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 3hk2_1_A DATA FIRST_RESID 4 DATA SEQUENCE LGKTEVFLNR FALRPLNPEE LRPWRLEVVL DPPPGREEVY PLLAQVARRA DATA SEQUENCE GGVTVRMGDG LASWSPPEVL VLEGTLARMG QTYAYRLYPK GRRPLDPKDP DATA SEQUENCE GERSVLSALA RRLLQERLRR LEGVWVEGLA VYRREHARGP GWRVLGGAVL DATA SEQUENCE DLWVSDSGAF LLEVDPAYRI LCEMSLEAWL AQGHPLPKRV RNAYDRRTWE DATA SEQUENCE LLRLGEEDPK ELPLPXXXSL LDYHASKGRL QGREGGRVAW VADPKDPRKP DATA SEQUENCE IPHLTGLLVP VLTLEXXXXX XXXXXXXLPW EERRRRTREI ASWIGRRLGL DATA SEQUENCE GTPEAVRAQA YRLSIPKLMG RRAVSKPADA LRVGFYRAQE TALALLRLDG DATA SEQUENCE AQGWPEFLRR ALLRAFGASG ASLRLHTLHA HPSQGLAFRE ALRKAKEEGV DATA SEQUENCE QAVLVLTPPM AWEDRNRLKA LLLREGLPSQ ILNVPLREEE RHRWENALLG DATA SEQUENCE LLAKAGLQVV ALSGAYPAEL AVGFNAGGRE SFRFGGAACA VGGDGGHLLW DATA SEQUENCE TLPEAQAGER IPQEVVWDLL EETLWAFRRK AGRLPSRVLL LRDGRVPQDE DATA SEQUENCE FALALEALAR EGIAYDLVSV RKSGGGRVYP VQGRLADGLY VPLEDKTFLL DATA SEQUENCE LTVHXXXRGT PRPLKLVHEA GDTPLEALAH QIFHLTRLYP ASGFAFPRLP DATA SEQUENCE APLHLADRLV KEVGRLGIRH LKEVDREKLF FV 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.914 176.870 0.073 0.000 1.165 4 L CA 0.000 54.880 54.840 0.067 0.000 0.813 4 L CB 0.000 42.098 42.059 0.065 0.000 0.961 5 G N 0.501 109.322 108.800 0.034 0.000 2.630 5 G HA2 0.471 4.430 3.960 -0.001 0.000 0.236 5 G HA3 0.471 4.430 3.960 -0.001 0.000 0.236 5 G C 0.083 174.935 174.900 -0.080 0.000 1.248 5 G CA 0.248 45.340 45.100 -0.014 0.000 0.844 5 G HN 0.869 nan 8.290 nan 0.000 0.588 6 K N -0.418 119.875 120.400 -0.177 0.000 2.098 6 K HA 0.643 4.962 4.320 -0.001 0.000 0.244 6 K C -0.181 176.259 176.600 -0.268 0.000 1.014 6 K CA -0.195 55.860 56.287 -0.387 0.000 0.917 6 K CB 1.268 33.528 32.500 -0.400 0.000 1.072 6 K HN 0.546 nan 8.250 nan 0.000 0.477 7 T N 0.131 114.497 114.554 -0.313 0.000 2.749 7 T HA 0.183 4.533 4.350 -0.001 0.000 0.310 7 T C -1.448 173.122 174.700 -0.216 0.000 1.496 7 T CA -0.890 61.087 62.100 -0.204 0.000 1.006 7 T CB 1.737 70.513 68.868 -0.152 0.000 1.457 7 T HN 0.417 nan 8.240 nan 0.000 0.497 8 E N 1.141 121.232 120.200 -0.181 0.000 2.183 8 E HA 0.655 5.004 4.350 -0.001 0.000 0.271 8 E C -0.784 175.687 176.600 -0.216 0.000 0.919 8 E CA -0.772 55.503 56.400 -0.209 0.000 0.781 8 E CB 1.997 31.562 29.700 -0.225 0.000 1.140 8 E HN 0.520 nan 8.360 nan 0.000 0.402 9 V N -0.323 119.458 119.914 -0.223 0.000 3.001 9 V HA 0.582 4.702 4.120 -0.001 0.000 0.314 9 V C -0.744 175.206 176.094 -0.240 0.000 1.099 9 V CA -1.012 61.182 62.300 -0.177 0.000 0.989 9 V CB 1.236 33.008 31.823 -0.084 0.000 1.040 9 V HN 0.438 nan 8.190 nan 0.000 0.434 10 F N 2.187 122.162 119.950 0.041 0.000 2.411 10 F HA 0.638 5.164 4.527 -0.001 0.000 0.350 10 F C 0.349 176.171 175.800 0.037 0.000 1.114 10 F CA -0.496 57.533 58.000 0.048 0.000 1.135 10 F CB 1.183 40.259 39.000 0.126 0.000 1.120 10 F HN 0.331 nan 8.300 nan 0.000 0.495 11 L N 2.955 124.265 121.223 0.146 0.000 2.357 11 L HA 0.248 4.588 4.340 -0.001 0.000 0.273 11 L C 0.783 177.662 176.870 0.016 0.000 1.080 11 L CA -0.772 54.102 54.840 0.058 0.000 0.803 11 L CB 0.988 43.059 42.059 0.020 0.000 1.174 11 L HN 0.633 nan 8.230 nan 0.000 0.443 12 N N 1.064 119.801 118.700 0.062 0.000 2.581 12 N HA 0.014 4.753 4.740 -0.001 0.000 0.230 12 N C -0.166 175.326 175.510 -0.030 0.000 1.310 12 N CA -0.044 53.053 53.050 0.078 0.000 0.886 12 N CB 0.038 38.663 38.487 0.230 0.000 1.205 12 N HN 0.508 nan 8.380 nan 0.000 0.488 13 R N -0.411 119.962 120.500 -0.212 0.000 2.856 13 R HA 0.571 4.910 4.340 -0.001 0.000 0.258 13 R C -1.073 174.908 176.300 -0.531 0.000 1.066 13 R CA -0.733 55.277 56.100 -0.150 0.000 1.045 13 R CB 1.014 31.312 30.300 -0.003 0.000 1.178 13 R HN 0.063 nan 8.270 nan 0.000 0.499 14 F N -0.169 119.763 119.950 -0.031 0.000 2.588 14 F HA 0.427 4.953 4.527 -0.001 0.000 0.314 14 F C -0.184 175.584 175.800 -0.053 0.000 1.134 14 F CA -0.948 57.042 58.000 -0.017 0.000 0.961 14 F CB 1.964 40.951 39.000 -0.021 0.000 1.239 14 F HN 0.580 nan 8.300 nan 0.000 0.448 15 A N 4.300 127.201 122.820 0.134 0.000 2.401 15 A HA 0.783 5.102 4.320 -0.001 0.000 0.259 15 A C -0.612 177.027 177.584 0.091 0.000 1.103 15 A CA -0.048 52.033 52.037 0.074 0.000 0.789 15 A CB 0.388 19.424 19.000 0.060 0.000 1.035 15 A HN 0.816 nan 8.150 nan 0.000 0.491 16 L N 0.858 122.128 121.223 0.078 0.000 2.161 16 L HA 0.571 4.911 4.340 -0.001 0.000 0.248 16 L C 0.714 177.650 176.870 0.111 0.000 1.088 16 L CA -1.323 53.568 54.840 0.085 0.000 0.987 16 L CB 1.183 43.288 42.059 0.076 0.000 1.563 16 L HN 0.982 nan 8.230 nan 0.000 0.472 17 R N 0.444 121.018 120.500 0.122 0.000 2.694 17 R HA 0.271 4.611 4.340 -0.001 0.000 0.268 17 R C -2.599 173.798 176.300 0.161 0.000 1.061 17 R CA -1.212 54.958 56.100 0.117 0.000 1.133 17 R CB -0.547 29.804 30.300 0.086 0.000 1.020 17 R HN 0.125 nan 8.270 nan 0.000 0.475 18 P HA -0.032 nan 4.420 nan 0.000 0.267 18 P C -0.616 176.706 177.300 0.037 0.000 1.200 18 P CA -0.224 62.895 63.100 0.031 0.000 0.772 18 P CB 0.345 32.051 31.700 0.010 0.000 0.855 19 L N 2.872 124.046 121.223 -0.082 0.000 2.483 19 L HA 0.060 4.399 4.340 -0.001 0.000 0.275 19 L C 1.222 178.050 176.870 -0.070 0.000 1.220 19 L CA 0.773 55.539 54.840 -0.124 0.000 0.833 19 L CB -0.544 41.367 42.059 -0.246 0.000 1.102 19 L HN 0.491 nan 8.230 nan 0.000 0.490 20 N N 1.707 120.354 118.700 -0.088 0.000 2.458 20 N HA 0.407 5.146 4.740 -0.001 0.000 0.271 20 N C -2.288 173.169 175.510 -0.087 0.000 1.210 20 N CA -1.608 51.397 53.050 -0.075 0.000 0.978 20 N CB 0.082 38.527 38.487 -0.069 0.000 1.206 20 N HN 0.227 nan 8.380 nan 0.000 0.536 21 P HA -0.158 nan 4.420 nan 0.000 0.219 21 P C 0.438 177.686 177.300 -0.087 0.000 1.144 21 P CA 1.307 64.370 63.100 -0.062 0.000 0.806 21 P CB 0.172 31.845 31.700 -0.046 0.000 0.771 22 E N -0.849 119.290 120.200 -0.103 0.000 2.276 22 E HA -0.031 4.319 4.350 -0.001 0.000 0.193 22 E C 1.670 178.171 176.600 -0.164 0.000 0.983 22 E CA 0.595 56.915 56.400 -0.132 0.000 0.861 22 E CB -0.066 29.601 29.700 -0.056 0.000 0.817 22 E HN 0.454 nan 8.360 nan 0.000 0.485 23 E N 0.574 120.638 120.200 -0.226 0.000 2.299 23 E HA 0.038 4.388 4.350 -0.001 0.000 0.193 23 E C 1.355 178.009 176.600 0.090 0.000 0.998 23 E CA 0.186 56.367 56.400 -0.364 0.000 0.851 23 E CB 0.186 29.476 29.700 -0.683 0.000 0.795 23 E HN 0.111 nan 8.360 nan 0.000 0.492 24 L N 0.741 121.969 121.223 0.007 0.000 2.682 24 L HA 0.167 4.506 4.340 -0.001 0.000 0.240 24 L C 0.676 177.563 176.870 0.029 0.000 1.178 24 L CA 0.171 55.037 54.840 0.043 0.000 0.970 24 L CB -0.011 42.041 42.059 -0.011 0.000 1.179 24 L HN -0.072 nan 8.230 nan 0.000 0.435 25 R N 0.354 120.876 120.500 0.036 0.000 3.021 25 R HA 0.217 4.557 4.340 -0.001 0.000 0.206 25 R C -2.840 173.395 176.300 -0.108 0.000 1.593 25 R CA -1.086 54.980 56.100 -0.057 0.000 1.243 25 R CB 0.878 31.091 30.300 -0.145 0.000 1.573 25 R HN -0.146 nan 8.270 nan 0.000 0.640 26 P HA -0.005 nan 4.420 nan 0.000 0.270 26 P C -0.314 176.999 177.300 0.023 0.000 1.223 26 P CA -0.101 63.111 63.100 0.185 0.000 0.785 26 P CB 0.472 32.274 31.700 0.170 0.000 0.923 27 W N 1.599 122.979 121.300 0.133 0.000 2.184 27 W HA 0.281 4.940 4.660 -0.002 0.000 0.338 27 W C 0.940 177.498 176.519 0.065 0.000 1.257 27 W CA 0.175 57.573 57.345 0.088 0.000 1.243 27 W CB 0.546 30.057 29.460 0.086 0.000 1.122 27 W HN 0.296 nan 8.180 nan 0.000 0.585 28 R N 2.097 122.744 120.500 0.246 0.000 2.711 28 R HA 0.703 5.042 4.340 -0.001 0.000 0.284 28 R C -1.470 174.925 176.300 0.158 0.000 0.968 28 R CA -0.551 55.642 56.100 0.155 0.000 0.924 28 R CB 1.145 31.501 30.300 0.094 0.000 1.162 28 R HN 0.523 nan 8.270 nan 0.000 0.465 29 L N 1.929 123.225 121.223 0.123 0.000 2.422 29 L HA 0.446 4.785 4.340 -0.001 0.000 0.264 29 L C -0.620 176.315 176.870 0.109 0.000 0.984 29 L CA -0.734 54.181 54.840 0.125 0.000 0.819 29 L CB 2.182 44.307 42.059 0.110 0.000 1.330 29 L HN 0.635 nan 8.230 nan 0.000 0.410 30 E N 2.101 122.386 120.200 0.142 0.000 2.081 30 E HA 0.387 4.736 4.350 -0.001 0.000 0.276 30 E C -0.991 175.708 176.600 0.165 0.000 0.950 30 E CA -0.644 55.827 56.400 0.118 0.000 0.776 30 E CB 1.580 31.329 29.700 0.083 0.000 1.094 30 E HN 0.374 nan 8.360 nan 0.000 0.402 31 V N 3.682 123.660 119.914 0.107 0.000 2.963 31 V HA 0.102 4.221 4.120 -0.001 0.000 0.306 31 V C 0.147 176.325 176.094 0.139 0.000 1.077 31 V CA -0.185 62.186 62.300 0.118 0.000 1.124 31 V CB 1.404 33.251 31.823 0.041 0.000 0.987 31 V HN 0.474 nan 8.190 nan 0.000 0.487 32 V N 5.266 125.293 119.914 0.188 0.000 2.555 32 V HA 0.349 4.468 4.120 -0.001 0.000 0.283 32 V C -0.406 175.786 176.094 0.163 0.000 1.020 32 V CA -0.309 62.090 62.300 0.165 0.000 0.883 32 V CB 1.236 33.200 31.823 0.235 0.000 1.030 32 V HN 0.640 nan 8.190 nan 0.000 0.448 33 L N 1.948 123.242 121.223 0.118 0.000 2.379 33 L HA 0.632 4.972 4.340 -0.001 0.000 0.269 33 L C 1.486 178.438 176.870 0.138 0.000 1.084 33 L CA 0.568 55.492 54.840 0.140 0.000 0.802 33 L CB 0.733 42.845 42.059 0.089 0.000 1.175 33 L HN 0.700 nan 8.230 nan 0.000 0.448 34 D N 1.397 121.896 120.400 0.165 0.000 2.096 34 D HA 0.057 4.696 4.640 -0.001 0.000 0.214 34 D C -1.009 175.363 176.300 0.119 0.000 0.974 34 D CA 1.045 55.116 54.000 0.118 0.000 0.890 34 D CB -1.903 38.955 40.800 0.096 0.000 1.016 34 D HN 0.569 nan 8.370 nan 0.000 0.447 35 P HA 0.367 nan 4.420 nan 0.000 0.250 35 P C -2.462 174.943 177.300 0.174 0.000 1.198 35 P CA -0.599 62.580 63.100 0.133 0.000 1.118 35 P CB -1.109 30.652 31.700 0.102 0.000 1.208 36 P HA -0.060 nan 4.420 nan 0.000 0.260 36 P C -2.134 175.215 177.300 0.082 0.000 1.147 36 P CA -0.000 63.144 63.100 0.073 0.000 0.758 36 P CB -0.773 30.953 31.700 0.043 0.000 0.744 37 P HA 0.007 nan 4.420 nan 0.000 0.266 37 P C 0.718 178.022 177.300 0.007 0.000 1.193 37 P CA 0.440 63.535 63.100 -0.008 0.000 0.770 37 P CB 0.424 32.068 31.700 -0.094 0.000 0.836 38 G N 1.877 110.691 108.800 0.022 0.000 2.614 38 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.239 38 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.239 38 G C 0.803 175.685 174.900 -0.029 0.000 1.240 38 G CA -0.477 44.633 45.100 0.018 0.000 0.842 38 G HN 0.433 nan 8.290 nan 0.000 0.584 39 R N 0.351 120.839 120.500 -0.020 0.000 2.193 39 R HA 0.076 4.415 4.340 -0.001 0.000 0.213 39 R C 2.367 178.643 176.300 -0.039 0.000 1.055 39 R CA 1.351 57.429 56.100 -0.037 0.000 0.995 39 R CB 0.215 30.505 30.300 -0.017 0.000 0.893 39 R HN 0.688 nan 8.270 nan 0.000 0.459 40 E N 0.094 120.285 120.200 -0.015 0.000 2.498 40 E HA 0.076 4.425 4.350 -0.001 0.000 0.203 40 E C 1.161 177.764 176.600 0.005 0.000 1.013 40 E CA 0.708 57.113 56.400 0.008 0.000 0.927 40 E CB 0.145 29.859 29.700 0.023 0.000 1.012 40 E HN 0.576 nan 8.360 nan 0.000 0.482 41 E N -0.392 119.789 120.200 -0.033 0.000 2.511 41 E HA 0.395 4.744 4.350 -0.001 0.000 0.209 41 E C 1.868 178.398 176.600 -0.117 0.000 0.986 41 E CA 0.684 57.057 56.400 -0.044 0.000 0.974 41 E CB -0.021 29.664 29.700 -0.025 0.000 1.030 41 E HN 0.290 nan 8.360 nan 0.000 0.490 42 V N 0.154 119.951 119.914 -0.195 0.000 2.867 42 V HA -0.165 3.954 4.120 -0.001 0.000 0.260 42 V C 1.743 177.641 176.094 -0.327 0.000 1.099 42 V CA 1.526 63.642 62.300 -0.307 0.000 1.122 42 V CB -0.720 30.859 31.823 -0.406 0.000 0.708 42 V HN 0.731 nan 8.190 nan 0.000 0.490 43 Y N -0.127 120.138 120.300 -0.058 0.000 2.266 43 Y HA 0.136 4.684 4.550 -0.002 0.000 0.294 43 Y C 0.056 175.921 175.900 -0.057 0.000 1.127 43 Y CA 0.210 58.279 58.100 -0.053 0.000 1.140 43 Y CB -1.904 36.532 38.460 -0.040 0.000 1.071 43 Y HN 0.322 nan 8.280 nan 0.000 0.525 44 P HA -0.143 nan 4.420 nan 0.000 0.222 44 P C 1.652 178.943 177.300 -0.016 0.000 1.147 44 P CA 1.422 64.543 63.100 0.034 0.000 0.790 44 P CB 0.114 31.829 31.700 0.024 0.000 0.780 45 L N -2.065 119.121 121.223 -0.063 0.000 2.286 45 L HA 0.100 4.440 4.340 -0.001 0.000 0.203 45 L C 1.997 178.789 176.870 -0.130 0.000 1.068 45 L CA 0.551 55.310 54.840 -0.134 0.000 0.811 45 L CB -0.609 41.293 42.059 -0.262 0.000 0.989 45 L HN -0.195 nan 8.230 nan 0.000 0.467 46 L N 0.444 121.602 121.223 -0.110 0.000 2.131 46 L HA -0.095 4.245 4.340 -0.001 0.000 0.210 46 L C 2.504 179.338 176.870 -0.061 0.000 1.092 46 L CA 1.946 56.733 54.840 -0.090 0.000 0.759 46 L CB -0.650 41.368 42.059 -0.069 0.000 0.903 46 L HN 0.322 nan 8.230 nan 0.000 0.435 47 A N -1.582 121.223 122.820 -0.026 0.000 2.014 47 A HA -0.213 4.106 4.320 -0.001 0.000 0.218 47 A C 2.247 179.801 177.584 -0.050 0.000 1.163 47 A CA 1.367 53.390 52.037 -0.024 0.000 0.652 47 A CB -0.451 18.550 19.000 0.002 0.000 0.808 47 A HN 0.572 nan 8.150 nan 0.000 0.449 48 Q N -0.368 119.393 119.800 -0.064 0.000 2.123 48 Q HA -0.072 4.267 4.340 -0.001 0.000 0.199 48 Q C 1.739 177.662 176.000 -0.128 0.000 0.966 48 Q CA 1.590 57.350 55.803 -0.072 0.000 0.845 48 Q CB -0.110 28.595 28.738 -0.056 0.000 0.907 48 Q HN 0.379 nan 8.270 nan 0.000 0.439 49 V N 0.730 120.532 119.914 -0.187 0.000 2.453 49 V HA -0.200 3.919 4.120 -0.001 0.000 0.247 49 V C 2.308 178.234 176.094 -0.281 0.000 1.048 49 V CA 1.538 63.631 62.300 -0.345 0.000 1.049 49 V CB -0.955 30.647 31.823 -0.368 0.000 0.672 49 V HN 0.506 nan 8.190 nan 0.000 0.457 50 A N 0.133 122.857 122.820 -0.160 0.000 1.940 50 A HA -0.251 4.069 4.320 -0.001 0.000 0.219 50 A C 2.398 179.928 177.584 -0.089 0.000 1.176 50 A CA 1.934 53.908 52.037 -0.106 0.000 0.631 50 A CB -0.470 18.490 19.000 -0.067 0.000 0.814 50 A HN 0.517 nan 8.150 nan 0.000 0.446 51 R N -1.221 119.230 120.500 -0.083 0.000 2.066 51 R HA -0.019 4.320 4.340 -0.001 0.000 0.232 51 R C 2.228 178.493 176.300 -0.057 0.000 1.131 51 R CA 1.028 57.096 56.100 -0.052 0.000 0.955 51 R CB -0.279 30.001 30.300 -0.034 0.000 0.851 51 R HN 0.297 nan 8.270 nan 0.000 0.432 52 R N 0.534 120.971 120.500 -0.105 0.000 2.241 52 R HA -0.021 4.318 4.340 -0.001 0.000 0.224 52 R C 1.966 178.233 176.300 -0.055 0.000 1.101 52 R CA 1.051 57.102 56.100 -0.081 0.000 0.995 52 R CB -0.435 29.779 30.300 -0.144 0.000 0.870 52 R HN 0.238 nan 8.270 nan 0.000 0.463 53 A N 0.525 123.281 122.820 -0.106 0.000 1.969 53 A HA 0.152 4.471 4.320 -0.001 0.000 0.218 53 A C 1.089 178.677 177.584 0.007 0.000 1.169 53 A CA 1.310 53.323 52.037 -0.041 0.000 0.635 53 A CB -0.322 18.642 19.000 -0.060 0.000 0.810 53 A HN 0.458 nan 8.150 nan 0.000 0.445 54 G N -3.096 105.704 108.800 0.000 0.000 2.757 54 G HA2 0.418 4.377 3.960 -0.001 0.000 0.638 54 G HA3 0.418 4.377 3.960 -0.001 0.000 0.638 54 G C 0.922 175.832 174.900 0.016 0.000 1.344 54 G CA 0.047 45.155 45.100 0.013 0.000 0.855 54 G HN 2.409 nan 8.290 nan 0.000 0.537 55 G N -2.246 106.569 108.800 0.025 0.000 2.692 55 G HA2 0.164 4.123 3.960 -0.001 0.000 0.248 55 G HA3 0.164 4.123 3.960 -0.001 0.000 0.248 55 G C 0.230 175.169 174.900 0.065 0.000 1.340 55 G CA 0.485 45.611 45.100 0.044 0.000 0.896 55 G HN 2.032 nan 8.290 nan 0.000 0.570 56 V N 1.600 121.583 119.914 0.115 0.000 2.353 56 V HA 0.617 4.737 4.120 -0.001 0.000 0.264 56 V C 0.770 176.907 176.094 0.072 0.000 1.049 56 V CA 0.932 63.306 62.300 0.123 0.000 0.896 56 V CB 0.631 32.603 31.823 0.249 0.000 1.025 56 V HN 1.414 nan 8.190 nan 0.000 0.475 57 T N 4.688 119.246 114.554 0.006 0.000 3.105 57 T HA 0.656 5.005 4.350 -0.001 0.000 0.321 57 T C -0.791 173.875 174.700 -0.057 0.000 1.135 57 T CA -0.257 61.826 62.100 -0.028 0.000 1.053 57 T CB 1.535 70.405 68.868 0.004 0.000 1.133 57 T HN 0.660 nan 8.240 nan 0.000 0.463 58 V N 2.377 122.239 119.914 -0.086 0.000 3.204 58 V HA 0.758 4.877 4.120 -0.001 0.000 0.316 58 V C 0.159 176.221 176.094 -0.053 0.000 1.160 58 V CA -1.547 60.707 62.300 -0.077 0.000 1.044 58 V CB 1.620 33.379 31.823 -0.108 0.000 1.136 58 V HN 1.096 nan 8.190 nan 0.000 0.455 59 R N 1.243 121.721 120.500 -0.037 0.000 2.340 59 R HA 0.582 4.921 4.340 -0.001 0.000 0.300 59 R C -0.716 175.578 176.300 -0.011 0.000 1.069 59 R CA -0.409 55.683 56.100 -0.013 0.000 0.984 59 R CB 0.766 31.076 30.300 0.016 0.000 1.003 59 R HN 0.951 nan 8.270 nan 0.000 0.459 60 M N 6.072 125.672 119.600 0.000 0.000 1.987 60 M HA 0.214 4.693 4.480 -0.001 0.000 0.298 60 M C 0.176 176.488 176.300 0.021 0.000 0.892 60 M CA 0.344 55.646 55.300 0.003 0.000 0.885 60 M CB 1.189 33.787 32.600 -0.005 0.000 1.469 60 M HN 1.002 nan 8.290 nan 0.000 0.389 61 G N 3.784 112.606 108.800 0.036 0.000 2.557 61 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.292 61 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.292 61 G C -0.316 174.620 174.900 0.060 0.000 1.162 61 G CA 0.685 45.817 45.100 0.053 0.000 0.964 61 G HN 0.799 nan 8.290 nan 0.000 0.541 62 D N 1.292 121.708 120.400 0.027 0.000 2.593 62 D HA 0.542 5.181 4.640 -0.001 0.000 0.241 62 D C 0.683 176.984 176.300 0.001 0.000 1.257 62 D CA 0.807 54.806 54.000 -0.003 0.000 0.828 62 D CB 0.590 41.375 40.800 -0.025 0.000 1.049 62 D HN 0.856 nan 8.370 nan 0.000 0.490 63 G N -0.301 108.507 108.800 0.015 0.000 2.921 63 G HA2 0.602 4.562 3.960 -0.001 0.000 0.291 63 G HA3 0.602 4.562 3.960 -0.001 0.000 0.291 63 G C -1.584 173.327 174.900 0.018 0.000 1.370 63 G CA -0.775 44.339 45.100 0.023 0.000 0.847 63 G HN 0.008 nan 8.290 nan 0.000 0.532 64 L N 0.400 121.639 121.223 0.027 0.000 2.331 64 L HA 0.772 5.111 4.340 -0.001 0.000 0.275 64 L C 0.538 177.429 176.870 0.034 0.000 1.022 64 L CA -1.283 53.567 54.840 0.016 0.000 0.812 64 L CB 1.063 43.127 42.059 0.009 0.000 1.257 64 L HN 0.719 nan 8.230 nan 0.000 0.435 65 A N 1.600 124.424 122.820 0.006 0.000 2.276 65 A HA 0.677 4.996 4.320 -0.001 0.000 0.316 65 A C -0.075 177.518 177.584 0.014 0.000 1.229 65 A CA -0.304 51.741 52.037 0.013 0.000 0.851 65 A CB 1.020 19.988 19.000 -0.052 0.000 1.165 65 A HN 0.630 nan 8.150 nan 0.000 0.513 66 S N 1.338 117.120 115.700 0.138 0.000 2.513 66 S HA 0.526 4.995 4.470 -0.001 0.000 0.299 66 S C -0.663 174.211 174.600 0.458 0.000 1.087 66 S CA -0.380 57.936 58.200 0.195 0.000 1.012 66 S CB 0.460 63.766 63.200 0.176 0.000 1.044 66 S HN 0.674 nan 8.310 nan 0.000 0.485 67 W N 2.884 124.338 121.300 0.257 0.000 3.391 67 W HA 0.422 5.082 4.660 -0.001 0.000 0.372 67 W C 0.075 176.763 176.519 0.281 0.000 1.171 67 W CA -0.807 56.738 57.345 0.334 0.000 1.862 67 W CB -0.850 28.744 29.460 0.223 0.000 1.048 67 W HN 0.451 nan 8.180 nan 0.000 0.726 68 S N 0.121 115.988 115.700 0.278 0.000 2.571 68 S HA 0.403 4.872 4.470 -0.001 0.000 0.284 68 S C -2.587 171.582 174.600 -0.719 0.000 1.128 68 S CA -1.170 56.932 58.200 -0.163 0.000 0.970 68 S CB 2.513 65.679 63.200 -0.057 0.000 1.039 68 S HN -0.328 nan 8.310 nan 0.000 0.485 69 P HA 0.114 nan 4.420 nan 0.000 0.264 69 P C -1.992 174.930 177.300 -0.630 0.000 1.183 69 P CA -0.882 61.382 63.100 -1.393 0.000 0.763 69 P CB 0.032 31.241 31.700 -0.817 0.000 0.807 70 P HA -0.211 nan 4.420 nan 0.000 0.216 70 P C 1.125 178.335 177.300 -0.150 0.000 1.150 70 P CA 1.519 64.501 63.100 -0.196 0.000 0.843 70 P CB -0.038 31.607 31.700 -0.092 0.000 0.787 71 E N -0.584 119.521 120.200 -0.158 0.000 2.171 71 E HA -0.133 4.216 4.350 -0.001 0.000 0.197 71 E C 1.326 177.869 176.600 -0.094 0.000 0.997 71 E CA 1.175 57.513 56.400 -0.103 0.000 0.810 71 E CB -0.985 28.663 29.700 -0.087 0.000 0.738 71 E HN 0.258 nan 8.360 nan 0.000 0.467 72 V N -1.341 118.499 119.914 -0.122 0.000 3.063 72 V HA 0.347 4.466 4.120 -0.001 0.000 0.379 72 V C 0.043 176.095 176.094 -0.071 0.000 1.310 72 V CA -0.315 61.933 62.300 -0.087 0.000 1.333 72 V CB -0.756 31.015 31.823 -0.087 0.000 1.331 72 V HN -0.027 nan 8.190 nan 0.000 0.527 73 L N -0.087 121.099 121.223 -0.062 0.000 2.333 73 L HA 0.565 4.904 4.340 -0.001 0.000 0.269 73 L C -0.013 176.859 176.870 0.003 0.000 1.010 73 L CA -1.133 53.692 54.840 -0.026 0.000 0.818 73 L CB 2.599 44.643 42.059 -0.026 0.000 1.306 73 L HN -0.014 nan 8.230 nan 0.000 0.430 74 V N 4.148 124.085 119.914 0.040 0.000 2.157 74 V HA 0.009 4.128 4.120 -0.001 0.000 0.241 74 V C 1.336 177.517 176.094 0.146 0.000 1.349 74 V CA 0.130 62.476 62.300 0.076 0.000 1.319 74 V CB -0.503 31.387 31.823 0.113 0.000 1.421 74 V HN 0.626 nan 8.190 nan 0.000 0.501 75 L N 1.604 122.868 121.223 0.067 0.000 2.376 75 L HA 0.103 4.442 4.340 -0.001 0.000 0.219 75 L C 0.829 177.716 176.870 0.029 0.000 1.133 75 L CA 1.069 55.954 54.840 0.075 0.000 0.816 75 L CB -0.140 41.897 42.059 -0.037 0.000 0.933 75 L HN 0.581 nan 8.230 nan 0.000 0.449 76 E N -0.348 119.790 120.200 -0.103 0.000 2.234 76 E HA 0.628 4.978 4.350 -0.001 0.000 0.266 76 E C -0.234 176.055 176.600 -0.518 0.000 0.877 76 E CA -0.384 55.803 56.400 -0.356 0.000 0.758 76 E CB 2.299 31.863 29.700 -0.228 0.000 1.170 76 E HN 0.098 nan 8.360 nan 0.000 0.415 77 G N 0.927 109.069 108.800 -1.096 0.000 2.634 77 G HA2 0.586 4.545 3.960 -0.001 0.000 0.309 77 G HA3 0.586 4.545 3.960 -0.001 0.000 0.309 77 G C -0.858 173.742 174.900 -0.501 0.000 1.299 77 G CA -0.352 44.340 45.100 -0.679 0.000 0.798 77 G HN 0.475 nan 8.290 nan 0.000 0.490 78 T N -2.726 111.782 114.554 -0.077 0.000 2.888 78 T HA 0.783 5.132 4.350 -0.001 0.000 0.288 78 T C -1.621 173.215 174.700 0.226 0.000 1.063 78 T CA -0.841 61.302 62.100 0.071 0.000 1.010 78 T CB 2.116 71.005 68.868 0.036 0.000 1.214 78 T HN 1.206 nan 8.240 nan 0.000 0.533 79 L N 0.850 122.210 121.223 0.228 0.000 2.543 79 L HA 0.760 5.100 4.340 -0.001 0.000 0.265 79 L C -1.124 175.892 176.870 0.243 0.000 0.945 79 L CA -0.900 54.090 54.840 0.250 0.000 0.869 79 L CB 1.513 43.752 42.059 0.300 0.000 1.294 79 L HN 1.189 nan 8.230 nan 0.000 0.405 80 A N 3.837 126.762 122.820 0.175 0.000 2.277 80 A HA 0.938 5.257 4.320 -0.001 0.000 0.318 80 A C -0.190 177.491 177.584 0.161 0.000 1.339 80 A CA -0.122 51.997 52.037 0.138 0.000 0.875 80 A CB 0.528 19.573 19.000 0.076 0.000 1.158 80 A HN 0.900 nan 8.150 nan 0.000 0.514 81 R N 1.608 122.257 120.500 0.248 0.000 2.513 81 R HA 0.801 5.140 4.340 -0.001 0.000 0.301 81 R C 0.557 176.966 176.300 0.183 0.000 0.968 81 R CA 0.218 56.450 56.100 0.220 0.000 0.872 81 R CB 0.112 30.555 30.300 0.239 0.000 1.177 81 R HN 2.602 nan 8.270 nan 0.000 0.444 82 M N 0.225 119.888 119.600 0.106 0.000 2.393 82 M HA -0.020 4.459 4.480 -0.001 0.000 0.201 82 M C 1.769 178.102 176.300 0.055 0.000 0.403 82 M CA 2.562 57.907 55.300 0.076 0.000 0.471 82 M CB -2.493 30.156 32.600 0.081 0.000 1.669 82 M HN 3.007 nan 8.290 nan 0.000 0.864 83 G N -4.677 104.149 108.800 0.042 0.000 2.308 83 G HA2 0.481 4.440 3.960 -0.001 0.000 0.221 83 G HA3 0.481 4.440 3.960 -0.001 0.000 0.221 83 G C 0.655 175.536 174.900 -0.033 0.000 1.032 83 G CA 1.350 46.456 45.100 0.011 0.000 0.623 83 G HN 2.937 nan 8.290 nan 0.000 0.506 84 Q N 0.452 120.206 119.800 -0.076 0.000 2.299 84 Q HA 0.698 5.037 4.340 -0.001 0.000 0.246 84 Q C 0.108 175.914 176.000 -0.323 0.000 0.935 84 Q CA 0.681 56.326 55.803 -0.263 0.000 0.887 84 Q CB 0.713 29.172 28.738 -0.466 0.000 1.223 84 Q HN 0.735 nan 8.270 nan 0.000 0.439 85 T N 2.939 117.299 114.554 -0.323 0.000 2.929 85 T HA 0.490 4.840 4.350 -0.001 0.000 0.331 85 T C -0.940 173.636 174.700 -0.207 0.000 1.120 85 T CA 0.053 62.049 62.100 -0.175 0.000 0.973 85 T CB -0.656 68.170 68.868 -0.071 0.000 1.036 85 T HN 0.503 nan 8.240 nan 0.000 0.502 86 Y N 1.117 121.446 120.300 0.047 0.000 2.320 86 Y HA 0.589 5.138 4.550 -0.002 0.000 0.324 86 Y C 0.548 176.492 175.900 0.074 0.000 1.190 86 Y CA -1.416 56.719 58.100 0.058 0.000 1.215 86 Y CB 0.891 39.392 38.460 0.068 0.000 1.221 86 Y HN 0.587 nan 8.280 nan 0.000 0.486 87 A N 3.380 126.323 122.820 0.206 0.000 2.328 87 A HA 0.514 4.834 4.320 -0.001 0.000 0.318 87 A C -1.035 176.609 177.584 0.101 0.000 1.347 87 A CA -0.757 51.337 52.037 0.096 0.000 0.842 87 A CB -0.703 18.308 19.000 0.018 0.000 1.148 87 A HN 0.713 nan 8.150 nan 0.000 0.499 88 Y N 0.879 121.221 120.300 0.070 0.000 2.295 88 Y HA 0.805 5.355 4.550 -0.001 0.000 0.331 88 Y C 0.139 176.060 175.900 0.035 0.000 1.311 88 Y CA -1.116 57.016 58.100 0.053 0.000 1.430 88 Y CB 0.598 39.079 38.460 0.035 0.000 1.339 88 Y HN 0.645 nan 8.280 nan 0.000 0.552 89 R N 2.110 122.733 120.500 0.206 0.000 2.515 89 R HA 0.481 4.821 4.340 -0.001 0.000 0.278 89 R C -2.536 173.845 176.300 0.137 0.000 1.107 89 R CA -0.472 55.660 56.100 0.053 0.000 0.945 89 R CB 0.783 31.080 30.300 -0.005 0.000 1.219 89 R HN 0.930 nan 8.270 nan 0.000 0.434 90 L N 5.008 126.261 121.223 0.050 0.000 2.295 90 L HA 0.527 4.866 4.340 -0.001 0.000 0.285 90 L C -0.764 176.042 176.870 -0.107 0.000 1.035 90 L CA -0.933 53.952 54.840 0.075 0.000 0.806 90 L CB 1.095 43.218 42.059 0.106 0.000 1.214 90 L HN 0.629 nan 8.230 nan 0.000 0.426 91 Y N 2.866 123.206 120.300 0.067 0.000 2.352 91 Y HA 0.393 4.942 4.550 -0.001 0.000 0.339 91 Y C -2.137 173.801 175.900 0.064 0.000 0.992 91 Y CA -2.584 55.550 58.100 0.056 0.000 1.100 91 Y CB 1.553 40.042 38.460 0.047 0.000 1.192 91 Y HN 0.399 nan 8.280 nan 0.000 0.458 92 P HA 0.164 nan 4.420 nan 0.000 0.276 92 P C -0.452 176.951 177.300 0.171 0.000 1.230 92 P CA -0.444 62.756 63.100 0.167 0.000 0.776 92 P CB 0.769 32.552 31.700 0.138 0.000 0.888 93 K N 2.927 123.421 120.400 0.158 0.000 3.237 93 K HA 0.364 4.683 4.320 -0.001 0.000 0.197 93 K C 0.878 177.546 176.600 0.114 0.000 1.133 93 K CA -0.209 56.150 56.287 0.119 0.000 0.944 93 K CB 0.350 32.907 32.500 0.095 0.000 0.952 93 K HN 0.805 nan 8.250 nan 0.000 0.515 94 G N 1.911 110.795 108.800 0.139 0.000 2.574 94 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.295 94 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.295 94 G C -0.391 174.563 174.900 0.089 0.000 1.300 94 G CA -0.143 45.030 45.100 0.122 0.000 0.944 94 G HN 0.484 nan 8.290 nan 0.000 0.551 95 R N -0.650 119.836 120.500 -0.023 0.000 2.892 95 R HA 0.784 5.123 4.340 -0.001 0.000 0.265 95 R C 0.134 176.389 176.300 -0.075 0.000 1.025 95 R CA -0.853 55.175 56.100 -0.121 0.000 0.982 95 R CB 1.977 32.048 30.300 -0.382 0.000 1.185 95 R HN 0.780 nan 8.270 nan 0.000 0.484 96 R N 1.626 122.083 120.500 -0.071 0.000 2.531 96 R HA 0.334 4.673 4.340 -0.001 0.000 0.293 96 R C -2.917 173.363 176.300 -0.034 0.000 1.124 96 R CA -1.726 54.352 56.100 -0.037 0.000 0.945 96 R CB 1.848 32.144 30.300 -0.007 0.000 1.195 96 R HN 0.338 nan 8.270 nan 0.000 0.433 97 P HA 0.079 nan 4.420 nan 0.000 0.268 97 P C -1.111 176.186 177.300 -0.005 0.000 1.205 97 P CA -0.302 62.783 63.100 -0.025 0.000 0.771 97 P CB 0.574 32.257 31.700 -0.028 0.000 0.858 98 L N 2.906 124.134 121.223 0.010 0.000 2.362 98 L HA 0.434 4.773 4.340 -0.001 0.000 0.271 98 L C -0.022 176.856 176.870 0.012 0.000 1.002 98 L CA -0.139 54.710 54.840 0.015 0.000 0.818 98 L CB 1.546 43.623 42.059 0.030 0.000 1.298 98 L HN 0.236 nan 8.230 nan 0.000 0.420 99 D N 3.654 124.058 120.400 0.007 0.000 2.460 99 D HA 0.358 4.998 4.640 -0.001 0.000 0.232 99 D C -1.892 174.413 176.300 0.008 0.000 1.079 99 D CA -2.005 51.998 54.000 0.005 0.000 0.864 99 D CB 1.965 42.766 40.800 0.001 0.000 1.048 99 D HN 0.161 nan 8.370 nan 0.000 0.523 100 P HA -0.207 nan 4.420 nan 0.000 0.218 100 P C 1.155 178.464 177.300 0.016 0.000 1.150 100 P CA 1.079 64.188 63.100 0.015 0.000 0.841 100 P CB 0.483 32.188 31.700 0.008 0.000 0.784 101 K N -0.134 120.272 120.400 0.010 0.000 1.991 101 K HA -0.116 4.203 4.320 -0.001 0.000 0.212 101 K C 0.808 177.412 176.600 0.007 0.000 1.049 101 K CA 0.979 57.271 56.287 0.009 0.000 0.932 101 K CB -1.514 30.988 32.500 0.004 0.000 0.717 101 K HN 0.148 nan 8.250 nan 0.000 0.441 102 D N 1.015 121.417 120.400 0.004 0.000 2.356 102 D HA -0.010 4.629 4.640 -0.001 0.000 0.272 102 D C -1.931 174.369 176.300 0.001 0.000 1.337 102 D CA -1.625 52.375 54.000 0.001 0.000 0.970 102 D CB 0.917 41.716 40.800 -0.001 0.000 1.092 102 D HN -0.066 nan 8.370 nan 0.000 0.516 103 P HA -0.047 nan 4.420 nan 0.000 0.226 103 P C 1.184 178.478 177.300 -0.011 0.000 1.146 103 P CA 0.744 63.841 63.100 -0.005 0.000 0.773 103 P CB 0.265 31.958 31.700 -0.012 0.000 0.772 104 G N 0.248 109.042 108.800 -0.010 0.000 2.404 104 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.214 104 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.214 104 G C 1.414 176.308 174.900 -0.011 0.000 1.189 104 G CA 0.381 45.473 45.100 -0.013 0.000 0.789 104 G HN 0.255 nan 8.290 nan 0.000 0.533 105 E N -0.099 120.098 120.200 -0.006 0.000 2.208 105 E HA -0.038 4.312 4.350 -0.001 0.000 0.193 105 E C 2.432 179.032 176.600 0.000 0.000 0.988 105 E CA 0.309 56.707 56.400 -0.003 0.000 0.828 105 E CB -0.033 29.667 29.700 0.001 0.000 0.763 105 E HN 0.385 nan 8.360 nan 0.000 0.478 106 R N 1.151 121.654 120.500 0.006 0.000 2.193 106 R HA -0.132 4.207 4.340 -0.001 0.000 0.229 106 R C 2.386 178.693 176.300 0.013 0.000 1.110 106 R CA 1.526 57.637 56.100 0.018 0.000 0.988 106 R CB -0.260 30.056 30.300 0.027 0.000 0.871 106 R HN 0.169 nan 8.270 nan 0.000 0.458 107 S N 0.104 115.800 115.700 -0.007 0.000 2.382 107 S HA -0.085 4.384 4.470 -0.001 0.000 0.228 107 S C 1.949 176.534 174.600 -0.025 0.000 1.027 107 S CA 1.633 59.821 58.200 -0.019 0.000 0.991 107 S CB -0.243 62.938 63.200 -0.032 0.000 0.823 107 S HN 0.146 nan 8.310 nan 0.000 0.469 108 V N 1.407 121.301 119.914 -0.033 0.000 2.346 108 V HA -0.079 4.041 4.120 -0.001 0.000 0.244 108 V C 2.348 178.380 176.094 -0.105 0.000 1.037 108 V CA 1.148 63.408 62.300 -0.066 0.000 1.029 108 V CB -0.636 31.151 31.823 -0.060 0.000 0.663 108 V HN 0.618 nan 8.190 nan 0.000 0.454 109 L N 0.089 121.278 121.223 -0.056 0.000 2.127 109 L HA -0.173 4.166 4.340 -0.001 0.000 0.211 109 L C 2.397 179.254 176.870 -0.020 0.000 1.089 109 L CA 1.596 56.412 54.840 -0.040 0.000 0.757 109 L CB -0.587 41.505 42.059 0.056 0.000 0.899 109 L HN 0.324 nan 8.230 nan 0.000 0.434 110 S N -0.552 115.170 115.700 0.035 0.000 2.470 110 S HA 0.079 4.548 4.470 -0.001 0.000 0.225 110 S C 2.135 176.773 174.600 0.064 0.000 1.006 110 S CA 0.660 58.936 58.200 0.126 0.000 0.934 110 S CB 0.145 63.463 63.200 0.196 0.000 0.778 110 S HN 0.457 nan 8.310 nan 0.000 0.517 111 A N 2.006 124.809 122.820 -0.029 0.000 1.873 111 A HA 0.040 4.359 4.320 -0.001 0.000 0.215 111 A C 2.028 179.545 177.584 -0.111 0.000 1.186 111 A CA 1.049 53.051 52.037 -0.058 0.000 0.616 111 A CB -0.749 18.201 19.000 -0.083 0.000 0.823 111 A HN 0.428 nan 8.150 nan 0.000 0.442 112 L N -0.508 120.545 121.223 -0.284 0.000 2.042 112 L HA -0.214 4.125 4.340 -0.001 0.000 0.210 112 L C 3.091 179.832 176.870 -0.215 0.000 1.076 112 L CA 1.130 55.658 54.840 -0.519 0.000 0.749 112 L CB -0.631 40.566 42.059 -1.437 0.000 0.893 112 L HN 0.426 nan 8.230 nan 0.000 0.432 113 A N 0.095 122.920 122.820 0.009 0.000 1.917 113 A HA -0.257 4.063 4.320 -0.001 0.000 0.219 113 A C 2.421 180.162 177.584 0.262 0.000 1.182 113 A CA 1.891 54.178 52.037 0.415 0.000 0.633 113 A CB -0.534 18.760 19.000 0.489 0.000 0.819 113 A HN 0.353 nan 8.150 nan 0.000 0.448 114 R N -1.245 119.348 120.500 0.155 0.000 2.066 114 R HA -0.068 4.271 4.340 -0.001 0.000 0.232 114 R C 2.509 178.863 176.300 0.090 0.000 1.131 114 R CA 1.128 57.300 56.100 0.121 0.000 0.955 114 R CB -0.277 30.077 30.300 0.090 0.000 0.851 114 R HN 0.371 nan 8.270 nan 0.000 0.432 115 R N 1.076 121.614 120.500 0.063 0.000 2.113 115 R HA -0.164 4.176 4.340 -0.001 0.000 0.231 115 R C 2.235 178.596 176.300 0.102 0.000 1.129 115 R CA 1.105 57.241 56.100 0.060 0.000 0.915 115 R CB -1.415 28.901 30.300 0.027 0.000 0.837 115 R HN 0.239 nan 8.270 nan 0.000 0.430 116 L N 1.583 122.909 121.223 0.172 0.000 2.064 116 L HA -0.228 4.111 4.340 -0.001 0.000 0.216 116 L C 2.151 179.084 176.870 0.104 0.000 1.077 116 L CA 1.814 56.778 54.840 0.206 0.000 0.766 116 L CB -0.969 41.324 42.059 0.390 0.000 0.890 116 L HN 0.195 nan 8.230 nan 0.000 0.435 117 L N 0.562 121.842 121.223 0.095 0.000 1.976 117 L HA -0.251 4.088 4.340 -0.001 0.000 0.209 117 L C 2.917 179.815 176.870 0.045 0.000 1.071 117 L CA 2.488 57.357 54.840 0.050 0.000 0.746 117 L CB -0.871 41.226 42.059 0.064 0.000 0.890 117 L HN 0.628 nan 8.230 nan 0.000 0.432 118 Q N -1.855 117.977 119.800 0.053 0.000 2.167 118 Q HA -0.180 4.160 4.340 -0.001 0.000 0.202 118 Q C 1.660 177.688 176.000 0.047 0.000 0.970 118 Q CA 1.426 57.257 55.803 0.045 0.000 0.855 118 Q CB -0.489 28.275 28.738 0.044 0.000 0.911 118 Q HN 0.431 nan 8.270 nan 0.000 0.438 119 E N 1.232 121.464 120.200 0.054 0.000 2.208 119 E HA -0.050 4.300 4.350 -0.001 0.000 0.193 119 E C 1.797 178.424 176.600 0.045 0.000 0.988 119 E CA 0.759 57.190 56.400 0.051 0.000 0.828 119 E CB 0.029 29.766 29.700 0.062 0.000 0.763 119 E HN 0.450 nan 8.360 nan 0.000 0.478 120 R N -0.132 120.394 120.500 0.042 0.000 2.276 120 R HA 0.185 4.524 4.340 -0.001 0.000 0.196 120 R C 2.168 178.492 176.300 0.041 0.000 0.961 120 R CA 0.084 56.202 56.100 0.030 0.000 1.024 120 R CB 0.151 30.457 30.300 0.011 0.000 0.940 120 R HN 0.133 nan 8.270 nan 0.000 0.480 121 L N -0.280 120.972 121.223 0.048 0.000 2.209 121 L HA 0.023 4.362 4.340 -0.001 0.000 0.207 121 L C 2.578 179.486 176.870 0.063 0.000 1.094 121 L CA 0.647 55.526 54.840 0.064 0.000 0.790 121 L CB -0.253 41.836 42.059 0.050 0.000 0.932 121 L HN 0.092 nan 8.230 nan 0.000 0.447 122 R N 1.604 122.135 120.500 0.051 0.000 2.091 122 R HA -0.148 4.191 4.340 -0.001 0.000 0.238 122 R C 1.122 177.449 176.300 0.044 0.000 1.136 122 R CA 1.222 57.351 56.100 0.048 0.000 0.959 122 R CB -0.003 30.322 30.300 0.041 0.000 0.856 122 R HN 0.335 nan 8.270 nan 0.000 0.437 123 R N 1.127 121.649 120.500 0.037 0.000 3.657 123 R HA 0.273 4.612 4.340 -0.001 0.000 0.220 123 R C -1.062 175.253 176.300 0.025 0.000 1.548 123 R CA -0.063 56.053 56.100 0.027 0.000 1.465 123 R CB 0.063 30.373 30.300 0.017 0.000 1.330 123 R HN 0.099 nan 8.270 nan 0.000 0.707 124 L N 1.286 122.533 121.223 0.040 0.000 2.526 124 L HA 0.340 4.679 4.340 -0.001 0.000 0.263 124 L C -0.848 176.054 176.870 0.054 0.000 0.943 124 L CA -1.075 53.790 54.840 0.041 0.000 0.859 124 L CB 2.905 45.014 42.059 0.084 0.000 1.313 124 L HN 0.297 nan 8.230 nan 0.000 0.406 125 E N 1.151 121.370 120.200 0.031 0.000 2.301 125 E HA 0.551 4.900 4.350 -0.001 0.000 0.275 125 E C 0.430 177.066 176.600 0.061 0.000 1.030 125 E CA 0.693 57.115 56.400 0.037 0.000 0.852 125 E CB 1.432 31.141 29.700 0.014 0.000 1.060 125 E HN 0.728 nan 8.360 nan 0.000 0.401 126 G N 0.762 109.604 108.800 0.069 0.000 2.401 126 G HA2 0.124 4.083 3.960 -0.001 0.000 0.283 126 G HA3 0.124 4.083 3.960 -0.001 0.000 0.283 126 G C -0.197 174.778 174.900 0.125 0.000 1.117 126 G CA 0.042 45.194 45.100 0.085 0.000 1.051 126 G HN 0.859 nan 8.290 nan 0.000 0.510 127 V N -2.808 117.177 119.914 0.117 0.000 3.189 127 V HA 0.992 5.112 4.120 -0.001 0.000 0.302 127 V C -0.094 176.076 176.094 0.128 0.000 1.612 127 V CA -0.466 61.916 62.300 0.137 0.000 1.021 127 V CB 0.832 32.754 31.823 0.164 0.000 1.084 127 V HN 2.105 nan 8.190 nan 0.000 0.478 128 W N -1.080 120.319 121.300 0.165 0.000 3.127 128 W HA 0.675 5.335 4.660 -0.001 0.000 0.330 128 W C -1.059 175.591 176.519 0.217 0.000 1.187 128 W CA -0.139 57.316 57.345 0.184 0.000 1.198 128 W CB 1.196 30.772 29.460 0.193 0.000 1.408 128 W HN 1.325 nan 8.180 nan 0.000 0.529 129 V N 1.220 121.234 119.914 0.166 0.000 2.575 129 V HA 0.421 4.540 4.120 -0.001 0.000 0.281 129 V C 0.297 176.468 176.094 0.128 0.000 1.087 129 V CA -0.310 62.067 62.300 0.129 0.000 1.193 129 V CB -0.018 31.854 31.823 0.083 0.000 1.426 129 V HN 1.115 nan 8.190 nan 0.000 0.623 130 E N 1.455 121.775 120.200 0.200 0.000 1.774 130 E HA 0.525 4.874 4.350 -0.001 0.000 0.265 130 E C 1.161 177.834 176.600 0.121 0.000 1.207 130 E CA 0.853 57.342 56.400 0.149 0.000 1.054 130 E CB -0.109 29.682 29.700 0.153 0.000 1.074 130 E HN 1.574 nan 8.360 nan 0.000 0.433 131 G N -0.853 107.993 108.800 0.077 0.000 2.499 131 G HA2 0.123 4.082 3.960 -0.001 0.000 0.232 131 G HA3 0.123 4.082 3.960 -0.001 0.000 0.232 131 G C 1.150 176.076 174.900 0.044 0.000 1.251 131 G CA 0.554 45.687 45.100 0.054 0.000 0.917 131 G HN 1.867 nan 8.290 nan 0.000 0.580 132 L N -0.594 120.649 121.223 0.033 0.000 2.777 132 L HA 0.787 5.126 4.340 -0.001 0.000 0.244 132 L C 1.283 178.144 176.870 -0.015 0.000 1.235 132 L CA 1.592 56.445 54.840 0.021 0.000 1.062 132 L CB -1.429 40.652 42.059 0.035 0.000 1.340 132 L HN 2.450 nan 8.230 nan 0.000 0.439 133 A N -0.970 121.829 122.820 -0.034 0.000 2.401 133 A HA 0.824 5.143 4.320 -0.001 0.000 0.310 133 A C -0.672 176.771 177.584 -0.236 0.000 1.075 133 A CA -0.606 51.333 52.037 -0.163 0.000 0.746 133 A CB 1.935 20.825 19.000 -0.183 0.000 1.277 133 A HN 0.485 nan 8.150 nan 0.000 0.425 134 V N 1.898 121.564 119.914 -0.412 0.000 2.555 134 V HA 0.471 4.590 4.120 -0.001 0.000 0.302 134 V C -1.578 174.164 176.094 -0.586 0.000 1.038 134 V CA -0.314 61.786 62.300 -0.333 0.000 0.887 134 V CB 1.540 33.228 31.823 -0.226 0.000 0.991 134 V HN 0.763 nan 8.190 nan 0.000 0.434 135 Y N 4.669 124.931 120.300 -0.064 0.000 2.388 135 Y HA 0.659 5.208 4.550 -0.001 0.000 0.328 135 Y C 0.802 176.673 175.900 -0.048 0.000 0.963 135 Y CA -0.374 57.687 58.100 -0.065 0.000 1.240 135 Y CB 1.167 39.614 38.460 -0.022 0.000 1.118 135 Y HN 0.709 nan 8.280 nan 0.000 0.484 136 R N 1.961 122.454 120.500 -0.013 0.000 1.950 136 R HA 0.457 4.797 4.340 -0.001 0.000 0.197 136 R C 1.244 177.585 176.300 0.068 0.000 1.471 136 R CA 0.780 56.873 56.100 -0.013 0.000 1.156 136 R CB -0.902 29.261 30.300 -0.229 0.000 0.905 136 R HN 0.594 nan 8.270 nan 0.000 0.489 137 R N 2.143 122.671 120.500 0.047 0.000 2.309 137 R HA 0.521 4.861 4.340 -0.001 0.000 0.331 137 R C 0.588 176.967 176.300 0.132 0.000 1.116 137 R CA 0.481 56.635 56.100 0.090 0.000 0.970 137 R CB -1.770 28.576 30.300 0.078 0.000 1.024 137 R HN 1.170 nan 8.270 nan 0.000 0.472 138 E N 0.577 120.853 120.200 0.126 0.000 2.565 138 E HA -0.090 4.259 4.350 -0.001 0.000 0.268 138 E C 0.476 177.188 176.600 0.186 0.000 1.000 138 E CA 0.862 57.348 56.400 0.143 0.000 0.964 138 E CB 0.066 29.823 29.700 0.095 0.000 0.955 138 E HN 0.895 nan 8.360 nan 0.000 0.459 139 H N -0.242 118.884 119.070 0.094 0.000 2.855 139 H HA 0.516 5.071 4.556 -0.001 0.000 0.259 139 H C 0.149 175.503 175.328 0.043 0.000 0.972 139 H CA 1.085 57.189 56.048 0.094 0.000 1.213 139 H CB 0.821 30.677 29.762 0.158 0.000 1.451 139 H HN 0.780 nan 8.280 nan 0.000 0.484 140 A N -0.133 122.722 122.820 0.059 0.000 2.427 140 A HA 0.544 4.863 4.320 -0.001 0.000 0.298 140 A C 0.919 178.508 177.584 0.009 0.000 1.036 140 A CA 0.026 52.061 52.037 -0.003 0.000 0.701 140 A CB 1.003 20.015 19.000 0.021 0.000 1.250 140 A HN 0.420 nan 8.150 nan 0.000 0.412 141 R N 1.544 122.038 120.500 -0.009 0.000 2.090 141 R HA 0.433 4.772 4.340 -0.001 0.000 0.228 141 R C 1.949 178.250 176.300 0.002 0.000 1.110 141 R CA 1.912 58.011 56.100 -0.001 0.000 0.973 141 R CB -1.486 28.810 30.300 -0.007 0.000 0.869 141 R HN 2.949 nan 8.270 nan 0.000 0.440 142 G N -2.237 106.561 108.800 -0.003 0.000 2.801 142 G HA2 0.161 4.120 3.960 -0.001 0.000 0.244 142 G HA3 0.161 4.120 3.960 -0.001 0.000 0.244 142 G C -1.269 173.631 174.900 0.000 0.000 1.385 142 G CA 0.444 45.544 45.100 -0.001 0.000 0.894 142 G HN 1.243 nan 8.290 nan 0.000 0.562 143 P HA 0.743 nan 4.420 nan 0.000 0.176 143 P C 0.546 177.848 177.300 0.003 0.000 1.858 143 P CA 1.403 64.504 63.100 0.002 0.000 1.339 143 P CB 0.261 31.961 31.700 0.001 0.000 1.627 144 G N -1.029 107.773 108.800 0.005 0.000 2.397 144 G HA2 0.012 3.971 3.960 -0.001 0.000 0.211 144 G HA3 0.012 3.971 3.960 -0.001 0.000 0.211 144 G C 0.525 175.428 174.900 0.004 0.000 1.077 144 G CA 0.634 45.737 45.100 0.005 0.000 0.649 144 G HN 1.243 nan 8.290 nan 0.000 0.511 145 W N 1.165 122.466 121.300 0.003 0.000 2.478 145 W HA 0.956 5.615 4.660 -0.001 0.000 0.318 145 W C 0.094 176.615 176.519 0.003 0.000 1.062 145 W CA -0.079 57.266 57.345 0.001 0.000 1.210 145 W CB 0.375 29.835 29.460 -0.000 0.000 1.325 145 W HN 1.233 nan 8.180 nan 0.000 0.496 146 R N 1.821 122.322 120.500 0.002 0.000 2.437 146 R HA 0.736 5.075 4.340 -0.001 0.000 0.310 146 R C -1.072 175.234 176.300 0.010 0.000 0.955 146 R CA -0.516 55.590 56.100 0.010 0.000 0.851 146 R CB 1.154 31.460 30.300 0.010 0.000 1.161 146 R HN 1.199 nan 8.270 nan 0.000 0.446 147 V N 4.832 124.767 119.914 0.036 0.000 2.384 147 V HA 0.538 4.657 4.120 -0.001 0.000 0.287 147 V C -0.177 175.995 176.094 0.129 0.000 1.020 147 V CA -0.614 61.719 62.300 0.055 0.000 0.850 147 V CB 1.319 33.172 31.823 0.050 0.000 0.987 147 V HN 0.767 nan 8.190 nan 0.000 0.436 148 L N 4.087 125.381 121.223 0.118 0.000 2.334 148 L HA 0.783 5.122 4.340 -0.001 0.000 0.272 148 L C 0.951 178.023 176.870 0.336 0.000 1.020 148 L CA -0.454 54.499 54.840 0.188 0.000 0.812 148 L CB 1.468 43.576 42.059 0.082 0.000 1.264 148 L HN 0.687 nan 8.230 nan 0.000 0.439 149 G N -0.709 108.276 108.800 0.308 0.000 2.532 149 G HA2 0.722 4.681 3.960 -0.001 0.000 0.291 149 G HA3 0.722 4.681 3.960 -0.001 0.000 0.291 149 G C -0.071 174.869 174.900 0.066 0.000 1.349 149 G CA 0.117 45.296 45.100 0.132 0.000 1.038 149 G HN 0.982 nan 8.290 nan 0.000 0.518 150 G N -1.888 106.809 108.800 -0.170 0.000 2.295 150 G HA2 0.596 4.556 3.960 -0.001 0.000 0.155 150 G HA3 0.596 4.556 3.960 -0.001 0.000 0.155 150 G C -0.679 173.990 174.900 -0.385 0.000 1.307 150 G CA 0.589 45.528 45.100 -0.267 0.000 1.140 150 G HN 2.307 nan 8.290 nan 0.000 0.470 151 A N -1.956 120.568 122.820 -0.493 0.000 2.581 151 A HA 0.714 5.034 4.320 -0.001 0.000 0.294 151 A C -1.265 176.083 177.584 -0.394 0.000 1.035 151 A CA 0.242 52.050 52.037 -0.381 0.000 0.684 151 A CB 1.020 19.841 19.000 -0.298 0.000 1.282 151 A HN 1.891 nan 8.150 nan 0.000 0.417 152 V N 1.983 121.753 119.914 -0.240 0.000 2.472 152 V HA 0.668 4.787 4.120 -0.001 0.000 0.290 152 V C -0.052 175.991 176.094 -0.085 0.000 1.037 152 V CA -0.262 61.940 62.300 -0.164 0.000 0.908 152 V CB 1.081 32.856 31.823 -0.081 0.000 0.985 152 V HN 0.740 nan 8.190 nan 0.000 0.454 153 L N 3.183 124.371 121.223 -0.057 0.000 2.279 153 L HA 0.845 5.184 4.340 -0.001 0.000 0.262 153 L C -0.925 175.983 176.870 0.063 0.000 1.019 153 L CA -0.653 54.185 54.840 -0.003 0.000 0.823 153 L CB 2.180 44.215 42.059 -0.039 0.000 1.358 153 L HN 0.546 nan 8.230 nan 0.000 0.432 154 D N 0.704 121.179 120.400 0.124 0.000 2.623 154 D HA 0.544 5.183 4.640 -0.001 0.000 0.241 154 D C -1.995 174.438 176.300 0.221 0.000 1.241 154 D CA -0.323 53.803 54.000 0.209 0.000 0.788 154 D CB 2.677 43.661 40.800 0.306 0.000 1.413 154 D HN 0.331 nan 8.370 nan 0.000 0.429 155 L N 3.737 125.126 121.223 0.277 0.000 2.611 155 L HA 0.497 4.836 4.340 -0.001 0.000 0.263 155 L C -1.752 175.326 176.870 0.346 0.000 0.969 155 L CA -0.379 54.572 54.840 0.185 0.000 0.894 155 L CB 0.778 42.922 42.059 0.141 0.000 1.229 155 L HN 0.699 nan 8.230 nan 0.000 0.416 156 W N 5.201 126.610 121.300 0.181 0.000 3.164 156 W HA 0.849 5.508 4.660 -0.001 0.000 0.325 156 W C -1.016 175.585 176.519 0.137 0.000 1.228 156 W CA -0.827 56.603 57.345 0.142 0.000 1.024 156 W CB 0.214 29.718 29.460 0.074 0.000 1.534 156 W HN 0.133 nan 8.180 nan 0.000 0.614 157 V N 1.166 121.250 119.914 0.283 0.000 3.438 157 V HA 0.723 4.843 4.120 -0.001 0.000 0.298 157 V C 0.293 176.506 176.094 0.199 0.000 1.148 157 V CA -0.171 62.170 62.300 0.069 0.000 0.994 157 V CB 0.799 32.626 31.823 0.005 0.000 1.236 157 V HN 0.815 nan 8.190 nan 0.000 0.455 158 S N -1.489 114.265 115.700 0.090 0.000 2.840 158 S HA 0.361 4.830 4.470 -0.001 0.000 0.307 158 S C 0.200 174.843 174.600 0.072 0.000 1.180 158 S CA -0.389 57.888 58.200 0.128 0.000 0.846 158 S CB 1.450 64.707 63.200 0.094 0.000 1.233 158 S HN 0.575 nan 8.310 nan 0.000 0.548 159 D N 1.929 122.369 120.400 0.067 0.000 2.097 159 D HA -0.075 4.564 4.640 -0.001 0.000 0.195 159 D C 2.239 178.553 176.300 0.022 0.000 0.989 159 D CA 2.044 56.068 54.000 0.040 0.000 0.827 159 D CB -1.033 39.789 40.800 0.037 0.000 0.966 159 D HN 0.610 nan 8.370 nan 0.000 0.456 160 S N -0.284 115.428 115.700 0.020 0.000 2.399 160 S HA 0.092 4.562 4.470 -0.001 0.000 0.231 160 S C 1.790 176.386 174.600 -0.007 0.000 1.022 160 S CA 0.960 59.165 58.200 0.007 0.000 0.983 160 S CB -0.362 62.843 63.200 0.009 0.000 0.803 160 S HN 0.512 nan 8.310 nan 0.000 0.480 161 G N 0.586 109.377 108.800 -0.016 0.000 2.455 161 G HA2 0.301 4.260 3.960 -0.001 0.000 0.169 161 G HA3 0.301 4.260 3.960 -0.001 0.000 0.169 161 G C -0.251 174.593 174.900 -0.093 0.000 1.074 161 G CA -0.330 44.740 45.100 -0.050 0.000 0.796 161 G HN 1.068 nan 8.290 nan 0.000 0.489 162 A N -0.290 122.477 122.820 -0.089 0.000 2.380 162 A HA 0.918 5.238 4.320 -0.001 0.000 0.315 162 A C -0.138 177.364 177.584 -0.137 0.000 1.101 162 A CA -0.867 51.119 52.037 -0.085 0.000 0.771 162 A CB 1.156 20.152 19.000 -0.006 0.000 1.287 162 A HN 0.676 nan 8.150 nan 0.000 0.436 163 F N 0.094 120.032 119.950 -0.020 0.000 2.496 163 F HA 0.463 4.989 4.527 -0.001 0.000 0.344 163 F C 0.389 176.080 175.800 -0.181 0.000 1.155 163 F CA 0.685 58.649 58.000 -0.060 0.000 1.302 163 F CB 0.659 39.641 39.000 -0.029 0.000 1.159 163 F HN 0.322 nan 8.300 nan 0.000 0.595 164 L N 3.505 124.623 121.223 -0.176 0.000 2.436 164 L HA 0.432 4.771 4.340 -0.001 0.000 0.268 164 L C -1.438 175.072 176.870 -0.600 0.000 0.974 164 L CA -0.628 53.888 54.840 -0.541 0.000 0.826 164 L CB 2.053 43.436 42.059 -1.127 0.000 1.291 164 L HN 0.430 nan 8.230 nan 0.000 0.406 165 L N 4.488 125.513 121.223 -0.330 0.000 2.353 165 L HA 0.456 4.796 4.340 -0.001 0.000 0.270 165 L C -0.542 176.333 176.870 0.009 0.000 1.003 165 L CA -0.164 54.599 54.840 -0.128 0.000 0.862 165 L CB 1.686 43.735 42.059 -0.017 0.000 1.221 165 L HN 0.732 nan 8.230 nan 0.000 0.430 166 E N 3.829 124.038 120.200 0.016 0.000 2.249 166 E HA 0.552 4.901 4.350 -0.001 0.000 0.280 166 E C -1.645 175.067 176.600 0.187 0.000 1.016 166 E CA -0.520 56.000 56.400 0.200 0.000 0.830 166 E CB 1.781 31.726 29.700 0.409 0.000 1.081 166 E HN 0.443 nan 8.360 nan 0.000 0.395 167 V N 3.799 123.845 119.914 0.220 0.000 2.686 167 V HA 0.352 4.471 4.120 -0.001 0.000 0.306 167 V C -1.206 174.965 176.094 0.129 0.000 1.065 167 V CA -0.810 61.574 62.300 0.140 0.000 0.894 167 V CB 2.154 34.070 31.823 0.156 0.000 1.004 167 V HN 0.785 nan 8.190 nan 0.000 0.424 168 D N 4.542 124.965 120.400 0.039 0.000 2.764 168 D HA 0.477 5.117 4.640 -0.001 0.000 0.227 168 D C -2.944 173.324 176.300 -0.053 0.000 1.347 168 D CA -1.212 52.809 54.000 0.036 0.000 0.953 168 D CB 3.137 43.970 40.800 0.056 0.000 1.476 168 D HN 0.199 nan 8.370 nan 0.000 0.585 169 P HA 0.368 nan 4.420 nan 0.000 0.267 169 P C -1.057 176.116 177.300 -0.211 0.000 1.195 169 P CA 0.026 63.018 63.100 -0.180 0.000 0.773 169 P CB 0.831 32.441 31.700 -0.150 0.000 0.837 170 A N 1.324 123.924 122.820 -0.367 0.000 2.515 170 A HA 0.798 5.117 4.320 -0.001 0.000 0.299 170 A C -1.939 175.346 177.584 -0.499 0.000 1.179 170 A CA -0.274 51.599 52.037 -0.275 0.000 0.656 170 A CB 0.864 19.796 19.000 -0.113 0.000 1.306 170 A HN 0.396 nan 8.150 nan 0.000 0.459 171 Y N -0.795 119.595 120.300 0.149 0.000 2.609 171 Y HA 0.726 5.275 4.550 -0.001 0.000 0.336 171 Y C 0.055 176.026 175.900 0.119 0.000 1.129 171 Y CA -0.730 57.447 58.100 0.128 0.000 1.040 171 Y CB 1.733 40.182 38.460 -0.017 0.000 1.310 171 Y HN 0.642 nan 8.280 nan 0.000 0.460 172 R N 1.555 122.119 120.500 0.107 0.000 2.670 172 R HA 0.860 5.200 4.340 -0.001 0.000 0.289 172 R C -1.072 175.193 176.300 -0.058 0.000 0.965 172 R CA -0.813 55.195 56.100 -0.153 0.000 0.899 172 R CB 1.482 31.406 30.300 -0.628 0.000 1.173 172 R HN 0.745 nan 8.270 nan 0.000 0.456 173 I N 2.375 122.912 120.570 -0.056 0.000 2.460 173 I HA 0.650 4.820 4.170 -0.001 0.000 0.277 173 I C 0.057 176.145 176.117 -0.048 0.000 1.057 173 I CA -0.744 60.535 61.300 -0.035 0.000 1.179 173 I CB 0.917 38.907 38.000 -0.017 0.000 1.329 173 I HN 0.521 nan 8.210 nan 0.000 0.478 174 L N 3.149 124.340 121.223 -0.053 0.000 2.344 174 L HA 0.937 5.276 4.340 -0.001 0.000 0.272 174 L C 0.276 177.131 176.870 -0.026 0.000 1.035 174 L CA -0.930 53.880 54.840 -0.050 0.000 0.807 174 L CB 0.901 42.919 42.059 -0.068 0.000 1.237 174 L HN 1.064 nan 8.230 nan 0.000 0.442 175 C N 0.641 119.929 119.300 -0.020 0.000 2.399 175 C HA 0.842 5.301 4.460 -0.001 0.000 0.348 175 C C 1.070 176.057 174.990 -0.004 0.000 1.183 175 C CA 0.738 59.751 59.018 -0.009 0.000 2.023 175 C CB 1.403 29.140 27.740 -0.005 0.000 2.361 175 C HN 1.256 nan 8.230 nan 0.000 0.521 176 E N 1.254 121.455 120.200 0.002 0.000 2.876 176 E HA 0.569 4.919 4.350 -0.001 0.000 0.208 176 E C -0.085 176.521 176.600 0.010 0.000 0.981 176 E CA 0.806 57.209 56.400 0.006 0.000 1.174 176 E CB 0.213 29.916 29.700 0.006 0.000 1.047 176 E HN 1.211 nan 8.360 nan 0.000 0.477 177 M N -0.886 118.720 119.600 0.012 0.000 3.022 177 M HA 0.888 5.367 4.480 -0.001 0.000 0.289 177 M C 0.399 176.712 176.300 0.021 0.000 1.256 177 M CA 0.011 55.321 55.300 0.016 0.000 0.750 177 M CB 1.059 33.667 32.600 0.014 0.000 1.788 177 M HN 0.428 nan 8.290 nan 0.000 0.428 178 S N -1.052 114.662 115.700 0.024 0.000 2.718 178 S HA 0.792 5.262 4.470 -0.001 0.000 0.300 178 S C 1.243 175.861 174.600 0.030 0.000 1.117 178 S CA 0.216 58.436 58.200 0.032 0.000 1.002 178 S CB 1.060 64.282 63.200 0.037 0.000 1.092 178 S HN 2.302 nan 8.310 nan 0.000 0.542 179 L N 0.924 122.169 121.223 0.037 0.000 2.275 179 L HA 0.264 4.603 4.340 -0.001 0.000 0.215 179 L C 2.530 179.418 176.870 0.030 0.000 1.119 179 L CA 2.439 57.298 54.840 0.033 0.000 0.790 179 L CB -2.506 39.577 42.059 0.040 0.000 0.919 179 L HN 0.991 nan 8.230 nan 0.000 0.443 180 E N -0.846 119.374 120.200 0.032 0.000 2.166 180 E HA 0.324 4.673 4.350 -0.001 0.000 0.192 180 E C 2.440 179.053 176.600 0.022 0.000 0.967 180 E CA 1.454 57.870 56.400 0.027 0.000 0.840 180 E CB -0.583 29.135 29.700 0.029 0.000 0.795 180 E HN 0.979 nan 8.360 nan 0.000 0.470 181 A N -0.355 122.479 122.820 0.022 0.000 1.897 181 A HA 0.200 4.519 4.320 -0.001 0.000 0.215 181 A C 2.569 180.162 177.584 0.015 0.000 1.181 181 A CA 2.333 54.381 52.037 0.018 0.000 0.620 181 A CB -1.328 17.684 19.000 0.019 0.000 0.821 181 A HN 1.151 nan 8.150 nan 0.000 0.443 182 W N -0.701 120.608 121.300 0.016 0.000 2.418 182 W HA 0.259 4.919 4.660 -0.001 0.000 0.292 182 W C 2.688 179.214 176.519 0.012 0.000 1.213 182 W CA 2.298 59.651 57.345 0.013 0.000 1.283 182 W CB -0.960 28.507 29.460 0.013 0.000 1.119 182 W HN 0.571 nan 8.180 nan 0.000 0.542 183 L N 0.718 121.950 121.223 0.014 0.000 2.141 183 L HA 0.391 4.730 4.340 -0.001 0.000 0.209 183 L C 2.430 179.307 176.870 0.011 0.000 1.094 183 L CA 2.931 57.779 54.840 0.013 0.000 0.763 183 L CB -1.825 40.243 42.059 0.015 0.000 0.908 183 L HN 0.826 nan 8.230 nan 0.000 0.437 184 A N -0.905 121.922 122.820 0.012 0.000 2.066 184 A HA 0.116 4.435 4.320 -0.001 0.000 0.218 184 A C 2.367 179.956 177.584 0.009 0.000 1.157 184 A CA 1.644 53.687 52.037 0.010 0.000 0.670 184 A CB -0.713 18.294 19.000 0.011 0.000 0.804 184 A HN 1.151 nan 8.150 nan 0.000 0.453 185 Q N -0.805 119.000 119.800 0.009 0.000 2.541 185 Q HA 0.343 4.682 4.340 -0.001 0.000 0.215 185 Q C 1.310 177.314 176.000 0.007 0.000 0.977 185 Q CA 1.466 57.274 55.803 0.008 0.000 0.934 185 Q CB -1.245 27.497 28.738 0.008 0.000 0.988 185 Q HN 2.166 nan 8.270 nan 0.000 0.521 186 G N -2.347 106.457 108.800 0.007 0.000 2.842 186 G HA2 0.433 4.393 3.960 -0.001 0.000 0.242 186 G HA3 0.433 4.393 3.960 -0.001 0.000 0.242 186 G C -0.232 174.672 174.900 0.006 0.000 1.135 186 G CA 0.455 45.559 45.100 0.006 0.000 1.048 186 G HN 1.975 nan 8.290 nan 0.000 0.530 187 H N -0.861 118.213 119.070 0.007 0.000 2.996 187 H HA 0.878 5.433 4.556 -0.001 0.000 0.368 187 H C -2.360 172.973 175.328 0.008 0.000 1.185 187 H CA -0.785 55.267 56.048 0.007 0.000 1.160 187 H CB 0.889 30.655 29.762 0.007 0.000 1.820 187 H HN 0.432 nan 8.280 nan 0.000 0.547 188 P HA 0.481 nan 4.420 nan 0.000 0.272 188 P C 0.356 177.662 177.300 0.010 0.000 1.254 188 P CA 0.166 63.271 63.100 0.009 0.000 0.795 188 P CB 0.156 31.862 31.700 0.010 0.000 1.022 189 L N 0.924 122.154 121.223 0.011 0.000 2.360 189 L HA 0.398 4.737 4.340 -0.001 0.000 0.276 189 L C -1.589 175.288 176.870 0.013 0.000 1.121 189 L CA -1.423 53.424 54.840 0.012 0.000 0.845 189 L CB -1.661 40.406 42.059 0.013 0.000 1.143 189 L HN 0.394 nan 8.230 nan 0.000 0.452 190 P HA 0.533 nan 4.420 nan 0.000 0.272 190 P C 0.993 178.302 177.300 0.015 0.000 1.240 190 P CA 0.372 63.479 63.100 0.013 0.000 0.791 190 P CB 0.558 32.266 31.700 0.013 0.000 0.978 191 K N -0.174 120.234 120.400 0.013 0.000 2.202 191 K HA 0.296 4.615 4.320 -0.001 0.000 0.201 191 K C 1.360 177.971 176.600 0.018 0.000 1.051 191 K CA 1.462 57.757 56.287 0.014 0.000 0.977 191 K CB -0.665 31.840 32.500 0.009 0.000 0.792 191 K HN 0.675 nan 8.250 nan 0.000 0.469 192 R N -0.264 120.243 120.500 0.013 0.000 2.664 192 R HA 0.788 5.127 4.340 -0.001 0.000 0.286 192 R C -0.899 175.412 176.300 0.019 0.000 0.967 192 R CA -0.066 56.041 56.100 0.013 0.000 0.933 192 R CB 1.095 31.391 30.300 -0.007 0.000 1.146 192 R HN 0.715 nan 8.270 nan 0.000 0.468 193 V N 1.331 121.265 119.914 0.034 0.000 2.610 193 V HA 0.753 4.873 4.120 -0.001 0.000 0.288 193 V C -0.161 175.959 176.094 0.045 0.000 1.055 193 V CA -0.078 62.246 62.300 0.040 0.000 0.902 193 V CB 1.377 33.232 31.823 0.053 0.000 1.030 193 V HN 1.461 nan 8.190 nan 0.000 0.448 194 R N 4.199 124.695 120.500 -0.007 0.000 2.410 194 R HA 0.653 4.992 4.340 -0.001 0.000 0.288 194 R C 0.184 176.459 176.300 -0.042 0.000 1.051 194 R CA -0.405 55.662 56.100 -0.056 0.000 1.021 194 R CB 0.179 30.431 30.300 -0.080 0.000 1.032 194 R HN 0.865 nan 8.270 nan 0.000 0.481 195 N N 0.511 119.151 118.700 -0.100 0.000 2.374 195 N HA 0.152 4.891 4.740 -0.001 0.000 0.241 195 N C 1.048 176.465 175.510 -0.155 0.000 1.262 195 N CA 0.708 53.650 53.050 -0.181 0.000 0.880 195 N CB 1.245 39.421 38.487 -0.518 0.000 1.105 195 N HN 0.808 nan 8.380 nan 0.000 0.438 196 A N 1.072 123.866 122.820 -0.043 0.000 2.095 196 A HA -0.036 4.284 4.320 -0.001 0.000 0.212 196 A C 1.126 178.763 177.584 0.089 0.000 1.162 196 A CA 0.511 52.585 52.037 0.061 0.000 0.753 196 A CB -0.488 18.605 19.000 0.155 0.000 0.840 196 A HN 0.789 nan 8.150 nan 0.000 0.468 197 Y N -2.765 117.584 120.300 0.081 0.000 2.458 197 Y HA 0.572 5.121 4.550 -0.001 0.000 0.256 197 Y C 0.565 176.502 175.900 0.061 0.000 1.159 197 Y CA 0.081 58.222 58.100 0.068 0.000 1.261 197 Y CB -0.611 37.896 38.460 0.078 0.000 1.119 197 Y HN 0.242 nan 8.280 nan 0.000 0.524 198 D N 0.331 120.533 120.400 -0.330 0.000 2.867 198 D HA 0.722 5.361 4.640 -0.001 0.000 0.308 198 D C 0.782 176.974 176.300 -0.181 0.000 1.202 198 D CA -0.239 53.629 54.000 -0.219 0.000 1.035 198 D CB 0.424 41.050 40.800 -0.292 0.000 1.427 198 D HN 0.150 nan 8.370 nan 0.000 0.570 199 R N -1.723 118.684 120.500 -0.155 0.000 2.509 199 R HA 0.681 5.020 4.340 -0.001 0.000 0.297 199 R C 1.421 177.605 176.300 -0.194 0.000 0.951 199 R CA 1.297 57.312 56.100 -0.141 0.000 1.103 199 R CB -0.978 29.267 30.300 -0.092 0.000 1.283 199 R HN 1.201 nan 8.270 nan 0.000 0.534 200 R N 0.632 120.978 120.500 -0.258 0.000 2.590 200 R HA 0.542 4.881 4.340 -0.001 0.000 0.274 200 R C 0.015 175.998 176.300 -0.528 0.000 1.061 200 R CA 0.764 56.626 56.100 -0.397 0.000 1.081 200 R CB -0.235 29.793 30.300 -0.453 0.000 0.984 200 R HN 0.454 nan 8.270 nan 0.000 0.448 201 T N 0.356 114.542 114.554 -0.614 0.000 2.924 201 T HA 0.739 5.089 4.350 -0.001 0.000 0.291 201 T C -0.926 173.366 174.700 -0.680 0.000 1.045 201 T CA -0.304 61.491 62.100 -0.509 0.000 1.015 201 T CB 1.075 69.797 68.868 -0.243 0.000 1.103 201 T HN 0.720 nan 8.240 nan 0.000 0.496 202 W N -0.743 120.505 121.300 -0.087 0.000 3.031 202 W HA 0.563 5.222 4.660 -0.002 0.000 0.337 202 W C -0.017 176.466 176.519 -0.059 0.000 1.187 202 W CA -0.998 56.303 57.345 -0.074 0.000 1.166 202 W CB 0.859 30.260 29.460 -0.099 0.000 1.437 202 W HN 0.723 nan 8.180 nan 0.000 0.551 203 E N 2.167 122.496 120.200 0.214 0.000 1.932 203 E HA 0.335 4.684 4.350 -0.001 0.000 0.259 203 E C -0.530 176.123 176.600 0.088 0.000 1.099 203 E CA -0.924 55.539 56.400 0.106 0.000 0.970 203 E CB 0.211 29.953 29.700 0.069 0.000 1.143 203 E HN 0.503 nan 8.360 nan 0.000 0.441 204 L N 2.880 124.149 121.223 0.076 0.000 2.780 204 L HA -0.040 4.299 4.340 -0.001 0.000 0.275 204 L C 0.580 177.465 176.870 0.025 0.000 1.153 204 L CA 0.158 55.022 54.840 0.039 0.000 0.993 204 L CB -0.348 41.729 42.059 0.030 0.000 1.319 204 L HN 0.574 nan 8.230 nan 0.000 0.479 205 L N 5.458 126.690 121.223 0.016 0.000 2.071 205 L HA 0.225 4.564 4.340 -0.001 0.000 0.201 205 L C 1.348 178.223 176.870 0.008 0.000 1.076 205 L CA 1.284 56.132 54.840 0.012 0.000 0.755 205 L CB -0.657 41.407 42.059 0.009 0.000 0.915 205 L HN 0.808 nan 8.230 nan 0.000 0.445 206 R N -2.047 118.455 120.500 0.002 0.000 2.909 206 R HA 0.654 4.993 4.340 -0.001 0.000 0.262 206 R C -1.383 174.917 176.300 0.000 0.000 1.095 206 R CA -0.977 55.125 56.100 0.003 0.000 0.965 206 R CB 0.968 31.269 30.300 0.003 0.000 1.300 206 R HN -0.197 nan 8.270 nan 0.000 0.442 207 L N 0.260 121.484 121.223 0.002 0.000 2.334 207 L HA 0.640 4.979 4.340 -0.001 0.000 0.273 207 L C 0.108 176.977 176.870 -0.001 0.000 1.013 207 L CA -1.022 53.819 54.840 0.002 0.000 0.816 207 L CB 2.109 44.170 42.059 0.005 0.000 1.278 207 L HN 0.899 nan 8.230 nan 0.000 0.431 208 G N -0.104 108.695 108.800 -0.003 0.000 2.347 208 G HA2 0.442 4.401 3.960 -0.001 0.000 0.314 208 G HA3 0.442 4.401 3.960 -0.001 0.000 0.314 208 G C 0.167 175.064 174.900 -0.005 0.000 1.126 208 G CA -0.175 44.922 45.100 -0.006 0.000 0.929 208 G HN 0.750 nan 8.290 nan 0.000 0.441 209 E N 0.768 120.966 120.200 -0.004 0.000 2.773 209 E HA 0.510 4.859 4.350 -0.001 0.000 0.302 209 E C 0.502 177.099 176.600 -0.005 0.000 1.574 209 E CA 0.457 56.855 56.400 -0.003 0.000 1.775 209 E CB -0.691 29.008 29.700 -0.002 0.000 1.413 209 E HN 1.079 nan 8.360 nan 0.000 0.471 210 E N 0.300 120.496 120.200 -0.007 0.000 2.393 210 E HA 0.526 4.876 4.350 -0.001 0.000 0.273 210 E C -1.144 175.449 176.600 -0.011 0.000 0.918 210 E CA -0.630 55.764 56.400 -0.010 0.000 0.773 210 E CB 1.215 30.908 29.700 -0.012 0.000 1.275 210 E HN 0.264 nan 8.360 nan 0.000 0.451 211 D N 1.506 121.899 120.400 -0.012 0.000 2.312 211 D HA 0.463 5.103 4.640 -0.001 0.000 0.252 211 D C -0.623 175.666 176.300 -0.018 0.000 1.150 211 D CA -0.786 53.206 54.000 -0.013 0.000 0.870 211 D CB 1.656 42.449 40.800 -0.012 0.000 1.153 211 D HN 0.336 nan 8.370 nan 0.000 0.457 212 P HA -0.213 nan 4.420 nan 0.000 0.216 212 P C 1.223 178.504 177.300 -0.032 0.000 1.150 212 P CA 2.641 65.724 63.100 -0.029 0.000 0.837 212 P CB -0.186 31.496 31.700 -0.030 0.000 0.786 213 K N -1.244 119.141 120.400 -0.026 0.000 2.076 213 K HA 0.210 4.530 4.320 -0.001 0.000 0.204 213 K C 1.842 178.428 176.600 -0.024 0.000 1.051 213 K CA 2.028 58.300 56.287 -0.026 0.000 0.949 213 K CB -1.179 31.309 32.500 -0.021 0.000 0.726 213 K HN 0.533 nan 8.250 nan 0.000 0.443 214 E N -0.172 120.016 120.200 -0.020 0.000 2.423 214 E HA 0.591 4.940 4.350 -0.001 0.000 0.198 214 E C 0.263 176.852 176.600 -0.018 0.000 1.038 214 E CA 0.286 56.675 56.400 -0.017 0.000 1.011 214 E CB -0.849 28.842 29.700 -0.014 0.000 1.118 214 E HN 0.915 nan 8.360 nan 0.000 0.451 215 L N 0.519 121.728 121.223 -0.022 0.000 2.265 215 L HA 0.766 5.105 4.340 -0.001 0.000 0.289 215 L C -2.532 174.323 176.870 -0.025 0.000 1.033 215 L CA -2.357 52.469 54.840 -0.023 0.000 0.814 215 L CB 0.901 42.944 42.059 -0.026 0.000 1.203 215 L HN 0.029 nan 8.230 nan 0.000 0.423 216 P HA 0.294 nan 4.420 nan 0.000 0.263 216 P C -0.624 176.663 177.300 -0.022 0.000 1.195 216 P CA 0.004 63.092 63.100 -0.019 0.000 0.762 216 P CB 0.732 32.423 31.700 -0.014 0.000 0.799 217 L N 5.800 127.008 121.223 -0.024 0.000 2.283 217 L HA 0.529 4.868 4.340 -0.001 0.000 0.281 217 L C -0.878 175.981 176.870 -0.017 0.000 1.033 217 L CA -1.260 53.564 54.840 -0.026 0.000 0.848 217 L CB -0.333 41.706 42.059 -0.035 0.000 1.226 217 L HN 0.373 nan 8.230 nan 0.000 0.429 223 L N 1.865 123.054 121.223 -0.056 0.000 2.043 223 L HA 0.246 4.585 4.340 -0.001 0.000 0.212 223 L C 3.375 180.195 176.870 -0.084 0.000 1.075 223 L CA 3.524 58.316 54.840 -0.080 0.000 0.752 223 L CB -2.113 39.897 42.059 -0.082 0.000 0.891 223 L HN 2.039 nan 8.230 nan 0.000 0.432 224 L N -0.213 120.972 121.223 -0.064 0.000 2.042 224 L HA -0.084 4.255 4.340 -0.001 0.000 0.210 224 L C 2.538 179.372 176.870 -0.059 0.000 1.076 224 L CA 3.678 58.483 54.840 -0.058 0.000 0.749 224 L CB -2.218 39.816 42.059 -0.042 0.000 0.893 224 L HN 0.744 nan 8.230 nan 0.000 0.432 225 D N -2.602 117.767 120.400 -0.051 0.000 2.162 225 D HA 0.010 4.649 4.640 -0.001 0.000 0.203 225 D C 2.145 178.413 176.300 -0.054 0.000 0.967 225 D CA 2.056 56.028 54.000 -0.046 0.000 0.840 225 D CB -0.694 40.085 40.800 -0.035 0.000 0.972 225 D HN 1.076 nan 8.370 nan 0.000 0.482 226 Y N -0.904 119.359 120.300 -0.061 0.000 2.133 226 Y HA 0.149 4.698 4.550 -0.001 0.000 0.287 226 Y C 2.903 178.751 175.900 -0.087 0.000 1.134 226 Y CA 3.010 61.072 58.100 -0.064 0.000 1.133 226 Y CB -1.538 36.886 38.460 -0.060 0.000 0.987 226 Y HN 0.820 nan 8.280 nan 0.000 0.502 227 H N -1.016 117.981 119.070 -0.121 0.000 2.502 227 H HA 0.394 4.949 4.556 -0.001 0.000 0.283 227 H C 2.488 177.723 175.328 -0.155 0.000 1.015 227 H CA 1.516 57.461 56.048 -0.171 0.000 1.298 227 H CB -0.582 29.037 29.762 -0.238 0.000 1.411 227 H HN 0.838 nan 8.280 nan 0.000 0.556 228 A N 0.334 123.088 122.820 -0.110 0.000 1.970 228 A HA 0.297 4.617 4.320 -0.001 0.000 0.216 228 A C 2.556 180.097 177.584 -0.071 0.000 1.170 228 A CA 1.390 53.376 52.037 -0.086 0.000 0.645 228 A CB -0.837 18.124 19.000 -0.064 0.000 0.816 228 A HN 0.896 nan 8.150 nan 0.000 0.447 229 S N -1.004 114.657 115.700 -0.065 0.000 2.803 229 S HA 0.415 4.884 4.470 -0.001 0.000 0.228 229 S C 1.387 175.955 174.600 -0.053 0.000 0.953 229 S CA 1.092 59.262 58.200 -0.050 0.000 0.983 229 S CB -0.611 62.566 63.200 -0.039 0.000 0.784 229 S HN 0.687 nan 8.310 nan 0.000 0.498 230 K N -0.596 119.758 120.400 -0.076 0.000 2.425 230 K HA 0.588 4.907 4.320 -0.001 0.000 0.201 230 K C 1.271 177.823 176.600 -0.079 0.000 1.128 230 K CA 0.807 57.046 56.287 -0.080 0.000 1.000 230 K CB -0.368 32.061 32.500 -0.119 0.000 0.961 230 K HN 1.471 nan 8.250 nan 0.000 0.555 231 G N -1.872 106.879 108.800 -0.083 0.000 2.192 231 G HA2 0.043 4.002 3.960 -0.001 0.000 0.193 231 G HA3 0.043 4.002 3.960 -0.001 0.000 0.193 231 G C 1.270 176.123 174.900 -0.078 0.000 0.999 231 G CA 0.842 45.905 45.100 -0.063 0.000 0.659 231 G HN 1.040 nan 8.290 nan 0.000 0.503 232 R N -0.340 120.079 120.500 -0.134 0.000 2.148 232 R HA 0.653 4.992 4.340 -0.001 0.000 0.223 232 R C 3.108 179.362 176.300 -0.077 0.000 1.088 232 R CA 2.161 58.171 56.100 -0.150 0.000 0.985 232 R CB -1.391 28.731 30.300 -0.297 0.000 0.880 232 R HN 1.778 nan 8.270 nan 0.000 0.451 233 L N 0.090 121.271 121.223 -0.070 0.000 2.456 233 L HA 0.335 4.674 4.340 -0.001 0.000 0.224 233 L C 1.996 178.851 176.870 -0.024 0.000 1.148 233 L CA 1.821 56.635 54.840 -0.044 0.000 0.825 233 L CB -2.195 39.837 42.059 -0.045 0.000 0.937 233 L HN 0.872 nan 8.230 nan 0.000 0.450 234 Q N -0.743 119.045 119.800 -0.021 0.000 2.293 234 Q HA 0.495 4.834 4.340 -0.001 0.000 0.251 234 Q C 1.542 177.544 176.000 0.003 0.000 0.930 234 Q CA 0.339 56.138 55.803 -0.008 0.000 0.893 234 Q CB 0.179 28.912 28.738 -0.008 0.000 1.215 234 Q HN 2.129 nan 8.270 nan 0.000 0.425 235 G N -1.092 107.712 108.800 0.007 0.000 2.186 235 G HA2 0.140 4.099 3.960 -0.001 0.000 0.266 235 G HA3 0.140 4.099 3.960 -0.001 0.000 0.266 235 G C 0.469 175.380 174.900 0.019 0.000 0.982 235 G CA 1.512 46.620 45.100 0.014 0.000 0.670 235 G HN 2.003 nan 8.290 nan 0.000 0.533 236 R N -2.127 118.382 120.500 0.015 0.000 2.752 236 R HA 1.016 5.355 4.340 -0.001 0.000 0.271 236 R C -0.488 175.819 176.300 0.012 0.000 1.026 236 R CA 1.036 57.148 56.100 0.021 0.000 0.901 236 R CB 0.461 30.782 30.300 0.034 0.000 1.243 236 R HN 1.887 nan 8.270 nan 0.000 0.463 237 E N 0.098 120.307 120.200 0.016 0.000 2.402 237 E HA 0.568 4.917 4.350 -0.001 0.000 0.244 237 E C 0.488 177.095 176.600 0.012 0.000 0.945 237 E CA -0.590 55.815 56.400 0.009 0.000 0.774 237 E CB 1.057 30.762 29.700 0.008 0.000 1.296 237 E HN 1.899 nan 8.360 nan 0.000 0.414 238 G N 1.147 109.949 108.800 0.004 0.000 2.224 238 G HA2 0.384 4.344 3.960 -0.001 0.000 0.239 238 G HA3 0.384 4.344 3.960 -0.001 0.000 0.239 238 G C 0.907 175.811 174.900 0.007 0.000 1.240 238 G CA 0.539 45.642 45.100 0.005 0.000 0.896 238 G HN 0.879 nan 8.290 nan 0.000 0.496 239 G N 1.278 110.089 108.800 0.019 0.000 3.086 239 G HA2 0.651 4.610 3.960 -0.001 0.000 0.159 239 G HA3 0.651 4.610 3.960 -0.001 0.000 0.159 239 G C 0.685 175.590 174.900 0.009 0.000 1.654 239 G CA 0.336 45.445 45.100 0.016 0.000 1.078 239 G HN 0.989 nan 8.290 nan 0.000 0.558 240 R N -1.726 118.781 120.500 0.012 0.000 2.549 240 R HA 0.757 5.097 4.340 -0.001 0.000 0.259 240 R C 0.537 176.841 176.300 0.007 0.000 1.095 240 R CA -0.143 55.960 56.100 0.005 0.000 1.148 240 R CB -0.745 29.558 30.300 0.006 0.000 1.181 240 R HN 1.629 nan 8.270 nan 0.000 0.571 241 V N -0.428 119.485 119.914 -0.002 0.000 2.673 241 V HA 0.535 4.655 4.120 -0.001 0.000 0.303 241 V C 0.807 176.903 176.094 0.004 0.000 1.046 241 V CA 0.367 62.665 62.300 -0.004 0.000 1.126 241 V CB 0.645 32.460 31.823 -0.013 0.000 0.934 241 V HN 1.512 nan 8.190 nan 0.000 0.487 242 A N 4.443 127.270 122.820 0.011 0.000 2.709 242 A HA 0.567 4.886 4.320 -0.001 0.000 0.332 242 A C -0.138 177.434 177.584 -0.020 0.000 1.241 242 A CA 0.141 52.182 52.037 0.005 0.000 0.782 242 A CB -0.104 18.909 19.000 0.022 0.000 1.109 242 A HN 2.378 nan 8.150 nan 0.000 0.472 243 W N 2.748 124.033 121.300 -0.025 0.000 2.712 243 W HA 0.458 5.117 4.660 -0.001 0.000 0.345 243 W C -0.626 175.861 176.519 -0.053 0.000 1.424 243 W CA -0.160 57.160 57.345 -0.041 0.000 1.375 243 W CB -0.611 28.833 29.460 -0.026 0.000 1.483 243 W HN 0.643 nan 8.180 nan 0.000 0.561 244 V N 2.698 122.549 119.914 -0.105 0.000 3.093 244 V HA 0.925 5.044 4.120 -0.001 0.000 0.320 244 V C 0.593 176.641 176.094 -0.076 0.000 1.093 244 V CA -0.662 61.570 62.300 -0.112 0.000 1.016 244 V CB 1.453 33.108 31.823 -0.280 0.000 1.096 244 V HN 1.325 nan 8.190 nan 0.000 0.452 245 A N 0.589 123.424 122.820 0.026 0.000 2.475 245 A HA 0.639 4.958 4.320 -0.001 0.000 0.301 245 A C -0.882 176.853 177.584 0.252 0.000 1.059 245 A CA -0.555 51.534 52.037 0.086 0.000 0.710 245 A CB 1.404 20.441 19.000 0.061 0.000 1.288 245 A HN 0.800 nan 8.150 nan 0.000 0.408 246 D N 2.159 122.732 120.400 0.289 0.000 2.390 246 D HA 0.403 5.042 4.640 -0.001 0.000 0.236 246 D C -0.634 175.765 176.300 0.165 0.000 1.189 246 D CA 0.148 54.358 54.000 0.349 0.000 0.887 246 D CB 1.087 42.035 40.800 0.248 0.000 1.198 246 D HN 0.279 nan 8.370 nan 0.000 0.444 247 P HA -0.033 nan 4.420 nan 0.000 0.222 247 P C 1.103 178.398 177.300 -0.009 0.000 1.157 247 P CA 2.233 65.334 63.100 0.003 0.000 0.816 247 P CB -0.252 31.409 31.700 -0.064 0.000 0.813 248 K N -0.779 119.618 120.400 -0.005 0.000 2.005 248 K HA 0.173 4.492 4.320 -0.001 0.000 0.206 248 K C 1.318 177.924 176.600 0.010 0.000 1.044 248 K CA 1.704 57.987 56.287 -0.008 0.000 0.942 248 K CB -1.420 31.075 32.500 -0.008 0.000 0.727 248 K HN 0.507 nan 8.250 nan 0.000 0.439 249 D N 0.278 120.700 120.400 0.036 0.000 2.479 249 D HA 0.550 5.189 4.640 -0.001 0.000 0.218 249 D C -0.919 175.409 176.300 0.046 0.000 1.131 249 D CA -0.659 53.365 54.000 0.040 0.000 0.916 249 D CB 0.667 41.498 40.800 0.051 0.000 1.022 249 D HN 0.402 nan 8.370 nan 0.000 0.515 250 P HA 0.086 nan 4.420 nan 0.000 0.233 250 P C 1.818 179.134 177.300 0.027 0.000 1.167 250 P CA 1.876 64.991 63.100 0.026 0.000 0.770 250 P CB -0.013 31.689 31.700 0.004 0.000 0.837 251 R N -0.572 119.944 120.500 0.026 0.000 2.064 251 R HA 0.364 4.704 4.340 -0.001 0.000 0.221 251 R C 1.816 178.131 176.300 0.025 0.000 1.136 251 R CA 1.697 57.811 56.100 0.023 0.000 0.980 251 R CB -1.417 28.896 30.300 0.022 0.000 0.876 251 R HN 0.601 nan 8.270 nan 0.000 0.437 252 K N 3.120 123.539 120.400 0.030 0.000 2.349 252 K HA 0.483 4.802 4.320 -0.001 0.000 0.289 252 K C -2.550 174.064 176.600 0.023 0.000 1.064 252 K CA -1.651 54.652 56.287 0.026 0.000 0.947 252 K CB 0.197 32.715 32.500 0.031 0.000 1.007 252 K HN 0.450 nan 8.250 nan 0.000 0.478 253 P HA 0.558 nan 4.420 nan 0.000 0.279 253 P C -0.617 176.659 177.300 -0.040 0.000 1.252 253 P CA -0.562 62.528 63.100 -0.016 0.000 0.811 253 P CB 0.732 32.422 31.700 -0.016 0.000 1.035 254 I N 1.377 121.892 120.570 -0.092 0.000 2.586 254 I HA 0.293 4.463 4.170 -0.001 0.000 0.288 254 I C -2.549 173.477 176.117 -0.152 0.000 1.147 254 I CA -2.576 58.645 61.300 -0.131 0.000 1.047 254 I CB 2.376 40.246 38.000 -0.216 0.000 1.244 254 I HN 0.126 nan 8.210 nan 0.000 0.429 255 P HA 0.226 nan 4.420 nan 0.000 0.271 255 P C -1.176 176.092 177.300 -0.053 0.000 1.233 255 P CA 0.113 63.170 63.100 -0.071 0.000 0.789 255 P CB 0.425 32.090 31.700 -0.058 0.000 0.951 256 H N -2.033 116.952 119.070 -0.141 0.000 3.005 256 H HA 0.533 5.088 4.556 -0.001 0.000 0.311 256 H C -1.262 174.026 175.328 -0.067 0.000 1.366 256 H CA -0.737 55.233 56.048 -0.129 0.000 1.210 256 H CB 0.254 29.880 29.762 -0.227 0.000 1.894 256 H HN 0.276 nan 8.280 nan 0.000 0.520 257 L N 1.436 122.655 121.223 -0.007 0.000 2.326 257 L HA 0.390 4.729 4.340 -0.001 0.000 0.278 257 L C 1.496 178.485 176.870 0.198 0.000 1.092 257 L CA 0.087 54.965 54.840 0.064 0.000 0.810 257 L CB 0.227 42.264 42.059 -0.037 0.000 1.153 257 L HN 0.962 nan 8.230 nan 0.000 0.439 258 T N -1.162 113.456 114.554 0.107 0.000 3.227 258 T HA 0.129 4.478 4.350 -0.001 0.000 0.257 258 T C 1.433 176.186 174.700 0.088 0.000 1.162 258 T CA 1.164 63.319 62.100 0.092 0.000 1.051 258 T CB -0.322 68.577 68.868 0.052 0.000 0.953 258 T HN 1.210 nan 8.240 nan 0.000 0.535 259 G N 0.627 109.485 108.800 0.097 0.000 2.608 259 G HA2 0.350 4.309 3.960 -0.001 0.000 0.210 259 G HA3 0.350 4.309 3.960 -0.001 0.000 0.210 259 G C 1.430 176.407 174.900 0.128 0.000 1.139 259 G CA 0.340 45.491 45.100 0.085 0.000 0.812 259 G HN 0.708 nan 8.290 nan 0.000 0.529 260 L N 0.603 121.944 121.223 0.197 0.000 2.627 260 L HA 0.732 5.071 4.340 -0.001 0.000 0.232 260 L C 0.558 177.632 176.870 0.339 0.000 1.150 260 L CA 0.208 55.243 54.840 0.324 0.000 0.917 260 L CB -1.017 41.294 42.059 0.420 0.000 1.104 260 L HN 0.163 nan 8.230 nan 0.000 0.445 261 L N -0.217 121.125 121.223 0.199 0.000 2.362 261 L HA 0.791 5.131 4.340 -0.001 0.000 0.271 261 L C -0.901 176.012 176.870 0.071 0.000 1.002 261 L CA -1.122 53.781 54.840 0.105 0.000 0.818 261 L CB 2.179 44.271 42.059 0.055 0.000 1.298 261 L HN -0.011 nan 8.230 nan 0.000 0.420 262 V N 2.368 122.308 119.914 0.044 0.000 2.604 262 V HA 0.420 4.540 4.120 -0.001 0.000 0.305 262 V C -2.399 173.706 176.094 0.018 0.000 1.043 262 V CA -1.973 60.345 62.300 0.030 0.000 0.888 262 V CB 1.991 33.827 31.823 0.021 0.000 0.995 262 V HN 0.578 nan 8.190 nan 0.000 0.429 263 P HA 0.297 nan 4.420 nan 0.000 0.276 263 P C -0.323 176.978 177.300 0.001 0.000 1.235 263 P CA 0.070 63.177 63.100 0.011 0.000 0.772 263 P CB 0.667 32.373 31.700 0.011 0.000 0.871 264 V N 3.497 123.410 119.914 -0.002 0.000 2.267 264 V HA 0.449 4.568 4.120 -0.001 0.000 0.254 264 V C 0.684 176.774 176.094 -0.008 0.000 1.144 264 V CA -0.516 61.778 62.300 -0.011 0.000 0.992 264 V CB -0.625 31.187 31.823 -0.019 0.000 1.199 264 V HN 0.546 nan 8.190 nan 0.000 0.493 265 L N 3.569 124.787 121.223 -0.008 0.000 2.426 265 L HA 0.913 5.253 4.340 -0.001 0.000 0.271 265 L C 0.865 177.730 176.870 -0.008 0.000 1.169 265 L CA 0.793 55.629 54.840 -0.006 0.000 0.836 265 L CB -0.216 41.840 42.059 -0.006 0.000 1.112 265 L HN 1.218 nan 8.230 nan 0.000 0.465 266 T N 0.476 115.028 114.554 -0.004 0.000 3.482 266 T HA 0.561 4.910 4.350 -0.001 0.000 0.195 266 T C 1.946 176.645 174.700 -0.002 0.000 0.940 266 T CA 1.745 63.843 62.100 -0.003 0.000 1.044 266 T CB -0.914 67.953 68.868 -0.002 0.000 1.209 266 T HN 1.791 nan 8.240 nan 0.000 0.318 267 L N 1.273 122.496 121.223 0.001 0.000 1.970 267 L HA 0.482 4.821 4.340 -0.001 0.000 0.212 267 L C 2.128 178.998 176.870 -0.001 0.000 1.071 267 L CA 3.255 58.096 54.840 0.002 0.000 0.751 267 L CB -2.440 39.623 42.059 0.007 0.000 0.889 267 L HN 1.706 nan 8.230 nan 0.000 0.432 282 P HA 0.518 nan 4.420 nan 0.000 0.282 282 P C 0.806 178.176 177.300 0.117 0.000 1.259 282 P CA 0.463 63.614 63.100 0.084 0.000 0.826 282 P CB 0.874 32.569 31.700 -0.008 0.000 1.064 283 W N 0.574 121.935 121.300 0.101 0.000 2.467 283 W HA 0.022 4.682 4.660 -0.001 0.000 0.275 283 W C 1.358 177.943 176.519 0.111 0.000 1.239 283 W CA 1.739 59.178 57.345 0.158 0.000 1.266 283 W CB -1.253 28.314 29.460 0.178 0.000 1.112 283 W HN 0.533 nan 8.180 nan 0.000 0.576 284 E N 2.037 121.745 120.200 -0.820 0.000 2.031 284 E HA -0.300 4.049 4.350 -0.001 0.000 0.193 284 E C 1.873 178.272 176.600 -0.335 0.000 0.994 284 E CA 2.024 57.944 56.400 -0.800 0.000 0.800 284 E CB -1.162 28.099 29.700 -0.733 0.000 0.752 284 E HN 0.615 nan 8.360 nan 0.000 0.447 285 E N -0.409 119.668 120.200 -0.205 0.000 2.072 285 E HA -0.171 4.178 4.350 -0.001 0.000 0.190 285 E C 2.410 178.964 176.600 -0.076 0.000 0.982 285 E CA 0.981 57.314 56.400 -0.111 0.000 0.803 285 E CB -0.071 29.596 29.700 -0.055 0.000 0.755 285 E HN 0.444 nan 8.360 nan 0.000 0.453 286 R N 0.863 121.359 120.500 -0.007 0.000 2.081 286 R HA -0.177 4.162 4.340 -0.001 0.000 0.235 286 R C 2.603 178.842 176.300 -0.102 0.000 1.131 286 R CA 1.675 57.798 56.100 0.040 0.000 0.960 286 R CB -0.281 30.148 30.300 0.215 0.000 0.856 286 R HN 0.073 nan 8.270 nan 0.000 0.436 287 R N 0.852 121.184 120.500 -0.280 0.000 2.080 287 R HA -0.220 4.119 4.340 -0.001 0.000 0.236 287 R C 2.358 178.448 176.300 -0.350 0.000 1.137 287 R CA 1.979 57.681 56.100 -0.665 0.000 0.943 287 R CB -0.510 29.451 30.300 -0.565 0.000 0.846 287 R HN 0.264 nan 8.270 nan 0.000 0.431 288 R N 0.334 120.697 120.500 -0.229 0.000 2.127 288 R HA -0.159 4.180 4.340 -0.001 0.000 0.228 288 R C 2.372 178.593 176.300 -0.133 0.000 1.125 288 R CA 1.831 57.834 56.100 -0.161 0.000 0.904 288 R CB -0.452 29.771 30.300 -0.128 0.000 0.831 288 R HN 0.192 nan 8.270 nan 0.000 0.431 289 R N -0.165 120.268 120.500 -0.110 0.000 2.174 289 R HA -0.151 4.188 4.340 -0.001 0.000 0.253 289 R C 2.184 178.413 176.300 -0.118 0.000 1.165 289 R CA 2.245 58.282 56.100 -0.105 0.000 0.984 289 R CB -0.769 29.476 30.300 -0.093 0.000 0.873 289 R HN 0.514 nan 8.270 nan 0.000 0.456 290 T N 0.116 114.611 114.554 -0.097 0.000 2.812 290 T HA -0.040 4.310 4.350 -0.001 0.000 0.264 290 T C 1.880 176.554 174.700 -0.043 0.000 1.042 290 T CA 0.833 62.914 62.100 -0.033 0.000 1.140 290 T CB -0.069 68.836 68.868 0.062 0.000 0.870 290 T HN 0.313 nan 8.240 nan 0.000 0.445 291 R N 0.920 121.386 120.500 -0.056 0.000 2.096 291 R HA -0.061 4.278 4.340 -0.001 0.000 0.235 291 R C 2.460 178.663 176.300 -0.162 0.000 1.127 291 R CA 1.244 57.298 56.100 -0.077 0.000 0.968 291 R CB -0.161 30.088 30.300 -0.086 0.000 0.861 291 R HN 0.582 nan 8.270 nan 0.000 0.440 292 E N 0.715 120.834 120.200 -0.135 0.000 2.001 292 E HA -0.173 4.176 4.350 -0.001 0.000 0.195 292 E C 1.974 178.475 176.600 -0.164 0.000 1.002 292 E CA 1.196 57.527 56.400 -0.115 0.000 0.819 292 E CB -0.152 29.496 29.700 -0.088 0.000 0.769 292 E HN 0.191 nan 8.360 nan 0.000 0.454 293 I N 1.243 121.671 120.570 -0.238 0.000 2.479 293 I HA -0.281 3.888 4.170 -0.001 0.000 0.258 293 I C 2.303 178.198 176.117 -0.369 0.000 1.165 293 I CA 1.270 62.344 61.300 -0.376 0.000 1.422 293 I CB -1.419 36.351 38.000 -0.384 0.000 1.087 293 I HN 0.074 nan 8.210 nan 0.000 0.441 294 A N 0.326 122.904 122.820 -0.403 0.000 1.903 294 A HA -0.052 4.267 4.320 -0.001 0.000 0.213 294 A C 2.583 179.949 177.584 -0.363 0.000 1.185 294 A CA 1.258 52.937 52.037 -0.596 0.000 0.628 294 A CB -0.502 17.630 19.000 -1.448 0.000 0.830 294 A HN 0.359 nan 8.150 nan 0.000 0.446 295 S N -0.575 114.980 115.700 -0.241 0.000 2.363 295 S HA -0.203 4.266 4.470 -0.001 0.000 0.218 295 S C 1.628 176.255 174.600 0.044 0.000 1.035 295 S CA 1.512 59.657 58.200 -0.092 0.000 1.043 295 S CB -0.645 62.525 63.200 -0.050 0.000 0.986 295 S HN 0.857 nan 8.310 nan 0.000 0.423 296 W N 3.631 124.845 121.300 -0.144 0.000 2.284 296 W HA -0.330 4.329 4.660 -0.001 0.000 0.337 296 W C 2.410 178.858 176.519 -0.118 0.000 1.322 296 W CA 2.420 59.697 57.345 -0.113 0.000 1.245 296 W CB -1.472 27.928 29.460 -0.100 0.000 1.141 296 W HN 0.267 nan 8.180 nan 0.000 0.465 297 I N 1.854 122.989 120.570 0.941 0.000 2.248 297 I HA -0.097 4.072 4.170 -0.001 0.000 0.248 297 I C 2.635 178.844 176.117 0.154 0.000 1.107 297 I CA 3.358 64.981 61.300 0.539 0.000 1.373 297 I CB -2.052 35.981 38.000 0.055 0.000 1.055 297 I HN 0.336 nan 8.210 nan 0.000 0.418 298 G N 0.084 108.906 108.800 0.037 0.000 2.469 298 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.220 298 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.220 298 G C 1.891 176.771 174.900 -0.033 0.000 1.136 298 G CA 1.108 46.187 45.100 -0.035 0.000 0.759 298 G HN 0.753 nan 8.290 nan 0.000 0.562 299 R N 0.526 121.011 120.500 -0.025 0.000 2.175 299 R HA 0.171 4.510 4.340 -0.001 0.000 0.202 299 R C 1.917 178.162 176.300 -0.091 0.000 1.018 299 R CA 0.125 56.189 56.100 -0.060 0.000 1.029 299 R CB -0.331 29.930 30.300 -0.066 0.000 0.959 299 R HN 0.243 nan 8.270 nan 0.000 0.480 300 R N 0.626 121.056 120.500 -0.117 0.000 2.343 300 R HA 0.078 4.417 4.340 -0.001 0.000 0.202 300 R C 0.565 176.818 176.300 -0.077 0.000 1.023 300 R CA 0.107 56.111 56.100 -0.160 0.000 1.084 300 R CB 0.183 30.288 30.300 -0.324 0.000 0.956 300 R HN 0.103 nan 8.270 nan 0.000 0.478 301 L N -1.753 119.434 121.223 -0.061 0.000 3.128 301 L HA 0.304 4.644 4.340 -0.001 0.000 0.277 301 L C 0.785 177.599 176.870 -0.093 0.000 1.171 301 L CA 0.713 55.515 54.840 -0.063 0.000 1.008 301 L CB 0.708 42.732 42.059 -0.058 0.000 1.442 301 L HN 0.257 nan 8.230 nan 0.000 0.584 302 G N 0.900 109.650 108.800 -0.084 0.000 2.272 302 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.280 302 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.280 302 G C 0.662 175.499 174.900 -0.105 0.000 1.067 302 G CA 0.736 45.787 45.100 -0.083 0.000 0.902 302 G HN 0.349 nan 8.290 nan 0.000 0.500 303 L N -0.893 120.265 121.223 -0.109 0.000 2.920 303 L HA 0.511 4.850 4.340 -0.001 0.000 0.257 303 L C 1.410 178.248 176.870 -0.053 0.000 1.150 303 L CA 0.378 55.140 54.840 -0.129 0.000 0.959 303 L CB 0.324 42.253 42.059 -0.217 0.000 1.321 303 L HN 1.254 nan 8.230 nan 0.000 0.555 304 G N 0.239 109.013 108.800 -0.043 0.000 2.498 304 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.651 304 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.651 304 G C -0.455 174.435 174.900 -0.017 0.000 1.284 304 G CA -0.814 44.274 45.100 -0.019 0.000 0.950 304 G HN -0.166 nan 8.290 nan 0.000 0.511 305 T N 3.171 117.723 114.554 -0.004 0.000 2.799 305 T HA 0.486 4.835 4.350 -0.001 0.000 0.296 305 T C -2.043 172.668 174.700 0.019 0.000 0.947 305 T CA 0.038 62.138 62.100 0.000 0.000 1.141 305 T CB 0.948 69.821 68.868 0.009 0.000 0.891 305 T HN 0.472 nan 8.240 nan 0.000 0.533 306 P HA 0.260 nan 4.420 nan 0.000 0.268 306 P C -0.377 177.024 177.300 0.168 0.000 1.282 306 P CA -0.272 62.853 63.100 0.042 0.000 0.880 306 P CB 0.269 31.869 31.700 -0.166 0.000 0.971 307 E N 2.937 123.252 120.200 0.192 0.000 2.105 307 E HA 0.409 4.759 4.350 -0.001 0.000 0.285 307 E C -0.092 176.663 176.600 0.258 0.000 1.055 307 E CA -0.537 55.981 56.400 0.197 0.000 0.843 307 E CB 0.255 30.028 29.700 0.122 0.000 1.067 307 E HN 0.378 nan 8.360 nan 0.000 0.398 308 A N 4.621 127.615 122.820 0.290 0.000 2.496 308 A HA 0.146 4.465 4.320 -0.001 0.000 0.278 308 A C 0.372 178.034 177.584 0.131 0.000 1.137 308 A CA -0.188 51.920 52.037 0.119 0.000 0.805 308 A CB -0.291 18.798 19.000 0.147 0.000 1.077 308 A HN 0.606 nan 8.150 nan 0.000 0.513 309 V N 2.808 122.719 119.914 -0.006 0.000 2.901 309 V HA 0.539 4.659 4.120 -0.001 0.000 0.307 309 V C 0.520 176.623 176.094 0.015 0.000 1.084 309 V CA 0.906 63.213 62.300 0.011 0.000 1.184 309 V CB 0.448 32.264 31.823 -0.011 0.000 0.941 309 V HN 1.433 nan 8.190 nan 0.000 0.493 310 R N 3.612 124.083 120.500 -0.048 0.000 2.807 310 R HA 0.957 5.296 4.340 -0.001 0.000 0.276 310 R C -0.300 175.935 176.300 -0.107 0.000 0.979 310 R CA -0.373 55.636 56.100 -0.153 0.000 0.928 310 R CB 1.639 31.777 30.300 -0.269 0.000 1.191 310 R HN 2.321 nan 8.270 nan 0.000 0.471 311 A N 0.768 123.513 122.820 -0.124 0.000 2.527 311 A HA 0.679 4.998 4.320 -0.001 0.000 0.293 311 A C -1.295 176.215 177.584 -0.123 0.000 1.117 311 A CA -0.701 51.281 52.037 -0.093 0.000 0.723 311 A CB 1.723 20.688 19.000 -0.058 0.000 1.313 311 A HN 0.763 nan 8.150 nan 0.000 0.411 312 Q N 0.499 120.235 119.800 -0.106 0.000 2.288 312 Q HA 0.613 4.952 4.340 -0.001 0.000 0.258 312 Q C 0.074 175.984 176.000 -0.149 0.000 0.957 312 Q CA 0.363 56.069 55.803 -0.162 0.000 0.919 312 Q CB 1.361 30.012 28.738 -0.144 0.000 1.185 312 Q HN 0.951 nan 8.270 nan 0.000 0.408 313 A N 2.593 125.275 122.820 -0.230 0.000 2.282 313 A HA 0.826 5.145 4.320 -0.001 0.000 0.324 313 A C -1.347 176.090 177.584 -0.244 0.000 1.119 313 A CA -0.644 51.319 52.037 -0.123 0.000 0.880 313 A CB 0.994 19.929 19.000 -0.108 0.000 1.294 313 A HN 0.712 nan 8.150 nan 0.000 0.493 314 Y N -1.067 119.189 120.300 -0.074 0.000 2.307 314 Y HA 0.512 5.061 4.550 -0.001 0.000 0.323 314 Y C 0.775 176.674 175.900 -0.000 0.000 1.100 314 Y CA -0.601 57.495 58.100 -0.005 0.000 1.140 314 Y CB 1.233 39.745 38.460 0.087 0.000 1.159 314 Y HN 0.915 nan 8.280 nan 0.000 0.436 315 R N 3.941 124.489 120.500 0.079 0.000 2.457 315 R HA 0.305 4.644 4.340 -0.001 0.000 0.335 315 R C -0.380 175.966 176.300 0.077 0.000 1.003 315 R CA -0.072 56.048 56.100 0.034 0.000 1.003 315 R CB -1.014 29.291 30.300 0.009 0.000 0.950 315 R HN 0.777 nan 8.270 nan 0.000 0.428 316 L N 2.235 123.483 121.223 0.042 0.000 2.461 316 L HA 0.156 4.495 4.340 -0.001 0.000 0.272 316 L C 1.213 178.229 176.870 0.243 0.000 1.197 316 L CA -0.145 54.776 54.840 0.134 0.000 0.836 316 L CB 1.299 43.433 42.059 0.125 0.000 1.105 316 L HN 0.906 nan 8.230 nan 0.000 0.477 317 S N 3.212 119.094 115.700 0.303 0.000 2.515 317 S HA 0.208 4.678 4.470 -0.001 0.000 0.285 317 S C 0.055 174.917 174.600 0.437 0.000 1.265 317 S CA -0.738 57.645 58.200 0.306 0.000 1.079 317 S CB -0.168 63.172 63.200 0.232 0.000 0.877 317 S HN 0.380 nan 8.310 nan 0.000 0.493 318 I N 4.421 125.143 120.570 0.254 0.000 2.948 318 I HA 0.044 4.213 4.170 -0.001 0.000 0.303 318 I C -1.818 174.226 176.117 -0.121 0.000 1.224 318 I CA -1.145 60.216 61.300 0.100 0.000 1.442 318 I CB -0.004 38.034 38.000 0.064 0.000 1.328 318 I HN 0.494 nan 8.210 nan 0.000 0.578 319 P HA 0.236 nan 4.420 nan 0.000 0.277 319 P C -0.789 176.367 177.300 -0.241 0.000 1.240 319 P CA -0.495 62.176 63.100 -0.715 0.000 0.798 319 P CB 0.572 31.632 31.700 -1.067 0.000 0.979 320 K N 2.961 123.315 120.400 -0.077 0.000 2.244 320 K HA 0.269 4.588 4.320 -0.001 0.000 0.263 320 K C -0.081 176.504 176.600 -0.024 0.000 1.103 320 K CA -0.400 55.875 56.287 -0.019 0.000 0.966 320 K CB -0.869 31.653 32.500 0.037 0.000 1.429 320 K HN 0.498 nan 8.250 nan 0.000 0.434 321 L N 2.112 123.306 121.223 -0.047 0.000 2.410 321 L HA 0.398 4.737 4.340 -0.001 0.000 0.273 321 L C -0.042 176.839 176.870 0.019 0.000 1.144 321 L CA -0.480 54.343 54.840 -0.028 0.000 0.863 321 L CB 1.235 43.292 42.059 -0.003 0.000 1.140 321 L HN 0.731 nan 8.230 nan 0.000 0.463 322 M N 3.209 122.828 119.600 0.031 0.000 2.125 322 M HA 0.401 4.881 4.480 -0.001 0.000 0.321 322 M C 0.299 176.697 176.300 0.165 0.000 0.983 322 M CA -0.336 55.032 55.300 0.113 0.000 0.934 322 M CB 1.474 34.196 32.600 0.203 0.000 1.542 322 M HN 0.499 nan 8.290 nan 0.000 0.424 323 G N 2.538 111.417 108.800 0.130 0.000 3.048 323 G HA2 0.089 4.048 3.960 -0.001 0.000 0.151 323 G HA3 0.089 4.048 3.960 -0.001 0.000 0.151 323 G C 0.711 175.707 174.900 0.160 0.000 1.803 323 G CA 0.178 45.361 45.100 0.138 0.000 1.047 323 G HN 0.643 nan 8.290 nan 0.000 0.513 324 R N -0.044 120.481 120.500 0.041 0.000 2.066 324 R HA 0.225 4.564 4.340 -0.001 0.000 0.224 324 R C 1.823 178.123 176.300 -0.000 0.000 1.122 324 R CA 1.518 57.611 56.100 -0.013 0.000 0.974 324 R CB -0.976 29.283 30.300 -0.069 0.000 0.871 324 R HN 0.529 nan 8.270 nan 0.000 0.435 325 R N 0.462 120.960 120.500 -0.004 0.000 2.573 325 R HA 0.788 5.127 4.340 -0.001 0.000 0.272 325 R C 0.007 176.323 176.300 0.027 0.000 1.009 325 R CA -0.145 55.959 56.100 0.007 0.000 1.059 325 R CB -0.280 30.014 30.300 -0.010 0.000 1.112 325 R HN 0.516 nan 8.270 nan 0.000 0.517 326 A N 0.370 123.209 122.820 0.032 0.000 2.547 326 A HA 0.483 4.802 4.320 -0.001 0.000 0.233 326 A C 0.620 178.220 177.584 0.026 0.000 1.067 326 A CA 0.684 52.743 52.037 0.037 0.000 0.763 326 A CB -0.211 18.808 19.000 0.032 0.000 1.007 326 A HN 2.100 nan 8.150 nan 0.000 0.506 327 V N -1.420 118.511 119.914 0.029 0.000 3.159 327 V HA 0.748 4.867 4.120 -0.001 0.000 0.308 327 V C 0.528 176.643 176.094 0.036 0.000 1.190 327 V CA 0.109 62.423 62.300 0.023 0.000 1.037 327 V CB 1.371 33.204 31.823 0.018 0.000 1.060 327 V HN 1.424 nan 8.190 nan 0.000 0.437 328 S N -0.119 115.604 115.700 0.038 0.000 2.497 328 S HA 0.307 4.776 4.470 -0.001 0.000 0.218 328 S C 0.407 175.082 174.600 0.125 0.000 1.023 328 S CA 0.409 58.654 58.200 0.074 0.000 0.913 328 S CB -0.248 62.988 63.200 0.060 0.000 0.800 328 S HN 1.114 nan 8.310 nan 0.000 0.505 329 K N -0.247 120.171 120.400 0.029 0.000 2.527 329 K HA 0.514 4.834 4.320 -0.001 0.000 0.260 329 K C -3.162 173.370 176.600 -0.113 0.000 0.937 329 K CA -2.010 54.230 56.287 -0.079 0.000 0.826 329 K CB 1.414 33.771 32.500 -0.238 0.000 1.359 329 K HN -0.297 nan 8.250 nan 0.000 0.434 330 P HA -0.185 nan 4.420 nan 0.000 0.219 330 P C 1.138 178.344 177.300 -0.157 0.000 1.146 330 P CA 1.708 64.752 63.100 -0.093 0.000 0.808 330 P CB 0.046 31.696 31.700 -0.083 0.000 0.779 331 A N 0.057 122.662 122.820 -0.358 0.000 2.032 331 A HA -0.244 4.075 4.320 -0.001 0.000 0.221 331 A C 1.926 179.378 177.584 -0.220 0.000 1.165 331 A CA 2.031 53.802 52.037 -0.444 0.000 0.645 331 A CB -1.333 16.996 19.000 -1.118 0.000 0.807 331 A HN 0.110 nan 8.150 nan 0.000 0.453 332 D N -0.119 120.180 120.400 -0.169 0.000 2.219 332 D HA 0.019 4.658 4.640 -0.001 0.000 0.205 332 D C 2.104 178.366 176.300 -0.063 0.000 0.970 332 D CA 1.153 55.098 54.000 -0.092 0.000 0.851 332 D CB -0.331 40.431 40.800 -0.063 0.000 0.943 332 D HN 0.451 nan 8.370 nan 0.000 0.488 333 A N 0.588 123.389 122.820 -0.033 0.000 2.076 333 A HA -0.113 4.207 4.320 -0.001 0.000 0.220 333 A C 2.175 179.679 177.584 -0.134 0.000 1.160 333 A CA 0.610 52.632 52.037 -0.025 0.000 0.653 333 A CB -0.662 18.430 19.000 0.153 0.000 0.801 333 A HN 0.251 nan 8.150 nan 0.000 0.455 334 L N -0.959 120.242 121.223 -0.035 0.000 2.549 334 L HA -0.123 4.216 4.340 -0.001 0.000 0.229 334 L C 2.491 179.311 176.870 -0.083 0.000 1.158 334 L CA 1.283 56.111 54.840 -0.021 0.000 0.842 334 L CB -0.253 41.852 42.059 0.076 0.000 0.952 334 L HN 0.611 nan 8.230 nan 0.000 0.452 335 R N -2.813 117.625 120.500 -0.103 0.000 2.507 335 R HA 0.131 4.470 4.340 -0.001 0.000 0.230 335 R C 1.561 177.791 176.300 -0.116 0.000 0.897 335 R CA 0.102 56.152 56.100 -0.083 0.000 1.006 335 R CB 0.003 30.282 30.300 -0.034 0.000 1.341 335 R HN 0.015 nan 8.270 nan 0.000 0.604 336 V N 1.246 121.079 119.914 -0.134 0.000 2.878 336 V HA 0.223 4.342 4.120 -0.001 0.000 0.250 336 V C 0.942 176.922 176.094 -0.190 0.000 1.075 336 V CA 1.251 63.478 62.300 -0.122 0.000 1.096 336 V CB -0.021 31.757 31.823 -0.075 0.000 0.724 336 V HN 0.702 nan 8.190 nan 0.000 0.467 337 G N -0.067 108.527 108.800 -0.344 0.000 2.650 337 G HA2 -0.095 3.864 3.960 -0.001 0.000 0.686 337 G HA3 -0.095 3.864 3.960 -0.001 0.000 0.686 337 G C -0.742 173.903 174.900 -0.424 0.000 1.205 337 G CA -0.929 43.856 45.100 -0.524 0.000 0.781 337 G HN 0.056 nan 8.290 nan 0.000 0.648 338 F N 0.605 120.481 119.950 -0.124 0.000 2.389 338 F HA 0.471 4.998 4.527 -0.001 0.000 0.337 338 F C 1.592 177.388 175.800 -0.007 0.000 1.112 338 F CA -0.321 57.633 58.000 -0.077 0.000 1.192 338 F CB 0.524 39.433 39.000 -0.151 0.000 1.185 338 F HN 0.628 nan 8.300 nan 0.000 0.552 339 Y N 1.468 121.846 120.300 0.129 0.000 2.207 339 Y HA -0.115 4.434 4.550 -0.001 0.000 0.287 339 Y C 1.214 177.147 175.900 0.056 0.000 1.156 339 Y CA 1.545 59.682 58.100 0.062 0.000 1.182 339 Y CB 0.176 38.667 38.460 0.053 0.000 0.979 339 Y HN 0.523 nan 8.280 nan 0.000 0.521 340 R N 0.713 121.324 120.500 0.184 0.000 2.985 340 R HA 0.513 4.852 4.340 -0.001 0.000 0.259 340 R C -1.588 174.764 176.300 0.085 0.000 1.815 340 R CA -0.077 56.063 56.100 0.067 0.000 1.278 340 R CB 0.295 30.658 30.300 0.104 0.000 1.403 340 R HN 0.172 nan 8.270 nan 0.000 0.534 341 A N 1.794 124.668 122.820 0.089 0.000 2.316 341 A HA 0.685 5.005 4.320 -0.001 0.000 0.284 341 A C -0.007 177.632 177.584 0.091 0.000 1.115 341 A CA 0.033 52.124 52.037 0.090 0.000 0.812 341 A CB 1.202 20.265 19.000 0.106 0.000 1.064 341 A HN 0.826 nan 8.150 nan 0.000 0.489 342 Q N 0.076 119.952 119.800 0.127 0.000 2.962 342 Q HA 0.629 4.968 4.340 -0.001 0.000 0.282 342 Q C -0.274 175.835 176.000 0.182 0.000 1.058 342 Q CA -0.284 55.587 55.803 0.114 0.000 0.854 342 Q CB 0.200 28.976 28.738 0.063 0.000 1.441 342 Q HN 0.911 nan 8.270 nan 0.000 0.497 343 E N 0.869 121.137 120.200 0.113 0.000 2.257 343 E HA 0.380 4.729 4.350 -0.001 0.000 0.278 343 E C -0.841 175.804 176.600 0.074 0.000 1.049 343 E CA 0.340 56.796 56.400 0.094 0.000 0.876 343 E CB 0.507 30.235 29.700 0.047 0.000 1.035 343 E HN 0.668 nan 8.360 nan 0.000 0.419 344 T N 1.665 116.245 114.554 0.042 0.000 2.971 344 T HA 0.620 4.969 4.350 -0.001 0.000 0.304 344 T C -1.286 173.359 174.700 -0.092 0.000 1.038 344 T CA -0.599 61.503 62.100 0.004 0.000 1.007 344 T CB 1.338 70.276 68.868 0.116 0.000 1.055 344 T HN 0.380 nan 8.240 nan 0.000 0.451 345 A N 4.563 127.359 122.820 -0.039 0.000 2.288 345 A HA 0.777 5.096 4.320 -0.001 0.000 0.320 345 A C -1.125 176.454 177.584 -0.009 0.000 1.217 345 A CA -0.670 51.361 52.037 -0.011 0.000 0.840 345 A CB 0.510 19.509 19.000 -0.002 0.000 1.179 345 A HN 0.691 nan 8.150 nan 0.000 0.504 346 L N 2.074 123.331 121.223 0.055 0.000 2.333 346 L HA 0.698 5.038 4.340 -0.001 0.000 0.280 346 L C 0.527 177.572 176.870 0.292 0.000 1.004 346 L CA -0.247 54.676 54.840 0.139 0.000 0.820 346 L CB 1.310 43.477 42.059 0.181 0.000 1.247 346 L HN 0.817 nan 8.230 nan 0.000 0.416 347 A N 3.396 126.323 122.820 0.178 0.000 2.295 347 A HA 0.804 5.123 4.320 -0.001 0.000 0.318 347 A C -0.918 176.679 177.584 0.022 0.000 1.134 347 A CA -0.461 51.673 52.037 0.162 0.000 0.827 347 A CB 1.082 20.086 19.000 0.007 0.000 1.136 347 A HN 0.656 nan 8.150 nan 0.000 0.493 348 L N 1.734 122.844 121.223 -0.187 0.000 2.329 348 L HA 0.794 5.133 4.340 -0.001 0.000 0.279 348 L C -1.269 175.386 176.870 -0.359 0.000 1.014 348 L CA -0.630 53.863 54.840 -0.579 0.000 0.814 348 L CB 1.713 42.936 42.059 -1.393 0.000 1.257 348 L HN 0.641 nan 8.230 nan 0.000 0.424 349 L N 4.985 126.037 121.223 -0.286 0.000 2.376 349 L HA 0.617 4.956 4.340 -0.001 0.000 0.275 349 L C -0.987 175.770 176.870 -0.188 0.000 0.987 349 L CA -0.232 54.503 54.840 -0.174 0.000 0.828 349 L CB 1.466 43.488 42.059 -0.061 0.000 1.249 349 L HN 0.671 nan 8.230 nan 0.000 0.409 350 R N 5.085 125.488 120.500 -0.161 0.000 2.460 350 R HA 0.539 4.878 4.340 -0.001 0.000 0.303 350 R C 0.133 176.378 176.300 -0.092 0.000 0.968 350 R CA -0.581 55.441 56.100 -0.130 0.000 0.889 350 R CB 1.682 31.913 30.300 -0.115 0.000 1.123 350 R HN 0.750 nan 8.270 nan 0.000 0.455 351 L N 1.215 122.386 121.223 -0.087 0.000 2.781 351 L HA 0.114 4.453 4.340 -0.001 0.000 0.245 351 L C 0.415 177.290 176.870 0.009 0.000 1.118 351 L CA -0.042 54.755 54.840 -0.071 0.000 0.918 351 L CB 0.010 41.990 42.059 -0.131 0.000 1.246 351 L HN 0.693 nan 8.230 nan 0.000 0.526 352 D N -0.339 120.054 120.400 -0.012 0.000 2.469 352 D HA 0.062 4.701 4.640 -0.001 0.000 0.278 352 D C 1.312 177.617 176.300 0.009 0.000 1.231 352 D CA 0.090 54.090 54.000 -0.000 0.000 1.075 352 D CB 0.505 41.297 40.800 -0.013 0.000 1.121 352 D HN -0.074 nan 8.370 nan 0.000 0.571 353 G N -1.389 107.413 108.800 0.004 0.000 2.623 353 G HA2 0.287 4.246 3.960 -0.001 0.000 0.214 353 G HA3 0.287 4.246 3.960 -0.001 0.000 0.214 353 G C 0.788 175.692 174.900 0.006 0.000 1.138 353 G CA 0.597 45.701 45.100 0.006 0.000 0.794 353 G HN 0.734 nan 8.290 nan 0.000 0.535 354 A N -0.588 122.230 122.820 -0.003 0.000 2.325 354 A HA 0.498 4.818 4.320 -0.001 0.000 0.260 354 A C 1.381 178.964 177.584 -0.001 0.000 1.133 354 A CA 0.103 52.136 52.037 -0.006 0.000 0.801 354 A CB 0.513 19.503 19.000 -0.018 0.000 1.092 354 A HN 0.171 nan 8.150 nan 0.000 0.504 355 Q N -0.709 119.094 119.800 0.004 0.000 2.205 355 Q HA 0.260 4.600 4.340 -0.001 0.000 0.193 355 Q C 0.968 176.983 176.000 0.025 0.000 0.995 355 Q CA 1.396 57.219 55.803 0.035 0.000 0.842 355 Q CB -0.308 28.454 28.738 0.040 0.000 0.941 355 Q HN 0.907 nan 8.270 nan 0.000 0.515 356 G N -1.424 107.383 108.800 0.012 0.000 3.075 356 G HA2 0.365 4.325 3.960 -0.001 0.000 0.253 356 G HA3 0.365 4.325 3.960 -0.001 0.000 0.253 356 G C -1.408 173.470 174.900 -0.036 0.000 1.353 356 G CA -0.779 44.329 45.100 0.014 0.000 1.051 356 G HN 0.208 nan 8.290 nan 0.000 0.553 357 W N 1.045 122.288 121.300 -0.095 0.000 2.322 357 W HA 0.389 5.048 4.660 -0.001 0.000 0.328 357 W C -1.817 174.580 176.519 -0.203 0.000 1.395 357 W CA -0.942 56.312 57.345 -0.152 0.000 1.267 357 W CB -0.198 29.171 29.460 -0.152 0.000 1.259 357 W HN 0.163 nan 8.180 nan 0.000 0.560 358 P HA -0.129 nan 4.420 nan 0.000 0.262 358 P C 0.737 177.842 177.300 -0.325 0.000 1.182 358 P CA 0.289 63.222 63.100 -0.277 0.000 0.761 358 P CB 0.857 32.191 31.700 -0.610 0.000 0.795 359 E N 3.018 123.103 120.200 -0.192 0.000 2.038 359 E HA -0.209 4.140 4.350 -0.001 0.000 0.195 359 E C 1.481 177.968 176.600 -0.188 0.000 1.000 359 E CA 1.644 57.970 56.400 -0.124 0.000 0.803 359 E CB -0.791 28.897 29.700 -0.020 0.000 0.750 359 E HN 0.599 nan 8.360 nan 0.000 0.448 360 F N -0.254 119.608 119.950 -0.147 0.000 2.236 360 F HA -0.125 4.402 4.527 -0.001 0.000 0.302 360 F C 1.792 177.379 175.800 -0.356 0.000 1.073 360 F CA 0.880 58.738 58.000 -0.237 0.000 1.336 360 F CB -0.581 38.234 39.000 -0.309 0.000 1.040 360 F HN -0.014 nan 8.300 nan 0.000 0.507 361 L N 0.011 120.639 121.223 -0.991 0.000 2.109 361 L HA -0.080 4.259 4.340 -0.001 0.000 0.207 361 L C 2.948 179.692 176.870 -0.210 0.000 1.086 361 L CA 1.289 55.793 54.840 -0.560 0.000 0.760 361 L CB -0.591 41.178 42.059 -0.483 0.000 0.910 361 L HN 0.202 nan 8.230 nan 0.000 0.437 362 R N 0.581 120.944 120.500 -0.228 0.000 2.061 362 R HA -0.204 4.136 4.340 -0.001 0.000 0.230 362 R C 2.485 178.703 176.300 -0.137 0.000 1.140 362 R CA 1.662 57.614 56.100 -0.248 0.000 0.940 362 R CB -0.180 29.972 30.300 -0.247 0.000 0.839 362 R HN 0.177 nan 8.270 nan 0.000 0.429 363 R N 0.423 120.878 120.500 -0.076 0.000 2.143 363 R HA -0.237 4.102 4.340 -0.001 0.000 0.239 363 R C 2.098 178.429 176.300 0.052 0.000 1.126 363 R CA 2.358 58.457 56.100 -0.003 0.000 0.927 363 R CB -0.729 29.593 30.300 0.038 0.000 0.860 363 R HN 0.322 nan 8.270 nan 0.000 0.433 364 A N 1.013 123.897 122.820 0.108 0.000 1.903 364 A HA -0.199 4.120 4.320 -0.001 0.000 0.219 364 A C 2.374 180.086 177.584 0.213 0.000 1.191 364 A CA 1.979 54.157 52.037 0.235 0.000 0.638 364 A CB -0.762 18.508 19.000 0.449 0.000 0.823 364 A HN 0.456 nan 8.150 nan 0.000 0.451 365 L N -1.153 120.167 121.223 0.161 0.000 2.093 365 L HA -0.146 4.193 4.340 -0.001 0.000 0.208 365 L C 2.628 179.643 176.870 0.242 0.000 1.085 365 L CA 0.934 55.909 54.840 0.226 0.000 0.755 365 L CB -0.499 41.603 42.059 0.071 0.000 0.904 365 L HN 0.382 nan 8.230 nan 0.000 0.435 366 L N -0.238 121.035 121.223 0.083 0.000 2.017 366 L HA -0.257 4.082 4.340 -0.001 0.000 0.208 366 L C 3.390 180.318 176.870 0.096 0.000 1.073 366 L CA 1.707 56.586 54.840 0.065 0.000 0.745 366 L CB -0.819 41.227 42.059 -0.021 0.000 0.894 366 L HN 0.240 nan 8.230 nan 0.000 0.432 367 R N 0.274 120.818 120.500 0.073 0.000 2.094 367 R HA -0.189 4.151 4.340 -0.001 0.000 0.239 367 R C 2.284 178.587 176.300 0.005 0.000 1.137 367 R CA 2.016 58.142 56.100 0.043 0.000 0.943 367 R CB -1.895 28.439 30.300 0.056 0.000 0.850 367 R HN 0.523 nan 8.270 nan 0.000 0.433 368 A N -0.774 122.055 122.820 0.014 0.000 1.933 368 A HA 0.100 4.419 4.320 -0.001 0.000 0.218 368 A C 2.282 179.681 177.584 -0.309 0.000 1.175 368 A CA 1.404 53.326 52.037 -0.191 0.000 0.628 368 A CB -0.431 18.502 19.000 -0.111 0.000 0.814 368 A HN 0.568 nan 8.150 nan 0.000 0.444 369 F N 0.019 119.928 119.950 -0.069 0.000 2.367 369 F HA 0.107 4.633 4.527 -0.001 0.000 0.298 369 F C 2.471 178.243 175.800 -0.046 0.000 1.094 369 F CA 0.727 58.723 58.000 -0.007 0.000 1.409 369 F CB -0.340 38.697 39.000 0.061 0.000 1.064 369 F HN 0.288 nan 8.300 nan 0.000 0.528 370 G N -0.167 108.692 108.800 0.099 0.000 2.484 370 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.215 370 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.215 370 G C 1.965 176.848 174.900 -0.029 0.000 1.219 370 G CA 0.903 46.024 45.100 0.034 0.000 0.791 370 G HN 0.403 nan 8.290 nan 0.000 0.550 371 A N 0.970 123.740 122.820 -0.083 0.000 1.896 371 A HA -0.173 4.146 4.320 -0.001 0.000 0.220 371 A C 2.627 180.126 177.584 -0.142 0.000 1.206 371 A CA 2.889 54.851 52.037 -0.124 0.000 0.647 371 A CB -0.917 17.974 19.000 -0.181 0.000 0.828 371 A HN 0.445 nan 8.150 nan 0.000 0.455 372 S N -1.611 113.963 115.700 -0.211 0.000 2.515 372 S HA 0.327 4.797 4.470 -0.001 0.000 0.231 372 S C 1.618 176.179 174.600 -0.064 0.000 0.987 372 S CA 1.324 59.414 58.200 -0.183 0.000 0.936 372 S CB -0.178 62.847 63.200 -0.292 0.000 0.766 372 S HN 1.738 nan 8.310 nan 0.000 0.528 373 G N 1.685 110.472 108.800 -0.022 0.000 4.686 373 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.235 373 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.235 373 G C 0.377 175.319 174.900 0.069 0.000 1.589 373 G CA -0.151 44.958 45.100 0.014 0.000 1.172 373 G HN 0.984 nan 8.290 nan 0.000 0.660 374 A N 0.375 123.255 122.820 0.099 0.000 2.504 374 A HA 0.589 4.909 4.320 -0.001 0.000 0.242 374 A C 0.922 178.634 177.584 0.213 0.000 1.100 374 A CA 1.673 53.793 52.037 0.139 0.000 0.786 374 A CB 0.153 19.240 19.000 0.144 0.000 1.050 374 A HN 1.667 nan 8.150 nan 0.000 0.512 375 S N -1.397 114.382 115.700 0.131 0.000 2.617 375 S HA 0.554 5.024 4.470 -0.001 0.000 0.283 375 S C -0.744 173.821 174.600 -0.059 0.000 1.189 375 S CA -0.434 57.796 58.200 0.050 0.000 1.036 375 S CB 0.696 63.900 63.200 0.007 0.000 1.014 375 S HN 0.893 nan 8.310 nan 0.000 0.522 376 L N 4.452 125.555 121.223 -0.198 0.000 2.349 376 L HA 0.609 4.948 4.340 -0.001 0.000 0.278 376 L C -0.754 175.949 176.870 -0.278 0.000 0.996 376 L CA -0.178 54.401 54.840 -0.435 0.000 0.825 376 L CB 1.314 42.907 42.059 -0.777 0.000 1.243 376 L HN 0.611 nan 8.230 nan 0.000 0.412 377 R N 5.530 125.908 120.500 -0.203 0.000 2.346 377 R HA 0.623 4.962 4.340 -0.001 0.000 0.311 377 R C -1.148 175.093 176.300 -0.098 0.000 0.983 377 R CA -0.654 55.365 56.100 -0.134 0.000 0.880 377 R CB 1.464 31.757 30.300 -0.011 0.000 1.100 377 R HN 0.610 nan 8.270 nan 0.000 0.453 378 L N 5.050 126.160 121.223 -0.188 0.000 2.356 378 L HA 0.361 4.700 4.340 -0.001 0.000 0.264 378 L C 0.150 177.046 176.870 0.043 0.000 1.029 378 L CA -0.449 54.295 54.840 -0.161 0.000 0.897 378 L CB 0.406 42.115 42.059 -0.582 0.000 1.256 378 L HN 0.599 nan 8.230 nan 0.000 0.444 379 H N 1.256 120.402 119.070 0.128 0.000 2.534 379 H HA 0.443 4.998 4.556 -0.001 0.000 0.364 379 H C -0.405 175.044 175.328 0.201 0.000 1.328 379 H CA -0.423 55.702 56.048 0.128 0.000 1.415 379 H CB 1.780 31.572 29.762 0.051 0.000 1.573 379 H HN 0.297 nan 8.280 nan 0.000 0.601 380 T N 1.577 116.227 114.554 0.159 0.000 2.912 380 T HA 0.281 4.630 4.350 -0.001 0.000 0.299 380 T C -0.130 174.443 174.700 -0.211 0.000 1.052 380 T CA -0.767 61.271 62.100 -0.103 0.000 0.996 380 T CB 1.248 69.955 68.868 -0.269 0.000 1.070 380 T HN 0.250 nan 8.240 nan 0.000 0.465 381 L N 4.016 125.100 121.223 -0.232 0.000 2.259 381 L HA 0.327 4.666 4.340 -0.001 0.000 0.288 381 L C 0.051 176.823 176.870 -0.164 0.000 1.051 381 L CA -0.665 54.090 54.840 -0.142 0.000 0.824 381 L CB 0.242 42.269 42.059 -0.053 0.000 1.206 381 L HN 0.607 nan 8.230 nan 0.000 0.429 382 H N 4.300 123.404 119.070 0.058 0.000 2.882 382 H HA 0.626 5.181 4.556 -0.001 0.000 0.258 382 H C -0.140 175.250 175.328 0.103 0.000 1.579 382 H CA -0.031 56.055 56.048 0.064 0.000 1.340 382 H CB 0.576 30.366 29.762 0.045 0.000 1.645 382 H HN 0.716 nan 8.280 nan 0.000 0.541 383 A N 2.232 125.201 122.820 0.248 0.000 2.549 383 A HA 0.380 4.699 4.320 -0.001 0.000 0.291 383 A C -1.735 176.022 177.584 0.288 0.000 1.034 383 A CA -0.725 51.500 52.037 0.314 0.000 0.655 383 A CB 1.915 21.158 19.000 0.404 0.000 1.299 383 A HN 0.589 nan 8.150 nan 0.000 0.427 384 H N 0.527 119.626 119.070 0.049 0.000 2.806 384 H HA 0.460 5.015 4.556 -0.001 0.000 0.367 384 H C -2.401 172.498 175.328 -0.716 0.000 1.136 384 H CA -1.553 54.301 56.048 -0.323 0.000 1.178 384 H CB 2.709 32.373 29.762 -0.163 0.000 1.718 384 H HN 0.269 nan 8.280 nan 0.000 0.540 385 P HA -0.110 nan 4.420 nan 0.000 0.217 385 P C 1.378 178.577 177.300 -0.168 0.000 1.148 385 P CA 2.288 64.805 63.100 -0.971 0.000 0.828 385 P CB -0.048 31.218 31.700 -0.724 0.000 0.783 386 S N -0.276 115.524 115.700 0.167 0.000 2.493 386 S HA -0.233 4.237 4.470 -0.001 0.000 0.243 386 S C 1.752 176.380 174.600 0.047 0.000 0.991 386 S CA 1.143 59.397 58.200 0.091 0.000 0.957 386 S CB -1.098 62.098 63.200 -0.006 0.000 0.756 386 S HN 0.341 nan 8.310 nan 0.000 0.521 387 Q N 0.232 120.078 119.800 0.077 0.000 2.444 387 Q HA 0.330 4.669 4.340 -0.001 0.000 0.206 387 Q C 1.567 177.629 176.000 0.102 0.000 0.948 387 Q CA -0.011 55.847 55.803 0.091 0.000 0.946 387 Q CB -0.190 28.631 28.738 0.137 0.000 1.027 387 Q HN 0.714 nan 8.270 nan 0.000 0.513 388 G N 1.563 110.425 108.800 0.103 0.000 2.596 388 G HA2 -0.392 3.567 3.960 -0.001 0.000 0.295 388 G HA3 -0.392 3.567 3.960 -0.001 0.000 0.295 388 G C 0.628 175.610 174.900 0.136 0.000 1.240 388 G CA 0.281 45.443 45.100 0.104 0.000 0.985 388 G HN 0.308 nan 8.290 nan 0.000 0.555 389 L N 0.839 122.118 121.223 0.092 0.000 2.137 389 L HA -0.146 4.194 4.340 -0.001 0.000 0.213 389 L C 3.528 180.443 176.870 0.076 0.000 1.085 389 L CA 2.184 57.069 54.840 0.075 0.000 0.760 389 L CB -0.912 41.175 42.059 0.047 0.000 0.893 389 L HN 0.826 nan 8.230 nan 0.000 0.434 390 A N 0.114 122.988 122.820 0.090 0.000 1.892 390 A HA -0.310 4.009 4.320 -0.001 0.000 0.218 390 A C 2.150 179.804 177.584 0.117 0.000 1.188 390 A CA 1.984 54.075 52.037 0.089 0.000 0.631 390 A CB -0.917 18.141 19.000 0.097 0.000 0.822 390 A HN 0.425 nan 8.150 nan 0.000 0.447 391 F N 0.470 120.432 119.950 0.020 0.000 2.126 391 F HA -0.179 4.347 4.527 -0.002 0.000 0.299 391 F C 2.386 178.185 175.800 -0.002 0.000 1.096 391 F CA 2.038 60.044 58.000 0.012 0.000 1.255 391 F CB -0.334 38.672 39.000 0.010 0.000 0.997 391 F HN 0.152 nan 8.300 nan 0.000 0.479 392 R N 0.256 120.698 120.500 -0.098 0.000 2.105 392 R HA -0.226 4.113 4.340 -0.001 0.000 0.239 392 R C 2.214 178.403 176.300 -0.185 0.000 1.135 392 R CA 1.824 57.809 56.100 -0.191 0.000 0.967 392 R CB -0.471 29.802 30.300 -0.044 0.000 0.861 392 R HN 0.377 nan 8.270 nan 0.000 0.442 393 E N 0.223 120.362 120.200 -0.101 0.000 2.110 393 E HA -0.116 4.233 4.350 -0.001 0.000 0.193 393 E C 1.630 178.168 176.600 -0.103 0.000 0.988 393 E CA 1.561 57.917 56.400 -0.074 0.000 0.804 393 E CB -0.152 29.533 29.700 -0.026 0.000 0.745 393 E HN 0.364 nan 8.360 nan 0.000 0.458 394 A N 0.569 123.307 122.820 -0.138 0.000 1.933 394 A HA -0.115 4.204 4.320 -0.001 0.000 0.218 394 A C 2.266 179.722 177.584 -0.214 0.000 1.175 394 A CA 1.368 53.320 52.037 -0.142 0.000 0.628 394 A CB -0.693 18.238 19.000 -0.115 0.000 0.814 394 A HN 0.349 nan 8.150 nan 0.000 0.444 395 L N -1.131 119.881 121.223 -0.352 0.000 2.017 395 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 395 L C 2.803 179.561 176.870 -0.187 0.000 1.073 395 L CA 1.820 56.470 54.840 -0.316 0.000 0.745 395 L CB -0.545 41.279 42.059 -0.391 0.000 0.894 395 L HN 0.448 nan 8.230 nan 0.000 0.432 396 R N 0.699 121.108 120.500 -0.151 0.000 2.127 396 R HA -0.184 4.155 4.340 -0.001 0.000 0.238 396 R C 2.228 178.480 176.300 -0.081 0.000 1.134 396 R CA 1.480 57.521 56.100 -0.099 0.000 0.975 396 R CB 0.042 30.298 30.300 -0.073 0.000 0.865 396 R HN 0.340 nan 8.270 nan 0.000 0.447 397 K N -0.434 119.919 120.400 -0.078 0.000 2.076 397 K HA 0.017 4.336 4.320 -0.001 0.000 0.204 397 K C 2.095 178.654 176.600 -0.069 0.000 1.051 397 K CA 0.969 57.223 56.287 -0.054 0.000 0.949 397 K CB -0.047 32.434 32.500 -0.032 0.000 0.726 397 K HN 0.156 nan 8.250 nan 0.000 0.443 398 A N 2.033 124.794 122.820 -0.099 0.000 1.883 398 A HA -0.271 4.048 4.320 -0.001 0.000 0.217 398 A C 2.073 179.554 177.584 -0.171 0.000 1.186 398 A CA 2.045 53.995 52.037 -0.146 0.000 0.624 398 A CB -0.438 18.471 19.000 -0.152 0.000 0.822 398 A HN 0.148 nan 8.150 nan 0.000 0.444 399 K N -0.025 120.296 120.400 -0.131 0.000 2.063 399 K HA -0.210 4.109 4.320 -0.001 0.000 0.208 399 K C 1.929 178.475 176.600 -0.090 0.000 1.048 399 K CA 1.977 58.199 56.287 -0.108 0.000 0.928 399 K CB -0.241 32.208 32.500 -0.085 0.000 0.713 399 K HN 0.497 nan 8.250 nan 0.000 0.442 400 E N 0.785 120.940 120.200 -0.074 0.000 2.153 400 E HA -0.162 4.187 4.350 -0.001 0.000 0.194 400 E C 0.641 177.215 176.600 -0.043 0.000 0.988 400 E CA 1.450 57.821 56.400 -0.048 0.000 0.811 400 E CB 0.050 29.729 29.700 -0.036 0.000 0.746 400 E HN 0.430 nan 8.360 nan 0.000 0.466 401 E N -1.303 118.858 120.200 -0.065 0.000 2.368 401 E HA 0.178 4.527 4.350 -0.001 0.000 0.188 401 E C 0.545 177.094 176.600 -0.086 0.000 1.061 401 E CA 0.294 56.674 56.400 -0.033 0.000 0.933 401 E CB 0.263 29.983 29.700 0.034 0.000 1.091 401 E HN 0.432 nan 8.360 nan 0.000 0.458 402 G N 0.586 109.327 108.800 -0.099 0.000 2.159 402 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.256 402 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.256 402 G C 0.514 175.330 174.900 -0.139 0.000 0.977 402 G CA 0.134 45.182 45.100 -0.087 0.000 0.652 402 G HN 0.212 nan 8.290 nan 0.000 0.531 403 V N 0.221 119.987 119.914 -0.248 0.000 2.901 403 V HA 0.212 4.331 4.120 -0.001 0.000 0.307 403 V C 1.368 177.394 176.094 -0.114 0.000 1.084 403 V CA 1.660 63.820 62.300 -0.234 0.000 1.184 403 V CB 1.480 33.130 31.823 -0.289 0.000 0.941 403 V HN 0.564 nan 8.190 nan 0.000 0.493 404 Q N 2.048 121.807 119.800 -0.069 0.000 2.459 404 Q HA 0.514 4.853 4.340 -0.001 0.000 0.260 404 Q C 0.200 176.191 176.000 -0.015 0.000 0.828 404 Q CA 0.604 56.388 55.803 -0.033 0.000 0.987 404 Q CB 1.361 30.091 28.738 -0.013 0.000 1.216 404 Q HN 0.887 nan 8.270 nan 0.000 0.558 405 A N 0.419 123.235 122.820 -0.006 0.000 2.587 405 A HA 0.706 5.025 4.320 -0.001 0.000 0.293 405 A C -1.701 175.890 177.584 0.012 0.000 1.087 405 A CA -0.574 51.467 52.037 0.006 0.000 0.692 405 A CB 1.949 20.964 19.000 0.024 0.000 1.291 405 A HN 0.069 nan 8.150 nan 0.000 0.407 406 V N 0.976 120.890 119.914 0.000 0.000 2.656 406 V HA 0.801 4.920 4.120 -0.001 0.000 0.307 406 V C -1.431 174.649 176.094 -0.023 0.000 1.051 406 V CA -0.781 61.511 62.300 -0.013 0.000 0.893 406 V CB 1.497 33.294 31.823 -0.045 0.000 0.999 406 V HN 1.278 nan 8.190 nan 0.000 0.426 407 L N 6.649 127.836 121.223 -0.060 0.000 2.276 407 L HA 0.668 5.007 4.340 -0.001 0.000 0.286 407 L C -0.457 176.317 176.870 -0.161 0.000 1.061 407 L CA 0.190 54.974 54.840 -0.092 0.000 0.807 407 L CB 1.489 43.475 42.059 -0.122 0.000 1.177 407 L HN 0.616 nan 8.230 nan 0.000 0.429 408 V N 7.105 126.953 119.914 -0.109 0.000 2.334 408 V HA 0.352 4.471 4.120 -0.001 0.000 0.281 408 V C 0.123 176.150 176.094 -0.112 0.000 1.016 408 V CA -0.558 61.671 62.300 -0.118 0.000 0.832 408 V CB 1.201 32.970 31.823 -0.089 0.000 0.999 408 V HN 0.591 nan 8.190 nan 0.000 0.439 409 L N 4.874 126.012 121.223 -0.142 0.000 2.276 409 L HA 0.711 5.050 4.340 -0.001 0.000 0.286 409 L C 0.255 177.072 176.870 -0.088 0.000 1.061 409 L CA 0.444 55.219 54.840 -0.109 0.000 0.807 409 L CB 1.568 43.544 42.059 -0.138 0.000 1.177 409 L HN 0.776 nan 8.230 nan 0.000 0.429 410 T N 3.851 118.368 114.554 -0.061 0.000 2.827 410 T HA 0.428 4.777 4.350 -0.001 0.000 0.328 410 T C -2.839 171.839 174.700 -0.037 0.000 1.598 410 T CA -1.019 61.047 62.100 -0.056 0.000 1.043 410 T CB 2.057 70.879 68.868 -0.076 0.000 1.447 410 T HN 0.131 nan 8.240 nan 0.000 0.491 411 P HA 0.405 nan 4.420 nan 0.000 0.275 411 P C -2.705 174.574 177.300 -0.035 0.000 1.266 411 P CA -1.343 61.744 63.100 -0.023 0.000 0.793 411 P CB -0.464 31.227 31.700 -0.015 0.000 1.074 412 P HA 0.029 nan 4.420 nan 0.000 0.260 412 P C -0.305 176.960 177.300 -0.059 0.000 1.185 412 P CA 1.157 64.227 63.100 -0.050 0.000 0.763 412 P CB -0.120 31.558 31.700 -0.036 0.000 0.776 413 M N 2.344 121.890 119.600 -0.089 0.000 2.291 413 M HA 0.516 4.995 4.480 -0.001 0.000 0.324 413 M C 0.649 176.891 176.300 -0.098 0.000 1.148 413 M CA -0.667 54.581 55.300 -0.087 0.000 1.104 413 M CB 1.045 33.582 32.600 -0.105 0.000 1.483 413 M HN 0.229 nan 8.290 nan 0.000 0.467 414 A N 0.506 123.298 122.820 -0.046 0.000 2.302 414 A HA 0.258 4.577 4.320 -0.001 0.000 0.285 414 A C 0.143 177.739 177.584 0.020 0.000 1.105 414 A CA -0.527 51.512 52.037 0.004 0.000 0.816 414 A CB 0.115 19.148 19.000 0.054 0.000 1.067 414 A HN 1.069 nan 8.150 nan 0.000 0.489 415 W N -0.064 121.238 121.300 0.002 0.000 2.290 415 W HA -0.241 4.418 4.660 -0.001 0.000 0.318 415 W C 2.156 178.675 176.519 0.000 0.000 1.248 415 W CA 2.199 59.545 57.345 0.003 0.000 1.263 415 W CB 0.102 29.566 29.460 0.006 0.000 1.147 415 W HN 0.927 nan 8.180 nan 0.000 0.494 416 E N -0.032 120.316 120.200 0.246 0.000 2.085 416 E HA -0.233 4.116 4.350 -0.001 0.000 0.194 416 E C 1.627 178.276 176.600 0.083 0.000 0.994 416 E CA 1.720 58.208 56.400 0.147 0.000 0.801 416 E CB -0.202 29.562 29.700 0.107 0.000 0.743 416 E HN 0.267 nan 8.360 nan 0.000 0.453 417 D N -0.063 120.365 120.400 0.047 0.000 2.137 417 D HA -0.144 4.495 4.640 -0.001 0.000 0.202 417 D C 2.048 178.332 176.300 -0.026 0.000 0.970 417 D CA 0.375 54.377 54.000 0.002 0.000 0.837 417 D CB -0.324 40.468 40.800 -0.014 0.000 0.981 417 D HN 0.091 nan 8.370 nan 0.000 0.475 418 R N 1.353 121.825 120.500 -0.046 0.000 2.097 418 R HA -0.153 4.186 4.340 -0.001 0.000 0.236 418 R C 1.604 177.875 176.300 -0.047 0.000 1.135 418 R CA 1.352 57.397 56.100 -0.092 0.000 0.934 418 R CB -0.474 29.703 30.300 -0.206 0.000 0.846 418 R HN 0.108 nan 8.270 nan 0.000 0.431 419 N N 0.780 119.492 118.700 0.020 0.000 2.149 419 N HA -0.187 4.552 4.740 -0.001 0.000 0.188 419 N C 1.900 177.400 175.510 -0.017 0.000 1.019 419 N CA 1.161 54.236 53.050 0.042 0.000 0.857 419 N CB -0.482 38.087 38.487 0.135 0.000 0.997 419 N HN 0.332 nan 8.380 nan 0.000 0.426 420 R N 0.417 120.913 120.500 -0.007 0.000 2.073 420 R HA -0.077 4.262 4.340 -0.001 0.000 0.234 420 R C 2.067 178.337 176.300 -0.050 0.000 1.134 420 R CA 0.891 56.977 56.100 -0.023 0.000 0.952 420 R CB -0.423 29.877 30.300 0.001 0.000 0.850 420 R HN 0.100 nan 8.270 nan 0.000 0.433 421 L N 1.717 122.911 121.223 -0.048 0.000 1.971 421 L HA -0.235 4.105 4.340 -0.001 0.000 0.215 421 L C 1.989 178.828 176.870 -0.053 0.000 1.072 421 L CA 1.966 56.778 54.840 -0.046 0.000 0.758 421 L CB -0.562 41.455 42.059 -0.070 0.000 0.889 421 L HN 0.067 nan 8.230 nan 0.000 0.433 422 K N -0.091 120.267 120.400 -0.071 0.000 2.020 422 K HA -0.169 4.150 4.320 -0.001 0.000 0.212 422 K C 2.098 178.606 176.600 -0.155 0.000 1.050 422 K CA 1.783 58.019 56.287 -0.084 0.000 0.929 422 K CB -1.116 31.348 32.500 -0.060 0.000 0.714 422 K HN 0.515 nan 8.250 nan 0.000 0.443 423 A N 1.405 124.073 122.820 -0.252 0.000 1.972 423 A HA -0.136 4.183 4.320 -0.001 0.000 0.219 423 A C 2.153 179.538 177.584 -0.332 0.000 1.169 423 A CA 1.064 52.772 52.037 -0.548 0.000 0.635 423 A CB -0.462 17.956 19.000 -0.971 0.000 0.810 423 A HN 0.207 nan 8.150 nan 0.000 0.446 424 L N 0.316 121.449 121.223 -0.150 0.000 1.955 424 L HA -0.158 4.181 4.340 -0.001 0.000 0.213 424 L C 2.346 179.202 176.870 -0.024 0.000 1.072 424 L CA 1.933 56.760 54.840 -0.023 0.000 0.755 424 L CB -1.043 41.054 42.059 0.064 0.000 0.888 424 L HN 0.438 nan 8.230 nan 0.000 0.432 425 L N -1.232 119.974 121.223 -0.029 0.000 2.042 425 L HA -0.254 4.086 4.340 -0.001 0.000 0.210 425 L C 2.520 179.344 176.870 -0.077 0.000 1.076 425 L CA 0.876 55.684 54.840 -0.054 0.000 0.749 425 L CB -0.866 41.169 42.059 -0.039 0.000 0.893 425 L HN 0.294 nan 8.230 nan 0.000 0.432 426 L N -0.275 120.884 121.223 -0.106 0.000 2.265 426 L HA -0.145 4.194 4.340 -0.001 0.000 0.215 426 L C 2.615 179.452 176.870 -0.055 0.000 1.117 426 L CA 1.483 56.247 54.840 -0.126 0.000 0.782 426 L CB -0.871 41.051 42.059 -0.228 0.000 0.914 426 L HN 0.154 nan 8.230 nan 0.000 0.441 427 R N -0.560 119.934 120.500 -0.009 0.000 2.235 427 R HA -0.051 4.288 4.340 -0.001 0.000 0.213 427 R C 0.908 177.204 176.300 -0.006 0.000 1.059 427 R CA 0.517 56.640 56.100 0.038 0.000 0.997 427 R CB 0.067 30.425 30.300 0.096 0.000 0.884 427 R HN 0.322 nan 8.270 nan 0.000 0.462 428 E N -0.558 119.620 120.200 -0.037 0.000 2.499 428 E HA 0.102 4.451 4.350 -0.001 0.000 0.199 428 E C 0.589 177.159 176.600 -0.051 0.000 1.016 428 E CA 0.053 56.421 56.400 -0.052 0.000 0.933 428 E CB 1.151 30.799 29.700 -0.087 0.000 1.050 428 E HN 0.439 nan 8.360 nan 0.000 0.462 429 G N 1.480 110.255 108.800 -0.043 0.000 2.143 429 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.248 429 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.248 429 G C 0.205 175.084 174.900 -0.035 0.000 0.991 429 G CA 0.191 45.273 45.100 -0.031 0.000 0.689 429 G HN 0.240 nan 8.290 nan 0.000 0.522 430 L N 1.022 122.212 121.223 -0.055 0.000 2.283 430 L HA 0.380 4.719 4.340 -0.001 0.000 0.281 430 L C -1.886 174.958 176.870 -0.043 0.000 1.033 430 L CA -2.205 52.606 54.840 -0.049 0.000 0.848 430 L CB 1.436 43.454 42.059 -0.068 0.000 1.226 430 L HN -0.120 nan 8.230 nan 0.000 0.429 431 P HA 0.132 nan 4.420 nan 0.000 0.272 431 P C -0.610 176.691 177.300 0.002 0.000 1.254 431 P CA -0.214 62.894 63.100 0.014 0.000 0.795 431 P CB 0.876 32.621 31.700 0.074 0.000 1.022 432 S N -0.895 114.810 115.700 0.009 0.000 2.547 432 S HA 0.592 5.061 4.470 -0.001 0.000 0.270 432 S C -1.588 173.011 174.600 -0.001 0.000 1.150 432 S CA -0.729 57.469 58.200 -0.004 0.000 0.850 432 S CB 1.655 64.843 63.200 -0.019 0.000 1.118 432 S HN 0.322 nan 8.310 nan 0.000 0.461 433 Q N 1.528 121.326 119.800 -0.002 0.000 2.330 433 Q HA 0.677 5.016 4.340 -0.001 0.000 0.269 433 Q C -1.635 174.360 176.000 -0.008 0.000 1.022 433 Q CA -0.478 55.327 55.803 0.004 0.000 0.796 433 Q CB 1.268 30.023 28.738 0.029 0.000 1.271 433 Q HN 0.807 nan 8.270 nan 0.000 0.450 434 I N 4.047 124.607 120.570 -0.016 0.000 2.396 434 I HA 0.341 4.511 4.170 -0.001 0.000 0.292 434 I C -0.830 175.285 176.117 -0.004 0.000 0.999 434 I CA -0.949 60.332 61.300 -0.031 0.000 1.310 434 I CB 1.235 39.199 38.000 -0.060 0.000 1.404 434 I HN 0.548 nan 8.210 nan 0.000 0.496 435 L N 7.532 128.753 121.223 -0.003 0.000 2.415 435 L HA 0.466 4.805 4.340 -0.001 0.000 0.268 435 L C -0.658 176.222 176.870 0.018 0.000 0.984 435 L CA -0.478 54.384 54.840 0.036 0.000 0.853 435 L CB 0.814 42.913 42.059 0.066 0.000 1.215 435 L HN 0.419 nan 8.230 nan 0.000 0.419 436 N N 3.113 121.826 118.700 0.021 0.000 2.458 436 N HA 0.059 4.799 4.740 -0.001 0.000 0.258 436 N C 0.974 176.501 175.510 0.028 0.000 1.219 436 N CA -0.034 53.022 53.050 0.009 0.000 0.902 436 N CB 1.806 40.296 38.487 0.004 0.000 1.076 436 N HN 0.508 nan 8.380 nan 0.000 0.455 437 V N 3.230 123.151 119.914 0.012 0.000 2.535 437 V HA 0.004 4.123 4.120 -0.001 0.000 0.246 437 V C -1.647 174.467 176.094 0.033 0.000 1.045 437 V CA 0.647 62.956 62.300 0.016 0.000 1.058 437 V CB -0.659 31.160 31.823 -0.006 0.000 0.689 437 V HN 0.645 nan 8.190 nan 0.000 0.461 438 P HA 0.138 nan 4.420 nan 0.000 0.257 438 P C -0.922 176.414 177.300 0.060 0.000 1.269 438 P CA 0.694 63.816 63.100 0.038 0.000 1.122 438 P CB -0.050 31.667 31.700 0.028 0.000 1.285 439 L N 2.552 123.824 121.223 0.082 0.000 2.457 439 L HA 0.664 5.003 4.340 -0.001 0.000 0.266 439 L C -0.028 176.924 176.870 0.137 0.000 0.979 439 L CA -0.659 54.259 54.840 0.130 0.000 0.857 439 L CB 1.289 43.451 42.059 0.172 0.000 1.213 439 L HN 0.105 nan 8.230 nan 0.000 0.418 440 R N 2.566 123.122 120.500 0.093 0.000 2.404 440 R HA 0.376 4.715 4.340 -0.001 0.000 0.291 440 R C 0.815 177.065 176.300 -0.083 0.000 1.025 440 R CA 0.221 56.336 56.100 0.024 0.000 0.991 440 R CB 0.434 30.741 30.300 0.012 0.000 1.053 440 R HN 0.890 nan 8.270 nan 0.000 0.479 441 E N 1.193 121.173 120.200 -0.367 0.000 2.130 441 E HA -0.252 4.098 4.350 -0.001 0.000 0.196 441 E C 1.362 177.861 176.600 -0.167 0.000 0.998 441 E CA 1.944 57.831 56.400 -0.854 0.000 0.806 441 E CB 0.248 29.372 29.700 -0.960 0.000 0.738 441 E HN 0.812 nan 8.360 nan 0.000 0.459 442 E N 0.822 120.972 120.200 -0.084 0.000 2.515 442 E HA -0.166 4.184 4.350 -0.001 0.000 0.201 442 E C -0.061 176.536 176.600 -0.005 0.000 1.071 442 E CA 0.647 57.032 56.400 -0.025 0.000 0.880 442 E CB -0.185 29.497 29.700 -0.031 0.000 0.828 442 E HN 0.392 nan 8.360 nan 0.000 0.540 443 E N 0.594 120.833 120.200 0.064 0.000 2.110 443 E HA 0.139 4.488 4.350 -0.001 0.000 0.300 443 E C 1.418 177.964 176.600 -0.091 0.000 1.278 443 E CA 0.046 56.475 56.400 0.048 0.000 1.365 443 E CB 0.221 30.002 29.700 0.135 0.000 1.283 443 E HN 0.357 nan 8.360 nan 0.000 0.490 444 R N 0.540 120.845 120.500 -0.325 0.000 2.092 444 R HA -0.165 4.175 4.340 -0.001 0.000 0.231 444 R C 1.511 177.291 176.300 -0.866 0.000 1.119 444 R CA 1.803 57.407 56.100 -0.827 0.000 0.970 444 R CB -1.148 28.801 30.300 -0.585 0.000 0.864 444 R HN 0.485 nan 8.270 nan 0.000 0.440 445 H N -0.401 118.341 119.070 -0.548 0.000 2.353 445 H HA 0.029 4.584 4.556 -0.001 0.000 0.300 445 H C 2.551 177.663 175.328 -0.360 0.000 1.090 445 H CA 1.476 57.117 56.048 -0.678 0.000 1.327 445 H CB 0.189 29.521 29.762 -0.717 0.000 1.383 445 H HN 0.251 nan 8.280 nan 0.000 0.508 446 R N 0.719 121.159 120.500 -0.099 0.000 2.088 446 R HA -0.154 4.185 4.340 -0.001 0.000 0.232 446 R C 2.365 178.735 176.300 0.116 0.000 1.136 446 R CA 1.863 57.984 56.100 0.035 0.000 0.926 446 R CB -0.756 29.608 30.300 0.107 0.000 0.837 446 R HN 0.636 nan 8.270 nan 0.000 0.429 447 W N 1.181 122.566 121.300 0.142 0.000 2.519 447 W HA -0.026 4.633 4.660 -0.001 0.000 0.266 447 W C 1.070 177.714 176.519 0.209 0.000 1.253 447 W CA 0.306 57.766 57.345 0.192 0.000 1.274 447 W CB -0.566 29.067 29.460 0.289 0.000 1.114 447 W HN 0.158 nan 8.180 nan 0.000 0.596 448 E N 1.085 121.225 120.200 -0.101 0.000 2.072 448 E HA -0.189 4.161 4.350 -0.001 0.000 0.191 448 E C 1.974 178.686 176.600 0.187 0.000 0.985 448 E CA 1.168 57.581 56.400 0.022 0.000 0.801 448 E CB -0.275 29.370 29.700 -0.091 0.000 0.750 448 E HN 0.138 nan 8.360 nan 0.000 0.452 449 N N 0.844 119.681 118.700 0.228 0.000 2.166 449 N HA -0.124 4.615 4.740 -0.001 0.000 0.186 449 N C 1.685 177.291 175.510 0.160 0.000 1.019 449 N CA 1.250 54.423 53.050 0.206 0.000 0.856 449 N CB -0.288 38.328 38.487 0.214 0.000 0.993 449 N HN 0.131 nan 8.380 nan 0.000 0.426 450 A N 0.622 123.555 122.820 0.188 0.000 1.902 450 A HA -0.092 4.227 4.320 -0.001 0.000 0.217 450 A C 2.093 179.786 177.584 0.181 0.000 1.181 450 A CA 0.960 53.103 52.037 0.176 0.000 0.623 450 A CB -0.535 18.594 19.000 0.214 0.000 0.818 450 A HN 0.144 nan 8.150 nan 0.000 0.443 451 L N -0.387 120.984 121.223 0.246 0.000 2.056 451 L HA -0.080 4.259 4.340 -0.001 0.000 0.207 451 L C 2.499 179.457 176.870 0.147 0.000 1.078 451 L CA 1.351 56.340 54.840 0.247 0.000 0.749 451 L CB -1.072 41.198 42.059 0.352 0.000 0.901 451 L HN 0.379 nan 8.230 nan 0.000 0.433 452 L N -1.188 120.100 121.223 0.109 0.000 2.012 452 L HA -0.173 4.166 4.340 -0.001 0.000 0.210 452 L C 2.492 179.344 176.870 -0.029 0.000 1.073 452 L CA 1.426 56.276 54.840 0.017 0.000 0.748 452 L CB -1.176 40.885 42.059 0.003 0.000 0.891 452 L HN 0.397 nan 8.230 nan 0.000 0.431 453 G N -0.125 108.679 108.800 0.007 0.000 2.446 453 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.217 453 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.217 453 G C 1.620 176.509 174.900 -0.018 0.000 1.168 453 G CA 0.621 45.710 45.100 -0.019 0.000 0.771 453 G HN 0.245 nan 8.290 nan 0.000 0.551 454 L N -0.038 121.205 121.223 0.034 0.000 1.989 454 L HA -0.065 4.275 4.340 -0.001 0.000 0.211 454 L C 2.957 179.837 176.870 0.016 0.000 1.071 454 L CA 1.424 56.294 54.840 0.050 0.000 0.749 454 L CB -0.286 41.844 42.059 0.119 0.000 0.890 454 L HN 0.253 nan 8.230 nan 0.000 0.431 455 L N -0.528 120.688 121.223 -0.012 0.000 2.046 455 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 455 L C 2.821 179.602 176.870 -0.148 0.000 1.077 455 L CA 1.157 55.939 54.840 -0.098 0.000 0.747 455 L CB -0.722 41.184 42.059 -0.255 0.000 0.896 455 L HN 0.302 nan 8.230 nan 0.000 0.432 456 A N 0.103 122.829 122.820 -0.157 0.000 1.930 456 A HA -0.189 4.130 4.320 -0.001 0.000 0.217 456 A C 2.303 179.812 177.584 -0.124 0.000 1.175 456 A CA 1.464 53.401 52.037 -0.166 0.000 0.627 456 A CB -0.305 18.569 19.000 -0.210 0.000 0.815 456 A HN 0.322 nan 8.150 nan 0.000 0.443 457 K N -0.207 120.135 120.400 -0.096 0.000 2.147 457 K HA -0.021 4.298 4.320 -0.001 0.000 0.205 457 K C 2.089 178.683 176.600 -0.010 0.000 1.049 457 K CA 0.987 57.244 56.287 -0.051 0.000 0.936 457 K CB -0.269 32.215 32.500 -0.027 0.000 0.722 457 K HN 0.438 nan 8.250 nan 0.000 0.446 458 A N 0.505 123.315 122.820 -0.017 0.000 2.066 458 A HA 0.059 4.378 4.320 -0.001 0.000 0.218 458 A C 1.572 179.149 177.584 -0.012 0.000 1.157 458 A CA 1.354 53.392 52.037 0.001 0.000 0.670 458 A CB -0.298 18.717 19.000 0.024 0.000 0.804 458 A HN 0.447 nan 8.150 nan 0.000 0.453 459 G N -2.580 106.195 108.800 -0.043 0.000 2.168 459 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.197 459 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.197 459 G C -0.183 174.667 174.900 -0.083 0.000 0.997 459 G CA -0.027 45.039 45.100 -0.056 0.000 0.658 459 G HN 0.285 nan 8.290 nan 0.000 0.513 460 L N 0.967 122.125 121.223 -0.108 0.000 2.452 460 L HA 0.447 4.786 4.340 -0.001 0.000 0.267 460 L C 0.829 177.616 176.870 -0.138 0.000 1.188 460 L CA 0.016 54.769 54.840 -0.145 0.000 0.821 460 L CB 0.898 42.769 42.059 -0.314 0.000 1.102 460 L HN 0.150 nan 8.230 nan 0.000 0.470 461 Q N 1.638 121.402 119.800 -0.060 0.000 2.377 461 Q HA 0.130 4.469 4.340 -0.001 0.000 0.249 461 Q C 0.851 176.856 176.000 0.009 0.000 1.005 461 Q CA -0.070 55.733 55.803 0.000 0.000 0.912 461 Q CB 1.550 30.376 28.738 0.146 0.000 1.223 461 Q HN 0.645 nan 8.270 nan 0.000 0.459 462 V N 3.245 123.113 119.914 -0.076 0.000 2.591 462 V HA 0.024 4.143 4.120 -0.001 0.000 0.249 462 V C 0.683 176.853 176.094 0.128 0.000 1.053 462 V CA 1.409 63.709 62.300 -0.000 0.000 1.068 462 V CB 0.345 32.105 31.823 -0.106 0.000 0.689 462 V HN 0.420 nan 8.190 nan 0.000 0.462 463 V N -3.283 116.646 119.914 0.025 0.000 3.206 463 V HA 1.031 5.150 4.120 -0.001 0.000 0.305 463 V C -0.564 175.391 176.094 -0.231 0.000 1.257 463 V CA -0.355 61.933 62.300 -0.020 0.000 1.057 463 V CB 0.953 32.774 31.823 -0.003 0.000 1.075 463 V HN 1.099 nan 8.190 nan 0.000 0.443 464 A N 1.295 123.899 122.820 -0.359 0.000 2.515 464 A HA 0.941 5.260 4.320 -0.001 0.000 0.299 464 A C -1.706 175.713 177.584 -0.276 0.000 1.179 464 A CA -0.844 50.879 52.037 -0.523 0.000 0.656 464 A CB 1.368 19.568 19.000 -1.333 0.000 1.306 464 A HN 1.188 nan 8.150 nan 0.000 0.459 465 L N 1.109 122.217 121.223 -0.193 0.000 2.334 465 L HA 0.632 4.971 4.340 -0.001 0.000 0.276 465 L C 0.306 177.215 176.870 0.065 0.000 1.014 465 L CA -0.638 54.183 54.840 -0.031 0.000 0.815 465 L CB 2.149 44.219 42.059 0.017 0.000 1.268 465 L HN 0.755 nan 8.230 nan 0.000 0.428 466 S N 1.025 116.786 115.700 0.102 0.000 2.433 466 S HA 0.926 5.395 4.470 -0.001 0.000 0.310 466 S C -0.221 174.451 174.600 0.120 0.000 1.097 466 S CA -0.325 57.945 58.200 0.117 0.000 1.103 466 S CB 1.445 64.701 63.200 0.093 0.000 0.992 466 S HN 1.008 nan 8.310 nan 0.000 0.469 467 G N 0.976 109.828 108.800 0.086 0.000 2.361 467 G HA2 0.578 4.537 3.960 -0.001 0.000 0.299 467 G HA3 0.578 4.537 3.960 -0.001 0.000 0.299 467 G C -1.151 173.604 174.900 -0.241 0.000 1.544 467 G CA -0.357 44.676 45.100 -0.112 0.000 0.860 467 G HN 1.248 nan 8.290 nan 0.000 0.610 468 A N 0.036 122.635 122.820 -0.370 0.000 2.312 468 A HA 0.926 5.246 4.320 -0.001 0.000 0.326 468 A C -1.204 176.060 177.584 -0.534 0.000 1.172 468 A CA -0.491 51.387 52.037 -0.264 0.000 0.821 468 A CB 0.750 19.675 19.000 -0.125 0.000 1.166 468 A HN 0.910 nan 8.150 nan 0.000 0.493 469 Y N 1.216 121.520 120.300 0.007 0.000 2.576 469 Y HA 0.458 5.008 4.550 -0.001 0.000 0.346 469 Y C -1.534 174.360 175.900 -0.010 0.000 1.018 469 Y CA -1.714 56.382 58.100 -0.006 0.000 1.050 469 Y CB 1.361 39.791 38.460 -0.050 0.000 1.280 469 Y HN 0.538 nan 8.280 nan 0.000 0.474 470 P HA -0.128 nan 4.420 nan 0.000 0.216 470 P C -0.465 176.869 177.300 0.057 0.000 1.153 470 P CA 1.642 64.780 63.100 0.064 0.000 0.858 470 P CB 0.209 31.935 31.700 0.044 0.000 0.789 471 A N -0.517 122.345 122.820 0.070 0.000 2.365 471 A HA 0.356 4.675 4.320 -0.001 0.000 0.318 471 A C 0.394 177.991 177.584 0.022 0.000 1.091 471 A CA -0.568 51.483 52.037 0.023 0.000 0.763 471 A CB 1.104 20.108 19.000 0.006 0.000 1.248 471 A HN 0.042 nan 8.150 nan 0.000 0.442 472 E N 0.847 121.033 120.200 -0.025 0.000 2.481 472 E HA 0.221 4.570 4.350 -0.001 0.000 0.198 472 E C -0.763 175.823 176.600 -0.024 0.000 1.027 472 E CA -0.020 56.390 56.400 0.017 0.000 0.900 472 E CB 0.439 30.186 29.700 0.080 0.000 0.993 472 E HN 0.320 nan 8.360 nan 0.000 0.482 473 L N 0.957 122.121 121.223 -0.100 0.000 2.482 473 L HA 0.561 4.901 4.340 -0.001 0.000 0.269 473 L C -1.770 175.081 176.870 -0.031 0.000 0.967 473 L CA -0.804 53.992 54.840 -0.073 0.000 0.851 473 L CB 1.873 43.819 42.059 -0.189 0.000 1.242 473 L HN -0.059 nan 8.230 nan 0.000 0.404 474 A N 4.835 127.646 122.820 -0.016 0.000 2.310 474 A HA 0.701 5.020 4.320 -0.001 0.000 0.304 474 A C -1.266 176.320 177.584 0.004 0.000 1.231 474 A CA -0.414 51.620 52.037 -0.005 0.000 0.799 474 A CB 1.354 20.329 19.000 -0.041 0.000 1.162 474 A HN 1.027 nan 8.150 nan 0.000 0.486 475 V N 2.796 122.724 119.914 0.024 0.000 2.459 475 V HA 0.862 4.981 4.120 -0.001 0.000 0.295 475 V C 0.363 176.418 176.094 -0.066 0.000 1.029 475 V CA 0.295 62.554 62.300 -0.068 0.000 0.874 475 V CB 1.313 33.033 31.823 -0.171 0.000 0.985 475 V HN 1.147 nan 8.190 nan 0.000 0.438 476 G N 5.397 114.120 108.800 -0.128 0.000 2.348 476 G HA2 0.638 4.597 3.960 -0.001 0.000 0.312 476 G HA3 0.638 4.597 3.960 -0.001 0.000 0.312 476 G C -1.293 173.501 174.900 -0.176 0.000 1.126 476 G CA -0.462 44.622 45.100 -0.027 0.000 0.865 476 G HN 0.633 nan 8.290 nan 0.000 0.474 477 F N 1.657 121.675 119.950 0.113 0.000 2.449 477 F HA 0.427 4.953 4.527 -0.002 0.000 0.342 477 F C 0.332 176.182 175.800 0.083 0.000 1.127 477 F CA -1.094 56.973 58.000 0.112 0.000 0.975 477 F CB 1.944 41.062 39.000 0.197 0.000 1.146 477 F HN 0.287 nan 8.300 nan 0.000 0.444 478 N N 1.293 120.101 118.700 0.181 0.000 2.457 478 N HA 0.816 5.556 4.740 -0.001 0.000 0.290 478 N C -1.420 174.162 175.510 0.121 0.000 1.232 478 N CA -0.554 52.569 53.050 0.121 0.000 0.852 478 N CB 2.279 40.791 38.487 0.042 0.000 1.313 478 N HN 0.663 nan 8.380 nan 0.000 0.522 479 A N -0.468 122.408 122.820 0.093 0.000 2.365 479 A HA 0.772 5.092 4.320 -0.001 0.000 0.318 479 A C -0.138 177.486 177.584 0.068 0.000 1.091 479 A CA -0.068 52.023 52.037 0.089 0.000 0.763 479 A CB 0.762 19.806 19.000 0.074 0.000 1.248 479 A HN 0.999 nan 8.150 nan 0.000 0.442 480 G N -0.097 108.760 108.800 0.095 0.000 3.439 480 G HA2 0.333 4.292 3.960 -0.001 0.000 0.684 480 G HA3 0.333 4.292 3.960 -0.001 0.000 0.684 480 G C 0.440 175.378 174.900 0.064 0.000 1.005 480 G CA 0.040 45.181 45.100 0.067 0.000 0.837 480 G HN 2.001 nan 8.290 nan 0.000 0.470 481 G N 0.315 109.184 108.800 0.115 0.000 3.342 481 G HA2 0.729 4.688 3.960 -0.001 0.000 0.252 481 G HA3 0.729 4.688 3.960 -0.001 0.000 0.252 481 G C 0.642 175.553 174.900 0.018 0.000 1.011 481 G CA 1.422 46.564 45.100 0.070 0.000 0.869 481 G HN 1.523 nan 8.290 nan 0.000 0.514 482 R N -0.667 119.807 120.500 -0.044 0.000 2.893 482 R HA 0.893 5.232 4.340 -0.001 0.000 0.245 482 R C 0.867 177.014 176.300 -0.256 0.000 1.192 482 R CA 0.646 56.620 56.100 -0.210 0.000 1.077 482 R CB -0.403 29.595 30.300 -0.504 0.000 1.253 482 R HN 0.273 nan 8.270 nan 0.000 0.505 483 E N -0.247 119.763 120.200 -0.316 0.000 2.035 483 E HA -0.029 4.321 4.350 -0.001 0.000 0.191 483 E C 2.229 178.682 176.600 -0.246 0.000 0.966 483 E CA 1.546 57.808 56.400 -0.231 0.000 0.823 483 E CB -0.883 28.711 29.700 -0.177 0.000 0.791 483 E HN 0.745 nan 8.360 nan 0.000 0.459 484 S N -0.670 114.837 115.700 -0.320 0.000 2.329 484 S HA 0.188 4.657 4.470 -0.001 0.000 0.215 484 S C 0.920 175.446 174.600 -0.123 0.000 1.031 484 S CA 1.174 59.276 58.200 -0.164 0.000 0.985 484 S CB -0.524 62.664 63.200 -0.020 0.000 0.917 484 S HN 0.538 nan 8.310 nan 0.000 0.441 485 F N 0.592 120.482 119.950 -0.099 0.000 2.452 485 F HA 0.814 5.341 4.527 0.000 0.000 0.353 485 F C 0.542 176.228 175.800 -0.190 0.000 1.089 485 F CA -1.331 56.580 58.000 -0.149 0.000 1.080 485 F CB 0.578 39.458 39.000 -0.199 0.000 1.399 485 F HN -0.065 nan 8.300 nan 0.000 0.492 486 R N -0.638 119.825 120.500 -0.062 0.000 2.947 486 R HA 0.546 4.885 4.340 -0.001 0.000 0.253 486 R C -2.056 174.104 176.300 -0.233 0.000 1.208 486 R CA -0.972 55.035 56.100 -0.153 0.000 1.012 486 R CB 1.479 31.749 30.300 -0.049 0.000 1.267 486 R HN 0.567 nan 8.270 nan 0.000 0.473 487 F N -0.267 119.744 119.950 0.102 0.000 2.482 487 F HA 0.455 4.981 4.527 -0.001 0.000 0.331 487 F C 0.749 176.587 175.800 0.064 0.000 1.115 487 F CA -0.580 57.480 58.000 0.100 0.000 0.955 487 F CB 2.210 41.262 39.000 0.086 0.000 1.136 487 F HN 0.568 nan 8.300 nan 0.000 0.452 488 G N 1.258 110.201 108.800 0.238 0.000 2.319 488 G HA2 0.553 4.513 3.960 -0.001 0.000 0.308 488 G HA3 0.553 4.513 3.960 -0.001 0.000 0.308 488 G C -0.385 174.621 174.900 0.177 0.000 1.117 488 G CA -0.513 44.692 45.100 0.175 0.000 0.903 488 G HN 0.941 nan 8.290 nan 0.000 0.436 489 G N -0.280 108.599 108.800 0.132 0.000 2.605 489 G HA2 0.858 4.818 3.960 -0.001 0.000 0.296 489 G HA3 0.858 4.818 3.960 -0.001 0.000 0.296 489 G C -1.126 173.768 174.900 -0.011 0.000 1.304 489 G CA -0.264 44.876 45.100 0.066 0.000 0.941 489 G HN 1.236 nan 8.290 nan 0.000 0.475 490 A N -0.665 122.095 122.820 -0.100 0.000 2.374 490 A HA 0.926 5.245 4.320 -0.001 0.000 0.305 490 A C -0.063 177.434 177.584 -0.146 0.000 1.053 490 A CA 0.048 51.904 52.037 -0.301 0.000 0.726 490 A CB 1.487 20.102 19.000 -0.641 0.000 1.229 490 A HN 1.988 nan 8.150 nan 0.000 0.431 491 A N 0.487 123.229 122.820 -0.130 0.000 2.322 491 A HA 0.890 5.210 4.320 -0.001 0.000 0.327 491 A C 0.003 177.563 177.584 -0.041 0.000 1.134 491 A CA -0.030 52.008 52.037 0.002 0.000 0.831 491 A CB 0.713 19.756 19.000 0.072 0.000 1.288 491 A HN 2.465 nan 8.150 nan 0.000 0.472 492 C N -1.309 118.007 119.300 0.026 0.000 3.170 492 C HA 0.869 5.329 4.460 -0.001 0.000 0.319 492 C C -0.106 174.916 174.990 0.052 0.000 1.260 492 C CA -0.265 58.760 59.018 0.012 0.000 1.374 492 C CB 0.810 28.547 27.740 -0.005 0.000 1.739 492 C HN 1.779 nan 8.230 nan 0.000 0.479 493 A N 1.868 124.707 122.820 0.031 0.000 2.252 493 A HA 0.674 4.993 4.320 -0.001 0.000 0.309 493 A C -0.054 177.549 177.584 0.032 0.000 1.285 493 A CA -0.240 51.813 52.037 0.027 0.000 0.900 493 A CB 0.434 19.422 19.000 -0.021 0.000 1.157 493 A HN 2.308 nan 8.150 nan 0.000 0.536 494 V N 2.717 122.662 119.914 0.052 0.000 2.532 494 V HA 0.860 4.979 4.120 -0.001 0.000 0.295 494 V C 0.315 176.397 176.094 -0.020 0.000 1.041 494 V CA 0.832 63.181 62.300 0.082 0.000 0.926 494 V CB 0.929 32.816 31.823 0.106 0.000 0.992 494 V HN 2.578 nan 8.190 nan 0.000 0.457 495 G N 3.964 112.872 108.800 0.180 0.000 3.402 495 G HA2 0.039 3.998 3.960 -0.001 0.000 0.686 495 G HA3 0.039 3.998 3.960 -0.001 0.000 0.686 495 G C 0.585 175.551 174.900 0.109 0.000 0.983 495 G CA -0.080 45.091 45.100 0.118 0.000 0.821 495 G HN 1.877 nan 8.290 nan 0.000 0.500 496 G N 2.070 110.976 108.800 0.177 0.000 2.450 496 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.220 496 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.220 496 G C 1.505 176.490 174.900 0.141 0.000 1.130 496 G CA 1.555 46.736 45.100 0.133 0.000 0.760 496 G HN 1.650 nan 8.290 nan 0.000 0.557 497 D N -0.110 120.360 120.400 0.117 0.000 2.346 497 D HA 0.063 4.703 4.640 -0.001 0.000 0.202 497 D C 1.576 177.943 176.300 0.113 0.000 1.007 497 D CA 1.780 55.850 54.000 0.118 0.000 0.923 497 D CB -0.570 40.287 40.800 0.096 0.000 0.891 497 D HN 0.871 nan 8.370 nan 0.000 0.460 498 G N -1.708 107.111 108.800 0.032 0.000 2.338 498 G HA2 0.086 4.045 3.960 -0.001 0.000 0.115 498 G HA3 0.086 4.045 3.960 -0.001 0.000 0.115 498 G C 0.480 175.288 174.900 -0.153 0.000 1.053 498 G CA -0.031 45.031 45.100 -0.063 0.000 0.733 498 G HN 0.700 nan 8.290 nan 0.000 0.482 499 G N -0.211 108.523 108.800 -0.109 0.000 2.479 499 G HA2 0.510 4.469 3.960 -0.001 0.000 0.275 499 G HA3 0.510 4.469 3.960 -0.001 0.000 0.275 499 G C 0.373 175.223 174.900 -0.083 0.000 1.421 499 G CA 0.033 45.062 45.100 -0.119 0.000 1.059 499 G HN 1.232 nan 8.290 nan 0.000 0.535 500 H N -1.756 117.298 119.070 -0.026 0.000 2.502 500 H HA 0.585 5.140 4.556 -0.001 0.000 0.338 500 H C -0.765 174.556 175.328 -0.012 0.000 1.155 500 H CA -1.113 54.920 56.048 -0.025 0.000 1.237 500 H CB 1.329 31.098 29.762 0.012 0.000 1.534 500 H HN 0.198 nan 8.280 nan 0.000 0.523 501 L N 3.245 124.583 121.223 0.192 0.000 2.325 501 L HA 0.386 4.725 4.340 -0.001 0.000 0.279 501 L C -0.676 176.250 176.870 0.093 0.000 1.054 501 L CA -0.944 53.968 54.840 0.120 0.000 0.804 501 L CB 1.446 43.545 42.059 0.068 0.000 1.200 501 L HN 0.589 nan 8.230 nan 0.000 0.436 502 L N 0.592 121.882 121.223 0.112 0.000 2.622 502 L HA 0.672 5.012 4.340 -0.001 0.000 0.258 502 L C -1.288 175.673 176.870 0.153 0.000 0.996 502 L CA -0.733 54.145 54.840 0.064 0.000 0.858 502 L CB 1.596 43.622 42.059 -0.055 0.000 1.449 502 L HN 0.649 nan 8.230 nan 0.000 0.411 503 W N 0.121 121.488 121.300 0.112 0.000 2.671 503 W HA 0.900 5.559 4.660 -0.002 0.000 0.360 503 W C -1.133 175.430 176.519 0.074 0.000 1.128 503 W CA -0.222 57.187 57.345 0.107 0.000 1.184 503 W CB 0.828 30.428 29.460 0.233 0.000 1.415 503 W HN 0.891 nan 8.180 nan 0.000 0.604 504 T N -1.098 113.681 114.554 0.375 0.000 2.916 504 T HA 0.513 4.862 4.350 -0.001 0.000 0.292 504 T C -0.593 174.388 174.700 0.469 0.000 1.055 504 T CA -0.958 61.272 62.100 0.216 0.000 1.009 504 T CB 2.096 71.004 68.868 0.067 0.000 1.118 504 T HN 0.520 nan 8.240 nan 0.000 0.497 505 L N 2.788 124.222 121.223 0.351 0.000 2.477 505 L HA 0.265 4.604 4.340 -0.001 0.000 0.272 505 L C -1.935 175.060 176.870 0.209 0.000 1.157 505 L CA -1.586 53.461 54.840 0.346 0.000 0.889 505 L CB 0.547 42.748 42.059 0.235 0.000 1.158 505 L HN 0.558 nan 8.230 nan 0.000 0.473 506 P HA 0.190 nan 4.420 nan 0.000 0.274 506 P C -1.196 176.250 177.300 0.244 0.000 1.256 506 P CA -0.406 62.793 63.100 0.165 0.000 0.795 506 P CB 0.711 32.456 31.700 0.075 0.000 1.038 507 E N -0.107 120.274 120.200 0.302 0.000 2.272 507 E HA 0.606 4.955 4.350 -0.001 0.000 0.269 507 E C -1.272 175.485 176.600 0.260 0.000 0.877 507 E CA -0.960 55.597 56.400 0.262 0.000 0.755 507 E CB 1.305 31.086 29.700 0.135 0.000 1.192 507 E HN 0.447 nan 8.360 nan 0.000 0.422 508 A N 4.146 127.035 122.820 0.115 0.000 2.407 508 A HA 0.518 4.837 4.320 -0.001 0.000 0.248 508 A C -0.447 177.060 177.584 -0.128 0.000 1.082 508 A CA 0.017 51.908 52.037 -0.244 0.000 0.785 508 A CB 0.233 18.968 19.000 -0.442 0.000 1.020 508 A HN 0.656 nan 8.150 nan 0.000 0.489 509 Q N 0.250 119.987 119.800 -0.106 0.000 2.534 509 Q HA 0.663 5.002 4.340 -0.001 0.000 0.290 509 Q C 0.106 176.111 176.000 0.008 0.000 0.991 509 Q CA -0.397 55.385 55.803 -0.036 0.000 0.783 509 Q CB 1.546 30.282 28.738 -0.004 0.000 1.470 509 Q HN 0.734 nan 8.270 nan 0.000 0.406 510 A N 1.243 124.068 122.820 0.007 0.000 1.898 510 A HA 0.243 4.563 4.320 -0.001 0.000 0.216 510 A C 0.942 178.537 177.584 0.019 0.000 1.181 510 A CA 1.910 53.963 52.037 0.026 0.000 0.620 510 A CB -0.694 18.313 19.000 0.010 0.000 0.819 510 A HN 0.822 nan 8.150 nan 0.000 0.442 511 G N -1.837 106.968 108.800 0.008 0.000 3.264 511 G HA2 0.403 4.362 3.960 -0.001 0.000 0.168 511 G HA3 0.403 4.362 3.960 -0.001 0.000 0.168 511 G C 0.388 175.291 174.900 0.005 0.000 1.145 511 G CA 0.647 45.748 45.100 0.002 0.000 0.855 511 G HN 0.130 nan 8.290 nan 0.000 0.629 512 E N -0.388 119.816 120.200 0.006 0.000 2.276 512 E HA 0.065 4.414 4.350 -0.001 0.000 0.193 512 E C 1.358 177.974 176.600 0.026 0.000 0.983 512 E CA -0.137 56.272 56.400 0.016 0.000 0.861 512 E CB 0.073 29.779 29.700 0.010 0.000 0.817 512 E HN 0.303 nan 8.360 nan 0.000 0.485 513 R N 1.318 121.828 120.500 0.017 0.000 2.404 513 R HA 0.136 4.476 4.340 -0.001 0.000 0.315 513 R C -0.470 175.838 176.300 0.013 0.000 1.032 513 R CA -0.113 55.997 56.100 0.016 0.000 0.992 513 R CB -0.002 30.302 30.300 0.007 0.000 0.959 513 R HN 0.164 nan 8.270 nan 0.000 0.428 514 I N 8.154 128.731 120.570 0.013 0.000 2.471 514 I HA 0.145 4.314 4.170 -0.001 0.000 0.286 514 I C -1.806 174.289 176.117 -0.036 0.000 1.079 514 I CA -2.152 59.145 61.300 -0.004 0.000 1.398 514 I CB 1.032 39.022 38.000 -0.016 0.000 1.403 514 I HN 0.452 nan 8.210 nan 0.000 0.530 515 P HA 0.051 nan 4.420 nan 0.000 0.269 515 P C 0.122 177.393 177.300 -0.048 0.000 1.209 515 P CA -0.171 62.913 63.100 -0.026 0.000 0.776 515 P CB 0.591 32.285 31.700 -0.009 0.000 0.876 516 Q N 1.275 121.048 119.800 -0.046 0.000 2.096 516 Q HA -0.246 4.093 4.340 -0.001 0.000 0.204 516 Q C 1.457 177.447 176.000 -0.016 0.000 0.982 516 Q CA 1.866 57.632 55.803 -0.061 0.000 0.850 516 Q CB -0.191 28.520 28.738 -0.045 0.000 0.901 516 Q HN 0.554 nan 8.270 nan 0.000 0.422 517 E N -0.154 120.056 120.200 0.016 0.000 2.153 517 E HA -0.139 4.210 4.350 -0.001 0.000 0.194 517 E C 1.942 178.592 176.600 0.084 0.000 0.988 517 E CA 1.106 57.550 56.400 0.074 0.000 0.811 517 E CB -0.171 29.562 29.700 0.055 0.000 0.746 517 E HN 0.115 nan 8.360 nan 0.000 0.466 518 V N 0.461 120.393 119.914 0.030 0.000 2.379 518 V HA -0.211 3.909 4.120 -0.001 0.000 0.245 518 V C 2.219 178.324 176.094 0.017 0.000 1.044 518 V CA 1.220 63.536 62.300 0.027 0.000 1.036 518 V CB -0.466 31.373 31.823 0.027 0.000 0.664 518 V HN 0.149 nan 8.190 nan 0.000 0.453 519 V N -0.114 119.763 119.914 -0.061 0.000 2.252 519 V HA -0.338 3.781 4.120 -0.001 0.000 0.249 519 V C 2.142 178.227 176.094 -0.014 0.000 1.056 519 V CA 2.642 64.834 62.300 -0.179 0.000 1.022 519 V CB -0.889 30.532 31.823 -0.669 0.000 0.641 519 V HN 0.804 nan 8.190 nan 0.000 0.445 520 W N 1.481 122.699 121.300 -0.136 0.000 2.332 520 W HA -0.237 4.422 4.660 -0.002 0.000 0.321 520 W C 2.242 178.765 176.519 0.008 0.000 1.219 520 W CA 2.090 59.400 57.345 -0.058 0.000 1.277 520 W CB -0.364 29.060 29.460 -0.060 0.000 1.161 520 W HN 0.338 nan 8.180 nan 0.000 0.476 521 D N 0.994 121.257 120.400 -0.228 0.000 2.116 521 D HA -0.231 4.408 4.640 -0.001 0.000 0.193 521 D C 2.272 178.397 176.300 -0.292 0.000 0.998 521 D CA 2.179 55.976 54.000 -0.338 0.000 0.836 521 D CB -0.926 39.816 40.800 -0.096 0.000 0.951 521 D HN 0.283 nan 8.370 nan 0.000 0.449 522 L N 0.074 121.227 121.223 -0.116 0.000 2.012 522 L HA -0.176 4.163 4.340 -0.001 0.000 0.210 522 L C 2.522 179.322 176.870 -0.117 0.000 1.073 522 L CA 0.542 55.346 54.840 -0.061 0.000 0.748 522 L CB -0.547 41.542 42.059 0.051 0.000 0.891 522 L HN 0.071 nan 8.230 nan 0.000 0.431 523 L N 0.405 121.579 121.223 -0.082 0.000 2.012 523 L HA -0.257 4.082 4.340 -0.001 0.000 0.210 523 L C 2.569 179.255 176.870 -0.306 0.000 1.073 523 L CA 1.953 56.744 54.840 -0.081 0.000 0.748 523 L CB -0.678 41.412 42.059 0.052 0.000 0.891 523 L HN 0.332 nan 8.230 nan 0.000 0.431 524 E N -0.985 118.788 120.200 -0.711 0.000 2.153 524 E HA -0.245 4.105 4.350 -0.001 0.000 0.194 524 E C 1.849 178.318 176.600 -0.219 0.000 0.988 524 E CA 1.105 57.117 56.400 -0.647 0.000 0.811 524 E CB -0.002 29.117 29.700 -0.969 0.000 0.746 524 E HN 0.538 nan 8.360 nan 0.000 0.466 525 E N 0.047 120.136 120.200 -0.185 0.000 2.077 525 E HA -0.166 4.183 4.350 -0.001 0.000 0.193 525 E C 2.303 178.924 176.600 0.035 0.000 0.989 525 E CA 1.876 58.248 56.400 -0.046 0.000 0.800 525 E CB -0.493 29.169 29.700 -0.064 0.000 0.746 525 E HN 0.531 nan 8.360 nan 0.000 0.452 526 T N -0.719 113.830 114.554 -0.007 0.000 2.857 526 T HA -0.022 4.327 4.350 -0.001 0.000 0.266 526 T C 2.271 177.037 174.700 0.109 0.000 1.048 526 T CA 0.547 62.672 62.100 0.040 0.000 1.139 526 T CB -0.501 68.367 68.868 -0.000 0.000 0.874 526 T HN 0.035 nan 8.240 nan 0.000 0.455 527 L N -0.835 120.442 121.223 0.090 0.000 1.990 527 L HA -0.099 4.240 4.340 -0.001 0.000 0.213 527 L C 2.802 179.847 176.870 0.292 0.000 1.072 527 L CA 2.052 56.993 54.840 0.168 0.000 0.755 527 L CB -0.724 41.424 42.059 0.149 0.000 0.889 527 L HN 0.440 nan 8.230 nan 0.000 0.432 528 W N 0.552 121.868 121.300 0.027 0.000 2.358 528 W HA -0.249 4.411 4.660 0.000 0.000 0.303 528 W C 2.577 179.127 176.519 0.052 0.000 1.208 528 W CA 1.259 58.626 57.345 0.037 0.000 1.274 528 W CB 0.014 29.469 29.460 -0.007 0.000 1.138 528 W HN 0.234 nan 8.180 nan 0.000 0.515 529 A N 0.076 122.996 122.820 0.167 0.000 1.917 529 A HA -0.300 4.019 4.320 -0.001 0.000 0.219 529 A C 1.751 179.358 177.584 0.038 0.000 1.182 529 A CA 1.890 53.969 52.037 0.070 0.000 0.633 529 A CB -1.522 17.530 19.000 0.087 0.000 0.819 529 A HN 0.400 nan 8.150 nan 0.000 0.448 530 F N 0.509 120.435 119.950 -0.041 0.000 2.102 530 F HA -0.150 4.376 4.527 -0.002 0.000 0.298 530 F C 2.430 178.153 175.800 -0.129 0.000 1.105 530 F CA 1.991 59.953 58.000 -0.064 0.000 1.239 530 F CB -0.142 38.842 39.000 -0.026 0.000 0.991 530 F HN 0.192 nan 8.300 nan 0.000 0.474 531 R N 1.214 121.701 120.500 -0.023 0.000 2.200 531 R HA -0.144 4.195 4.340 -0.001 0.000 0.234 531 R C 1.935 177.978 176.300 -0.428 0.000 1.127 531 R CA 1.434 57.374 56.100 -0.267 0.000 0.989 531 R CB -0.551 29.457 30.300 -0.486 0.000 0.869 531 R HN 0.345 nan 8.270 nan 0.000 0.459 532 R N -0.510 119.747 120.500 -0.405 0.000 2.173 532 R HA 0.040 4.380 4.340 -0.001 0.000 0.208 532 R C 1.791 177.951 176.300 -0.233 0.000 1.035 532 R CA 0.680 56.587 56.100 -0.322 0.000 1.004 532 R CB 0.193 30.336 30.300 -0.261 0.000 0.917 532 R HN -0.015 nan 8.270 nan 0.000 0.462 533 K N 0.690 120.928 120.400 -0.269 0.000 2.056 533 K HA 0.181 4.500 4.320 -0.001 0.000 0.205 533 K C 0.812 177.211 176.600 -0.334 0.000 1.035 533 K CA 0.972 57.109 56.287 -0.251 0.000 0.955 533 K CB -0.230 32.115 32.500 -0.258 0.000 0.769 533 K HN 0.061 nan 8.250 nan 0.000 0.447 534 A N -0.361 122.115 122.820 -0.574 0.000 2.267 534 A HA 0.511 4.830 4.320 -0.001 0.000 0.271 534 A C 1.003 178.392 177.584 -0.326 0.000 1.131 534 A CA 0.181 51.934 52.037 -0.472 0.000 0.818 534 A CB -0.042 18.544 19.000 -0.691 0.000 1.118 534 A HN 0.380 nan 8.150 nan 0.000 0.501 535 G N -0.971 107.713 108.800 -0.195 0.000 3.605 535 G HA2 0.454 4.413 3.960 -0.001 0.000 0.277 535 G HA3 0.454 4.413 3.960 -0.001 0.000 0.277 535 G C 0.355 175.208 174.900 -0.078 0.000 1.093 535 G CA -0.053 44.966 45.100 -0.135 0.000 0.821 535 G HN 0.860 nan 8.290 nan 0.000 0.532 536 R N -1.256 119.222 120.500 -0.036 0.000 2.870 536 R HA 0.654 4.994 4.340 -0.001 0.000 0.262 536 R C -1.047 175.381 176.300 0.214 0.000 1.112 536 R CA -1.050 55.097 56.100 0.078 0.000 0.976 536 R CB 0.734 31.101 30.300 0.112 0.000 1.261 536 R HN -0.034 nan 8.270 nan 0.000 0.453 537 L N 0.949 122.297 121.223 0.209 0.000 2.421 537 L HA 0.474 4.814 4.340 -0.001 0.000 0.263 537 L C -2.063 174.908 176.870 0.167 0.000 1.122 537 L CA -2.307 52.664 54.840 0.218 0.000 0.804 537 L CB 0.873 43.019 42.059 0.145 0.000 1.150 537 L HN 0.394 nan 8.230 nan 0.000 0.457 538 P HA 0.098 nan 4.420 nan 0.000 0.278 538 P C 0.225 177.433 177.300 -0.153 0.000 1.238 538 P CA -0.502 62.289 63.100 -0.515 0.000 0.794 538 P CB 1.000 32.094 31.700 -1.009 0.000 0.955 539 S N 2.555 118.205 115.700 -0.084 0.000 2.383 539 S HA -0.109 4.361 4.470 -0.001 0.000 0.227 539 S C 0.713 175.295 174.600 -0.030 0.000 1.026 539 S CA 0.524 58.710 58.200 -0.023 0.000 0.981 539 S CB -0.252 62.949 63.200 0.002 0.000 0.818 539 S HN 0.651 nan 8.310 nan 0.000 0.472 540 R N 0.337 120.800 120.500 -0.060 0.000 2.536 540 R HA 0.466 4.805 4.340 -0.001 0.000 0.269 540 R C -1.661 174.618 176.300 -0.034 0.000 1.113 540 R CA -0.696 55.391 56.100 -0.021 0.000 0.948 540 R CB 1.701 31.998 30.300 -0.005 0.000 1.237 540 R HN 0.187 nan 8.270 nan 0.000 0.441 541 V N 2.147 122.078 119.914 0.028 0.000 2.532 541 V HA 0.606 4.725 4.120 -0.001 0.000 0.295 541 V C -0.440 175.711 176.094 0.095 0.000 1.041 541 V CA -1.031 61.294 62.300 0.042 0.000 0.926 541 V CB 1.327 33.203 31.823 0.088 0.000 0.992 541 V HN 0.685 nan 8.190 nan 0.000 0.457 542 L N 5.495 126.755 121.223 0.062 0.000 2.275 542 L HA 0.640 4.979 4.340 -0.001 0.000 0.288 542 L C -0.787 176.148 176.870 0.109 0.000 1.046 542 L CA -0.244 54.634 54.840 0.064 0.000 0.805 542 L CB 0.987 43.054 42.059 0.013 0.000 1.193 542 L HN 0.656 nan 8.230 nan 0.000 0.426 543 L N 6.759 128.060 121.223 0.130 0.000 2.295 543 L HA 0.473 4.812 4.340 -0.001 0.000 0.281 543 L C -0.531 176.422 176.870 0.138 0.000 1.018 543 L CA -0.142 54.833 54.840 0.225 0.000 0.841 543 L CB 1.155 43.342 42.059 0.213 0.000 1.218 543 L HN 0.545 nan 8.230 nan 0.000 0.424 544 L N 3.435 124.785 121.223 0.211 0.000 2.289 544 L HA 0.592 4.931 4.340 -0.001 0.000 0.285 544 L C 0.177 177.191 176.870 0.240 0.000 1.049 544 L CA -0.727 54.195 54.840 0.137 0.000 0.804 544 L CB 1.472 43.588 42.059 0.095 0.000 1.195 544 L HN 0.523 nan 8.230 nan 0.000 0.428 545 R N 0.926 121.481 120.500 0.092 0.000 2.589 545 R HA 0.176 4.516 4.340 -0.001 0.000 0.293 545 R C 0.101 176.449 176.300 0.081 0.000 0.963 545 R CA -0.463 55.718 56.100 0.135 0.000 0.905 545 R CB 1.278 31.572 30.300 -0.010 0.000 1.144 545 R HN 0.601 nan 8.270 nan 0.000 0.459 546 D N 1.632 122.099 120.400 0.111 0.000 2.324 546 D HA 0.212 4.851 4.640 -0.001 0.000 0.235 546 D C 0.205 176.522 176.300 0.029 0.000 1.095 546 D CA 1.039 55.077 54.000 0.063 0.000 0.871 546 D CB 0.294 41.136 40.800 0.069 0.000 0.906 546 D HN 0.637 nan 8.370 nan 0.000 0.522 547 G N -0.942 107.866 108.800 0.014 0.000 2.565 547 G HA2 0.118 4.078 3.960 -0.001 0.000 0.142 547 G HA3 0.118 4.078 3.960 -0.001 0.000 0.142 547 G C -1.019 173.865 174.900 -0.028 0.000 1.181 547 G CA -0.988 44.105 45.100 -0.012 0.000 1.066 547 G HN -0.022 nan 8.290 nan 0.000 0.530 548 R N -0.092 120.390 120.500 -0.030 0.000 2.619 548 R HA 0.190 4.529 4.340 -0.001 0.000 0.268 548 R C -0.333 175.953 176.300 -0.024 0.000 0.990 548 R CA 0.153 56.231 56.100 -0.036 0.000 1.092 548 R CB 0.639 30.920 30.300 -0.032 0.000 0.935 548 R HN 0.208 nan 8.270 nan 0.000 0.415 549 V N 7.099 126.988 119.914 -0.042 0.000 2.334 549 V HA 0.134 4.253 4.120 -0.001 0.000 0.267 549 V C -1.836 174.257 176.094 -0.002 0.000 1.040 549 V CA -1.767 60.518 62.300 -0.026 0.000 0.866 549 V CB 1.126 32.883 31.823 -0.109 0.000 1.019 549 V HN 0.635 nan 8.190 nan 0.000 0.468 550 P HA -0.028 nan 4.420 nan 0.000 0.260 550 P C 0.128 177.439 177.300 0.017 0.000 1.172 550 P CA 0.042 63.151 63.100 0.014 0.000 0.760 550 P CB 0.240 31.954 31.700 0.024 0.000 0.773 551 Q N 3.497 123.297 119.800 -0.001 0.000 3.251 551 Q HA -0.195 4.145 4.340 -0.001 0.000 0.380 551 Q C 0.451 176.458 176.000 0.011 0.000 1.047 551 Q CA 1.426 57.228 55.803 -0.002 0.000 1.231 551 Q CB -0.383 28.348 28.738 -0.011 0.000 1.012 551 Q HN 0.526 nan 8.270 nan 0.000 0.438 552 D N 1.497 121.908 120.400 0.019 0.000 3.077 552 D HA -0.223 4.417 4.640 -0.001 0.000 0.212 552 D C 0.920 177.244 176.300 0.041 0.000 1.125 552 D CA 1.329 55.343 54.000 0.023 0.000 0.970 552 D CB -0.730 40.073 40.800 0.005 0.000 1.110 552 D HN 0.825 nan 8.370 nan 0.000 0.419 553 E N -0.747 119.502 120.200 0.082 0.000 2.110 553 E HA -0.162 4.187 4.350 -0.001 0.000 0.193 553 E C 1.354 177.973 176.600 0.032 0.000 0.988 553 E CA 0.977 57.423 56.400 0.076 0.000 0.804 553 E CB -0.050 29.740 29.700 0.150 0.000 0.745 553 E HN 0.290 nan 8.360 nan 0.000 0.458 554 F N -0.171 119.698 119.950 -0.134 0.000 2.660 554 F HA 0.366 4.893 4.527 -0.000 0.000 0.302 554 F C 1.612 177.329 175.800 -0.138 0.000 1.103 554 F CA 0.166 58.066 58.000 -0.166 0.000 1.340 554 F CB 0.018 38.884 39.000 -0.223 0.000 1.048 554 F HN 0.076 nan 8.300 nan 0.000 0.551 555 A N 0.542 123.386 122.820 0.041 0.000 1.841 555 A HA -0.217 4.102 4.320 -0.001 0.000 0.216 555 A C 2.247 179.801 177.584 -0.049 0.000 1.199 555 A CA 1.825 53.858 52.037 -0.007 0.000 0.621 555 A CB -1.043 17.951 19.000 -0.009 0.000 0.835 555 A HN 0.396 nan 8.150 nan 0.000 0.445 556 L N -0.683 120.501 121.223 -0.065 0.000 2.043 556 L HA -0.213 4.126 4.340 -0.001 0.000 0.212 556 L C 2.831 179.606 176.870 -0.158 0.000 1.075 556 L CA 1.849 56.622 54.840 -0.111 0.000 0.752 556 L CB -0.342 41.663 42.059 -0.090 0.000 0.891 556 L HN 0.425 nan 8.230 nan 0.000 0.432 557 A N -0.845 121.934 122.820 -0.069 0.000 1.902 557 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 557 A C 2.056 179.616 177.584 -0.039 0.000 1.181 557 A CA 1.637 53.703 52.037 0.049 0.000 0.623 557 A CB -0.651 18.389 19.000 0.066 0.000 0.818 557 A HN 0.392 nan 8.150 nan 0.000 0.443 558 L N -0.464 120.687 121.223 -0.119 0.000 2.072 558 L HA -0.049 4.290 4.340 -0.001 0.000 0.205 558 L C 2.430 179.248 176.870 -0.087 0.000 1.079 558 L CA 1.646 56.323 54.840 -0.271 0.000 0.752 558 L CB -1.236 40.586 42.059 -0.397 0.000 0.906 558 L HN 0.351 nan 8.230 nan 0.000 0.436 559 E N 0.283 120.430 120.200 -0.089 0.000 2.048 559 E HA -0.239 4.111 4.350 -0.001 0.000 0.202 559 E C 2.230 178.748 176.600 -0.137 0.000 1.021 559 E CA 1.737 58.088 56.400 -0.081 0.000 0.825 559 E CB -0.226 29.402 29.700 -0.120 0.000 0.756 559 E HN 0.365 nan 8.360 nan 0.000 0.454 560 A N 0.888 123.516 122.820 -0.320 0.000 1.883 560 A HA -0.178 4.141 4.320 -0.001 0.000 0.217 560 A C 2.596 180.048 177.584 -0.219 0.000 1.186 560 A CA 1.630 53.357 52.037 -0.517 0.000 0.624 560 A CB -0.887 17.245 19.000 -1.447 0.000 0.822 560 A HN 0.329 nan 8.150 nan 0.000 0.444 561 L N -0.929 120.274 121.223 -0.034 0.000 2.043 561 L HA -0.279 4.060 4.340 -0.001 0.000 0.212 561 L C 3.121 180.093 176.870 0.171 0.000 1.075 561 L CA 1.187 56.139 54.840 0.187 0.000 0.752 561 L CB -0.609 41.634 42.059 0.307 0.000 0.891 561 L HN 0.506 nan 8.230 nan 0.000 0.432 562 A N 0.262 123.176 122.820 0.157 0.000 1.828 562 A HA -0.247 4.072 4.320 -0.001 0.000 0.215 562 A C 2.244 179.859 177.584 0.052 0.000 1.203 562 A CA 1.744 53.849 52.037 0.113 0.000 0.614 562 A CB -0.681 18.383 19.000 0.106 0.000 0.844 562 A HN 0.316 nan 8.150 nan 0.000 0.445 563 R N -0.785 119.721 120.500 0.009 0.000 2.244 563 R HA -0.206 4.133 4.340 -0.001 0.000 0.252 563 R C 1.716 178.030 176.300 0.023 0.000 1.177 563 R CA 1.667 57.764 56.100 -0.005 0.000 1.004 563 R CB -0.175 30.094 30.300 -0.052 0.000 0.873 563 R HN 0.584 nan 8.270 nan 0.000 0.469 564 E N -1.189 119.041 120.200 0.051 0.000 2.472 564 E HA 0.090 4.440 4.350 -0.001 0.000 0.196 564 E C 0.712 177.367 176.600 0.091 0.000 1.033 564 E CA 0.627 57.082 56.400 0.092 0.000 0.886 564 E CB 0.809 30.601 29.700 0.153 0.000 0.944 564 E HN 0.371 nan 8.360 nan 0.000 0.492 565 G N 0.729 109.575 108.800 0.076 0.000 2.137 565 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.237 565 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.237 565 G C 0.091 175.031 174.900 0.066 0.000 1.002 565 G CA 0.357 45.493 45.100 0.060 0.000 0.702 565 G HN 0.236 nan 8.290 nan 0.000 0.515 566 I N 1.051 121.681 120.570 0.100 0.000 2.385 566 I HA 0.624 4.793 4.170 -0.001 0.000 0.294 566 I C 0.860 177.040 176.117 0.105 0.000 0.988 566 I CA -0.438 60.923 61.300 0.101 0.000 1.265 566 I CB 1.735 39.819 38.000 0.139 0.000 1.388 566 I HN 0.275 nan 8.210 nan 0.000 0.480 567 A N 6.454 129.301 122.820 0.044 0.000 2.302 567 A HA 0.722 5.041 4.320 -0.001 0.000 0.285 567 A C -0.969 176.657 177.584 0.069 0.000 1.105 567 A CA -0.175 51.843 52.037 -0.032 0.000 0.816 567 A CB 0.514 19.479 19.000 -0.059 0.000 1.067 567 A HN 0.737 nan 8.150 nan 0.000 0.489 568 Y N -1.029 119.303 120.300 0.052 0.000 2.597 568 Y HA 0.758 5.307 4.550 -0.001 0.000 0.340 568 Y C -1.326 174.617 175.900 0.071 0.000 1.097 568 Y CA -1.344 56.795 58.100 0.065 0.000 1.037 568 Y CB 1.649 40.164 38.460 0.092 0.000 1.305 568 Y HN 0.486 nan 8.280 nan 0.000 0.463 569 D N 2.811 123.414 120.400 0.339 0.000 2.863 569 D HA 0.342 4.981 4.640 -0.001 0.000 0.245 569 D C -1.465 174.915 176.300 0.133 0.000 1.211 569 D CA -0.373 53.770 54.000 0.238 0.000 0.888 569 D CB 3.231 44.045 40.800 0.024 0.000 1.483 569 D HN 0.617 nan 8.370 nan 0.000 0.533 570 L N 1.843 123.129 121.223 0.106 0.000 2.322 570 L HA 0.585 4.924 4.340 -0.001 0.000 0.279 570 L C -1.037 175.778 176.870 -0.091 0.000 1.036 570 L CA -0.721 54.065 54.840 -0.089 0.000 0.807 570 L CB 1.702 43.635 42.059 -0.210 0.000 1.226 570 L HN 0.114 nan 8.230 nan 0.000 0.433 571 V N 2.550 122.378 119.914 -0.144 0.000 2.610 571 V HA 0.197 4.316 4.120 -0.001 0.000 0.298 571 V C -0.128 175.891 176.094 -0.124 0.000 1.067 571 V CA -0.664 61.569 62.300 -0.112 0.000 0.894 571 V CB 1.880 33.646 31.823 -0.095 0.000 1.015 571 V HN 0.804 nan 8.190 nan 0.000 0.432 572 S N 3.390 119.015 115.700 -0.125 0.000 2.537 572 S HA 0.374 4.843 4.470 -0.001 0.000 0.286 572 S C -0.048 174.484 174.600 -0.114 0.000 1.299 572 S CA -0.188 57.945 58.200 -0.112 0.000 1.067 572 S CB 0.921 64.058 63.200 -0.104 0.000 0.864 572 S HN 0.523 nan 8.310 nan 0.000 0.494 573 V N 5.361 125.227 119.914 -0.080 0.000 2.444 573 V HA 0.452 4.571 4.120 -0.001 0.000 0.294 573 V C -0.087 175.969 176.094 -0.062 0.000 1.022 573 V CA -0.728 61.523 62.300 -0.081 0.000 0.850 573 V CB 1.390 33.190 31.823 -0.038 0.000 0.992 573 V HN 0.749 nan 8.190 nan 0.000 0.426 574 R N 3.249 123.701 120.500 -0.080 0.000 2.437 574 R HA 0.476 4.815 4.340 -0.001 0.000 0.310 574 R C 0.363 176.634 176.300 -0.048 0.000 0.955 574 R CA -0.681 55.383 56.100 -0.061 0.000 0.851 574 R CB 2.194 32.449 30.300 -0.075 0.000 1.161 574 R HN 0.559 nan 8.270 nan 0.000 0.446 575 K N 0.552 120.934 120.400 -0.029 0.000 2.486 575 K HA -0.001 4.318 4.320 -0.001 0.000 0.194 575 K C 0.454 177.041 176.600 -0.021 0.000 1.033 575 K CA 0.555 56.831 56.287 -0.018 0.000 1.004 575 K CB 0.328 32.825 32.500 -0.005 0.000 0.798 575 K HN 0.587 nan 8.250 nan 0.000 0.495 576 S N -2.290 113.392 115.700 -0.029 0.000 2.556 576 S HA 0.581 5.050 4.470 -0.001 0.000 0.271 576 S C 0.374 174.950 174.600 -0.040 0.000 1.135 576 S CA -0.154 58.030 58.200 -0.027 0.000 0.858 576 S CB 2.025 65.215 63.200 -0.018 0.000 1.114 576 S HN 0.216 nan 8.310 nan 0.000 0.468 577 G N 0.890 109.667 108.800 -0.038 0.000 2.231 577 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.206 577 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.206 577 G C 0.914 175.780 174.900 -0.057 0.000 0.996 577 G CA 0.128 45.197 45.100 -0.052 0.000 0.645 577 G HN 1.740 nan 8.290 nan 0.000 0.498 578 G N 0.412 109.181 108.800 -0.052 0.000 2.920 578 G HA2 0.514 4.473 3.960 -0.001 0.000 0.208 578 G HA3 0.514 4.473 3.960 -0.001 0.000 0.208 578 G C 1.683 176.561 174.900 -0.037 0.000 1.159 578 G CA 1.596 46.664 45.100 -0.053 0.000 0.784 578 G HN 1.974 nan 8.290 nan 0.000 0.535 579 G N 0.140 108.927 108.800 -0.022 0.000 2.582 579 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.288 579 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.288 579 G C -0.058 174.814 174.900 -0.047 0.000 1.247 579 G CA 0.392 45.489 45.100 -0.005 0.000 0.972 579 G HN 0.712 nan 8.290 nan 0.000 0.557 580 R N -2.006 118.444 120.500 -0.084 0.000 2.888 580 R HA 0.798 5.137 4.340 -0.001 0.000 0.266 580 R C -0.904 175.182 176.300 -0.357 0.000 1.020 580 R CA -0.442 55.513 56.100 -0.242 0.000 0.963 580 R CB 2.265 32.395 30.300 -0.285 0.000 1.197 580 R HN 0.795 nan 8.270 nan 0.000 0.481 581 V N 2.780 122.370 119.914 -0.540 0.000 2.623 581 V HA 0.500 4.619 4.120 -0.001 0.000 0.304 581 V C -1.542 174.243 176.094 -0.515 0.000 1.054 581 V CA -0.681 61.373 62.300 -0.411 0.000 0.882 581 V CB 1.572 33.269 31.823 -0.210 0.000 1.002 581 V HN 0.612 nan 8.190 nan 0.000 0.424 582 Y N 5.121 125.462 120.300 0.068 0.000 2.485 582 Y HA 0.674 5.223 4.550 -0.001 0.000 0.345 582 Y C -2.483 173.497 175.900 0.133 0.000 0.998 582 Y CA -3.148 55.021 58.100 0.116 0.000 1.059 582 Y CB 1.949 40.562 38.460 0.255 0.000 1.234 582 Y HN 0.412 nan 8.280 nan 0.000 0.461 583 P HA 0.160 nan 4.420 nan 0.000 0.284 583 P C 0.464 177.964 177.300 0.335 0.000 1.253 583 P CA -0.307 62.894 63.100 0.168 0.000 0.800 583 P CB 1.484 33.222 31.700 0.064 0.000 0.961 584 V N 0.476 120.484 119.914 0.157 0.000 2.427 584 V HA -0.063 4.057 4.120 -0.001 0.000 0.248 584 V C 1.292 177.535 176.094 0.248 0.000 1.051 584 V CA 2.567 64.984 62.300 0.193 0.000 1.048 584 V CB -1.461 30.286 31.823 -0.126 0.000 0.666 584 V HN 0.791 nan 8.190 nan 0.000 0.456 585 Q N -2.236 117.660 119.800 0.161 0.000 2.522 585 Q HA 0.576 4.915 4.340 -0.001 0.000 0.285 585 Q C 0.019 176.102 176.000 0.138 0.000 0.982 585 Q CA 0.332 56.229 55.803 0.157 0.000 0.805 585 Q CB 1.215 30.015 28.738 0.104 0.000 1.457 585 Q HN 1.394 nan 8.270 nan 0.000 0.394 586 G N -1.336 107.559 108.800 0.159 0.000 2.508 586 G HA2 0.552 4.511 3.960 -0.001 0.000 0.220 586 G HA3 0.552 4.511 3.960 -0.001 0.000 0.220 586 G C 0.165 175.188 174.900 0.205 0.000 1.287 586 G CA 0.935 46.118 45.100 0.139 0.000 0.916 586 G HN 2.230 nan 8.290 nan 0.000 0.574 587 R N -1.605 118.967 120.500 0.120 0.000 2.873 587 R HA 1.066 5.405 4.340 -0.001 0.000 0.264 587 R C 0.646 176.871 176.300 -0.125 0.000 1.026 587 R CA 0.603 56.751 56.100 0.080 0.000 1.002 587 R CB 0.167 30.543 30.300 0.126 0.000 1.174 587 R HN 2.499 nan 8.270 nan 0.000 0.488 588 L N 0.806 121.812 121.223 -0.361 0.000 2.360 588 L HA 0.792 5.131 4.340 -0.001 0.000 0.276 588 L C 0.969 177.733 176.870 -0.176 0.000 1.121 588 L CA -0.415 54.225 54.840 -0.334 0.000 0.845 588 L CB -0.196 41.550 42.059 -0.522 0.000 1.143 588 L HN 1.522 nan 8.230 nan 0.000 0.452 589 A N 2.181 124.929 122.820 -0.120 0.000 2.257 589 A HA 0.606 4.925 4.320 -0.001 0.000 0.289 589 A C 0.106 177.646 177.584 -0.074 0.000 1.095 589 A CA -0.415 51.582 52.037 -0.067 0.000 0.836 589 A CB 0.270 19.242 19.000 -0.046 0.000 1.111 589 A HN 0.900 nan 8.150 nan 0.000 0.497 590 D N -0.244 120.140 120.400 -0.027 0.000 2.316 590 D HA 0.463 5.102 4.640 -0.001 0.000 0.245 590 D C 0.740 176.926 176.300 -0.190 0.000 1.171 590 D CA 1.589 55.579 54.000 -0.017 0.000 0.856 590 D CB 0.634 41.514 40.800 0.133 0.000 1.090 590 D HN 1.107 nan 8.370 nan 0.000 0.476 591 G N 2.752 111.273 108.800 -0.465 0.000 2.155 591 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.135 591 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.135 591 G C -0.213 174.413 174.900 -0.456 0.000 1.023 591 G CA -0.695 43.787 45.100 -1.030 0.000 0.688 591 G HN 0.415 nan 8.290 nan 0.000 0.499 592 L N 1.213 122.295 121.223 -0.235 0.000 2.418 592 L HA 0.448 4.787 4.340 -0.001 0.000 0.274 592 L C 0.443 177.331 176.870 0.030 0.000 1.135 592 L CA -0.622 54.171 54.840 -0.078 0.000 0.870 592 L CB 0.043 42.054 42.059 -0.079 0.000 1.154 592 L HN 0.320 nan 8.230 nan 0.000 0.462 593 Y N 4.594 124.881 120.300 -0.023 0.000 2.341 593 Y HA 0.563 5.112 4.550 -0.001 0.000 0.340 593 Y C -0.545 175.415 175.900 0.100 0.000 0.997 593 Y CA -1.201 56.908 58.100 0.015 0.000 1.149 593 Y CB 1.149 39.553 38.460 -0.093 0.000 1.171 593 Y HN 0.231 nan 8.280 nan 0.000 0.494 594 V N 9.662 129.440 119.914 -0.227 0.000 2.315 594 V HA 0.309 4.428 4.120 -0.001 0.000 0.265 594 V C -2.256 173.685 176.094 -0.254 0.000 1.019 594 V CA -1.937 60.214 62.300 -0.249 0.000 0.824 594 V CB 0.594 32.376 31.823 -0.068 0.000 1.072 594 V HN 0.727 nan 8.190 nan 0.000 0.448 595 P HA 0.147 nan 4.420 nan 0.000 0.269 595 P C -0.146 177.140 177.300 -0.023 0.000 1.205 595 P CA 0.666 63.666 63.100 -0.167 0.000 0.780 595 P CB 0.907 32.490 31.700 -0.195 0.000 0.858 596 L N -1.294 119.960 121.223 0.051 0.000 2.813 596 L HA 0.353 4.693 4.340 -0.001 0.000 0.233 596 L C 0.494 177.393 176.870 0.048 0.000 1.313 596 L CA -1.005 53.860 54.840 0.041 0.000 1.390 596 L CB 0.020 42.103 42.059 0.040 0.000 1.671 596 L HN 0.270 nan 8.230 nan 0.000 0.481 597 E N 1.790 122.014 120.200 0.040 0.000 2.708 597 E HA -0.154 4.195 4.350 -0.001 0.000 0.260 597 E C -0.785 175.844 176.600 0.048 0.000 0.937 597 E CA -0.003 56.417 56.400 0.034 0.000 0.953 597 E CB 0.459 30.166 29.700 0.013 0.000 0.915 597 E HN 0.417 nan 8.360 nan 0.000 0.487 598 D N 3.842 124.269 120.400 0.044 0.000 2.515 598 D HA -0.144 4.495 4.640 -0.001 0.000 0.232 598 D C 0.042 176.380 176.300 0.063 0.000 1.157 598 D CA 0.693 54.726 54.000 0.056 0.000 0.871 598 D CB 0.485 41.304 40.800 0.031 0.000 1.200 598 D HN 0.527 nan 8.370 nan 0.000 0.466 599 K N -0.694 119.767 120.400 0.101 0.000 3.553 599 K HA -0.161 4.158 4.320 -0.001 0.000 0.303 599 K C -0.030 176.657 176.600 0.145 0.000 1.327 599 K CA 1.328 57.682 56.287 0.112 0.000 0.983 599 K CB -2.747 29.773 32.500 0.033 0.000 1.275 599 K HN 0.715 nan 8.250 nan 0.000 0.453 600 T N -0.628 114.023 114.554 0.160 0.000 2.982 600 T HA 0.702 5.052 4.350 -0.001 0.000 0.321 600 T C -1.260 173.567 174.700 0.212 0.000 1.229 600 T CA -0.592 61.571 62.100 0.105 0.000 1.044 600 T CB 1.336 70.196 68.868 -0.012 0.000 1.184 600 T HN 0.274 nan 8.240 nan 0.000 0.477 601 F N 2.204 122.194 119.950 0.067 0.000 2.645 601 F HA 0.821 5.348 4.527 -0.001 0.000 0.310 601 F C -1.862 173.972 175.800 0.056 0.000 1.102 601 F CA -1.565 56.481 58.000 0.076 0.000 0.952 601 F CB 0.992 40.140 39.000 0.246 0.000 1.326 601 F HN 0.549 nan 8.300 nan 0.000 0.456 602 L N 2.221 123.558 121.223 0.190 0.000 2.399 602 L HA 0.710 5.050 4.340 -0.001 0.000 0.265 602 L C -1.085 175.960 176.870 0.292 0.000 1.089 602 L CA -1.209 53.685 54.840 0.091 0.000 0.802 602 L CB 1.651 43.727 42.059 0.029 0.000 1.180 602 L HN 0.719 nan 8.230 nan 0.000 0.454 603 L N 2.368 123.689 121.223 0.163 0.000 2.476 603 L HA 0.441 4.780 4.340 -0.001 0.000 0.269 603 L C -1.348 175.557 176.870 0.058 0.000 0.965 603 L CA -0.056 54.900 54.840 0.194 0.000 0.845 603 L CB 1.727 43.949 42.059 0.272 0.000 1.259 603 L HN 0.471 nan 8.230 nan 0.000 0.403 604 L N 5.068 126.287 121.223 -0.005 0.000 2.360 604 L HA 0.349 4.688 4.340 -0.001 0.000 0.265 604 L C 0.769 177.604 176.870 -0.059 0.000 1.066 604 L CA 0.086 54.899 54.840 -0.045 0.000 0.929 604 L CB 1.116 43.126 42.059 -0.083 0.000 1.306 604 L HN 0.941 nan 8.230 nan 0.000 0.434 605 T N 0.309 114.879 114.554 0.028 0.000 3.100 605 T HA 0.293 4.643 4.350 -0.001 0.000 0.253 605 T C 0.400 175.214 174.700 0.191 0.000 1.118 605 T CA 0.750 62.943 62.100 0.155 0.000 1.058 605 T CB 0.149 69.145 68.868 0.213 0.000 0.953 605 T HN 0.302 nan 8.240 nan 0.000 0.515 606 V N -0.960 119.011 119.914 0.095 0.000 2.891 606 V HA 0.786 4.905 4.120 -0.001 0.000 0.304 606 V C -0.698 175.425 176.094 0.048 0.000 1.171 606 V CA -0.615 61.747 62.300 0.102 0.000 0.943 606 V CB 1.202 33.083 31.823 0.097 0.000 1.037 606 V HN 0.995 nan 8.190 nan 0.000 0.427 612 G N -0.025 108.839 108.800 0.107 0.000 2.529 612 G HA2 0.417 4.377 3.960 -0.001 0.000 0.220 612 G HA3 0.417 4.377 3.960 -0.001 0.000 0.220 612 G C 0.053 175.069 174.900 0.192 0.000 1.976 612 G CA 1.078 46.263 45.100 0.142 0.000 0.789 612 G HN 0.810 nan 8.290 nan 0.000 0.695 613 T N 2.827 117.483 114.554 0.171 0.000 2.758 613 T HA 0.557 4.906 4.350 -0.001 0.000 0.285 613 T C -2.654 172.099 174.700 0.087 0.000 0.981 613 T CA -0.723 61.486 62.100 0.183 0.000 0.965 613 T CB 1.870 70.869 68.868 0.218 0.000 0.927 613 T HN 0.044 nan 8.240 nan 0.000 0.448 614 P HA 0.303 nan 4.420 nan 0.000 0.271 614 P C -0.453 176.828 177.300 -0.032 0.000 1.216 614 P CA -0.474 62.619 63.100 -0.012 0.000 0.771 614 P CB 0.513 32.175 31.700 -0.063 0.000 0.864 615 R N 4.353 124.844 120.500 -0.016 0.000 2.215 615 R HA 0.365 4.704 4.340 -0.001 0.000 0.337 615 R C -2.214 174.067 176.300 -0.031 0.000 1.010 615 R CA -1.643 54.442 56.100 -0.024 0.000 0.871 615 R CB 0.313 30.610 30.300 -0.005 0.000 1.134 615 R HN 0.385 nan 8.270 nan 0.000 0.477 616 P HA 0.043 nan 4.420 nan 0.000 0.275 616 P C -0.198 177.081 177.300 -0.035 0.000 1.227 616 P CA -0.277 62.798 63.100 -0.041 0.000 0.781 616 P CB 0.663 32.329 31.700 -0.056 0.000 0.906 617 L N 2.037 123.245 121.223 -0.025 0.000 2.483 617 L HA 0.173 4.512 4.340 -0.001 0.000 0.275 617 L C 1.015 177.833 176.870 -0.086 0.000 1.220 617 L CA 0.248 55.060 54.840 -0.046 0.000 0.833 617 L CB 0.009 42.049 42.059 -0.032 0.000 1.102 617 L HN 0.400 nan 8.230 nan 0.000 0.490 618 K N 2.700 123.026 120.400 -0.123 0.000 2.413 618 K HA 0.585 4.905 4.320 -0.001 0.000 0.257 618 K C -1.622 174.820 176.600 -0.265 0.000 0.946 618 K CA -0.660 55.520 56.287 -0.178 0.000 0.823 618 K CB 1.206 33.629 32.500 -0.128 0.000 1.109 618 K HN 0.334 nan 8.250 nan 0.000 0.427 619 L N 3.748 124.681 121.223 -0.483 0.000 2.346 619 L HA 0.495 4.834 4.340 -0.001 0.000 0.276 619 L C -0.934 175.653 176.870 -0.471 0.000 1.006 619 L CA -0.922 53.570 54.840 -0.581 0.000 0.817 619 L CB 2.074 43.510 42.059 -1.039 0.000 1.272 619 L HN 0.265 nan 8.230 nan 0.000 0.421 620 V N 1.058 120.829 119.914 -0.239 0.000 2.376 620 V HA 0.230 4.349 4.120 -0.001 0.000 0.287 620 V C -0.244 175.862 176.094 0.021 0.000 1.015 620 V CA -0.630 61.615 62.300 -0.092 0.000 0.834 620 V CB 1.163 32.939 31.823 -0.078 0.000 1.001 620 V HN 0.721 nan 8.190 nan 0.000 0.428 621 H N 3.136 122.214 119.070 0.014 0.000 3.232 621 H HA 0.104 4.659 4.556 -0.001 0.000 0.254 621 H C 0.999 176.330 175.328 0.005 0.000 1.213 621 H CA -0.193 55.884 56.048 0.048 0.000 1.503 621 H CB 0.626 30.457 29.762 0.115 0.000 1.563 621 H HN 0.743 nan 8.280 nan 0.000 0.490 622 E N 3.390 123.713 120.200 0.205 0.000 2.158 622 E HA 0.191 4.540 4.350 -0.001 0.000 0.191 622 E C -0.532 176.118 176.600 0.083 0.000 0.982 622 E CA 0.789 57.228 56.400 0.066 0.000 0.823 622 E CB 0.513 30.183 29.700 -0.049 0.000 0.766 622 E HN 0.682 nan 8.360 nan 0.000 0.468 623 A N -1.349 121.601 122.820 0.217 0.000 2.594 623 A HA 0.673 4.992 4.320 -0.001 0.000 0.296 623 A C -0.308 177.493 177.584 0.361 0.000 1.061 623 A CA -0.302 51.855 52.037 0.200 0.000 0.689 623 A CB 0.941 20.063 19.000 0.203 0.000 1.280 623 A HN 0.369 nan 8.150 nan 0.000 0.406 624 G N 0.939 109.862 108.800 0.206 0.000 2.570 624 G HA2 0.420 4.379 3.960 -0.001 0.000 0.686 624 G HA3 0.420 4.379 3.960 -0.001 0.000 0.686 624 G C -0.626 174.296 174.900 0.036 0.000 1.257 624 G CA 0.520 45.710 45.100 0.151 0.000 0.846 624 G HN 2.048 nan 8.290 nan 0.000 0.627 625 D N -0.849 119.558 120.400 0.013 0.000 2.670 625 D HA 0.357 4.996 4.640 -0.001 0.000 0.255 625 D C 0.761 177.090 176.300 0.047 0.000 1.286 625 D CA 0.172 54.159 54.000 -0.022 0.000 0.830 625 D CB 0.256 41.018 40.800 -0.063 0.000 1.065 625 D HN 0.467 nan 8.370 nan 0.000 0.486 626 T N 1.841 116.498 114.554 0.171 0.000 2.910 626 T HA 0.394 4.743 4.350 -0.001 0.000 0.293 626 T C -2.424 172.349 174.700 0.122 0.000 1.015 626 T CA -1.000 61.165 62.100 0.108 0.000 1.094 626 T CB 1.306 70.213 68.868 0.065 0.000 0.968 626 T HN 0.062 nan 8.240 nan 0.000 0.521 627 P HA 0.214 nan 4.420 nan 0.000 0.275 627 P C 0.725 177.983 177.300 -0.069 0.000 1.227 627 P CA -0.529 62.562 63.100 -0.015 0.000 0.781 627 P CB 0.483 32.142 31.700 -0.068 0.000 0.906 628 L N 2.465 123.656 121.223 -0.053 0.000 2.064 628 L HA -0.270 4.069 4.340 -0.001 0.000 0.216 628 L C 2.009 178.454 176.870 -0.709 0.000 1.077 628 L CA 2.095 56.788 54.840 -0.246 0.000 0.766 628 L CB -1.374 40.633 42.059 -0.087 0.000 0.890 628 L HN 0.432 nan 8.230 nan 0.000 0.435 629 E N -0.955 118.850 120.200 -0.657 0.000 2.153 629 E HA -0.161 4.188 4.350 -0.001 0.000 0.194 629 E C 2.263 178.515 176.600 -0.579 0.000 0.988 629 E CA 1.239 57.082 56.400 -0.928 0.000 0.811 629 E CB -0.436 28.940 29.700 -0.539 0.000 0.746 629 E HN 0.531 nan 8.360 nan 0.000 0.466 630 A N 0.589 123.203 122.820 -0.343 0.000 1.854 630 A HA -0.108 4.211 4.320 -0.001 0.000 0.214 630 A C 2.188 179.697 177.584 -0.124 0.000 1.192 630 A CA 1.034 52.968 52.037 -0.172 0.000 0.611 630 A CB -0.727 18.207 19.000 -0.110 0.000 0.832 630 A HN 0.187 nan 8.150 nan 0.000 0.442 631 L N -0.518 120.598 121.223 -0.178 0.000 2.013 631 L HA -0.269 4.070 4.340 -0.001 0.000 0.212 631 L C 3.028 179.828 176.870 -0.117 0.000 1.073 631 L CA 1.350 56.114 54.840 -0.126 0.000 0.753 631 L CB -0.622 41.360 42.059 -0.128 0.000 0.890 631 L HN 0.448 nan 8.230 nan 0.000 0.432 632 A N -1.523 121.068 122.820 -0.382 0.000 2.067 632 A HA -0.237 4.082 4.320 -0.001 0.000 0.219 632 A C 2.216 179.756 177.584 -0.073 0.000 1.158 632 A CA 1.417 53.244 52.037 -0.350 0.000 0.661 632 A CB -0.833 17.519 19.000 -1.080 0.000 0.801 632 A HN 0.560 nan 8.150 nan 0.000 0.452 633 H N -0.928 118.024 119.070 -0.197 0.000 2.284 633 H HA -0.087 4.469 4.556 -0.001 0.000 0.304 633 H C 2.249 177.547 175.328 -0.050 0.000 1.069 633 H CA 1.684 57.673 56.048 -0.099 0.000 1.327 633 H CB -0.095 29.556 29.762 -0.185 0.000 1.387 633 H HN 0.591 nan 8.280 nan 0.000 0.498 634 Q N 0.543 120.256 119.800 -0.145 0.000 2.030 634 Q HA -0.146 4.193 4.340 -0.001 0.000 0.204 634 Q C 2.638 178.546 176.000 -0.153 0.000 0.986 634 Q CA 2.126 57.797 55.803 -0.220 0.000 0.843 634 Q CB 0.014 28.683 28.738 -0.115 0.000 0.904 634 Q HN 0.533 nan 8.270 nan 0.000 0.420 635 I N 0.056 120.611 120.570 -0.026 0.000 2.118 635 I HA -0.297 3.873 4.170 -0.001 0.000 0.241 635 I C 2.226 178.398 176.117 0.093 0.000 1.070 635 I CA 1.225 62.548 61.300 0.038 0.000 1.327 635 I CB -0.478 37.590 38.000 0.114 0.000 1.034 635 I HN 0.305 nan 8.210 nan 0.000 0.405 636 F N 1.679 121.639 119.950 0.017 0.000 2.095 636 F HA -0.268 4.258 4.527 -0.001 0.000 0.298 636 F C 2.617 178.426 175.800 0.016 0.000 1.104 636 F CA 1.806 59.831 58.000 0.042 0.000 1.232 636 F CB -0.862 38.203 39.000 0.108 0.000 0.987 636 F HN 0.143 nan 8.300 nan 0.000 0.475 637 H N -0.204 118.626 119.070 -0.400 0.000 2.326 637 H HA -0.115 4.440 4.556 -0.001 0.000 0.301 637 H C 2.426 177.483 175.328 -0.451 0.000 1.081 637 H CA 1.477 57.203 56.048 -0.537 0.000 1.334 637 H CB -0.400 29.137 29.762 -0.376 0.000 1.385 637 H HN 0.278 nan 8.280 nan 0.000 0.504 638 L N 0.354 121.449 121.223 -0.214 0.000 2.189 638 L HA -0.201 4.138 4.340 -0.001 0.000 0.214 638 L C 2.536 179.313 176.870 -0.155 0.000 1.097 638 L CA 0.932 55.660 54.840 -0.186 0.000 0.764 638 L CB -0.521 41.454 42.059 -0.139 0.000 0.900 638 L HN 0.269 nan 8.230 nan 0.000 0.436 639 T N -0.689 113.748 114.554 -0.195 0.000 2.802 639 T HA -0.225 4.124 4.350 -0.001 0.000 0.269 639 T C 1.727 176.283 174.700 -0.239 0.000 1.062 639 T CA 1.411 63.397 62.100 -0.190 0.000 1.133 639 T CB -0.128 68.624 68.868 -0.193 0.000 0.852 639 T HN 0.214 nan 8.240 nan 0.000 0.485 640 R N -0.110 120.139 120.500 -0.418 0.000 2.362 640 R HA 0.408 4.747 4.340 -0.001 0.000 0.227 640 R C 1.792 178.047 176.300 -0.075 0.000 0.905 640 R CA -0.030 55.766 56.100 -0.506 0.000 1.067 640 R CB -0.157 29.535 30.300 -1.015 0.000 1.078 640 R HN 0.314 nan 8.270 nan 0.000 0.516 641 L N -0.467 120.728 121.223 -0.047 0.000 2.313 641 L HA 0.093 4.433 4.340 -0.001 0.000 0.214 641 L C 0.028 176.949 176.870 0.084 0.000 1.119 641 L CA 0.277 55.109 54.840 -0.013 0.000 0.809 641 L CB 0.048 42.080 42.059 -0.045 0.000 0.933 641 L HN 0.214 nan 8.230 nan 0.000 0.449 642 Y N 3.005 123.337 120.300 0.054 0.000 2.713 642 Y HA 0.027 4.576 4.550 -0.002 0.000 0.341 642 Y C -1.335 174.613 175.900 0.080 0.000 1.167 642 Y CA -1.897 56.260 58.100 0.095 0.000 1.503 642 Y CB 0.559 39.104 38.460 0.142 0.000 1.199 642 Y HN 0.039 nan 8.280 nan 0.000 0.525 643 P HA -0.029 nan 4.420 nan 0.000 0.227 643 P C 0.575 177.689 177.300 -0.311 0.000 1.161 643 P CA 1.367 64.297 63.100 -0.284 0.000 0.788 643 P CB 0.270 31.805 31.700 -0.274 0.000 0.822 644 A N -0.591 121.887 122.820 -0.570 0.000 2.275 644 A HA 0.154 4.473 4.320 -0.001 0.000 0.212 644 A C 2.281 179.917 177.584 0.088 0.000 1.201 644 A CA 0.643 52.552 52.037 -0.212 0.000 0.843 644 A CB -0.790 18.091 19.000 -0.198 0.000 0.873 644 A HN 0.172 nan 8.150 nan 0.000 0.492 645 S N -1.802 114.015 115.700 0.196 0.000 2.470 645 S HA 0.326 4.796 4.470 -0.001 0.000 0.222 645 S C 1.763 176.406 174.600 0.071 0.000 1.024 645 S CA 1.439 59.776 58.200 0.228 0.000 0.931 645 S CB -0.175 63.200 63.200 0.292 0.000 0.791 645 S HN 1.439 nan 8.310 nan 0.000 0.513 646 G N 0.899 109.649 108.800 -0.084 0.000 3.718 646 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.224 646 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.224 646 G C 0.574 175.092 174.900 -0.637 0.000 1.328 646 G CA 0.993 45.893 45.100 -0.334 0.000 0.974 646 G HN 0.617 nan 8.290 nan 0.000 0.579 647 F N 2.209 122.072 119.950 -0.145 0.000 2.724 647 F HA 0.751 5.277 4.527 -0.001 0.000 0.310 647 F C 0.796 176.442 175.800 -0.257 0.000 1.107 647 F CA 0.363 58.261 58.000 -0.171 0.000 1.218 647 F CB 1.223 40.167 39.000 -0.093 0.000 1.042 647 F HN 0.723 nan 8.300 nan 0.000 0.540 648 A N -0.122 122.561 122.820 -0.229 0.000 2.594 648 A HA 0.633 4.952 4.320 -0.001 0.000 0.296 648 A C -1.508 175.869 177.584 -0.344 0.000 1.056 648 A CA -0.616 51.257 52.037 -0.273 0.000 0.693 648 A CB 0.474 19.434 19.000 -0.066 0.000 1.278 648 A HN 0.056 nan 8.150 nan 0.000 0.408 649 F N 1.346 121.302 119.950 0.011 0.000 2.399 649 F HA 0.596 5.122 4.527 -0.001 0.000 0.328 649 F C -1.851 173.890 175.800 -0.098 0.000 1.084 649 F CA -1.762 56.221 58.000 -0.029 0.000 1.053 649 F CB 1.146 40.121 39.000 -0.043 0.000 1.209 649 F HN 0.293 nan 8.300 nan 0.000 0.502 650 P HA 0.202 nan 4.420 nan 0.000 0.275 650 P C 0.408 177.619 177.300 -0.147 0.000 1.227 650 P CA -0.513 62.398 63.100 -0.316 0.000 0.781 650 P CB 0.838 31.956 31.700 -0.970 0.000 0.906 651 R N 1.383 121.816 120.500 -0.112 0.000 2.211 651 R HA -0.082 4.257 4.340 -0.001 0.000 0.240 651 R C -0.002 176.277 176.300 -0.035 0.000 1.144 651 R CA 1.075 57.156 56.100 -0.032 0.000 0.992 651 R CB -0.330 29.960 30.300 -0.016 0.000 0.869 651 R HN 0.387 nan 8.270 nan 0.000 0.462 652 L N 1.003 122.162 121.223 -0.107 0.000 2.334 652 L HA 0.437 4.776 4.340 -0.001 0.000 0.273 652 L C -2.183 174.657 176.870 -0.050 0.000 1.013 652 L CA -2.750 52.060 54.840 -0.050 0.000 0.816 652 L CB 1.558 43.611 42.059 -0.009 0.000 1.278 652 L HN -0.093 nan 8.230 nan 0.000 0.431 653 P HA -0.115 nan 4.420 nan 0.000 0.263 653 P C 0.246 177.567 177.300 0.035 0.000 1.168 653 P CA 0.243 63.342 63.100 -0.002 0.000 0.759 653 P CB 0.571 32.277 31.700 0.010 0.000 0.782 654 A N 5.903 128.757 122.820 0.056 0.000 1.917 654 A HA -0.164 4.155 4.320 -0.001 0.000 0.219 654 A C -0.423 177.264 177.584 0.171 0.000 1.182 654 A CA 1.967 54.109 52.037 0.174 0.000 0.633 654 A CB -2.426 16.680 19.000 0.178 0.000 0.819 654 A HN 0.467 nan 8.150 nan 0.000 0.448 655 P HA -0.100 nan 4.420 nan 0.000 0.218 655 P C 1.370 178.704 177.300 0.057 0.000 1.149 655 P CA 0.832 63.972 63.100 0.067 0.000 0.817 655 P CB -0.069 31.645 31.700 0.023 0.000 0.785 656 L N -2.563 118.699 121.223 0.066 0.000 2.209 656 L HA -0.071 4.268 4.340 -0.001 0.000 0.207 656 L C 2.557 179.468 176.870 0.068 0.000 1.094 656 L CA 0.885 55.758 54.840 0.056 0.000 0.790 656 L CB -0.776 41.318 42.059 0.059 0.000 0.932 656 L HN 0.018 nan 8.230 nan 0.000 0.447 657 H N 0.473 119.524 119.070 -0.031 0.000 2.353 657 H HA -0.136 4.419 4.556 -0.001 0.000 0.300 657 H C 2.145 177.461 175.328 -0.020 0.000 1.090 657 H CA 1.682 57.677 56.048 -0.088 0.000 1.327 657 H CB 0.011 29.638 29.762 -0.225 0.000 1.383 657 H HN 0.119 nan 8.280 nan 0.000 0.508 658 L N -0.619 120.687 121.223 0.139 0.000 1.994 658 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 658 L C 2.803 179.541 176.870 -0.220 0.000 1.071 658 L CA 1.160 56.093 54.840 0.156 0.000 0.745 658 L CB -0.709 41.538 42.059 0.314 0.000 0.892 658 L HN 0.371 nan 8.230 nan 0.000 0.431 659 A N -0.086 122.639 122.820 -0.159 0.000 1.978 659 A HA -0.304 4.015 4.320 -0.001 0.000 0.220 659 A C 1.919 179.348 177.584 -0.257 0.000 1.170 659 A CA 2.179 54.076 52.037 -0.233 0.000 0.636 659 A CB -0.694 18.238 19.000 -0.113 0.000 0.810 659 A HN 0.537 nan 8.150 nan 0.000 0.448 660 D N -0.873 119.413 120.400 -0.191 0.000 2.097 660 D HA -0.176 4.463 4.640 -0.001 0.000 0.195 660 D C 2.127 178.284 176.300 -0.237 0.000 0.989 660 D CA 1.243 55.144 54.000 -0.164 0.000 0.827 660 D CB -0.040 40.689 40.800 -0.117 0.000 0.966 660 D HN 0.165 nan 8.370 nan 0.000 0.456 661 R N -0.002 120.308 120.500 -0.318 0.000 2.083 661 R HA -0.108 4.231 4.340 -0.001 0.000 0.237 661 R C 2.414 178.400 176.300 -0.523 0.000 1.137 661 R CA 0.818 56.742 56.100 -0.294 0.000 0.951 661 R CB -1.476 28.776 30.300 -0.081 0.000 0.851 661 R HN 0.368 nan 8.270 nan 0.000 0.434 662 L N 0.555 121.128 121.223 -1.083 0.000 2.046 662 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 662 L C 2.144 178.699 176.870 -0.525 0.000 1.077 662 L CA 1.486 55.567 54.840 -1.265 0.000 0.747 662 L CB -0.392 40.850 42.059 -1.361 0.000 0.896 662 L HN -0.111 nan 8.230 nan 0.000 0.432 663 V N -0.326 119.381 119.914 -0.345 0.000 2.453 663 V HA -0.239 3.880 4.120 -0.001 0.000 0.247 663 V C 2.572 178.613 176.094 -0.088 0.000 1.048 663 V CA 1.893 64.104 62.300 -0.148 0.000 1.049 663 V CB -0.519 31.272 31.823 -0.054 0.000 0.672 663 V HN 0.477 nan 8.190 nan 0.000 0.457 664 K N -0.571 119.768 120.400 -0.102 0.000 2.025 664 K HA -0.145 4.174 4.320 -0.001 0.000 0.207 664 K C 2.239 178.836 176.600 -0.004 0.000 1.049 664 K CA 1.221 57.488 56.287 -0.034 0.000 0.933 664 K CB -0.168 32.320 32.500 -0.019 0.000 0.714 664 K HN 0.332 nan 8.250 nan 0.000 0.438 665 E N 0.714 120.901 120.200 -0.022 0.000 2.077 665 E HA -0.137 4.212 4.350 -0.001 0.000 0.193 665 E C 2.078 178.699 176.600 0.035 0.000 0.989 665 E CA 0.916 57.356 56.400 0.068 0.000 0.800 665 E CB -0.141 29.655 29.700 0.161 0.000 0.746 665 E HN 0.026 nan 8.360 nan 0.000 0.452 666 V N 0.466 120.330 119.914 -0.082 0.000 2.720 666 V HA -0.170 3.950 4.120 -0.001 0.000 0.256 666 V C 2.141 178.104 176.094 -0.218 0.000 1.082 666 V CA 1.789 63.943 62.300 -0.244 0.000 1.101 666 V CB -0.501 30.997 31.823 -0.542 0.000 0.693 666 V HN 0.304 nan 8.190 nan 0.000 0.479 667 G N -0.927 107.857 108.800 -0.028 0.000 2.595 667 G HA2 -0.115 3.844 3.960 -0.001 0.000 0.213 667 G HA3 -0.115 3.844 3.960 -0.001 0.000 0.213 667 G C 1.669 176.628 174.900 0.098 0.000 1.141 667 G CA 0.096 45.282 45.100 0.143 0.000 0.806 667 G HN 0.365 nan 8.290 nan 0.000 0.530 668 R N -0.317 120.230 120.500 0.078 0.000 2.090 668 R HA 0.068 4.408 4.340 -0.001 0.000 0.228 668 R C 1.352 177.723 176.300 0.117 0.000 1.110 668 R CA 1.206 57.367 56.100 0.102 0.000 0.973 668 R CB -0.065 30.344 30.300 0.182 0.000 0.869 668 R HN 0.462 nan 8.270 nan 0.000 0.440 669 L N -4.489 116.800 121.223 0.109 0.000 3.573 669 L HA 0.558 4.897 4.340 -0.001 0.000 0.335 669 L C 0.040 177.024 176.870 0.190 0.000 1.321 669 L CA 0.076 54.986 54.840 0.116 0.000 1.009 669 L CB 0.725 42.806 42.059 0.038 0.000 1.417 669 L HN 0.112 nan 8.230 nan 0.000 0.619 670 G N 0.266 109.160 108.800 0.156 0.000 2.755 670 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.686 670 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.686 670 G C 0.240 175.175 174.900 0.058 0.000 1.427 670 G CA 0.002 45.196 45.100 0.156 0.000 0.873 670 G HN 0.349 nan 8.290 nan 0.000 0.580 671 I N 0.899 121.468 120.570 -0.002 0.000 3.030 671 I HA 0.018 4.187 4.170 -0.001 0.000 0.270 671 I C 2.807 178.891 176.117 -0.055 0.000 1.211 671 I CA 1.009 62.279 61.300 -0.050 0.000 1.479 671 I CB -0.223 37.777 38.000 -0.001 0.000 1.105 671 I HN 0.736 nan 8.210 nan 0.000 0.447 672 R N 0.036 120.451 120.500 -0.142 0.000 2.170 672 R HA -0.223 4.117 4.340 -0.001 0.000 0.242 672 R C 1.509 177.631 176.300 -0.297 0.000 1.145 672 R CA 1.639 57.588 56.100 -0.251 0.000 0.984 672 R CB -1.039 29.053 30.300 -0.346 0.000 0.869 672 R HN 0.511 nan 8.270 nan 0.000 0.455 673 H N 0.800 119.842 119.070 -0.048 0.000 2.535 673 H HA 0.116 4.671 4.556 -0.001 0.000 0.273 673 H C 2.002 177.266 175.328 -0.107 0.000 0.983 673 H CA 0.780 56.781 56.048 -0.079 0.000 1.238 673 H CB 0.194 29.892 29.762 -0.106 0.000 1.412 673 H HN 0.255 nan 8.280 nan 0.000 0.562 674 L N 0.722 121.939 121.223 -0.010 0.000 2.478 674 L HA -0.022 4.317 4.340 -0.001 0.000 0.223 674 L C 2.457 179.379 176.870 0.088 0.000 1.140 674 L CA 0.379 55.209 54.840 -0.017 0.000 0.842 674 L CB -0.245 41.819 42.059 0.009 0.000 0.953 674 L HN 0.074 nan 8.230 nan 0.000 0.452 675 K N 1.296 121.727 120.400 0.053 0.000 2.173 675 K HA -0.229 4.090 4.320 -0.001 0.000 0.207 675 K C 1.225 177.857 176.600 0.053 0.000 1.046 675 K CA 1.571 57.892 56.287 0.055 0.000 0.929 675 K CB 0.155 32.668 32.500 0.022 0.000 0.720 675 K HN 0.120 nan 8.250 nan 0.000 0.453 676 E N -0.175 120.050 120.200 0.041 0.000 2.569 676 E HA 0.140 4.489 4.350 -0.001 0.000 0.205 676 E C -1.490 175.135 176.600 0.042 0.000 1.006 676 E CA -0.185 56.232 56.400 0.029 0.000 0.985 676 E CB 1.136 30.841 29.700 0.008 0.000 1.060 676 E HN -0.022 nan 8.360 nan 0.000 0.460 677 V N 1.367 121.340 119.914 0.098 0.000 2.483 677 V HA 0.242 4.361 4.120 -0.001 0.000 0.295 677 V C -0.217 176.000 176.094 0.205 0.000 1.035 677 V CA -1.127 61.269 62.300 0.160 0.000 0.896 677 V CB 1.811 33.747 31.823 0.189 0.000 0.986 677 V HN 0.067 nan 8.190 nan 0.000 0.447 678 D N 3.553 124.035 120.400 0.137 0.000 2.383 678 D HA 0.181 4.821 4.640 -0.001 0.000 0.252 678 D C 1.200 177.442 176.300 -0.097 0.000 1.166 678 D CA -0.119 53.883 54.000 0.004 0.000 0.879 678 D CB 1.002 41.796 40.800 -0.010 0.000 1.164 678 D HN 0.378 nan 8.370 nan 0.000 0.462 679 R N 1.711 121.911 120.500 -0.500 0.000 2.303 679 R HA -0.166 4.174 4.340 -0.001 0.000 0.225 679 R C 1.214 177.146 176.300 -0.613 0.000 1.114 679 R CA 0.826 56.236 56.100 -1.150 0.000 1.007 679 R CB 0.136 29.896 30.300 -0.901 0.000 0.861 679 R HN 0.502 nan 8.270 nan 0.000 0.471 680 E N 0.635 120.688 120.200 -0.246 0.000 2.447 680 E HA 0.017 4.366 4.350 -0.001 0.000 0.195 680 E C -0.337 176.255 176.600 -0.013 0.000 1.028 680 E CA 0.243 56.560 56.400 -0.138 0.000 0.876 680 E CB 0.436 30.037 29.700 -0.165 0.000 0.885 680 E HN 0.066 nan 8.360 nan 0.000 0.500 681 K N 1.218 121.692 120.400 0.125 0.000 2.264 681 K HA 0.236 4.555 4.320 -0.001 0.000 0.277 681 K C -0.457 176.292 176.600 0.249 0.000 1.067 681 K CA -0.221 56.166 56.287 0.167 0.000 0.900 681 K CB 0.988 33.599 32.500 0.185 0.000 1.124 681 K HN 0.077 nan 8.250 nan 0.000 0.469 682 L N 6.222 127.411 121.223 -0.057 0.000 2.416 682 L HA 0.052 4.391 4.340 -0.001 0.000 0.243 682 L C 1.051 177.447 176.870 -0.791 0.000 1.373 682 L CA -0.148 54.381 54.840 -0.519 0.000 1.227 682 L CB -0.917 40.850 42.059 -0.487 0.000 1.428 682 L HN 0.737 nan 8.230 nan 0.000 0.425 683 F N -0.088 119.518 119.950 -0.572 0.000 2.333 683 F HA -0.186 4.340 4.527 -0.002 0.000 0.300 683 F C 1.658 177.244 175.800 -0.356 0.000 1.083 683 F CA 0.521 58.305 58.000 -0.361 0.000 1.395 683 F CB -0.702 38.176 39.000 -0.203 0.000 1.056 683 F HN 0.235 nan 8.300 nan 0.000 0.529 684 F N 0.975 120.482 119.950 -0.738 0.000 2.765 684 F HA 0.395 4.921 4.527 -0.001 0.000 0.302 684 F C 0.734 176.406 175.800 -0.214 0.000 1.111 684 F CA -1.267 56.446 58.000 -0.479 0.000 1.359 684 F CB -1.815 36.724 39.000 -0.769 0.000 1.097 684 F HN -0.022 nan 8.300 nan 0.000 0.577 685 V N 0.000 119.756 119.914 -0.263 0.000 2.409 685 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 685 V CA 0.000 62.289 62.300 -0.018 0.000 1.235 685 V CB 0.000 31.745 31.823 -0.130 0.000 1.184 685 V HN 0.000 nan 8.190 nan 0.000 0.556