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 3hu2_1_C DATA FIRST_RESID 12 DATA SEQUENCE LSTAILKQKN RPNRLIVDEA INEDNSVVSL SQPKMDELQL FRGDTVLLKG DATA SEQUENCE KKRREAVCIV LSDDTCSDEK IRMNAVVRNN LRVRLGDVIS IQPCPDVKYG DATA SEQUENCE KRIHVLPIDD TVEGITGNLF EVYLKPYFLE AYRPIRKGDI FLVRGGMRAV DATA SEQUENCE EFKVVETDPS PYCIVAPDTV IHCEGEPIKR EDEEESLNEV GYDDIGGCRK DATA SEQUENCE QLAQIKEMVE LPLRHPALFK AIGVKPPRGI LLYGPPGTGK TLIARAVANE DATA SEQUENCE TGAFFFLING PEIMSKLAGE SESNLRKAFE EAEKNAPAII FIDELDAIAP DATA SEQUENCE KREKTHGEVE RRIVSQLLTL MDGLKQRAHV IVMAATNRPN SIDPALRRFG DATA SEQUENCE RFDREVDIGI PDATGRLEIL QIHTKNMKLA DDVDLEQVAN ETHGHVGADL DATA SEQUENCE AALCSEAALQ AIRKKMDLID LEDETIDAEV MNSLAVTMDD FRWALSQSNP DATA SEQUENCE SA 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 12 L HA 0.000 nan 4.340 nan 0.000 0.249 12 L C 0.000 176.870 176.870 0.001 0.000 1.165 12 L CA 0.000 54.840 54.840 -0.000 0.000 0.813 12 L CB 0.000 42.060 42.059 0.002 0.000 0.961 13 S N -1.528 114.174 115.700 0.002 0.000 2.506 13 S HA 0.054 4.524 4.470 0.000 0.000 0.219 13 S C 1.691 176.292 174.600 0.001 0.000 1.031 13 S CA 0.809 59.012 58.200 0.004 0.000 0.911 13 S CB -0.219 62.986 63.200 0.008 0.000 0.812 13 S HN 0.490 nan 8.310 nan 0.000 0.497 14 T N 1.988 116.541 114.554 -0.002 0.000 2.946 14 T HA 0.038 4.388 4.350 0.000 0.000 0.271 14 T C 1.864 176.559 174.700 -0.009 0.000 1.104 14 T CA 1.280 63.375 62.100 -0.008 0.000 1.114 14 T CB -0.960 67.903 68.868 -0.007 0.000 0.867 14 T HN 0.604 nan 8.240 nan 0.000 0.513 15 A N 1.231 124.047 122.820 -0.005 0.000 1.985 15 A HA -0.181 4.139 4.320 0.000 0.000 0.223 15 A C 2.191 179.771 177.584 -0.006 0.000 1.189 15 A CA 2.009 54.042 52.037 -0.006 0.000 0.658 15 A CB -0.999 17.997 19.000 -0.006 0.000 0.820 15 A HN 0.717 nan 8.150 nan 0.000 0.464 16 I N -0.950 119.617 120.570 -0.005 0.000 2.567 16 I HA -0.185 3.985 4.170 0.000 0.000 0.257 16 I C 1.755 177.866 176.117 -0.008 0.000 1.184 16 I CA 1.138 62.437 61.300 -0.003 0.000 1.451 16 I CB 0.002 38.005 38.000 0.005 0.000 1.089 16 I HN 0.366 nan 8.210 nan 0.000 0.441 17 L N 0.041 121.254 121.223 -0.017 0.000 2.446 17 L HA 0.057 4.397 4.340 0.000 0.000 0.219 17 L C 1.197 178.061 176.870 -0.009 0.000 1.116 17 L CA 0.040 54.867 54.840 -0.023 0.000 0.844 17 L CB -0.417 41.620 42.059 -0.036 0.000 0.970 17 L HN 0.030 nan 8.230 nan 0.000 0.457 18 K N 1.039 121.436 120.400 -0.005 0.000 2.448 18 K HA -0.045 4.275 4.320 0.000 0.000 0.278 18 K C 0.992 177.594 176.600 0.003 0.000 1.009 18 K CA 0.020 56.306 56.287 -0.001 0.000 0.995 18 K CB 0.768 33.267 32.500 -0.002 0.000 0.917 18 K HN 0.142 nan 8.250 nan 0.000 0.481 19 Q N 2.205 122.008 119.800 0.005 0.000 2.112 19 Q HA -0.208 4.132 4.340 0.000 0.000 0.206 19 Q C -0.337 175.669 176.000 0.009 0.000 0.987 19 Q CA 1.423 57.231 55.803 0.009 0.000 0.858 19 Q CB -0.118 28.625 28.738 0.008 0.000 0.905 19 Q HN 0.511 nan 8.270 nan 0.000 0.420 20 K N 1.546 121.949 120.400 0.005 0.000 6.691 20 K HA -0.107 4.213 4.320 0.000 0.000 0.741 20 K C -1.272 175.331 176.600 0.004 0.000 2.096 20 K CA 0.160 56.450 56.287 0.004 0.000 1.671 20 K CB -0.661 31.842 32.500 0.004 0.000 1.891 20 K HN 0.233 nan 8.250 nan 0.000 0.314 21 N N 3.360 122.062 118.700 0.002 0.000 2.468 21 N HA 0.147 4.887 4.740 0.000 0.000 0.265 21 N C -0.150 175.360 175.510 0.001 0.000 1.199 21 N CA 0.234 53.285 53.050 0.002 0.000 0.928 21 N CB 0.597 39.085 38.487 0.000 0.000 1.059 21 N HN 0.324 nan 8.380 nan 0.000 0.467 22 R N 2.261 122.762 120.500 0.001 0.000 2.725 22 R HA 0.333 4.673 4.340 0.000 0.000 0.277 22 R C -1.501 174.798 176.300 -0.002 0.000 0.987 22 R CA -1.382 54.718 56.100 0.000 0.000 0.901 22 R CB 1.643 31.944 30.300 0.003 0.000 1.207 22 R HN 0.242 nan 8.270 nan 0.000 0.463 23 P HA -0.295 nan 4.420 nan 0.000 0.222 23 P C 0.270 177.564 177.300 -0.009 0.000 1.155 23 P CA 1.674 64.769 63.100 -0.008 0.000 0.890 23 P CB 0.131 31.824 31.700 -0.011 0.000 0.790 24 N N -1.738 116.957 118.700 -0.008 0.000 2.299 24 N HA -0.040 4.700 4.740 0.000 0.000 0.187 24 N C 0.696 176.203 175.510 -0.005 0.000 1.099 24 N CA -0.019 53.026 53.050 -0.010 0.000 0.867 24 N CB -0.066 38.414 38.487 -0.013 0.000 0.974 24 N HN 0.070 nan 8.380 nan 0.000 0.477 25 R N 1.045 121.545 120.500 -0.000 0.000 2.248 25 R HA 0.359 4.699 4.340 0.000 0.000 0.337 25 R C -0.884 175.417 176.300 0.002 0.000 1.085 25 R CA -0.056 56.046 56.100 0.003 0.000 0.934 25 R CB 0.252 30.555 30.300 0.006 0.000 1.034 25 R HN 0.155 nan 8.270 nan 0.000 0.465 26 L N 5.044 126.268 121.223 0.002 0.000 2.381 26 L HA 0.486 4.826 4.340 0.000 0.000 0.268 26 L C -0.160 176.712 176.870 0.003 0.000 0.997 26 L CA -0.877 53.964 54.840 0.001 0.000 0.818 26 L CB 2.217 44.276 42.059 -0.001 0.000 1.310 26 L HN 0.480 nan 8.230 nan 0.000 0.416 27 I N 2.757 123.329 120.570 0.003 0.000 2.556 27 I HA 0.071 4.241 4.170 0.000 0.000 0.284 27 I C 0.233 176.353 176.117 0.005 0.000 1.114 27 I CA -0.508 60.794 61.300 0.004 0.000 1.418 27 I CB 1.288 39.290 38.000 0.004 0.000 1.394 27 I HN 0.336 nan 8.210 nan 0.000 0.552 28 V N 3.120 123.038 119.914 0.006 0.000 2.415 28 V HA 0.285 4.405 4.120 0.000 0.000 0.267 28 V C -0.147 175.951 176.094 0.006 0.000 1.042 28 V CA -0.375 61.929 62.300 0.006 0.000 1.000 28 V CB 0.832 32.659 31.823 0.007 0.000 1.015 28 V HN 0.579 nan 8.190 nan 0.000 0.478 29 D N 3.068 123.472 120.400 0.006 0.000 2.268 29 D HA 0.328 4.968 4.640 0.000 0.000 0.249 29 D C -0.117 176.187 176.300 0.008 0.000 1.008 29 D CA -0.550 53.454 54.000 0.007 0.000 0.939 29 D CB 2.158 42.961 40.800 0.006 0.000 1.170 29 D HN 0.876 nan 8.370 nan 0.000 0.468 30 E N 0.334 120.539 120.200 0.008 0.000 2.413 30 E HA 0.379 4.729 4.350 0.000 0.000 0.263 30 E C -1.038 175.568 176.600 0.011 0.000 1.015 30 E CA -0.344 56.062 56.400 0.010 0.000 0.916 30 E CB 0.710 30.415 29.700 0.009 0.000 0.947 30 E HN 0.352 nan 8.360 nan 0.000 0.440 31 A N 4.375 127.202 122.820 0.013 0.000 2.354 31 A HA 0.366 4.686 4.320 0.000 0.000 0.269 31 A C 1.034 178.625 177.584 0.013 0.000 1.109 31 A CA -0.098 51.947 52.037 0.013 0.000 0.800 31 A CB 0.003 19.014 19.000 0.017 0.000 1.045 31 A HN 0.814 nan 8.150 nan 0.000 0.489 32 I N -0.220 120.357 120.570 0.011 0.000 2.867 32 I HA 0.135 4.305 4.170 0.000 0.000 0.265 32 I C 0.639 176.762 176.117 0.011 0.000 1.162 32 I CA 0.246 61.552 61.300 0.010 0.000 1.471 32 I CB -0.036 37.969 38.000 0.008 0.000 1.123 32 I HN 0.472 nan 8.210 nan 0.000 0.440 33 N N 2.564 121.270 118.700 0.011 0.000 2.439 33 N HA 0.021 4.761 4.740 0.000 0.000 0.243 33 N C 0.343 175.863 175.510 0.016 0.000 1.088 33 N CA 0.239 53.296 53.050 0.011 0.000 0.940 33 N CB 0.987 39.479 38.487 0.008 0.000 1.180 33 N HN 0.245 nan 8.380 nan 0.000 0.505 34 E N 1.265 121.476 120.200 0.019 0.000 2.511 34 E HA -0.037 4.313 4.350 0.000 0.000 0.196 34 E C -0.523 176.100 176.600 0.039 0.000 1.066 34 E CA 0.090 56.507 56.400 0.028 0.000 0.871 34 E CB -0.053 29.664 29.700 0.028 0.000 0.863 34 E HN 0.564 nan 8.360 nan 0.000 0.520 35 D N -0.550 119.868 120.400 0.029 0.000 2.389 35 D HA 0.010 4.651 4.640 0.000 0.000 0.247 35 D C 0.815 177.142 176.300 0.045 0.000 1.128 35 D CA -0.009 54.009 54.000 0.030 0.000 0.884 35 D CB 0.696 41.490 40.800 -0.010 0.000 1.194 35 D HN -0.106 nan 8.370 nan 0.000 0.441 36 N N 1.492 120.245 118.700 0.088 0.000 2.205 36 N HA -0.134 4.606 4.740 0.000 0.000 0.186 36 N C 1.132 176.680 175.510 0.062 0.000 1.015 36 N CA 0.682 53.801 53.050 0.115 0.000 0.862 36 N CB -0.098 38.530 38.487 0.235 0.000 0.986 36 N HN 0.237 nan 8.380 nan 0.000 0.429 37 S N -0.240 115.464 115.700 0.007 0.000 2.603 37 S HA 0.113 4.583 4.470 0.000 0.000 0.220 37 S C 0.420 175.018 174.600 -0.005 0.000 0.967 37 S CA -0.204 57.989 58.200 -0.012 0.000 0.920 37 S CB 0.300 63.465 63.200 -0.058 0.000 0.773 37 S HN 0.086 nan 8.310 nan 0.000 0.529 38 V N 2.348 122.264 119.914 0.003 0.000 2.540 38 V HA 0.684 4.804 4.120 0.000 0.000 0.302 38 V C -0.774 175.324 176.094 0.007 0.000 1.035 38 V CA -0.693 61.608 62.300 0.002 0.000 0.873 38 V CB 1.798 33.620 31.823 -0.001 0.000 0.992 38 V HN 0.104 nan 8.190 nan 0.000 0.428 39 V N 3.697 123.613 119.914 0.003 0.000 2.815 39 V HA 0.855 4.975 4.120 0.000 0.000 0.314 39 V C -0.183 175.912 176.094 0.003 0.000 1.064 39 V CA -0.423 61.879 62.300 0.003 0.000 0.952 39 V CB 1.934 33.756 31.823 -0.002 0.000 1.020 39 V HN 0.822 nan 8.190 nan 0.000 0.439 40 S N 4.083 119.785 115.700 0.004 0.000 2.473 40 S HA 0.842 5.313 4.470 0.000 0.000 0.307 40 S C -0.614 173.988 174.600 0.004 0.000 1.094 40 S CA -0.586 57.617 58.200 0.005 0.000 1.070 40 S CB 1.250 64.454 63.200 0.007 0.000 1.019 40 S HN 0.714 nan 8.310 nan 0.000 0.480 41 L N 1.878 123.104 121.223 0.004 0.000 2.354 41 L HA 0.591 4.931 4.340 0.000 0.000 0.264 41 L C 0.536 177.410 176.870 0.007 0.000 1.008 41 L CA -0.965 53.877 54.840 0.003 0.000 0.819 41 L CB 2.095 44.154 42.059 -0.001 0.000 1.339 41 L HN 0.754 nan 8.230 nan 0.000 0.420 42 S N 0.153 115.856 115.700 0.006 0.000 2.573 42 S HA -0.027 4.443 4.470 0.000 0.000 0.277 42 S C 0.673 175.279 174.600 0.012 0.000 1.346 42 S CA -0.133 58.071 58.200 0.008 0.000 1.034 42 S CB 1.346 64.550 63.200 0.006 0.000 0.879 42 S HN 0.700 nan 8.310 nan 0.000 0.528 43 Q N 2.120 121.929 119.800 0.015 0.000 2.084 43 Q HA 0.041 4.381 4.340 0.000 0.000 0.202 43 Q C -0.954 175.059 176.000 0.021 0.000 0.978 43 Q CA 2.029 57.844 55.803 0.021 0.000 0.844 43 Q CB -1.625 27.126 28.738 0.022 0.000 0.898 43 Q HN 0.721 nan 8.270 nan 0.000 0.426 44 P HA -0.073 nan 4.420 nan 0.000 0.226 44 P C 0.484 177.789 177.300 0.008 0.000 1.153 44 P CA 1.134 64.242 63.100 0.013 0.000 0.777 44 P CB 0.106 31.812 31.700 0.010 0.000 0.794 45 K N -0.323 120.081 120.400 0.005 0.000 2.137 45 K HA 0.111 4.431 4.320 0.000 0.000 0.202 45 K C 1.945 178.540 176.600 -0.007 0.000 1.052 45 K CA 1.201 57.487 56.287 -0.002 0.000 0.961 45 K CB -0.864 31.635 32.500 -0.002 0.000 0.741 45 K HN 0.007 nan 8.250 nan 0.000 0.452 46 M N 0.283 119.883 119.600 0.000 0.000 2.175 46 M HA -0.140 4.340 4.480 0.000 0.000 0.264 46 M C 1.146 177.441 176.300 -0.009 0.000 1.063 46 M CA 1.848 57.145 55.300 -0.004 0.000 1.119 46 M CB -0.287 32.325 32.600 0.020 0.000 1.377 46 M HN 0.117 nan 8.290 nan 0.000 0.415 47 D N 0.188 120.597 120.400 0.016 0.000 2.117 47 D HA -0.181 4.459 4.640 0.000 0.000 0.197 47 D C 1.946 178.243 176.300 -0.005 0.000 0.987 47 D CA 1.129 55.144 54.000 0.026 0.000 0.829 47 D CB -0.018 40.805 40.800 0.038 0.000 0.961 47 D HN 0.341 nan 8.370 nan 0.000 0.460 48 E N -0.039 120.155 120.200 -0.011 0.000 2.077 48 E HA -0.121 4.229 4.350 0.000 0.000 0.193 48 E C 1.661 178.240 176.600 -0.036 0.000 0.989 48 E CA 0.647 57.037 56.400 -0.017 0.000 0.800 48 E CB 0.039 29.732 29.700 -0.012 0.000 0.746 48 E HN 0.297 nan 8.360 nan 0.000 0.452 49 L N 0.455 121.647 121.223 -0.051 0.000 2.591 49 L HA 0.054 4.394 4.340 0.000 0.000 0.228 49 L C 0.318 177.113 176.870 -0.124 0.000 1.133 49 L CA 0.130 54.927 54.840 -0.072 0.000 0.880 49 L CB 0.038 42.060 42.059 -0.062 0.000 1.033 49 L HN 0.115 nan 8.230 nan 0.000 0.450 50 Q N 0.844 120.552 119.800 -0.153 0.000 2.452 50 Q HA -0.187 4.153 4.340 0.000 0.000 0.318 50 Q C -0.803 174.907 176.000 -0.483 0.000 1.386 50 Q CA 0.449 56.070 55.803 -0.302 0.000 0.872 50 Q CB -1.388 27.193 28.738 -0.261 0.000 1.151 50 Q HN 0.447 nan 8.270 nan 0.000 0.417 51 L N 1.123 122.135 121.223 -0.351 0.000 2.316 51 L HA 0.514 4.854 4.340 0.000 0.000 0.280 51 L C 0.200 176.963 176.870 -0.178 0.000 1.006 51 L CA -0.517 54.147 54.840 -0.293 0.000 0.836 51 L CB 0.679 42.658 42.059 -0.132 0.000 1.221 51 L HN 0.093 nan 8.230 nan 0.000 0.418 52 F N 1.321 121.264 119.950 -0.012 0.000 2.375 52 F HA 0.381 4.908 4.527 0.000 0.000 0.313 52 F C 1.155 176.947 175.800 -0.013 0.000 1.176 52 F CA -0.882 57.111 58.000 -0.012 0.000 1.142 52 F CB 0.538 39.530 39.000 -0.012 0.000 1.275 52 F HN 0.418 nan 8.300 nan 0.000 0.544 53 R N 0.419 121.045 120.500 0.210 0.000 2.570 53 R HA 0.233 4.574 4.340 0.000 0.000 0.277 53 R C 0.939 177.287 176.300 0.080 0.000 1.039 53 R CA 1.144 57.304 56.100 0.100 0.000 1.065 53 R CB 0.035 30.373 30.300 0.064 0.000 0.964 53 R HN 0.945 nan 8.270 nan 0.000 0.428 54 G N 2.799 111.627 108.800 0.047 0.000 2.199 54 G HA2 -0.241 3.719 3.960 0.000 0.000 0.254 54 G HA3 -0.241 3.719 3.960 0.000 0.000 0.254 54 G C -0.234 174.681 174.900 0.024 0.000 0.982 54 G CA 0.223 45.341 45.100 0.029 0.000 0.632 54 G HN 0.663 nan 8.290 nan 0.000 0.529 55 D N 2.091 122.510 120.400 0.033 0.000 2.424 55 D HA 0.399 5.039 4.640 0.000 0.000 0.244 55 D C 1.181 177.473 176.300 -0.013 0.000 1.134 55 D CA 1.107 55.114 54.000 0.011 0.000 0.881 55 D CB 0.957 41.759 40.800 0.003 0.000 1.191 55 D HN 0.446 nan 8.370 nan 0.000 0.445 56 T N -0.990 113.549 114.554 -0.025 0.000 2.814 56 T HA 0.405 4.755 4.350 0.000 0.000 0.297 56 T C 0.440 175.103 174.700 -0.062 0.000 0.956 56 T CA -0.887 61.188 62.100 -0.042 0.000 1.123 56 T CB 0.648 69.489 68.868 -0.045 0.000 0.902 56 T HN 0.190 nan 8.240 nan 0.000 0.528 57 V N 1.416 121.286 119.914 -0.073 0.000 2.864 57 V HA 0.798 4.918 4.120 0.000 0.000 0.314 57 V C -0.548 175.471 176.094 -0.125 0.000 1.073 57 V CA -1.502 60.746 62.300 -0.086 0.000 0.956 57 V CB 1.631 33.417 31.823 -0.063 0.000 1.023 57 V HN 0.819 nan 8.190 nan 0.000 0.435 58 L N 4.075 125.219 121.223 -0.132 0.000 2.272 58 L HA 0.648 4.988 4.340 0.000 0.000 0.289 58 L C -0.649 176.164 176.870 -0.094 0.000 1.032 58 L CA -0.122 54.619 54.840 -0.164 0.000 0.810 58 L CB 0.727 42.680 42.059 -0.178 0.000 1.205 58 L HN 0.733 nan 8.230 nan 0.000 0.422 59 L N 5.437 126.610 121.223 -0.084 0.000 2.317 59 L HA 0.534 4.874 4.340 0.000 0.000 0.281 59 L C -0.177 176.677 176.870 -0.027 0.000 1.024 59 L CA -0.637 54.177 54.840 -0.043 0.000 0.810 59 L CB 1.331 43.371 42.059 -0.031 0.000 1.240 59 L HN 0.532 nan 8.230 nan 0.000 0.427 60 K N 1.969 122.363 120.400 -0.010 0.000 2.449 60 K HA 0.470 4.790 4.320 0.000 0.000 0.257 60 K C 0.195 176.801 176.600 0.010 0.000 0.989 60 K CA -0.345 55.944 56.287 0.005 0.000 0.916 60 K CB 1.986 34.493 32.500 0.012 0.000 1.136 60 K HN 0.767 nan 8.250 nan 0.000 0.439 61 G N 2.299 111.106 108.800 0.011 0.000 2.829 61 G HA2 0.253 4.213 3.960 0.000 0.000 0.173 61 G HA3 0.253 4.213 3.960 0.000 0.000 0.173 61 G C -0.515 174.393 174.900 0.014 0.000 1.476 61 G CA -0.393 44.714 45.100 0.012 0.000 1.072 61 G HN 0.358 nan 8.290 nan 0.000 0.577 62 K N -0.135 120.270 120.400 0.007 0.000 2.095 62 K HA 0.394 4.714 4.320 0.000 0.000 0.252 62 K C -0.551 176.038 176.600 -0.018 0.000 0.977 62 K CA -0.495 55.794 56.287 0.003 0.000 0.900 62 K CB 1.220 33.721 32.500 0.001 0.000 1.060 62 K HN 0.366 nan 8.250 nan 0.000 0.449 63 K N 1.401 121.776 120.400 -0.041 0.000 3.419 63 K HA -0.286 4.034 4.320 0.000 0.000 0.272 63 K C 0.077 176.637 176.600 -0.066 0.000 0.973 63 K CA 0.897 57.129 56.287 -0.091 0.000 0.749 63 K CB -1.047 31.390 32.500 -0.106 0.000 1.403 63 K HN 0.846 nan 8.250 nan 0.000 0.456 64 R N -1.249 119.227 120.500 -0.039 0.000 3.902 64 R HA -0.232 4.108 4.340 0.000 0.000 0.445 64 R C -0.419 175.885 176.300 0.007 0.000 0.709 64 R CA 2.007 58.098 56.100 -0.014 0.000 1.607 64 R CB -0.537 29.745 30.300 -0.030 0.000 2.233 64 R HN 0.391 nan 8.270 nan 0.000 0.430 65 R N 1.972 122.472 120.500 0.001 0.000 2.623 65 R HA 0.168 4.508 4.340 0.000 0.000 0.271 65 R C -0.163 176.151 176.300 0.023 0.000 1.043 65 R CA 0.629 56.738 56.100 0.014 0.000 1.083 65 R CB 0.421 30.725 30.300 0.007 0.000 0.974 65 R HN 0.418 nan 8.270 nan 0.000 0.436 66 E N -0.205 120.016 120.200 0.034 0.000 2.369 66 E HA 0.710 5.060 4.350 0.000 0.000 0.270 66 E C -1.234 175.378 176.600 0.021 0.000 0.909 66 E CA -0.962 55.452 56.400 0.024 0.000 0.775 66 E CB 2.506 32.230 29.700 0.040 0.000 1.270 66 E HN 0.644 nan 8.360 nan 0.000 0.445 67 A N 0.757 123.569 122.820 -0.014 0.000 2.549 67 A HA 0.595 4.915 4.320 0.000 0.000 0.297 67 A C -1.129 176.404 177.584 -0.085 0.000 1.061 67 A CA -0.752 51.276 52.037 -0.016 0.000 0.690 67 A CB 1.349 20.357 19.000 0.013 0.000 1.287 67 A HN 0.336 nan 8.150 nan 0.000 0.402 68 V N -1.107 118.750 119.914 -0.095 0.000 2.370 68 V HA 0.748 4.868 4.120 0.000 0.000 0.283 68 V C -0.171 175.885 176.094 -0.063 0.000 1.023 68 V CA -0.733 61.481 62.300 -0.144 0.000 0.857 68 V CB 0.022 31.695 31.823 -0.251 0.000 0.985 68 V HN 0.975 nan 8.190 nan 0.000 0.443 69 C N 4.524 123.788 119.300 -0.060 0.000 2.971 69 C HA 0.691 5.152 4.460 0.000 0.000 0.310 69 C C 0.011 174.985 174.990 -0.028 0.000 1.285 69 C CA -0.781 58.219 59.018 -0.029 0.000 1.593 69 C CB 1.974 29.703 27.740 -0.018 0.000 2.076 69 C HN 0.892 nan 8.230 nan 0.000 0.472 70 I N 1.598 122.160 120.570 -0.013 0.000 2.365 70 I HA 0.374 4.544 4.170 0.000 0.000 0.291 70 I C -0.038 176.076 176.117 -0.006 0.000 1.004 70 I CA -0.081 61.215 61.300 -0.007 0.000 1.311 70 I CB 1.034 39.036 38.000 0.002 0.000 1.401 70 I HN 0.301 nan 8.210 nan 0.000 0.491 71 V N 8.172 128.084 119.914 -0.004 0.000 2.407 71 V HA 0.507 4.627 4.120 0.000 0.000 0.278 71 V C -0.314 175.787 176.094 0.011 0.000 1.037 71 V CA -0.278 62.021 62.300 -0.001 0.000 0.900 71 V CB 1.109 32.926 31.823 -0.010 0.000 0.983 71 V HN 0.508 nan 8.190 nan 0.000 0.459 72 L N 5.661 126.891 121.223 0.011 0.000 2.341 72 L HA 0.621 4.961 4.340 0.000 0.000 0.267 72 L C 0.335 177.215 176.870 0.016 0.000 1.009 72 L CA -0.725 54.125 54.840 0.016 0.000 0.819 72 L CB 2.497 44.563 42.059 0.012 0.000 1.323 72 L HN 0.719 nan 8.230 nan 0.000 0.425 73 S N -0.379 115.333 115.700 0.020 0.000 2.572 73 S HA 0.323 4.793 4.470 0.000 0.000 0.279 73 S C -0.710 173.897 174.600 0.013 0.000 1.341 73 S CA -0.481 57.730 58.200 0.019 0.000 1.043 73 S CB 1.384 64.598 63.200 0.023 0.000 0.887 73 S HN 0.637 nan 8.310 nan 0.000 0.516 74 D N -0.060 120.346 120.400 0.011 0.000 2.964 74 D HA 0.359 4.999 4.640 0.000 0.000 0.234 74 D C -0.389 175.916 176.300 0.008 0.000 1.223 74 D CA -0.577 53.429 54.000 0.009 0.000 0.889 74 D CB 1.968 42.773 40.800 0.008 0.000 1.609 74 D HN 0.382 nan 8.370 nan 0.000 0.523 75 D N 0.838 121.243 120.400 0.007 0.000 2.120 75 D HA -0.077 4.563 4.640 0.000 0.000 0.202 75 D C 1.572 177.876 176.300 0.006 0.000 0.972 75 D CA 1.014 55.018 54.000 0.007 0.000 0.837 75 D CB -0.112 40.691 40.800 0.006 0.000 0.989 75 D HN 0.413 nan 8.370 nan 0.000 0.469 76 T N -0.459 114.098 114.554 0.006 0.000 3.113 76 T HA -0.048 4.302 4.350 0.000 0.000 0.263 76 T C 0.688 175.391 174.700 0.005 0.000 1.143 76 T CA 0.089 62.192 62.100 0.005 0.000 1.090 76 T CB -0.538 68.333 68.868 0.005 0.000 0.922 76 T HN 0.162 nan 8.240 nan 0.000 0.521 77 C N 2.337 121.640 119.300 0.006 0.000 2.452 77 C HA 0.679 5.140 4.460 0.000 0.000 0.379 77 C C 0.848 175.841 174.990 0.005 0.000 1.275 77 C CA -0.892 58.129 59.018 0.005 0.000 2.056 77 C CB -0.022 27.722 27.740 0.006 0.000 2.506 77 C HN 0.479 nan 8.230 nan 0.000 0.560 78 S N 4.111 119.813 115.700 0.004 0.000 2.600 78 S HA 0.091 4.562 4.470 0.000 0.000 0.265 78 S C 0.746 175.348 174.600 0.003 0.000 1.325 78 S CA -0.321 57.882 58.200 0.004 0.000 1.002 78 S CB 0.836 64.038 63.200 0.003 0.000 0.921 78 S HN 0.867 nan 8.310 nan 0.000 0.554 79 D N 1.040 121.442 120.400 0.003 0.000 2.097 79 D HA -0.082 4.558 4.640 0.000 0.000 0.195 79 D C 1.169 177.469 176.300 0.001 0.000 0.989 79 D CA 1.138 55.140 54.000 0.002 0.000 0.827 79 D CB 0.049 40.850 40.800 0.003 0.000 0.966 79 D HN 0.439 nan 8.370 nan 0.000 0.456 80 E N 0.341 120.542 120.200 0.001 0.000 2.403 80 E HA 0.131 4.481 4.350 0.000 0.000 0.188 80 E C -0.087 176.514 176.600 0.001 0.000 1.056 80 E CA 0.201 56.602 56.400 0.001 0.000 0.892 80 E CB 0.245 29.946 29.700 0.001 0.000 1.049 80 E HN 0.304 nan 8.360 nan 0.000 0.465 81 K N 0.528 120.929 120.400 0.002 0.000 2.328 81 K HA 0.582 4.902 4.320 0.000 0.000 0.246 81 K C -0.628 175.973 176.600 0.002 0.000 0.955 81 K CA -0.805 55.483 56.287 0.002 0.000 0.817 81 K CB 2.631 35.133 32.500 0.003 0.000 1.208 81 K HN -0.058 nan 8.250 nan 0.000 0.432 82 I N 1.250 121.822 120.570 0.002 0.000 2.498 82 I HA 0.343 4.513 4.170 0.000 0.000 0.290 82 I C -1.017 175.103 176.117 0.004 0.000 1.032 82 I CA -0.734 60.567 61.300 0.002 0.000 1.073 82 I CB 1.131 39.131 38.000 -0.000 0.000 1.251 82 I HN 0.464 nan 8.210 nan 0.000 0.426 83 R N 8.942 129.445 120.500 0.005 0.000 2.207 83 R HA 0.609 4.949 4.340 0.000 0.000 0.334 83 R C -0.930 175.376 176.300 0.009 0.000 1.013 83 R CA -0.455 55.649 56.100 0.008 0.000 0.858 83 R CB 1.257 31.561 30.300 0.008 0.000 1.094 83 R HN 0.672 nan 8.270 nan 0.000 0.457 84 M N 0.425 120.032 119.600 0.012 0.000 2.421 84 M HA 0.347 4.827 4.480 0.000 0.000 0.287 84 M C -0.919 175.393 176.300 0.021 0.000 1.183 84 M CA -1.199 54.111 55.300 0.017 0.000 0.916 84 M CB 2.109 34.719 32.600 0.016 0.000 1.701 84 M HN 0.423 nan 8.290 nan 0.000 0.470 85 N N 1.890 120.607 118.700 0.028 0.000 2.347 85 N HA 0.544 5.284 4.740 0.000 0.000 0.253 85 N C 0.954 176.484 175.510 0.034 0.000 1.274 85 N CA -0.126 52.944 53.050 0.032 0.000 0.941 85 N CB 0.750 39.261 38.487 0.040 0.000 1.200 85 N HN 0.824 nan 8.380 nan 0.000 0.514 86 A N -0.033 122.807 122.820 0.033 0.000 1.978 86 A HA -0.132 4.188 4.320 0.000 0.000 0.220 86 A C 2.037 179.642 177.584 0.036 0.000 1.170 86 A CA 1.470 53.524 52.037 0.029 0.000 0.636 86 A CB -1.053 17.961 19.000 0.023 0.000 0.810 86 A HN 0.491 nan 8.150 nan 0.000 0.448 87 V N -0.545 119.401 119.914 0.053 0.000 2.323 87 V HA -0.200 3.920 4.120 0.000 0.000 0.244 87 V C 2.575 178.713 176.094 0.075 0.000 1.041 87 V CA 1.949 64.294 62.300 0.074 0.000 1.025 87 V CB -0.577 31.313 31.823 0.112 0.000 0.656 87 V HN 0.397 nan 8.190 nan 0.000 0.451 88 V N -0.267 119.686 119.914 0.066 0.000 2.358 88 V HA -0.221 3.899 4.120 0.000 0.000 0.246 88 V C 2.522 178.639 176.094 0.039 0.000 1.047 88 V CA 1.871 64.204 62.300 0.055 0.000 1.035 88 V CB -0.840 31.008 31.823 0.043 0.000 0.658 88 V HN 0.425 nan 8.190 nan 0.000 0.452 89 R N 0.230 120.749 120.500 0.032 0.000 2.096 89 R HA -0.201 4.139 4.340 0.000 0.000 0.235 89 R C 2.290 178.602 176.300 0.021 0.000 1.127 89 R CA 1.930 58.044 56.100 0.022 0.000 0.968 89 R CB -0.442 29.869 30.300 0.018 0.000 0.861 89 R HN 0.590 nan 8.270 nan 0.000 0.440 90 N N 0.575 119.290 118.700 0.025 0.000 2.142 90 N HA -0.131 4.609 4.740 0.000 0.000 0.186 90 N C 1.192 176.717 175.510 0.025 0.000 1.023 90 N CA 1.587 54.649 53.050 0.021 0.000 0.852 90 N CB -0.072 38.427 38.487 0.021 0.000 0.998 90 N HN 0.239 nan 8.380 nan 0.000 0.424 91 N N -0.607 118.118 118.700 0.042 0.000 2.188 91 N HA -0.047 4.693 4.740 0.000 0.000 0.184 91 N C 0.996 176.527 175.510 0.034 0.000 1.018 91 N CA 0.704 53.784 53.050 0.050 0.000 0.858 91 N CB -0.015 38.519 38.487 0.077 0.000 0.989 91 N HN 0.236 nan 8.380 nan 0.000 0.426 92 L N 0.637 121.876 121.223 0.027 0.000 2.599 92 L HA 0.168 4.508 4.340 0.000 0.000 0.230 92 L C 0.026 176.901 176.870 0.009 0.000 1.141 92 L CA -0.004 54.846 54.840 0.017 0.000 0.877 92 L CB 0.010 42.078 42.059 0.014 0.000 1.009 92 L HN 0.106 nan 8.230 nan 0.000 0.447 93 R N 0.214 120.718 120.500 0.007 0.000 3.264 93 R HA -0.126 4.214 4.340 0.000 0.000 0.251 93 R C -0.742 175.557 176.300 -0.002 0.000 0.971 93 R CA 0.701 56.799 56.100 -0.003 0.000 0.658 93 R CB -2.557 27.735 30.300 -0.014 0.000 1.095 93 R HN 0.277 nan 8.270 nan 0.000 0.443 94 V N -2.238 117.678 119.914 0.004 0.000 2.588 94 V HA 0.676 4.796 4.120 0.000 0.000 0.304 94 V C 0.576 176.673 176.094 0.005 0.000 1.042 94 V CA -1.367 60.936 62.300 0.005 0.000 0.877 94 V CB 2.647 34.475 31.823 0.008 0.000 0.996 94 V HN 0.122 nan 8.190 nan 0.000 0.425 95 R N 2.897 123.399 120.500 0.003 0.000 2.582 95 R HA 0.630 4.970 4.340 0.000 0.000 0.271 95 R C -0.476 175.827 176.300 0.005 0.000 1.078 95 R CA -0.550 55.551 56.100 0.003 0.000 1.127 95 R CB 0.535 30.835 30.300 0.001 0.000 1.038 95 R HN 0.779 nan 8.270 nan 0.000 0.500 96 L N 1.897 123.123 121.223 0.005 0.000 2.601 96 L HA 0.088 4.428 4.340 0.000 0.000 0.277 96 L C 1.386 178.259 176.870 0.005 0.000 1.219 96 L CA 1.571 56.415 54.840 0.006 0.000 0.915 96 L CB 0.166 42.228 42.059 0.005 0.000 1.160 96 L HN 0.911 nan 8.230 nan 0.000 0.494 97 G N 1.136 109.939 108.800 0.005 0.000 2.140 97 G HA2 -0.190 3.771 3.960 0.000 0.000 0.211 97 G HA3 -0.190 3.771 3.960 0.000 0.000 0.211 97 G C -0.156 174.747 174.900 0.006 0.000 1.013 97 G CA -0.414 44.689 45.100 0.005 0.000 0.705 97 G HN 0.558 nan 8.290 nan 0.000 0.508 98 D N -0.275 120.129 120.400 0.007 0.000 2.268 98 D HA 0.553 5.193 4.640 0.000 0.000 0.249 98 D C 0.941 177.247 176.300 0.009 0.000 1.008 98 D CA 0.070 54.075 54.000 0.009 0.000 0.939 98 D CB 2.054 42.860 40.800 0.010 0.000 1.170 98 D HN 0.689 nan 8.370 nan 0.000 0.468 99 V N -0.390 119.531 119.914 0.011 0.000 2.498 99 V HA 0.601 4.721 4.120 0.000 0.000 0.279 99 V C 0.066 176.168 176.094 0.012 0.000 1.048 99 V CA -0.588 61.719 62.300 0.011 0.000 0.967 99 V CB 0.403 32.234 31.823 0.012 0.000 0.988 99 V HN 0.426 nan 8.190 nan 0.000 0.473 100 I N 1.893 122.469 120.570 0.009 0.000 2.892 100 I HA 0.794 4.964 4.170 0.000 0.000 0.306 100 I C -0.028 176.092 176.117 0.006 0.000 1.078 100 I CA -0.715 60.590 61.300 0.008 0.000 1.032 100 I CB 2.227 40.230 38.000 0.005 0.000 1.229 100 I HN 0.457 nan 8.210 nan 0.000 0.435 101 S N 4.454 120.158 115.700 0.006 0.000 2.452 101 S HA 0.571 5.041 4.470 0.000 0.000 0.284 101 S C -0.318 174.277 174.600 -0.008 0.000 1.171 101 S CA -0.369 57.832 58.200 0.002 0.000 1.064 101 S CB 0.480 63.685 63.200 0.009 0.000 0.967 101 S HN 0.623 nan 8.310 nan 0.000 0.484 102 I N 3.472 124.034 120.570 -0.013 0.000 2.353 102 I HA 0.372 4.542 4.170 0.000 0.000 0.293 102 I C -0.277 175.823 176.117 -0.029 0.000 0.992 102 I CA -0.289 60.997 61.300 -0.024 0.000 1.268 102 I CB 1.047 39.032 38.000 -0.025 0.000 1.387 102 I HN 0.547 nan 8.210 nan 0.000 0.478 103 Q N 8.523 128.299 119.800 -0.039 0.000 2.347 103 Q HA 0.526 4.866 4.340 0.000 0.000 0.271 103 Q C -2.563 173.405 176.000 -0.054 0.000 1.064 103 Q CA -2.139 53.640 55.803 -0.040 0.000 0.800 103 Q CB 2.421 31.141 28.738 -0.031 0.000 1.304 103 Q HN 0.321 nan 8.270 nan 0.000 0.438 104 P HA -0.033 nan 4.420 nan 0.000 0.264 104 P C -0.702 176.567 177.300 -0.051 0.000 1.193 104 P CA 0.103 63.164 63.100 -0.064 0.000 0.763 104 P CB 0.539 32.196 31.700 -0.071 0.000 0.810 105 C N 6.585 125.851 119.300 -0.057 0.000 3.414 105 C HA 0.340 4.800 4.460 0.000 0.000 0.208 105 C C -1.503 173.469 174.990 -0.030 0.000 1.422 105 C CA -1.592 57.397 59.018 -0.048 0.000 1.437 105 C CB -0.541 27.135 27.740 -0.107 0.000 1.850 105 C HN 0.443 nan 8.230 nan 0.000 0.481 106 P HA 0.101 nan 4.420 nan 0.000 0.245 106 P C 0.138 177.431 177.300 -0.011 0.000 1.206 106 P CA 1.048 64.137 63.100 -0.018 0.000 0.781 106 P CB 0.007 31.698 31.700 -0.015 0.000 0.994 107 D N 0.606 121.016 120.400 0.016 0.000 2.631 107 D HA 0.170 4.810 4.640 0.000 0.000 0.227 107 D C -0.620 175.719 176.300 0.065 0.000 1.146 107 D CA 0.120 54.138 54.000 0.030 0.000 1.009 107 D CB 0.309 41.134 40.800 0.042 0.000 1.057 107 D HN -0.075 nan 8.370 nan 0.000 0.509 108 V N 2.241 122.159 119.914 0.007 0.000 2.357 108 V HA 0.212 4.332 4.120 0.000 0.000 0.281 108 V C 0.285 176.303 176.094 -0.127 0.000 1.015 108 V CA -1.018 61.292 62.300 0.016 0.000 0.827 108 V CB 1.724 33.564 31.823 0.029 0.000 1.018 108 V HN -0.001 nan 8.190 nan 0.000 0.432 109 K N 3.017 123.366 120.400 -0.086 0.000 2.202 109 K HA 0.479 4.800 4.320 0.000 0.000 0.264 109 K C -0.576 175.959 176.600 -0.109 0.000 1.010 109 K CA -0.195 56.019 56.287 -0.121 0.000 0.940 109 K CB 0.354 32.847 32.500 -0.012 0.000 0.983 109 K HN 0.528 nan 8.250 nan 0.000 0.475 110 Y N 0.449 120.787 120.300 0.064 0.000 2.544 110 Y HA 0.162 4.712 4.550 0.000 0.000 0.330 110 Y C 1.412 177.331 175.900 0.032 0.000 1.136 110 Y CA -0.104 58.035 58.100 0.064 0.000 1.417 110 Y CB 0.268 38.777 38.460 0.081 0.000 1.229 110 Y HN 0.607 nan 8.280 nan 0.000 0.532 111 G N 2.459 111.352 108.800 0.154 0.000 2.467 111 G HA2 0.290 4.250 3.960 0.000 0.000 0.257 111 G HA3 0.290 4.250 3.960 0.000 0.000 0.257 111 G C 0.266 175.199 174.900 0.054 0.000 1.227 111 G CA -0.629 44.518 45.100 0.078 0.000 0.835 111 G HN 0.610 nan 8.290 nan 0.000 0.556 112 K N -0.237 120.184 120.400 0.036 0.000 2.412 112 K HA 0.220 4.540 4.320 0.000 0.000 0.202 112 K C 0.735 177.333 176.600 -0.004 0.000 1.102 112 K CA 0.266 56.558 56.287 0.009 0.000 1.027 112 K CB 0.810 33.322 32.500 0.020 0.000 0.931 112 K HN 0.444 nan 8.250 nan 0.000 0.557 113 R N 0.827 121.343 120.500 0.027 0.000 2.510 113 R HA 0.440 4.780 4.340 0.000 0.000 0.294 113 R C -1.075 175.279 176.300 0.090 0.000 1.056 113 R CA -0.485 55.660 56.100 0.077 0.000 0.918 113 R CB 1.514 31.907 30.300 0.154 0.000 1.187 113 R HN 0.050 nan 8.270 nan 0.000 0.437 114 I N -1.595 119.021 120.570 0.076 0.000 2.569 114 I HA 0.502 4.672 4.170 0.000 0.000 0.296 114 I C -0.838 175.398 176.117 0.200 0.000 1.028 114 I CA -0.943 60.424 61.300 0.113 0.000 1.082 114 I CB 2.222 40.240 38.000 0.030 0.000 1.264 114 I HN 0.560 nan 8.210 nan 0.000 0.429 115 H N 5.318 124.474 119.070 0.144 0.000 2.595 115 H HA 0.710 5.266 4.556 0.000 0.000 0.313 115 H C -1.056 174.376 175.328 0.172 0.000 1.023 115 H CA -0.658 55.485 56.048 0.158 0.000 1.218 115 H CB 1.417 31.236 29.762 0.095 0.000 1.403 115 H HN 0.675 nan 8.280 nan 0.000 0.477 116 V N 3.765 123.826 119.914 0.245 0.000 2.680 116 V HA 0.615 4.735 4.120 0.000 0.000 0.309 116 V C -0.877 175.401 176.094 0.306 0.000 1.052 116 V CA -0.933 61.557 62.300 0.317 0.000 0.908 116 V CB 1.907 33.950 31.823 0.367 0.000 1.001 116 V HN 0.614 nan 8.190 nan 0.000 0.431 117 L N 4.963 126.369 121.223 0.305 0.000 2.408 117 L HA 0.647 4.987 4.340 0.000 0.000 0.268 117 L C -2.512 174.402 176.870 0.074 0.000 0.986 117 L CA -1.797 53.171 54.840 0.214 0.000 0.820 117 L CB 3.339 45.497 42.059 0.165 0.000 1.303 117 L HN 0.507 nan 8.230 nan 0.000 0.411 118 P HA 0.265 nan 4.420 nan 0.000 0.276 118 P C -0.813 176.283 177.300 -0.340 0.000 1.252 118 P CA -0.284 62.485 63.100 -0.552 0.000 0.802 118 P CB 1.160 32.464 31.700 -0.659 0.000 1.035 119 I N 1.951 122.284 120.570 -0.395 0.000 2.331 119 I HA 0.062 4.232 4.170 0.000 0.000 0.292 119 I C 1.775 177.759 176.117 -0.221 0.000 0.998 119 I CA -0.272 60.878 61.300 -0.250 0.000 1.267 119 I CB 0.869 38.737 38.000 -0.220 0.000 1.386 119 I HN 0.399 nan 8.210 nan 0.000 0.476 120 D N 4.730 125.039 120.400 -0.153 0.000 2.149 120 D HA -0.320 4.320 4.640 0.000 0.000 0.194 120 D C 1.269 177.497 176.300 -0.119 0.000 1.001 120 D CA 2.029 55.956 54.000 -0.122 0.000 0.849 120 D CB -0.379 40.370 40.800 -0.084 0.000 0.939 120 D HN 0.694 nan 8.370 nan 0.000 0.449 121 D N 0.265 120.596 120.400 -0.114 0.000 2.312 121 D HA -0.118 4.522 4.640 0.000 0.000 0.211 121 D C 1.556 177.785 176.300 -0.118 0.000 0.964 121 D CA 1.594 55.534 54.000 -0.100 0.000 0.877 121 D CB -1.016 39.735 40.800 -0.081 0.000 0.924 121 D HN 0.427 nan 8.370 nan 0.000 0.515 122 T N -2.569 111.886 114.554 -0.165 0.000 3.244 122 T HA 0.325 4.675 4.350 0.000 0.000 0.254 122 T C 0.863 175.417 174.700 -0.242 0.000 1.024 122 T CA -0.355 61.627 62.100 -0.198 0.000 0.920 122 T CB 0.225 68.942 68.868 -0.250 0.000 1.042 122 T HN 0.009 nan 8.240 nan 0.000 0.572 123 V N -0.001 119.796 119.914 -0.196 0.000 3.544 123 V HA 0.297 4.417 4.120 0.000 0.000 0.298 123 V C -0.360 175.668 176.094 -0.110 0.000 1.580 123 V CA -0.456 61.727 62.300 -0.195 0.000 1.122 123 V CB 0.503 32.169 31.823 -0.262 0.000 0.951 123 V HN 0.476 nan 8.190 nan 0.000 0.448 124 E N 1.329 121.478 120.200 -0.085 0.000 2.324 124 E HA 0.496 4.846 4.350 0.000 0.000 0.271 124 E C 0.500 177.080 176.600 -0.033 0.000 1.028 124 E CA 0.936 57.304 56.400 -0.053 0.000 0.890 124 E CB 0.806 30.478 29.700 -0.047 0.000 1.004 124 E HN 0.626 nan 8.360 nan 0.000 0.431 125 G N 3.356 112.144 108.800 -0.019 0.000 3.019 125 G HA2 -0.178 3.782 3.960 0.000 0.000 0.686 125 G HA3 -0.178 3.782 3.960 0.000 0.000 0.686 125 G C -0.175 174.731 174.900 0.011 0.000 1.056 125 G CA -0.712 44.386 45.100 -0.003 0.000 0.774 125 G HN 0.791 nan 8.290 nan 0.000 0.583 126 I N 1.108 121.691 120.570 0.021 0.000 4.719 126 I HA -0.263 3.907 4.170 0.000 0.000 0.126 126 I C 1.600 177.753 176.117 0.061 0.000 1.154 126 I CA 2.051 63.375 61.300 0.040 0.000 2.669 126 I CB -0.513 37.513 38.000 0.044 0.000 1.842 126 I HN 1.045 nan 8.210 nan 0.000 0.327 127 T N 5.050 119.639 114.554 0.057 0.000 2.777 127 T HA 0.095 4.445 4.350 0.000 0.000 0.266 127 T C 1.781 176.553 174.700 0.121 0.000 1.040 127 T CA 1.415 63.562 62.100 0.079 0.000 1.141 127 T CB -0.551 68.354 68.868 0.062 0.000 0.868 127 T HN 1.342 nan 8.240 nan 0.000 0.444 128 G N 2.373 111.229 108.800 0.094 0.000 3.434 128 G HA2 -0.358 3.602 3.960 0.000 0.000 0.343 128 G HA3 -0.358 3.602 3.960 0.000 0.000 0.343 128 G C 0.241 175.203 174.900 0.104 0.000 1.240 128 G CA 0.744 45.898 45.100 0.091 0.000 0.996 128 G HN 0.725 nan 8.290 nan 0.000 0.650 129 N N -0.022 118.762 118.700 0.141 0.000 2.537 129 N HA 0.367 5.107 4.740 0.000 0.000 0.281 129 N C 1.058 176.720 175.510 0.253 0.000 1.097 129 N CA -0.130 53.024 53.050 0.173 0.000 0.964 129 N CB 1.502 40.081 38.487 0.153 0.000 1.588 129 N HN 0.273 nan 8.380 nan 0.000 0.511 130 L N 2.517 123.921 121.223 0.301 0.000 2.056 130 L HA -0.010 4.330 4.340 0.000 0.000 0.207 130 L C 2.143 179.267 176.870 0.423 0.000 1.078 130 L CA 1.215 56.313 54.840 0.429 0.000 0.749 130 L CB -0.376 41.902 42.059 0.365 0.000 0.901 130 L HN 0.538 nan 8.230 nan 0.000 0.433 131 F N 1.071 121.133 119.950 0.185 0.000 2.102 131 F HA -0.255 4.272 4.527 0.000 0.000 0.298 131 F C 2.523 178.386 175.800 0.105 0.000 1.105 131 F CA 1.801 59.871 58.000 0.117 0.000 1.239 131 F CB 0.102 39.142 39.000 0.066 0.000 0.991 131 F HN -0.000 nan 8.300 nan 0.000 0.474 132 E N 0.185 120.397 120.200 0.019 0.000 2.015 132 E HA -0.137 4.213 4.350 0.000 0.000 0.191 132 E C 2.123 178.630 176.600 -0.155 0.000 0.991 132 E CA 1.885 58.220 56.400 -0.109 0.000 0.802 132 E CB -0.555 29.174 29.700 0.047 0.000 0.759 132 E HN 0.263 nan 8.360 nan 0.000 0.447 133 V N -0.157 119.696 119.914 -0.103 0.000 2.548 133 V HA -0.189 3.931 4.120 0.000 0.000 0.249 133 V C 1.504 177.303 176.094 -0.491 0.000 1.055 133 V CA 1.788 63.895 62.300 -0.321 0.000 1.065 133 V CB -0.482 31.090 31.823 -0.418 0.000 0.681 133 V HN 0.291 nan 8.190 nan 0.000 0.462 134 Y N -1.236 119.057 120.300 -0.012 0.000 2.583 134 Y HA 0.271 4.821 4.550 0.000 0.000 0.270 134 Y C 2.007 177.843 175.900 -0.106 0.000 1.113 134 Y CA 0.221 58.321 58.100 -0.001 0.000 1.307 134 Y CB -0.332 38.228 38.460 0.166 0.000 1.369 134 Y HN -0.036 nan 8.280 nan 0.000 0.506 135 L N 0.331 121.539 121.223 -0.025 0.000 2.072 135 L HA -0.116 4.224 4.340 0.000 0.000 0.205 135 L C 2.408 179.256 176.870 -0.037 0.000 1.079 135 L CA 1.350 56.168 54.840 -0.036 0.000 0.752 135 L CB -0.365 41.729 42.059 0.059 0.000 0.906 135 L HN 0.130 nan 8.230 nan 0.000 0.436 136 K N 0.323 120.461 120.400 -0.437 0.000 2.009 136 K HA -0.155 4.165 4.320 0.000 0.000 0.210 136 K C -0.560 175.949 176.600 -0.151 0.000 1.049 136 K CA 1.613 57.644 56.287 -0.427 0.000 0.929 136 K CB -0.817 31.251 32.500 -0.719 0.000 0.714 136 K HN 0.202 nan 8.250 nan 0.000 0.440 137 P HA -0.161 nan 4.420 nan 0.000 0.226 137 P C 0.972 178.243 177.300 -0.048 0.000 1.153 137 P CA 1.066 64.118 63.100 -0.080 0.000 0.777 137 P CB -0.097 31.554 31.700 -0.081 0.000 0.794 138 Y N -0.309 119.872 120.300 -0.198 0.000 2.263 138 Y HA -0.051 4.499 4.550 0.000 0.000 0.292 138 Y C 1.731 177.378 175.900 -0.421 0.000 1.130 138 Y CA 1.547 59.446 58.100 -0.335 0.000 1.179 138 Y CB -0.465 37.720 38.460 -0.458 0.000 0.998 138 Y HN -0.252 nan 8.280 nan 0.000 0.532 139 F N -1.032 118.843 119.950 -0.125 0.000 2.678 139 F HA 0.175 4.702 4.527 0.000 0.000 0.291 139 F C 0.422 176.109 175.800 -0.188 0.000 1.123 139 F CA -0.436 57.446 58.000 -0.197 0.000 1.395 139 F CB -0.355 38.593 39.000 -0.087 0.000 1.121 139 F HN -0.190 nan 8.300 nan 0.000 0.592 140 L N 2.344 123.575 121.223 0.014 0.000 2.737 140 L HA -0.088 4.253 4.340 0.000 0.000 0.275 140 L C 0.999 177.827 176.870 -0.071 0.000 1.179 140 L CA 0.264 55.080 54.840 -0.040 0.000 0.970 140 L CB -0.378 41.650 42.059 -0.051 0.000 1.268 140 L HN 0.314 nan 8.230 nan 0.000 0.485 141 E N 1.807 121.934 120.200 -0.122 0.000 3.547 141 E HA -0.356 3.994 4.350 0.000 0.000 0.300 141 E C 1.217 177.781 176.600 -0.060 0.000 0.857 141 E CA 1.141 57.462 56.400 -0.133 0.000 1.039 141 E CB -1.635 28.052 29.700 -0.021 0.000 1.524 141 E HN 0.857 nan 8.360 nan 0.000 0.457 142 A N -0.294 122.480 122.820 -0.078 0.000 2.066 142 A HA -0.021 4.299 4.320 0.000 0.000 0.218 142 A C 0.617 178.271 177.584 0.118 0.000 1.157 142 A CA 1.033 53.061 52.037 -0.015 0.000 0.670 142 A CB -0.465 18.455 19.000 -0.133 0.000 0.804 142 A HN 0.356 nan 8.150 nan 0.000 0.453 143 Y N -0.536 119.794 120.300 0.050 0.000 3.037 143 Y HA -0.225 4.325 4.550 0.000 0.000 0.204 143 Y C 0.595 176.536 175.900 0.068 0.000 1.275 143 Y CA 0.523 58.676 58.100 0.088 0.000 1.066 143 Y CB -1.776 36.748 38.460 0.108 0.000 1.305 143 Y HN 0.378 nan 8.280 nan 0.000 0.499 144 R N 2.038 122.632 120.500 0.157 0.000 2.347 144 R HA 0.187 4.527 4.340 0.000 0.000 0.304 144 R C -2.203 174.170 176.300 0.123 0.000 1.072 144 R CA -1.488 54.679 56.100 0.112 0.000 0.980 144 R CB 0.434 30.805 30.300 0.118 0.000 0.986 144 R HN 0.051 nan 8.270 nan 0.000 0.448 145 P HA 0.156 nan 4.420 nan 0.000 0.280 145 P C -0.725 176.622 177.300 0.078 0.000 1.244 145 P CA -0.134 63.006 63.100 0.067 0.000 0.784 145 P CB 0.653 32.364 31.700 0.018 0.000 0.913 146 I N -0.618 120.016 120.570 0.107 0.000 2.722 146 I HA 0.623 4.793 4.170 0.000 0.000 0.295 146 I C -0.561 175.660 176.117 0.173 0.000 1.161 146 I CA -1.316 60.063 61.300 0.131 0.000 1.032 146 I CB 2.964 41.054 38.000 0.150 0.000 1.244 146 I HN 0.086 nan 8.210 nan 0.000 0.421 147 R N 3.238 123.846 120.500 0.180 0.000 2.540 147 R HA 0.409 4.749 4.340 0.000 0.000 0.287 147 R C -0.390 176.032 176.300 0.203 0.000 0.980 147 R CA -1.027 55.207 56.100 0.224 0.000 0.966 147 R CB 1.658 32.072 30.300 0.190 0.000 1.106 147 R HN 0.758 nan 8.270 nan 0.000 0.480 148 K N 0.855 121.365 120.400 0.184 0.000 2.491 148 K HA -0.060 4.260 4.320 0.000 0.000 0.279 148 K C 0.573 177.255 176.600 0.137 0.000 1.026 148 K CA 1.644 58.019 56.287 0.147 0.000 1.070 148 K CB 0.178 32.742 32.500 0.105 0.000 0.887 148 K HN 0.844 nan 8.250 nan 0.000 0.481 149 G N 3.105 111.987 108.800 0.136 0.000 2.195 149 G HA2 -0.219 3.741 3.960 0.000 0.000 0.246 149 G HA3 -0.219 3.741 3.960 0.000 0.000 0.246 149 G C -0.449 174.528 174.900 0.129 0.000 0.984 149 G CA 0.088 45.254 45.100 0.110 0.000 0.633 149 G HN 0.724 nan 8.290 nan 0.000 0.525 150 D N 0.638 121.149 120.400 0.185 0.000 2.450 150 D HA 0.398 5.039 4.640 0.000 0.000 0.247 150 D C 0.639 177.094 176.300 0.258 0.000 1.162 150 D CA 0.382 54.522 54.000 0.233 0.000 0.879 150 D CB 0.568 41.552 40.800 0.307 0.000 1.163 150 D HN 0.318 nan 8.370 nan 0.000 0.472 151 I N 4.433 125.106 120.570 0.172 0.000 2.307 151 I HA 0.264 4.434 4.170 0.000 0.000 0.289 151 I C -0.190 176.007 176.117 0.132 0.000 1.021 151 I CA -0.795 60.548 61.300 0.073 0.000 1.224 151 I CB 0.148 38.150 38.000 0.003 0.000 1.376 151 I HN 0.132 nan 8.210 nan 0.000 0.470 152 F N 5.820 125.813 119.950 0.072 0.000 2.546 152 F HA 0.835 5.362 4.527 0.000 0.000 0.320 152 F C -1.155 174.642 175.800 -0.005 0.000 1.076 152 F CA -1.522 56.495 58.000 0.028 0.000 0.928 152 F CB 1.048 40.061 39.000 0.021 0.000 1.189 152 F HN 0.230 nan 8.300 nan 0.000 0.465 153 L N 3.343 124.618 121.223 0.086 0.000 2.322 153 L HA 0.813 5.153 4.340 0.000 0.000 0.279 153 L C -1.142 175.748 176.870 0.033 0.000 1.036 153 L CA -0.600 54.247 54.840 0.012 0.000 0.807 153 L CB 1.699 43.771 42.059 0.022 0.000 1.226 153 L HN 0.654 nan 8.230 nan 0.000 0.433 154 V N 4.814 124.763 119.914 0.058 0.000 2.638 154 V HA 0.588 4.708 4.120 0.000 0.000 0.306 154 V C -0.452 175.778 176.094 0.226 0.000 1.052 154 V CA -0.841 61.517 62.300 0.098 0.000 0.885 154 V CB 1.895 33.768 31.823 0.084 0.000 0.999 154 V HN 0.695 nan 8.190 nan 0.000 0.424 155 R N 2.611 123.232 120.500 0.202 0.000 2.368 155 R HA 0.739 5.079 4.340 0.000 0.000 0.302 155 R C 0.152 176.554 176.300 0.171 0.000 1.002 155 R CA -0.547 55.667 56.100 0.189 0.000 0.929 155 R CB 1.760 32.124 30.300 0.107 0.000 1.073 155 R HN 0.920 nan 8.270 nan 0.000 0.464 156 G N 0.796 109.692 108.800 0.160 0.000 2.770 156 G HA2 0.433 4.393 3.960 0.000 0.000 0.298 156 G HA3 0.433 4.393 3.960 0.000 0.000 0.298 156 G C 0.479 175.323 174.900 -0.093 0.000 1.534 156 G CA 0.046 45.043 45.100 -0.171 0.000 1.046 156 G HN 0.808 nan 8.290 nan 0.000 0.548 157 G N 3.190 111.954 108.800 -0.060 0.000 2.677 157 G HA2 -0.411 3.549 3.960 0.000 0.000 0.321 157 G HA3 -0.411 3.549 3.960 0.000 0.000 0.321 157 G C 1.873 176.785 174.900 0.020 0.000 1.181 157 G CA 2.155 47.239 45.100 -0.027 0.000 0.965 157 G HN 1.643 nan 8.290 nan 0.000 0.548 158 M N 0.750 120.372 119.600 0.037 0.000 2.082 158 M HA 0.108 4.588 4.480 0.000 0.000 0.258 158 M C 1.374 177.711 176.300 0.061 0.000 1.069 158 M CA 2.705 58.034 55.300 0.049 0.000 1.102 158 M CB -0.466 32.167 32.600 0.054 0.000 1.336 158 M HN 0.938 nan 8.290 nan 0.000 0.404 159 R N -0.095 120.469 120.500 0.106 0.000 2.756 159 R HA 0.801 5.141 4.340 0.000 0.000 0.273 159 R C -1.965 174.429 176.300 0.156 0.000 1.030 159 R CA -0.611 55.545 56.100 0.094 0.000 0.887 159 R CB 0.980 31.309 30.300 0.047 0.000 1.274 159 R HN 0.072 nan 8.270 nan 0.000 0.461 160 A N 1.047 123.915 122.820 0.080 0.000 2.304 160 A HA 0.636 4.957 4.320 0.000 0.000 0.323 160 A C -0.668 176.875 177.584 -0.068 0.000 1.195 160 A CA -0.750 51.328 52.037 0.069 0.000 0.826 160 A CB 1.554 20.582 19.000 0.047 0.000 1.184 160 A HN 0.360 nan 8.150 nan 0.000 0.496 161 V N 2.489 122.307 119.914 -0.161 0.000 2.459 161 V HA 0.314 4.434 4.120 0.000 0.000 0.295 161 V C 0.139 175.986 176.094 -0.413 0.000 1.029 161 V CA -0.565 61.473 62.300 -0.437 0.000 0.874 161 V CB 1.500 32.798 31.823 -0.875 0.000 0.985 161 V HN 1.002 nan 8.190 nan 0.000 0.438 162 E N 2.860 122.771 120.200 -0.481 0.000 2.283 162 E HA 0.538 4.888 4.350 0.000 0.000 0.278 162 E C -1.460 174.701 176.600 -0.732 0.000 1.027 162 E CA -0.147 55.992 56.400 -0.435 0.000 0.843 162 E CB 1.165 30.693 29.700 -0.286 0.000 1.062 162 E HN 0.514 nan 8.360 nan 0.000 0.401 163 F N 1.723 121.297 119.950 -0.626 0.000 2.546 163 F HA 0.390 4.917 4.527 0.000 0.000 0.320 163 F C 0.220 175.678 175.800 -0.571 0.000 1.076 163 F CA -0.895 56.707 58.000 -0.663 0.000 0.928 163 F CB 1.651 40.058 39.000 -0.988 0.000 1.189 163 F HN 0.127 nan 8.300 nan 0.000 0.465 164 K N 1.874 122.232 120.400 -0.069 0.000 2.244 164 K HA 0.594 4.914 4.320 0.000 0.000 0.260 164 K C -1.375 175.337 176.600 0.186 0.000 0.951 164 K CA -0.614 55.696 56.287 0.038 0.000 0.826 164 K CB 1.670 34.186 32.500 0.027 0.000 1.108 164 K HN 0.495 nan 8.250 nan 0.000 0.433 165 V N 5.696 125.774 119.914 0.273 0.000 2.370 165 V HA 0.001 4.121 4.120 0.000 0.000 0.257 165 V C 1.167 177.383 176.094 0.203 0.000 1.064 165 V CA -0.165 62.321 62.300 0.309 0.000 0.975 165 V CB 0.788 32.816 31.823 0.343 0.000 1.067 165 V HN 0.687 nan 8.190 nan 0.000 0.485 166 V N 3.440 123.472 119.914 0.197 0.000 2.535 166 V HA 0.090 4.210 4.120 0.000 0.000 0.246 166 V C 0.755 176.896 176.094 0.078 0.000 1.045 166 V CA 1.082 63.451 62.300 0.114 0.000 1.058 166 V CB -0.131 31.740 31.823 0.081 0.000 0.689 166 V HN 0.897 nan 8.190 nan 0.000 0.461 167 E N -0.851 119.423 120.200 0.123 0.000 2.407 167 E HA 0.530 4.880 4.350 0.000 0.000 0.279 167 E C -0.815 175.857 176.600 0.119 0.000 1.012 167 E CA -0.213 56.241 56.400 0.089 0.000 0.800 167 E CB 2.230 31.953 29.700 0.039 0.000 1.276 167 E HN 0.305 nan 8.360 nan 0.000 0.452 168 T N -0.389 114.215 114.554 0.083 0.000 2.901 168 T HA 0.403 4.753 4.350 0.000 0.000 0.293 168 T C 0.251 174.981 174.700 0.050 0.000 1.084 168 T CA -0.651 61.494 62.100 0.075 0.000 1.008 168 T CB 1.581 70.491 68.868 0.070 0.000 1.170 168 T HN 0.362 nan 8.240 nan 0.000 0.509 169 D N 0.862 121.289 120.400 0.045 0.000 2.107 169 D HA 0.189 4.829 4.640 0.000 0.000 0.204 169 D C -1.506 174.801 176.300 0.012 0.000 0.978 169 D CA 0.677 54.698 54.000 0.035 0.000 0.852 169 D CB -1.215 39.611 40.800 0.042 0.000 1.008 169 D HN 0.476 nan 8.370 nan 0.000 0.458 170 P HA 0.174 nan 4.420 nan 0.000 0.272 170 P C 0.578 177.832 177.300 -0.077 0.000 1.230 170 P CA -0.112 62.965 63.100 -0.039 0.000 0.788 170 P CB 1.049 32.722 31.700 -0.045 0.000 0.949 171 S N 2.046 117.672 115.700 -0.122 0.000 2.392 171 S HA -0.142 4.328 4.470 0.000 0.000 0.225 171 S C -0.749 173.774 174.600 -0.128 0.000 1.041 171 S CA 2.093 60.221 58.200 -0.121 0.000 1.100 171 S CB -1.684 61.442 63.200 -0.124 0.000 1.029 171 S HN 0.625 nan 8.310 nan 0.000 0.424 172 P HA 0.243 nan 4.420 nan 0.000 0.233 172 P C -0.480 176.814 177.300 -0.010 0.000 1.157 172 P CA 0.413 63.427 63.100 -0.143 0.000 0.876 172 P CB 0.233 31.837 31.700 -0.162 0.000 0.947 173 Y N -0.819 119.499 120.300 0.031 0.000 2.588 173 Y HA 0.693 5.243 4.550 -0.000 0.000 0.343 173 Y C -0.517 175.394 175.900 0.018 0.000 1.065 173 Y CA -1.989 56.130 58.100 0.031 0.000 1.038 173 Y CB 0.620 39.097 38.460 0.028 0.000 1.297 173 Y HN 0.069 nan 8.280 nan 0.000 0.467 174 C N 0.202 119.638 119.300 0.228 0.000 3.311 174 C HA 0.794 5.254 4.460 0.000 0.000 0.325 174 C C -1.000 174.053 174.990 0.105 0.000 1.352 174 C CA -1.230 57.864 59.018 0.127 0.000 1.308 174 C CB 0.835 28.621 27.740 0.077 0.000 1.619 174 C HN 0.971 nan 8.230 nan 0.000 0.469 175 I N 2.056 122.670 120.570 0.074 0.000 2.342 175 I HA 0.304 4.474 4.170 0.000 0.000 0.291 175 I C 0.142 176.349 176.117 0.150 0.000 1.010 175 I CA -0.300 61.070 61.300 0.117 0.000 1.308 175 I CB 1.623 39.684 38.000 0.102 0.000 1.400 175 I HN 0.571 nan 8.210 nan 0.000 0.488 176 V N 7.586 127.544 119.914 0.073 0.000 2.302 176 V HA 0.196 4.316 4.120 0.000 0.000 0.244 176 V C 0.961 177.008 176.094 -0.078 0.000 1.160 176 V CA -0.354 61.900 62.300 -0.077 0.000 1.127 176 V CB -0.459 31.144 31.823 -0.368 0.000 1.253 176 V HN 0.829 nan 8.190 nan 0.000 0.496 177 A N 7.659 130.471 122.820 -0.014 0.000 2.346 177 A HA 0.511 4.831 4.320 0.000 0.000 0.252 177 A C -0.497 176.913 177.584 -0.290 0.000 1.089 177 A CA -1.187 50.707 52.037 -0.237 0.000 0.797 177 A CB -0.046 18.907 19.000 -0.079 0.000 1.047 177 A HN 0.574 nan 8.150 nan 0.000 0.494 178 P HA -0.149 nan 4.420 nan 0.000 0.226 178 P C 0.133 177.355 177.300 -0.130 0.000 1.146 178 P CA 1.547 64.525 63.100 -0.204 0.000 0.773 178 P CB -0.068 31.521 31.700 -0.185 0.000 0.772 179 D N -0.675 119.646 120.400 -0.132 0.000 2.144 179 D HA -0.075 4.565 4.640 0.000 0.000 0.200 179 D C 0.363 176.614 176.300 -0.081 0.000 0.978 179 D CA 0.979 54.925 54.000 -0.090 0.000 0.833 179 D CB -0.754 39.999 40.800 -0.078 0.000 0.961 179 D HN 0.152 nan 8.370 nan 0.000 0.470 180 T N 1.352 115.850 114.554 -0.094 0.000 2.829 180 T HA 0.160 4.510 4.350 0.000 0.000 0.293 180 T C 0.239 174.854 174.700 -0.142 0.000 0.970 180 T CA -0.347 61.689 62.100 -0.108 0.000 1.168 180 T CB 1.050 69.830 68.868 -0.147 0.000 0.911 180 T HN -0.197 nan 8.240 nan 0.000 0.535 181 V N 5.536 125.349 119.914 -0.169 0.000 2.470 181 V HA 0.179 4.299 4.120 0.000 0.000 0.276 181 V C 0.569 176.461 176.094 -0.336 0.000 1.040 181 V CA -0.287 61.834 62.300 -0.299 0.000 1.008 181 V CB 0.169 31.760 31.823 -0.387 0.000 0.990 181 V HN 0.761 nan 8.190 nan 0.000 0.477 182 I N 5.669 126.036 120.570 -0.338 0.000 2.313 182 I HA 0.264 4.434 4.170 0.000 0.000 0.286 182 I C 0.331 176.278 176.117 -0.284 0.000 1.091 182 I CA -0.261 60.921 61.300 -0.196 0.000 1.216 182 I CB -0.097 37.954 38.000 0.086 0.000 1.434 182 I HN 0.575 nan 8.210 nan 0.000 0.487 183 H N 4.871 123.847 119.070 -0.157 0.000 2.803 183 H HA 0.129 4.685 4.556 0.000 0.000 0.330 183 H C 0.581 175.751 175.328 -0.263 0.000 1.057 183 H CA -0.107 55.800 56.048 -0.234 0.000 1.458 183 H CB 1.377 30.985 29.762 -0.255 0.000 1.470 183 H HN 0.813 nan 8.280 nan 0.000 0.560 184 C N 0.660 119.912 119.300 -0.080 0.000 3.596 184 C HA 0.225 4.685 4.460 0.000 0.000 0.268 184 C C 0.023 175.010 174.990 -0.006 0.000 1.912 184 C CA -0.872 58.133 59.018 -0.022 0.000 1.721 184 C CB -1.101 26.734 27.740 0.158 0.000 3.328 184 C HN 0.685 nan 8.230 nan 0.000 0.500 185 E N 1.945 122.110 120.200 -0.059 0.000 2.383 185 E HA 0.612 4.963 4.350 0.000 0.000 0.264 185 E C 0.667 177.297 176.600 0.049 0.000 1.050 185 E CA 0.820 57.223 56.400 0.004 0.000 0.896 185 E CB 0.101 29.808 29.700 0.012 0.000 0.982 185 E HN 1.240 nan 8.360 nan 0.000 0.424 186 G N 0.798 109.647 108.800 0.081 0.000 2.343 186 G HA2 -0.014 3.946 3.960 0.000 0.000 0.465 186 G HA3 -0.014 3.946 3.960 0.000 0.000 0.465 186 G C -1.253 173.693 174.900 0.077 0.000 1.282 186 G CA -1.066 44.101 45.100 0.111 0.000 0.996 186 G HN 0.474 nan 8.290 nan 0.000 0.521 187 E N 0.938 121.176 120.200 0.063 0.000 2.384 187 E HA 0.290 4.640 4.350 0.000 0.000 0.266 187 E C -2.029 174.583 176.600 0.020 0.000 1.012 187 E CA -0.934 55.484 56.400 0.030 0.000 0.901 187 E CB 0.765 30.475 29.700 0.017 0.000 0.967 187 E HN 0.173 nan 8.360 nan 0.000 0.435 188 P HA 0.041 nan 4.420 nan 0.000 0.266 188 P C -0.110 177.164 177.300 -0.043 0.000 1.215 188 P CA -0.121 62.953 63.100 -0.042 0.000 0.763 188 P CB 0.298 31.959 31.700 -0.065 0.000 0.806 189 I N 3.488 124.029 120.570 -0.050 0.000 2.741 189 I HA -0.043 4.127 4.170 0.000 0.000 0.288 189 I C 1.167 177.245 176.117 -0.064 0.000 1.192 189 I CA 0.431 61.702 61.300 -0.048 0.000 1.426 189 I CB -0.459 37.512 38.000 -0.047 0.000 1.367 189 I HN 0.308 nan 8.210 nan 0.000 0.563 190 K N 5.544 125.914 120.400 -0.051 0.000 2.350 190 K HA 0.024 4.344 4.320 0.000 0.000 0.279 190 K C 1.121 177.686 176.600 -0.058 0.000 1.027 190 K CA -0.320 55.935 56.287 -0.053 0.000 0.969 190 K CB 1.038 33.513 32.500 -0.041 0.000 0.954 190 K HN 0.328 nan 8.250 nan 0.000 0.474 191 R N 2.747 123.209 120.500 -0.063 0.000 2.091 191 R HA -0.186 4.154 4.340 0.000 0.000 0.238 191 R C 1.123 177.392 176.300 -0.052 0.000 1.136 191 R CA 1.890 57.952 56.100 -0.064 0.000 0.959 191 R CB -0.019 30.242 30.300 -0.065 0.000 0.856 191 R HN 0.689 nan 8.270 nan 0.000 0.437 192 E N -0.108 120.065 120.200 -0.046 0.000 2.160 192 E HA -0.193 4.157 4.350 0.000 0.000 0.195 192 E C 1.339 177.915 176.600 -0.040 0.000 0.991 192 E CA 1.341 57.717 56.400 -0.040 0.000 0.810 192 E CB -0.105 29.574 29.700 -0.036 0.000 0.742 192 E HN 0.460 nan 8.360 nan 0.000 0.466 193 D N 0.781 121.156 120.400 -0.041 0.000 2.097 193 D HA -0.145 4.495 4.640 0.000 0.000 0.195 193 D C 1.781 178.056 176.300 -0.040 0.000 0.989 193 D CA 0.937 54.914 54.000 -0.039 0.000 0.827 193 D CB -0.115 40.664 40.800 -0.036 0.000 0.966 193 D HN 0.112 nan 8.370 nan 0.000 0.456 194 E N 0.650 120.824 120.200 -0.043 0.000 2.285 194 E HA -0.073 4.277 4.350 0.000 0.000 0.194 194 E C 1.908 178.482 176.600 -0.042 0.000 0.997 194 E CA 0.347 56.722 56.400 -0.042 0.000 0.845 194 E CB 0.074 29.746 29.700 -0.047 0.000 0.782 194 E HN 0.411 nan 8.360 nan 0.000 0.491 195 E N 0.677 120.851 120.200 -0.043 0.000 2.107 195 E HA -0.167 4.183 4.350 0.000 0.000 0.191 195 E C 1.876 178.449 176.600 -0.045 0.000 0.982 195 E CA 0.674 57.048 56.400 -0.043 0.000 0.809 195 E CB 0.003 29.679 29.700 -0.041 0.000 0.756 195 E HN 0.222 nan 8.360 nan 0.000 0.459 196 E N 0.551 120.724 120.200 -0.045 0.000 2.268 196 E HA -0.074 4.276 4.350 0.000 0.000 0.195 196 E C 1.995 178.561 176.600 -0.055 0.000 0.995 196 E CA 0.750 57.120 56.400 -0.049 0.000 0.836 196 E CB 0.031 29.703 29.700 -0.047 0.000 0.763 196 E HN -0.030 nan 8.360 nan 0.000 0.491 197 S N -1.070 114.600 115.700 -0.050 0.000 2.421 197 S HA 0.098 4.569 4.470 0.000 0.000 0.224 197 S C 1.686 176.255 174.600 -0.051 0.000 1.035 197 S CA 0.138 58.307 58.200 -0.051 0.000 0.953 197 S CB -0.078 63.098 63.200 -0.040 0.000 0.810 197 S HN 0.249 nan 8.310 nan 0.000 0.497 198 L N 1.419 122.615 121.223 -0.045 0.000 2.017 198 L HA -0.035 4.305 4.340 0.000 0.000 0.208 198 L C 0.778 177.617 176.870 -0.052 0.000 1.073 198 L CA 1.191 56.005 54.840 -0.043 0.000 0.745 198 L CB -0.322 41.715 42.059 -0.037 0.000 0.894 198 L HN 0.238 nan 8.230 nan 0.000 0.432 199 N N -0.051 118.614 118.700 -0.057 0.000 2.389 199 N HA 0.057 4.797 4.740 0.000 0.000 0.237 199 N C -0.515 174.949 175.510 -0.077 0.000 1.148 199 N CA 0.005 53.016 53.050 -0.066 0.000 0.854 199 N CB 0.112 38.561 38.487 -0.062 0.000 1.115 199 N HN 0.240 nan 8.380 nan 0.000 0.492 200 E N 0.092 120.242 120.200 -0.084 0.000 2.373 200 E HA 0.098 4.449 4.350 0.000 0.000 0.267 200 E C -0.229 176.299 176.600 -0.120 0.000 1.032 200 E CA -0.250 56.086 56.400 -0.106 0.000 0.889 200 E CB 1.228 30.860 29.700 -0.113 0.000 0.984 200 E HN -0.027 nan 8.360 nan 0.000 0.425 201 V N 2.897 122.728 119.914 -0.140 0.000 2.572 201 V HA 0.298 4.418 4.120 0.000 0.000 0.291 201 V C 0.810 176.789 176.094 -0.192 0.000 1.039 201 V CA 0.206 62.420 62.300 -0.144 0.000 1.055 201 V CB 1.075 32.817 31.823 -0.136 0.000 0.969 201 V HN 0.786 nan 8.190 nan 0.000 0.482 202 G N 2.124 110.823 108.800 -0.168 0.000 3.140 202 G HA2 0.438 4.399 3.960 0.000 0.000 0.271 202 G HA3 0.438 4.399 3.960 0.000 0.000 0.271 202 G C -0.033 174.776 174.900 -0.152 0.000 1.370 202 G CA -0.505 44.453 45.100 -0.237 0.000 1.014 202 G HN 0.595 nan 8.290 nan 0.000 0.541 203 Y N -0.511 119.767 120.300 -0.037 0.000 2.333 203 Y HA -0.099 4.451 4.550 -0.000 0.000 0.290 203 Y C 2.356 178.247 175.900 -0.015 0.000 1.144 203 Y CA 0.876 58.963 58.100 -0.021 0.000 1.228 203 Y CB 0.342 38.797 38.460 -0.009 0.000 0.985 203 Y HN 0.284 nan 8.280 nan 0.000 0.542 204 D N -0.157 120.316 120.400 0.121 0.000 2.219 204 D HA -0.141 4.499 4.640 0.000 0.000 0.205 204 D C 1.219 177.541 176.300 0.036 0.000 0.970 204 D CA 1.073 55.112 54.000 0.065 0.000 0.851 204 D CB -0.287 40.534 40.800 0.034 0.000 0.943 204 D HN 0.428 nan 8.370 nan 0.000 0.488 205 D N 0.027 120.438 120.400 0.017 0.000 2.355 205 D HA 0.005 4.645 4.640 0.000 0.000 0.218 205 D C 0.591 176.908 176.300 0.027 0.000 1.004 205 D CA 0.057 54.053 54.000 -0.007 0.000 0.880 205 D CB 0.740 41.511 40.800 -0.047 0.000 0.911 205 D HN 0.249 nan 8.370 nan 0.000 0.528 206 I N 0.206 120.812 120.570 0.060 0.000 2.355 206 I HA 0.461 4.631 4.170 0.000 0.000 0.288 206 I C -0.116 176.042 176.117 0.069 0.000 0.999 206 I CA -0.383 60.962 61.300 0.075 0.000 1.163 206 I CB 1.676 39.733 38.000 0.094 0.000 1.316 206 I HN -0.197 nan 8.210 nan 0.000 0.454 207 G N 3.932 112.770 108.800 0.064 0.000 2.454 207 G HA2 0.530 4.490 3.960 0.000 0.000 0.329 207 G HA3 0.530 4.490 3.960 0.000 0.000 0.329 207 G C 0.425 175.347 174.900 0.038 0.000 1.177 207 G CA -0.542 44.588 45.100 0.049 0.000 0.951 207 G HN 1.545 nan 8.290 nan 0.000 0.485 208 G N -1.530 107.285 108.800 0.025 0.000 2.198 208 G HA2 -0.256 3.704 3.960 0.000 0.000 0.260 208 G HA3 -0.256 3.704 3.960 0.000 0.000 0.260 208 G C 0.584 175.490 174.900 0.010 0.000 1.025 208 G CA 0.579 45.689 45.100 0.016 0.000 0.769 208 G HN 1.142 nan 8.290 nan 0.000 0.507 209 C N -0.618 118.688 119.300 0.010 0.000 3.626 209 C HA 0.323 4.783 4.460 0.000 0.000 0.276 209 C C 2.299 177.284 174.990 -0.009 0.000 1.694 209 C CA -0.005 59.014 59.018 0.003 0.000 1.785 209 C CB -0.517 27.232 27.740 0.015 0.000 3.152 209 C HN 0.645 nan 8.230 nan 0.000 0.571 210 R N 2.494 122.988 120.500 -0.010 0.000 2.143 210 R HA -0.231 4.110 4.340 0.000 0.000 0.239 210 R C 2.194 178.476 176.300 -0.029 0.000 1.126 210 R CA 2.196 58.283 56.100 -0.023 0.000 0.927 210 R CB -0.240 30.051 30.300 -0.014 0.000 0.860 210 R HN 0.648 nan 8.270 nan 0.000 0.433 211 K N 0.333 120.723 120.400 -0.017 0.000 2.280 211 K HA -0.176 4.144 4.320 0.000 0.000 0.202 211 K C 1.747 178.340 176.600 -0.012 0.000 1.047 211 K CA 1.521 57.800 56.287 -0.012 0.000 0.942 211 K CB -0.037 32.461 32.500 -0.004 0.000 0.739 211 K HN 0.215 nan 8.250 nan 0.000 0.457 212 Q N 1.016 120.807 119.800 -0.015 0.000 2.163 212 Q HA 0.158 4.498 4.340 0.000 0.000 0.198 212 Q C 2.105 178.096 176.000 -0.014 0.000 0.954 212 Q CA 0.658 56.455 55.803 -0.011 0.000 0.851 212 Q CB -0.024 28.706 28.738 -0.015 0.000 0.928 212 Q HN 0.210 nan 8.270 nan 0.000 0.459 213 L N 0.111 121.309 121.223 -0.041 0.000 2.131 213 L HA -0.158 4.182 4.340 0.000 0.000 0.210 213 L C 2.286 179.080 176.870 -0.126 0.000 1.092 213 L CA 0.928 55.704 54.840 -0.107 0.000 0.759 213 L CB -0.544 41.408 42.059 -0.178 0.000 0.903 213 L HN 0.260 nan 8.230 nan 0.000 0.435 214 A N -0.377 122.396 122.820 -0.078 0.000 1.883 214 A HA -0.275 4.046 4.320 0.000 0.000 0.217 214 A C 2.209 179.786 177.584 -0.012 0.000 1.186 214 A CA 1.690 53.697 52.037 -0.049 0.000 0.624 214 A CB -0.493 18.491 19.000 -0.026 0.000 0.822 214 A HN 0.463 nan 8.150 nan 0.000 0.444 215 Q N -0.758 119.044 119.800 0.004 0.000 2.084 215 Q HA -0.120 4.220 4.340 0.000 0.000 0.202 215 Q C 2.060 178.088 176.000 0.046 0.000 0.978 215 Q CA 1.534 57.357 55.803 0.032 0.000 0.844 215 Q CB -0.321 28.438 28.738 0.036 0.000 0.898 215 Q HN 0.755 nan 8.270 nan 0.000 0.426 216 I N 0.769 121.362 120.570 0.039 0.000 2.226 216 I HA -0.290 3.880 4.170 0.000 0.000 0.245 216 I C 2.176 178.338 176.117 0.076 0.000 1.100 216 I CA 1.250 62.594 61.300 0.074 0.000 1.374 216 I CB -0.172 37.890 38.000 0.103 0.000 1.057 216 I HN 0.093 nan 8.210 nan 0.000 0.413 217 K N 0.444 120.861 120.400 0.027 0.000 2.097 217 K HA -0.194 4.126 4.320 0.000 0.000 0.206 217 K C 2.014 178.669 176.600 0.092 0.000 1.049 217 K CA 1.373 57.688 56.287 0.048 0.000 0.933 217 K CB -0.151 32.339 32.500 -0.016 0.000 0.717 217 K HN 0.393 nan 8.250 nan 0.000 0.442 218 E N 0.384 120.635 120.200 0.085 0.000 2.072 218 E HA -0.120 4.231 4.350 0.000 0.000 0.191 218 E C 1.908 178.598 176.600 0.151 0.000 0.985 218 E CA 1.238 57.715 56.400 0.129 0.000 0.801 218 E CB 0.054 29.817 29.700 0.105 0.000 0.750 218 E HN 0.243 nan 8.360 nan 0.000 0.452 219 M N -0.588 119.071 119.600 0.098 0.000 2.476 219 M HA -0.044 4.436 4.480 0.000 0.000 0.262 219 M C 1.532 177.847 176.300 0.025 0.000 1.111 219 M CA 0.571 55.904 55.300 0.055 0.000 1.127 219 M CB 0.839 33.469 32.600 0.050 0.000 1.376 219 M HN -0.014 nan 8.290 nan 0.000 0.465 220 V N -2.131 117.824 119.914 0.069 0.000 3.029 220 V HA 0.061 4.181 4.120 0.000 0.000 0.230 220 V C 1.781 177.934 176.094 0.098 0.000 1.254 220 V CA 0.583 62.929 62.300 0.076 0.000 1.276 220 V CB -0.183 31.715 31.823 0.125 0.000 1.080 220 V HN 0.139 nan 8.190 nan 0.000 0.495 221 E N 0.813 121.090 120.200 0.129 0.000 2.046 221 E HA -0.142 4.208 4.350 0.000 0.000 0.190 221 E C 1.970 178.661 176.600 0.153 0.000 0.982 221 E CA 1.295 57.779 56.400 0.140 0.000 0.800 221 E CB -0.287 29.504 29.700 0.152 0.000 0.756 221 E HN 0.369 nan 8.360 nan 0.000 0.449 222 L N 0.429 121.770 121.223 0.196 0.000 2.017 222 L HA -0.057 4.283 4.340 0.000 0.000 0.208 222 L C -1.068 176.030 176.870 0.380 0.000 1.073 222 L CA 1.754 56.777 54.840 0.306 0.000 0.745 222 L CB -0.907 41.352 42.059 0.333 0.000 0.894 222 L HN 0.174 nan 8.230 nan 0.000 0.432 223 P HA -0.096 nan 4.420 nan 0.000 0.221 223 P C 1.831 179.172 177.300 0.068 0.000 1.150 223 P CA 1.278 64.362 63.100 -0.028 0.000 0.800 223 P CB 0.098 31.516 31.700 -0.470 0.000 0.787 224 L N -1.090 120.178 121.223 0.076 0.000 2.084 224 L HA 0.011 4.351 4.340 0.000 0.000 0.202 224 L C 2.432 179.321 176.870 0.031 0.000 1.074 224 L CA 1.244 56.125 54.840 0.068 0.000 0.757 224 L CB -0.395 41.704 42.059 0.068 0.000 0.918 224 L HN -0.194 nan 8.230 nan 0.000 0.444 225 R N -1.216 119.286 120.500 0.003 0.000 2.297 225 R HA 0.054 4.394 4.340 0.000 0.000 0.197 225 R C 0.049 176.130 176.300 -0.365 0.000 0.943 225 R CA 0.424 56.425 56.100 -0.166 0.000 1.038 225 R CB 0.228 30.415 30.300 -0.189 0.000 0.957 225 R HN 0.377 nan 8.270 nan 0.000 0.484 226 H N -0.291 118.860 119.070 0.135 0.000 2.825 226 H HA 0.155 4.711 4.556 -0.000 0.000 0.226 226 H C -1.943 173.527 175.328 0.236 0.000 1.414 226 H CA -1.579 54.557 56.048 0.147 0.000 1.198 226 H CB 1.177 31.014 29.762 0.125 0.000 2.013 226 H HN 0.041 nan 8.280 nan 0.000 0.530 227 P HA -0.080 nan 4.420 nan 0.000 0.225 227 P C 1.510 179.000 177.300 0.317 0.000 1.148 227 P CA 0.801 64.105 63.100 0.339 0.000 0.779 227 P CB 0.334 32.198 31.700 0.275 0.000 0.780 228 A N 0.650 123.610 122.820 0.233 0.000 1.908 228 A HA -0.181 4.139 4.320 0.000 0.000 0.218 228 A C 2.386 180.043 177.584 0.122 0.000 1.181 228 A CA 1.446 53.579 52.037 0.159 0.000 0.627 228 A CB -1.624 17.450 19.000 0.124 0.000 0.818 228 A HN 0.149 nan 8.150 nan 0.000 0.445 229 L N -2.005 119.272 121.223 0.090 0.000 2.013 229 L HA -0.240 4.100 4.340 0.000 0.000 0.212 229 L C 2.570 179.354 176.870 -0.142 0.000 1.073 229 L CA 1.837 56.616 54.840 -0.102 0.000 0.753 229 L CB -0.584 41.295 42.059 -0.299 0.000 0.890 229 L HN 0.459 nan 8.230 nan 0.000 0.432 230 F N -0.543 119.439 119.950 0.054 0.000 2.146 230 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 230 F C 2.644 178.469 175.800 0.042 0.000 1.096 230 F CA 1.129 59.157 58.000 0.047 0.000 1.275 230 F CB -0.363 38.668 39.000 0.051 0.000 1.008 230 F HN -0.096 nan 8.300 nan 0.000 0.480 231 K N 0.767 121.305 120.400 0.229 0.000 2.057 231 K HA -0.044 4.276 4.320 0.000 0.000 0.206 231 K C 2.203 178.854 176.600 0.086 0.000 1.050 231 K CA 1.218 57.589 56.287 0.140 0.000 0.935 231 K CB -0.598 31.979 32.500 0.128 0.000 0.715 231 K HN 0.233 nan 8.250 nan 0.000 0.439 232 A N 0.825 123.682 122.820 0.062 0.000 1.898 232 A HA -0.091 4.230 4.320 0.000 0.000 0.216 232 A C 2.191 179.782 177.584 0.011 0.000 1.181 232 A CA 1.130 53.183 52.037 0.027 0.000 0.620 232 A CB -0.411 18.594 19.000 0.008 0.000 0.819 232 A HN 0.327 nan 8.150 nan 0.000 0.442 233 I N -0.945 119.622 120.570 -0.005 0.000 3.291 233 I HA 0.100 4.270 4.170 0.000 0.000 0.279 233 I C 1.355 177.488 176.117 0.025 0.000 1.294 233 I CA 0.948 62.239 61.300 -0.014 0.000 1.428 233 I CB -0.044 37.912 38.000 -0.072 0.000 1.070 233 I HN 0.488 nan 8.210 nan 0.000 0.478 234 G N 1.021 109.853 108.800 0.054 0.000 2.182 234 G HA2 -0.212 3.748 3.960 0.000 0.000 0.248 234 G HA3 -0.212 3.748 3.960 0.000 0.000 0.248 234 G C -0.087 174.866 174.900 0.089 0.000 1.042 234 G CA 0.248 45.387 45.100 0.065 0.000 0.775 234 G HN 0.240 nan 8.290 nan 0.000 0.501 235 V N -0.144 119.851 119.914 0.134 0.000 2.588 235 V HA 0.523 4.643 4.120 0.000 0.000 0.304 235 V C 0.398 176.621 176.094 0.215 0.000 1.042 235 V CA -1.041 61.364 62.300 0.175 0.000 0.877 235 V CB 1.895 33.834 31.823 0.193 0.000 0.996 235 V HN 0.325 nan 8.190 nan 0.000 0.425 236 K N 6.447 126.931 120.400 0.139 0.000 2.297 236 K HA 0.387 4.707 4.320 0.000 0.000 0.286 236 K C -2.341 174.246 176.600 -0.021 0.000 1.053 236 K CA -1.229 55.093 56.287 0.059 0.000 0.940 236 K CB 0.811 33.336 32.500 0.041 0.000 1.019 236 K HN 0.442 nan 8.250 nan 0.000 0.475 237 P HA 0.171 nan 4.420 nan 0.000 0.276 237 P C -2.590 174.541 177.300 -0.282 0.000 1.230 237 P CA -1.369 61.467 63.100 -0.440 0.000 0.776 237 P CB 0.273 31.558 31.700 -0.692 0.000 0.888 238 P HA 0.093 nan 4.420 nan 0.000 0.266 238 P C 0.688 177.860 177.300 -0.214 0.000 1.195 238 P CA 0.042 63.013 63.100 -0.215 0.000 0.768 238 P CB 0.419 32.035 31.700 -0.141 0.000 0.838 239 R N 1.401 121.761 120.500 -0.233 0.000 2.535 239 R HA 0.379 4.719 4.340 0.000 0.000 0.323 239 R C 0.128 176.275 176.300 -0.255 0.000 0.979 239 R CA -0.295 55.674 56.100 -0.218 0.000 1.120 239 R CB 0.380 30.553 30.300 -0.212 0.000 1.306 239 R HN 0.467 nan 8.270 nan 0.000 0.540 240 G N 2.114 110.757 108.800 -0.261 0.000 2.753 240 G HA2 0.487 4.447 3.960 0.000 0.000 0.282 240 G HA3 0.487 4.447 3.960 0.000 0.000 0.282 240 G C -1.082 173.835 174.900 0.029 0.000 1.512 240 G CA -0.484 44.425 45.100 -0.319 0.000 1.076 240 G HN 0.058 nan 8.290 nan 0.000 0.545 241 I N 2.990 123.664 120.570 0.173 0.000 2.355 241 I HA 0.375 4.545 4.170 0.000 0.000 0.288 241 I C -0.519 175.721 176.117 0.205 0.000 0.999 241 I CA -1.617 59.787 61.300 0.173 0.000 1.163 241 I CB 1.302 39.359 38.000 0.096 0.000 1.316 241 I HN 0.295 nan 8.210 nan 0.000 0.454 242 L N 7.729 129.057 121.223 0.175 0.000 2.272 242 L HA 0.491 4.831 4.340 0.000 0.000 0.289 242 L C -0.590 176.350 176.870 0.116 0.000 1.032 242 L CA -0.135 54.729 54.840 0.040 0.000 0.810 242 L CB 0.799 42.858 42.059 0.002 0.000 1.205 242 L HN 0.371 nan 8.230 nan 0.000 0.422 243 L N 6.775 128.035 121.223 0.062 0.000 2.276 243 L HA 0.414 4.754 4.340 0.000 0.000 0.286 243 L C -0.564 176.386 176.870 0.133 0.000 1.061 243 L CA -0.698 54.195 54.840 0.089 0.000 0.807 243 L CB 0.344 42.469 42.059 0.111 0.000 1.177 243 L HN 0.660 nan 8.230 nan 0.000 0.429 244 Y N 1.159 121.468 120.300 0.015 0.000 2.659 244 Y HA 0.996 5.546 4.550 -0.000 0.000 0.333 244 Y C 0.148 176.062 175.900 0.023 0.000 1.064 244 Y CA -0.942 57.163 58.100 0.009 0.000 1.141 244 Y CB 2.084 40.542 38.460 -0.004 0.000 1.316 244 Y HN 0.671 nan 8.280 nan 0.000 0.509 245 G N 0.141 108.989 108.800 0.081 0.000 2.353 245 G HA2 0.327 4.287 3.960 0.000 0.000 0.308 245 G HA3 0.327 4.287 3.960 0.000 0.000 0.308 245 G C -3.529 171.404 174.900 0.055 0.000 1.418 245 G CA -1.307 43.789 45.100 -0.006 0.000 0.966 245 G HN 0.527 nan 8.290 nan 0.000 0.638 246 P HA 0.298 nan 4.420 nan 0.000 0.271 246 P C -2.411 174.902 177.300 0.023 0.000 1.244 246 P CA -0.771 62.349 63.100 0.032 0.000 0.793 246 P CB -0.063 31.648 31.700 0.019 0.000 0.984 247 P HA 0.047 nan 4.420 nan 0.000 0.265 247 P C 0.736 178.039 177.300 0.005 0.000 1.193 247 P CA 1.297 64.405 63.100 0.013 0.000 0.765 247 P CB -0.082 31.622 31.700 0.006 0.000 0.823 248 G N 2.200 111.006 108.800 0.009 0.000 2.176 248 G HA2 -0.287 3.673 3.960 0.000 0.000 0.252 248 G HA3 -0.287 3.673 3.960 0.000 0.000 0.252 248 G C 0.825 175.728 174.900 0.004 0.000 1.024 248 G CA 0.650 45.752 45.100 0.004 0.000 0.755 248 G HN 0.597 nan 8.290 nan 0.000 0.507 249 T N -3.498 111.062 114.554 0.009 0.000 3.035 249 T HA 0.435 4.785 4.350 0.000 0.000 0.259 249 T C 1.990 176.699 174.700 0.015 0.000 1.078 249 T CA 1.567 63.671 62.100 0.007 0.000 1.132 249 T CB 0.532 69.398 68.868 -0.003 0.000 0.900 249 T HN 2.011 nan 8.240 nan 0.000 0.480 250 G N 0.804 109.618 108.800 0.023 0.000 2.407 250 G HA2 -0.085 3.875 3.960 0.000 0.000 0.210 250 G HA3 -0.085 3.875 3.960 0.000 0.000 0.210 250 G C 0.619 175.543 174.900 0.040 0.000 1.015 250 G CA 0.050 45.169 45.100 0.032 0.000 0.807 250 G HN 0.436 nan 8.290 nan 0.000 0.539 251 K N 0.078 120.510 120.400 0.054 0.000 2.001 251 K HA 0.002 4.322 4.320 0.000 0.000 0.208 251 K C 2.498 179.142 176.600 0.073 0.000 1.048 251 K CA 1.886 58.233 56.287 0.101 0.000 0.932 251 K CB -0.304 32.276 32.500 0.134 0.000 0.715 251 K HN 0.204 nan 8.250 nan 0.000 0.437 252 T N 1.960 116.532 114.554 0.029 0.000 2.788 252 T HA -0.115 4.235 4.350 0.000 0.000 0.268 252 T C 1.795 176.428 174.700 -0.111 0.000 1.044 252 T CA 0.933 62.998 62.100 -0.057 0.000 1.139 252 T CB -0.212 68.644 68.868 -0.020 0.000 0.867 252 T HN 0.056 nan 8.240 nan 0.000 0.454 253 L N 0.723 121.915 121.223 -0.051 0.000 2.042 253 L HA 0.004 4.344 4.340 0.000 0.000 0.210 253 L C 2.158 178.987 176.870 -0.068 0.000 1.076 253 L CA 1.528 56.337 54.840 -0.052 0.000 0.749 253 L CB -0.445 41.615 42.059 0.001 0.000 0.893 253 L HN 0.244 nan 8.230 nan 0.000 0.432 254 I N -0.830 119.727 120.570 -0.021 0.000 2.226 254 I HA -0.307 3.863 4.170 0.000 0.000 0.245 254 I C 2.598 178.669 176.117 -0.077 0.000 1.100 254 I CA 1.137 62.454 61.300 0.027 0.000 1.374 254 I CB -0.596 37.472 38.000 0.113 0.000 1.057 254 I HN 0.345 nan 8.210 nan 0.000 0.413 255 A N 0.795 123.451 122.820 -0.275 0.000 1.903 255 A HA -0.252 4.068 4.320 0.000 0.000 0.219 255 A C 2.372 179.652 177.584 -0.506 0.000 1.191 255 A CA 1.714 53.334 52.037 -0.696 0.000 0.638 255 A CB -0.503 17.734 19.000 -1.273 0.000 0.823 255 A HN 0.250 nan 8.150 nan 0.000 0.451 256 R N -0.584 119.693 120.500 -0.372 0.000 2.075 256 R HA -0.022 4.318 4.340 0.000 0.000 0.232 256 R C 2.474 178.541 176.300 -0.387 0.000 1.126 256 R CA 1.452 57.339 56.100 -0.355 0.000 0.963 256 R CB -1.342 28.820 30.300 -0.230 0.000 0.858 256 R HN 0.553 nan 8.270 nan 0.000 0.435 257 A N 0.651 123.284 122.820 -0.312 0.000 1.858 257 A HA -0.104 4.216 4.320 0.000 0.000 0.216 257 A C 2.484 179.737 177.584 -0.552 0.000 1.190 257 A CA 1.616 53.418 52.037 -0.391 0.000 0.617 257 A CB -0.735 18.113 19.000 -0.254 0.000 0.827 257 A HN 0.090 nan 8.150 nan 0.000 0.443 258 V N 0.066 119.773 119.914 -0.346 0.000 2.332 258 V HA -0.292 3.828 4.120 0.000 0.000 0.248 258 V C 3.047 178.859 176.094 -0.469 0.000 1.055 258 V CA 2.003 64.180 62.300 -0.204 0.000 1.038 258 V CB -1.268 30.648 31.823 0.155 0.000 0.651 258 V HN 0.629 nan 8.190 nan 0.000 0.450 259 A N 0.266 122.501 122.820 -0.975 0.000 1.940 259 A HA -0.268 4.052 4.320 0.000 0.000 0.219 259 A C 1.971 179.166 177.584 -0.648 0.000 1.176 259 A CA 2.406 53.585 52.037 -1.431 0.000 0.631 259 A CB -0.707 17.364 19.000 -1.548 0.000 0.814 259 A HN 0.730 nan 8.150 nan 0.000 0.446 260 N N -1.241 117.162 118.700 -0.496 0.000 2.392 260 N HA 0.018 4.758 4.740 0.000 0.000 0.177 260 N C 1.193 176.532 175.510 -0.285 0.000 1.066 260 N CA 0.537 53.385 53.050 -0.337 0.000 0.895 260 N CB 0.212 38.519 38.487 -0.300 0.000 0.988 260 N HN 0.429 nan 8.380 nan 0.000 0.457 261 E N 0.324 120.309 120.200 -0.357 0.000 2.473 261 E HA 0.019 4.369 4.350 0.000 0.000 0.204 261 E C 0.321 176.864 176.600 -0.094 0.000 0.994 261 E CA 0.300 56.520 56.400 -0.299 0.000 0.945 261 E CB 0.649 29.925 29.700 -0.707 0.000 0.990 261 E HN 0.322 nan 8.360 nan 0.000 0.493 262 T N -2.230 112.288 114.554 -0.059 0.000 2.904 262 T HA 0.338 4.688 4.350 0.000 0.000 0.290 262 T C 1.298 176.031 174.700 0.056 0.000 1.018 262 T CA -0.141 61.995 62.100 0.060 0.000 1.075 262 T CB 1.834 70.778 68.868 0.126 0.000 0.986 262 T HN -0.015 nan 8.240 nan 0.000 0.523 263 G N 0.627 109.473 108.800 0.077 0.000 2.484 263 G HA2 0.334 4.294 3.960 0.000 0.000 0.218 263 G HA3 0.334 4.294 3.960 0.000 0.000 0.218 263 G C 0.702 175.661 174.900 0.098 0.000 1.130 263 G CA 0.136 45.278 45.100 0.070 0.000 0.784 263 G HN 1.191 nan 8.290 nan 0.000 0.543 264 A N 0.044 122.940 122.820 0.127 0.000 2.407 264 A HA 0.518 4.838 4.320 0.000 0.000 0.248 264 A C -0.210 177.519 177.584 0.243 0.000 1.082 264 A CA -0.756 51.386 52.037 0.175 0.000 0.785 264 A CB 0.193 19.298 19.000 0.175 0.000 1.020 264 A HN 0.344 nan 8.150 nan 0.000 0.489 265 F N 1.623 121.637 119.950 0.108 0.000 2.607 265 F HA 0.369 4.896 4.527 0.000 0.000 0.374 265 F C -0.516 175.412 175.800 0.213 0.000 1.104 265 F CA 0.311 58.394 58.000 0.138 0.000 1.296 265 F CB 0.083 39.142 39.000 0.098 0.000 1.085 265 F HN 0.425 nan 8.300 nan 0.000 0.584 266 F N 7.658 127.217 119.950 -0.650 0.000 2.518 266 F HA 0.479 5.006 4.527 -0.000 0.000 0.323 266 F C -1.831 173.589 175.800 -0.633 0.000 1.129 266 F CA -0.965 56.765 58.000 -0.449 0.000 0.920 266 F CB 1.015 39.867 39.000 -0.247 0.000 1.160 266 F HN 0.383 nan 8.300 nan 0.000 0.440 267 F N 7.611 127.106 119.950 -0.758 0.000 2.499 267 F HA 0.535 5.061 4.527 -0.000 0.000 0.333 267 F C -1.608 173.971 175.800 -0.367 0.000 1.138 267 F CA -0.957 56.770 58.000 -0.455 0.000 0.945 267 F CB 1.252 40.069 39.000 -0.304 0.000 1.181 267 F HN 0.386 nan 8.300 nan 0.000 0.435 268 L N 6.884 127.975 121.223 -0.221 0.000 2.312 268 L HA 0.634 4.974 4.340 0.000 0.000 0.281 268 L C -1.099 175.825 176.870 0.090 0.000 1.070 268 L CA -0.108 54.748 54.840 0.026 0.000 0.805 268 L CB 0.870 42.988 42.059 0.099 0.000 1.174 268 L HN 0.505 nan 8.230 nan 0.000 0.434 269 I N 5.004 125.696 120.570 0.203 0.000 2.439 269 I HA 0.346 4.516 4.170 0.000 0.000 0.285 269 I C -0.741 175.480 176.117 0.172 0.000 1.021 269 I CA -0.660 60.767 61.300 0.211 0.000 1.091 269 I CB 1.390 39.531 38.000 0.235 0.000 1.242 269 I HN 0.560 nan 8.210 nan 0.000 0.439 270 N N 4.433 123.209 118.700 0.127 0.000 2.455 270 N HA 0.191 4.931 4.740 0.000 0.000 0.280 270 N C 0.994 176.561 175.510 0.094 0.000 1.055 270 N CA -0.030 53.085 53.050 0.108 0.000 0.961 270 N CB 2.229 40.760 38.487 0.074 0.000 1.121 270 N HN 0.830 nan 8.380 nan 0.000 0.476 271 G N 3.342 112.193 108.800 0.084 0.000 2.514 271 G HA2 -0.200 3.761 3.960 0.000 0.000 0.217 271 G HA3 -0.200 3.761 3.960 0.000 0.000 0.217 271 G C -0.929 174.003 174.900 0.054 0.000 1.198 271 G CA 0.886 46.025 45.100 0.064 0.000 0.780 271 G HN 0.479 nan 8.290 nan 0.000 0.565 272 P HA -0.035 nan 4.420 nan 0.000 0.218 272 P C 1.769 179.093 177.300 0.040 0.000 1.148 272 P CA 1.027 64.150 63.100 0.038 0.000 0.822 272 P CB 0.043 31.763 31.700 0.032 0.000 0.784 273 E N -0.534 119.694 120.200 0.047 0.000 2.070 273 E HA -0.188 4.162 4.350 0.000 0.000 0.197 273 E C 1.893 178.527 176.600 0.056 0.000 1.004 273 E CA 1.205 57.635 56.400 0.049 0.000 0.805 273 E CB -0.447 29.287 29.700 0.056 0.000 0.744 273 E HN 0.163 nan 8.360 nan 0.000 0.451 274 I N 0.673 121.282 120.570 0.066 0.000 2.233 274 I HA -0.218 3.952 4.170 0.000 0.000 0.243 274 I C 2.246 178.394 176.117 0.051 0.000 1.093 274 I CA 0.933 62.273 61.300 0.068 0.000 1.380 274 I CB -0.819 37.229 38.000 0.080 0.000 1.067 274 I HN 0.168 nan 8.210 nan 0.000 0.413 275 M N 0.485 120.112 119.600 0.044 0.000 2.557 275 M HA -0.050 4.430 4.480 0.000 0.000 0.259 275 M C 2.346 178.663 176.300 0.030 0.000 1.086 275 M CA 0.950 56.271 55.300 0.035 0.000 1.096 275 M CB -1.499 31.119 32.600 0.031 0.000 1.424 275 M HN 0.344 nan 8.290 nan 0.000 0.488 276 S N -0.291 115.427 115.700 0.031 0.000 2.453 276 S HA 0.011 4.481 4.470 0.000 0.000 0.231 276 S C 0.950 175.566 174.600 0.026 0.000 1.005 276 S CA 0.255 58.471 58.200 0.026 0.000 0.949 276 S CB 0.063 63.278 63.200 0.026 0.000 0.774 276 S HN 0.382 nan 8.310 nan 0.000 0.510 277 K N 1.003 121.422 120.400 0.031 0.000 2.098 277 K HA 0.397 4.717 4.320 0.000 0.000 0.261 277 K C -0.207 176.409 176.600 0.027 0.000 0.987 277 K CA -0.614 55.691 56.287 0.031 0.000 0.916 277 K CB 0.973 33.496 32.500 0.039 0.000 1.039 277 K HN 0.238 nan 8.250 nan 0.000 0.455 278 L N 1.838 123.076 121.223 0.024 0.000 2.554 278 L HA -0.109 4.231 4.340 0.000 0.000 0.293 278 L C 0.593 177.475 176.870 0.020 0.000 1.252 278 L CA -0.118 54.734 54.840 0.020 0.000 0.862 278 L CB 0.177 42.247 42.059 0.018 0.000 1.113 278 L HN 0.770 nan 8.230 nan 0.000 0.510 279 A N 3.096 125.926 122.820 0.017 0.000 2.573 279 A HA 0.316 4.636 4.320 0.000 0.000 0.250 279 A C 1.280 178.872 177.584 0.013 0.000 1.049 279 A CA 0.796 52.841 52.037 0.015 0.000 0.767 279 A CB -0.593 18.415 19.000 0.012 0.000 0.965 279 A HN 1.172 nan 8.150 nan 0.000 0.514 280 G N 1.514 110.322 108.800 0.013 0.000 2.579 280 G HA2 -0.328 3.632 3.960 0.000 0.000 0.222 280 G HA3 -0.328 3.632 3.960 0.000 0.000 0.222 280 G C 1.134 176.043 174.900 0.016 0.000 1.201 280 G CA 0.738 45.845 45.100 0.011 0.000 0.710 280 G HN 0.831 nan 8.290 nan 0.000 0.516 281 E N 1.279 121.491 120.200 0.020 0.000 2.265 281 E HA -0.094 4.256 4.350 0.000 0.000 0.196 281 E C 2.551 179.172 176.600 0.035 0.000 0.996 281 E CA 1.793 58.209 56.400 0.027 0.000 0.832 281 E CB -0.109 29.607 29.700 0.027 0.000 0.756 281 E HN 0.715 nan 8.360 nan 0.000 0.491 282 S N 0.036 115.756 115.700 0.033 0.000 2.388 282 S HA -0.052 4.418 4.470 0.000 0.000 0.223 282 S C 1.724 176.347 174.600 0.038 0.000 1.034 282 S CA 0.435 58.660 58.200 0.041 0.000 0.963 282 S CB -0.117 63.107 63.200 0.039 0.000 0.827 282 S HN 0.132 nan 8.310 nan 0.000 0.481 283 E N 1.901 122.114 120.200 0.022 0.000 2.110 283 E HA -0.053 4.297 4.350 0.000 0.000 0.193 283 E C 2.180 178.785 176.600 0.009 0.000 0.988 283 E CA 1.104 57.509 56.400 0.008 0.000 0.804 283 E CB -0.333 29.364 29.700 -0.005 0.000 0.745 283 E HN 0.496 nan 8.360 nan 0.000 0.458 284 S N -0.117 115.594 115.700 0.018 0.000 2.383 284 S HA -0.116 4.354 4.470 0.000 0.000 0.227 284 S C 1.639 176.263 174.600 0.041 0.000 1.026 284 S CA 1.372 59.586 58.200 0.022 0.000 0.981 284 S CB -0.233 62.981 63.200 0.023 0.000 0.818 284 S HN 0.267 nan 8.310 nan 0.000 0.472 285 N N 0.548 119.284 118.700 0.060 0.000 2.244 285 N HA 0.062 4.802 4.740 0.000 0.000 0.183 285 N C 1.726 177.299 175.510 0.106 0.000 1.016 285 N CA 0.941 54.048 53.050 0.094 0.000 0.866 285 N CB -0.119 38.434 38.487 0.111 0.000 0.980 285 N HN 0.306 nan 8.380 nan 0.000 0.430 286 L N 0.806 122.084 121.223 0.092 0.000 1.994 286 L HA -0.152 4.188 4.340 0.000 0.000 0.208 286 L C 2.629 179.563 176.870 0.107 0.000 1.071 286 L CA 1.102 56.012 54.840 0.117 0.000 0.745 286 L CB -0.287 41.806 42.059 0.057 0.000 0.892 286 L HN 0.199 nan 8.230 nan 0.000 0.431 287 R N 0.409 120.925 120.500 0.027 0.000 2.113 287 R HA -0.291 4.049 4.340 0.000 0.000 0.244 287 R C 2.351 178.669 176.300 0.029 0.000 1.142 287 R CA 2.318 58.421 56.100 0.005 0.000 0.953 287 R CB -0.205 30.088 30.300 -0.012 0.000 0.860 287 R HN 0.237 nan 8.270 nan 0.000 0.438 288 K N -0.388 120.020 120.400 0.012 0.000 2.057 288 K HA -0.124 4.197 4.320 0.000 0.000 0.207 288 K C 1.961 178.445 176.600 -0.193 0.000 1.049 288 K CA 1.396 57.666 56.287 -0.029 0.000 0.931 288 K CB -0.172 32.346 32.500 0.031 0.000 0.714 288 K HN 0.271 nan 8.250 nan 0.000 0.440 289 A N 0.488 123.132 122.820 -0.294 0.000 1.883 289 A HA -0.161 4.159 4.320 0.000 0.000 0.217 289 A C 1.950 179.208 177.584 -0.544 0.000 1.186 289 A CA 1.503 53.022 52.037 -0.863 0.000 0.624 289 A CB -0.821 17.910 19.000 -0.448 0.000 0.822 289 A HN 0.370 nan 8.150 nan 0.000 0.444 290 F N 0.038 119.813 119.950 -0.292 0.000 2.206 290 F HA -0.035 4.492 4.527 -0.000 0.000 0.298 290 F C 2.453 178.167 175.800 -0.143 0.000 1.090 290 F CA 1.616 59.510 58.000 -0.176 0.000 1.323 290 F CB -0.270 38.662 39.000 -0.114 0.000 1.028 290 F HN 0.313 nan 8.300 nan 0.000 0.492 291 E N -0.237 119.987 120.200 0.039 0.000 2.072 291 E HA -0.236 4.115 4.350 0.000 0.000 0.191 291 E C 1.961 178.522 176.600 -0.064 0.000 0.985 291 E CA 1.283 57.678 56.400 -0.010 0.000 0.801 291 E CB -0.176 29.517 29.700 -0.011 0.000 0.750 291 E HN 0.315 nan 8.360 nan 0.000 0.452 292 E N 0.934 121.061 120.200 -0.122 0.000 2.051 292 E HA -0.187 4.163 4.350 0.000 0.000 0.192 292 E C 1.903 178.457 176.600 -0.077 0.000 0.991 292 E CA 1.395 57.733 56.400 -0.103 0.000 0.799 292 E CB -0.139 29.490 29.700 -0.117 0.000 0.748 292 E HN 0.249 nan 8.360 nan 0.000 0.449 293 A N 0.442 123.242 122.820 -0.034 0.000 1.902 293 A HA -0.209 4.111 4.320 0.000 0.000 0.217 293 A C 2.082 179.654 177.584 -0.020 0.000 1.181 293 A CA 1.716 53.805 52.037 0.087 0.000 0.623 293 A CB -0.605 18.369 19.000 -0.045 0.000 0.818 293 A HN 0.320 nan 8.150 nan 0.000 0.443 294 E N -0.500 119.671 120.200 -0.047 0.000 2.085 294 E HA -0.213 4.137 4.350 0.000 0.000 0.194 294 E C 2.120 178.686 176.600 -0.057 0.000 0.994 294 E CA 1.393 57.775 56.400 -0.029 0.000 0.801 294 E CB -0.084 29.612 29.700 -0.007 0.000 0.743 294 E HN 0.582 nan 8.360 nan 0.000 0.453 295 K N 0.700 121.040 120.400 -0.100 0.000 2.026 295 K HA -0.108 4.212 4.320 0.000 0.000 0.208 295 K C 0.152 176.635 176.600 -0.195 0.000 1.048 295 K CA 1.041 57.251 56.287 -0.130 0.000 0.929 295 K CB -0.013 32.405 32.500 -0.137 0.000 0.713 295 K HN 0.008 nan 8.250 nan 0.000 0.439 296 N N 0.984 119.479 118.700 -0.341 0.000 3.124 296 N HA 0.128 4.868 4.740 0.000 0.000 0.284 296 N C 0.227 175.626 175.510 -0.184 0.000 1.209 296 N CA 0.225 53.009 53.050 -0.443 0.000 1.149 296 N CB 0.934 38.703 38.487 -1.198 0.000 1.434 296 N HN 0.221 nan 8.380 nan 0.000 0.529 297 A N 2.706 125.466 122.820 -0.100 0.000 2.033 297 A HA -0.229 4.091 4.320 0.000 0.000 0.282 297 A C -1.323 176.278 177.584 0.028 0.000 2.983 297 A CA 1.382 53.404 52.037 -0.025 0.000 0.987 297 A CB -1.995 16.980 19.000 -0.042 0.000 0.716 297 A HN 0.376 nan 8.150 nan 0.000 0.495 298 P HA 0.597 nan 4.420 nan 0.000 0.292 298 P C -0.865 176.522 177.300 0.144 0.000 1.326 298 P CA 0.523 63.665 63.100 0.071 0.000 0.787 298 P CB 1.344 33.053 31.700 0.015 0.000 0.903 299 A N 3.928 126.840 122.820 0.154 0.000 2.556 299 A HA 0.806 5.127 4.320 0.000 0.000 0.294 299 A C -1.188 176.450 177.584 0.089 0.000 1.091 299 A CA -0.737 51.432 52.037 0.220 0.000 0.704 299 A CB 1.149 20.368 19.000 0.364 0.000 1.300 299 A HN 0.408 nan 8.150 nan 0.000 0.406 300 I N 1.510 122.097 120.570 0.028 0.000 2.389 300 I HA 0.371 4.541 4.170 0.000 0.000 0.288 300 I C -0.861 175.049 176.117 -0.345 0.000 0.999 300 I CA -0.234 60.999 61.300 -0.113 0.000 1.129 300 I CB 1.671 39.663 38.000 -0.013 0.000 1.288 300 I HN 0.462 nan 8.210 nan 0.000 0.444 301 I N 6.018 126.405 120.570 -0.304 0.000 2.315 301 I HA 0.260 4.430 4.170 0.000 0.000 0.291 301 I C -0.703 175.256 176.117 -0.264 0.000 1.006 301 I CA -0.306 60.792 61.300 -0.337 0.000 1.265 301 I CB 0.889 38.609 38.000 -0.468 0.000 1.387 301 I HN 0.432 nan 8.210 nan 0.000 0.475 302 F N 7.593 127.293 119.950 -0.417 0.000 2.361 302 F HA 0.508 5.034 4.527 -0.000 0.000 0.364 302 F C -0.010 175.768 175.800 -0.035 0.000 1.117 302 F CA -0.550 57.335 58.000 -0.191 0.000 1.071 302 F CB 0.779 39.691 39.000 -0.147 0.000 1.188 302 F HN 0.269 nan 8.300 nan 0.000 0.464 303 I N 5.260 125.748 120.570 -0.137 0.000 2.282 303 I HA 0.139 4.309 4.170 0.000 0.000 0.290 303 I C -0.338 175.783 176.117 0.007 0.000 1.090 303 I CA -0.396 60.907 61.300 0.005 0.000 1.231 303 I CB 0.197 38.203 38.000 0.009 0.000 1.434 303 I HN 0.431 nan 8.210 nan 0.000 0.487 304 D N 6.564 127.143 120.400 0.299 0.000 2.304 304 D HA 0.104 4.744 4.640 0.000 0.000 0.250 304 D C 0.169 176.556 176.300 0.146 0.000 1.107 304 D CA 0.251 54.451 54.000 0.333 0.000 0.885 304 D CB 0.690 41.705 40.800 0.359 0.000 1.192 304 D HN 0.505 nan 8.370 nan 0.000 0.436 305 E N 1.547 121.810 120.200 0.105 0.000 2.257 305 E HA -0.237 4.113 4.350 0.000 0.000 0.217 305 E C 0.700 177.307 176.600 0.012 0.000 1.248 305 E CA -0.159 56.272 56.400 0.051 0.000 0.691 305 E CB -1.078 28.656 29.700 0.057 0.000 1.185 305 E HN 0.384 nan 8.360 nan 0.000 0.377 306 L N 1.790 122.988 121.223 -0.042 0.000 2.079 306 L HA -0.204 4.136 4.340 0.000 0.000 0.210 306 L C 2.226 179.063 176.870 -0.054 0.000 1.081 306 L CA 2.697 57.484 54.840 -0.089 0.000 0.752 306 L CB -0.269 41.646 42.059 -0.239 0.000 0.896 306 L HN 0.454 nan 8.230 nan 0.000 0.433 307 D N -0.469 119.906 120.400 -0.042 0.000 2.228 307 D HA -0.259 4.381 4.640 0.000 0.000 0.203 307 D C 1.854 178.152 176.300 -0.004 0.000 0.988 307 D CA 1.300 55.287 54.000 -0.023 0.000 0.864 307 D CB -0.282 40.511 40.800 -0.013 0.000 0.928 307 D HN 0.495 nan 8.370 nan 0.000 0.469 308 A N 1.310 124.133 122.820 0.005 0.000 1.969 308 A HA -0.007 4.314 4.320 0.000 0.000 0.218 308 A C 2.465 180.061 177.584 0.019 0.000 1.169 308 A CA 1.476 53.523 52.037 0.017 0.000 0.635 308 A CB -0.643 18.372 19.000 0.025 0.000 0.810 308 A HN 0.514 nan 8.150 nan 0.000 0.445 309 I N -5.520 115.060 120.570 0.017 0.000 3.708 309 I HA 0.515 4.685 4.170 0.000 0.000 0.302 309 I C 1.089 177.216 176.117 0.017 0.000 1.255 309 I CA 0.696 62.011 61.300 0.024 0.000 1.362 309 I CB 0.608 38.632 38.000 0.040 0.000 1.100 309 I HN 0.100 nan 8.210 nan 0.000 0.434 310 A N 3.102 125.924 122.820 0.004 0.000 3.248 310 A HA 0.622 4.942 4.320 0.000 0.000 0.315 310 A C -2.681 174.901 177.584 -0.004 0.000 0.974 310 A CA -1.247 50.791 52.037 0.003 0.000 0.939 310 A CB -0.600 18.404 19.000 0.006 0.000 1.061 310 A HN 0.159 nan 8.150 nan 0.000 0.481 311 P HA 0.206 nan 4.420 nan 0.000 0.277 311 P C -0.589 176.712 177.300 0.001 0.000 1.271 311 P CA -0.441 62.660 63.100 0.001 0.000 0.795 311 P CB 0.607 32.313 31.700 0.010 0.000 1.101 312 K N 1.009 121.408 120.400 -0.002 0.000 2.395 312 K HA 0.025 4.345 4.320 0.000 0.000 0.283 312 K C 1.510 178.105 176.600 -0.008 0.000 1.068 312 K CA 0.296 56.580 56.287 -0.005 0.000 1.039 312 K CB 0.021 32.517 32.500 -0.006 0.000 0.924 312 K HN 0.290 nan 8.250 nan 0.000 0.468 313 R N 2.108 122.602 120.500 -0.010 0.000 2.276 313 R HA -0.236 4.104 4.340 0.000 0.000 0.243 313 R C 1.335 177.616 176.300 -0.032 0.000 1.161 313 R CA 1.447 57.536 56.100 -0.017 0.000 1.007 313 R CB 0.003 30.294 30.300 -0.015 0.000 0.867 313 R HN 0.655 nan 8.270 nan 0.000 0.472 314 E N 0.455 120.636 120.200 -0.032 0.000 2.008 314 E HA -0.143 4.207 4.350 0.000 0.000 0.191 314 E C 0.877 177.439 176.600 -0.064 0.000 0.986 314 E CA 0.715 57.086 56.400 -0.048 0.000 0.807 314 E CB 0.049 29.728 29.700 -0.035 0.000 0.766 314 E HN 0.029 nan 8.360 nan 0.000 0.450 315 K N 1.435 121.817 120.400 -0.030 0.000 3.000 315 K HA 0.002 4.322 4.320 0.000 0.000 0.265 315 K C -1.079 175.538 176.600 0.028 0.000 1.260 315 K CA 0.289 56.574 56.287 -0.003 0.000 1.209 315 K CB -0.116 32.395 32.500 0.018 0.000 1.484 315 K HN -0.069 nan 8.250 nan 0.000 0.283 316 T N -0.105 114.444 114.554 -0.008 0.000 3.483 316 T HA 0.154 4.504 4.350 0.000 0.000 0.329 316 T C 0.229 174.934 174.700 0.009 0.000 1.014 316 T CA -0.762 61.366 62.100 0.047 0.000 1.056 316 T CB 0.671 69.556 68.868 0.028 0.000 1.090 316 T HN 0.449 nan 8.240 nan 0.000 0.460 317 H N 2.690 121.760 119.070 0.000 0.000 2.448 317 H HA 0.190 4.745 4.556 -0.001 0.000 0.292 317 H C 1.527 176.855 175.328 0.000 0.000 1.035 317 H CA 0.501 56.549 56.048 0.000 0.000 1.349 317 H CB 0.331 30.093 29.762 0.000 0.000 1.425 317 H HN 0.692 nan 8.280 nan 0.000 0.539 318 G N 0.836 109.706 108.800 0.117 0.000 2.380 318 G HA2 0.011 3.971 3.960 0.000 0.000 0.262 318 G HA3 0.011 3.971 3.960 0.000 0.000 0.262 318 G C 0.610 175.530 174.900 0.034 0.000 1.243 318 G CA -0.345 44.794 45.100 0.064 0.000 0.865 318 G HN 0.334 nan 8.290 nan 0.000 0.513 319 E N 1.107 121.321 120.200 0.024 0.000 2.058 319 E HA -0.173 4.177 4.350 0.000 0.000 0.194 319 E C 2.646 179.252 176.600 0.009 0.000 0.997 319 E CA 1.153 57.560 56.400 0.011 0.000 0.801 319 E CB -0.013 29.692 29.700 0.008 0.000 0.746 319 E HN 0.395 nan 8.360 nan 0.000 0.450 320 V N 1.515 121.437 119.914 0.013 0.000 2.332 320 V HA -0.272 3.848 4.120 0.000 0.000 0.248 320 V C 1.974 178.075 176.094 0.012 0.000 1.055 320 V CA 2.007 64.314 62.300 0.011 0.000 1.038 320 V CB -0.573 31.258 31.823 0.014 0.000 0.651 320 V HN 0.246 nan 8.190 nan 0.000 0.450 321 E N -0.028 120.183 120.200 0.017 0.000 2.072 321 E HA -0.194 4.157 4.350 0.000 0.000 0.191 321 E C 2.465 179.071 176.600 0.011 0.000 0.985 321 E CA 1.053 57.464 56.400 0.018 0.000 0.801 321 E CB -0.206 29.510 29.700 0.028 0.000 0.750 321 E HN 0.523 nan 8.360 nan 0.000 0.452 322 R N 0.467 120.971 120.500 0.007 0.000 2.115 322 R HA -0.040 4.300 4.340 0.000 0.000 0.230 322 R C 2.413 178.710 176.300 -0.005 0.000 1.111 322 R CA 0.910 57.009 56.100 -0.002 0.000 0.976 322 R CB -0.101 30.194 30.300 -0.008 0.000 0.870 322 R HN 0.022 nan 8.270 nan 0.000 0.445 323 R N 0.674 121.171 120.500 -0.004 0.000 2.092 323 R HA -0.055 4.285 4.340 0.000 0.000 0.231 323 R C 2.045 178.338 176.300 -0.013 0.000 1.119 323 R CA 1.210 57.304 56.100 -0.009 0.000 0.970 323 R CB -0.101 30.195 30.300 -0.007 0.000 0.864 323 R HN 0.181 nan 8.270 nan 0.000 0.440 324 I N 0.193 120.760 120.570 -0.005 0.000 2.315 324 I HA -0.239 3.931 4.170 0.000 0.000 0.248 324 I C 2.139 178.251 176.117 -0.008 0.000 1.117 324 I CA 0.812 62.109 61.300 -0.005 0.000 1.404 324 I CB -0.034 37.971 38.000 0.009 0.000 1.071 324 I HN -0.023 nan 8.210 nan 0.000 0.419 325 V N -0.240 119.673 119.914 -0.003 0.000 2.343 325 V HA -0.278 3.842 4.120 0.000 0.000 0.247 325 V C 2.479 178.564 176.094 -0.014 0.000 1.051 325 V CA 2.124 64.424 62.300 -0.000 0.000 1.036 325 V CB -0.718 31.107 31.823 0.003 0.000 0.654 325 V HN 0.363 nan 8.190 nan 0.000 0.451 326 S N -0.679 115.008 115.700 -0.022 0.000 2.383 326 S HA -0.246 4.224 4.470 0.000 0.000 0.227 326 S C 2.026 176.593 174.600 -0.056 0.000 1.026 326 S CA 1.624 59.805 58.200 -0.033 0.000 0.981 326 S CB -0.286 62.897 63.200 -0.028 0.000 0.818 326 S HN 0.653 nan 8.310 nan 0.000 0.472 327 Q N 0.987 120.751 119.800 -0.060 0.000 2.135 327 Q HA -0.086 4.254 4.340 0.000 0.000 0.204 327 Q C 1.964 177.871 176.000 -0.155 0.000 0.981 327 Q CA 1.218 56.965 55.803 -0.093 0.000 0.856 327 Q CB -0.410 28.286 28.738 -0.071 0.000 0.902 327 Q HN 0.432 nan 8.270 nan 0.000 0.425 328 L N -0.472 120.679 121.223 -0.120 0.000 2.023 328 L HA -0.017 4.323 4.340 0.000 0.000 0.205 328 L C 1.985 178.755 176.870 -0.167 0.000 1.073 328 L CA 1.591 56.340 54.840 -0.152 0.000 0.745 328 L CB -0.808 41.243 42.059 -0.014 0.000 0.900 328 L HN 0.388 nan 8.230 nan 0.000 0.435 329 L N -0.717 120.457 121.223 -0.081 0.000 2.051 329 L HA -0.303 4.037 4.340 0.000 0.000 0.214 329 L C 2.359 179.162 176.870 -0.111 0.000 1.076 329 L CA 2.074 56.873 54.840 -0.069 0.000 0.758 329 L CB -1.184 40.854 42.059 -0.035 0.000 0.890 329 L HN 0.322 nan 8.230 nan 0.000 0.433 330 T N 0.030 114.508 114.554 -0.127 0.000 2.720 330 T HA -0.178 4.172 4.350 0.000 0.000 0.268 330 T C 1.914 176.498 174.700 -0.193 0.000 1.037 330 T CA 1.385 63.405 62.100 -0.133 0.000 1.144 330 T CB -0.261 68.537 68.868 -0.118 0.000 0.864 330 T HN 0.202 nan 8.240 nan 0.000 0.444 331 L N 0.155 121.177 121.223 -0.335 0.000 2.056 331 L HA -0.045 4.295 4.340 0.000 0.000 0.207 331 L C 2.793 179.450 176.870 -0.355 0.000 1.078 331 L CA 0.806 55.322 54.840 -0.540 0.000 0.749 331 L CB -0.554 40.745 42.059 -1.266 0.000 0.901 331 L HN 0.215 nan 8.230 nan 0.000 0.433 332 M N -0.336 119.102 119.600 -0.269 0.000 2.106 332 M HA -0.230 4.250 4.480 0.000 0.000 0.259 332 M C 1.677 177.924 176.300 -0.089 0.000 1.068 332 M CA 1.755 56.996 55.300 -0.097 0.000 1.100 332 M CB -1.113 31.403 32.600 -0.140 0.000 1.351 332 M HN 0.222 nan 8.290 nan 0.000 0.404 333 D N -0.572 119.770 120.400 -0.096 0.000 2.317 333 D HA 0.032 4.672 4.640 0.000 0.000 0.211 333 D C 1.998 178.264 176.300 -0.057 0.000 0.966 333 D CA 0.971 54.929 54.000 -0.069 0.000 0.876 333 D CB -0.371 40.395 40.800 -0.057 0.000 0.927 333 D HN 0.450 nan 8.370 nan 0.000 0.519 334 G N 0.176 108.935 108.800 -0.069 0.000 2.494 334 G HA2 0.007 3.967 3.960 0.000 0.000 0.216 334 G HA3 0.007 3.967 3.960 0.000 0.000 0.216 334 G C 0.685 175.571 174.900 -0.023 0.000 1.140 334 G CA -0.201 44.867 45.100 -0.053 0.000 0.801 334 G HN 0.204 nan 8.290 nan 0.000 0.536 335 L N 2.022 123.245 121.223 -0.001 0.000 2.485 335 L HA 0.196 4.536 4.340 0.000 0.000 0.279 335 L C 0.594 177.445 176.870 -0.032 0.000 1.124 335 L CA -0.195 54.648 54.840 0.007 0.000 0.888 335 L CB 0.454 42.532 42.059 0.031 0.000 1.217 335 L HN 0.033 nan 8.230 nan 0.000 0.464 336 K N 2.061 122.439 120.400 -0.036 0.000 2.187 336 K HA 0.031 4.351 4.320 0.000 0.000 0.247 336 K C 0.926 177.476 176.600 -0.083 0.000 1.019 336 K CA -0.763 55.495 56.287 -0.049 0.000 0.893 336 K CB 0.615 33.092 32.500 -0.039 0.000 1.025 336 K HN 0.480 nan 8.250 nan 0.000 0.500 337 Q N 1.265 121.013 119.800 -0.086 0.000 2.029 337 Q HA -0.228 4.112 4.340 0.000 0.000 0.209 337 Q C 1.558 177.425 176.000 -0.221 0.000 0.999 337 Q CA 1.952 57.682 55.803 -0.122 0.000 0.857 337 Q CB -0.583 28.107 28.738 -0.080 0.000 0.926 337 Q HN 0.492 nan 8.270 nan 0.000 0.415 338 R N 0.613 120.992 120.500 -0.201 0.000 2.346 338 R HA 0.239 4.579 4.340 0.000 0.000 0.208 338 R C 1.595 177.730 176.300 -0.275 0.000 1.052 338 R CA 0.833 56.759 56.100 -0.290 0.000 1.116 338 R CB -0.938 29.307 30.300 -0.092 0.000 1.003 338 R HN 0.207 nan 8.270 nan 0.000 0.482 339 A N 0.796 123.483 122.820 -0.223 0.000 1.970 339 A HA -0.081 4.239 4.320 0.000 0.000 0.216 339 A C 0.099 177.684 177.584 0.001 0.000 1.170 339 A CA 0.580 52.570 52.037 -0.079 0.000 0.645 339 A CB -0.534 18.433 19.000 -0.054 0.000 0.816 339 A HN 0.642 nan 8.150 nan 0.000 0.447 340 H N -1.671 117.381 119.070 -0.030 0.000 2.677 340 H HA -0.119 4.437 4.556 0.000 0.000 0.321 340 H C -0.996 174.313 175.328 -0.032 0.000 1.171 340 H CA 0.692 56.721 56.048 -0.031 0.000 1.139 340 H CB -2.332 27.422 29.762 -0.013 0.000 1.515 340 H HN 0.259 nan 8.280 nan 0.000 0.423 341 V N 2.806 122.724 119.914 0.006 0.000 2.525 341 V HA 0.330 4.450 4.120 0.000 0.000 0.299 341 V C 0.355 176.404 176.094 -0.076 0.000 1.034 341 V CA -0.731 61.552 62.300 -0.028 0.000 0.863 341 V CB 2.452 34.239 31.823 -0.060 0.000 0.999 341 V HN 0.186 nan 8.190 nan 0.000 0.423 342 I N 5.337 125.865 120.570 -0.070 0.000 2.354 342 I HA 0.435 4.605 4.170 0.000 0.000 0.292 342 I C -0.049 176.003 176.117 -0.110 0.000 0.989 342 I CA -0.711 60.536 61.300 -0.089 0.000 1.188 342 I CB 1.692 39.664 38.000 -0.047 0.000 1.342 342 I HN 0.236 nan 8.210 nan 0.000 0.457 343 V N 7.211 127.044 119.914 -0.136 0.000 2.364 343 V HA 0.396 4.516 4.120 0.000 0.000 0.272 343 V C 0.433 176.550 176.094 0.038 0.000 1.036 343 V CA -0.427 61.808 62.300 -0.108 0.000 0.880 343 V CB 1.138 32.883 31.823 -0.131 0.000 0.991 343 V HN 0.637 nan 8.190 nan 0.000 0.460 344 M N 4.053 123.622 119.600 -0.052 0.000 2.423 344 M HA 0.810 5.290 4.480 0.000 0.000 0.335 344 M C -0.080 175.891 176.300 -0.548 0.000 1.177 344 M CA -0.260 54.931 55.300 -0.181 0.000 1.038 344 M CB 2.026 34.520 32.600 -0.177 0.000 1.641 344 M HN 0.722 nan 8.290 nan 0.000 0.455 345 A N 1.696 124.161 122.820 -0.592 0.000 2.572 345 A HA 0.963 5.283 4.320 0.000 0.000 0.295 345 A C -1.698 175.592 177.584 -0.490 0.000 1.072 345 A CA -0.684 50.921 52.037 -0.719 0.000 0.691 345 A CB 1.634 20.164 19.000 -0.784 0.000 1.291 345 A HN 0.879 nan 8.150 nan 0.000 0.404 346 A N 0.319 122.974 122.820 -0.276 0.000 2.414 346 A HA 0.936 5.256 4.320 0.000 0.000 0.306 346 A C -0.398 177.192 177.584 0.010 0.000 1.054 346 A CA -0.093 51.949 52.037 0.009 0.000 0.724 346 A CB 1.724 20.897 19.000 0.289 0.000 1.267 346 A HN 1.817 nan 8.150 nan 0.000 0.418 347 T N -0.221 114.357 114.554 0.039 0.000 2.889 347 T HA 0.454 4.804 4.350 0.000 0.000 0.315 347 T C 0.064 174.808 174.700 0.073 0.000 1.291 347 T CA -0.036 62.086 62.100 0.036 0.000 1.028 347 T CB 1.094 69.957 68.868 -0.008 0.000 1.235 347 T HN 0.878 nan 8.240 nan 0.000 0.491 348 N N 1.678 120.413 118.700 0.057 0.000 2.236 348 N HA 0.191 4.931 4.740 0.000 0.000 0.196 348 N C 0.327 175.871 175.510 0.057 0.000 1.114 348 N CA -0.177 52.911 53.050 0.063 0.000 0.859 348 N CB 0.303 38.818 38.487 0.046 0.000 0.982 348 N HN 0.379 nan 8.380 nan 0.000 0.493 349 R N 0.719 121.242 120.500 0.038 0.000 2.629 349 R HA 0.264 4.604 4.340 0.000 0.000 0.277 349 R C -1.971 174.326 176.300 -0.005 0.000 1.637 349 R CA -1.424 54.687 56.100 0.018 0.000 1.663 349 R CB 1.264 31.570 30.300 0.009 0.000 1.228 349 R HN 0.162 nan 8.270 nan 0.000 0.632 350 P HA -0.145 nan 4.420 nan 0.000 0.218 350 P C 0.220 177.469 177.300 -0.085 0.000 1.149 350 P CA 1.166 64.221 63.100 -0.075 0.000 0.817 350 P CB 0.343 31.932 31.700 -0.184 0.000 0.785 351 N N -0.182 118.476 118.700 -0.069 0.000 2.521 351 N HA -0.047 4.693 4.740 0.000 0.000 0.188 351 N C 1.506 176.997 175.510 -0.033 0.000 1.146 351 N CA 0.846 53.863 53.050 -0.055 0.000 0.893 351 N CB -0.464 37.994 38.487 -0.048 0.000 0.975 351 N HN 0.283 nan 8.380 nan 0.000 0.451 352 S N -0.518 115.166 115.700 -0.026 0.000 2.575 352 S HA 0.219 4.689 4.470 0.000 0.000 0.215 352 S C 0.582 175.171 174.600 -0.019 0.000 0.966 352 S CA -0.466 57.724 58.200 -0.016 0.000 0.911 352 S CB -0.104 63.092 63.200 -0.007 0.000 0.780 352 S HN 0.053 nan 8.310 nan 0.000 0.514 353 I N 2.542 123.093 120.570 -0.032 0.000 2.472 353 I HA 0.197 4.367 4.170 0.000 0.000 0.290 353 I C 0.398 176.504 176.117 -0.018 0.000 1.016 353 I CA -0.623 60.657 61.300 -0.033 0.000 1.348 353 I CB 0.737 38.700 38.000 -0.061 0.000 1.417 353 I HN 0.167 nan 8.210 nan 0.000 0.521 354 D N 8.056 128.452 120.400 -0.006 0.000 2.520 354 D HA -0.025 4.615 4.640 0.000 0.000 0.243 354 D C -1.709 174.599 176.300 0.012 0.000 1.160 354 D CA -0.897 53.105 54.000 0.003 0.000 0.877 354 D CB 1.402 42.207 40.800 0.009 0.000 1.150 354 D HN 0.235 nan 8.370 nan 0.000 0.494 355 P HA -0.047 nan 4.420 nan 0.000 0.223 355 P C 0.909 178.227 177.300 0.030 0.000 1.151 355 P CA 0.767 63.875 63.100 0.014 0.000 0.787 355 P CB 0.167 31.870 31.700 0.005 0.000 0.788 356 A N -0.549 122.288 122.820 0.029 0.000 1.978 356 A HA -0.159 4.161 4.320 0.000 0.000 0.220 356 A C 2.020 179.636 177.584 0.053 0.000 1.170 356 A CA 1.350 53.407 52.037 0.034 0.000 0.636 356 A CB -1.601 17.412 19.000 0.021 0.000 0.810 356 A HN 0.154 nan 8.150 nan 0.000 0.448 357 L N -1.181 120.089 121.223 0.079 0.000 2.291 357 L HA 0.012 4.352 4.340 0.000 0.000 0.214 357 L C 2.273 179.270 176.870 0.211 0.000 1.120 357 L CA 0.936 55.871 54.840 0.158 0.000 0.799 357 L CB -0.044 42.132 42.059 0.195 0.000 0.925 357 L HN 0.241 nan 8.230 nan 0.000 0.446 358 R N -1.099 119.479 120.500 0.130 0.000 2.427 358 R HA 0.161 4.501 4.340 0.000 0.000 0.262 358 R C 0.412 176.761 176.300 0.083 0.000 0.943 358 R CA -0.197 55.974 56.100 0.120 0.000 1.081 358 R CB 0.362 30.699 30.300 0.062 0.000 1.166 358 R HN 0.155 nan 8.270 nan 0.000 0.534 359 R N -0.107 120.438 120.500 0.075 0.000 2.580 359 R HA 0.128 4.468 4.340 0.000 0.000 0.267 359 R C -0.331 176.027 176.300 0.096 0.000 1.125 359 R CA -0.492 55.663 56.100 0.090 0.000 1.188 359 R CB 0.279 30.629 30.300 0.084 0.000 1.155 359 R HN -0.097 nan 8.270 nan 0.000 0.586 360 F N 0.931 120.878 119.950 -0.006 0.000 2.612 360 F HA 0.124 4.650 4.527 -0.000 0.000 0.389 360 F C 1.373 177.152 175.800 -0.034 0.000 1.055 360 F CA 2.136 60.127 58.000 -0.015 0.000 1.232 360 F CB 0.308 39.301 39.000 -0.011 0.000 1.044 360 F HN 0.735 nan 8.300 nan 0.000 0.560 361 G N 4.094 112.519 108.800 -0.625 0.000 2.253 361 G HA2 -0.336 3.624 3.960 0.000 0.000 0.251 361 G HA3 -0.336 3.624 3.960 0.000 0.000 0.251 361 G C 0.867 175.592 174.900 -0.290 0.000 0.998 361 G CA 0.498 45.340 45.100 -0.431 0.000 0.621 361 G HN 0.711 nan 8.290 nan 0.000 0.524 362 R N -0.783 119.576 120.500 -0.235 0.000 1.177 362 R HA 0.674 5.014 4.340 0.000 0.000 0.084 362 R C 0.247 176.289 176.300 -0.430 0.000 1.117 362 R CA -0.232 55.688 56.100 -0.300 0.000 2.033 362 R CB -0.461 29.762 30.300 -0.127 0.000 0.945 362 R HN 0.075 nan 8.270 nan 0.000 0.717 363 F N 2.536 122.452 119.950 -0.057 0.000 2.661 363 F HA 0.081 4.608 4.527 0.000 0.000 0.356 363 F C 0.469 176.235 175.800 -0.057 0.000 1.244 363 F CA -0.173 57.793 58.000 -0.057 0.000 1.290 363 F CB -0.152 38.823 39.000 -0.041 0.000 1.677 363 F HN 0.393 nan 8.300 nan 0.000 0.649 364 D N -0.040 120.340 120.400 -0.034 0.000 2.342 364 D HA 0.025 4.665 4.640 0.000 0.000 0.221 364 D C 0.460 176.758 176.300 -0.004 0.000 1.101 364 D CA 0.064 54.039 54.000 -0.042 0.000 0.837 364 D CB 0.202 40.883 40.800 -0.198 0.000 0.938 364 D HN 0.136 nan 8.370 nan 0.000 0.508 365 R N 0.700 121.224 120.500 0.040 0.000 2.628 365 R HA 0.418 4.758 4.340 0.000 0.000 0.288 365 R C -0.554 175.819 176.300 0.122 0.000 0.980 365 R CA -0.409 55.732 56.100 0.067 0.000 0.891 365 R CB 2.056 32.380 30.300 0.040 0.000 1.188 365 R HN 0.140 nan 8.270 nan 0.000 0.450 366 E N 2.047 122.334 120.200 0.145 0.000 2.224 366 E HA 0.372 4.722 4.350 0.000 0.000 0.265 366 E C -0.773 175.969 176.600 0.236 0.000 0.878 366 E CA -0.896 55.650 56.400 0.243 0.000 0.759 366 E CB 2.942 32.811 29.700 0.283 0.000 1.164 366 E HN 0.105 nan 8.360 nan 0.000 0.414 367 V N 2.401 122.424 119.914 0.182 0.000 2.357 367 V HA 0.097 4.217 4.120 0.000 0.000 0.284 367 V C -0.318 175.650 176.094 -0.209 0.000 1.018 367 V CA -0.755 61.566 62.300 0.035 0.000 0.841 367 V CB 1.557 33.406 31.823 0.043 0.000 0.991 367 V HN 0.601 nan 8.190 nan 0.000 0.437 368 D N 5.398 125.611 120.400 -0.311 0.000 2.494 368 D HA 0.181 4.821 4.640 0.000 0.000 0.217 368 D C 0.174 176.248 176.300 -0.376 0.000 1.153 368 D CA -0.467 53.118 54.000 -0.692 0.000 0.954 368 D CB 0.368 40.937 40.800 -0.385 0.000 1.034 368 D HN 0.265 nan 8.370 nan 0.000 0.518 369 I N 3.809 124.172 120.570 -0.345 0.000 2.352 369 I HA 0.223 4.393 4.170 0.000 0.000 0.303 369 I C 1.401 177.434 176.117 -0.141 0.000 1.194 369 I CA -0.208 60.996 61.300 -0.160 0.000 1.518 369 I CB -0.517 37.436 38.000 -0.079 0.000 1.489 369 I HN 0.220 nan 8.210 nan 0.000 0.702 370 G N 5.436 114.168 108.800 -0.114 0.000 2.525 370 G HA2 0.544 4.504 3.960 0.000 0.000 0.287 370 G HA3 0.544 4.504 3.960 0.000 0.000 0.287 370 G C 0.087 174.971 174.900 -0.027 0.000 1.350 370 G CA -0.794 44.265 45.100 -0.068 0.000 1.039 370 G HN 0.419 nan 8.290 nan 0.000 0.513 371 I N 2.361 122.927 120.570 -0.007 0.000 2.618 371 I HA 0.135 4.305 4.170 0.000 0.000 0.284 371 I C -1.394 174.730 176.117 0.012 0.000 1.146 371 I CA -0.996 60.309 61.300 0.009 0.000 1.425 371 I CB 0.966 38.978 38.000 0.019 0.000 1.383 371 I HN 0.241 nan 8.210 nan 0.000 0.562 372 P HA 0.119 nan 4.420 nan 0.000 0.275 372 P C -1.025 176.290 177.300 0.025 0.000 1.227 372 P CA -0.499 62.612 63.100 0.019 0.000 0.781 372 P CB 0.554 32.267 31.700 0.022 0.000 0.906 373 D N 1.599 122.011 120.400 0.020 0.000 2.380 373 D HA 0.063 4.703 4.640 0.000 0.000 0.254 373 D C 1.407 177.719 176.300 0.020 0.000 1.288 373 D CA -0.336 53.677 54.000 0.022 0.000 1.008 373 D CB -0.241 40.569 40.800 0.017 0.000 1.099 373 D HN 0.304 nan 8.370 nan 0.000 0.537 374 A N -0.191 122.641 122.820 0.019 0.000 1.903 374 A HA -0.230 4.090 4.320 0.000 0.000 0.219 374 A C 2.168 179.752 177.584 -0.000 0.000 1.191 374 A CA 3.057 55.099 52.037 0.009 0.000 0.638 374 A CB -1.550 17.456 19.000 0.010 0.000 0.823 374 A HN 0.716 nan 8.150 nan 0.000 0.451 375 T N -0.430 114.126 114.554 0.003 0.000 2.821 375 T HA 0.004 4.354 4.350 0.000 0.000 0.267 375 T C 1.971 176.673 174.700 0.004 0.000 1.046 375 T CA 1.296 63.396 62.100 0.000 0.000 1.139 375 T CB -0.792 68.078 68.868 0.002 0.000 0.871 375 T HN 0.597 nan 8.240 nan 0.000 0.454 376 G N 1.889 110.693 108.800 0.008 0.000 2.459 376 G HA2 -0.255 3.705 3.960 0.000 0.000 0.217 376 G HA3 -0.255 3.705 3.960 0.000 0.000 0.217 376 G C 1.741 176.649 174.900 0.014 0.000 1.183 376 G CA 0.506 45.614 45.100 0.013 0.000 0.776 376 G HN 0.429 nan 8.290 nan 0.000 0.552 377 R N -0.454 120.051 120.500 0.008 0.000 2.081 377 R HA -0.023 4.317 4.340 0.000 0.000 0.235 377 R C 2.498 178.794 176.300 -0.007 0.000 1.131 377 R CA 1.188 57.288 56.100 -0.000 0.000 0.960 377 R CB -0.566 29.725 30.300 -0.016 0.000 0.856 377 R HN 0.392 nan 8.270 nan 0.000 0.436 378 L N 1.610 122.825 121.223 -0.013 0.000 2.017 378 L HA -0.167 4.173 4.340 0.000 0.000 0.208 378 L C 1.913 178.783 176.870 0.000 0.000 1.073 378 L CA 1.853 56.682 54.840 -0.018 0.000 0.745 378 L CB -0.421 41.625 42.059 -0.023 0.000 0.894 378 L HN 0.122 nan 8.230 nan 0.000 0.432 379 E N -0.291 119.916 120.200 0.011 0.000 2.058 379 E HA -0.261 4.089 4.350 0.000 0.000 0.194 379 E C 2.217 178.845 176.600 0.047 0.000 0.997 379 E CA 2.050 58.465 56.400 0.024 0.000 0.801 379 E CB -0.304 29.411 29.700 0.024 0.000 0.746 379 E HN 0.614 nan 8.360 nan 0.000 0.450 380 I N 0.858 121.462 120.570 0.057 0.000 2.226 380 I HA -0.278 3.892 4.170 0.000 0.000 0.245 380 I C 2.331 178.535 176.117 0.145 0.000 1.100 380 I CA 0.919 62.281 61.300 0.104 0.000 1.374 380 I CB -0.166 37.873 38.000 0.065 0.000 1.057 380 I HN 0.083 nan 8.210 nan 0.000 0.413 381 L N -0.151 121.120 121.223 0.080 0.000 2.141 381 L HA -0.209 4.131 4.340 0.000 0.000 0.209 381 L C 2.592 179.513 176.870 0.085 0.000 1.094 381 L CA 1.271 56.164 54.840 0.088 0.000 0.763 381 L CB -0.514 41.554 42.059 0.016 0.000 0.908 381 L HN 0.297 nan 8.230 nan 0.000 0.437 382 Q N -0.112 119.718 119.800 0.049 0.000 2.119 382 Q HA -0.158 4.182 4.340 0.000 0.000 0.201 382 Q C 2.289 178.312 176.000 0.038 0.000 0.972 382 Q CA 1.349 57.171 55.803 0.031 0.000 0.847 382 Q CB -0.029 28.717 28.738 0.013 0.000 0.903 382 Q HN 0.538 nan 8.270 nan 0.000 0.433 383 I N -0.612 119.991 120.570 0.055 0.000 2.439 383 I HA -0.212 3.958 4.170 0.000 0.000 0.251 383 I C 1.622 177.697 176.117 -0.070 0.000 1.139 383 I CA 0.952 62.258 61.300 0.010 0.000 1.438 383 I CB -0.063 37.957 38.000 0.033 0.000 1.085 383 I HN 0.180 nan 8.210 nan 0.000 0.427 384 H N -0.113 118.976 119.070 0.032 0.000 2.502 384 H HA -0.036 4.520 4.556 0.001 0.000 0.283 384 H C 1.954 177.315 175.328 0.056 0.000 1.015 384 H CA 1.684 57.758 56.048 0.043 0.000 1.298 384 H CB 0.090 29.886 29.762 0.056 0.000 1.411 384 H HN 0.320 nan 8.280 nan 0.000 0.556 385 T N -1.997 112.622 114.554 0.109 0.000 3.092 385 T HA 0.043 4.393 4.350 0.000 0.000 0.258 385 T C 1.532 176.258 174.700 0.044 0.000 1.031 385 T CA -0.254 61.907 62.100 0.101 0.000 0.925 385 T CB 0.087 69.039 68.868 0.141 0.000 1.036 385 T HN 0.430 nan 8.240 nan 0.000 0.544 386 K N 1.725 122.128 120.400 0.006 0.000 2.280 386 K HA -0.015 4.306 4.320 0.000 0.000 0.202 386 K C 1.150 177.746 176.600 -0.008 0.000 1.047 386 K CA 1.198 57.481 56.287 -0.007 0.000 0.942 386 K CB -0.196 32.291 32.500 -0.023 0.000 0.739 386 K HN 0.192 nan 8.250 nan 0.000 0.457 387 N N 0.006 118.700 118.700 -0.011 0.000 2.187 387 N HA 0.170 4.910 4.740 0.000 0.000 0.212 387 N C -0.436 175.077 175.510 0.006 0.000 1.152 387 N CA 0.122 53.166 53.050 -0.010 0.000 0.872 387 N CB 0.552 39.023 38.487 -0.026 0.000 1.025 387 N HN 0.221 nan 8.380 nan 0.000 0.514 388 M N 0.635 120.250 119.600 0.026 0.000 2.318 388 M HA 0.244 4.724 4.480 0.000 0.000 0.347 388 M C 0.182 176.509 176.300 0.045 0.000 1.175 388 M CA -0.334 54.993 55.300 0.044 0.000 1.075 388 M CB 1.857 34.507 32.600 0.083 0.000 1.614 388 M HN -0.345 nan 8.290 nan 0.000 0.456 389 K N 4.140 124.563 120.400 0.039 0.000 2.315 389 K HA 0.394 4.714 4.320 0.000 0.000 0.291 389 K C -1.100 175.537 176.600 0.062 0.000 1.074 389 K CA 0.048 56.358 56.287 0.038 0.000 0.936 389 K CB 0.232 32.746 32.500 0.023 0.000 1.049 389 K HN 0.566 nan 8.250 nan 0.000 0.471 390 L N 2.352 123.614 121.223 0.066 0.000 2.331 390 L HA 0.476 4.816 4.340 0.000 0.000 0.275 390 L C 0.400 177.304 176.870 0.057 0.000 1.022 390 L CA -0.923 53.971 54.840 0.089 0.000 0.812 390 L CB 1.718 43.827 42.059 0.085 0.000 1.257 390 L HN 0.589 nan 8.230 nan 0.000 0.435 391 A N 0.652 123.512 122.820 0.066 0.000 2.313 391 A HA 0.080 4.400 4.320 0.000 0.000 0.261 391 A C 0.901 178.499 177.584 0.023 0.000 1.090 391 A CA -0.239 51.823 52.037 0.042 0.000 0.807 391 A CB 0.321 19.350 19.000 0.049 0.000 1.055 391 A HN 0.868 nan 8.150 nan 0.000 0.492 392 D N 0.051 120.460 120.400 0.015 0.000 2.158 392 D HA -0.200 4.440 4.640 0.000 0.000 0.197 392 D C 1.123 177.422 176.300 -0.001 0.000 0.995 392 D CA 1.996 55.999 54.000 0.005 0.000 0.846 392 D CB -0.031 40.772 40.800 0.005 0.000 0.941 392 D HN 0.674 nan 8.370 nan 0.000 0.456 393 D N -0.527 119.876 120.400 0.005 0.000 2.349 393 D HA -0.061 4.579 4.640 0.000 0.000 0.215 393 D C 0.390 176.680 176.300 -0.016 0.000 1.016 393 D CA -0.130 53.870 54.000 -0.000 0.000 0.870 393 D CB -0.362 40.445 40.800 0.012 0.000 0.917 393 D HN -0.002 nan 8.370 nan 0.000 0.524 394 V N 1.625 121.524 119.914 -0.025 0.000 2.446 394 V HA 0.081 4.201 4.120 0.000 0.000 0.276 394 V C -0.015 175.999 176.094 -0.134 0.000 1.030 394 V CA -0.180 62.066 62.300 -0.091 0.000 1.033 394 V CB 0.552 32.318 31.823 -0.095 0.000 0.993 394 V HN 0.052 nan 8.190 nan 0.000 0.477 395 D N 4.457 124.761 120.400 -0.160 0.000 2.427 395 D HA 0.392 5.032 4.640 0.000 0.000 0.226 395 D C 0.551 176.724 176.300 -0.212 0.000 1.076 395 D CA -0.474 53.440 54.000 -0.144 0.000 0.849 395 D CB 1.586 42.330 40.800 -0.092 0.000 1.052 395 D HN 0.288 nan 8.370 nan 0.000 0.515 396 L N 2.789 123.884 121.223 -0.213 0.000 2.240 396 L HA 0.094 4.434 4.340 0.000 0.000 0.211 396 L C 2.151 178.931 176.870 -0.149 0.000 1.106 396 L CA 0.830 55.531 54.840 -0.231 0.000 0.793 396 L CB -0.368 41.579 42.059 -0.186 0.000 0.927 396 L HN 0.432 nan 8.230 nan 0.000 0.446 397 E N -0.110 120.025 120.200 -0.107 0.000 2.110 397 E HA -0.301 4.049 4.350 0.000 0.000 0.193 397 E C 2.174 178.726 176.600 -0.080 0.000 0.988 397 E CA 1.223 57.577 56.400 -0.076 0.000 0.804 397 E CB 0.015 29.682 29.700 -0.054 0.000 0.745 397 E HN 0.440 nan 8.360 nan 0.000 0.458 398 Q N 0.518 120.262 119.800 -0.092 0.000 2.050 398 Q HA -0.136 4.204 4.340 0.000 0.000 0.202 398 Q C 2.022 177.957 176.000 -0.108 0.000 0.980 398 Q CA 1.537 57.289 55.803 -0.086 0.000 0.840 398 Q CB -0.108 28.583 28.738 -0.079 0.000 0.898 398 Q HN 0.111 nan 8.270 nan 0.000 0.424 399 V N 0.859 120.684 119.914 -0.149 0.000 2.427 399 V HA -0.207 3.913 4.120 0.000 0.000 0.248 399 V C 2.319 178.321 176.094 -0.153 0.000 1.051 399 V CA 1.608 63.813 62.300 -0.157 0.000 1.048 399 V CB -1.306 30.381 31.823 -0.227 0.000 0.666 399 V HN 0.523 nan 8.190 nan 0.000 0.456 400 A N 0.583 123.327 122.820 -0.126 0.000 1.902 400 A HA -0.206 4.114 4.320 0.000 0.000 0.217 400 A C 2.065 179.591 177.584 -0.098 0.000 1.181 400 A CA 1.942 53.919 52.037 -0.101 0.000 0.623 400 A CB -0.582 18.378 19.000 -0.067 0.000 0.818 400 A HN 0.586 nan 8.150 nan 0.000 0.443 401 N N -0.046 118.603 118.700 -0.086 0.000 2.331 401 N HA -0.084 4.656 4.740 0.000 0.000 0.180 401 N C 1.289 176.725 175.510 -0.122 0.000 1.019 401 N CA 1.130 54.143 53.050 -0.061 0.000 0.881 401 N CB -0.261 38.208 38.487 -0.029 0.000 0.972 401 N HN 0.657 nan 8.380 nan 0.000 0.435 402 E N -0.055 120.023 120.200 -0.204 0.000 2.502 402 E HA 0.006 4.356 4.350 0.000 0.000 0.194 402 E C -0.027 176.216 176.600 -0.594 0.000 1.062 402 E CA 0.339 56.527 56.400 -0.354 0.000 0.867 402 E CB 0.166 29.743 29.700 -0.204 0.000 0.888 402 E HN 0.306 nan 8.360 nan 0.000 0.510 403 T N -1.794 112.486 114.554 -0.457 0.000 3.465 403 T HA 0.207 4.557 4.350 0.000 0.000 0.323 403 T C 0.421 175.076 174.700 -0.075 0.000 1.774 403 T CA -0.445 61.352 62.100 -0.504 0.000 1.348 403 T CB -0.171 68.290 68.868 -0.677 0.000 1.147 403 T HN 0.129 nan 8.240 nan 0.000 0.778 404 H N 1.998 121.146 119.070 0.130 0.000 2.321 404 H HA -0.021 4.535 4.556 0.001 0.000 0.295 404 H C 2.212 177.615 175.328 0.124 0.000 1.102 404 H CA 1.577 57.690 56.048 0.107 0.000 1.266 404 H CB 0.133 29.941 29.762 0.076 0.000 1.363 404 H HN 0.649 nan 8.280 nan 0.000 0.492 405 G N -1.194 107.780 108.800 0.290 0.000 3.863 405 G HA2 0.058 4.018 3.960 0.000 0.000 0.290 405 G HA3 0.058 4.018 3.960 0.000 0.000 0.290 405 G C -0.904 174.025 174.900 0.048 0.000 1.018 405 G CA -0.332 44.842 45.100 0.123 0.000 0.824 405 G HN 0.263 nan 8.290 nan 0.000 0.507 406 H N 0.453 119.525 119.070 0.004 0.000 2.610 406 H HA 0.422 4.979 4.556 0.001 0.000 0.336 406 H C 0.683 176.003 175.328 -0.013 0.000 1.087 406 H CA -0.301 55.739 56.048 -0.014 0.000 1.405 406 H CB 1.771 31.515 29.762 -0.029 0.000 1.460 406 H HN 0.157 nan 8.280 nan 0.000 0.538 407 V N 0.789 120.734 119.914 0.051 0.000 3.109 407 V HA 0.531 4.651 4.120 0.000 0.000 0.317 407 V C 1.490 177.596 176.094 0.019 0.000 1.074 407 V CA -0.119 62.197 62.300 0.026 0.000 1.033 407 V CB 1.311 33.133 31.823 -0.002 0.000 1.111 407 V HN 0.825 nan 8.190 nan 0.000 0.458 408 G N 0.252 109.052 108.800 0.000 0.000 2.469 408 G HA2 -0.210 3.750 3.960 0.000 0.000 0.220 408 G HA3 -0.210 3.750 3.960 0.000 0.000 0.220 408 G C 1.458 176.302 174.900 -0.093 0.000 1.136 408 G CA 1.438 46.516 45.100 -0.036 0.000 0.759 408 G HN 1.471 nan 8.290 nan 0.000 0.562 409 A N 1.039 123.828 122.820 -0.052 0.000 1.902 409 A HA -0.069 4.251 4.320 0.000 0.000 0.217 409 A C 2.110 179.661 177.584 -0.054 0.000 1.181 409 A CA 2.059 54.063 52.037 -0.055 0.000 0.623 409 A CB -0.414 18.570 19.000 -0.026 0.000 0.818 409 A HN 0.300 nan 8.150 nan 0.000 0.443 410 D N 0.044 120.428 120.400 -0.027 0.000 2.144 410 D HA -0.113 4.527 4.640 0.000 0.000 0.199 410 D C 1.943 178.287 176.300 0.075 0.000 0.984 410 D CA 1.076 55.084 54.000 0.013 0.000 0.834 410 D CB -0.291 40.495 40.800 -0.025 0.000 0.955 410 D HN 0.463 nan 8.370 nan 0.000 0.465 411 L N 0.698 121.943 121.223 0.037 0.000 2.093 411 L HA -0.099 4.241 4.340 0.000 0.000 0.208 411 L C 2.583 179.385 176.870 -0.115 0.000 1.085 411 L CA 0.893 55.726 54.840 -0.012 0.000 0.755 411 L CB -0.340 41.693 42.059 -0.043 0.000 0.904 411 L HN -0.040 nan 8.230 nan 0.000 0.435 412 A N 0.127 122.780 122.820 -0.278 0.000 1.902 412 A HA -0.172 4.148 4.320 0.000 0.000 0.217 412 A C 2.524 180.058 177.584 -0.082 0.000 1.181 412 A CA 1.743 53.563 52.037 -0.362 0.000 0.623 412 A CB -0.696 18.060 19.000 -0.407 0.000 0.818 412 A HN 0.389 nan 8.150 nan 0.000 0.443 413 A N -0.677 122.113 122.820 -0.050 0.000 1.930 413 A HA -0.007 4.313 4.320 0.000 0.000 0.217 413 A C 2.137 179.719 177.584 -0.004 0.000 1.175 413 A CA 1.611 53.641 52.037 -0.011 0.000 0.627 413 A CB -0.584 18.410 19.000 -0.008 0.000 0.815 413 A HN 0.618 nan 8.150 nan 0.000 0.443 414 L N -0.383 120.844 121.223 0.007 0.000 2.046 414 L HA -0.195 4.145 4.340 0.000 0.000 0.208 414 L C 2.493 179.333 176.870 -0.049 0.000 1.077 414 L CA 2.251 57.094 54.840 0.006 0.000 0.747 414 L CB -0.595 41.492 42.059 0.047 0.000 0.896 414 L HN 0.464 nan 8.230 nan 0.000 0.432 415 C N -1.759 117.538 119.300 -0.006 0.000 2.440 415 C HA -0.119 4.341 4.460 0.000 0.000 0.278 415 C C 3.172 178.114 174.990 -0.080 0.000 1.295 415 C CA 1.130 60.127 59.018 -0.034 0.000 1.738 415 C CB -0.927 26.893 27.740 0.133 0.000 1.987 415 C HN 0.692 nan 8.230 nan 0.000 0.492 416 S N 0.036 115.725 115.700 -0.018 0.000 2.368 416 S HA -0.145 4.325 4.470 0.000 0.000 0.225 416 S C 1.971 176.561 174.600 -0.017 0.000 1.030 416 S CA 1.367 59.564 58.200 -0.006 0.000 0.999 416 S CB -0.255 62.956 63.200 0.017 0.000 0.844 416 S HN 0.566 nan 8.310 nan 0.000 0.459 417 E N 0.934 121.130 120.200 -0.007 0.000 2.107 417 E HA 0.015 4.365 4.350 0.000 0.000 0.191 417 E C 2.325 178.959 176.600 0.056 0.000 0.982 417 E CA 0.977 57.418 56.400 0.067 0.000 0.809 417 E CB -0.530 29.232 29.700 0.103 0.000 0.756 417 E HN 0.546 nan 8.360 nan 0.000 0.459 418 A N 1.484 124.228 122.820 -0.128 0.000 1.902 418 A HA -0.129 4.191 4.320 0.000 0.000 0.217 418 A C 2.411 179.854 177.584 -0.234 0.000 1.181 418 A CA 2.057 53.911 52.037 -0.305 0.000 0.623 418 A CB -0.544 17.846 19.000 -1.016 0.000 0.818 418 A HN 0.265 nan 8.150 nan 0.000 0.443 419 A N -0.655 122.050 122.820 -0.190 0.000 1.933 419 A HA -0.046 4.274 4.320 0.000 0.000 0.218 419 A C 2.185 179.725 177.584 -0.074 0.000 1.175 419 A CA 1.501 53.476 52.037 -0.103 0.000 0.628 419 A CB -0.550 18.413 19.000 -0.062 0.000 0.814 419 A HN 0.504 nan 8.150 nan 0.000 0.444 420 L N -1.146 120.044 121.223 -0.054 0.000 2.141 420 L HA -0.192 4.148 4.340 0.000 0.000 0.209 420 L C 2.734 179.532 176.870 -0.120 0.000 1.094 420 L CA 1.710 56.518 54.840 -0.055 0.000 0.763 420 L CB -0.153 41.902 42.059 -0.008 0.000 0.908 420 L HN 0.503 nan 8.230 nan 0.000 0.437 421 Q N -0.425 119.284 119.800 -0.151 0.000 2.119 421 Q HA -0.148 4.192 4.340 0.000 0.000 0.201 421 Q C 2.100 177.981 176.000 -0.198 0.000 0.972 421 Q CA 1.759 57.388 55.803 -0.289 0.000 0.847 421 Q CB -0.158 28.408 28.738 -0.286 0.000 0.903 421 Q HN 0.510 nan 8.270 nan 0.000 0.433 422 A N -0.068 122.677 122.820 -0.124 0.000 1.972 422 A HA -0.122 4.198 4.320 0.000 0.000 0.219 422 A C 2.035 179.570 177.584 -0.082 0.000 1.169 422 A CA 1.328 53.315 52.037 -0.085 0.000 0.635 422 A CB -0.608 18.359 19.000 -0.054 0.000 0.810 422 A HN 0.468 nan 8.150 nan 0.000 0.446 423 I N -1.201 119.318 120.570 -0.086 0.000 2.315 423 I HA -0.201 3.969 4.170 0.000 0.000 0.248 423 I C 2.706 178.766 176.117 -0.094 0.000 1.117 423 I CA 1.054 62.309 61.300 -0.075 0.000 1.404 423 I CB -0.231 37.732 38.000 -0.063 0.000 1.071 423 I HN 0.244 nan 8.210 nan 0.000 0.419 424 R N 0.747 121.165 120.500 -0.136 0.000 2.115 424 R HA -0.132 4.208 4.340 0.000 0.000 0.230 424 R C 2.163 178.378 176.300 -0.141 0.000 1.111 424 R CA 1.160 57.164 56.100 -0.161 0.000 0.976 424 R CB -0.081 30.066 30.300 -0.256 0.000 0.870 424 R HN 0.302 nan 8.270 nan 0.000 0.445 425 K N -0.141 120.179 120.400 -0.134 0.000 2.217 425 K HA -0.108 4.212 4.320 0.000 0.000 0.202 425 K C 1.504 178.061 176.600 -0.071 0.000 1.051 425 K CA 0.909 57.135 56.287 -0.101 0.000 0.952 425 K CB 0.143 32.589 32.500 -0.089 0.000 0.736 425 K HN -0.160 nan 8.250 nan 0.000 0.453 426 K N 0.101 120.462 120.400 -0.066 0.000 2.387 426 K HA 0.179 4.499 4.320 0.000 0.000 0.198 426 K C 1.200 177.772 176.600 -0.047 0.000 1.022 426 K CA 0.061 56.318 56.287 -0.049 0.000 1.128 426 K CB 0.335 32.810 32.500 -0.042 0.000 0.853 426 K HN -0.057 nan 8.250 nan 0.000 0.523 427 M N 0.861 120.427 119.600 -0.057 0.000 2.446 427 M HA -0.129 4.351 4.480 0.000 0.000 0.263 427 M C 0.583 176.859 176.300 -0.041 0.000 1.066 427 M CA 1.367 56.637 55.300 -0.051 0.000 1.087 427 M CB -0.432 32.132 32.600 -0.061 0.000 1.406 427 M HN 0.168 nan 8.290 nan 0.000 0.459 428 D N 0.116 120.493 120.400 -0.039 0.000 2.117 428 D HA -0.080 4.560 4.640 0.000 0.000 0.198 428 D C 1.707 177.991 176.300 -0.026 0.000 0.982 428 D CA 1.216 55.198 54.000 -0.031 0.000 0.828 428 D CB 0.066 40.849 40.800 -0.029 0.000 0.967 428 D HN 0.322 nan 8.370 nan 0.000 0.464 429 L N 0.330 121.537 121.223 -0.026 0.000 2.591 429 L HA 0.192 4.532 4.340 0.000 0.000 0.228 429 L C 0.628 177.485 176.870 -0.022 0.000 1.133 429 L CA 0.287 55.114 54.840 -0.022 0.000 0.880 429 L CB 0.113 42.160 42.059 -0.021 0.000 1.033 429 L HN -0.121 nan 8.230 nan 0.000 0.450 430 I N -1.168 119.386 120.570 -0.025 0.000 2.530 430 I HA 0.375 4.545 4.170 0.000 0.000 0.297 430 I C -0.901 175.202 176.117 -0.024 0.000 1.011 430 I CA -0.526 60.759 61.300 -0.025 0.000 1.107 430 I CB 2.084 40.066 38.000 -0.029 0.000 1.285 430 I HN -0.157 nan 8.210 nan 0.000 0.436 431 D N 3.079 123.466 120.400 -0.021 0.000 2.879 431 D HA 0.312 4.952 4.640 0.000 0.000 0.236 431 D C 0.287 176.576 176.300 -0.018 0.000 1.171 431 D CA -0.537 53.451 54.000 -0.020 0.000 0.868 431 D CB 2.449 43.239 40.800 -0.017 0.000 1.598 431 D HN 0.289 nan 8.370 nan 0.000 0.497 432 L N 2.419 123.631 121.223 -0.018 0.000 2.187 432 L HA -0.070 4.270 4.340 0.000 0.000 0.213 432 L C 1.705 178.567 176.870 -0.014 0.000 1.100 432 L CA 1.705 56.535 54.840 -0.016 0.000 0.765 432 L CB -0.071 41.979 42.059 -0.016 0.000 0.904 432 L HN 0.488 nan 8.230 nan 0.000 0.437 433 E N -0.383 119.809 120.200 -0.013 0.000 2.285 433 E HA -0.048 4.302 4.350 0.000 0.000 0.194 433 E C 0.153 176.746 176.600 -0.011 0.000 0.997 433 E CA 0.189 56.582 56.400 -0.012 0.000 0.845 433 E CB -0.500 29.193 29.700 -0.011 0.000 0.782 433 E HN 0.542 nan 8.360 nan 0.000 0.491 434 D N 1.392 121.784 120.400 -0.013 0.000 2.399 434 D HA -0.031 4.609 4.640 0.000 0.000 0.241 434 D C 1.098 177.391 176.300 -0.012 0.000 1.133 434 D CA 0.098 54.091 54.000 -0.012 0.000 0.890 434 D CB 1.196 41.988 40.800 -0.013 0.000 1.201 434 D HN 0.030 nan 8.370 nan 0.000 0.432 435 E N 0.105 120.298 120.200 -0.012 0.000 2.028 435 E HA -0.098 4.252 4.350 0.000 0.000 0.191 435 E C 0.123 176.715 176.600 -0.013 0.000 0.988 435 E CA 0.929 57.322 56.400 -0.012 0.000 0.799 435 E CB 0.373 30.066 29.700 -0.011 0.000 0.755 435 E HN 0.637 nan 8.360 nan 0.000 0.447 436 T N -1.797 112.749 114.554 -0.013 0.000 2.896 436 T HA 0.520 4.870 4.350 0.000 0.000 0.297 436 T C -0.139 174.552 174.700 -0.015 0.000 1.108 436 T CA -0.820 61.272 62.100 -0.014 0.000 1.004 436 T CB 1.585 70.444 68.868 -0.014 0.000 1.159 436 T HN -0.006 nan 8.240 nan 0.000 0.499 437 I N 1.710 122.271 120.570 -0.016 0.000 2.474 437 I HA 0.185 4.355 4.170 0.000 0.000 0.287 437 I C 0.580 176.688 176.117 -0.015 0.000 1.048 437 I CA -0.272 61.019 61.300 -0.016 0.000 1.383 437 I CB 0.684 38.673 38.000 -0.018 0.000 1.412 437 I HN 0.787 nan 8.210 nan 0.000 0.531 438 D N 4.634 125.025 120.400 -0.015 0.000 2.583 438 D HA -0.010 4.631 4.640 0.000 0.000 0.232 438 D C 1.045 177.337 176.300 -0.013 0.000 1.128 438 D CA 0.676 54.668 54.000 -0.014 0.000 0.859 438 D CB 1.087 41.879 40.800 -0.014 0.000 1.169 438 D HN 0.616 nan 8.370 nan 0.000 0.481 439 A N 3.872 126.684 122.820 -0.012 0.000 1.865 439 A HA -0.263 4.057 4.320 0.000 0.000 0.217 439 A C 1.946 179.523 177.584 -0.011 0.000 1.191 439 A CA 2.070 54.099 52.037 -0.012 0.000 0.623 439 A CB -0.851 18.142 19.000 -0.011 0.000 0.826 439 A HN 0.795 nan 8.150 nan 0.000 0.444 440 E N 0.256 120.450 120.200 -0.011 0.000 2.085 440 E HA -0.149 4.201 4.350 0.000 0.000 0.194 440 E C 1.651 178.244 176.600 -0.011 0.000 0.994 440 E CA 2.021 58.415 56.400 -0.010 0.000 0.801 440 E CB -0.787 28.907 29.700 -0.009 0.000 0.743 440 E HN 0.247 nan 8.360 nan 0.000 0.453 441 V N 0.438 120.344 119.914 -0.013 0.000 2.332 441 V HA -0.269 3.851 4.120 0.000 0.000 0.248 441 V C 2.550 178.635 176.094 -0.015 0.000 1.055 441 V CA 2.089 64.380 62.300 -0.015 0.000 1.038 441 V CB -0.591 31.222 31.823 -0.017 0.000 0.651 441 V HN 0.323 nan 8.190 nan 0.000 0.450 442 M N 0.753 120.345 119.600 -0.014 0.000 2.108 442 M HA -0.187 4.293 4.480 0.000 0.000 0.261 442 M C 1.782 178.075 176.300 -0.011 0.000 1.066 442 M CA 2.153 57.445 55.300 -0.014 0.000 1.107 442 M CB -0.748 31.844 32.600 -0.014 0.000 1.356 442 M HN 0.499 nan 8.290 nan 0.000 0.406 443 N N -1.206 117.488 118.700 -0.010 0.000 2.250 443 N HA -0.092 4.648 4.740 0.000 0.000 0.181 443 N C 1.469 176.976 175.510 -0.005 0.000 1.017 443 N CA 1.287 54.332 53.050 -0.007 0.000 0.866 443 N CB -0.261 38.222 38.487 -0.007 0.000 0.985 443 N HN 0.419 nan 8.380 nan 0.000 0.429 444 S N 0.806 116.502 115.700 -0.007 0.000 2.507 444 S HA -0.010 4.460 4.470 0.000 0.000 0.235 444 S C 0.714 175.311 174.600 -0.005 0.000 0.988 444 S CA 0.162 58.359 58.200 -0.005 0.000 0.944 444 S CB -0.585 62.610 63.200 -0.007 0.000 0.762 444 S HN 0.202 nan 8.310 nan 0.000 0.526 445 L N 2.524 123.743 121.223 -0.007 0.000 2.678 445 L HA 0.341 4.681 4.340 0.000 0.000 0.276 445 L C 0.351 177.222 176.870 0.002 0.000 1.142 445 L CA -0.176 54.659 54.840 -0.007 0.000 0.961 445 L CB -0.209 41.843 42.059 -0.011 0.000 1.291 445 L HN 0.391 nan 8.230 nan 0.000 0.476 446 A N 3.976 126.801 122.820 0.008 0.000 2.374 446 A HA 0.638 4.958 4.320 0.000 0.000 0.305 446 A C -0.670 176.935 177.584 0.035 0.000 1.053 446 A CA -0.527 51.524 52.037 0.024 0.000 0.726 446 A CB 1.617 20.632 19.000 0.025 0.000 1.229 446 A HN 0.264 nan 8.150 nan 0.000 0.431 447 V N 3.392 123.343 119.914 0.062 0.000 2.389 447 V HA 0.354 4.474 4.120 0.000 0.000 0.264 447 V C 1.138 177.329 176.094 0.162 0.000 1.049 447 V CA 0.294 62.642 62.300 0.081 0.000 0.932 447 V CB 0.436 32.301 31.823 0.070 0.000 1.011 447 V HN 1.054 nan 8.190 nan 0.000 0.475 448 T N 2.388 117.020 114.554 0.129 0.000 2.816 448 T HA 0.284 4.634 4.350 0.000 0.000 0.282 448 T C 1.050 175.907 174.700 0.261 0.000 0.993 448 T CA -0.374 61.813 62.100 0.145 0.000 0.994 448 T CB 0.960 69.877 68.868 0.082 0.000 1.025 448 T HN 0.416 nan 8.240 nan 0.000 0.529 449 M N 0.754 120.469 119.600 0.192 0.000 2.117 449 M HA -0.030 4.450 4.480 0.000 0.000 0.262 449 M C 1.780 178.211 176.300 0.220 0.000 1.065 449 M CA 2.042 57.460 55.300 0.197 0.000 1.114 449 M CB -1.240 31.400 32.600 0.068 0.000 1.361 449 M HN 0.906 nan 8.290 nan 0.000 0.408 450 D N -0.145 120.344 120.400 0.148 0.000 2.190 450 D HA -0.210 4.430 4.640 0.000 0.000 0.200 450 D C 1.372 177.770 176.300 0.164 0.000 0.992 450 D CA 1.663 55.743 54.000 0.132 0.000 0.854 450 D CB -0.142 40.708 40.800 0.084 0.000 0.936 450 D HN 0.488 nan 8.370 nan 0.000 0.462 451 D N -0.738 119.751 120.400 0.148 0.000 2.097 451 D HA -0.160 4.481 4.640 0.000 0.000 0.195 451 D C 1.930 178.296 176.300 0.110 0.000 0.989 451 D CA 0.753 54.811 54.000 0.097 0.000 0.827 451 D CB -0.441 40.354 40.800 -0.009 0.000 0.966 451 D HN 0.341 nan 8.370 nan 0.000 0.456 452 F N 1.284 121.291 119.950 0.097 0.000 2.171 452 F HA -0.054 4.472 4.527 -0.000 0.000 0.300 452 F C 2.636 178.468 175.800 0.052 0.000 1.090 452 F CA 0.910 58.948 58.000 0.064 0.000 1.293 452 F CB -0.086 38.927 39.000 0.022 0.000 1.013 452 F HN -0.197 nan 8.300 nan 0.000 0.486 453 R N -1.484 119.166 120.500 0.250 0.000 2.148 453 R HA -0.208 4.132 4.340 0.000 0.000 0.227 453 R C 2.012 178.388 176.300 0.127 0.000 1.103 453 R CA 1.413 57.601 56.100 0.148 0.000 0.983 453 R CB -0.624 29.749 30.300 0.121 0.000 0.874 453 R HN 0.408 nan 8.270 nan 0.000 0.451 454 W N 0.991 122.303 121.300 0.020 0.000 2.409 454 W HA -0.085 4.576 4.660 0.002 0.000 0.299 454 W C 2.146 178.657 176.519 -0.014 0.000 1.203 454 W CA 1.574 58.917 57.345 -0.003 0.000 1.298 454 W CB -0.244 29.206 29.460 -0.018 0.000 1.127 454 W HN 0.050 nan 8.180 nan 0.000 0.528 455 A N 0.307 123.162 122.820 0.059 0.000 1.877 455 A HA -0.200 4.120 4.320 0.000 0.000 0.216 455 A C 2.055 179.537 177.584 -0.169 0.000 1.186 455 A CA 1.866 53.841 52.037 -0.103 0.000 0.620 455 A CB -1.149 17.826 19.000 -0.041 0.000 0.822 455 A HN 0.365 nan 8.150 nan 0.000 0.443 456 L N 0.483 121.660 121.223 -0.076 0.000 2.042 456 L HA -0.238 4.102 4.340 0.000 0.000 0.210 456 L C 3.077 179.873 176.870 -0.123 0.000 1.076 456 L CA 1.797 56.590 54.840 -0.077 0.000 0.749 456 L CB -0.442 41.593 42.059 -0.040 0.000 0.893 456 L HN 0.643 nan 8.230 nan 0.000 0.432 457 S N -1.156 114.430 115.700 -0.190 0.000 2.399 457 S HA -0.204 4.266 4.470 0.000 0.000 0.231 457 S C 1.831 176.266 174.600 -0.276 0.000 1.022 457 S CA 0.869 58.940 58.200 -0.215 0.000 0.983 457 S CB -0.221 62.833 63.200 -0.243 0.000 0.803 457 S HN 0.442 nan 8.310 nan 0.000 0.480 458 Q N 0.935 120.479 119.800 -0.427 0.000 2.408 458 Q HA 0.335 4.675 4.340 0.000 0.000 0.205 458 Q C 0.930 176.805 176.000 -0.208 0.000 0.919 458 Q CA 0.086 55.652 55.803 -0.395 0.000 0.932 458 Q CB -0.157 28.179 28.738 -0.670 0.000 1.058 458 Q HN 0.552 nan 8.270 nan 0.000 0.517 459 S N 1.091 116.710 115.700 -0.134 0.000 2.576 459 S HA 0.131 4.601 4.470 0.000 0.000 0.272 459 S C -0.046 174.547 174.600 -0.012 0.000 1.352 459 S CA -0.084 58.108 58.200 -0.012 0.000 1.021 459 S CB 0.359 63.644 63.200 0.142 0.000 0.887 459 S HN 0.236 nan 8.310 nan 0.000 0.542 460 N N 1.891 120.561 118.700 -0.050 0.000 2.264 460 N HA 0.417 5.157 4.740 0.000 0.000 0.288 460 N C -2.807 172.541 175.510 -0.271 0.000 1.094 460 N CA -1.252 51.726 53.050 -0.120 0.000 0.817 460 N CB 2.204 40.639 38.487 -0.087 0.000 1.604 460 N HN 0.438 nan 8.380 nan 0.000 0.473 461 P HA 0.088 nan 4.420 nan 0.000 0.277 461 P C -0.335 176.880 177.300 -0.142 0.000 1.276 461 P CA -0.291 62.653 63.100 -0.260 0.000 0.788 461 P CB 0.372 31.970 31.700 -0.170 0.000 1.114 462 S N -0.939 114.697 115.700 -0.106 0.000 4.120 462 S HA 0.417 4.887 4.470 0.000 0.000 0.215 462 S C 0.883 175.455 174.600 -0.047 0.000 1.347 462 S CA -0.327 57.836 58.200 -0.063 0.000 0.889 462 S CB -1.668 61.505 63.200 -0.045 0.000 1.585 462 S HN 0.750 nan 8.310 nan 0.000 0.447 463 A N 0.000 122.791 122.820 -0.048 0.000 2.254 463 A HA 0.000 4.320 4.320 0.000 0.000 0.244 463 A CA 0.000 52.017 52.037 -0.034 0.000 0.836 463 A CB 0.000 18.983 19.000 -0.028 0.000 0.831 463 A HN 0.000 nan 8.150 nan 0.000 0.486