0.016 0.000 0.905 220 Q CB 0.743 29.474 28.738 -0.011 0.000 1.182 220 Q HN 0.480 nan 8.270 nan 0.000 0.390 221 L N 3.073 124.282 121.223 -0.024 0.000 2.784 221 L HA 0.335 4.676 4.340 0.002 0.000 0.241 221 L C -0.078 176.781 176.870 -0.018 0.000 1.352 221 L CA -0.299 54.524 54.840 -0.027 0.000 0.911 221 L CB 0.747 42.793 42.059 -0.022 0.000 1.227 221 L HN 0.612 nan 8.230 nan 0.000 0.501 222 T N -0.688 113.857 114.554 -0.016 0.000 3.053 222 T HA 0.042 4.393 4.350 0.002 0.000 0.322 222 T C -2.614 172.073 174.700 -0.022 0.000 1.739 222 T CA -1.144 60.944 62.100 -0.020 0.000 1.005 222 T CB 0.122 68.975 68.868 -0.025 0.000 2.023 222 T HN 0.276 nan 8.240 nan 0.000 0.543 223 P HA 0.552 nan 4.420 nan 0.000 0.269 223 P C -0.820 176.460 177.300 -0.033 0.000 1.217 223 P CA -0.292 62.793 63.100 -0.025 0.000 0.783 223 P CB 0.196 31.881 31.700 -0.025 0.000 0.898 224 A N 3.375 126.174 122.820 -0.034 0.000 2.522 224 A HA 0.311 4.633 4.320 0.002 0.000 0.256 224 A C -1.429 176.124 177.584 -0.051 0.000 1.086 224 A CA -0.746 51.267 52.037 -0.041 0.000 0.763 224 A CB -1.098 17.879 19.000 -0.039 0.000 1.024 224 A HN 0.477 nan 8.150 nan 0.000 0.502 225 P HA 0.334 nan 4.420 nan 0.000 0.276 225 P C -0.423 176.833 177.300 -0.074 0.000 1.252 225 P CA -0.516 62.548 63.100 -0.061 0.000 0.802 225 P CB 0.657 32.320 31.700 -0.063 0.000 1.035 226 L N 2.198 123.374 121.223 -0.079 0.000 2.426 226 L HA 0.214 4.555 4.340 0.002 0.000 0.271 226 L C -1.293 175.545 176.870 -0.053 0.000 1.169 226 L CA -1.697 53.067 54.840 -0.127 0.000 0.836 226 L CB -0.050 41.923 42.059 -0.144 0.000 1.112 226 L HN 0.391 nan 8.230 nan 0.000 0.465 227 P HA 0.002 nan 4.420 nan 0.000 0.271 227 P C -0.479 176.919 177.300 0.164 0.000 1.238 227 P CA -0.403 62.726 63.100 0.049 0.000 0.794 227 P CB 0.131 31.864 31.700 0.055 0.000 0.959 228 T N 0.699 115.340 114.554 0.144 0.000 2.908 228 T HA 0.136 4.487 4.350 0.002 0.000 0.301 228 T C 0.577 175.363 174.700 0.144 0.000 1.019 228 T CA 0.474 62.666 62.100 0.155 0.000 1.152 228 T CB -0.277 68.702 68.868 0.186 0.000 0.966 228 T HN 0.409 nan 8.240 nan 0.000 0.540 229 S N 2.380 118.116 115.700 0.060 0.000 2.498 229 S HA 0.440 4.911 4.470 0.002 0.000 0.317 229 S C 0.491 175.046 174.600 -0.076 0.000 1.090 229 S CA -1.163 56.947 58.200 -0.151 0.000 1.089 229 S CB -0.116 62.866 63.200 -0.363 0.000 0.997 229 S HN 0.932 nan 8.310 nan 0.000 0.470 230 C N 4.292 123.563 119.300 -0.048 0.000 2.657 230 C HA 0.538 4.999 4.460 0.002 0.000 0.404 230 C C 0.617 175.663 174.990 0.093 0.000 1.291 230 C CA -1.187 57.857 59.018 0.044 0.000 2.218 230 C CB -0.519 27.281 27.740 0.100 0.000 2.687 230 C HN 0.879 nan 8.230 nan 0.000 0.634 231 N N 2.133 120.886 118.700 0.087 0.000 2.422 231 N HA 0.280 5.021 4.740 0.002 0.000 0.266 231 N C -1.645 173.947 175.510 0.136 0.000 1.007 231 N CA -1.816 51.283 53.050 0.082 0.000 0.941 231 N CB 1.464 39.978 38.487 0.045 0.000 1.115 231 N HN 0.358 nan 8.380 nan 0.000 0.492 232 P HA -0.207 nan 4.420 nan 0.000 0.217 232 P C 1.201 178.676 177.300 0.291 0.000 1.158 232 P CA 1.926 65.213 63.100 0.312 0.000 0.887 232 P CB 0.108 31.917 31.700 0.183 0.000 0.792 233 S N -2.118 113.682 115.700 0.167 0.000 2.507 233 S HA -0.100 4.372 4.470 0.002 0.000 0.235 233 S C 1.303 175.963 174.600 0.100 0.000 0.988 233 S CA 1.045 59.319 58.200 0.122 0.000 0.944 233 S CB -0.834 62.406 63.200 0.066 0.000 0.762 233 S HN 0.122 nan 8.310 nan 0.000 0.526 234 D N 0.648 121.099 120.400 0.085 0.000 2.369 234 D HA 0.215 4.856 4.640 0.002 0.000 0.211 234 D C 0.176 176.483 176.300 0.012 0.000 1.077 234 D CA 0.211 54.235 54.000 0.040 0.000 0.842 234 D CB 0.168 40.980 40.800 0.020 0.000 0.947 234 D HN 0.394 nan 8.370 nan 0.000 0.509 235 M N 0.335 119.938 119.600 0.004 0.000 2.291 235 M HA 0.162 4.643 4.480 0.002 0.000 0.324 235 M C 0.678 176.865 176.300 -0.189 0.000 1.148 235 M CA -0.589 54.609 55.300 -0.170 0.000 1.104 235 M CB 0.975 33.316 32.600 -0.431 0.000 1.483 235 M HN -0.304 nan 8.290 nan 0.000 0.467 236 S N 1.589 117.128 115.700 -0.268 0.000 2.523 236 S HA 0.232 4.703 4.470 0.002 0.000 0.275 236 S C -0.665 173.649 174.600 -0.477 0.000 1.281 236 S CA -0.403 57.666 58.200 -0.218 0.000 1.050 236 S CB 0.078 63.174 63.200 -0.173 0.000 0.937 236 S HN 0.538 nan 8.310 nan 0.000 0.492 237 H N 2.918 121.839 119.070 -0.247 0.000 2.476 237 H HA 0.462 5.019 4.556 0.002 0.000 0.328 237 H C 0.515 175.562 175.328 -0.468 0.000 1.073 237 H CA -0.428 55.403 56.048 -0.362 0.000 1.229 237 H CB 1.429 31.189 29.762 -0.002 0.000 1.432 237 H HN 0.788 nan 8.280 nan 0.000 0.477 238 G N 2.378 110.524 108.800 -1.089 0.000 2.420 238 G HA2 0.474 4.435 3.960 0.002 0.000 0.331 238 G HA3 0.474 4.435 3.960 0.002 0.000 0.331 238 G C -1.657 172.726 174.900 -0.862 0.000 1.168 238 G CA -0.405 44.062 45.100 -1.056 0.000 0.936 238 G HN 0.416 nan 8.290 nan 0.000 0.479 239 Y N 0.021 120.351 120.300 0.051 0.000 2.386 239 Y HA 0.525 5.076 4.550 0.002 0.000 0.334 239 Y C -0.326 175.740 175.900 0.276 0.000 1.002 239 Y CA -0.980 57.258 58.100 0.231 0.000 1.068 239 Y CB 2.675 41.226 38.460 0.152 0.000 1.203 239 Y HN 0.382 nan 8.280 nan 0.000 0.443 240 V N 2.358 122.551 119.914 0.464 0.000 2.577 240 V HA 0.422 4.543 4.120 0.002 0.000 0.303 240 V C -0.353 175.902 176.094 0.268 0.000 1.042 240 V CA -0.879 61.616 62.300 0.326 0.000 0.872 240 V CB 2.068 34.081 31.823 0.316 0.000 0.998 240 V HN 0.821 nan 8.190 nan 0.000 0.423 241 T N 3.909 118.570 114.554 0.179 0.000 2.729 241 T HA 0.256 4.607 4.350 0.002 0.000 0.296 241 T C 1.007 175.771 174.700 0.107 0.000 0.928 241 T CA -0.073 62.107 62.100 0.132 0.000 1.045 241 T CB 1.221 70.144 68.868 0.092 0.000 0.902 241 T HN 0.739 nan 8.240 nan 0.000 0.500 242 V N 0.905 120.881 119.914 0.103 0.000 3.644 242 V HA 0.497 4.618 4.120 0.002 0.000 0.267 242 V C 0.442 176.556 176.094 0.032 0.000 1.277 242 V CA 0.455 62.800 62.300 0.075 0.000 1.096 242 V CB -0.441 31.434 31.823 0.088 0.000 0.828 242 V HN 0.643 nan 8.190 nan 0.000 0.446 243 K N -0.586 119.831 120.400 0.027 0.000 2.587 243 K HA 0.427 4.749 4.320 0.002 0.000 0.276 243 K C -2.552 174.055 176.600 0.012 0.000 0.956 243 K CA -1.433 54.857 56.287 0.005 0.000 0.857 243 K CB 2.447 34.935 32.500 -0.020 0.000 1.431 243 K HN -0.313 nan 8.250 nan 0.000 0.420 244 P HA -0.205 nan 4.420 nan 0.000 0.217 244 P C 0.256 177.562 177.300 0.009 0.000 1.158 244 P CA 1.567 64.671 63.100 0.007 0.000 0.887 244 P CB 0.231 31.931 31.700 0.001 0.000 0.792 245 R N -1.514 118.986 120.500 0.001 0.000 2.393 245 R HA 0.217 4.558 4.340 0.002 0.000 0.244 245 R C -0.469 175.836 176.300 0.008 0.000 0.920 245 R CA -0.004 56.099 56.100 0.004 0.000 1.076 245 R CB 0.543 30.840 30.300 -0.005 0.000 1.119 245 R HN 0.074 nan 8.270 nan 0.000 0.524 246 V N 1.429 121.350 119.914 0.012 0.000 2.376 246 V HA 0.357 4.478 4.120 0.002 0.000 0.287 246 V C -0.336 175.799 176.094 0.069 0.000 1.015 246 V CA -0.842 61.471 62.300 0.022 0.000 0.834 246 V CB 1.877 33.686 31.823 -0.023 0.000 1.001 246 V HN 0.106 nan 8.190 nan 0.000 0.428 247 R N 4.595 125.160 120.500 0.108 0.000 2.494 247 R HA 0.741 5.082 4.340 0.002 0.000 0.305 247 R C -1.521 174.909 176.300 0.216 0.000 0.959 247 R CA -0.689 55.516 56.100 0.174 0.000 0.864 247 R CB 1.530 31.945 30.300 0.191 0.000 1.159 247 R HN 0.670 nan 8.270 nan 0.000 0.446 248 L N 4.026 125.403 121.223 0.256 0.000 2.307 248 L HA 0.412 4.753 4.340 0.002 0.000 0.284 248 L C 0.027 177.092 176.870 0.324 0.000 1.023 248 L CA -0.828 54.152 54.840 0.235 0.000 0.810 248 L CB 1.552 43.659 42.059 0.080 0.000 1.231 248 L HN 0.563 nan 8.230 nan 0.000 0.423 249 H N 4.138 123.298 119.070 0.150 0.000 2.499 249 H HA 0.588 5.146 4.556 0.002 0.000 0.340 249 H C -1.557 173.807 175.328 0.060 0.000 1.148 249 H CA -0.510 55.499 56.048 -0.064 0.000 1.215 249 H CB 1.894 31.578 29.762 -0.129 0.000 1.529 249 H HN 0.490 nan 8.280 nan 0.000 0.510 250 F N 1.646 120.948 119.950 -1.080 0.000 2.668 250 F HA 0.523 5.051 4.527 0.002 0.000 0.309 250 F C -2.184 173.021 175.800 -0.992 0.000 1.117 250 F CA -1.061 56.446 58.000 -0.823 0.000 0.951 250 F CB 0.499 39.321 39.000 -0.297 0.000 1.323 250 F HN 0.177 nan 8.300 nan 0.000 0.451 251 V N 1.344 120.771 119.914 -0.812 0.000 2.483 251 V HA 0.533 4.655 4.120 0.002 0.000 0.295 251 V C -0.791 175.077 176.094 -0.377 0.000 1.035 251 V CA -0.519 61.231 62.300 -0.917 0.000 0.896 251 V CB 1.555 32.650 31.823 -1.214 0.000 0.986 251 V HN 0.880 nan 8.190 nan 0.000 0.447 252 E N 3.563 123.562 120.200 -0.334 0.000 2.248 252 E HA 0.726 5.077 4.350 0.002 0.000 0.267 252 E C -1.966 174.572 176.600 -0.102 0.000 0.877 252 E CA -0.687 55.663 56.400 -0.083 0.000 0.759 252 E CB 2.215 31.943 29.700 0.046 0.000 1.182 252 E HN 0.503 nan 8.360 nan 0.000 0.418 253 L N 3.591 124.785 121.223 -0.048 0.000 2.513 253 L HA 0.734 5.075 4.340 0.002 0.000 0.261 253 L C -0.545 176.319 176.870 -0.010 0.000 0.945 253 L CA 0.750 55.567 54.840 -0.038 0.000 0.848 253 L CB 1.961 43.998 42.059 -0.036 0.000 1.334 253 L HN 0.732 nan 8.230 nan 0.000 0.407 254 G N 2.416 111.210 108.800 -0.010 0.000 2.712 254 G HA2 0.293 4.254 3.960 0.002 0.000 0.683 254 G HA3 0.293 4.254 3.960 0.002 0.000 0.683 254 G C -0.940 173.953 174.900 -0.011 0.000 1.320 254 G CA -0.306 44.792 45.100 -0.002 0.000 0.847 254 G HN 1.569 nan 8.290 nan 0.000 0.553 255 S N -0.664 115.022 115.700 -0.024 0.000 2.632 255 S HA 1.123 5.594 4.470 0.002 0.000 0.289 255 S C 0.564 175.123 174.600 -0.070 0.000 1.115 255 S CA 0.469 58.645 58.200 -0.039 0.000 0.889 255 S CB 1.926 65.101 63.200 -0.041 0.000 1.116 255 S HN 3.095 nan 8.310 nan 0.000 0.486 256 G N 0.466 109.220 108.800 -0.077 0.000 2.362 256 G HA2 0.175 4.136 3.960 0.002 0.000 0.517 256 G HA3 0.175 4.136 3.960 0.002 0.000 0.517 256 G C -3.446 171.413 174.900 -0.068 0.000 1.256 256 G CA -0.835 44.189 45.100 -0.127 0.000 1.027 256 G HN 0.784 nan 8.290 nan 0.000 0.491 257 P HA 0.436 nan 4.420 nan 0.000 0.265 257 P C 0.244 177.588 177.300 0.073 0.000 1.187 257 P CA 0.834 63.958 63.100 0.040 0.000 0.766 257 P CB 0.618 32.393 31.700 0.126 0.000 0.820 258 A N 3.075 125.899 122.820 0.007 0.000 2.450 258 A HA 0.380 4.701 4.320 0.002 0.000 0.255 258 A C -0.284 177.255 177.584 -0.075 0.000 1.096 258 A CA -0.052 51.959 52.037 -0.043 0.000 0.778 258 A CB -0.058 18.888 19.000 -0.091 0.000 1.031 258 A HN 0.378 nan 8.150 nan 0.000 0.494 259 V N 3.138 122.986 119.914 -0.109 0.000 2.380 259 V HA 0.210 4.331 4.120 0.002 0.000 0.286 259 V C -0.266 175.655 176.094 -0.287 0.000 1.015 259 V CA -0.663 61.526 62.300 -0.185 0.000 0.834 259 V CB 1.097 32.830 31.823 -0.151 0.000 1.009 259 V HN 1.004 nan 8.190 nan 0.000 0.428 260 C N 7.592 126.620 119.300 -0.453 0.000 2.303 260 C HA 0.583 5.044 4.460 0.002 0.000 0.341 260 C C 0.139 174.840 174.990 -0.483 0.000 1.244 260 C CA -0.579 58.124 59.018 -0.524 0.000 1.765 260 C CB -1.102 26.097 27.740 -0.902 0.000 2.379 260 C HN 0.799 nan 8.230 nan 0.000 0.530 261 L N 6.364 127.287 121.223 -0.499 0.000 2.276 261 L HA 0.408 4.749 4.340 0.002 0.000 0.286 261 L C -0.197 176.448 176.870 -0.376 0.000 1.061 261 L CA -0.217 54.142 54.840 -0.801 0.000 0.807 261 L CB 0.719 41.887 42.059 -1.486 0.000 1.177 261 L HN 0.637 nan 8.230 nan 0.000 0.429 262 C N 2.555 121.802 119.300 -0.088 0.000 2.335 262 C HA 0.364 4.825 4.460 0.002 0.000 0.318 262 C C 0.357 175.636 174.990 0.482 0.000 1.150 262 C CA -1.060 58.067 59.018 0.181 0.000 1.466 262 C CB -0.723 27.117 27.740 0.167 0.000 2.024 262 C HN 0.824 nan 8.230 nan 0.000 0.429 263 H N 0.782 120.225 119.070 0.621 0.000 2.703 263 H HA 0.587 5.145 4.556 0.002 0.000 0.377 263 H C 0.633 176.080 175.328 0.198 0.000 1.392 263 H CA 0.456 56.755 56.048 0.419 0.000 1.458 263 H CB 0.399 30.297 29.762 0.227 0.000 1.529 263 H HN 0.577 nan 8.280 nan 0.000 0.619 264 G N -0.676 108.410 108.800 0.477 0.000 2.857 264 G HA2 0.360 4.321 3.960 0.002 0.000 0.217 264 G HA3 0.360 4.321 3.960 0.002 0.000 0.217 264 G C -1.405 173.789 174.900 0.491 0.000 1.357 264 G CA -0.838 44.510 45.100 0.414 0.000 1.033 264 G HN 0.631 nan 8.290 nan 0.000 0.571 265 F N 1.936 122.200 119.950 0.522 0.000 2.436 265 F HA 0.649 5.177 4.527 0.002 0.000 0.340 265 F C -2.116 174.187 175.800 0.838 0.000 1.113 265 F CA -2.903 55.499 58.000 0.670 0.000 1.022 265 F CB 2.517 41.955 39.000 0.729 0.000 1.128 265 F HN 0.089 nan 8.300 nan 0.000 0.466 266 P HA 0.291 nan 4.420 nan 0.000 0.224 266 P C -1.379 176.204 177.300 0.471 0.000 1.784 266 P CA -0.155 62.872 63.100 -0.122 0.000 1.198 266 P CB 1.174 32.438 31.700 -0.727 0.000 1.654 267 E N 1.394 121.846 120.200 0.421 0.000 3.446 267 E HA 0.688 5.039 4.350 0.002 0.000 0.229 267 E C -0.084 176.387 176.600 -0.216 0.000 0.740 267 E CA -0.873 55.686 56.400 0.266 0.000 1.531 267 E CB 0.533 30.340 29.700 0.179 0.000 1.891 267 E HN 0.411 nan 8.360 nan 0.000 0.383 268 S N -0.943 114.335 115.700 -0.704 0.000 2.663 268 S HA -0.008 4.463 4.470 0.002 0.000 0.264 268 S C -0.194 174.264 174.600 -0.237 0.000 1.112 268 S CA -0.464 57.295 58.200 -0.736 0.000 0.823 268 S CB -0.389 62.661 63.200 -0.249 0.000 1.111 268 S HN 0.847 nan 8.310 nan 0.000 0.476 269 W N 0.676 122.078 121.300 0.171 0.000 2.350 269 W HA -0.153 4.508 4.660 0.002 0.000 0.289 269 W C 1.120 177.803 176.519 0.273 0.000 1.215 269 W CA 1.487 59.036 57.345 0.340 0.000 1.236 269 W CB -0.985 28.628 29.460 0.255 0.000 1.130 269 W HN 0.785 nan 8.180 nan 0.000 0.541 270 Y N 2.791 122.397 120.300 -1.158 0.000 2.574 270 Y HA -0.095 4.456 4.550 0.002 0.000 0.294 270 Y C 2.504 178.032 175.900 -0.620 0.000 1.142 270 Y CA 1.466 58.736 58.100 -1.382 0.000 1.314 270 Y CB -0.606 36.817 38.460 -1.728 0.000 0.991 270 Y HN -0.110 nan 8.280 nan 0.000 0.555 271 S N -1.325 114.165 115.700 -0.349 0.000 2.515 271 S HA -0.133 4.338 4.470 0.002 0.000 0.231 271 S C 0.625 174.899 174.600 -0.542 0.000 0.987 271 S CA 0.817 58.759 58.200 -0.431 0.000 0.936 271 S CB -0.399 62.551 63.200 -0.416 0.000 0.766 271 S HN 0.654 nan 8.310 nan 0.000 0.528 272 W N 2.069 123.288 121.300 -0.135 0.000 3.239 272 W HA 0.262 4.923 4.660 0.002 0.000 0.368 272 W C 1.679 178.126 176.519 -0.120 0.000 1.154 272 W CA -0.916 56.392 57.345 -0.062 0.000 1.860 272 W CB -0.143 29.350 29.460 0.055 0.000 1.094 272 W HN 0.223 nan 8.180 nan 0.000 0.643 273 R N -0.574 119.789 120.500 -0.229 0.000 2.154 273 R HA -0.263 4.078 4.340 0.002 0.000 0.248 273 R C 0.968 177.090 176.300 -0.296 0.000 1.155 273 R CA 1.708 57.581 56.100 -0.380 0.000 0.979 273 R CB -1.171 28.526 30.300 -1.006 0.000 0.869 273 R HN 0.225 nan 8.270 nan 0.000 0.452 274 Y N 1.504 121.752 120.300 -0.087 0.000 2.420 274 Y HA 0.018 4.569 4.550 0.002 0.000 0.292 274 Y C 2.411 178.332 175.900 0.035 0.000 1.119 274 Y CA 0.806 58.880 58.100 -0.042 0.000 1.229 274 Y CB 0.084 38.495 38.460 -0.082 0.000 1.026 274 Y HN 0.179 nan 8.280 nan 0.000 0.554 275 Q N -0.390 119.552 119.800 0.236 0.000 2.396 275 Q HA 0.093 4.434 4.340 0.002 0.000 0.209 275 Q C 2.048 178.143 176.000 0.158 0.000 0.906 275 Q CA 0.582 56.512 55.803 0.212 0.000 0.927 275 Q CB -0.387 28.517 28.738 0.275 0.000 1.069 275 Q HN 0.496 nan 8.270 nan 0.000 0.523 276 I N 1.999 122.666 120.570 0.161 0.000 2.099 276 I HA -0.232 3.939 4.170 0.002 0.000 0.239 276 I C -0.580 175.587 176.117 0.084 0.000 1.066 276 I CA 1.563 62.931 61.300 0.112 0.000 1.324 276 I CB -1.468 36.616 38.000 0.140 0.000 1.037 276 I HN 0.128 nan 8.210 nan 0.000 0.401 277 P HA -0.132 nan 4.420 nan 0.000 0.216 277 P C 1.481 178.834 177.300 0.088 0.000 1.153 277 P CA 1.774 64.918 63.100 0.074 0.000 0.848 277 P CB -0.042 31.706 31.700 0.078 0.000 0.787 278 A N -0.106 122.776 122.820 0.104 0.000 1.851 278 A HA -0.200 4.121 4.320 0.002 0.000 0.216 278 A C 2.247 179.896 177.584 0.109 0.000 1.195 278 A CA 1.719 53.818 52.037 0.104 0.000 0.622 278 A CB -1.753 17.311 19.000 0.106 0.000 0.831 278 A HN 0.091 nan 8.150 nan 0.000 0.444 279 L N -0.983 120.302 121.223 0.104 0.000 2.083 279 L HA -0.202 4.139 4.340 0.002 0.000 0.209 279 L C 3.118 180.094 176.870 0.176 0.000 1.083 279 L CA 1.040 55.951 54.840 0.118 0.000 0.752 279 L CB -0.717 41.366 42.059 0.039 0.000 0.899 279 L HN 0.490 nan 8.230 nan 0.000 0.433 280 A N -0.346 122.543 122.820 0.114 0.000 1.877 280 A HA -0.288 4.034 4.320 0.002 0.000 0.216 280 A C 2.206 179.839 177.584 0.083 0.000 1.186 280 A CA 1.770 53.861 52.037 0.091 0.000 0.620 280 A CB -0.568 18.461 19.000 0.048 0.000 0.822 280 A HN 0.337 nan 8.150 nan 0.000 0.443 281 Q N -0.241 119.607 119.800 0.081 0.000 2.135 281 Q HA -0.072 4.270 4.340 0.002 0.000 0.204 281 Q C 1.868 177.915 176.000 0.078 0.000 0.981 281 Q CA 1.854 57.698 55.803 0.070 0.000 0.856 281 Q CB -0.609 28.176 28.738 0.079 0.000 0.902 281 Q HN 0.610 nan 8.270 nan 0.000 0.425 282 A N -1.350 121.550 122.820 0.133 0.000 2.235 282 A HA 0.372 4.693 4.320 0.002 0.000 0.208 282 A C 1.203 178.835 177.584 0.080 0.000 1.172 282 A CA 0.844 52.980 52.037 0.165 0.000 0.786 282 A CB -0.556 18.601 19.000 0.262 0.000 0.804 282 A HN 0.558 nan 8.150 nan 0.000 0.479 283 G N -2.483 106.305 108.800 -0.019 0.000 2.145 283 G HA2 -0.184 3.777 3.960 0.002 0.000 0.176 283 G HA3 -0.184 3.777 3.960 0.002 0.000 0.176 283 G C -0.327 174.230 174.900 -0.572 0.000 1.013 283 G CA -0.011 44.920 45.100 -0.281 0.000 0.689 283 G HN 0.410 nan 8.290 nan 0.000 0.506 284 Y N -1.099 119.187 120.300 -0.022 0.000 2.602 284 Y HA 0.732 5.283 4.550 0.002 0.000 0.342 284 Y C 0.609 176.485 175.900 -0.039 0.000 1.029 284 Y CA -1.272 56.806 58.100 -0.036 0.000 1.080 284 Y CB 1.395 39.832 38.460 -0.038 0.000 1.284 284 Y HN 0.115 nan 8.280 nan 0.000 0.485 285 R N 1.873 122.432 120.500 0.098 0.000 2.233 285 R HA 0.560 4.901 4.340 0.002 0.000 0.334 285 R C -1.850 174.460 176.300 0.017 0.000 1.037 285 R CA -0.324 55.794 56.100 0.030 0.000 0.920 285 R CB 0.233 30.530 30.300 -0.004 0.000 1.137 285 R HN 0.565 nan 8.270 nan 0.000 0.492 286 V N 6.718 126.638 119.914 0.010 0.000 2.498 286 V HA 0.231 4.352 4.120 0.002 0.000 0.279 286 V C 0.264 176.337 176.094 -0.035 0.000 1.048 286 V CA -0.371 61.910 62.300 -0.032 0.000 0.967 286 V CB 1.372 33.182 31.823 -0.022 0.000 0.988 286 V HN 0.652 nan 8.190 nan 0.000 0.473 287 L N 5.053 126.228 121.223 -0.081 0.000 2.384 287 L HA 0.601 4.942 4.340 0.002 0.000 0.261 287 L C 0.302 177.128 176.870 -0.074 0.000 1.024 287 L CA -0.468 54.361 54.840 -0.018 0.000 0.899 287 L CB 1.284 43.271 42.059 -0.120 0.000 1.243 287 L HN 0.688 nan 8.230 nan 0.000 0.449 288 A N 5.015 127.827 122.820 -0.014 0.000 2.310 288 A HA 0.622 4.943 4.320 0.002 0.000 0.300 288 A C 0.412 178.073 177.584 0.127 0.000 1.269 288 A CA -0.468 51.587 52.037 0.030 0.000 0.909 288 A CB 0.275 19.405 19.000 0.217 0.000 1.144 288 A HN 0.555 nan 8.150 nan 0.000 0.540 289 M N 1.259 120.921 119.600 0.103 0.000 2.202 289 M HA 0.243 4.724 4.480 0.002 0.000 0.316 289 M C -0.491 176.043 176.300 0.390 0.000 1.138 289 M CA -0.157 55.215 55.300 0.119 0.000 1.151 289 M CB 0.195 32.767 32.600 -0.046 0.000 1.422 289 M HN 0.491 nan 8.290 nan 0.000 0.471 290 D N 2.132 122.748 120.400 0.359 0.000 2.441 290 D HA 0.358 4.999 4.640 0.002 0.000 0.231 290 D C -0.369 176.179 176.300 0.413 0.000 1.073 290 D CA -0.278 54.059 54.000 0.561 0.000 0.850 290 D CB 0.860 42.019 40.800 0.598 0.000 1.062 290 D HN 0.277 nan 8.370 nan 0.000 0.524 291 M N 1.083 120.912 119.600 0.382 0.000 2.248 291 M HA 0.089 4.570 4.480 0.002 0.000 0.337 291 M C 0.798 177.434 176.300 0.561 0.000 1.121 291 M CA -0.123 55.332 55.300 0.258 0.000 1.155 291 M CB 0.103 32.671 32.600 -0.053 0.000 1.514 291 M HN 0.189 nan 8.290 nan 0.000 0.452 292 K N 0.828 121.518 120.400 0.483 0.000 2.511 292 K HA 0.044 4.365 4.320 0.002 0.000 0.277 292 K C 0.906 177.953 176.600 0.744 0.000 1.025 292 K CA 1.334 57.877 56.287 0.428 0.000 1.112 292 K CB -0.093 32.494 32.500 0.145 0.000 0.859 292 K HN 0.920 nan 8.250 nan 0.000 0.485 293 G N 2.729 111.844 108.800 0.525 0.000 2.179 293 G HA2 -0.245 3.716 3.960 0.002 0.000 0.220 293 G HA3 -0.245 3.716 3.960 0.002 0.000 0.220 293 G C -0.813 174.052 174.900 -0.059 0.000 0.990 293 G CA 0.057 45.375 45.100 0.363 0.000 0.646 293 G HN 0.578 nan 8.290 nan 0.000 0.517 294 Y N -0.377 120.006 120.300 0.139 0.000 2.570 294 Y HA 0.578 5.129 4.550 0.002 0.000 0.345 294 Y C 1.439 177.314 175.900 -0.043 0.000 1.014 294 Y CA 0.153 58.214 58.100 -0.064 0.000 1.063 294 Y CB 1.270 39.774 38.460 0.074 0.000 1.272 294 Y HN 0.949 nan 8.280 nan 0.000 0.477 295 G N 1.245 110.017 108.800 -0.048 0.000 2.684 295 G HA2 -0.372 3.589 3.960 0.002 0.000 0.332 295 G HA3 -0.372 3.589 3.960 0.002 0.000 0.332 295 G C 0.660 175.571 174.900 0.017 0.000 1.306 295 G CA 1.042 46.132 45.100 -0.017 0.000 1.002 295 G HN 0.786 nan 8.290 nan 0.000 0.545 296 E N 0.812 121.043 120.200 0.052 0.000 2.476 296 E HA 0.279 4.630 4.350 0.002 0.000 0.191 296 E C 0.720 177.433 176.600 0.189 0.000 1.064 296 E CA 0.257 56.668 56.400 0.017 0.000 0.866 296 E CB 0.200 29.744 29.700 -0.259 0.000 0.952 296 E HN 0.215 nan 8.360 nan 0.000 0.492 297 S N 0.837 116.681 115.700 0.240 0.000 2.610 297 S HA 0.222 4.694 4.470 0.002 0.000 0.273 297 S C 0.233 174.942 174.600 0.182 0.000 1.274 297 S CA -0.630 57.724 58.200 0.257 0.000 1.023 297 S CB 1.515 64.890 63.200 0.293 0.000 0.962 297 S HN 0.036 nan 8.310 nan 0.000 0.523 298 S N 1.552 117.346 115.700 0.157 0.000 2.566 298 S HA 0.365 4.836 4.470 0.002 0.000 0.280 298 S C 0.220 174.894 174.600 0.122 0.000 1.343 298 S CA -0.415 57.850 58.200 0.109 0.000 1.036 298 S CB 0.561 63.808 63.200 0.079 0.000 0.866 298 S HN 0.844 nan 8.310 nan 0.000 0.526 299 A N 3.270 126.156 122.820 0.109 0.000 3.216 299 A HA 0.462 4.783 4.320 0.002 0.000 0.321 299 A C -2.535 175.154 177.584 0.176 0.000 1.042 299 A CA -1.316 50.825 52.037 0.174 0.000 0.838 299 A CB 0.092 19.150 19.000 0.097 0.000 1.136 299 A HN 0.566 nan 8.150 nan 0.000 0.483 300 P HA 0.167 nan 4.420 nan 0.000 0.269 300 P C -2.041 175.392 177.300 0.222 0.000 1.209 300 P CA -0.839 62.330 63.100 0.114 0.000 0.776 300 P CB 1.138 32.846 31.700 0.013 0.000 0.876 301 P HA -0.097 nan 4.420 nan 0.000 0.219 301 P C 0.049 177.428 177.300 0.131 0.000 1.150 301 P CA 1.055 64.224 63.100 0.114 0.000 0.814 301 P CB 0.228 31.964 31.700 0.060 0.000 0.787 302 E N -0.114 120.159 120.200 0.122 0.000 2.529 302 E HA 0.006 4.357 4.350 0.002 0.000 0.259 302 E C 1.447 178.146 176.600 0.166 0.000 0.966 302 E CA 0.129 56.587 56.400 0.096 0.000 0.937 302 E CB 0.039 29.764 29.700 0.041 0.000 0.923 302 E HN 0.153 nan 8.360 nan 0.000 0.468 303 I N 2.438 123.068 120.570 0.100 0.000 2.179 303 I HA -0.305 3.866 4.170 0.002 0.000 0.242 303 I C 1.426 177.607 176.117 0.106 0.000 1.088 303 I CA 1.243 62.604 61.300 0.101 0.000 1.357 303 I CB -0.178 37.843 38.000 0.036 0.000 1.051 303 I HN 0.510 nan 8.210 nan 0.000 0.409 304 E N 0.582 120.799 120.200 0.028 0.000 2.333 304 E HA -0.190 4.161 4.350 0.002 0.000 0.198 304 E C 1.731 178.267 176.600 -0.108 0.000 1.007 304 E CA 0.584 56.959 56.400 -0.042 0.000 0.845 304 E CB -0.360 29.308 29.700 -0.054 0.000 0.766 304 E HN 0.356 nan 8.360 nan 0.000 0.507 305 E N -0.280 119.862 120.200 -0.097 0.000 2.409 305 E HA -0.120 4.231 4.350 0.002 0.000 0.198 305 E C 0.301 176.532 176.600 -0.616 0.000 1.024 305 E CA 0.758 56.959 56.400 -0.332 0.000 0.861 305 E CB 0.041 29.514 29.700 -0.378 0.000 0.788 305 E HN 0.526 nan 8.360 nan 0.000 0.521 306 Y N -0.826 119.298 120.300 -0.294 0.000 2.612 306 Y HA 0.105 4.657 4.550 0.002 0.000 0.250 306 Y C 0.960 176.521 175.900 -0.564 0.000 1.175 306 Y CA -0.925 56.872 58.100 -0.506 0.000 1.205 306 Y CB -0.340 37.817 38.460 -0.505 0.000 1.201 306 Y HN -0.013 nan 8.280 nan 0.000 0.532 307 C N -0.880 118.236 119.300 -0.307 0.000 2.689 307 C HA 0.153 4.614 4.460 0.002 0.000 0.409 307 C C 2.151 176.864 174.990 -0.462 0.000 1.293 307 C CA -0.825 58.001 59.018 -0.320 0.000 2.136 307 C CB 0.356 27.935 27.740 -0.268 0.000 2.719 307 C HN 0.633 nan 8.230 nan 0.000 0.644 308 M N 1.016 120.363 119.600 -0.421 0.000 2.144 308 M HA -0.129 4.352 4.480 0.002 0.000 0.260 308 M C 2.261 178.066 176.300 -0.825 0.000 1.067 308 M CA 2.081 57.112 55.300 -0.449 0.000 1.095 308 M CB -1.014 31.476 32.600 -0.183 0.000 1.365 308 M HN 0.979 nan 8.290 nan 0.000 0.406 309 E N -1.097 118.279 120.200 -1.373 0.000 2.077 309 E HA -0.177 4.174 4.350 0.002 0.000 0.193 309 E C 1.770 177.900 176.600 -0.784 0.000 0.989 309 E CA 1.653 56.980 56.400 -1.789 0.000 0.800 309 E CB 0.003 28.566 29.700 -1.895 0.000 0.746 309 E HN 0.381 nan 8.360 nan 0.000 0.452 310 V N 1.187 120.752 119.914 -0.582 0.000 2.379 310 V HA -0.233 3.888 4.120 0.002 0.000 0.245 310 V C 2.418 178.305 176.094 -0.344 0.000 1.044 310 V CA 1.263 63.331 62.300 -0.388 0.000 1.036 310 V CB -0.366 31.246 31.823 -0.353 0.000 0.664 310 V HN 0.328 nan 8.190 nan 0.000 0.453 311 L N -0.937 120.042 121.223 -0.406 0.000 2.042 311 L HA -0.238 4.104 4.340 0.002 0.000 0.210 311 L C 2.610 179.361 176.870 -0.199 0.000 1.076 311 L CA 1.603 56.238 54.840 -0.341 0.000 0.749 311 L CB -0.692 41.074 42.059 -0.487 0.000 0.893 311 L HN 0.389 nan 8.230 nan 0.000 0.432 312 C N -0.238 118.954 119.300 -0.180 0.000 2.466 312 C HA -0.116 4.345 4.460 0.002 0.000 0.278 312 C C 2.805 177.709 174.990 -0.144 0.000 1.288 312 C CA 0.499 59.488 59.018 -0.049 0.000 1.722 312 C CB -0.543 27.312 27.740 0.192 0.000 2.017 312 C HN 0.423 nan 8.230 nan 0.000 0.488 313 K N 0.780 121.092 120.400 -0.147 0.000 2.044 313 K HA -0.203 4.118 4.320 0.002 0.000 0.210 313 K C 1.876 178.384 176.600 -0.153 0.000 1.049 313 K CA 1.636 57.822 56.287 -0.168 0.000 0.927 313 K CB -0.268 32.176 32.500 -0.094 0.000 0.713 313 K HN 0.603 nan 8.250 nan 0.000 0.443 314 E N 0.102 120.229 120.200 -0.122 0.000 2.085 314 E HA -0.182 4.169 4.350 0.002 0.000 0.194 314 E C 1.986 178.585 176.600 -0.002 0.000 0.994 314 E CA 1.098 57.459 56.400 -0.064 0.000 0.801 314 E CB -0.012 29.637 29.700 -0.086 0.000 0.743 314 E HN 0.241 nan 8.360 nan 0.000 0.453 315 M N 0.210 119.797 119.600 -0.021 0.000 2.296 315 M HA -0.085 4.396 4.480 0.002 0.000 0.265 315 M C 2.322 178.689 176.300 0.113 0.000 1.064 315 M CA 0.855 56.203 55.300 0.081 0.000 1.109 315 M CB -0.498 32.156 32.600 0.090 0.000 1.396 315 M HN 0.029 nan 8.290 nan 0.000 0.430 316 V N 0.023 119.881 119.914 -0.093 0.000 2.379 316 V HA -0.195 3.926 4.120 0.002 0.000 0.245 316 V C 2.324 178.395 176.094 -0.039 0.000 1.044 316 V CA 1.902 64.109 62.300 -0.156 0.000 1.036 316 V CB -0.975 30.567 31.823 -0.470 0.000 0.664 316 V HN 0.431 nan 8.190 nan 0.000 0.453 317 T N 0.205 114.746 114.554 -0.022 0.000 2.833 317 T HA -0.181 4.170 4.350 0.002 0.000 0.269 317 T C 1.660 176.395 174.700 0.057 0.000 1.054 317 T CA 1.727 63.833 62.100 0.010 0.000 1.135 317 T CB -0.383 68.493 68.868 0.013 0.000 0.869 317 T HN 0.454 nan 8.240 nan 0.000 0.466 318 F N 1.906 121.827 119.950 -0.048 0.000 2.095 318 F HA -0.058 4.470 4.527 0.002 0.000 0.298 318 F C 1.853 177.608 175.800 -0.076 0.000 1.104 318 F CA 1.158 59.124 58.000 -0.057 0.000 1.232 318 F CB -0.535 38.429 39.000 -0.059 0.000 0.987 318 F HN 0.057 nan 8.300 nan 0.000 0.475 319 L N -0.119 121.089 121.223 -0.025 0.000 2.017 319 L HA -0.231 4.110 4.340 0.002 0.000 0.208 319 L C 2.302 179.086 176.870 -0.144 0.000 1.073 319 L CA 1.471 56.235 54.840 -0.126 0.000 0.745 319 L CB -1.015 41.074 42.059 0.049 0.000 0.894 319 L HN 0.081 nan 8.230 nan 0.000 0.432 320 D N 0.396 120.752 120.400 -0.073 0.000 2.126 320 D HA -0.193 4.449 4.640 0.002 0.000 0.190 320 D C 2.144 178.392 176.300 -0.086 0.000 1.001 320 D CA 1.286 55.250 54.000 -0.060 0.000 0.841 320 D CB -0.210 40.572 40.800 -0.030 0.000 0.949 320 D HN 0.186 nan 8.370 nan 0.000 0.446 321 K N 0.266 120.603 120.400 -0.105 0.000 2.209 321 K HA -0.026 4.295 4.320 0.002 0.000 0.204 321 K C 2.178 178.689 176.600 -0.150 0.000 1.048 321 K CA 0.209 56.436 56.287 -0.100 0.000 0.940 321 K CB -0.285 32.174 32.500 -0.070 0.000 0.729 321 K HN 0.277 nan 8.250 nan 0.000 0.451 322 L N 0.033 121.099 121.223 -0.262 0.000 2.591 322 L HA 0.076 4.417 4.340 0.002 0.000 0.228 322 L C 0.656 177.424 176.870 -0.170 0.000 1.133 322 L CA 0.268 54.945 54.840 -0.273 0.000 0.880 322 L CB -0.154 41.601 42.059 -0.507 0.000 1.033 322 L HN 0.363 nan 8.230 nan 0.000 0.450 323 G N 1.048 109.771 108.800 -0.129 0.000 2.246 323 G HA2 -0.278 3.683 3.960 0.002 0.000 0.273 323 G HA3 -0.278 3.683 3.960 0.002 0.000 0.273 323 G C -0.090 174.763 174.900 -0.079 0.000 1.055 323 G CA -0.102 44.949 45.100 -0.082 0.000 0.851 323 G HN 0.243 nan 8.290 nan 0.000 0.500 324 L N 0.928 122.093 121.223 -0.096 0.000 2.298 324 L HA 0.411 4.752 4.340 0.002 0.000 0.284 324 L C 1.750 178.604 176.870 -0.025 0.000 1.013 324 L CA -0.200 54.597 54.840 -0.071 0.000 0.824 324 L CB 1.636 43.629 42.059 -0.110 0.000 1.221 324 L HN 0.294 nan 8.230 nan 0.000 0.418 325 S N 1.740 117.437 115.700 -0.005 0.000 2.428 325 S HA 0.022 4.493 4.470 0.002 0.000 0.230 325 S C 0.587 175.219 174.600 0.053 0.000 1.014 325 S CA 0.350 58.562 58.200 0.021 0.000 0.957 325 S CB 0.085 63.297 63.200 0.020 0.000 0.784 325 S HN 0.737 nan 8.310 nan 0.000 0.499 326 Q N -0.790 119.043 119.800 0.055 0.000 2.648 326 Q HA 0.796 5.137 4.340 0.002 0.000 0.300 326 Q C -1.661 174.390 176.000 0.086 0.000 0.954 326 Q CA -0.841 55.026 55.803 0.106 0.000 0.757 326 Q CB 2.317 31.113 28.738 0.095 0.000 1.482 326 Q HN 0.349 nan 8.270 nan 0.000 0.437 327 A N 0.318 123.225 122.820 0.146 0.000 2.604 327 A HA 0.624 4.946 4.320 0.002 0.000 0.295 327 A C -1.467 176.145 177.584 0.045 0.000 1.067 327 A CA -0.489 51.533 52.037 -0.025 0.000 0.683 327 A CB 1.447 20.283 19.000 -0.273 0.000 1.281 327 A HN 0.306 nan 8.150 nan 0.000 0.407 328 V N 1.306 121.184 119.914 -0.061 0.000 2.546 328 V HA 0.428 4.549 4.120 0.002 0.000 0.284 328 V C -0.904 175.137 176.094 -0.088 0.000 1.050 328 V CA 0.249 62.575 62.300 0.045 0.000 0.981 328 V CB 0.658 32.480 31.823 -0.001 0.000 0.990 328 V HN 0.616 nan 8.190 nan 0.000 0.474 329 F N 5.388 125.358 119.950 0.032 0.000 2.402 329 F HA 0.599 5.127 4.527 0.002 0.000 0.355 329 F C 0.173 175.929 175.800 -0.074 0.000 1.123 329 F CA -0.422 57.562 58.000 -0.027 0.000 1.021 329 F CB 1.259 40.252 39.000 -0.011 0.000 1.160 329 F HN 0.219 nan 8.300 nan 0.000 0.451 330 I N 3.210 123.755 120.570 -0.043 0.000 2.410 330 I HA 0.595 4.766 4.170 0.002 0.000 0.286 330 I C 0.176 176.252 176.117 -0.068 0.000 1.009 330 I CA -0.458 60.777 61.300 -0.108 0.000 1.111 330 I CB 1.665 39.544 38.000 -0.201 0.000 1.262 330 I HN 0.666 nan 8.210 nan 0.000 0.443 331 G N 4.330 113.168 108.800 0.063 0.000 2.533 331 G HA2 0.487 4.448 3.960 0.002 0.000 0.304 331 G HA3 0.487 4.448 3.960 0.002 0.000 0.304 331 G C -1.829 173.294 174.900 0.371 0.000 1.263 331 G CA -0.310 44.943 45.100 0.255 0.000 0.964 331 G HN 0.629 nan 8.290 nan 0.000 0.479 332 H N 0.467 119.747 119.070 0.351 0.000 2.768 332 H HA 0.431 4.989 4.556 0.002 0.000 0.371 332 H C 0.361 175.782 175.328 0.154 0.000 1.151 332 H CA 0.509 56.659 56.048 0.171 0.000 1.165 332 H CB 2.498 32.254 29.762 -0.011 0.000 1.722 332 H HN 0.772 nan 8.280 nan 0.000 0.543 333 D N 2.230 122.235 120.400 -0.657 0.000 3.608 333 D HA -0.351 4.290 4.640 0.002 0.000 0.152 333 D C 0.950 177.252 176.300 0.003 0.000 0.971 333 D CA 2.663 56.472 54.000 -0.317 0.000 1.072 333 D CB -1.133 39.547 40.800 -0.201 0.000 0.507 333 D HN 0.687 nan 8.370 nan 0.000 0.520 334 W N 0.206 121.547 121.300 0.068 0.000 2.350 334 W HA 0.028 4.689 4.660 0.002 0.000 0.289 334 W C 2.547 179.172 176.519 0.177 0.000 1.215 334 W CA 1.242 58.648 57.345 0.102 0.000 1.236 334 W CB -0.656 28.764 29.460 -0.066 0.000 1.130 334 W HN 0.432 nan 8.180 nan 0.000 0.541 335 G N -0.273 108.722 108.800 0.326 0.000 2.432 335 G HA2 -0.191 3.771 3.960 0.002 0.000 0.219 335 G HA3 -0.191 3.771 3.960 0.002 0.000 0.219 335 G C 1.691 176.759 174.900 0.280 0.000 1.135 335 G CA 1.065 46.350 45.100 0.308 0.000 0.767 335 G HN 0.406 nan 8.290 nan 0.000 0.550 336 G N 0.569 109.492 108.800 0.205 0.000 2.402 336 G HA2 -0.173 3.788 3.960 0.002 0.000 0.216 336 G HA3 -0.173 3.788 3.960 0.002 0.000 0.216 336 G C 1.721 176.711 174.900 0.150 0.000 1.162 336 G CA 1.282 46.433 45.100 0.085 0.000 0.777 336 G HN 0.378 nan 8.290 nan 0.000 0.539 337 M N 0.528 120.326 119.600 0.329 0.000 2.108 337 M HA 0.061 4.542 4.480 0.002 0.000 0.261 337 M C 2.167 178.842 176.300 0.626 0.000 1.066 337 M CA 0.978 56.590 55.300 0.520 0.000 1.107 337 M CB -0.410 32.424 32.600 0.390 0.000 1.356 337 M HN 0.177 nan 8.290 nan 0.000 0.406 338 L N 0.195 121.743 121.223 0.543 0.000 2.042 338 L HA -0.107 4.234 4.340 0.002 0.000 0.210 338 L C 2.355 179.424 176.870 0.331 0.000 1.076 338 L CA 2.430 57.558 54.840 0.480 0.000 0.749 338 L CB -1.424 40.919 42.059 0.473 0.000 0.893 338 L HN 0.412 nan 8.230 nan 0.000 0.432 339 V N -3.454 116.562 119.914 0.171 0.000 2.427 339 V HA -0.248 3.873 4.120 0.002 0.000 0.248 339 V C 2.311 178.386 176.094 -0.031 0.000 1.051 339 V CA 1.442 63.743 62.300 0.001 0.000 1.048 339 V CB -1.492 30.281 31.823 -0.085 0.000 0.666 339 V HN 0.470 nan 8.190 nan 0.000 0.456 340 W N -0.568 120.814 121.300 0.137 0.000 2.338 340 W HA -0.120 4.541 4.660 0.002 0.000 0.304 340 W C 2.519 178.920 176.519 -0.197 0.000 1.212 340 W CA 1.344 58.645 57.345 -0.074 0.000 1.264 340 W CB -0.535 28.911 29.460 -0.023 0.000 1.142 340 W HN 0.233 nan 8.180 nan 0.000 0.512 341 Y N -0.875 119.651 120.300 0.376 0.000 2.373 341 Y HA -0.230 4.321 4.550 0.002 0.000 0.293 341 Y C 2.538 178.646 175.900 0.346 0.000 1.129 341 Y CA 0.904 59.223 58.100 0.365 0.000 1.226 341 Y CB -0.611 38.119 38.460 0.450 0.000 1.000 341 Y HN -0.131 nan 8.280 nan 0.000 0.549 342 M N -0.705 119.078 119.600 0.304 0.000 2.159 342 M HA -0.173 4.308 4.480 0.002 0.000 0.263 342 M C 2.409 178.791 176.300 0.137 0.000 1.063 342 M CA 1.584 56.987 55.300 0.170 0.000 1.110 342 M CB -1.356 31.066 32.600 -0.297 0.000 1.374 342 M HN 0.312 nan 8.290 nan 0.000 0.411 343 A N -0.336 122.523 122.820 0.066 0.000 1.968 343 A HA -0.055 4.266 4.320 0.002 0.000 0.217 343 A C 2.266 179.844 177.584 -0.011 0.000 1.169 343 A CA 0.983 53.047 52.037 0.045 0.000 0.638 343 A CB -0.690 18.355 19.000 0.074 0.000 0.812 343 A HN 0.454 nan 8.150 nan 0.000 0.446 344 L N -2.480 118.708 121.223 -0.058 0.000 2.240 344 L HA 0.003 4.344 4.340 0.002 0.000 0.211 344 L C 1.827 178.478 176.870 -0.365 0.000 1.106 344 L CA 0.968 55.665 54.840 -0.239 0.000 0.793 344 L CB -0.140 41.703 42.059 -0.359 0.000 0.927 344 L HN 0.460 nan 8.230 nan 0.000 0.446 345 F N -2.781 117.031 119.950 -0.229 0.000 2.727 345 F HA 0.103 4.631 4.527 0.002 0.000 0.302 345 F C 0.196 175.568 175.800 -0.714 0.000 1.107 345 F CA -0.151 57.570 58.000 -0.464 0.000 1.277 345 F CB 0.623 39.327 39.000 -0.492 0.000 1.079 345 F HN -0.115 nan 8.300 nan 0.000 0.594 346 Y N -0.987 119.412 120.300 0.164 0.000 2.624 346 Y HA 0.296 4.848 4.550 0.002 0.000 0.302 346 Y C -2.132 173.790 175.900 0.036 0.000 0.939 346 Y CA -2.042 56.113 58.100 0.091 0.000 1.116 346 Y CB -0.180 38.328 38.460 0.080 0.000 1.173 346 Y HN -0.114 nan 8.280 nan 0.000 0.631 347 P HA -0.245 nan 4.420 nan 0.000 0.217 347 P C 1.530 178.888 177.300 0.096 0.000 1.148 347 P CA 1.599 64.743 63.100 0.074 0.000 0.828 347 P CB 0.429 32.143 31.700 0.024 0.000 0.783 348 E N -0.504 119.760 120.200 0.107 0.000 2.160 348 E HA -0.212 4.139 4.350 0.002 0.000 0.195 348 E C 1.502 178.172 176.600 0.115 0.000 0.991 348 E CA 0.864 57.325 56.400 0.101 0.000 0.810 348 E CB 0.067 29.830 29.700 0.105 0.000 0.742 348 E HN 0.055 nan 8.360 nan 0.000 0.466 349 R N -0.328 120.259 120.500 0.145 0.000 2.290 349 R HA 0.147 4.488 4.340 0.002 0.000 0.197 349 R C 0.099 176.522 176.300 0.204 0.000 0.913 349 R CA 0.113 56.303 56.100 0.151 0.000 1.040 349 R CB 0.409 30.787 30.300 0.130 0.000 0.992 349 R HN -0.031 nan 8.270 nan 0.000 0.500 350 V N 2.762 122.779 119.914 0.173 0.000 2.348 350 V HA 0.187 4.308 4.120 0.002 0.000 0.270 350 V C 1.432 177.640 176.094 0.190 0.000 1.037 350 V CA -0.484 61.955 62.300 0.231 0.000 0.872 350 V CB 1.522 33.427 31.823 0.137 0.000 1.002 350 V HN 0.022 nan 8.190 nan 0.000 0.464 351 R N 4.416 125.030 120.500 0.191 0.000 2.092 351 R HA 0.200 4.541 4.340 0.002 0.000 0.231 351 R C 0.545 176.909 176.300 0.106 0.000 1.119 351 R CA 1.558 57.725 56.100 0.111 0.000 0.970 351 R CB 0.077 30.419 30.300 0.070 0.000 0.864 351 R HN 0.851 nan 8.270 nan 0.000 0.440 352 A N -1.486 121.437 122.820 0.171 0.000 2.608 352 A HA 0.570 4.891 4.320 0.002 0.000 0.292 352 A C -1.777 176.039 177.584 0.387 0.000 1.066 352 A CA -0.329 51.858 52.037 0.251 0.000 0.676 352 A CB 1.454 20.491 19.000 0.062 0.000 1.277 352 A HN 0.068 nan 8.150 nan 0.000 0.413 353 V N 0.102 120.274 119.914 0.430 0.000 2.709 353 V HA 0.916 5.037 4.120 0.002 0.000 0.308 353 V C -0.431 175.605 176.094 -0.096 0.000 1.062 353 V CA 0.295 62.695 62.300 0.166 0.000 0.901 353 V CB 1.578 33.400 31.823 -0.003 0.000 1.003 353 V HN 2.368 nan 8.190 nan 0.000 0.425 354 A N 4.167 126.788 122.820 -0.333 0.000 2.455 354 A HA 0.863 5.184 4.320 0.002 0.000 0.300 354 A C -0.846 176.471 177.584 -0.445 0.000 1.040 354 A CA -0.242 51.448 52.037 -0.579 0.000 0.697 354 A CB 2.150 20.615 19.000 -0.892 0.000 1.265 354 A HN 1.257 nan 8.150 nan 0.000 0.407 355 S N 1.787 117.265 115.700 -0.370 0.000 2.532 355 S HA 0.704 5.175 4.470 0.002 0.000 0.299 355 S C -1.010 173.611 174.600 0.034 0.000 1.105 355 S CA -0.527 57.577 58.200 -0.161 0.000 1.018 355 S CB 0.457 63.557 63.200 -0.167 0.000 1.021 355 S HN 0.626 nan 8.310 nan 0.000 0.483 356 L N 5.040 126.328 121.223 0.108 0.000 2.282 356 L HA 0.483 4.824 4.340 0.002 0.000 0.288 356 L C 0.702 177.637 176.870 0.108 0.000 1.033 356 L CA -0.584 54.337 54.840 0.135 0.000 0.807 356 L CB 0.857 43.048 42.059 0.220 0.000 1.209 356 L HN 0.916 nan 8.230 nan 0.000 0.423 357 N N -0.068 118.679 118.700 0.078 0.000 1.922 357 N HA -0.209 4.532 4.740 0.002 0.000 0.219 357 N C 0.275 175.833 175.510 0.081 0.000 0.931 357 N CA 2.245 55.322 53.050 0.045 0.000 3.603 357 N CB -1.294 37.173 38.487 -0.034 0.000 0.737 357 N HN 0.658 nan 8.380 nan 0.000 0.353 358 T N 3.946 118.555 114.554 0.091 0.000 2.751 358 T HA 0.324 4.675 4.350 0.002 0.000 0.290 358 T C -2.387 172.520 174.700 0.345 0.000 0.919 358 T CA -0.671 61.528 62.100 0.165 0.000 1.136 358 T CB 1.282 70.236 68.868 0.143 0.000 0.875 358 T HN 0.192 nan 8.240 nan 0.000 0.532 359 P HA 0.286 nan 4.420 nan 0.000 0.281 359 P C -0.723 176.604 177.300 0.043 0.000 1.249 359 P CA -0.803 62.390 63.100 0.156 0.000 0.810 359 P CB 0.745 32.468 31.700 0.039 0.000 1.008 360 F N 3.823 123.466 119.950 -0.511 0.000 2.424 360 F HA 0.465 4.993 4.527 0.002 0.000 0.356 360 F C -0.635 174.909 175.800 -0.427 0.000 1.110 360 F CA -0.708 56.844 58.000 -0.747 0.000 1.161 360 F CB -0.067 38.016 39.000 -1.528 0.000 1.115 360 F HN 0.119 nan 8.300 nan 0.000 0.507 361 I N 8.714 128.613 120.570 -1.118 0.000 2.466 361 I HA 0.322 4.493 4.170 0.002 0.000 0.289 361 I C -2.139 173.274 176.117 -1.173 0.000 1.026 361 I CA -2.126 58.591 61.300 -0.972 0.000 1.078 361 I CB 2.191 39.972 38.000 -0.365 0.000 1.249 361 I HN 0.482 nan 8.210 nan 0.000 0.429 362 P HA 0.207 nan 4.420 nan 0.000 0.274 362 P C -0.549 176.585 177.300 -0.277 0.000 1.231 362 P CA -0.337 62.244 63.100 -0.865 0.000 0.790 362 P CB 1.086 32.051 31.700 -1.226 0.000 0.951 363 A N 2.590 125.375 122.820 -0.060 0.000 2.445 363 A HA 0.108 4.429 4.320 0.002 0.000 0.242 363 A C 0.649 178.351 177.584 0.196 0.000 1.075 363 A CA -0.279 51.851 52.037 0.154 0.000 0.777 363 A CB -0.388 18.703 19.000 0.152 0.000 1.013 363 A HN 0.651 nan 8.150 nan 0.000 0.493 364 N N 2.062 120.973 118.700 0.352 0.000 2.420 364 N HA 0.233 4.974 4.740 0.002 0.000 0.249 364 N C -2.065 173.732 175.510 0.480 0.000 1.033 364 N CA -1.973 51.261 53.050 0.307 0.000 0.944 364 N CB 1.256 39.867 38.487 0.207 0.000 1.113 364 N HN 0.159 nan 8.380 nan 0.000 0.502 365 P HA -0.111 nan 4.420 nan 0.000 0.218 365 P C 0.431 177.973 177.300 0.404 0.000 1.146 365 P CA 1.247 64.507 63.100 0.267 0.000 0.813 365 P CB 0.474 32.256 31.700 0.137 0.000 0.778 366 N N -1.470 117.414 118.700 0.307 0.000 2.413 366 N HA 0.052 4.793 4.740 0.002 0.000 0.193 366 N C 0.890 176.488 175.510 0.146 0.000 1.043 366 N CA 0.229 53.411 53.050 0.221 0.000 0.910 366 N CB -0.634 37.929 38.487 0.127 0.000 1.111 366 N HN 0.157 nan 8.380 nan 0.000 0.452 367 M N 2.728 122.375 119.600 0.077 0.000 2.246 367 M HA 0.016 4.498 4.480 0.002 0.000 0.350 367 M C 0.388 176.509 176.300 -0.298 0.000 1.406 367 M CA -0.098 55.166 55.300 -0.061 0.000 1.089 367 M CB 0.538 33.122 32.600 -0.028 0.000 1.782 367 M HN 0.166 nan 8.290 nan 0.000 0.457 368 S N 5.104 120.544 115.700 -0.434 0.000 2.593 368 S HA 0.265 4.736 4.470 0.002 0.000 0.269 368 S C -2.150 172.101 174.600 -0.581 0.000 1.334 368 S CA -1.159 56.569 58.200 -0.788 0.000 1.015 368 S CB 0.603 63.499 63.200 -0.507 0.000 0.912 368 S HN 0.545 nan 8.310 nan 0.000 0.541 369 P HA -0.128 nan 4.420 nan 0.000 0.214 369 P C 1.746 178.940 177.300 -0.176 0.000 1.163 369 P CA 0.610 63.527 63.100 -0.305 0.000 0.889 369 P CB -0.070 31.516 31.700 -0.189 0.000 0.790 370 L N 0.121 121.245 121.223 -0.165 0.000 2.013 370 L HA -0.239 4.102 4.340 0.002 0.000 0.212 370 L C 2.092 178.907 176.870 -0.092 0.000 1.073 370 L CA 1.998 56.775 54.840 -0.104 0.000 0.753 370 L CB -1.263 40.739 42.059 -0.094 0.000 0.890 370 L HN -0.024 nan 8.230 nan 0.000 0.432 371 E N -1.128 119.001 120.200 -0.117 0.000 2.031 371 E HA -0.195 4.156 4.350 0.002 0.000 0.193 371 E C 2.117 178.682 176.600 -0.057 0.000 0.994 371 E CA 1.548 57.898 56.400 -0.085 0.000 0.800 371 E CB -0.252 29.388 29.700 -0.101 0.000 0.752 371 E HN 0.494 nan 8.360 nan 0.000 0.447 372 S N 0.975 116.633 115.700 -0.071 0.000 2.359 372 S HA -0.168 4.303 4.470 0.002 0.000 0.224 372 S C 2.067 176.683 174.600 0.026 0.000 1.035 372 S CA 0.984 59.171 58.200 -0.021 0.000 1.018 372 S CB -0.251 62.933 63.200 -0.027 0.000 0.876 372 S HN 0.208 nan 8.310 nan 0.000 0.448 373 I N 1.253 121.829 120.570 0.010 0.000 2.315 373 I HA -0.177 3.994 4.170 0.002 0.000 0.248 373 I C 2.232 178.388 176.117 0.064 0.000 1.117 373 I CA 1.146 62.483 61.300 0.061 0.000 1.404 373 I CB -0.275 37.702 38.000 -0.038 0.000 1.071 373 I HN 0.250 nan 8.210 nan 0.000 0.419 374 K N 0.969 121.375 120.400 0.009 0.000 2.283 374 K HA -0.049 4.272 4.320 0.002 0.000 0.202 374 K C 1.749 178.354 176.600 0.009 0.000 1.048 374 K CA 1.097 57.385 56.287 0.001 0.000 0.948 374 K CB -0.125 32.364 32.500 -0.018 0.000 0.742 374 K HN 0.253 nan 8.250 nan 0.000 0.458 375 A N 1.465 124.293 122.820 0.014 0.000 2.261 375 A HA -0.037 4.284 4.320 0.002 0.000 0.208 375 A C 0.112 177.697 177.584 0.001 0.000 1.223 375 A CA 0.229 52.269 52.037 0.006 0.000 0.833 375 A CB -0.570 18.433 19.000 0.005 0.000 0.830 375 A HN 0.331 nan 8.150 nan 0.000 0.483 376 N N -0.432 118.276 118.700 0.013 0.000 2.581 376 N HA 0.277 5.018 4.740 0.002 0.000 0.279 376 N C -2.512 172.978 175.510 -0.035 0.000 1.124 376 N CA -1.596 51.425 53.050 -0.048 0.000 0.833 376 N CB 1.456 39.876 38.487 -0.110 0.000 1.338 376 N HN -0.199 nan 8.380 nan 0.000 0.533 377 P HA -0.231 nan 4.420 nan 0.000 0.217 377 P C 1.372 178.703 177.300 0.053 0.000 1.158 377 P CA 0.837 63.937 63.100 0.001 0.000 0.887 377 P CB 0.358 32.041 31.700 -0.028 0.000 0.792 378 V N -1.862 118.052 119.914 0.001 0.000 2.759 378 V HA -0.162 3.959 4.120 0.002 0.000 0.256 378 V C 1.350 177.599 176.094 0.259 0.000 1.080 378 V CA 1.553 63.898 62.300 0.075 0.000 1.101 378 V CB -1.093 30.697 31.823 -0.054 0.000 0.698 378 V HN -0.052 nan 8.190 nan 0.000 0.477 379 F N 0.592 120.577 119.950 0.058 0.000 2.692 379 F HA 0.196 4.725 4.527 0.002 0.000 0.303 379 F C 1.735 177.332 175.800 -0.338 0.000 1.114 379 F CA 0.218 58.116 58.000 -0.170 0.000 1.361 379 F CB -0.882 38.025 39.000 -0.155 0.000 1.063 379 F HN 0.385 nan 8.300 nan 0.000 0.550 380 D N 0.115 120.537 120.400 0.037 0.000 2.123 380 D HA -0.289 4.352 4.640 0.002 0.000 0.196 380 D C 2.273 178.469 176.300 -0.174 0.000 0.992 380 D CA 1.759 55.733 54.000 -0.045 0.000 0.833 380 D CB -0.338 40.472 40.800 0.016 0.000 0.954 380 D HN 0.459 nan 8.370 nan 0.000 0.455 381 Y N 0.088 120.279 120.300 -0.183 0.000 2.298 381 Y HA -0.157 4.394 4.550 0.002 0.000 0.287 381 Y C 2.009 177.468 175.900 -0.735 0.000 1.164 381 Y CA 1.242 59.080 58.100 -0.438 0.000 1.229 381 Y CB -0.976 37.215 38.460 -0.448 0.000 0.977 381 Y HN 0.079 nan 8.280 nan 0.000 0.538 382 Q N 0.676 119.752 119.800 -1.207 0.000 2.224 382 Q HA -0.067 4.274 4.340 0.002 0.000 0.203 382 Q C 2.208 177.975 176.000 -0.388 0.000 0.970 382 Q CA 1.557 56.867 55.803 -0.822 0.000 0.865 382 Q CB -0.176 28.212 28.738 -0.584 0.000 0.922 382 Q HN 0.603 nan 8.270 nan 0.000 0.445 383 L N -0.709 120.344 121.223 -0.282 0.000 2.109 383 L HA -0.164 4.177 4.340 0.002 0.000 0.207 383 L C 2.336 179.164 176.870 -0.069 0.000 1.086 383 L CA 0.944 55.711 54.840 -0.122 0.000 0.760 383 L CB -0.529 41.484 42.059 -0.076 0.000 0.910 383 L HN 0.199 nan 8.230 nan 0.000 0.437 384 Y N 0.227 120.381 120.300 -0.244 0.000 2.315 384 Y HA -0.232 4.319 4.550 0.002 0.000 0.288 384 Y C 2.016 177.931 175.900 0.024 0.000 1.154 384 Y CA 1.146 59.157 58.100 -0.148 0.000 1.229 384 Y CB -0.141 38.191 38.460 -0.212 0.000 0.980 384 Y HN 0.028 nan 8.280 nan 0.000 0.540 385 F N 0.078 119.885 119.950 -0.237 0.000 2.710 385 F HA -0.052 4.476 4.527 0.002 0.000 0.298 385 F C 2.074 177.744 175.800 -0.216 0.000 1.137 385 F CA 0.065 57.865 58.000 -0.333 0.000 1.444 385 F CB -0.796 37.926 39.000 -0.463 0.000 1.111 385 F HN 0.124 nan 8.300 nan 0.000 0.580 386 Q N 0.591 120.403 119.800 0.018 0.000 1.993 386 Q HA -0.186 4.155 4.340 0.002 0.000 0.202 386 Q C 0.873 176.860 176.000 -0.021 0.000 0.984 386 Q CA 0.933 56.742 55.803 0.010 0.000 0.837 386 Q CB -0.857 27.880 28.738 -0.002 0.000 0.902 386 Q HN 0.258 nan 8.270 nan 0.000 0.423 387 E N 2.828 122.996 120.200 -0.053 0.000 2.463 387 E HA 0.031 4.382 4.350 0.002 0.000 0.248 387 E C -2.363 174.195 176.600 -0.069 0.000 1.106 387 E CA -1.663 54.703 56.400 -0.057 0.000 0.946 387 E CB 0.327 29.988 29.700 -0.065 0.000 0.971 387 E HN -0.053 nan 8.360 nan 0.000 0.478 388 P HA 0.068 nan 4.420 nan 0.000 0.260 388 P C 0.581 177.853 177.300 -0.046 0.000 1.185 388 P CA 1.164 64.240 63.100 -0.040 0.000 0.763 388 P CB 0.782 32.470 31.700 -0.020 0.000 0.776 389 G N 1.442 110.209 108.800 -0.055 0.000 2.349 389 G HA2 -0.305 3.656 3.960 0.002 0.000 0.213 389 G HA3 -0.305 3.656 3.960 0.002 0.000 0.213 389 G C 1.004 175.861 174.900 -0.072 0.000 1.044 389 G CA 0.171 45.242 45.100 -0.047 0.000 0.633 389 G HN 0.345 nan 8.290 nan 0.000 0.506 390 V N 1.994 121.841 119.914 -0.112 0.000 2.214 390 V HA 0.050 4.171 4.120 0.002 0.000 0.245 390 V C 3.351 179.329 176.094 -0.194 0.000 1.047 390 V CA 3.408 65.621 62.300 -0.146 0.000 0.998 390 V CB -1.485 30.205 31.823 -0.222 0.000 0.633 390 V HN 1.197 nan 8.190 nan 0.000 0.446 391 A N -0.389 122.214 122.820 -0.362 0.000 1.948 391 A HA -0.301 4.020 4.320 0.002 0.000 0.220 391 A C 2.086 179.560 177.584 -0.184 0.000 1.177 391 A CA 2.292 54.145 52.037 -0.306 0.000 0.636 391 A CB -0.666 18.130 19.000 -0.340 0.000 0.815 391 A HN 0.636 nan 8.150 nan 0.000 0.449 392 E N -0.124 119.996 120.200 -0.132 0.000 2.070 392 E HA -0.119 4.232 4.350 0.002 0.000 0.197 392 E C 2.307 178.862 176.600 -0.075 0.000 1.004 392 E CA 1.557 57.921 56.400 -0.060 0.000 0.805 392 E CB -0.439 29.261 29.700 -0.000 0.000 0.744 392 E HN 0.617 nan 8.360 nan 0.000 0.451 393 A N 0.759 123.547 122.820 -0.054 0.000 1.877 393 A HA -0.290 4.032 4.320 0.002 0.000 0.216 393 A C 2.179 179.741 177.584 -0.037 0.000 1.186 393 A CA 1.882 53.901 52.037 -0.030 0.000 0.620 393 A CB -0.595 18.398 19.000 -0.012 0.000 0.822 393 A HN 0.328 nan 8.150 nan 0.000 0.443 394 E N -0.242 119.942 120.200 -0.026 0.000 2.051 394 E HA -0.157 4.194 4.350 0.002 0.000 0.192 394 E C 1.910 178.491 176.600 -0.031 0.000 0.991 394 E CA 1.193 57.603 56.400 0.016 0.000 0.799 394 E CB -0.214 29.528 29.700 0.070 0.000 0.748 394 E HN 0.604 nan 8.360 nan 0.000 0.449 395 L N 0.434 121.517 121.223 -0.235 0.000 2.141 395 L HA -0.111 4.230 4.340 0.002 0.000 0.209 395 L C 2.143 178.671 176.870 -0.571 0.000 1.094 395 L CA 1.106 55.607 54.840 -0.565 0.000 0.763 395 L CB -0.121 41.126 42.059 -1.353 0.000 0.908 395 L HN 0.128 nan 8.230 nan 0.000 0.437 396 E N -0.890 119.127 120.200 -0.305 0.000 2.442 396 E HA -0.141 4.210 4.350 0.002 0.000 0.195 396 E C 1.970 178.546 176.600 -0.040 0.000 1.030 396 E CA -0.087 56.269 56.400 -0.073 0.000 0.869 396 E CB 0.151 29.883 29.700 0.053 0.000 0.857 396 E HN 0.367 nan 8.360 nan 0.000 0.505 397 Q N 1.101 120.867 119.800 -0.058 0.000 2.061 397 Q HA -0.151 4.190 4.340 0.002 0.000 0.204 397 Q C 0.425 176.397 176.000 -0.047 0.000 0.984 397 Q CA 1.030 56.813 55.803 -0.034 0.000 0.846 397 Q CB 0.212 28.938 28.738 -0.020 0.000 0.902 397 Q HN 0.067 nan 8.270 nan 0.000 0.421 398 N N -0.239 118.407 118.700 -0.090 0.000 2.640 398 N HA 0.119 4.860 4.740 0.002 0.000 0.262 398 N C 0.573 175.988 175.510 -0.160 0.000 1.174 398 N CA -0.028 52.958 53.050 -0.107 0.000 0.791 398 N CB 0.663 39.070 38.487 -0.133 0.000 1.279 398 N HN 0.148 nan 8.380 nan 0.000 0.535 399 L N 0.655 121.829 121.223 -0.081 0.000 2.012 399 L HA -0.164 4.177 4.340 0.002 0.000 0.210 399 L C 2.265 179.090 176.870 -0.075 0.000 1.073 399 L CA 1.161 55.959 54.840 -0.069 0.000 0.748 399 L CB -0.483 41.675 42.059 0.164 0.000 0.891 399 L HN 0.425 nan 8.230 nan 0.000 0.431 400 S N -0.288 115.401 115.700 -0.018 0.000 2.359 400 S HA -0.262 4.209 4.470 0.002 0.000 0.224 400 S C 2.223 176.737 174.600 -0.144 0.000 1.035 400 S CA 1.640 59.832 58.200 -0.014 0.000 1.018 400 S CB -0.217 62.972 63.200 -0.018 0.000 0.876 400 S HN 0.332 nan 8.310 nan 0.000 0.448 401 R N -0.136 120.224 120.500 -0.233 0.000 2.073 401 R HA -0.094 4.247 4.340 0.002 0.000 0.234 401 R C 2.232 178.180 176.300 -0.587 0.000 1.134 401 R CA 1.964 57.845 56.100 -0.366 0.000 0.952 401 R CB -0.997 29.072 30.300 -0.384 0.000 0.850 401 R HN 0.410 nan 8.270 nan 0.000 0.433 402 T N 0.797 114.948 114.554 -0.672 0.000 2.635 402 T HA -0.176 4.175 4.350 0.002 0.000 0.267 402 T C 1.454 175.663 174.700 -0.817 0.000 1.040 402 T CA 2.026 63.624 62.100 -0.836 0.000 1.156 402 T CB -0.333 68.028 68.868 -0.845 0.000 0.863 402 T HN 0.205 nan 8.240 nan 0.000 0.430 403 F N 1.195 120.818 119.950 -0.546 0.000 2.325 403 F HA 0.162 4.691 4.527 0.002 0.000 0.299 403 F C 2.322 177.693 175.800 -0.714 0.000 1.090 403 F CA 0.497 57.963 58.000 -0.890 0.000 1.392 403 F CB -0.351 38.164 39.000 -0.808 0.000 1.053 403 F HN 0.061 nan 8.300 nan 0.000 0.521 404 K N -0.263 119.965 120.400 -0.286 0.000 2.155 404 K HA -0.065 4.256 4.320 0.002 0.000 0.203 404 K C 2.154 178.624 176.600 -0.217 0.000 1.052 404 K CA 1.363 57.532 56.287 -0.198 0.000 0.948 404 K CB -0.245 32.169 32.500 -0.143 0.000 0.728 404 K HN 0.112 nan 8.250 nan 0.000 0.448 405 S N 1.292 116.807 115.700 -0.307 0.000 2.387 405 S HA -0.011 4.461 4.470 0.002 0.000 0.226 405 S C 1.907 176.459 174.600 -0.081 0.000 1.026 405 S CA 0.815 58.889 58.200 -0.211 0.000 0.972 405 S CB -0.057 62.917 63.200 -0.377 0.000 0.814 405 S HN 0.157 nan 8.310 nan 0.000 0.477 406 L N -0.057 121.048 121.223 -0.197 0.000 2.034 406 L HA 0.096 4.437 4.340 0.002 0.000 0.203 406 L C 0.210 176.969 176.870 -0.186 0.000 1.074 406 L CA 0.593 55.369 54.840 -0.107 0.000 0.748 406 L CB -0.406 41.450 42.059 -0.338 0.000 0.905 406 L HN 0.225 nan 8.230 nan 0.000 0.439 407 F N 2.624 122.218 119.950 -0.593 0.000 2.662 407 F HA 0.201 4.730 4.527 0.002 0.000 0.343 407 F C 0.513 176.115 175.800 -0.329 0.000 1.302 407 F CA -0.093 57.411 58.000 -0.826 0.000 1.142 407 F CB -1.270 37.303 39.000 -0.712 0.000 1.524 407 F HN 0.039 nan 8.300 nan 0.000 0.668 408 R N 0.674 121.231 120.500 0.095 0.000 2.725 408 R HA 0.766 5.107 4.340 0.002 0.000 0.277 408 R C -0.263 176.195 176.300 0.263 0.000 0.987 408 R CA -1.168 55.032 56.100 0.167 0.000 0.901 408 R CB 1.994 32.384 30.300 0.150 0.000 1.207 408 R HN 0.419 nan 8.270 nan 0.000 0.463 409 A N 0.834 123.749 122.820 0.158 0.000 2.366 409 A HA 0.103 4.424 4.320 0.002 0.000 0.250 409 A C 1.386 179.050 177.584 0.132 0.000 1.099 409 A CA 0.304 52.419 52.037 0.129 0.000 0.794 409 A CB 0.198 19.239 19.000 0.069 0.000 1.056 409 A HN 0.934 nan 8.150 nan 0.000 0.499 410 S N -0.336 115.411 115.700 0.078 0.000 2.402 410 S HA -0.219 4.252 4.470 0.002 0.000 0.233 410 S C 0.553 175.250 174.600 0.162 0.000 1.030 410 S CA 1.781 60.024 58.200 0.072 0.000 1.003 410 S CB -0.662 62.528 63.200 -0.016 0.000 0.813 410 S HN 0.840 nan 8.310 nan 0.000 0.477 411 D N -0.120 120.353 120.400 0.122 0.000 2.643 411 D HA 0.295 4.936 4.640 0.002 0.000 0.244 411 D C 0.484 176.841 176.300 0.094 0.000 1.257 411 D CA -0.393 53.677 54.000 0.116 0.000 0.831 411 D CB 0.029 40.882 40.800 0.087 0.000 1.043 411 D HN 0.547 nan 8.370 nan 0.000 0.488 412 E N -0.484 119.779 120.200 0.104 0.000 2.641 412 E HA 0.084 4.436 4.350 0.002 0.000 0.224 412 E C 0.321 176.977 176.600 0.093 0.000 0.951 412 E CA -0.279 56.171 56.400 0.083 0.000 1.102 412 E CB 0.781 30.524 29.700 0.073 0.000 1.091 412 E HN 0.165 nan 8.360 nan 0.000 0.507 416 L N 1.801 123.057 121.223 0.056 0.000 2.319 416 L HA 0.917 5.258 4.340 0.002 0.000 0.267 416 L C 0.026 176.854 176.870 -0.071 0.000 1.011 416 L CA -0.243 54.606 54.840 0.015 0.000 0.818 416 L CB 2.253 44.348 42.059 0.060 0.000 1.316 416 L HN 0.286 nan 8.230 nan 0.000 0.432 417 S N 0.601 116.183 115.700 -0.196 0.000 2.399 417 S HA 0.267 4.739 4.470 0.002 0.000 0.215 417 S C 0.795 175.072 174.600 -0.538 0.000 1.456 417 S CA -0.759 57.156 58.200 -0.477 0.000 1.199 417 S CB 0.944 63.785 63.200 -0.599 0.000 1.063 417 S HN 0.526 nan 8.310 nan 0.000 0.476 418 M N 2.227 121.629 119.600 -0.330 0.000 2.419 418 M HA -0.173 4.308 4.480 0.002 0.000 0.260 418 M C 1.746 178.010 176.300 -0.059 0.000 1.073 418 M CA 1.838 57.030 55.300 -0.179 0.000 1.056 418 M CB -1.618 30.893 32.600 -0.149 0.000 1.394 418 M HN 0.984 nan 8.290 nan 0.000 0.444 419 H N -1.202 117.877 119.070 0.015 0.000 2.448 419 H HA 0.132 4.689 4.556 0.002 0.000 0.292 419 H C 1.089 176.402 175.328 -0.024 0.000 1.035 419 H CA 0.714 56.764 56.048 0.003 0.000 1.349 419 H CB -0.235 29.514 29.762 -0.021 0.000 1.425 419 H HN 0.059 nan 8.280 nan 0.000 0.539 420 K N 1.367 121.774 120.400 0.013 0.000 2.493 420 K HA 0.220 4.541 4.320 0.002 0.000 0.207 420 K C 1.130 177.674 176.600 -0.094 0.000 1.033 420 K CA -0.012 56.297 56.287 0.036 0.000 1.161 420 K CB 0.656 33.215 32.500 0.098 0.000 0.873 420 K HN 0.222 nan 8.250 nan 0.000 0.491 421 V N 0.154 119.980 119.914 -0.146 0.000 2.216 421 V HA -0.336 3.785 4.120 0.002 0.000 0.243 421 V C 2.326 178.255 176.094 -0.274 0.000 1.044 421 V CA 1.717 63.862 62.300 -0.259 0.000 0.995 421 V CB -0.532 31.122 31.823 -0.281 0.000 0.633 421 V HN 0.398 nan 8.190 nan 0.000 0.446 422 C N -0.182 119.014 119.300 -0.174 0.000 2.401 422 C HA -0.223 4.239 4.460 0.002 0.000 0.276 422 C C 2.885 177.828 174.990 -0.078 0.000 1.233 422 C CA 1.842 60.802 59.018 -0.097 0.000 1.753 422 C CB -0.957 26.767 27.740 -0.027 0.000 2.029 422 C HN 0.755 nan 8.230 nan 0.000 0.478 423 E N 0.378 120.539 120.200 -0.064 0.000 2.038 423 E HA -0.213 4.138 4.350 0.002 0.000 0.195 423 E C 2.129 178.693 176.600 -0.059 0.000 1.000 423 E CA 1.537 57.911 56.400 -0.043 0.000 0.803 423 E CB -0.251 29.435 29.700 -0.024 0.000 0.750 423 E HN 0.606 nan 8.360 nan 0.000 0.448 424 A N -0.060 122.705 122.820 -0.091 0.000 2.070 424 A HA 0.029 4.350 4.320 0.002 0.000 0.220 424 A C 1.980 179.497 177.584 -0.111 0.000 1.159 424 A CA 1.549 53.527 52.037 -0.099 0.000 0.656 424 A CB -0.744 18.180 19.000 -0.126 0.000 0.800 424 A HN 0.633 nan 8.150 nan 0.000 0.453 425 G N -3.216 105.499 108.800 -0.143 0.000 2.157 425 G HA2 0.197 4.159 3.960 0.002 0.000 0.248 425 G HA3 0.197 4.159 3.960 0.002 0.000 0.248 425 G C 0.726 175.510 174.900 -0.194 0.000 0.979 425 G CA 0.526 45.564 45.100 -0.104 0.000 0.650 425 G HN 1.955 nan 8.290 nan 0.000 0.529 426 G N -2.207 106.341 108.800 -0.421 0.000 2.550 426 G HA2 0.623 4.584 3.960 0.002 0.000 0.293 426 G HA3 0.623 4.584 3.960 0.002 0.000 0.293 426 G C 0.093 174.590 174.900 -0.670 0.000 1.402 426 G CA 0.134 44.895 45.100 -0.566 0.000 0.784 426 G HN 0.994 nan 8.290 nan 0.000 0.482 427 L N -1.084 119.760 121.223 -0.631 0.000 2.408 427 L HA 0.544 4.885 4.340 0.002 0.000 0.215 427 L C 1.240 177.776 176.870 -0.557 0.000 1.081 427 L CA 1.113 55.565 54.840 -0.647 0.000 0.840 427 L CB -0.035 41.578 42.059 -0.743 0.000 1.002 427 L HN 0.509 nan 8.230 nan 0.000 0.468 428 F N -2.715 117.170 119.950 -0.108 0.000 2.683 428 F HA 0.180 4.708 4.527 0.002 0.000 0.306 428 F C 1.755 177.504 175.800 -0.085 0.000 1.102 428 F CA -0.329 57.615 58.000 -0.094 0.000 1.244 428 F CB 0.097 39.040 39.000 -0.095 0.000 1.029 428 F HN -0.274 nan 8.300 nan 0.000 0.545 429 V N 0.619 120.542 119.914 0.015 0.000 2.313 429 V HA -0.343 3.778 4.120 0.002 0.000 0.253 429 V C 1.143 177.242 176.094 0.008 0.000 1.070 429 V CA 1.823 64.120 62.300 -0.005 0.000 1.057 429 V CB -0.381 31.407 31.823 -0.059 0.000 0.653 429 V HN 0.436 nan 8.190 nan 0.000 0.450 430 N N -0.012 118.691 118.700 0.004 0.000 2.610 430 N HA 0.217 4.958 4.740 0.002 0.000 0.309 430 N C -0.383 175.139 175.510 0.018 0.000 1.536 430 N CA 0.151 53.204 53.050 0.005 0.000 0.954 430 N CB 1.260 39.742 38.487 -0.009 0.000 1.310 430 N HN 0.386 nan 8.380 nan 0.000 0.502 431 S N 0.736 116.460 115.700 0.040 0.000 2.566 431 S HA 0.634 5.105 4.470 0.002 0.000 0.298 431 S C -2.596 171.996 174.600 -0.013 0.000 1.083 431 S CA -1.287 56.933 58.200 0.033 0.000 0.978 431 S CB 1.196 64.460 63.200 0.106 0.000 1.073 431 S HN -0.052 nan 8.310 nan 0.000 0.491 432 P HA 0.162 nan 4.420 nan 0.000 0.266 432 P C 0.383 177.629 177.300 -0.091 0.000 1.193 432 P CA 0.013 63.080 63.100 -0.055 0.000 0.770 432 P CB 0.397 32.063 31.700 -0.055 0.000 0.836 433 E N 1.134 121.288 120.200 -0.076 0.000 2.299 433 E HA -0.061 4.291 4.350 0.002 0.000 0.193 433 E C -0.083 176.453 176.600 -0.106 0.000 0.998 433 E CA 0.992 57.337 56.400 -0.092 0.000 0.851 433 E CB 0.334 29.998 29.700 -0.061 0.000 0.795 433 E HN 0.577 nan 8.360 nan 0.000 0.492 434 E N 1.074 121.222 120.200 -0.087 0.000 3.132 434 E HA 0.239 4.590 4.350 0.002 0.000 0.241 434 E C -2.494 174.060 176.600 -0.075 0.000 1.196 434 E CA -1.524 54.827 56.400 -0.081 0.000 0.869 434 E CB 1.396 31.063 29.700 -0.055 0.000 1.387 434 E HN 0.000 nan 8.360 nan 0.000 0.393 435 P HA -0.088 nan 4.420 nan 0.000 0.267 435 P C 0.091 177.357 177.300 -0.056 0.000 1.201 435 P CA 0.144 63.194 63.100 -0.082 0.000 0.775 435 P CB 0.603 32.231 31.700 -0.120 0.000 0.854 436 S N 1.612 117.290 115.700 -0.036 0.000 2.626 436 S HA 0.219 4.690 4.470 0.002 0.000 0.257 436 S C -0.036 174.552 174.600 -0.020 0.000 1.288 436 S CA -0.714 57.473 58.200 -0.021 0.000 0.980 436 S CB 0.119 63.313 63.200 -0.010 0.000 0.975 436 S HN 0.350 nan 8.310 nan 0.000 0.577 437 L N 2.110 123.328 121.223 -0.008 0.000 2.260 437 L HA 0.413 4.754 4.340 0.002 0.000 0.289 437 L C 0.511 177.385 176.870 0.006 0.000 1.057 437 L CA 0.225 55.065 54.840 -0.001 0.000 0.811 437 L CB 0.762 42.825 42.059 0.006 0.000 1.184 437 L HN 0.896 nan 8.230 nan 0.000 0.429 438 S N 4.463 120.168 115.700 0.008 0.000 2.563 438 S HA 0.044 4.515 4.470 0.002 0.000 0.284 438 S C 1.583 176.193 174.600 0.016 0.000 1.331 438 S CA 0.298 58.508 58.200 0.017 0.000 1.047 438 S CB 0.423 63.637 63.200 0.024 0.000 0.859 438 S HN 0.825 nan 8.310 nan 0.000 0.514 439 R N 3.857 124.366 120.500 0.016 0.000 2.237 439 R HA -0.052 4.290 4.340 0.002 0.000 0.219 439 R C 1.750 178.052 176.300 0.003 0.000 1.080 439 R CA 1.584 57.689 56.100 0.008 0.000 0.995 439 R CB -0.392 29.911 30.300 0.005 0.000 0.875 439 R HN 0.703 nan 8.270 nan 0.000 0.462 440 M N 1.423 121.024 119.600 0.002 0.000 2.319 440 M HA 0.051 4.532 4.480 0.002 0.000 0.265 440 M C 0.489 176.790 176.300 0.002 0.000 1.068 440 M CA 0.611 55.904 55.300 -0.011 0.000 1.118 440 M CB 0.380 32.967 32.600 -0.021 0.000 1.395 440 M HN 0.130 nan 8.290 nan 0.000 0.435 441 V N -2.684 117.237 119.914 0.012 0.000 2.876 441 V HA 0.637 4.758 4.120 0.002 0.000 0.312 441 V C -0.069 176.053 176.094 0.046 0.000 1.085 441 V CA -1.027 61.292 62.300 0.031 0.000 0.945 441 V CB 1.369 33.213 31.823 0.034 0.000 1.017 441 V HN 0.255 nan 8.190 nan 0.000 0.428 442 T N -0.794 113.797 114.554 0.061 0.000 2.847 442 T HA 0.441 4.792 4.350 0.002 0.000 0.279 442 T C 0.794 175.536 174.700 0.070 0.000 0.984 442 T CA 0.563 62.698 62.100 0.058 0.000 0.988 442 T CB 1.603 70.506 68.868 0.059 0.000 1.040 442 T HN 0.919 nan 8.240 nan 0.000 0.528 443 E N 0.325 120.559 120.200 0.056 0.000 2.106 443 E HA -0.107 4.244 4.350 0.002 0.000 0.192 443 E C 1.809 178.455 176.600 0.076 0.000 0.984 443 E CA 1.376 57.810 56.400 0.056 0.000 0.806 443 E CB -0.383 29.340 29.700 0.038 0.000 0.750 443 E HN 0.744 nan 8.360 nan 0.000 0.458 444 E N 0.758 121.004 120.200 0.077 0.000 2.051 444 E HA -0.168 4.183 4.350 0.002 0.000 0.192 444 E C 2.001 178.684 176.600 0.137 0.000 0.991 444 E CA 1.619 58.070 56.400 0.086 0.000 0.799 444 E CB -0.255 29.486 29.700 0.069 0.000 0.748 444 E HN 0.442 nan 8.360 nan 0.000 0.449 445 E N 0.211 120.516 120.200 0.176 0.000 2.085 445 E HA -0.171 4.181 4.350 0.002 0.000 0.194 445 E C 1.969 178.807 176.600 0.397 0.000 0.994 445 E CA 0.722 57.309 56.400 0.313 0.000 0.801 445 E CB -0.119 29.744 29.700 0.272 0.000 0.743 445 E HN 0.169 nan 8.360 nan 0.000 0.453 446 I N 1.453 122.184 120.570 0.268 0.000 2.163 446 I HA -0.251 3.920 4.170 0.002 0.000 0.243 446 I C 2.314 178.555 176.117 0.205 0.000 1.085 446 I CA 1.411 62.854 61.300 0.238 0.000 1.347 446 I CB -0.919 37.156 38.000 0.125 0.000 1.044 446 I HN 0.166 nan 8.210 nan 0.000 0.408 447 Q N -0.560 119.328 119.800 0.147 0.000 2.226 447 Q HA -0.186 4.155 4.340 0.002 0.000 0.204 447 Q C 2.113 178.138 176.000 0.043 0.000 0.975 447 Q CA 1.131 56.987 55.803 0.089 0.000 0.866 447 Q CB -0.668 28.107 28.738 0.061 0.000 0.915 447 Q HN 0.470 nan 8.270 nan 0.000 0.440 448 F N 0.165 120.064 119.950 -0.085 0.000 2.102 448 F HA -0.251 4.278 4.527 0.002 0.000 0.298 448 F C 1.739 177.371 175.800 -0.281 0.000 1.105 448 F CA 1.264 59.095 58.000 -0.281 0.000 1.239 448 F CB -0.327 38.301 39.000 -0.620 0.000 0.991 448 F HN -0.006 nan 8.300 nan 0.000 0.474 449 Y N -0.348 119.860 120.300 -0.153 0.000 2.145 449 Y HA -0.229 4.322 4.550 0.002 0.000 0.286 449 Y C 2.540 178.252 175.900 -0.314 0.000 1.145 449 Y CA 1.701 59.561 58.100 -0.400 0.000 1.148 449 Y CB -1.189 36.717 38.460 -0.924 0.000 0.981 449 Y HN -0.118 nan 8.280 nan 0.000 0.507 450 V N 0.963 120.875 119.914 -0.004 0.000 2.231 450 V HA -0.414 3.707 4.120 0.002 0.000 0.250 450 V C 2.282 178.426 176.094 0.083 0.000 1.058 450 V CA 2.551 64.949 62.300 0.163 0.000 1.022 450 V CB -1.046 30.856 31.823 0.131 0.000 0.640 450 V HN 0.586 nan 8.190 nan 0.000 0.445 451 Q N -0.745 119.006 119.800 -0.083 0.000 2.124 451 Q HA -0.237 4.104 4.340 0.002 0.000 0.202 451 Q C 2.124 178.010 176.000 -0.191 0.000 0.977 451 Q CA 1.492 57.211 55.803 -0.141 0.000 0.850 451 Q CB -0.449 28.159 28.738 -0.217 0.000 0.901 451 Q HN 0.545 nan 8.270 nan 0.000 0.429 452 Q N 0.378 119.986 119.800 -0.321 0.000 2.050 452 Q HA -0.089 4.252 4.340 0.002 0.000 0.202 452 Q C 1.812 177.700 176.000 -0.188 0.000 0.980 452 Q CA 1.257 56.867 55.803 -0.321 0.000 0.840 452 Q CB -0.245 28.235 28.738 -0.430 0.000 0.898 452 Q HN 0.453 nan 8.270 nan 0.000 0.424 453 F N 1.075 120.974 119.950 -0.085 0.000 2.604 453 F HA -0.013 4.515 4.527 0.002 0.000 0.298 453 F C 2.080 177.897 175.800 0.029 0.000 1.131 453 F CA 0.618 58.616 58.000 -0.003 0.000 1.457 453 F CB 0.034 39.131 39.000 0.162 0.000 1.095 453 F HN -0.014 nan 8.300 nan 0.000 0.574 454 K N 0.235 120.713 120.400 0.131 0.000 2.288 454 K HA -0.126 4.195 4.320 0.002 0.000 0.201 454 K C 1.778 178.392 176.600 0.022 0.000 1.048 454 K CA 0.844 57.180 56.287 0.083 0.000 0.956 454 K CB 0.037 32.562 32.500 0.042 0.000 0.746 454 K HN 0.298 nan 8.250 nan 0.000 0.461 455 K N -0.182 120.198 120.400 -0.033 0.000 1.991 455 K HA -0.015 4.306 4.320 0.002 0.000 0.207 455 K C 1.760 178.336 176.600 -0.041 0.000 1.045 455 K CA 1.458 57.715 56.287 -0.051 0.000 0.937 455 K CB 0.033 32.481 32.500 -0.087 0.000 0.720 455 K HN -0.116 nan 8.250 nan 0.000 0.438 456 S N -0.561 115.090 115.700 -0.083 0.000 2.578 456 S HA 0.257 4.728 4.470 0.002 0.000 0.228 456 S C 0.449 175.028 174.600 -0.035 0.000 1.022 456 S CA 0.059 58.221 58.200 -0.063 0.000 0.967 456 S CB 1.054 64.200 63.200 -0.090 0.000 0.914 456 S HN 0.615 nan 8.310 nan 0.000 0.515 457 G N 1.711 110.517 108.800 0.009 0.000 2.645 457 G HA2 -0.259 3.702 3.960 0.002 0.000 0.239 457 G HA3 -0.259 3.702 3.960 0.002 0.000 0.239 457 G C -0.074 174.868 174.900 0.070 0.000 1.331 457 G CA -0.018 45.188 45.100 0.176 0.000 0.890 457 G HN 0.302 nan 8.290 nan 0.000 0.572 458 F N 0.763 120.770 119.950 0.094 0.000 2.695 458 F HA 0.325 4.853 4.527 0.002 0.000 0.303 458 F C 2.455 178.249 175.800 -0.010 0.000 1.091 458 F CA 0.737 58.784 58.000 0.078 0.000 1.300 458 F CB 0.170 39.215 39.000 0.075 0.000 1.071 458 F HN 0.477 nan 8.300 nan 0.000 0.578 459 R N 0.668 121.219 120.500 0.085 0.000 2.082 459 R HA -0.119 4.222 4.340 0.002 0.000 0.234 459 R C 2.513 178.722 176.300 -0.151 0.000 1.136 459 R CA 1.845 57.940 56.100 -0.009 0.000 0.935 459 R CB -0.943 29.355 30.300 -0.003 0.000 0.842 459 R HN 0.369 nan 8.270 nan 0.000 0.430 460 G N 0.753 109.426 108.800 -0.211 0.000 2.459 460 G HA2 -0.195 3.766 3.960 0.002 0.000 0.217 460 G HA3 -0.195 3.766 3.960 0.002 0.000 0.217 460 G C -1.023 173.574 174.900 -0.505 0.000 1.183 460 G CA 0.666 45.462 45.100 -0.508 0.000 0.776 460 G HN 0.363 nan 8.290 nan 0.000 0.552 461 P HA -0.058 nan 4.420 nan 0.000 0.215 461 P C 2.009 179.478 177.300 0.281 0.000 1.153 461 P CA 0.779 63.785 63.100 -0.157 0.000 0.853 461 P CB -0.115 31.356 31.700 -0.382 0.000 0.788 462 L N -1.282 120.073 121.223 0.220 0.000 2.217 462 L HA -0.105 4.237 4.340 0.002 0.000 0.211 462 L C 1.859 178.785 176.870 0.093 0.000 1.107 462 L CA 1.012 55.940 54.840 0.146 0.000 0.783 462 L CB -0.833 41.217 42.059 -0.015 0.000 0.919 462 L HN -0.045 nan 8.230 nan 0.000 0.442 463 N N -0.725 117.904 118.700 -0.118 0.000 2.430 463 N HA -0.204 4.537 4.740 0.002 0.000 0.186 463 N C 1.344 176.785 175.510 -0.116 0.000 1.032 463 N CA 0.974 53.897 53.050 -0.212 0.000 0.893 463 N CB -0.251 37.860 38.487 -0.627 0.000 0.957 463 N HN 0.351 nan 8.380 nan 0.000 0.442 464 W N -0.143 120.932 121.300 -0.375 0.000 2.392 464 W HA -0.039 4.623 4.660 0.002 0.000 0.279 464 W C 1.209 177.278 176.519 -0.750 0.000 1.225 464 W CA 0.525 57.475 57.345 -0.659 0.000 1.233 464 W CB -0.636 28.166 29.460 -1.097 0.000 1.122 464 W HN 0.174 nan 8.180 nan 0.000 0.561 465 Y N -0.827 119.419 120.300 -0.089 0.000 2.482 465 Y HA 0.110 4.662 4.550 0.002 0.000 0.270 465 Y C 1.523 177.473 175.900 0.084 0.000 1.152 465 Y CA 0.634 58.816 58.100 0.137 0.000 1.292 465 Y CB -0.206 38.391 38.460 0.227 0.000 1.070 465 Y HN -0.225 nan 8.280 nan 0.000 0.528 466 R N 0.454 121.043 120.500 0.147 0.000 2.702 466 R HA 0.167 4.508 4.340 0.002 0.000 0.314 466 R C -0.054 176.275 176.300 0.048 0.000 1.152 466 R CA 0.081 56.233 56.100 0.088 0.000 1.097 466 R CB -0.152 30.178 30.300 0.050 0.000 1.343 466 R HN 0.217 nan 8.270 nan 0.000 0.575 467 N N 0.294 119.024 118.700 0.049 0.000 2.466 467 N HA 0.117 4.858 4.740 0.002 0.000 0.272 467 N C 0.769 176.328 175.510 0.080 0.000 1.455 467 N CA -0.002 53.066 53.050 0.030 0.000 0.875 467 N CB 0.674 39.137 38.487 -0.040 0.000 1.372 467 N HN 0.138 nan 8.380 nan 0.000 0.492 468 M N 0.228 119.893 119.600 0.109 0.000 2.073 468 M HA -0.162 4.319 4.480 0.002 0.000 0.258 468 M C 1.630 178.027 176.300 0.162 0.000 1.070 468 M CA 1.682 57.060 55.300 0.131 0.000 1.103 468 M CB -0.190 32.459 32.600 0.083 0.000 1.321 468 M HN 0.038 nan 8.290 nan 0.000 0.405 469 E N 0.313 120.592 120.200 0.131 0.000 2.058 469 E HA -0.170 4.181 4.350 0.002 0.000 0.194 469 E C 2.043 178.808 176.600 0.276 0.000 0.997 469 E CA 1.354 57.876 56.400 0.204 0.000 0.801 469 E CB -0.475 29.303 29.700 0.131 0.000 0.746 469 E HN 0.490 nan 8.360 nan 0.000 0.450 470 R N 0.497 121.093 120.500 0.161 0.000 2.073 470 R HA -0.088 4.253 4.340 0.002 0.000 0.234 470 R C 2.073 178.461 176.300 0.147 0.000 1.134 470 R CA 1.281 57.451 56.100 0.117 0.000 0.952 470 R CB -0.095 30.218 30.300 0.020 0.000 0.850 470 R HN 0.132 nan 8.270 nan 0.000 0.433 471 N N -0.261 118.525 118.700 0.143 0.000 2.166 471 N HA -0.206 4.536 4.740 0.002 0.000 0.186 471 N C 1.207 176.867 175.510 0.251 0.000 1.019 471 N CA 1.028 54.177 53.050 0.165 0.000 0.856 471 N CB -0.427 38.135 38.487 0.124 0.000 0.993 471 N HN 0.324 nan 8.380 nan 0.000 0.426 472 W N 2.449 123.804 121.300 0.091 0.000 2.353 472 W HA -0.100 4.561 4.660 0.002 0.000 0.319 472 W C 1.948 178.540 176.519 0.121 0.000 1.207 472 W CA 1.487 58.886 57.345 0.089 0.000 1.291 472 W CB -0.309 29.190 29.460 0.065 0.000 1.159 472 W HN -0.056 nan 8.180 nan 0.000 0.478 473 K N -1.171 119.244 120.400 0.025 0.000 2.103 473 K HA -0.246 4.075 4.320 0.002 0.000 0.207 473 K C 1.896 178.486 176.600 -0.017 0.000 1.048 473 K CA 1.818 57.998 56.287 -0.179 0.000 0.930 473 K CB -0.975 31.543 32.500 0.029 0.000 0.716 473 K HN 0.245 nan 8.250 nan 0.000 0.444 474 W N 1.512 122.766 121.300 -0.077 0.000 2.378 474 W HA -0.138 4.523 4.660 0.002 0.000 0.313 474 W C 2.272 178.853 176.519 0.103 0.000 1.197 474 W CA 1.825 59.150 57.345 -0.033 0.000 1.304 474 W CB -0.626 28.754 29.460 -0.134 0.000 1.148 474 W HN 0.069 nan 8.180 nan 0.000 0.494 475 A N -0.567 122.307 122.820 0.090 0.000 1.978 475 A HA -0.249 4.072 4.320 0.002 0.000 0.220 475 A C 1.994 179.589 177.584 0.018 0.000 1.170 475 A CA 1.910 54.027 52.037 0.134 0.000 0.636 475 A CB -1.525 17.612 19.000 0.227 0.000 0.810 475 A HN 0.402 nan 8.150 nan 0.000 0.448 476 C N -0.416 118.795 119.300 -0.148 0.000 2.410 476 C HA -0.083 4.378 4.460 0.002 0.000 0.281 476 C C 2.509 177.429 174.990 -0.118 0.000 1.318 476 C CA 1.231 60.126 59.018 -0.205 0.000 1.776 476 C CB -1.123 26.361 27.740 -0.425 0.000 1.942 476 C HN 0.599 nan 8.230 nan 0.000 0.508 477 K N 1.157 121.504 120.400 -0.088 0.000 2.362 477 K HA -0.094 4.228 4.320 0.002 0.000 0.200 477 K C 1.841 178.333 176.600 -0.181 0.000 1.046 477 K CA 1.630 57.863 56.287 -0.090 0.000 0.952 477 K CB -0.153 32.331 32.500 -0.027 0.000 0.753 477 K HN 0.665 nan 8.250 nan 0.000 0.466 478 S N -0.038 115.545 115.700 -0.194 0.000 2.539 478 S HA 0.144 4.616 4.470 0.002 0.000 0.221 478 S C 1.634 176.198 174.600 -0.060 0.000 0.987 478 S CA -0.311 57.721 58.200 -0.280 0.000 0.929 478 S CB -0.146 62.778 63.200 -0.459 0.000 0.832 478 S HN 0.133 nan 8.310 nan 0.000 0.492 479 L N 1.244 122.480 121.223 0.021 0.000 2.263 479 L HA -0.044 4.297 4.340 0.002 0.000 0.216 479 L C 2.534 179.574 176.870 0.283 0.000 1.111 479 L CA 1.388 56.350 54.840 0.203 0.000 0.773 479 L CB -0.642 41.503 42.059 0.144 0.000 0.906 479 L HN 0.606 nan 8.230 nan 0.000 0.439 480 G N -0.861 107.997 108.800 0.096 0.000 2.880 480 G HA2 0.042 4.003 3.960 0.002 0.000 0.209 480 G HA3 0.042 4.003 3.960 0.002 0.000 0.209 480 G C 0.906 175.820 174.900 0.024 0.000 1.157 480 G CA -0.342 44.783 45.100 0.041 0.000 0.779 480 G HN 0.246 nan 8.290 nan 0.000 0.539 481 R N -0.348 120.178 120.500 0.043 0.000 2.517 481 R HA 0.728 5.069 4.340 0.002 0.000 0.250 481 R C -0.388 175.967 176.300 0.091 0.000 1.213 481 R CA -0.242 55.852 56.100 -0.009 0.000 1.146 481 R CB 0.654 30.872 30.300 -0.137 0.000 1.279 481 R HN -0.046 nan 8.270 nan 0.000 0.597 482 K N 0.191 120.600 120.400 0.016 0.000 2.551 482 K HA 0.378 4.699 4.320 0.002 0.000 0.269 482 K C -1.115 175.469 176.600 -0.027 0.000 0.949 482 K CA -0.648 55.668 56.287 0.047 0.000 0.849 482 K CB 2.191 34.684 32.500 -0.011 0.000 1.411 482 K HN 0.354 nan 8.250 nan 0.000 0.432 483 I N 3.834 124.383 120.570 -0.035 0.000 2.301 483 I HA 0.131 4.302 4.170 0.002 0.000 0.292 483 I C 0.628 176.761 176.117 0.026 0.000 1.046 483 I CA -0.114 61.163 61.300 -0.039 0.000 1.282 483 I CB 0.431 38.385 38.000 -0.077 0.000 1.409 483 I HN 0.419 nan 8.210 nan 0.000 0.484 484 L N 7.172 128.422 121.223 0.044 0.000 2.808 484 L HA 0.343 4.684 4.340 0.002 0.000 0.246 484 L C 0.644 177.590 176.870 0.127 0.000 1.153 484 L CA -0.056 54.837 54.840 0.088 0.000 0.956 484 L CB -0.031 42.067 42.059 0.064 0.000 1.270 484 L HN 0.563 nan 8.230 nan 0.000 0.528 485 I N -3.020 117.625 120.570 0.124 0.000 2.934 485 I HA 0.495 4.666 4.170 0.002 0.000 0.315 485 I C -2.235 174.001 176.117 0.198 0.000 0.997 485 I CA -2.442 58.942 61.300 0.139 0.000 1.184 485 I CB 0.072 38.148 38.000 0.127 0.000 1.400 485 I HN -0.204 nan 8.210 nan 0.000 0.549 486 P HA 0.233 nan 4.420 nan 0.000 0.267 486 P C -1.133 176.442 177.300 0.458 0.000 1.209 486 P CA 0.111 63.387 63.100 0.293 0.000 0.763 486 P CB 0.689 32.493 31.700 0.173 0.000 0.816 487 A N 3.887 126.998 122.820 0.486 0.000 2.449 487 A HA 0.714 5.036 4.320 0.002 0.000 0.302 487 A C -1.529 176.219 177.584 0.273 0.000 1.048 487 A CA -0.714 51.585 52.037 0.436 0.000 0.708 487 A CB 1.269 20.551 19.000 0.470 0.000 1.274 487 A HN 0.576 nan 8.150 nan 0.000 0.410 488 L N 2.689 123.844 121.223 -0.114 0.000 2.386 488 L HA 0.809 5.150 4.340 0.002 0.000 0.271 488 L C -1.376 175.431 176.870 -0.104 0.000 0.993 488 L CA -0.815 53.773 54.840 -0.420 0.000 0.819 488 L CB 1.994 43.120 42.059 -1.554 0.000 1.294 488 L HN 0.937 nan 8.230 nan 0.000 0.414 489 M N 5.553 125.174 119.600 0.035 0.000 2.197 489 M HA 0.452 4.933 4.480 0.002 0.000 0.301 489 M C -1.818 174.524 176.300 0.071 0.000 0.987 489 M CA -0.334 55.068 55.300 0.170 0.000 0.921 489 M CB 1.536 34.285 32.600 0.247 0.000 1.569 489 M HN 0.191 nan 8.290 nan 0.000 0.431 490 V N 4.571 124.518 119.914 0.055 0.000 2.334 490 V HA 0.570 4.691 4.120 0.002 0.000 0.281 490 V C 0.111 176.240 176.094 0.058 0.000 1.016 490 V CA -0.603 61.719 62.300 0.036 0.000 0.832 490 V CB 1.123 32.944 31.823 -0.003 0.000 0.999 490 V HN 0.921 nan 8.190 nan 0.000 0.439 491 T N 2.038 116.641 114.554 0.082 0.000 2.922 491 T HA 0.793 5.144 4.350 0.002 0.000 0.285 491 T C -0.056 174.605 174.700 -0.065 0.000 1.005 491 T CA -0.512 61.639 62.100 0.085 0.000 1.061 491 T CB 1.916 70.914 68.868 0.217 0.000 1.007 491 T HN 0.923 nan 8.240 nan 0.000 0.502 492 A N 1.417 124.190 122.820 -0.079 0.000 2.285 492 A HA 0.453 4.774 4.320 0.002 0.000 0.310 492 A C 1.074 178.568 177.584 -0.151 0.000 1.266 492 A CA -0.756 51.168 52.037 -0.188 0.000 0.832 492 A CB 0.477 19.393 19.000 -0.140 0.000 1.163 492 A HN 1.106 nan 8.150 nan 0.000 0.499 493 E N 2.305 122.375 120.200 -0.217 0.000 2.068 493 E HA -0.237 4.114 4.350 0.002 0.000 0.207 493 E C 0.615 177.163 176.600 -0.086 0.000 1.032 493 E CA 1.714 58.117 56.400 0.004 0.000 0.839 493 E CB 0.023 29.749 29.700 0.043 0.000 0.758 493 E HN 0.552 nan 8.360 nan 0.000 0.457 494 K N 1.272 121.529 120.400 -0.238 0.000 2.551 494 K HA 0.037 4.359 4.320 0.002 0.000 0.204 494 K C -0.280 175.730 176.600 -0.983 0.000 1.033 494 K CA 0.048 55.972 56.287 -0.604 0.000 1.187 494 K CB 0.052 32.305 32.500 -0.412 0.000 0.900 494 K HN 0.135 nan 8.250 nan 0.000 0.499 495 D N 0.589 120.681 120.400 -0.513 0.000 2.352 495 D HA 0.056 4.697 4.640 0.002 0.000 0.245 495 D C 0.207 176.339 176.300 -0.279 0.000 1.224 495 D CA -0.340 53.450 54.000 -0.351 0.000 0.879 495 D CB 0.065 40.795 40.800 -0.116 0.000 1.057 495 D HN 0.064 nan 8.370 nan 0.000 0.491 496 F N 2.499 122.453 119.950 0.006 0.000 2.811 496 F HA -0.025 4.503 4.527 0.002 0.000 0.301 496 F C 1.913 177.693 175.800 -0.033 0.000 1.151 496 F CA -0.356 57.639 58.000 -0.007 0.000 1.412 496 F CB 0.534 39.539 39.000 0.008 0.000 1.113 496 F HN 0.295 nan 8.300 nan 0.000 0.579 497 V N -0.050 119.911 119.914 0.079 0.000 2.743 497 V HA 0.201 4.322 4.120 0.002 0.000 0.237 497 V C 0.734 176.868 176.094 0.066 0.000 1.113 497 V CA 0.606 62.938 62.300 0.053 0.000 1.141 497 V CB 0.330 32.154 31.823 0.001 0.000 0.873 497 V HN 0.103 nan 8.190 nan 0.000 0.486 498 L N 2.447 123.717 121.223 0.079 0.000 2.475 498 L HA 0.400 4.741 4.340 0.002 0.000 0.253 498 L C -0.416 176.487 176.870 0.054 0.000 1.137 498 L CA -0.476 54.425 54.840 0.101 0.000 1.058 498 L CB 1.013 43.144 42.059 0.120 0.000 1.382 498 L HN 0.092 nan 8.230 nan 0.000 0.416 499 V N 3.433 123.368 119.914 0.034 0.000 2.740 499 V HA 0.041 4.162 4.120 0.002 0.000 0.303 499 V C -1.031 175.086 176.094 0.039 0.000 1.054 499 V CA -0.844 61.480 62.300 0.040 0.000 1.106 499 V CB 1.088 32.935 31.823 0.040 0.000 0.957 499 V HN 0.428 nan 8.190 nan 0.000 0.486 500 P HA -0.246 nan 4.420 nan 0.000 0.216 500 P C 1.690 179.005 177.300 0.025 0.000 1.157 500 P CA 1.589 64.734 63.100 0.074 0.000 0.880 500 P CB 0.052 31.831 31.700 0.132 0.000 0.791 501 Q N -1.156 118.645 119.800 0.002 0.000 2.297 501 Q HA -0.135 4.206 4.340 0.002 0.000 0.208 501 Q C 1.853 177.802 176.000 -0.086 0.000 0.981 501 Q CA 1.507 57.284 55.803 -0.043 0.000 0.876 501 Q CB -1.078 27.635 28.738 -0.042 0.000 0.921 501 Q HN 0.233 nan 8.270 nan 0.000 0.446 502 M N 1.021 120.587 119.600 -0.056 0.000 2.446 502 M HA -0.073 4.409 4.480 0.002 0.000 0.263 502 M C 1.543 177.789 176.300 -0.091 0.000 1.066 502 M CA 1.510 56.766 55.300 -0.073 0.000 1.087 502 M CB -0.041 32.547 32.600 -0.020 0.000 1.406 502 M HN 0.486 nan 8.290 nan 0.000 0.459 503 S N -0.562 115.103 115.700 -0.058 0.000 2.540 503 S HA -0.022 4.449 4.470 0.002 0.000 0.218 503 S C 1.530 176.101 174.600 -0.049 0.000 0.977 503 S CA -0.335 57.839 58.200 -0.043 0.000 0.918 503 S CB -0.275 62.937 63.200 0.020 0.000 0.806 503 S HN 0.628 nan 8.310 nan 0.000 0.496 504 Q N 1.119 120.851 119.800 -0.113 0.000 2.234 504 Q HA -0.202 4.139 4.340 0.002 0.000 0.206 504 Q C 1.308 177.336 176.000 0.046 0.000 0.980 504 Q CA 1.906 57.662 55.803 -0.077 0.000 0.869 504 Q CB -0.990 27.664 28.738 -0.140 0.000 0.912 504 Q HN 0.848 nan 8.270 nan 0.000 0.436 505 H N -0.319 118.771 119.070 0.033 0.000 2.563 505 H HA 0.215 4.772 4.556 0.002 0.000 0.264 505 H C 1.793 177.189 175.328 0.112 0.000 0.957 505 H CA 0.146 56.232 56.048 0.062 0.000 1.173 505 H CB 0.149 29.960 29.762 0.081 0.000 1.420 505 H HN 0.187 nan 8.280 nan 0.000 0.551 506 M N 0.694 120.401 119.600 0.178 0.000 2.192 506 M HA -0.261 4.220 4.480 0.002 0.000 0.256 506 M C 1.649 178.055 176.300 0.177 0.000 1.076 506 M CA 1.572 56.967 55.300 0.159 0.000 1.075 506 M CB -0.159 32.446 32.600 0.007 0.000 1.368 506 M HN 0.262 nan 8.290 nan 0.000 0.406 507 E N 0.597 120.865 120.200 0.114 0.000 2.209 507 E HA -0.180 4.171 4.350 0.002 0.000 0.196 507 E C 1.425 178.034 176.600 0.015 0.000 0.993 507 E CA 1.142 57.576 56.400 0.056 0.000 0.819 507 E CB -0.274 29.448 29.700 0.036 0.000 0.745 507 E HN 0.451 nan 8.360 nan 0.000 0.477 508 D N -1.367 119.047 120.400 0.023 0.000 2.264 508 D HA -0.137 4.504 4.640 0.002 0.000 0.208 508 D C 0.822 176.935 176.300 -0.312 0.000 0.966 508 D CA 0.815 54.709 54.000 -0.178 0.000 0.864 508 D CB -0.124 40.525 40.800 -0.252 0.000 0.933 508 D HN 0.398 nan 8.370 nan 0.000 0.499 509 W N -0.089 121.204 121.300 -0.012 0.000 2.975 509 W HA 0.373 5.034 4.660 0.002 0.000 0.316 509 W C 0.347 176.812 176.519 -0.090 0.000 1.131 509 W CA -0.200 57.136 57.345 -0.015 0.000 1.624 509 W CB 0.674 30.214 29.460 0.133 0.000 1.038 509 W HN -0.240 nan 8.180 nan 0.000 0.571 510 I N 0.639 121.269 120.570 0.099 0.000 2.867 510 I HA 0.196 4.367 4.170 0.002 0.000 0.282 510 I C -1.929 174.164 176.117 -0.041 0.000 1.437 510 I CA -1.746 59.563 61.300 0.017 0.000 0.918 510 I CB 1.507 39.514 38.000 0.011 0.000 1.612 510 I HN -0.345 nan 8.210 nan 0.000 0.592 511 P HA -0.208 nan 4.420 nan 0.000 0.217 511 P C 0.898 178.019 177.300 -0.298 0.000 1.158 511 P CA 1.692 64.603 63.100 -0.314 0.000 0.887 511 P CB 0.003 31.365 31.700 -0.564 0.000 0.792 512 H N -1.789 117.320 119.070 0.065 0.000 2.537 512 H HA 0.198 4.755 4.556 0.002 0.000 0.295 512 H C 0.610 176.008 175.328 0.116 0.000 1.054 512 H CA -0.901 55.197 56.048 0.083 0.000 1.156 512 H CB -0.910 28.901 29.762 0.082 0.000 1.468 512 H HN 0.118 nan 8.280 nan 0.000 0.551 513 L N 1.839 123.156 121.223 0.157 0.000 2.540 513 L HA 0.012 4.354 4.340 0.002 0.000 0.276 513 L C 0.263 177.234 176.870 0.169 0.000 1.212 513 L CA 0.452 55.392 54.840 0.167 0.000 0.893 513 L CB 0.395 42.520 42.059 0.110 0.000 1.138 513 L HN -0.011 nan 8.230 nan 0.000 0.491 514 K N 5.103 125.616 120.400 0.189 0.000 2.123 514 K HA 0.606 4.927 4.320 0.002 0.000 0.248 514 K C -0.480 176.179 176.600 0.100 0.000 0.969 514 K CA -0.843 55.543 56.287 0.165 0.000 0.882 514 K CB 1.560 34.206 32.500 0.244 0.000 1.080 514 K HN 0.637 nan 8.250 nan 0.000 0.441 515 R N -0.687 119.865 120.500 0.088 0.000 2.930 515 R HA 0.646 4.987 4.340 0.002 0.000 0.257 515 R C -0.753 175.585 176.300 0.063 0.000 1.107 515 R CA -0.994 55.147 56.100 0.069 0.000 0.999 515 R CB 2.126 32.473 30.300 0.079 0.000 1.209 515 R HN 0.771 nan 8.270 nan 0.000 0.486 516 G N -0.175 108.668 108.800 0.070 0.000 2.742 516 G HA2 0.431 4.392 3.960 0.002 0.000 0.296 516 G HA3 0.431 4.392 3.960 0.002 0.000 0.296 516 G C -2.253 172.722 174.900 0.126 0.000 1.436 516 G CA -0.331 44.815 45.100 0.077 0.000 0.928 516 G HN 0.584 nan 8.290 nan 0.000 0.520 517 H N 0.559 119.638 119.070 0.016 0.000 2.966 517 H HA 0.630 5.187 4.556 0.002 0.000 0.347 517 H C -1.077 174.253 175.328 0.004 0.000 1.048 517 H CA -0.656 55.398 56.048 0.010 0.000 1.295 517 H CB 1.355 31.126 29.762 0.014 0.000 1.744 517 H HN 0.439 nan 8.280 nan 0.000 0.513 518 I N 4.520 124.778 120.570 -0.521 0.000 2.362 518 I HA 0.247 4.418 4.170 0.002 0.000 0.289 518 I C -0.021 175.837 176.117 -0.431 0.000 0.994 518 I CA -0.638 60.464 61.300 -0.330 0.000 1.158 518 I CB 1.685 39.563 38.000 -0.203 0.000 1.315 518 I HN 0.573 nan 8.210 nan 0.000 0.451 519 E N 3.479 123.560 120.200 -0.197 0.000 2.318 519 E HA 0.093 4.444 4.350 0.002 0.000 0.265 519 E C -0.221 176.334 176.600 -0.075 0.000 1.069 519 E CA -0.439 55.908 56.400 -0.088 0.000 0.893 519 E CB 0.577 30.299 29.700 0.038 0.000 1.076 519 E HN 0.578 nan 8.360 nan 0.000 0.414 520 D N 0.315 120.690 120.400 -0.042 0.000 2.701 520 D HA -0.210 4.431 4.640 0.002 0.000 0.235 520 D C -1.625 174.633 176.300 -0.070 0.000 1.155 520 D CA 0.469 54.448 54.000 -0.035 0.000 0.649 520 D CB -0.912 39.881 40.800 -0.010 0.000 1.050 520 D HN 0.381 nan 8.370 nan 0.000 0.425 521 C N 0.719 119.949 119.300 -0.117 0.000 2.396 521 C HA 0.891 5.352 4.460 0.002 0.000 0.321 521 C C 1.293 176.186 174.990 -0.162 0.000 1.233 521 C CA 0.176 59.117 59.018 -0.128 0.000 1.440 521 C CB 0.534 28.183 27.740 -0.151 0.000 2.110 521 C HN 0.507 nan 8.230 nan 0.000 0.473 522 G N 2.675 111.400 108.800 -0.125 0.000 2.504 522 G HA2 0.159 4.120 3.960 0.002 0.000 0.257 522 G HA3 0.159 4.120 3.960 0.002 0.000 0.257 522 G C 0.661 175.461 174.900 -0.167 0.000 1.451 522 G CA 0.530 45.535 45.100 -0.159 0.000 1.059 522 G HN 1.002 nan 8.290 nan 0.000 0.550 523 H N -1.233 117.640 119.070 -0.327 0.000 2.395 523 H HA -0.020 4.537 4.556 0.002 0.000 0.299 523 H C 0.917 175.989 175.328 -0.427 0.000 1.070 523 H CA 0.903 56.669 56.048 -0.470 0.000 1.356 523 H CB -0.101 29.190 29.762 -0.785 0.000 1.401 523 H HN 0.434 nan 8.280 nan 0.000 0.524 524 W N 2.147 123.389 121.300 -0.096 0.000 1.564 524 W HA 0.196 4.858 4.660 0.002 0.000 0.448 524 W C 1.252 177.552 176.519 -0.364 0.000 0.601 524 W CA -0.033 57.145 57.345 -0.278 0.000 2.326 524 W CB -0.338 29.014 29.460 -0.180 0.000 1.355 524 W HN 0.057 nan 8.180 nan 0.000 0.382 525 T N 0.356 114.720 114.554 -0.317 0.000 2.620 525 T HA -0.378 3.973 4.350 0.002 0.000 0.267 525 T C 1.724 176.261 174.700 -0.272 0.000 1.044 525 T CA 2.194 64.133 62.100 -0.270 0.000 1.161 525 T CB -0.111 68.619 68.868 -0.230 0.000 0.862 525 T HN 0.325 nan 8.240 nan 0.000 0.438 526 Q N 0.324 119.873 119.800 -0.418 0.000 2.061 526 Q HA 0.038 4.379 4.340 0.002 0.000 0.204 526 Q C 2.369 178.270 176.000 -0.164 0.000 0.984 526 Q CA 1.487 57.104 55.803 -0.311 0.000 0.846 526 Q CB -0.351 28.072 28.738 -0.526 0.000 0.902 526 Q HN 0.501 nan 8.270 nan 0.000 0.421 527 M N -0.071 119.421 119.600 -0.181 0.000 2.200 527 M HA -0.159 4.322 4.480 0.002 0.000 0.265 527 M C 1.599 177.829 176.300 -0.118 0.000 1.066 527 M CA 1.107 56.352 55.300 -0.093 0.000 1.127 527 M CB -0.053 32.445 32.600 -0.170 0.000 1.379 527 M HN 0.225 nan 8.290 nan 0.000 0.420 528 D N 0.536 120.873 120.400 -0.105 0.000 2.075 528 D HA -0.085 4.556 4.640 0.002 0.000 0.196 528 D C 0.564 176.784 176.300 -0.133 0.000 0.985 528 D CA 1.201 55.148 54.000 -0.089 0.000 0.834 528 D CB 0.337 41.103 40.800 -0.058 0.000 0.987 528 D HN 0.028 nan 8.370 nan 0.000 0.452 529 K N 0.887 121.201 120.400 -0.142 0.000 2.961 529 K HA 0.213 4.534 4.320 0.002 0.000 0.187 529 K C -1.914 174.595 176.600 -0.152 0.000 1.110 529 K CA -1.431 54.771 56.287 -0.142 0.000 0.968 529 K CB 1.748 34.181 32.500 -0.112 0.000 1.287 529 K HN 0.202 nan 8.250 nan 0.000 0.578 530 P HA -0.169 nan 4.420 nan 0.000 0.215 530 P C 1.054 178.280 177.300 -0.123 0.000 1.153 530 P CA 1.401 64.375 63.100 -0.211 0.000 0.853 530 P CB 0.273 31.638 31.700 -0.558 0.000 0.788 531 T N 0.139 114.608 114.554 -0.142 0.000 2.777 531 T HA -0.110 4.241 4.350 0.002 0.000 0.266 531 T C 1.704 176.380 174.700 -0.040 0.000 1.040 531 T CA 1.593 63.646 62.100 -0.078 0.000 1.141 531 T CB -0.499 68.318 68.868 -0.085 0.000 0.868 531 T HN 0.196 nan 8.240 nan 0.000 0.444 532 E N 0.789 120.958 120.200 -0.051 0.000 2.047 532 E HA -0.031 4.320 4.350 0.002 0.000 0.191 532 E C 2.373 178.967 176.600 -0.011 0.000 0.987 532 E CA 0.499 56.881 56.400 -0.030 0.000 0.799 532 E CB -0.827 28.845 29.700 -0.047 0.000 0.752 532 E HN 0.204 nan 8.360 nan 0.000 0.449 533 V N 1.724 121.626 119.914 -0.019 0.000 2.252 533 V HA -0.370 3.751 4.120 0.002 0.000 0.249 533 V C 1.753 177.877 176.094 0.050 0.000 1.056 533 V CA 2.314 64.623 62.300 0.014 0.000 1.022 533 V CB -0.777 31.054 31.823 0.015 0.000 0.641 533 V HN 0.332 nan 8.190 nan 0.000 0.445 534 N N -0.373 118.358 118.700 0.051 0.000 2.061 534 N HA -0.282 4.459 4.740 0.002 0.000 0.193 534 N C 2.013 177.563 175.510 0.066 0.000 1.030 534 N CA 1.435 54.527 53.050 0.070 0.000 0.856 534 N CB -0.236 38.289 38.487 0.064 0.000 1.023 534 N HN 0.497 nan 8.380 nan 0.000 0.424 535 Q N 1.423 121.253 119.800 0.050 0.000 2.084 535 Q HA -0.145 4.197 4.340 0.002 0.000 0.202 535 Q C 2.012 178.056 176.000 0.073 0.000 0.978 535 Q CA 1.305 57.141 55.803 0.055 0.000 0.844 535 Q CB -0.120 28.640 28.738 0.037 0.000 0.898 535 Q HN 0.474 nan 8.270 nan 0.000 0.426 536 I N 0.485 121.096 120.570 0.068 0.000 2.252 536 I HA -0.290 3.881 4.170 0.002 0.000 0.245 536 I C 2.377 178.573 176.117 0.131 0.000 1.102 536 I CA 0.713 62.063 61.300 0.084 0.000 1.385 536 I CB -0.166 37.863 38.000 0.049 0.000 1.064 536 I HN 0.170 nan 8.210 nan 0.000 0.414 537 L N 0.190 121.484 121.223 0.119 0.000 2.027 537 L HA -0.184 4.158 4.340 0.002 0.000 0.206 537 L C 2.486 179.464 176.870 0.181 0.000 1.074 537 L CA 1.403 56.347 54.840 0.173 0.000 0.745 537 L CB -0.431 41.698 42.059 0.116 0.000 0.898 537 L HN 0.190 nan 8.230 nan 0.000 0.433 538 I N 0.027 120.660 120.570 0.105 0.000 2.286 538 I HA -0.304 3.867 4.170 0.002 0.000 0.248 538 I C 2.726 178.908 176.117 0.108 0.000 1.115 538 I CA 1.279 62.627 61.300 0.079 0.000 1.392 538 I CB -0.328 37.730 38.000 0.096 0.000 1.065 538 I HN 0.281 nan 8.210 nan 0.000 0.418 539 K N 0.634 121.113 120.400 0.132 0.000 2.026 539 K HA -0.269 4.052 4.320 0.002 0.000 0.208 539 K C 2.231 178.929 176.600 0.163 0.000 1.048 539 K CA 1.879 58.244 56.287 0.131 0.000 0.929 539 K CB -0.390 32.187 32.500 0.129 0.000 0.713 539 K HN 0.341 nan 8.250 nan 0.000 0.439 540 W N 1.764 123.074 121.300 0.018 0.000 2.358 540 W HA -0.141 4.520 4.660 0.002 0.000 0.303 540 W C 1.579 178.099 176.519 0.002 0.000 1.208 540 W CA 1.341 58.697 57.345 0.017 0.000 1.274 540 W CB -0.332 29.138 29.460 0.016 0.000 1.138 540 W HN 0.034 nan 8.180 nan 0.000 0.515 541 L N 0.439 121.572 121.223 -0.151 0.000 2.017 541 L HA -0.245 4.096 4.340 0.002 0.000 0.208 541 L C 2.231 178.992 176.870 -0.181 0.000 1.073 541 L CA 1.808 56.383 54.840 -0.443 0.000 0.745 541 L CB -0.940 40.764 42.059 -0.592 0.000 0.894 541 L HN -0.112 nan 8.230 nan 0.000 0.432 542 D N -0.713 119.693 120.400 0.009 0.000 2.218 542 D HA -0.138 4.503 4.640 0.002 0.000 0.204 542 D C 2.298 178.589 176.300 -0.015 0.000 0.976 542 D CA 1.632 55.679 54.000 0.078 0.000 0.853 542 D CB 0.048 40.908 40.800 0.099 0.000 0.939 542 D HN 0.396 nan 8.370 nan 0.000 0.481 543 S N -0.941 114.714 115.700 -0.075 0.000 2.497 543 S HA 0.024 4.495 4.470 0.002 0.000 0.221 543 S C 1.111 175.626 174.600 -0.142 0.000 1.037 543 S CA 0.131 58.288 58.200 -0.072 0.000 0.920 543 S CB 0.440 63.630 63.200 -0.016 0.000 0.800 543 S HN -0.092 nan 8.310 nan 0.000 0.505 544 D N 0.968 121.173 120.400 -0.325 0.000 2.473 544 D HA 0.482 5.124 4.640 0.002 0.000 0.230 544 D C 1.541 177.604 176.300 -0.395 0.000 1.097 544 D CA 0.690 54.476 54.000 -0.358 0.000 0.861 544 D CB 0.462 40.994 40.800 -0.446 0.000 1.114 544 D HN 0.476 nan 8.370 nan 0.000 0.500 545 A N -0.170 122.355 122.820 -0.491 0.000 2.229 545 A HA 0.217 4.539 4.320 0.002 0.000 0.211 545 A C 1.948 179.466 177.584 -0.110 0.000 1.193 545 A CA 0.243 52.073 52.037 -0.344 0.000 0.879 545 A CB 0.275 18.959 19.000 -0.527 0.000 0.911 545 A HN -0.069 nan 8.150 nan 0.000 0.492 546 R N 0.452 120.919 120.500 -0.056 0.000 2.090 546 R HA 0.076 4.417 4.340 0.002 0.000 0.219 546 R C 0.705 176.986 176.300 -0.031 0.000 1.100 546 R CA 0.818 56.923 56.100 0.009 0.000 0.991 546 R CB -0.381 29.941 30.300 0.036 0.000 0.893 546 R HN 0.543 nan 8.270 nan 0.000 0.443 547 N N 0.000 118.672 118.700 -0.046 0.000 1.763 547 N HA 0.000 4.741 4.740 0.002 0.000 0.220 547 N CA 0.000 53.027 53.050 -0.039 0.000 0.885 547 N CB 0.000 38.467 38.487 -0.033 0.000 1.341 547 N HN 0.000 nan 8.380 nan 0.000 0.667