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 2nni_1_A DATA FIRST_RESID 28 DATA SEQUENCE KLPPGPTPLP IIGNMLQIDV KDICKSFTNF SKVYGPVFTV YFGMNPIVVF DATA SEQUENCE HGYEAVKEAL IDNGEEFSGR GNSPISQRIT KGLGIISSNG KRWKEIRRFS DATA SEQUENCE LTTLRNFGMG KRSIEDRVQE EAHCLVEELR KTKASPCDPT FILGCAPCNV DATA SEQUENCE ICSVVFQKRF DYKDQNFLTL MKRFNENFRI LNSPWIQVCN NFPLLIDCFP DATA SEQUENCE GTHNKVLKNV ALTRSYIREK VKEHQASLDV NNPRDFIDCF LIKMEQEKDN DATA SEQUENCE QKSEFNIENL VGTVADLFVA GTETTSTTLR YGLLLLLKHP EVTAKVQEEI DATA SEQUENCE DHVIGRHRSP CMQDRSHMPY TDAVVHEIQR YSDLVPTGVP HAVTTDTKFR DATA SEQUENCE NYLIPKGTTI MALLTSVLHD DKEFPNPNIF DPGHFLDKNG NFKKSDYFMP DATA SEQUENCE FSAGKRICAG EGLARMELFL FLTTILQNFN LKSVDDLKNL NTTAVTKGIV DATA SEQUENCE SLPPSYQICF IPV 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 28 K HA 0.000 nan 4.320 nan 0.000 0.191 28 K C 0.000 176.713 176.600 0.189 0.000 0.988 28 K CA 0.000 56.362 56.287 0.125 0.000 0.838 28 K CB 0.000 32.565 32.500 0.109 0.000 1.064 29 L N 1.905 123.195 121.223 0.112 0.000 2.473 29 L HA 0.399 4.739 4.340 -0.001 0.000 0.268 29 L C -1.645 175.222 176.870 -0.005 0.000 1.215 29 L CA -1.818 53.038 54.840 0.028 0.000 0.823 29 L CB 0.199 42.232 42.059 -0.044 0.000 1.099 29 L HN 0.274 nan 8.230 nan 0.000 0.483 30 P HA 0.130 nan 4.420 nan 0.000 0.271 30 P C -2.380 174.750 177.300 -0.282 0.000 1.233 30 P CA -0.800 61.845 63.100 -0.758 0.000 0.789 30 P CB 0.038 31.118 31.700 -1.034 0.000 0.951 31 P HA 0.280 nan 4.420 nan 0.000 0.278 31 P C -0.002 177.098 177.300 -0.334 0.000 1.268 31 P CA 0.423 63.466 63.100 -0.096 0.000 0.813 31 P CB 0.095 31.838 31.700 0.073 0.000 1.180 32 G N -2.523 105.869 108.800 -0.681 0.000 2.352 32 G HA2 0.254 4.214 3.960 -0.001 0.000 0.302 32 G HA3 0.254 4.214 3.960 -0.001 0.000 0.302 32 G C -3.342 170.957 174.900 -1.002 0.000 1.370 32 G CA -0.850 43.523 45.100 -1.212 0.000 0.918 32 G HN 0.210 nan 8.290 nan 0.000 0.610 33 P HA 0.273 nan 4.420 nan 0.000 0.266 33 P C 0.610 177.830 177.300 -0.133 0.000 1.215 33 P CA 0.200 63.116 63.100 -0.306 0.000 0.763 33 P CB 0.372 31.842 31.700 -0.384 0.000 0.806 34 T N 3.453 117.982 114.554 -0.043 0.000 2.867 34 T HA 0.218 4.568 4.350 -0.001 0.000 0.297 34 T C -1.840 172.850 174.700 -0.017 0.000 0.989 34 T CA -1.346 60.740 62.100 -0.025 0.000 1.159 34 T CB -0.394 68.468 68.868 -0.010 0.000 0.928 34 T HN 0.256 nan 8.240 nan 0.000 0.538 35 P HA 0.327 nan 4.420 nan 0.000 0.274 35 P C -0.673 176.599 177.300 -0.048 0.000 1.246 35 P CA -0.774 62.305 63.100 -0.036 0.000 0.795 35 P CB 0.695 32.310 31.700 -0.142 0.000 1.006 36 L N 2.022 123.238 121.223 -0.011 0.000 2.416 36 L HA 0.509 4.848 4.340 -0.001 0.000 0.262 36 L C -1.841 175.012 176.870 -0.029 0.000 1.093 36 L CA -2.170 52.663 54.840 -0.013 0.000 0.801 36 L CB -0.337 41.729 42.059 0.012 0.000 1.191 36 L HN 0.354 nan 8.230 nan 0.000 0.459 37 P HA 0.256 nan 4.420 nan 0.000 0.278 37 P C 0.413 177.696 177.300 -0.028 0.000 1.238 37 P CA -0.249 62.827 63.100 -0.040 0.000 0.794 37 P CB 1.653 33.329 31.700 -0.040 0.000 0.955 38 I N 0.169 120.723 120.570 -0.027 0.000 4.300 38 I HA -0.363 3.807 4.170 -0.001 0.000 0.079 38 I C 1.623 177.737 176.117 -0.005 0.000 0.562 38 I CA 2.108 63.385 61.300 -0.039 0.000 1.126 38 I CB -1.659 36.288 38.000 -0.088 0.000 1.002 38 I HN 0.613 nan 8.210 nan 0.000 0.174 39 I N -2.907 117.686 120.570 0.039 0.000 3.081 39 I HA 0.607 4.777 4.170 -0.001 0.000 0.274 39 I C 1.582 177.866 176.117 0.278 0.000 1.178 39 I CA 0.876 62.300 61.300 0.206 0.000 1.460 39 I CB 0.036 38.132 38.000 0.160 0.000 1.137 39 I HN 0.718 nan 8.210 nan 0.000 0.443 40 G N 2.566 111.463 108.800 0.161 0.000 2.496 40 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.243 40 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.243 40 G C -0.074 174.920 174.900 0.157 0.000 1.176 40 G CA 0.436 45.644 45.100 0.180 0.000 0.940 40 G HN 0.474 nan 8.290 nan 0.000 0.573 41 N N 0.571 119.393 118.700 0.203 0.000 2.280 41 N HA 0.234 4.973 4.740 -0.001 0.000 0.192 41 N C 2.270 177.843 175.510 0.106 0.000 1.109 41 N CA 0.355 53.505 53.050 0.167 0.000 0.855 41 N CB 0.059 38.678 38.487 0.220 0.000 0.974 41 N HN 0.397 nan 8.380 nan 0.000 0.482 42 M N 0.754 120.371 119.600 0.028 0.000 2.513 42 M HA -0.201 4.279 4.480 -0.001 0.000 0.256 42 M C 1.176 177.432 176.300 -0.073 0.000 1.061 42 M CA 1.652 56.879 55.300 -0.121 0.000 1.065 42 M CB -1.402 31.164 32.600 -0.058 0.000 1.279 42 M HN 0.260 nan 8.290 nan 0.000 0.453 43 L N -1.055 120.167 121.223 -0.002 0.000 2.737 43 L HA -0.006 4.334 4.340 -0.001 0.000 0.246 43 L C 1.206 178.089 176.870 0.023 0.000 1.153 43 L CA 0.955 55.794 54.840 -0.003 0.000 0.920 43 L CB -1.618 40.450 42.059 0.015 0.000 1.090 43 L HN 0.403 nan 8.230 nan 0.000 0.430 44 Q N -0.201 119.637 119.800 0.064 0.000 2.164 44 Q HA 0.470 4.810 4.340 -0.001 0.000 0.226 44 Q C -0.138 175.937 176.000 0.126 0.000 0.813 44 Q CA 0.012 55.900 55.803 0.141 0.000 0.978 44 Q CB 1.220 30.116 28.738 0.263 0.000 1.149 44 Q HN 0.524 nan 8.270 nan 0.000 0.489 45 I N 0.984 121.569 120.570 0.025 0.000 2.418 45 I HA 0.206 4.376 4.170 -0.001 0.000 0.287 45 I C -0.806 175.214 176.117 -0.161 0.000 1.008 45 I CA -1.021 60.236 61.300 -0.072 0.000 1.104 45 I CB 1.827 39.790 38.000 -0.061 0.000 1.264 45 I HN -0.085 nan 8.210 nan 0.000 0.438 46 D N 5.289 125.580 120.400 -0.182 0.000 2.349 46 D HA 0.078 4.718 4.640 -0.001 0.000 0.266 46 D C 1.036 177.213 176.300 -0.205 0.000 1.293 46 D CA -0.001 53.894 54.000 -0.175 0.000 0.926 46 D CB 1.165 41.869 40.800 -0.160 0.000 1.090 46 D HN 0.301 nan 8.370 nan 0.000 0.502 47 V N 4.305 124.088 119.914 -0.218 0.000 2.720 47 V HA -0.226 3.894 4.120 -0.001 0.000 0.256 47 V C 2.055 178.034 176.094 -0.193 0.000 1.082 47 V CA 1.471 63.629 62.300 -0.236 0.000 1.101 47 V CB -0.570 31.084 31.823 -0.282 0.000 0.693 47 V HN 0.562 nan 8.190 nan 0.000 0.479 48 K N 0.458 120.755 120.400 -0.173 0.000 1.986 48 K HA -0.087 4.233 4.320 -0.001 0.000 0.215 48 K C 1.092 177.615 176.600 -0.127 0.000 1.033 48 K CA 1.355 57.560 56.287 -0.138 0.000 0.962 48 K CB -0.289 32.140 32.500 -0.118 0.000 0.755 48 K HN 0.262 nan 8.250 nan 0.000 0.444 49 D N 1.598 121.922 120.400 -0.126 0.000 2.845 49 D HA 0.025 4.665 4.640 -0.001 0.000 0.235 49 D C 0.788 176.979 176.300 -0.181 0.000 1.158 49 D CA -0.111 53.814 54.000 -0.125 0.000 0.990 49 D CB -0.392 40.348 40.800 -0.100 0.000 1.094 49 D HN 0.271 nan 8.370 nan 0.000 0.486 50 I N -0.054 120.380 120.570 -0.226 0.000 2.623 50 I HA -0.295 3.874 4.170 -0.001 0.000 0.261 50 I C 1.300 177.098 176.117 -0.532 0.000 1.204 50 I CA 0.909 61.977 61.300 -0.386 0.000 1.444 50 I CB 0.065 37.845 38.000 -0.366 0.000 1.094 50 I HN 0.280 nan 8.210 nan 0.000 0.451 51 C N 1.002 120.139 119.300 -0.273 0.000 2.475 51 C HA -0.067 4.393 4.460 -0.001 0.000 0.279 51 C C 2.629 177.580 174.990 -0.064 0.000 1.322 51 C CA 0.999 59.948 59.018 -0.116 0.000 1.734 51 C CB -0.586 27.158 27.740 0.006 0.000 2.005 51 C HN 0.546 nan 8.230 nan 0.000 0.495 52 K N 1.304 121.637 120.400 -0.111 0.000 2.147 52 K HA -0.067 4.253 4.320 -0.001 0.000 0.205 52 K C 2.076 178.584 176.600 -0.152 0.000 1.049 52 K CA 1.673 57.901 56.287 -0.098 0.000 0.936 52 K CB -0.504 31.933 32.500 -0.105 0.000 0.722 52 K HN 0.350 nan 8.250 nan 0.000 0.446 53 S N -0.029 115.524 115.700 -0.244 0.000 2.348 53 S HA -0.048 4.422 4.470 -0.001 0.000 0.221 53 S C 1.535 175.922 174.600 -0.353 0.000 1.033 53 S CA 1.166 59.130 58.200 -0.392 0.000 1.010 53 S CB -0.411 62.536 63.200 -0.422 0.000 0.891 53 S HN 0.272 nan 8.310 nan 0.000 0.442 54 F N 2.167 122.050 119.950 -0.113 0.000 2.126 54 F HA -0.117 4.410 4.527 -0.000 0.000 0.299 54 F C 2.822 178.649 175.800 0.045 0.000 1.096 54 F CA 1.010 59.110 58.000 0.167 0.000 1.255 54 F CB -1.805 37.352 39.000 0.261 0.000 0.997 54 F HN 0.164 nan 8.300 nan 0.000 0.479 55 T N 0.212 114.843 114.554 0.127 0.000 2.720 55 T HA -0.193 4.156 4.350 -0.001 0.000 0.268 55 T C 1.787 176.420 174.700 -0.111 0.000 1.037 55 T CA 1.574 63.632 62.100 -0.069 0.000 1.144 55 T CB -0.309 68.579 68.868 0.033 0.000 0.864 55 T HN 0.156 nan 8.240 nan 0.000 0.444 56 N N 0.563 119.186 118.700 -0.127 0.000 2.270 56 N HA 0.072 4.812 4.740 -0.001 0.000 0.181 56 N C 1.588 177.048 175.510 -0.082 0.000 1.016 56 N CA 0.792 53.760 53.050 -0.137 0.000 0.870 56 N CB -0.483 37.887 38.487 -0.196 0.000 0.979 56 N HN 0.476 nan 8.380 nan 0.000 0.431 57 F N 1.441 121.321 119.950 -0.118 0.000 2.134 57 F HA -0.194 4.333 4.527 -0.001 0.000 0.299 57 F C 2.653 178.156 175.800 -0.494 0.000 1.097 57 F CA 0.841 58.674 58.000 -0.277 0.000 1.264 57 F CB -0.130 38.611 39.000 -0.431 0.000 1.001 57 F HN 0.105 nan 8.300 nan 0.000 0.479 58 S N 0.437 115.959 115.700 -0.297 0.000 2.383 58 S HA -0.215 4.254 4.470 -0.001 0.000 0.229 58 S C 1.532 176.068 174.600 -0.107 0.000 1.030 58 S CA 1.004 59.076 58.200 -0.213 0.000 1.002 58 S CB -0.579 62.468 63.200 -0.256 0.000 0.829 58 S HN 0.377 nan 8.310 nan 0.000 0.467 59 K N 0.701 121.040 120.400 -0.102 0.000 2.555 59 K HA 0.140 4.460 4.320 -0.001 0.000 0.193 59 K C 0.747 177.268 176.600 -0.131 0.000 1.032 59 K CA 0.674 56.919 56.287 -0.069 0.000 1.004 59 K CB 0.014 32.484 32.500 -0.050 0.000 0.804 59 K HN 0.402 nan 8.250 nan 0.000 0.496 60 V N -1.120 118.653 119.914 -0.235 0.000 3.485 60 V HA 0.054 4.174 4.120 -0.001 0.000 0.280 60 V C 0.147 175.792 176.094 -0.747 0.000 1.495 60 V CA 0.117 62.130 62.300 -0.478 0.000 1.018 60 V CB -0.030 31.433 31.823 -0.600 0.000 0.818 60 V HN 0.175 nan 8.190 nan 0.000 0.436 61 Y N 0.329 120.531 120.300 -0.163 0.000 2.729 61 Y HA 0.605 5.155 4.550 -0.001 0.000 0.266 61 Y C 1.269 177.148 175.900 -0.034 0.000 1.064 61 Y CA -0.021 57.999 58.100 -0.133 0.000 1.251 61 Y CB 0.918 39.219 38.460 -0.266 0.000 1.379 61 Y HN 0.251 nan 8.280 nan 0.000 0.569 62 G N 1.065 109.922 108.800 0.095 0.000 2.660 62 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.215 62 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.215 62 G C -2.021 173.037 174.900 0.264 0.000 1.345 62 G CA -0.493 44.704 45.100 0.161 0.000 0.877 62 G HN 0.026 nan 8.290 nan 0.000 0.549 63 P HA 0.020 nan 4.420 nan 0.000 0.216 63 P C 0.907 178.340 177.300 0.221 0.000 1.157 63 P CA 1.723 64.999 63.100 0.294 0.000 0.880 63 P CB 0.048 31.900 31.700 0.253 0.000 0.791 64 V N -0.062 119.928 119.914 0.126 0.000 2.581 64 V HA 0.566 4.686 4.120 -0.001 0.000 0.303 64 V C -0.295 175.720 176.094 -0.131 0.000 1.041 64 V CA -0.477 61.676 62.300 -0.245 0.000 0.907 64 V CB 1.167 32.817 31.823 -0.288 0.000 0.994 64 V HN 0.068 nan 8.190 nan 0.000 0.442 65 F N 0.542 120.171 119.950 -0.536 0.000 2.744 65 F HA 0.685 5.211 4.527 -0.001 0.000 0.311 65 F C -0.794 174.677 175.800 -0.549 0.000 1.144 65 F CA -0.780 56.924 58.000 -0.493 0.000 0.938 65 F CB 1.363 40.144 39.000 -0.366 0.000 1.292 65 F HN 0.270 nan 8.300 nan 0.000 0.444 66 T N 2.447 116.819 114.554 -0.303 0.000 2.823 66 T HA 0.689 5.038 4.350 -0.001 0.000 0.279 66 T C -0.711 173.806 174.700 -0.305 0.000 0.998 66 T CA -0.545 61.316 62.100 -0.398 0.000 0.994 66 T CB 1.504 70.139 68.868 -0.388 0.000 0.960 66 T HN 1.134 nan 8.240 nan 0.000 0.448 67 V N 0.863 120.579 119.914 -0.330 0.000 2.876 67 V HA 0.728 4.848 4.120 -0.001 0.000 0.312 67 V C -1.931 174.070 176.094 -0.155 0.000 1.085 67 V CA -1.210 61.033 62.300 -0.095 0.000 0.945 67 V CB 1.573 33.507 31.823 0.185 0.000 1.017 67 V HN 0.772 nan 8.190 nan 0.000 0.428 68 Y N 2.775 123.162 120.300 0.146 0.000 2.334 68 Y HA 0.611 5.160 4.550 -0.001 0.000 0.336 68 Y C -0.177 175.952 175.900 0.381 0.000 0.960 68 Y CA -0.994 57.218 58.100 0.188 0.000 1.164 68 Y CB 1.605 40.128 38.460 0.106 0.000 1.155 68 Y HN 0.630 nan 8.280 nan 0.000 0.478 69 F N 3.165 123.191 119.950 0.127 0.000 2.375 69 F HA 0.420 4.947 4.527 -0.000 0.000 0.362 69 F C 1.212 177.075 175.800 0.105 0.000 1.129 69 F CA -0.090 57.948 58.000 0.065 0.000 1.154 69 F CB 0.486 39.476 39.000 -0.016 0.000 1.205 69 F HN 0.870 nan 8.300 nan 0.000 0.513 70 G N 3.660 112.660 108.800 0.333 0.000 2.556 70 G HA2 -0.398 3.562 3.960 -0.001 0.000 0.283 70 G HA3 -0.398 3.562 3.960 -0.001 0.000 0.283 70 G C 0.413 175.548 174.900 0.391 0.000 1.177 70 G CA 0.394 45.835 45.100 0.568 0.000 0.978 70 G HN 0.528 nan 8.290 nan 0.000 0.554 71 M N 2.384 122.181 119.600 0.329 0.000 2.428 71 M HA 0.309 4.789 4.480 -0.001 0.000 0.239 71 M C 0.592 177.067 176.300 0.291 0.000 1.121 71 M CA -0.022 55.425 55.300 0.244 0.000 1.019 71 M CB -0.061 32.636 32.600 0.163 0.000 1.485 71 M HN 0.410 nan 8.290 nan 0.000 0.484 72 N N 2.026 120.891 118.700 0.274 0.000 2.444 72 N HA 0.330 5.069 4.740 -0.001 0.000 0.271 72 N C -2.699 172.856 175.510 0.074 0.000 1.069 72 N CA -1.204 51.946 53.050 0.167 0.000 0.965 72 N CB 0.566 39.110 38.487 0.094 0.000 1.092 72 N HN 0.128 nan 8.380 nan 0.000 0.476 73 P HA 0.430 nan 4.420 nan 0.000 0.281 73 P C -0.569 176.480 177.300 -0.418 0.000 1.249 73 P CA -0.337 62.419 63.100 -0.574 0.000 0.810 73 P CB 1.451 32.860 31.700 -0.485 0.000 1.008 74 I N 1.646 121.907 120.570 -0.514 0.000 2.529 74 I HA 0.167 4.336 4.170 -0.001 0.000 0.284 74 I C -0.181 175.625 176.117 -0.519 0.000 1.088 74 I CA -1.139 59.891 61.300 -0.450 0.000 1.062 74 I CB 2.455 40.149 38.000 -0.510 0.000 1.218 74 I HN 0.047 nan 8.210 nan 0.000 0.442 75 V N 8.311 127.939 119.914 -0.477 0.000 2.368 75 V HA 0.439 4.558 4.120 -0.001 0.000 0.266 75 V C -0.279 175.330 176.094 -0.807 0.000 1.045 75 V CA -0.068 61.846 62.300 -0.643 0.000 0.899 75 V CB 1.430 32.931 31.823 -0.538 0.000 1.006 75 V HN 0.436 nan 8.190 nan 0.000 0.470 76 V N 8.194 127.420 119.914 -1.147 0.000 2.465 76 V HA 0.480 4.600 4.120 -0.001 0.000 0.279 76 V C -0.216 175.151 176.094 -1.213 0.000 1.045 76 V CA -0.260 61.325 62.300 -1.190 0.000 0.938 76 V CB 1.225 32.031 31.823 -1.696 0.000 0.986 76 V HN 0.774 nan 8.190 nan 0.000 0.467 77 F N 3.232 122.868 119.950 -0.524 0.000 2.427 77 F HA 0.514 5.041 4.527 -0.001 0.000 0.346 77 F C 0.082 175.813 175.800 -0.115 0.000 1.120 77 F CA -0.417 57.384 58.000 -0.331 0.000 1.033 77 F CB 1.158 39.932 39.000 -0.378 0.000 1.126 77 F HN 0.524 nan 8.300 nan 0.000 0.462 78 H N 1.502 120.597 119.070 0.043 0.000 2.489 78 H HA 0.680 5.235 4.556 -0.001 0.000 0.343 78 H C -0.052 175.351 175.328 0.124 0.000 1.086 78 H CA -0.055 56.062 56.048 0.115 0.000 1.198 78 H CB 1.399 31.287 29.762 0.209 0.000 1.490 78 H HN 0.895 nan 8.280 nan 0.000 0.504 79 G N 2.988 111.628 108.800 -0.266 0.000 2.675 79 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.686 79 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.686 79 G C -0.024 174.841 174.900 -0.059 0.000 1.215 79 G CA -0.078 44.942 45.100 -0.132 0.000 0.777 79 G HN 0.697 nan 8.290 nan 0.000 0.638 80 Y N 0.623 120.824 120.300 -0.165 0.000 2.040 80 Y HA -0.218 4.332 4.550 -0.001 0.000 0.275 80 Y C 2.666 178.449 175.900 -0.195 0.000 1.171 80 Y CA 3.125 61.041 58.100 -0.306 0.000 1.123 80 Y CB -0.294 37.781 38.460 -0.641 0.000 0.963 80 Y HN 0.809 nan 8.280 nan 0.000 0.493 81 E N -0.324 119.724 120.200 -0.253 0.000 2.085 81 E HA -0.220 4.130 4.350 -0.001 0.000 0.194 81 E C 2.370 178.883 176.600 -0.146 0.000 0.994 81 E CA 1.243 57.498 56.400 -0.242 0.000 0.801 81 E CB -0.406 29.277 29.700 -0.027 0.000 0.743 81 E HN 0.580 nan 8.360 nan 0.000 0.453 82 A N 0.596 123.410 122.820 -0.009 0.000 1.873 82 A HA -0.140 4.180 4.320 -0.001 0.000 0.215 82 A C 2.490 180.003 177.584 -0.117 0.000 1.186 82 A CA 1.256 53.382 52.037 0.148 0.000 0.616 82 A CB -0.691 18.470 19.000 0.269 0.000 0.823 82 A HN 0.132 nan 8.150 nan 0.000 0.442 83 V N 0.647 120.432 119.914 -0.215 0.000 2.392 83 V HA -0.274 3.846 4.120 -0.001 0.000 0.249 83 V C 2.543 178.363 176.094 -0.456 0.000 1.059 83 V CA 2.417 64.496 62.300 -0.369 0.000 1.051 83 V CB -0.701 30.969 31.823 -0.255 0.000 0.658 83 V HN 0.692 nan 8.190 nan 0.000 0.455 84 K N 0.318 120.432 120.400 -0.477 0.000 2.044 84 K HA -0.193 4.127 4.320 -0.001 0.000 0.204 84 K C 2.261 178.665 176.600 -0.328 0.000 1.049 84 K CA 1.619 57.627 56.287 -0.464 0.000 0.945 84 K CB -0.114 31.932 32.500 -0.757 0.000 0.724 84 K HN 0.541 nan 8.250 nan 0.000 0.440 85 E N 0.168 120.221 120.200 -0.245 0.000 2.097 85 E HA -0.226 4.123 4.350 -0.001 0.000 0.196 85 E C 1.661 178.191 176.600 -0.117 0.000 1.000 85 E CA 1.286 57.633 56.400 -0.089 0.000 0.804 85 E CB -0.100 29.633 29.700 0.056 0.000 0.740 85 E HN 0.428 nan 8.360 nan 0.000 0.454 86 A N 0.976 123.546 122.820 -0.417 0.000 1.823 86 A HA -0.104 4.216 4.320 -0.001 0.000 0.214 86 A C 2.220 179.201 177.584 -1.005 0.000 1.225 86 A CA 1.154 52.477 52.037 -1.191 0.000 0.604 86 A CB -0.952 16.664 19.000 -2.306 0.000 0.878 86 A HN 0.290 nan 8.150 nan 0.000 0.450 87 L N -0.722 120.012 121.223 -0.816 0.000 2.043 87 L HA -0.215 4.125 4.340 -0.001 0.000 0.212 87 L C 2.444 179.211 176.870 -0.171 0.000 1.075 87 L CA 1.429 56.024 54.840 -0.408 0.000 0.752 87 L CB -0.494 41.360 42.059 -0.342 0.000 0.891 87 L HN 0.433 nan 8.230 nan 0.000 0.432 88 I N -1.083 119.380 120.570 -0.178 0.000 2.594 88 I HA -0.139 4.031 4.170 -0.001 0.000 0.237 88 I C 2.016 178.112 176.117 -0.036 0.000 1.071 88 I CA 0.608 61.863 61.300 -0.075 0.000 1.427 88 I CB -0.276 37.675 38.000 -0.081 0.000 1.218 88 I HN 0.095 nan 8.210 nan 0.000 0.444 89 D N 1.053 121.419 120.400 -0.057 0.000 2.182 89 D HA -0.137 4.503 4.640 -0.001 0.000 0.201 89 D C 1.020 177.346 176.300 0.044 0.000 0.986 89 D CA 1.233 55.228 54.000 -0.008 0.000 0.847 89 D CB -0.322 40.465 40.800 -0.022 0.000 0.942 89 D HN 0.307 nan 8.370 nan 0.000 0.467 90 N N 0.120 118.863 118.700 0.071 0.000 2.328 90 N HA 0.109 4.849 4.740 -0.001 0.000 0.247 90 N C 1.512 177.165 175.510 0.239 0.000 1.165 90 N CA 0.039 53.209 53.050 0.200 0.000 0.873 90 N CB 1.096 39.818 38.487 0.391 0.000 1.125 90 N HN 0.058 nan 8.380 nan 0.000 0.513 91 G N 2.057 110.935 108.800 0.130 0.000 2.783 91 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.225 91 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.225 91 G C 1.402 176.406 174.900 0.174 0.000 1.191 91 G CA 0.973 46.156 45.100 0.138 0.000 0.774 91 G HN 0.255 nan 8.290 nan 0.000 0.632 92 E N 0.757 121.040 120.200 0.138 0.000 2.065 92 E HA -0.161 4.189 4.350 -0.001 0.000 0.201 92 E C 2.617 179.260 176.600 0.072 0.000 1.016 92 E CA 1.704 58.170 56.400 0.112 0.000 0.818 92 E CB -0.443 29.311 29.700 0.089 0.000 0.749 92 E HN 0.624 nan 8.360 nan 0.000 0.453 93 E N -0.672 119.565 120.200 0.063 0.000 2.204 93 E HA -0.116 4.234 4.350 -0.001 0.000 0.195 93 E C 1.507 177.987 176.600 -0.201 0.000 0.990 93 E CA 0.662 57.017 56.400 -0.075 0.000 0.821 93 E CB -0.238 29.391 29.700 -0.118 0.000 0.750 93 E HN 0.229 nan 8.360 nan 0.000 0.477 94 F N -0.027 119.908 119.950 -0.026 0.000 2.693 94 F HA 0.106 4.632 4.527 -0.001 0.000 0.303 94 F C 1.431 177.241 175.800 0.018 0.000 1.097 94 F CA 0.069 58.054 58.000 -0.024 0.000 1.330 94 F CB 0.303 39.253 39.000 -0.084 0.000 1.067 94 F HN -0.074 nan 8.300 nan 0.000 0.565 95 S N -1.074 114.655 115.700 0.048 0.000 2.671 95 S HA 0.249 4.719 4.470 -0.001 0.000 0.220 95 S C 1.022 175.333 174.600 -0.482 0.000 0.951 95 S CA -0.130 57.983 58.200 -0.144 0.000 0.932 95 S CB -0.538 62.646 63.200 -0.027 0.000 0.777 95 S HN 0.144 nan 8.310 nan 0.000 0.508 96 G N 1.190 109.774 108.800 -0.359 0.000 2.400 96 G HA2 0.515 4.475 3.960 -0.001 0.000 0.301 96 G HA3 0.515 4.475 3.960 -0.001 0.000 0.301 96 G C -0.585 174.049 174.900 -0.443 0.000 1.154 96 G CA -1.188 43.660 45.100 -0.418 0.000 0.852 96 G HN 0.418 nan 8.290 nan 0.000 0.511 97 R N 1.458 121.691 120.500 -0.444 0.000 2.210 97 R HA 0.444 4.784 4.340 -0.001 0.000 0.338 97 R C 0.820 177.011 176.300 -0.181 0.000 1.062 97 R CA -0.079 55.820 56.100 -0.335 0.000 0.902 97 R CB 0.298 30.415 30.300 -0.305 0.000 1.050 97 R HN 0.554 nan 8.270 nan 0.000 0.461 98 G N 3.935 112.669 108.800 -0.110 0.000 2.313 98 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.250 98 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.250 98 G C -0.579 174.284 174.900 -0.061 0.000 1.281 98 G CA -0.330 44.728 45.100 -0.069 0.000 0.917 98 G HN 0.707 nan 8.290 nan 0.000 0.501 99 N N -0.363 118.304 118.700 -0.055 0.000 2.813 99 N HA 0.700 5.440 4.740 -0.001 0.000 0.320 99 N C -0.118 175.380 175.510 -0.020 0.000 1.315 99 N CA -0.130 52.897 53.050 -0.037 0.000 0.871 99 N CB 2.186 40.650 38.487 -0.038 0.000 1.241 99 N HN 0.680 nan 8.380 nan 0.000 0.602 100 S N -1.617 114.078 115.700 -0.008 0.000 2.615 100 S HA 0.341 4.810 4.470 -0.001 0.000 0.268 100 S C -2.597 172.008 174.600 0.009 0.000 1.146 100 S CA -0.768 57.434 58.200 0.003 0.000 0.818 100 S CB 1.840 65.043 63.200 0.005 0.000 1.111 100 S HN 0.223 nan 8.310 nan 0.000 0.465 101 P HA -0.091 nan 4.420 nan 0.000 0.216 101 P C 1.362 178.665 177.300 0.004 0.000 1.153 101 P CA 1.134 64.246 63.100 0.019 0.000 0.858 101 P CB -0.068 31.651 31.700 0.032 0.000 0.789 102 I N -1.145 119.422 120.570 -0.005 0.000 2.110 102 I HA -0.159 4.010 4.170 -0.001 0.000 0.236 102 I C 2.351 178.464 176.117 -0.007 0.000 1.068 102 I CA 1.620 62.906 61.300 -0.024 0.000 1.333 102 I CB -1.809 36.173 38.000 -0.029 0.000 1.054 102 I HN -0.023 nan 8.210 nan 0.000 0.402 103 S N 0.180 115.882 115.700 0.003 0.000 2.392 103 S HA -0.233 4.237 4.470 -0.001 0.000 0.232 103 S C 1.961 176.571 174.600 0.017 0.000 1.041 103 S CA 1.480 59.688 58.200 0.013 0.000 1.026 103 S CB -0.104 63.102 63.200 0.010 0.000 0.845 103 S HN 0.395 nan 8.310 nan 0.000 0.465 104 Q N 0.408 120.216 119.800 0.013 0.000 2.016 104 Q HA -0.002 4.337 4.340 -0.001 0.000 0.200 104 Q C 2.283 178.298 176.000 0.025 0.000 0.978 104 Q CA 1.185 56.999 55.803 0.017 0.000 0.833 104 Q CB -0.437 28.310 28.738 0.015 0.000 0.895 104 Q HN 0.472 nan 8.270 nan 0.000 0.427 105 R N 0.060 120.574 120.500 0.024 0.000 2.285 105 R HA -0.031 4.309 4.340 -0.001 0.000 0.213 105 R C 1.871 178.197 176.300 0.042 0.000 1.068 105 R CA 0.283 56.405 56.100 0.037 0.000 1.004 105 R CB 0.180 30.504 30.300 0.040 0.000 0.873 105 R HN 0.176 nan 8.270 nan 0.000 0.467 106 I N -0.532 120.059 120.570 0.035 0.000 2.385 106 I HA -0.131 4.039 4.170 -0.001 0.000 0.244 106 I C 2.282 178.430 176.117 0.051 0.000 1.089 106 I CA 1.493 62.820 61.300 0.045 0.000 1.410 106 I CB -1.151 36.875 38.000 0.045 0.000 1.117 106 I HN 0.229 nan 8.210 nan 0.000 0.429 107 T N -1.909 112.674 114.554 0.049 0.000 3.009 107 T HA 0.015 4.365 4.350 -0.001 0.000 0.258 107 T C 1.018 175.745 174.700 0.044 0.000 1.063 107 T CA 0.359 62.490 62.100 0.052 0.000 1.139 107 T CB 0.020 68.919 68.868 0.052 0.000 0.890 107 T HN 0.268 nan 8.240 nan 0.000 0.471 108 K N 0.621 121.043 120.400 0.037 0.000 3.339 108 K HA -0.134 4.186 4.320 -0.001 0.000 0.299 108 K C 0.962 177.580 176.600 0.029 0.000 1.270 108 K CA 0.228 56.535 56.287 0.032 0.000 0.875 108 K CB -2.197 30.323 32.500 0.034 0.000 1.298 108 K HN 0.873 nan 8.250 nan 0.000 0.485 109 G N 0.162 108.979 108.800 0.028 0.000 2.162 109 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.260 109 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.260 109 G C 0.142 175.063 174.900 0.036 0.000 0.976 109 G CA 0.641 45.756 45.100 0.026 0.000 0.655 109 G HN 0.233 nan 8.290 nan 0.000 0.533 110 L N -0.015 121.232 121.223 0.040 0.000 2.399 110 L HA 0.638 4.978 4.340 -0.001 0.000 0.266 110 L C 1.381 178.284 176.870 0.055 0.000 1.114 110 L CA 0.509 55.373 54.840 0.042 0.000 0.804 110 L CB 1.200 43.281 42.059 0.038 0.000 1.146 110 L HN 1.094 nan 8.230 nan 0.000 0.451 111 G N 1.541 110.374 108.800 0.055 0.000 2.545 111 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.216 111 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.216 111 G C 0.002 174.974 174.900 0.119 0.000 1.314 111 G CA 0.170 45.315 45.100 0.074 0.000 0.906 111 G HN 0.705 nan 8.290 nan 0.000 0.563 112 I N -0.072 120.583 120.570 0.142 0.000 3.300 112 I HA 0.264 4.433 4.170 -0.001 0.000 0.279 112 I C 2.561 178.831 176.117 0.256 0.000 1.172 112 I CA 0.424 61.857 61.300 0.221 0.000 1.431 112 I CB -0.113 37.996 38.000 0.182 0.000 1.240 112 I HN 0.566 nan 8.210 nan 0.000 0.453 113 I N 0.412 121.076 120.570 0.157 0.000 2.127 113 I HA -0.280 3.889 4.170 -0.001 0.000 0.241 113 I C 2.390 178.545 176.117 0.062 0.000 1.075 113 I CA 1.562 62.932 61.300 0.116 0.000 1.334 113 I CB -0.444 37.605 38.000 0.082 0.000 1.040 113 I HN 0.134 nan 8.210 nan 0.000 0.405 114 S N -0.015 115.717 115.700 0.055 0.000 2.501 114 S HA 0.030 4.500 4.470 -0.001 0.000 0.220 114 S C 1.078 175.672 174.600 -0.009 0.000 0.997 114 S CA 0.266 58.472 58.200 0.011 0.000 0.919 114 S CB -0.103 63.110 63.200 0.022 0.000 0.778 114 S HN 0.557 nan 8.310 nan 0.000 0.523 115 S N 1.791 117.519 115.700 0.047 0.000 2.608 115 S HA 0.382 4.851 4.470 -0.001 0.000 0.261 115 S C -0.037 174.536 174.600 -0.045 0.000 1.314 115 S CA -0.512 57.718 58.200 0.050 0.000 0.992 115 S CB 0.521 63.804 63.200 0.139 0.000 0.935 115 S HN 0.340 nan 8.310 nan 0.000 0.564 116 N N -1.262 117.428 118.700 -0.017 0.000 2.972 116 N HA 0.580 5.320 4.740 -0.001 0.000 0.262 116 N C 0.374 175.921 175.510 0.063 0.000 1.478 116 N CA 0.243 53.228 53.050 -0.108 0.000 0.841 116 N CB 1.272 39.658 38.487 -0.169 0.000 1.512 116 N HN 1.081 nan 8.380 nan 0.000 0.548 117 G N 1.274 110.106 108.800 0.052 0.000 2.578 117 G HA2 -0.380 3.579 3.960 -0.001 0.000 0.284 117 G HA3 -0.380 3.579 3.960 -0.001 0.000 0.284 117 G C 0.902 175.917 174.900 0.192 0.000 1.283 117 G CA 1.078 46.246 45.100 0.112 0.000 0.944 117 G HN 0.789 nan 8.290 nan 0.000 0.558 118 K N 0.262 120.735 120.400 0.120 0.000 2.059 118 K HA -0.223 4.097 4.320 -0.001 0.000 0.212 118 K C 2.576 179.234 176.600 0.097 0.000 1.050 118 K CA 2.269 58.617 56.287 0.101 0.000 0.927 118 K CB -0.256 32.280 32.500 0.060 0.000 0.714 118 K HN 0.533 nan 8.250 nan 0.000 0.447 119 R N -0.554 119.997 120.500 0.084 0.000 2.159 119 R HA -0.192 4.148 4.340 -0.001 0.000 0.237 119 R C 2.029 178.398 176.300 0.115 0.000 1.131 119 R CA 1.802 57.933 56.100 0.051 0.000 0.982 119 R CB -0.427 29.896 30.300 0.038 0.000 0.868 119 R HN 0.529 nan 8.270 nan 0.000 0.453 120 W N 1.305 122.596 121.300 -0.015 0.000 2.418 120 W HA -0.038 4.622 4.660 -0.001 0.000 0.319 120 W C 1.531 178.066 176.519 0.027 0.000 1.183 120 W CA 1.485 58.832 57.345 0.003 0.000 1.327 120 W CB -0.289 29.170 29.460 -0.003 0.000 1.163 120 W HN -0.114 nan 8.180 nan 0.000 0.479 121 K N 0.142 120.559 120.400 0.028 0.000 2.107 121 K HA -0.292 4.028 4.320 -0.001 0.000 0.211 121 K C 1.899 178.398 176.600 -0.168 0.000 1.049 121 K CA 2.358 58.501 56.287 -0.240 0.000 0.927 121 K CB -0.472 32.035 32.500 0.011 0.000 0.714 121 K HN 0.352 nan 8.250 nan 0.000 0.452 122 E N 0.143 120.319 120.200 -0.041 0.000 2.107 122 E HA -0.098 4.251 4.350 -0.001 0.000 0.191 122 E C 2.031 178.686 176.600 0.092 0.000 0.982 122 E CA 0.579 57.007 56.400 0.046 0.000 0.809 122 E CB 0.153 29.877 29.700 0.040 0.000 0.756 122 E HN 0.204 nan 8.360 nan 0.000 0.459 123 I N 0.676 121.223 120.570 -0.039 0.000 2.353 123 I HA -0.186 3.984 4.170 -0.001 0.000 0.248 123 I C 2.508 178.719 176.117 0.157 0.000 1.119 123 I CA 1.032 62.370 61.300 0.062 0.000 1.417 123 I CB -0.677 37.338 38.000 0.025 0.000 1.078 123 I HN 0.102 nan 8.210 nan 0.000 0.421 124 R N 1.245 121.678 120.500 -0.112 0.000 2.066 124 R HA -0.180 4.159 4.340 -0.001 0.000 0.232 124 R C 2.477 178.739 176.300 -0.063 0.000 1.131 124 R CA 1.417 57.407 56.100 -0.183 0.000 0.955 124 R CB -0.171 29.729 30.300 -0.667 0.000 0.851 124 R HN 0.138 nan 8.270 nan 0.000 0.432 125 R N -0.328 120.125 120.500 -0.078 0.000 2.105 125 R HA -0.184 4.156 4.340 -0.001 0.000 0.239 125 R C 2.101 178.449 176.300 0.079 0.000 1.135 125 R CA 1.907 57.997 56.100 -0.016 0.000 0.967 125 R CB -0.474 29.819 30.300 -0.012 0.000 0.861 125 R HN 0.329 nan 8.270 nan 0.000 0.442 126 F N 0.565 120.559 119.950 0.073 0.000 2.206 126 F HA -0.029 4.498 4.527 -0.001 0.000 0.298 126 F C 1.919 177.786 175.800 0.112 0.000 1.090 126 F CA 1.558 59.615 58.000 0.096 0.000 1.323 126 F CB -0.297 38.864 39.000 0.269 0.000 1.028 126 F HN -0.053 nan 8.300 nan 0.000 0.492 127 S N 1.322 117.216 115.700 0.323 0.000 2.355 127 S HA -0.092 4.377 4.470 -0.001 0.000 0.222 127 S C 2.152 176.796 174.600 0.073 0.000 1.031 127 S CA 1.353 59.735 58.200 0.303 0.000 0.993 127 S CB -0.583 62.856 63.200 0.399 0.000 0.859 127 S HN 0.391 nan 8.310 nan 0.000 0.453 128 L N 1.367 122.599 121.223 0.016 0.000 2.042 128 L HA -0.146 4.194 4.340 -0.001 0.000 0.210 128 L C 3.004 179.833 176.870 -0.068 0.000 1.076 128 L CA 1.802 56.624 54.840 -0.029 0.000 0.749 128 L CB -1.266 40.768 42.059 -0.043 0.000 0.893 128 L HN 0.524 nan 8.230 nan 0.000 0.432 129 T N -5.359 109.126 114.554 -0.116 0.000 2.942 129 T HA -0.171 4.178 4.350 -0.001 0.000 0.265 129 T C 1.824 176.411 174.700 -0.187 0.000 1.062 129 T CA 1.406 63.424 62.100 -0.137 0.000 1.139 129 T CB -0.351 68.432 68.868 -0.142 0.000 0.883 129 T HN 0.188 nan 8.240 nan 0.000 0.468 130 T N 0.480 114.843 114.554 -0.318 0.000 3.035 130 T HA 0.228 4.577 4.350 -0.001 0.000 0.268 130 T C 1.334 175.977 174.700 -0.095 0.000 1.109 130 T CA 0.348 62.240 62.100 -0.346 0.000 1.119 130 T CB -0.539 67.851 68.868 -0.798 0.000 0.900 130 T HN 0.451 nan 8.240 nan 0.000 0.503 131 L N 0.977 122.180 121.223 -0.033 0.000 2.653 131 L HA 0.350 4.690 4.340 -0.001 0.000 0.231 131 L C 0.886 177.728 176.870 -0.048 0.000 1.153 131 L CA -0.319 54.523 54.840 0.004 0.000 0.933 131 L CB 0.055 42.123 42.059 0.015 0.000 1.175 131 L HN 0.034 nan 8.230 nan 0.000 0.473 132 R N 0.048 120.514 120.500 -0.056 0.000 2.582 132 R HA 0.003 4.343 4.340 -0.001 0.000 0.271 132 R C 1.055 177.305 176.300 -0.083 0.000 1.078 132 R CA -0.283 55.783 56.100 -0.056 0.000 1.127 132 R CB 0.342 30.626 30.300 -0.027 0.000 1.038 132 R HN -0.071 nan 8.270 nan 0.000 0.500 133 N N 0.802 119.424 118.700 -0.129 0.000 2.242 133 N HA -0.226 4.514 4.740 -0.001 0.000 0.193 133 N C 0.272 175.463 175.510 -0.531 0.000 1.000 133 N CA 1.876 54.738 53.050 -0.314 0.000 0.885 133 N CB 0.076 38.357 38.487 -0.343 0.000 0.988 133 N HN 0.525 nan 8.380 nan 0.000 0.444 134 F N -2.215 117.706 119.950 -0.047 0.000 2.767 134 F HA 0.439 4.966 4.527 -0.001 0.000 0.323 134 F C 2.027 177.798 175.800 -0.048 0.000 1.091 134 F CA -0.012 57.962 58.000 -0.043 0.000 1.192 134 F CB -0.083 38.892 39.000 -0.043 0.000 1.056 134 F HN -0.023 nan 8.300 nan 0.000 0.571 135 G N 0.451 109.291 108.800 0.066 0.000 2.621 135 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.215 135 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.215 135 G C 1.172 176.059 174.900 -0.023 0.000 1.127 135 G CA 0.817 45.914 45.100 -0.005 0.000 0.747 135 G HN 0.325 nan 8.290 nan 0.000 0.561 136 M N -0.109 119.501 119.600 0.017 0.000 2.412 136 M HA 0.383 4.863 4.480 -0.001 0.000 0.315 136 M C 0.813 177.142 176.300 0.049 0.000 1.092 136 M CA 0.404 55.718 55.300 0.023 0.000 0.974 136 M CB 1.131 33.758 32.600 0.045 0.000 1.437 136 M HN 0.244 nan 8.290 nan 0.000 0.524 137 G N 1.005 109.847 108.800 0.070 0.000 2.298 137 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.309 137 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.309 137 G C -0.239 174.738 174.900 0.128 0.000 1.279 137 G CA -0.748 44.397 45.100 0.075 0.000 1.042 137 G HN 0.208 nan 8.290 nan 0.000 0.480 138 K N -0.123 120.335 120.400 0.097 0.000 2.097 138 K HA -0.062 4.257 4.320 -0.001 0.000 0.206 138 K C 1.591 178.303 176.600 0.186 0.000 1.049 138 K CA 1.107 57.463 56.287 0.116 0.000 0.933 138 K CB 0.063 32.598 32.500 0.058 0.000 0.717 138 K HN 0.384 nan 8.250 nan 0.000 0.442 139 R N 2.513 123.085 120.500 0.121 0.000 2.220 139 R HA 0.037 4.376 4.340 -0.001 0.000 0.340 139 R C -0.391 175.908 176.300 -0.002 0.000 1.076 139 R CA -0.181 55.964 56.100 0.075 0.000 0.920 139 R CB 0.572 30.891 30.300 0.032 0.000 1.062 139 R HN 0.087 nan 8.270 nan 0.000 0.469 140 S N 3.737 119.365 115.700 -0.119 0.000 2.569 140 S HA -0.016 4.454 4.470 -0.001 0.000 0.274 140 S C 1.604 176.024 174.600 -0.301 0.000 1.353 140 S CA -0.479 57.403 58.200 -0.531 0.000 1.023 140 S CB 0.610 63.218 63.200 -0.985 0.000 0.876 140 S HN 0.662 nan 8.310 nan 0.000 0.540 141 I N 0.913 121.295 120.570 -0.314 0.000 2.252 141 I HA -0.153 4.016 4.170 -0.001 0.000 0.245 141 I C 2.798 178.804 176.117 -0.184 0.000 1.102 141 I CA 1.765 62.950 61.300 -0.193 0.000 1.385 141 I CB -0.567 37.330 38.000 -0.172 0.000 1.064 141 I HN 0.924 nan 8.210 nan 0.000 0.414 142 E N 1.371 121.432 120.200 -0.231 0.000 2.114 142 E HA -0.353 3.996 4.350 -0.001 0.000 0.199 142 E C 1.706 178.223 176.600 -0.137 0.000 1.008 142 E CA 2.185 58.477 56.400 -0.180 0.000 0.810 142 E CB -0.082 29.507 29.700 -0.185 0.000 0.739 142 E HN 0.447 nan 8.360 nan 0.000 0.456 143 D N -0.672 119.648 120.400 -0.133 0.000 2.178 143 D HA -0.133 4.506 4.640 -0.001 0.000 0.201 143 D C 1.938 178.198 176.300 -0.067 0.000 0.980 143 D CA 1.142 55.093 54.000 -0.082 0.000 0.842 143 D CB 0.110 40.872 40.800 -0.064 0.000 0.948 143 D HN 0.135 nan 8.370 nan 0.000 0.472 144 R N -0.521 119.934 120.500 -0.074 0.000 2.073 144 R HA 0.009 4.348 4.340 -0.001 0.000 0.229 144 R C 2.406 178.677 176.300 -0.048 0.000 1.120 144 R CA 0.900 56.972 56.100 -0.046 0.000 0.967 144 R CB -0.274 30.001 30.300 -0.041 0.000 0.862 144 R HN 0.100 nan 8.270 nan 0.000 0.436 145 V N 1.170 121.022 119.914 -0.102 0.000 2.307 145 V HA -0.249 3.871 4.120 -0.001 0.000 0.245 145 V C 2.243 178.235 176.094 -0.169 0.000 1.045 145 V CA 1.735 63.924 62.300 -0.185 0.000 1.024 145 V CB -0.564 31.098 31.823 -0.268 0.000 0.651 145 V HN 0.330 nan 8.190 nan 0.000 0.449 146 Q N -0.243 119.490 119.800 -0.113 0.000 2.096 146 Q HA -0.292 4.048 4.340 -0.001 0.000 0.204 146 Q C 2.376 178.384 176.000 0.014 0.000 0.982 146 Q CA 2.085 57.857 55.803 -0.053 0.000 0.850 146 Q CB -0.214 28.500 28.738 -0.040 0.000 0.901 146 Q HN 0.766 nan 8.270 nan 0.000 0.422 147 E N 0.644 120.848 120.200 0.007 0.000 2.077 147 E HA -0.255 4.094 4.350 -0.001 0.000 0.193 147 E C 1.795 178.468 176.600 0.121 0.000 0.989 147 E CA 1.186 57.609 56.400 0.038 0.000 0.800 147 E CB 0.121 29.823 29.700 0.003 0.000 0.746 147 E HN 0.172 nan 8.360 nan 0.000 0.452 148 E N 0.559 120.829 120.200 0.117 0.000 2.047 148 E HA -0.111 4.238 4.350 -0.001 0.000 0.191 148 E C 1.811 178.629 176.600 0.363 0.000 0.987 148 E CA 1.490 58.025 56.400 0.225 0.000 0.799 148 E CB -0.428 29.451 29.700 0.298 0.000 0.752 148 E HN 0.351 nan 8.360 nan 0.000 0.449 149 A N -0.312 122.717 122.820 0.348 0.000 2.084 149 A HA -0.263 4.056 4.320 -0.001 0.000 0.221 149 A C 2.026 179.773 177.584 0.271 0.000 1.161 149 A CA 2.098 54.384 52.037 0.416 0.000 0.653 149 A CB -0.926 18.181 19.000 0.179 0.000 0.802 149 A HN 0.519 nan 8.150 nan 0.000 0.457 150 H N -0.644 118.504 119.070 0.129 0.000 2.268 150 H HA -0.121 4.434 4.556 -0.001 0.000 0.304 150 H C 2.081 177.464 175.328 0.091 0.000 1.064 150 H CA 2.274 58.372 56.048 0.084 0.000 1.316 150 H CB -0.668 29.119 29.762 0.042 0.000 1.386 150 H HN 0.407 nan 8.280 nan 0.000 0.496 151 C N 0.585 119.930 119.300 0.075 0.000 2.411 151 C HA -0.092 4.367 4.460 -0.001 0.000 0.279 151 C C 2.812 177.861 174.990 0.098 0.000 1.288 151 C CA 0.802 59.823 59.018 0.005 0.000 1.764 151 C CB -1.357 26.345 27.740 -0.064 0.000 1.974 151 C HN 0.604 nan 8.230 nan 0.000 0.498 152 L N 1.265 122.571 121.223 0.139 0.000 1.994 152 L HA -0.081 4.258 4.340 -0.001 0.000 0.208 152 L C 2.567 179.433 176.870 -0.008 0.000 1.071 152 L CA 1.902 56.783 54.840 0.067 0.000 0.745 152 L CB -0.835 41.229 42.059 0.008 0.000 0.892 152 L HN 0.195 nan 8.230 nan 0.000 0.431 153 V N -0.332 119.601 119.914 0.032 0.000 2.469 153 V HA -0.254 3.865 4.120 -0.001 0.000 0.251 153 V C 2.664 178.815 176.094 0.096 0.000 1.064 153 V CA 1.701 64.079 62.300 0.130 0.000 1.066 153 V CB -0.671 31.206 31.823 0.089 0.000 0.667 153 V HN 0.448 nan 8.190 nan 0.000 0.461 154 E N -0.112 120.054 120.200 -0.057 0.000 2.072 154 E HA -0.142 4.208 4.350 -0.001 0.000 0.191 154 E C 2.342 178.959 176.600 0.027 0.000 0.985 154 E CA 0.866 57.240 56.400 -0.043 0.000 0.801 154 E CB -0.265 29.359 29.700 -0.126 0.000 0.750 154 E HN 0.491 nan 8.360 nan 0.000 0.452 155 E N 0.144 120.363 120.200 0.031 0.000 2.110 155 E HA -0.126 4.223 4.350 -0.001 0.000 0.193 155 E C 2.240 178.791 176.600 -0.081 0.000 0.988 155 E CA 0.530 56.936 56.400 0.010 0.000 0.804 155 E CB -0.181 29.516 29.700 -0.005 0.000 0.745 155 E HN 0.310 nan 8.360 nan 0.000 0.458 156 L N 0.235 121.350 121.223 -0.180 0.000 2.131 156 L HA -0.148 4.191 4.340 -0.001 0.000 0.210 156 L C 2.603 179.351 176.870 -0.204 0.000 1.092 156 L CA 0.941 55.519 54.840 -0.437 0.000 0.759 156 L CB -0.268 41.220 42.059 -0.952 0.000 0.903 156 L HN 0.043 nan 8.230 nan 0.000 0.435 157 R N 0.153 120.738 120.500 0.142 0.000 2.092 157 R HA -0.142 4.198 4.340 -0.001 0.000 0.231 157 R C 2.215 178.584 176.300 0.115 0.000 1.119 157 R CA 1.009 57.266 56.100 0.261 0.000 0.970 157 R CB -0.179 30.261 30.300 0.233 0.000 0.864 157 R HN 0.320 nan 8.270 nan 0.000 0.440 158 K N 0.084 120.520 120.400 0.061 0.000 2.218 158 K HA -0.149 4.171 4.320 -0.001 0.000 0.205 158 K C 2.085 178.709 176.600 0.040 0.000 1.046 158 K CA 1.791 58.106 56.287 0.047 0.000 0.933 158 K CB -0.242 32.282 32.500 0.040 0.000 0.728 158 K HN 0.334 nan 8.250 nan 0.000 0.454 159 T N -1.024 113.543 114.554 0.022 0.000 2.962 159 T HA -0.098 4.252 4.350 -0.001 0.000 0.270 159 T C 0.462 175.196 174.700 0.057 0.000 1.088 159 T CA 0.639 62.760 62.100 0.035 0.000 1.127 159 T CB -0.289 68.605 68.868 0.044 0.000 0.883 159 T HN 0.229 nan 8.240 nan 0.000 0.493 160 K N 0.522 120.966 120.400 0.074 0.000 3.125 160 K HA -0.166 4.153 4.320 -0.001 0.000 0.268 160 K C 0.851 177.503 176.600 0.086 0.000 1.078 160 K CA 0.208 56.545 56.287 0.083 0.000 0.775 160 K CB -2.259 30.277 32.500 0.061 0.000 1.253 160 K HN 0.894 nan 8.250 nan 0.000 0.486 161 A N -1.414 121.472 122.820 0.109 0.000 3.420 161 A HA -0.329 3.990 4.320 -0.001 0.000 0.269 161 A C 0.723 178.342 177.584 0.059 0.000 1.122 161 A CA 1.820 53.917 52.037 0.100 0.000 1.023 161 A CB -2.142 16.919 19.000 0.101 0.000 1.099 161 A HN 1.239 nan 8.150 nan 0.000 0.860 162 S N 0.850 116.583 115.700 0.054 0.000 2.564 162 S HA 0.523 4.993 4.470 -0.001 0.000 0.278 162 S C -1.653 172.963 174.600 0.026 0.000 1.333 162 S CA -0.644 57.577 58.200 0.034 0.000 1.048 162 S CB 0.591 63.811 63.200 0.033 0.000 0.900 162 S HN 0.567 nan 8.310 nan 0.000 0.505 163 P HA 0.196 nan 4.420 nan 0.000 0.265 163 P C 0.035 177.341 177.300 0.010 0.000 1.187 163 P CA -0.232 62.865 63.100 -0.005 0.000 0.766 163 P CB -0.077 31.618 31.700 -0.008 0.000 0.820 164 C N 0.543 119.849 119.300 0.010 0.000 3.306 164 C HA 0.523 4.982 4.460 -0.001 0.000 0.335 164 C C -1.143 173.849 174.990 0.004 0.000 1.382 164 C CA -0.848 58.183 59.018 0.021 0.000 1.254 164 C CB 1.374 29.149 27.740 0.059 0.000 1.555 164 C HN 0.489 nan 8.230 nan 0.000 0.463 165 D N 2.212 122.599 120.400 -0.021 0.000 2.396 165 D HA 0.440 5.080 4.640 -0.001 0.000 0.225 165 D C -0.960 175.307 176.300 -0.056 0.000 1.121 165 D CA -1.899 52.043 54.000 -0.097 0.000 0.853 165 D CB 1.407 42.147 40.800 -0.101 0.000 1.043 165 D HN 0.545 nan 8.370 nan 0.000 0.500 166 P HA -0.074 nan 4.420 nan 0.000 0.239 166 P C 1.060 178.325 177.300 -0.058 0.000 1.184 166 P CA 0.356 63.474 63.100 0.030 0.000 0.760 166 P CB 0.308 32.126 31.700 0.195 0.000 0.884 167 T N 0.283 114.773 114.554 -0.106 0.000 2.624 167 T HA -0.221 4.128 4.350 -0.001 0.000 0.268 167 T C 1.353 176.032 174.700 -0.035 0.000 1.041 167 T CA 1.611 63.659 62.100 -0.086 0.000 1.159 167 T CB -0.948 67.871 68.868 -0.083 0.000 0.863 167 T HN 0.081 nan 8.240 nan 0.000 0.434 168 F N 1.376 121.256 119.950 -0.117 0.000 2.113 168 F HA 0.018 4.545 4.527 -0.001 0.000 0.297 168 F C 2.036 177.745 175.800 -0.151 0.000 1.103 168 F CA 0.726 58.657 58.000 -0.115 0.000 1.248 168 F CB -0.585 38.356 39.000 -0.099 0.000 0.999 168 F HN 0.111 nan 8.300 nan 0.000 0.475 169 I N -0.389 119.952 120.570 -0.381 0.000 2.142 169 I HA -0.308 3.862 4.170 -0.001 0.000 0.240 169 I C 2.248 178.069 176.117 -0.494 0.000 1.078 169 I CA 0.901 61.879 61.300 -0.536 0.000 1.343 169 I CB -0.639 37.163 38.000 -0.330 0.000 1.046 169 I HN 0.133 nan 8.210 nan 0.000 0.405 170 L N 0.907 121.933 121.223 -0.328 0.000 2.187 170 L HA -0.137 4.202 4.340 -0.001 0.000 0.213 170 L C 2.407 179.101 176.870 -0.293 0.000 1.100 170 L CA 1.921 56.587 54.840 -0.290 0.000 0.765 170 L CB -1.514 40.449 42.059 -0.160 0.000 0.904 170 L HN 0.255 nan 8.230 nan 0.000 0.437 171 G N -2.481 106.147 108.800 -0.287 0.000 2.430 171 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.216 171 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.216 171 G C 1.616 176.396 174.900 -0.200 0.000 1.146 171 G CA 0.685 45.652 45.100 -0.222 0.000 0.793 171 G HN 0.455 nan 8.290 nan 0.000 0.537 172 C N 1.014 120.112 119.300 -0.337 0.000 2.419 172 C HA 0.225 4.684 4.460 -0.001 0.000 0.281 172 C C 3.398 178.463 174.990 0.125 0.000 1.336 172 C CA 0.616 59.590 59.018 -0.073 0.000 1.770 172 C CB -0.847 26.555 27.740 -0.564 0.000 1.929 172 C HN 0.556 nan 8.230 nan 0.000 0.509 173 A N 1.806 124.563 122.820 -0.105 0.000 1.840 173 A HA -0.036 4.284 4.320 -0.001 0.000 0.214 173 A C 0.194 177.844 177.584 0.109 0.000 1.198 173 A CA 1.522 53.522 52.037 -0.061 0.000 0.608 173 A CB -1.832 16.778 19.000 -0.650 0.000 0.839 173 A HN 0.412 nan 8.150 nan 0.000 0.443 174 P HA -0.105 nan 4.420 nan 0.000 0.218 174 P C 1.726 179.111 177.300 0.142 0.000 1.149 174 P CA 1.198 64.383 63.100 0.143 0.000 0.817 174 P CB -0.229 31.501 31.700 0.051 0.000 0.785 175 C N -1.172 118.233 119.300 0.175 0.000 2.467 175 C HA 0.075 4.535 4.460 -0.001 0.000 0.279 175 C C 2.454 177.718 174.990 0.457 0.000 1.347 175 C CA 0.881 60.067 59.018 0.280 0.000 1.748 175 C CB -2.088 25.799 27.740 0.245 0.000 1.977 175 C HN 0.142 nan 8.230 nan 0.000 0.501 176 N N 0.259 119.241 118.700 0.471 0.000 2.354 176 N HA -0.029 4.711 4.740 -0.001 0.000 0.179 176 N C 1.603 177.281 175.510 0.279 0.000 1.021 176 N CA 1.123 54.442 53.050 0.448 0.000 0.887 176 N CB -0.117 38.549 38.487 0.298 0.000 0.974 176 N HN 0.366 nan 8.380 nan 0.000 0.437 177 V N 1.126 121.173 119.914 0.223 0.000 2.343 177 V HA -0.193 3.927 4.120 -0.001 0.000 0.247 177 V C 2.144 178.245 176.094 0.011 0.000 1.051 177 V CA 1.051 63.425 62.300 0.123 0.000 1.036 177 V CB -0.362 31.541 31.823 0.132 0.000 0.654 177 V HN 0.301 nan 8.190 nan 0.000 0.451 178 I N -0.640 119.894 120.570 -0.060 0.000 2.179 178 I HA -0.234 3.936 4.170 -0.001 0.000 0.242 178 I C 2.687 178.618 176.117 -0.310 0.000 1.088 178 I CA 1.499 62.589 61.300 -0.349 0.000 1.357 178 I CB -1.482 36.089 38.000 -0.714 0.000 1.051 178 I HN 0.374 nan 8.210 nan 0.000 0.409 179 C N 0.350 119.688 119.300 0.064 0.000 2.398 179 C HA -0.208 4.252 4.460 -0.001 0.000 0.276 179 C C 3.370 178.461 174.990 0.169 0.000 1.222 179 C CA 1.736 60.956 59.018 0.336 0.000 1.746 179 C CB -1.097 27.138 27.740 0.825 0.000 2.039 179 C HN 0.606 nan 8.230 nan 0.000 0.470 180 S N 0.004 115.782 115.700 0.130 0.000 2.399 180 S HA -0.108 4.361 4.470 -0.001 0.000 0.231 180 S C 1.669 176.289 174.600 0.034 0.000 1.022 180 S CA 1.852 60.101 58.200 0.082 0.000 0.983 180 S CB -0.130 63.105 63.200 0.059 0.000 0.803 180 S HN 0.433 nan 8.310 nan 0.000 0.480 181 V N 1.627 121.516 119.914 -0.043 0.000 2.649 181 V HA -0.009 4.111 4.120 -0.001 0.000 0.248 181 V C 2.411 178.486 176.094 -0.032 0.000 1.054 181 V CA 1.382 63.650 62.300 -0.054 0.000 1.073 181 V CB 0.105 31.851 31.823 -0.129 0.000 0.699 181 V HN 0.664 nan 8.190 nan 0.000 0.463 182 V N -4.918 114.884 119.914 -0.186 0.000 3.263 182 V HA 0.238 4.358 4.120 -0.001 0.000 0.248 182 V C 1.412 177.501 176.094 -0.009 0.000 1.145 182 V CA 0.705 62.891 62.300 -0.191 0.000 1.107 182 V CB -0.307 31.177 31.823 -0.564 0.000 0.797 182 V HN 0.336 nan 8.190 nan 0.000 0.467 183 F N 3.300 123.380 119.950 0.217 0.000 2.772 183 F HA 0.427 4.953 4.527 -0.001 0.000 0.302 183 F C 1.609 177.553 175.800 0.239 0.000 1.136 183 F CA -0.782 57.390 58.000 0.286 0.000 1.322 183 F CB -0.234 38.937 39.000 0.286 0.000 0.967 183 F HN 0.450 nan 8.300 nan 0.000 0.513 184 Q N 0.820 120.825 119.800 0.341 0.000 2.070 184 Q HA -0.396 3.944 4.340 -0.001 0.000 0.177 184 Q C -0.257 175.804 176.000 0.101 0.000 2.921 184 Q CA 2.123 58.038 55.803 0.186 0.000 0.206 184 Q CB -1.680 27.140 28.738 0.137 0.000 0.258 184 Q HN 0.442 nan 8.270 nan 0.000 0.373 185 K N 3.342 123.779 120.400 0.063 0.000 2.118 185 K HA 0.568 4.887 4.320 -0.001 0.000 0.267 185 K C 0.021 176.590 176.600 -0.052 0.000 0.991 185 K CA -0.260 56.014 56.287 -0.022 0.000 0.916 185 K CB 1.101 33.550 32.500 -0.085 0.000 1.041 185 K HN 0.609 nan 8.250 nan 0.000 0.455 186 R N 1.191 121.660 120.500 -0.052 0.000 2.500 186 R HA 0.376 4.715 4.340 -0.001 0.000 0.275 186 R C -0.868 175.361 176.300 -0.118 0.000 1.051 186 R CA -0.649 55.440 56.100 -0.019 0.000 1.088 186 R CB 0.364 30.655 30.300 -0.015 0.000 1.063 186 R HN 0.464 nan 8.270 nan 0.000 0.511 187 F N 0.169 120.112 119.950 -0.010 0.000 2.368 187 F HA 0.134 4.661 4.527 -0.000 0.000 0.315 187 F C 1.034 176.664 175.800 -0.283 0.000 1.145 187 F CA -0.120 57.842 58.000 -0.063 0.000 1.095 187 F CB 0.721 39.750 39.000 0.049 0.000 1.286 187 F HN 0.586 nan 8.300 nan 0.000 0.530 188 D N 0.457 120.876 120.400 0.032 0.000 2.225 188 D HA 0.051 4.691 4.640 -0.001 0.000 0.248 188 D C 0.638 176.884 176.300 -0.091 0.000 1.096 188 D CA -0.208 53.717 54.000 -0.124 0.000 0.863 188 D CB 0.701 41.496 40.800 -0.008 0.000 1.156 188 D HN 0.591 nan 8.370 nan 0.000 0.450 189 Y N 1.916 122.121 120.300 -0.158 0.000 2.228 189 Y HA -0.241 4.309 4.550 -0.000 0.000 0.285 189 Y C 2.201 178.196 175.900 0.158 0.000 1.178 189 Y CA 0.571 58.613 58.100 -0.097 0.000 1.202 189 Y CB 0.192 38.632 38.460 -0.033 0.000 0.974 189 Y HN 0.294 nan 8.280 nan 0.000 0.527 190 K N 0.083 120.645 120.400 0.270 0.000 2.418 190 K HA -0.053 4.267 4.320 -0.001 0.000 0.195 190 K C 0.056 176.778 176.600 0.203 0.000 1.035 190 K CA 0.285 56.706 56.287 0.224 0.000 1.003 190 K CB -0.492 32.099 32.500 0.153 0.000 0.793 190 K HN 0.214 nan 8.250 nan 0.000 0.494 191 D N 1.995 122.526 120.400 0.219 0.000 2.487 191 D HA -0.100 4.540 4.640 -0.001 0.000 0.243 191 D C 1.141 177.554 176.300 0.189 0.000 1.154 191 D CA 0.362 54.492 54.000 0.217 0.000 0.876 191 D CB 1.213 42.201 40.800 0.313 0.000 1.161 191 D HN -0.088 nan 8.370 nan 0.000 0.478 192 Q N 3.931 123.799 119.800 0.113 0.000 2.061 192 Q HA -0.210 4.129 4.340 -0.001 0.000 0.204 192 Q C 1.184 177.159 176.000 -0.042 0.000 0.984 192 Q CA 1.902 57.730 55.803 0.042 0.000 0.846 192 Q CB -0.258 28.494 28.738 0.022 0.000 0.902 192 Q HN 0.528 nan 8.270 nan 0.000 0.421 193 N N -0.578 118.085 118.700 -0.062 0.000 2.137 193 N HA -0.151 4.589 4.740 -0.001 0.000 0.190 193 N C 1.222 176.439 175.510 -0.489 0.000 1.017 193 N CA 1.399 54.289 53.050 -0.267 0.000 0.859 193 N CB -0.514 37.901 38.487 -0.120 0.000 1.002 193 N HN 0.358 nan 8.380 nan 0.000 0.428 194 F N 1.117 120.713 119.950 -0.589 0.000 2.113 194 F HA 0.020 4.547 4.527 -0.001 0.000 0.297 194 F C 1.843 177.514 175.800 -0.216 0.000 1.103 194 F CA 1.063 58.734 58.000 -0.547 0.000 1.248 194 F CB -0.393 38.462 39.000 -0.243 0.000 0.999 194 F HN -0.045 nan 8.300 nan 0.000 0.475 195 L N -0.420 120.725 121.223 -0.130 0.000 2.042 195 L HA -0.237 4.103 4.340 -0.001 0.000 0.210 195 L C 2.318 179.048 176.870 -0.234 0.000 1.076 195 L CA 1.867 56.618 54.840 -0.148 0.000 0.749 195 L CB -1.301 40.778 42.059 0.033 0.000 0.893 195 L HN 0.177 nan 8.230 nan 0.000 0.432 196 T N 0.170 114.578 114.554 -0.243 0.000 2.777 196 T HA -0.126 4.224 4.350 -0.001 0.000 0.266 196 T C 1.938 176.431 174.700 -0.345 0.000 1.040 196 T CA 0.694 62.639 62.100 -0.259 0.000 1.141 196 T CB -0.160 68.555 68.868 -0.255 0.000 0.868 196 T HN 0.120 nan 8.240 nan 0.000 0.444 197 L N 0.488 121.439 121.223 -0.454 0.000 2.079 197 L HA -0.033 4.306 4.340 -0.001 0.000 0.210 197 L C 2.098 178.765 176.870 -0.339 0.000 1.081 197 L CA 1.830 56.381 54.840 -0.482 0.000 0.752 197 L CB -0.835 40.917 42.059 -0.512 0.000 0.896 197 L HN 0.380 nan 8.230 nan 0.000 0.433 198 M N -0.988 118.396 119.600 -0.360 0.000 2.074 198 M HA -0.168 4.312 4.480 -0.001 0.000 0.258 198 M C 2.139 178.377 176.300 -0.104 0.000 1.083 198 M CA 1.291 56.458 55.300 -0.221 0.000 1.128 198 M CB -0.303 32.077 32.600 -0.367 0.000 1.301 198 M HN -0.005 nan 8.290 nan 0.000 0.417 199 K N 0.330 120.653 120.400 -0.128 0.000 2.097 199 K HA -0.252 4.068 4.320 -0.001 0.000 0.214 199 K C 1.864 178.414 176.600 -0.083 0.000 1.052 199 K CA 1.772 58.009 56.287 -0.083 0.000 0.932 199 K CB -0.659 31.778 32.500 -0.104 0.000 0.716 199 K HN 0.153 nan 8.250 nan 0.000 0.455 200 R N -0.191 120.207 120.500 -0.171 0.000 2.154 200 R HA -0.123 4.217 4.340 -0.001 0.000 0.236 200 R C 2.420 178.622 176.300 -0.163 0.000 1.121 200 R CA 2.200 58.154 56.100 -0.242 0.000 0.915 200 R CB -0.995 29.035 30.300 -0.451 0.000 0.856 200 R HN 0.254 nan 8.270 nan 0.000 0.431 201 F N 0.296 120.195 119.950 -0.086 0.000 2.171 201 F HA -0.205 4.321 4.527 -0.001 0.000 0.300 201 F C 2.493 178.322 175.800 0.049 0.000 1.090 201 F CA 1.465 59.451 58.000 -0.023 0.000 1.293 201 F CB -0.373 38.600 39.000 -0.045 0.000 1.013 201 F HN 0.305 nan 8.300 nan 0.000 0.486 202 N N 0.498 119.322 118.700 0.206 0.000 2.058 202 N HA -0.207 4.533 4.740 -0.001 0.000 0.191 202 N C 1.763 177.390 175.510 0.196 0.000 1.037 202 N CA 1.451 54.621 53.050 0.199 0.000 0.848 202 N CB -0.100 38.455 38.487 0.112 0.000 1.021 202 N HN 0.372 nan 8.380 nan 0.000 0.422 203 E N 0.389 120.643 120.200 0.091 0.000 2.049 203 E HA -0.210 4.140 4.350 -0.001 0.000 0.198 203 E C 1.677 178.304 176.600 0.045 0.000 1.007 203 E CA 1.391 57.816 56.400 0.042 0.000 0.809 203 E CB -0.135 29.561 29.700 -0.007 0.000 0.749 203 E HN 0.377 nan 8.360 nan 0.000 0.450 204 N N -0.012 118.730 118.700 0.070 0.000 2.166 204 N HA -0.150 4.590 4.740 -0.001 0.000 0.186 204 N C 1.455 177.015 175.510 0.083 0.000 1.019 204 N CA 0.764 53.855 53.050 0.068 0.000 0.856 204 N CB -0.273 38.273 38.487 0.099 0.000 0.993 204 N HN 0.155 nan 8.380 nan 0.000 0.426 205 F N 1.697 121.682 119.950 0.059 0.000 2.102 205 F HA -0.107 4.420 4.527 -0.001 0.000 0.298 205 F C 2.108 177.920 175.800 0.021 0.000 1.105 205 F CA 1.322 59.350 58.000 0.047 0.000 1.239 205 F CB 0.040 39.070 39.000 0.050 0.000 0.991 205 F HN -0.060 nan 8.300 nan 0.000 0.474 206 R N 0.352 120.717 120.500 -0.225 0.000 2.081 206 R HA -0.149 4.191 4.340 -0.001 0.000 0.235 206 R C 2.149 178.291 176.300 -0.264 0.000 1.131 206 R CA 1.567 57.484 56.100 -0.304 0.000 0.960 206 R CB -0.688 29.579 30.300 -0.055 0.000 0.856 206 R HN 0.328 nan 8.270 nan 0.000 0.436 207 I N 1.671 122.145 120.570 -0.161 0.000 2.076 207 I HA -0.263 3.907 4.170 -0.001 0.000 0.237 207 I C 2.380 178.394 176.117 -0.172 0.000 1.059 207 I CA 1.553 62.768 61.300 -0.143 0.000 1.317 207 I CB -1.188 36.752 38.000 -0.099 0.000 1.037 207 I HN 0.160 nan 8.210 nan 0.000 0.398 208 L N 0.578 121.704 121.223 -0.163 0.000 2.651 208 L HA -0.177 4.163 4.340 -0.001 0.000 0.236 208 L C 1.238 177.988 176.870 -0.199 0.000 1.173 208 L CA 0.775 55.529 54.840 -0.143 0.000 0.843 208 L CB -0.906 41.106 42.059 -0.078 0.000 0.964 208 L HN 0.332 nan 8.230 nan 0.000 0.454 209 N N -0.922 117.584 118.700 -0.324 0.000 2.238 209 N HA 0.000 4.740 4.740 -0.001 0.000 0.222 209 N C 0.172 175.558 175.510 -0.205 0.000 1.133 209 N CA -0.082 52.765 53.050 -0.338 0.000 0.854 209 N CB 0.502 38.570 38.487 -0.699 0.000 1.041 209 N HN 0.003 nan 8.380 nan 0.000 0.510 210 S N -0.055 115.558 115.700 -0.145 0.000 2.562 210 S HA 0.348 4.818 4.470 -0.001 0.000 0.275 210 S C -1.575 172.991 174.600 -0.057 0.000 1.281 210 S CA -1.563 56.594 58.200 -0.071 0.000 1.045 210 S CB 1.011 64.206 63.200 -0.009 0.000 0.962 210 S HN 0.050 nan 8.310 nan 0.000 0.503 211 P HA -0.060 nan 4.420 nan 0.000 0.218 211 P C 0.468 177.657 177.300 -0.186 0.000 1.146 211 P CA 1.123 64.120 63.100 -0.171 0.000 0.813 211 P CB -0.008 31.540 31.700 -0.252 0.000 0.778 212 W N -0.854 120.366 121.300 -0.134 0.000 2.421 212 W HA -0.127 4.533 4.660 -0.001 0.000 0.270 212 W C 1.888 178.316 176.519 -0.151 0.000 1.233 212 W CA 0.190 57.444 57.345 -0.150 0.000 1.226 212 W CB -0.555 28.736 29.460 -0.281 0.000 1.121 212 W HN -0.084 nan 8.180 nan 0.000 0.579 213 I N -0.147 120.454 120.570 0.051 0.000 2.252 213 I HA -0.261 3.908 4.170 -0.001 0.000 0.245 213 I C 2.335 178.455 176.117 0.005 0.000 1.102 213 I CA 1.389 62.691 61.300 0.004 0.000 1.385 213 I CB -1.531 36.450 38.000 -0.032 0.000 1.064 213 I HN 0.101 nan 8.210 nan 0.000 0.414 214 Q N 0.542 120.332 119.800 -0.017 0.000 2.124 214 Q HA -0.108 4.231 4.340 -0.001 0.000 0.202 214 Q C 2.515 178.468 176.000 -0.079 0.000 0.977 214 Q CA 1.207 57.005 55.803 -0.007 0.000 0.850 214 Q CB -0.501 28.228 28.738 -0.016 0.000 0.901 214 Q HN 0.384 nan 8.270 nan 0.000 0.429 215 V N 0.160 120.004 119.914 -0.117 0.000 2.221 215 V HA -0.287 3.833 4.120 -0.001 0.000 0.242 215 V C 2.549 178.598 176.094 -0.075 0.000 1.041 215 V CA 1.737 63.930 62.300 -0.178 0.000 0.995 215 V CB -1.014 30.796 31.823 -0.021 0.000 0.635 215 V HN 0.337 nan 8.190 nan 0.000 0.448 216 C N 0.500 119.874 119.300 0.123 0.000 2.398 216 C HA -0.176 4.283 4.460 -0.001 0.000 0.279 216 C C 2.711 177.754 174.990 0.089 0.000 1.250 216 C CA 1.140 60.257 59.018 0.165 0.000 1.786 216 C CB -1.684 26.158 27.740 0.170 0.000 2.018 216 C HN 0.619 nan 8.230 nan 0.000 0.494 217 N N 0.937 119.657 118.700 0.033 0.000 2.244 217 N HA -0.058 4.681 4.740 -0.001 0.000 0.183 217 N C 1.483 177.015 175.510 0.037 0.000 1.016 217 N CA 1.010 54.079 53.050 0.031 0.000 0.866 217 N CB -0.340 38.161 38.487 0.024 0.000 0.980 217 N HN 0.638 nan 8.380 nan 0.000 0.430 218 N N -0.428 118.252 118.700 -0.033 0.000 2.402 218 N HA 0.017 4.757 4.740 -0.001 0.000 0.174 218 N C -0.085 175.546 175.510 0.202 0.000 1.027 218 N CA 0.366 53.400 53.050 -0.026 0.000 0.891 218 N CB 0.236 38.587 38.487 -0.226 0.000 1.016 218 N HN 0.190 nan 8.380 nan 0.000 0.439 219 F N 1.213 121.225 119.950 0.104 0.000 2.434 219 F HA 0.325 4.852 4.527 -0.001 0.000 0.316 219 F C -1.560 174.298 175.800 0.096 0.000 1.222 219 F CA -2.238 55.819 58.000 0.095 0.000 1.207 219 F CB 1.441 40.501 39.000 0.100 0.000 1.466 219 F HN -0.153 nan 8.300 nan 0.000 0.545 220 P HA -0.273 nan 4.420 nan 0.000 0.218 220 P C 1.653 179.041 177.300 0.148 0.000 1.154 220 P CA 1.477 64.672 63.100 0.159 0.000 0.872 220 P CB 0.131 31.904 31.700 0.122 0.000 0.790 221 L N -2.235 119.073 121.223 0.142 0.000 2.081 221 L HA -0.191 4.149 4.340 -0.001 0.000 0.212 221 L C 2.163 179.099 176.870 0.110 0.000 1.080 221 L CA 1.718 56.619 54.840 0.101 0.000 0.754 221 L CB -1.945 40.156 42.059 0.069 0.000 0.893 221 L HN -0.029 nan 8.230 nan 0.000 0.433 222 L N -1.068 120.257 121.223 0.171 0.000 2.549 222 L HA -0.115 4.225 4.340 -0.001 0.000 0.229 222 L C 2.245 179.237 176.870 0.203 0.000 1.158 222 L CA 1.188 56.138 54.840 0.183 0.000 0.842 222 L CB -0.673 41.577 42.059 0.318 0.000 0.952 222 L HN 0.230 nan 8.230 nan 0.000 0.452 223 I N -0.949 119.736 120.570 0.191 0.000 2.353 223 I HA -0.235 3.935 4.170 -0.001 0.000 0.248 223 I C 1.853 178.076 176.117 0.176 0.000 1.119 223 I CA 0.874 62.297 61.300 0.207 0.000 1.417 223 I CB -0.314 37.747 38.000 0.101 0.000 1.078 223 I HN 0.246 nan 8.210 nan 0.000 0.421 224 D N 0.396 120.861 120.400 0.108 0.000 2.271 224 D HA -0.198 4.441 4.640 -0.001 0.000 0.207 224 D C 2.006 178.288 176.300 -0.031 0.000 0.983 224 D CA 1.187 55.225 54.000 0.063 0.000 0.878 224 D CB -0.212 40.607 40.800 0.033 0.000 0.920 224 D HN 0.390 nan 8.370 nan 0.000 0.479 225 C N -0.002 119.216 119.300 -0.137 0.000 2.511 225 C HA -0.040 4.420 4.460 -0.001 0.000 0.277 225 C C 0.670 175.222 174.990 -0.729 0.000 1.451 225 C CA -0.093 58.663 59.018 -0.437 0.000 1.735 225 C CB -1.396 25.980 27.740 -0.607 0.000 1.704 225 C HN 0.089 nan 8.230 nan 0.000 0.571 226 F N 0.202 120.116 119.950 -0.060 0.000 2.542 226 F HA 0.308 4.834 4.527 -0.001 0.000 0.323 226 F C -1.541 174.263 175.800 0.006 0.000 1.411 226 F CA -2.095 55.861 58.000 -0.074 0.000 1.124 226 F CB -0.137 38.792 39.000 -0.119 0.000 1.331 226 F HN 0.010 nan 8.300 nan 0.000 0.560 227 P HA -0.153 nan 4.420 nan 0.000 0.213 227 P C 1.989 179.328 177.300 0.064 0.000 1.170 227 P CA 1.888 65.024 63.100 0.060 0.000 0.902 227 P CB 0.223 31.919 31.700 -0.007 0.000 0.789 228 G N -1.097 107.733 108.800 0.050 0.000 2.511 228 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.216 228 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.216 228 G C 1.581 176.515 174.900 0.058 0.000 1.218 228 G CA 1.844 46.965 45.100 0.036 0.000 0.788 228 G HN 0.174 nan 8.290 nan 0.000 0.560 229 T N -0.408 114.194 114.554 0.080 0.000 2.737 229 T HA -0.185 4.165 4.350 -0.001 0.000 0.269 229 T C 1.933 176.692 174.700 0.098 0.000 1.040 229 T CA 1.718 63.847 62.100 0.049 0.000 1.142 229 T CB -0.415 68.444 68.868 -0.015 0.000 0.861 229 T HN 0.615 nan 8.240 nan 0.000 0.456 230 H N 0.965 120.051 119.070 0.025 0.000 2.319 230 H HA -0.107 4.448 4.556 -0.001 0.000 0.299 230 H C 2.252 177.583 175.328 0.006 0.000 1.092 230 H CA 1.360 57.420 56.048 0.021 0.000 1.302 230 H CB 0.114 29.903 29.762 0.045 0.000 1.373 230 H HN 0.194 nan 8.280 nan 0.000 0.497 231 N N 0.765 119.528 118.700 0.105 0.000 2.120 231 N HA -0.166 4.574 4.740 -0.001 0.000 0.188 231 N C 1.896 177.425 175.510 0.031 0.000 1.024 231 N CA 1.316 54.370 53.050 0.007 0.000 0.852 231 N CB -0.396 38.066 38.487 -0.041 0.000 1.003 231 N HN 0.422 nan 8.380 nan 0.000 0.424 232 K N 1.115 121.532 120.400 0.028 0.000 2.009 232 K HA -0.104 4.216 4.320 -0.001 0.000 0.210 232 K C 1.773 178.377 176.600 0.008 0.000 1.049 232 K CA 1.232 57.522 56.287 0.005 0.000 0.929 232 K CB -0.254 32.243 32.500 -0.005 0.000 0.714 232 K HN -0.097 nan 8.250 nan 0.000 0.440 233 V N 1.672 121.603 119.914 0.029 0.000 2.231 233 V HA -0.308 3.812 4.120 -0.001 0.000 0.248 233 V C 2.439 178.553 176.094 0.033 0.000 1.054 233 V CA 2.143 64.458 62.300 0.025 0.000 1.015 233 V CB -0.478 31.361 31.823 0.028 0.000 0.638 233 V HN 0.373 nan 8.190 nan 0.000 0.444 234 L N -0.388 120.881 121.223 0.076 0.000 2.083 234 L HA -0.222 4.118 4.340 -0.001 0.000 0.209 234 L C 2.627 179.508 176.870 0.018 0.000 1.083 234 L CA 1.952 56.831 54.840 0.066 0.000 0.752 234 L CB -0.528 41.594 42.059 0.105 0.000 0.899 234 L HN 0.375 nan 8.230 nan 0.000 0.433 235 K N 0.066 120.467 120.400 0.002 0.000 2.025 235 K HA -0.184 4.136 4.320 -0.001 0.000 0.207 235 K C 1.903 178.475 176.600 -0.047 0.000 1.049 235 K CA 1.482 57.755 56.287 -0.022 0.000 0.933 235 K CB 0.004 32.488 32.500 -0.028 0.000 0.714 235 K HN 0.281 nan 8.250 nan 0.000 0.438 236 N N 0.656 119.319 118.700 -0.061 0.000 2.166 236 N HA -0.140 4.600 4.740 -0.001 0.000 0.186 236 N C 1.843 177.273 175.510 -0.133 0.000 1.019 236 N CA 1.217 54.196 53.050 -0.117 0.000 0.856 236 N CB -0.249 38.164 38.487 -0.124 0.000 0.993 236 N HN 0.043 nan 8.380 nan 0.000 0.426 237 V N 1.477 121.350 119.914 -0.070 0.000 2.358 237 V HA -0.151 3.968 4.120 -0.001 0.000 0.246 237 V C 2.426 178.502 176.094 -0.030 0.000 1.047 237 V CA 1.665 63.939 62.300 -0.043 0.000 1.035 237 V CB -0.878 30.952 31.823 0.011 0.000 0.658 237 V HN 0.269 nan 8.190 nan 0.000 0.452 238 A N 0.126 122.934 122.820 -0.021 0.000 1.845 238 A HA -0.142 4.178 4.320 -0.001 0.000 0.215 238 A C 2.213 179.786 177.584 -0.017 0.000 1.195 238 A CA 1.803 53.835 52.037 -0.009 0.000 0.616 238 A CB -0.623 18.373 19.000 -0.006 0.000 0.832 238 A HN 0.465 nan 8.150 nan 0.000 0.443 239 L N -0.693 120.505 121.223 -0.041 0.000 2.013 239 L HA -0.217 4.122 4.340 -0.001 0.000 0.212 239 L C 2.839 179.687 176.870 -0.037 0.000 1.073 239 L CA 1.931 56.745 54.840 -0.044 0.000 0.753 239 L CB -1.245 40.767 42.059 -0.080 0.000 0.890 239 L HN 0.368 nan 8.230 nan 0.000 0.432 240 T N -0.505 113.989 114.554 -0.101 0.000 2.635 240 T HA -0.210 4.140 4.350 -0.001 0.000 0.267 240 T C 1.989 176.715 174.700 0.042 0.000 1.040 240 T CA 1.383 63.422 62.100 -0.101 0.000 1.156 240 T CB -0.236 68.463 68.868 -0.282 0.000 0.863 240 T HN 0.295 nan 8.240 nan 0.000 0.430 241 R N 0.994 121.515 120.500 0.035 0.000 2.117 241 R HA -0.096 4.244 4.340 -0.001 0.000 0.243 241 R C 2.851 179.193 176.300 0.069 0.000 1.143 241 R CA 1.616 57.756 56.100 0.066 0.000 0.968 241 R CB -0.644 29.684 30.300 0.048 0.000 0.863 241 R HN 0.329 nan 8.270 nan 0.000 0.444 242 S N 0.600 116.336 115.700 0.059 0.000 2.343 242 S HA -0.206 4.264 4.470 -0.001 0.000 0.219 242 S C 1.691 176.336 174.600 0.076 0.000 1.033 242 S CA 1.366 59.601 58.200 0.057 0.000 1.014 242 S CB -0.611 62.619 63.200 0.050 0.000 0.915 242 S HN 0.380 nan 8.310 nan 0.000 0.435 243 Y N 2.331 122.622 120.300 -0.015 0.000 2.139 243 Y HA -0.227 4.323 4.550 -0.001 0.000 0.282 243 Y C 1.937 177.841 175.900 0.007 0.000 1.179 243 Y CA 1.312 59.402 58.100 -0.018 0.000 1.161 243 Y CB -0.560 37.873 38.460 -0.044 0.000 0.970 243 Y HN 0.208 nan 8.280 nan 0.000 0.511 244 I N -0.351 120.255 120.570 0.060 0.000 2.142 244 I HA -0.345 3.825 4.170 -0.001 0.000 0.240 244 I C 2.644 178.743 176.117 -0.030 0.000 1.078 244 I CA 1.644 62.983 61.300 0.066 0.000 1.343 244 I CB -0.528 37.621 38.000 0.247 0.000 1.046 244 I HN 0.138 nan 8.210 nan 0.000 0.405 245 R N 0.735 121.238 120.500 0.006 0.000 2.091 245 R HA -0.205 4.135 4.340 -0.001 0.000 0.238 245 R C 2.217 178.496 176.300 -0.035 0.000 1.136 245 R CA 1.736 57.837 56.100 0.002 0.000 0.959 245 R CB -0.275 30.037 30.300 0.020 0.000 0.856 245 R HN 0.492 nan 8.270 nan 0.000 0.437 246 E N 0.168 120.320 120.200 -0.080 0.000 2.058 246 E HA -0.236 4.114 4.350 -0.001 0.000 0.194 246 E C 1.936 178.453 176.600 -0.138 0.000 0.997 246 E CA 1.206 57.549 56.400 -0.095 0.000 0.801 246 E CB -0.035 29.601 29.700 -0.108 0.000 0.746 246 E HN 0.085 nan 8.360 nan 0.000 0.450 247 K N 0.689 120.918 120.400 -0.284 0.000 2.211 247 K HA -0.067 4.252 4.320 -0.001 0.000 0.203 247 K C 1.873 178.472 176.600 -0.001 0.000 1.050 247 K CA 0.339 56.457 56.287 -0.281 0.000 0.945 247 K CB -0.015 32.053 32.500 -0.719 0.000 0.732 247 K HN -0.016 nan 8.250 nan 0.000 0.451 248 V N 0.509 120.419 119.914 -0.007 0.000 2.591 248 V HA -0.156 3.963 4.120 -0.001 0.000 0.249 248 V C 1.479 177.643 176.094 0.117 0.000 1.053 248 V CA 1.530 63.860 62.300 0.051 0.000 1.068 248 V CB -0.151 31.695 31.823 0.039 0.000 0.689 248 V HN 0.289 nan 8.190 nan 0.000 0.462 249 K N -0.154 120.289 120.400 0.071 0.000 2.097 249 K HA -0.159 4.160 4.320 -0.001 0.000 0.205 249 K C 1.964 178.612 176.600 0.080 0.000 1.050 249 K CA 1.761 58.088 56.287 0.067 0.000 0.938 249 K CB -0.161 32.359 32.500 0.034 0.000 0.718 249 K HN 0.607 nan 8.250 nan 0.000 0.442 250 E N 0.187 120.436 120.200 0.081 0.000 2.085 250 E HA -0.218 4.131 4.350 -0.001 0.000 0.194 250 E C 1.957 178.588 176.600 0.052 0.000 0.994 250 E CA 1.412 57.839 56.400 0.045 0.000 0.801 250 E CB -0.233 29.475 29.700 0.012 0.000 0.743 250 E HN 0.421 nan 8.360 nan 0.000 0.453 251 H N 0.862 119.949 119.070 0.029 0.000 2.353 251 H HA -0.086 4.469 4.556 -0.001 0.000 0.300 251 H C 2.214 177.574 175.328 0.054 0.000 1.090 251 H CA 1.583 57.665 56.048 0.058 0.000 1.327 251 H CB -0.102 29.720 29.762 0.101 0.000 1.383 251 H HN 0.182 nan 8.280 nan 0.000 0.508 252 Q N 0.187 120.093 119.800 0.176 0.000 2.002 252 Q HA -0.045 4.295 4.340 -0.001 0.000 0.204 252 Q C 1.400 177.441 176.000 0.069 0.000 0.988 252 Q CA 1.201 57.071 55.803 0.112 0.000 0.843 252 Q CB -0.108 28.686 28.738 0.092 0.000 0.908 252 Q HN 0.419 nan 8.270 nan 0.000 0.420 253 A N 0.990 123.841 122.820 0.052 0.000 3.004 253 A HA 0.176 4.496 4.320 -0.001 0.000 0.252 253 A C 0.378 177.970 177.584 0.013 0.000 1.802 253 A CA 0.657 52.711 52.037 0.028 0.000 1.424 253 A CB -0.682 18.331 19.000 0.021 0.000 1.005 253 A HN 0.400 nan 8.150 nan 0.000 0.631 254 S N -1.662 114.047 115.700 0.016 0.000 4.277 254 S HA -0.050 4.420 4.470 -0.001 0.000 0.078 254 S C -0.292 174.313 174.600 0.008 0.000 0.847 254 S CA -0.217 57.981 58.200 -0.002 0.000 1.129 254 S CB -1.858 61.322 63.200 -0.034 0.000 0.700 254 S HN 0.935 nan 8.310 nan 0.000 0.764 255 L N 3.708 124.951 121.223 0.033 0.000 2.534 255 L HA 0.570 4.910 4.340 -0.001 0.000 0.271 255 L C -0.271 176.617 176.870 0.029 0.000 1.178 255 L CA 0.945 55.812 54.840 0.046 0.000 0.907 255 L CB 0.598 42.695 42.059 0.064 0.000 1.164 255 L HN 0.324 nan 8.230 nan 0.000 0.482 256 D N 4.058 124.475 120.400 0.028 0.000 2.477 256 D HA 0.026 4.666 4.640 -0.001 0.000 0.239 256 D C 1.044 177.356 176.300 0.019 0.000 1.102 256 D CA -0.151 53.860 54.000 0.017 0.000 0.901 256 D CB 1.160 41.967 40.800 0.012 0.000 1.026 256 D HN 0.440 nan 8.370 nan 0.000 0.515 257 V N 4.727 124.650 119.914 0.015 0.000 2.428 257 V HA -0.267 3.853 4.120 -0.001 0.000 0.255 257 V C 1.519 177.614 176.094 0.003 0.000 1.080 257 V CA 1.927 64.233 62.300 0.010 0.000 1.083 257 V CB -0.329 31.495 31.823 0.002 0.000 0.665 257 V HN 0.512 nan 8.190 nan 0.000 0.461 258 N N 1.472 120.172 118.700 0.001 0.000 2.331 258 N HA -0.029 4.711 4.740 -0.001 0.000 0.180 258 N C 0.010 175.519 175.510 -0.001 0.000 1.019 258 N CA 1.180 54.227 53.050 -0.003 0.000 0.881 258 N CB -0.234 38.250 38.487 -0.005 0.000 0.972 258 N HN 0.909 nan 8.380 nan 0.000 0.435 259 N N -0.322 118.383 118.700 0.007 0.000 2.594 259 N HA 0.337 5.077 4.740 -0.001 0.000 0.280 259 N C -3.157 172.369 175.510 0.026 0.000 1.156 259 N CA -1.398 51.660 53.050 0.013 0.000 0.831 259 N CB 1.256 39.750 38.487 0.012 0.000 1.379 259 N HN -0.192 nan 8.380 nan 0.000 0.536 260 P HA 0.230 nan 4.420 nan 0.000 0.269 260 P C 0.398 177.737 177.300 0.065 0.000 1.209 260 P CA -0.386 62.746 63.100 0.052 0.000 0.776 260 P CB 1.286 33.011 31.700 0.041 0.000 0.876 261 R N 1.140 121.695 120.500 0.091 0.000 2.105 261 R HA 0.074 4.414 4.340 -0.001 0.000 0.214 261 R C 0.339 176.714 176.300 0.125 0.000 1.091 261 R CA 1.136 57.293 56.100 0.095 0.000 1.007 261 R CB -0.053 30.301 30.300 0.090 0.000 0.912 261 R HN 0.668 nan 8.270 nan 0.000 0.450 262 D N -2.586 117.919 120.400 0.175 0.000 3.158 262 D HA -0.008 4.631 4.640 -0.001 0.000 0.314 262 D C 0.241 176.668 176.300 0.211 0.000 1.308 262 D CA -0.759 53.359 54.000 0.196 0.000 1.001 262 D CB -0.326 40.634 40.800 0.267 0.000 1.389 262 D HN -0.167 nan 8.370 nan 0.000 0.595 263 F N 0.170 120.168 119.950 0.081 0.000 2.146 263 F HA 0.162 4.689 4.527 -0.000 0.000 0.298 263 F C 1.935 177.853 175.800 0.197 0.000 1.096 263 F CA 1.238 59.302 58.000 0.107 0.000 1.275 263 F CB -0.102 38.920 39.000 0.037 0.000 1.008 263 F HN 0.261 nan 8.300 nan 0.000 0.480 264 I N 0.016 120.764 120.570 0.298 0.000 2.226 264 I HA -0.309 3.860 4.170 -0.001 0.000 0.245 264 I C 2.007 178.245 176.117 0.202 0.000 1.100 264 I CA 1.424 62.836 61.300 0.186 0.000 1.374 264 I CB -0.607 37.333 38.000 -0.101 0.000 1.057 264 I HN 0.091 nan 8.210 nan 0.000 0.413 265 D N 0.710 121.245 120.400 0.225 0.000 2.092 265 D HA -0.178 4.462 4.640 -0.001 0.000 0.193 265 D C 2.297 178.677 176.300 0.135 0.000 0.994 265 D CA 1.424 55.539 54.000 0.192 0.000 0.828 265 D CB -0.472 40.433 40.800 0.175 0.000 0.963 265 D HN 0.363 nan 8.370 nan 0.000 0.450 266 C N 0.178 119.534 119.300 0.095 0.000 2.403 266 C HA -0.161 4.299 4.460 -0.001 0.000 0.277 266 C C 2.535 177.653 174.990 0.212 0.000 1.248 266 C CA 0.089 59.147 59.018 0.065 0.000 1.762 266 C CB -1.302 26.378 27.740 -0.099 0.000 2.014 266 C HN 0.259 nan 8.230 nan 0.000 0.486 267 F N 1.130 121.136 119.950 0.093 0.000 2.113 267 F HA -0.038 4.488 4.527 -0.001 0.000 0.297 267 F C 2.203 177.974 175.800 -0.047 0.000 1.103 267 F CA 1.433 59.407 58.000 -0.043 0.000 1.248 267 F CB -0.389 38.556 39.000 -0.092 0.000 0.999 267 F HN 0.081 nan 8.300 nan 0.000 0.475 268 L N -0.194 121.169 121.223 0.233 0.000 2.043 268 L HA -0.303 4.036 4.340 -0.001 0.000 0.212 268 L C 2.384 179.268 176.870 0.024 0.000 1.075 268 L CA 0.872 55.796 54.840 0.141 0.000 0.752 268 L CB -0.820 41.331 42.059 0.153 0.000 0.891 268 L HN 0.172 nan 8.230 nan 0.000 0.432 269 I N 0.056 120.633 120.570 0.012 0.000 2.179 269 I HA -0.274 3.896 4.170 -0.001 0.000 0.242 269 I C 2.594 178.640 176.117 -0.118 0.000 1.088 269 I CA 1.466 62.746 61.300 -0.033 0.000 1.357 269 I CB -1.044 36.946 38.000 -0.018 0.000 1.051 269 I HN 0.238 nan 8.210 nan 0.000 0.409 270 K N 1.216 121.494 120.400 -0.205 0.000 2.032 270 K HA -0.133 4.187 4.320 -0.001 0.000 0.209 270 K C 2.169 178.506 176.600 -0.439 0.000 1.048 270 K CA 1.588 57.622 56.287 -0.422 0.000 0.927 270 K CB -0.378 31.669 32.500 -0.756 0.000 0.712 270 K HN 0.162 nan 8.250 nan 0.000 0.441 271 M N 0.214 119.595 119.600 -0.365 0.000 2.082 271 M HA -0.216 4.264 4.480 -0.001 0.000 0.258 271 M C 2.069 178.308 176.300 -0.101 0.000 1.069 271 M CA 2.003 57.197 55.300 -0.177 0.000 1.102 271 M CB -0.405 32.171 32.600 -0.039 0.000 1.336 271 M HN 0.172 nan 8.290 nan 0.000 0.404 272 E N 0.811 120.961 120.200 -0.082 0.000 2.065 272 E HA -0.261 4.088 4.350 -0.001 0.000 0.201 272 E C 1.756 178.319 176.600 -0.062 0.000 1.016 272 E CA 2.120 58.490 56.400 -0.050 0.000 0.818 272 E CB -0.267 29.409 29.700 -0.040 0.000 0.749 272 E HN 0.541 nan 8.360 nan 0.000 0.453 273 Q N -0.309 119.432 119.800 -0.097 0.000 2.061 273 Q HA -0.171 4.169 4.340 -0.001 0.000 0.204 273 Q C 1.863 177.817 176.000 -0.076 0.000 0.984 273 Q CA 1.606 57.353 55.803 -0.093 0.000 0.846 273 Q CB -0.187 28.473 28.738 -0.130 0.000 0.902 273 Q HN 0.305 nan 8.270 nan 0.000 0.421 274 E N 0.814 120.960 120.200 -0.090 0.000 2.516 274 E HA -0.099 4.251 4.350 -0.001 0.000 0.199 274 E C 1.277 177.869 176.600 -0.013 0.000 1.069 274 E CA 0.233 56.608 56.400 -0.041 0.000 0.876 274 E CB -0.105 29.588 29.700 -0.012 0.000 0.843 274 E HN 0.312 nan 8.360 nan 0.000 0.530 275 K N 1.063 121.452 120.400 -0.020 0.000 2.169 275 K HA -0.264 4.056 4.320 -0.001 0.000 0.213 275 K C 1.179 177.781 176.600 0.004 0.000 1.050 275 K CA 2.189 58.473 56.287 -0.004 0.000 0.935 275 K CB 0.131 32.627 32.500 -0.008 0.000 0.722 275 K HN 0.117 nan 8.250 nan 0.000 0.468 276 D N -0.237 120.163 120.400 0.000 0.000 2.149 276 D HA -0.117 4.522 4.640 -0.001 0.000 0.206 276 D C 0.569 176.875 176.300 0.010 0.000 0.967 276 D CA 0.388 54.390 54.000 0.004 0.000 0.848 276 D CB -0.672 40.128 40.800 0.001 0.000 0.998 276 D HN 0.178 nan 8.370 nan 0.000 0.474 277 N N 2.035 120.742 118.700 0.011 0.000 2.411 277 N HA -0.122 4.617 4.740 -0.001 0.000 0.282 277 N C 0.708 176.232 175.510 0.023 0.000 1.322 277 N CA 0.187 53.248 53.050 0.018 0.000 0.943 277 N CB 0.784 39.286 38.487 0.025 0.000 1.266 277 N HN -0.173 nan 8.380 nan 0.000 0.486 278 Q N 2.513 122.325 119.800 0.020 0.000 2.482 278 Q HA 0.059 4.399 4.340 -0.001 0.000 0.209 278 Q C 0.043 176.056 176.000 0.022 0.000 0.961 278 Q CA 1.229 57.045 55.803 0.021 0.000 0.945 278 Q CB 0.266 29.015 28.738 0.018 0.000 1.012 278 Q HN 0.383 nan 8.270 nan 0.000 0.515 279 K N -0.861 119.553 120.400 0.023 0.000 2.414 279 K HA 0.231 4.551 4.320 -0.001 0.000 0.204 279 K C -0.158 176.456 176.600 0.023 0.000 1.026 279 K CA -0.062 56.238 56.287 0.021 0.000 1.108 279 K CB 0.551 33.063 32.500 0.019 0.000 0.855 279 K HN -0.016 nan 8.250 nan 0.000 0.517 280 S N 1.637 117.358 115.700 0.036 0.000 2.564 280 S HA 0.036 4.506 4.470 -0.001 0.000 0.278 280 S C 1.163 175.769 174.600 0.010 0.000 1.333 280 S CA -0.187 58.048 58.200 0.057 0.000 1.048 280 S CB 0.726 63.988 63.200 0.103 0.000 0.900 280 S HN 0.108 nan 8.310 nan 0.000 0.505 281 E N 3.382 123.529 120.200 -0.088 0.000 2.150 281 E HA -0.071 4.278 4.350 -0.001 0.000 0.193 281 E C -0.064 176.347 176.600 -0.315 0.000 0.985 281 E CA 0.752 56.999 56.400 -0.256 0.000 0.814 281 E CB -0.182 29.249 29.700 -0.448 0.000 0.752 281 E HN 0.721 nan 8.360 nan 0.000 0.466 282 F N 3.146 123.030 119.950 -0.109 0.000 2.613 282 F HA 0.051 4.578 4.527 -0.001 0.000 0.341 282 F C 0.608 176.391 175.800 -0.028 0.000 1.288 282 F CA -0.335 57.529 58.000 -0.227 0.000 1.103 282 F CB -0.693 37.946 39.000 -0.603 0.000 1.423 282 F HN -0.038 nan 8.300 nan 0.000 0.651 283 N N 0.355 119.204 118.700 0.247 0.000 2.405 283 N HA 0.395 5.135 4.740 -0.001 0.000 0.285 283 N C 0.355 176.016 175.510 0.251 0.000 1.262 283 N CA -0.900 52.270 53.050 0.201 0.000 0.773 283 N CB 0.952 39.502 38.487 0.105 0.000 1.490 283 N HN 0.022 nan 8.380 nan 0.000 0.486 284 I N -0.389 120.280 120.570 0.165 0.000 2.800 284 I HA -0.129 4.040 4.170 -0.001 0.000 0.266 284 I C 1.417 177.571 176.117 0.061 0.000 1.249 284 I CA 1.165 62.534 61.300 0.116 0.000 1.458 284 I CB -0.999 37.053 38.000 0.085 0.000 1.093 284 I HN 0.659 nan 8.210 nan 0.000 0.466 285 E N 0.911 121.149 120.200 0.064 0.000 2.076 285 E HA -0.078 4.272 4.350 -0.001 0.000 0.190 285 E C 1.798 178.406 176.600 0.013 0.000 0.979 285 E CA 0.645 57.068 56.400 0.037 0.000 0.807 285 E CB -0.151 29.573 29.700 0.039 0.000 0.761 285 E HN 0.437 nan 8.360 nan 0.000 0.454 286 N N 0.791 119.504 118.700 0.022 0.000 2.396 286 N HA -0.102 4.638 4.740 -0.001 0.000 0.180 286 N C 1.777 177.178 175.510 -0.182 0.000 1.028 286 N CA 0.211 53.253 53.050 -0.013 0.000 0.893 286 N CB -0.007 38.504 38.487 0.040 0.000 0.967 286 N HN 0.104 nan 8.380 nan 0.000 0.440 287 L N 0.851 121.863 121.223 -0.352 0.000 2.027 287 L HA -0.028 4.312 4.340 -0.001 0.000 0.206 287 L C 1.914 178.638 176.870 -0.243 0.000 1.074 287 L CA 1.333 55.741 54.840 -0.719 0.000 0.745 287 L CB -0.652 41.028 42.059 -0.633 0.000 0.898 287 L HN -0.143 nan 8.230 nan 0.000 0.433 288 V N 0.144 120.006 119.914 -0.087 0.000 2.626 288 V HA -0.135 3.984 4.120 -0.001 0.000 0.252 288 V C 2.509 178.626 176.094 0.040 0.000 1.067 288 V CA 1.473 63.783 62.300 0.017 0.000 1.081 288 V CB -1.637 30.211 31.823 0.041 0.000 0.686 288 V HN 0.614 nan 8.190 nan 0.000 0.468 289 G N -0.093 108.709 108.800 0.004 0.000 2.424 289 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.214 289 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.214 289 G C 1.672 176.594 174.900 0.037 0.000 1.202 289 G CA 1.245 46.366 45.100 0.036 0.000 0.793 289 G HN 0.418 nan 8.290 nan 0.000 0.534 290 T N 1.012 115.562 114.554 -0.007 0.000 2.803 290 T HA -0.118 4.231 4.350 -0.001 0.000 0.269 290 T C 2.495 177.157 174.700 -0.063 0.000 1.052 290 T CA 1.206 63.310 62.100 0.007 0.000 1.136 290 T CB -0.201 68.712 68.868 0.076 0.000 0.864 290 T HN 0.037 nan 8.240 nan 0.000 0.467 291 V N 1.531 121.420 119.914 -0.042 0.000 2.244 291 V HA -0.161 3.959 4.120 -0.001 0.000 0.244 291 V C 2.882 179.052 176.094 0.127 0.000 1.042 291 V CA 1.728 64.003 62.300 -0.042 0.000 1.006 291 V CB -1.275 30.608 31.823 0.100 0.000 0.641 291 V HN 0.524 nan 8.190 nan 0.000 0.446 292 A N 0.037 123.000 122.820 0.238 0.000 1.892 292 A HA -0.331 3.988 4.320 -0.001 0.000 0.218 292 A C 1.962 179.686 177.584 0.234 0.000 1.188 292 A CA 2.431 54.691 52.037 0.372 0.000 0.631 292 A CB -0.883 18.293 19.000 0.293 0.000 0.822 292 A HN 0.562 nan 8.150 nan 0.000 0.447 293 D N -0.100 120.366 120.400 0.110 0.000 2.133 293 D HA -0.148 4.492 4.640 -0.001 0.000 0.195 293 D C 1.898 178.172 176.300 -0.044 0.000 0.997 293 D CA 1.087 55.115 54.000 0.046 0.000 0.840 293 D CB -0.403 40.422 40.800 0.041 0.000 0.947 293 D HN 0.460 nan 8.370 nan 0.000 0.452 294 L N -0.510 120.631 121.223 -0.137 0.000 2.043 294 L HA -0.212 4.127 4.340 -0.001 0.000 0.212 294 L C 2.343 179.005 176.870 -0.346 0.000 1.075 294 L CA 1.016 55.679 54.840 -0.295 0.000 0.752 294 L CB -0.410 41.341 42.059 -0.513 0.000 0.891 294 L HN 0.033 nan 8.230 nan 0.000 0.432 295 F N -0.919 118.830 119.950 -0.335 0.000 2.060 295 F HA -0.215 4.311 4.527 -0.001 0.000 0.295 295 F C 2.455 177.917 175.800 -0.563 0.000 1.120 295 F CA 1.383 59.055 58.000 -0.546 0.000 1.205 295 F CB -0.829 37.529 39.000 -1.070 0.000 0.986 295 F HN -0.261 nan 8.300 nan 0.000 0.470 296 V N 0.198 119.916 119.914 -0.328 0.000 2.250 296 V HA -0.390 3.730 4.120 -0.001 0.000 0.250 296 V C 2.487 178.535 176.094 -0.078 0.000 1.060 296 V CA 2.135 64.335 62.300 -0.166 0.000 1.030 296 V CB -1.361 30.469 31.823 0.011 0.000 0.643 296 V HN 0.408 nan 8.190 nan 0.000 0.445 297 A N -0.567 122.214 122.820 -0.064 0.000 2.014 297 A HA 0.131 4.451 4.320 -0.001 0.000 0.218 297 A C 2.067 179.624 177.584 -0.045 0.000 1.163 297 A CA 1.551 53.571 52.037 -0.029 0.000 0.652 297 A CB -0.444 18.550 19.000 -0.009 0.000 0.808 297 A HN 0.612 nan 8.150 nan 0.000 0.449 298 G N -2.618 106.124 108.800 -0.097 0.000 3.441 298 G HA2 0.312 4.271 3.960 -0.001 0.000 0.263 298 G HA3 0.312 4.271 3.960 -0.001 0.000 0.263 298 G C 0.900 175.753 174.900 -0.080 0.000 1.014 298 G CA 0.910 45.964 45.100 -0.078 0.000 0.833 298 G HN 0.305 nan 8.290 nan 0.000 0.514 299 T N 0.288 114.776 114.554 -0.111 0.000 2.990 299 T HA 0.045 4.395 4.350 -0.001 0.000 0.237 299 T C 2.023 176.642 174.700 -0.135 0.000 1.009 299 T CA 0.912 62.955 62.100 -0.095 0.000 1.195 299 T CB 0.124 68.935 68.868 -0.095 0.000 0.885 299 T HN 0.152 nan 8.240 nan 0.000 0.424 300 E N 1.221 121.286 120.200 -0.223 0.000 2.077 300 E HA -0.120 4.230 4.350 -0.001 0.000 0.193 300 E C 2.418 178.858 176.600 -0.266 0.000 0.989 300 E CA 1.833 58.005 56.400 -0.380 0.000 0.800 300 E CB -0.498 28.720 29.700 -0.803 0.000 0.746 300 E HN 0.643 nan 8.360 nan 0.000 0.452 301 T N -2.548 111.910 114.554 -0.160 0.000 2.652 301 T HA -0.184 4.165 4.350 -0.001 0.000 0.267 301 T C 2.060 176.736 174.700 -0.040 0.000 1.039 301 T CA 1.946 64.000 62.100 -0.077 0.000 1.153 301 T CB -1.049 67.802 68.868 -0.030 0.000 0.863 301 T HN 0.041 nan 8.240 nan 0.000 0.428 302 T N 1.732 116.276 114.554 -0.018 0.000 2.674 302 T HA -0.110 4.239 4.350 -0.001 0.000 0.265 302 T C 2.340 177.045 174.700 0.008 0.000 1.039 302 T CA 1.606 63.725 62.100 0.031 0.000 1.150 302 T CB -0.801 68.108 68.868 0.068 0.000 0.864 302 T HN 0.528 nan 8.240 nan 0.000 0.427 303 S N 0.459 116.130 115.700 -0.047 0.000 2.365 303 S HA -0.199 4.271 4.470 -0.001 0.000 0.225 303 S C 2.165 176.735 174.600 -0.049 0.000 1.039 303 S CA 2.176 60.330 58.200 -0.078 0.000 1.033 303 S CB -0.863 62.261 63.200 -0.127 0.000 0.887 303 S HN 0.596 nan 8.310 nan 0.000 0.447 304 T N 1.279 115.801 114.554 -0.053 0.000 2.643 304 T HA -0.097 4.252 4.350 -0.001 0.000 0.264 304 T C 1.995 176.756 174.700 0.102 0.000 1.045 304 T CA 1.989 64.090 62.100 0.001 0.000 1.155 304 T CB -1.234 67.631 68.868 -0.005 0.000 0.863 304 T HN 0.506 nan 8.240 nan 0.000 0.420 305 T N 2.562 117.175 114.554 0.099 0.000 2.699 305 T HA -0.039 4.311 4.350 -0.001 0.000 0.268 305 T C 1.962 176.753 174.700 0.152 0.000 1.036 305 T CA 0.874 63.056 62.100 0.136 0.000 1.147 305 T CB -0.539 68.369 68.868 0.066 0.000 0.862 305 T HN 0.179 nan 8.240 nan 0.000 0.446 306 L N 0.336 121.623 121.223 0.106 0.000 1.970 306 L HA -0.145 4.195 4.340 -0.001 0.000 0.212 306 L C 2.937 179.885 176.870 0.131 0.000 1.071 306 L CA 1.706 56.606 54.840 0.099 0.000 0.751 306 L CB -0.458 41.615 42.059 0.024 0.000 0.889 306 L HN 0.190 nan 8.230 nan 0.000 0.432 307 R N -1.122 119.444 120.500 0.110 0.000 2.105 307 R HA -0.250 4.090 4.340 -0.001 0.000 0.239 307 R C 2.314 178.778 176.300 0.274 0.000 1.135 307 R CA 1.761 57.954 56.100 0.154 0.000 0.967 307 R CB -0.400 29.921 30.300 0.035 0.000 0.861 307 R HN 0.376 nan 8.270 nan 0.000 0.442 308 Y N -0.471 119.905 120.300 0.126 0.000 2.220 308 Y HA -0.102 4.448 4.550 -0.001 0.000 0.291 308 Y C 2.255 178.182 175.900 0.046 0.000 1.129 308 Y CA 0.806 58.974 58.100 0.113 0.000 1.161 308 Y CB -0.125 38.391 38.460 0.093 0.000 0.997 308 Y HN 0.266 nan 8.280 nan 0.000 0.522 309 G N 0.225 109.174 108.800 0.248 0.000 2.421 309 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.216 309 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.216 309 G C 1.565 176.501 174.900 0.060 0.000 1.171 309 G CA 1.033 46.200 45.100 0.113 0.000 0.775 309 G HN 0.363 nan 8.290 nan 0.000 0.543 310 L N -0.355 120.931 121.223 0.106 0.000 2.046 310 L HA -0.037 4.302 4.340 -0.001 0.000 0.208 310 L C 2.720 179.532 176.870 -0.097 0.000 1.077 310 L CA 0.577 55.453 54.840 0.061 0.000 0.747 310 L CB -0.399 41.760 42.059 0.166 0.000 0.896 310 L HN 0.247 nan 8.230 nan 0.000 0.432 311 L N -0.039 121.086 121.223 -0.164 0.000 2.042 311 L HA -0.234 4.106 4.340 -0.001 0.000 0.210 311 L C 2.280 178.990 176.870 -0.266 0.000 1.076 311 L CA 1.814 56.364 54.840 -0.484 0.000 0.749 311 L CB -0.387 41.417 42.059 -0.426 0.000 0.893 311 L HN 0.120 nan 8.230 nan 0.000 0.432 312 L N -1.469 119.634 121.223 -0.200 0.000 2.156 312 L HA -0.171 4.168 4.340 -0.001 0.000 0.208 312 L C 2.361 179.062 176.870 -0.281 0.000 1.095 312 L CA 0.849 55.446 54.840 -0.405 0.000 0.770 312 L CB -0.382 41.105 42.059 -0.952 0.000 0.914 312 L HN 0.290 nan 8.230 nan 0.000 0.439 313 L N -0.913 120.215 121.223 -0.157 0.000 2.217 313 L HA -0.164 4.175 4.340 -0.001 0.000 0.211 313 L C 2.359 179.215 176.870 -0.024 0.000 1.107 313 L CA 0.668 55.496 54.840 -0.020 0.000 0.783 313 L CB -0.215 41.861 42.059 0.028 0.000 0.919 313 L HN 0.293 nan 8.230 nan 0.000 0.442 314 L N 0.063 121.222 121.223 -0.107 0.000 2.068 314 L HA -0.176 4.163 4.340 -0.001 0.000 0.204 314 L C 2.559 179.351 176.870 -0.130 0.000 1.076 314 L CA 1.270 56.027 54.840 -0.138 0.000 0.753 314 L CB -0.049 41.863 42.059 -0.246 0.000 0.910 314 L HN 0.186 nan 8.230 nan 0.000 0.439 315 K N -0.635 119.673 120.400 -0.154 0.000 2.283 315 K HA -0.082 4.237 4.320 -0.001 0.000 0.202 315 K C 0.238 176.622 176.600 -0.359 0.000 1.048 315 K CA 1.036 57.183 56.287 -0.232 0.000 0.948 315 K CB -0.008 32.357 32.500 -0.224 0.000 0.742 315 K HN 0.385 nan 8.250 nan 0.000 0.458 316 H N -0.382 118.640 119.070 -0.080 0.000 2.645 316 H HA 0.183 4.738 4.556 -0.001 0.000 0.257 316 H C -2.243 173.107 175.328 0.036 0.000 1.269 316 H CA -1.896 54.157 56.048 0.009 0.000 1.409 316 H CB 1.733 31.550 29.762 0.091 0.000 1.434 316 H HN 0.052 nan 8.280 nan 0.000 0.505 317 P HA -0.182 nan 4.420 nan 0.000 0.216 317 P C 1.819 179.171 177.300 0.087 0.000 1.153 317 P CA 1.002 64.138 63.100 0.059 0.000 0.848 317 P CB 0.423 32.132 31.700 0.014 0.000 0.787 318 E N 0.126 120.383 120.200 0.094 0.000 2.333 318 E HA -0.102 4.248 4.350 -0.001 0.000 0.198 318 E C 1.621 178.295 176.600 0.124 0.000 1.007 318 E CA 1.178 57.630 56.400 0.086 0.000 0.845 318 E CB -1.203 28.543 29.700 0.076 0.000 0.766 318 E HN 0.105 nan 8.360 nan 0.000 0.507 319 V N 1.402 121.438 119.914 0.203 0.000 2.331 319 V HA -0.162 3.958 4.120 -0.001 0.000 0.242 319 V C 2.409 178.671 176.094 0.280 0.000 1.034 319 V CA 1.921 64.403 62.300 0.304 0.000 1.027 319 V CB -0.783 31.256 31.823 0.361 0.000 0.667 319 V HN 0.294 nan 8.190 nan 0.000 0.457 320 T N 0.973 115.650 114.554 0.205 0.000 2.635 320 T HA -0.273 4.076 4.350 -0.001 0.000 0.267 320 T C 2.088 176.865 174.700 0.129 0.000 1.040 320 T CA 1.931 64.127 62.100 0.161 0.000 1.156 320 T CB -0.637 68.299 68.868 0.112 0.000 0.863 320 T HN 0.551 nan 8.240 nan 0.000 0.430 321 A N 2.085 124.959 122.820 0.090 0.000 1.896 321 A HA -0.306 4.014 4.320 -0.001 0.000 0.220 321 A C 2.236 179.837 177.584 0.028 0.000 1.206 321 A CA 2.327 54.394 52.037 0.050 0.000 0.647 321 A CB -0.650 18.367 19.000 0.028 0.000 0.828 321 A HN 0.580 nan 8.150 nan 0.000 0.455 322 K N -0.766 119.632 120.400 -0.004 0.000 2.097 322 K HA -0.045 4.275 4.320 -0.001 0.000 0.206 322 K C 1.871 178.481 176.600 0.016 0.000 1.049 322 K CA 1.336 57.541 56.287 -0.136 0.000 0.933 322 K CB -0.400 31.747 32.500 -0.589 0.000 0.717 322 K HN 0.346 nan 8.250 nan 0.000 0.442 323 V N 1.838 121.869 119.914 0.196 0.000 2.358 323 V HA -0.252 3.868 4.120 -0.001 0.000 0.246 323 V C 2.186 178.354 176.094 0.123 0.000 1.047 323 V CA 1.704 64.144 62.300 0.233 0.000 1.035 323 V CB -0.485 31.474 31.823 0.226 0.000 0.658 323 V HN 0.336 nan 8.190 nan 0.000 0.452 324 Q N -0.549 119.306 119.800 0.091 0.000 2.226 324 Q HA -0.212 4.128 4.340 -0.001 0.000 0.204 324 Q C 2.377 178.407 176.000 0.050 0.000 0.975 324 Q CA 1.402 57.241 55.803 0.060 0.000 0.866 324 Q CB -0.146 28.625 28.738 0.054 0.000 0.915 324 Q HN 0.659 nan 8.270 nan 0.000 0.440 325 E N 1.159 121.388 120.200 0.049 0.000 2.107 325 E HA -0.199 4.151 4.350 -0.001 0.000 0.191 325 E C 1.394 178.051 176.600 0.096 0.000 0.982 325 E CA 0.894 57.322 56.400 0.047 0.000 0.809 325 E CB 0.226 29.932 29.700 0.010 0.000 0.756 325 E HN 0.421 nan 8.360 nan 0.000 0.459 326 E N 0.496 120.760 120.200 0.107 0.000 2.046 326 E HA -0.119 4.230 4.350 -0.001 0.000 0.190 326 E C 2.384 179.038 176.600 0.089 0.000 0.982 326 E CA 0.845 57.327 56.400 0.136 0.000 0.800 326 E CB -0.087 29.705 29.700 0.153 0.000 0.756 326 E HN 0.328 nan 8.360 nan 0.000 0.449 327 I N 1.602 122.212 120.570 0.067 0.000 2.151 327 I HA -0.303 3.866 4.170 -0.001 0.000 0.243 327 I C 2.364 178.487 176.117 0.010 0.000 1.080 327 I CA 1.343 62.661 61.300 0.028 0.000 1.339 327 I CB -0.290 37.715 38.000 0.009 0.000 1.039 327 I HN 0.086 nan 8.210 nan 0.000 0.409 328 D N 0.062 120.476 120.400 0.023 0.000 2.097 328 D HA -0.266 4.374 4.640 -0.001 0.000 0.195 328 D C 2.158 178.490 176.300 0.054 0.000 0.989 328 D CA 1.505 55.504 54.000 -0.001 0.000 0.827 328 D CB -0.116 40.692 40.800 0.014 0.000 0.966 328 D HN 0.370 nan 8.370 nan 0.000 0.456 329 H N -0.669 118.401 119.070 -0.001 0.000 2.423 329 H HA 0.050 4.606 4.556 -0.001 0.000 0.297 329 H C 1.543 176.890 175.328 0.032 0.000 1.075 329 H CA 1.504 57.563 56.048 0.017 0.000 1.342 329 H CB 0.011 29.786 29.762 0.021 0.000 1.395 329 H HN 0.083 nan 8.280 nan 0.000 0.530 330 V N -0.415 119.413 119.914 -0.142 0.000 3.523 330 V HA 0.121 4.241 4.120 -0.001 0.000 0.255 330 V C 1.860 177.937 176.094 -0.028 0.000 1.226 330 V CA 0.878 63.073 62.300 -0.174 0.000 1.092 330 V CB 0.430 32.173 31.823 -0.132 0.000 0.817 330 V HN 0.339 nan 8.190 nan 0.000 0.458 331 I N -0.932 119.631 120.570 -0.012 0.000 4.197 331 I HA 0.546 4.716 4.170 -0.001 0.000 0.307 331 I C 1.339 177.414 176.117 -0.070 0.000 1.236 331 I CA 0.782 62.080 61.300 -0.003 0.000 1.321 331 I CB 0.409 38.414 38.000 0.008 0.000 1.309 331 I HN 0.380 nan 8.210 nan 0.000 0.450 332 G N 2.001 110.707 108.800 -0.156 0.000 2.750 332 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.228 332 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.228 332 G C -0.040 174.617 174.900 -0.404 0.000 1.367 332 G CA 0.015 44.841 45.100 -0.456 0.000 0.871 332 G HN 0.291 nan 8.290 nan 0.000 0.560 333 R N -0.453 119.711 120.500 -0.560 0.000 2.334 333 R HA 0.308 4.648 4.340 -0.001 0.000 0.216 333 R C 1.825 178.088 176.300 -0.062 0.000 0.905 333 R CA 1.150 57.131 56.100 -0.199 0.000 1.064 333 R CB -0.344 29.898 30.300 -0.097 0.000 1.046 333 R HN 0.792 nan 8.270 nan 0.000 0.508 334 H N 0.404 119.482 119.070 0.014 0.000 2.423 334 H HA 0.010 4.566 4.556 -0.001 0.000 0.297 334 H C 0.512 175.848 175.328 0.013 0.000 1.075 334 H CA 0.934 56.990 56.048 0.013 0.000 1.342 334 H CB 0.052 29.823 29.762 0.016 0.000 1.395 334 H HN 0.110 nan 8.280 nan 0.000 0.530 335 R N -0.803 119.749 120.500 0.088 0.000 2.756 335 R HA 0.390 4.730 4.340 -0.001 0.000 0.273 335 R C -1.430 174.891 176.300 0.034 0.000 1.030 335 R CA -0.831 55.305 56.100 0.059 0.000 0.887 335 R CB 0.934 31.273 30.300 0.065 0.000 1.274 335 R HN -0.158 nan 8.270 nan 0.000 0.461 336 S N 2.081 117.802 115.700 0.035 0.000 2.565 336 S HA 0.373 4.843 4.470 -0.001 0.000 0.276 336 S C -2.131 172.492 174.600 0.038 0.000 1.326 336 S CA -0.921 57.300 58.200 0.035 0.000 1.045 336 S CB 0.770 63.992 63.200 0.037 0.000 0.918 336 S HN 0.489 nan 8.310 nan 0.000 0.505 337 P HA 0.262 nan 4.420 nan 0.000 0.272 337 P C -0.459 176.899 177.300 0.097 0.000 1.223 337 P CA -0.420 62.719 63.100 0.066 0.000 0.784 337 P CB 0.279 31.988 31.700 0.015 0.000 0.923 338 C N 1.754 121.140 119.300 0.143 0.000 3.080 338 C HA 0.457 4.917 4.460 -0.001 0.000 0.307 338 C C 1.915 176.974 174.990 0.116 0.000 1.311 338 C CA -0.925 58.153 59.018 0.100 0.000 1.533 338 C CB 0.750 28.515 27.740 0.043 0.000 1.970 338 C HN 0.438 nan 8.230 nan 0.000 0.467 339 M N 1.069 120.668 119.600 -0.000 0.000 2.195 339 M HA -0.156 4.324 4.480 -0.001 0.000 0.260 339 M C 2.170 178.310 176.300 -0.267 0.000 1.066 339 M CA 1.654 56.840 55.300 -0.190 0.000 1.089 339 M CB -1.361 31.128 32.600 -0.185 0.000 1.377 339 M HN 0.921 nan 8.290 nan 0.000 0.411 340 Q N 0.187 119.903 119.800 -0.140 0.000 2.234 340 Q HA -0.185 4.154 4.340 -0.001 0.000 0.206 340 Q C 1.207 177.092 176.000 -0.192 0.000 0.980 340 Q CA 1.197 56.910 55.803 -0.151 0.000 0.869 340 Q CB -0.010 28.694 28.738 -0.057 0.000 0.912 340 Q HN 0.539 nan 8.270 nan 0.000 0.436 341 D N -0.118 120.236 120.400 -0.077 0.000 2.178 341 D HA -0.163 4.477 4.640 -0.001 0.000 0.202 341 D C 1.743 177.982 176.300 -0.102 0.000 0.974 341 D CA 0.494 54.501 54.000 0.011 0.000 0.841 341 D CB -0.245 40.659 40.800 0.174 0.000 0.953 341 D HN 0.200 nan 8.370 nan 0.000 0.478 342 R N 1.355 121.657 120.500 -0.330 0.000 2.170 342 R HA -0.144 4.195 4.340 -0.001 0.000 0.242 342 R C 1.987 178.077 176.300 -0.350 0.000 1.145 342 R CA 1.499 57.302 56.100 -0.495 0.000 0.984 342 R CB -0.098 29.526 30.300 -1.127 0.000 0.869 342 R HN 0.198 nan 8.270 nan 0.000 0.455 343 S N -1.541 113.898 115.700 -0.436 0.000 2.481 343 S HA -0.089 4.381 4.470 -0.001 0.000 0.231 343 S C 0.993 175.400 174.600 -0.323 0.000 0.996 343 S CA 0.771 58.720 58.200 -0.419 0.000 0.942 343 S CB -0.246 62.647 63.200 -0.512 0.000 0.768 343 S HN 0.592 nan 8.310 nan 0.000 0.520 344 H N 0.047 119.087 119.070 -0.049 0.000 2.594 344 H HA 0.454 5.010 4.556 -0.001 0.000 0.279 344 H C -0.110 175.220 175.328 0.004 0.000 1.042 344 H CA -0.165 55.868 56.048 -0.026 0.000 1.177 344 H CB 0.176 29.909 29.762 -0.048 0.000 1.524 344 H HN 0.360 nan 8.280 nan 0.000 0.537 345 M N 2.085 121.744 119.600 0.097 0.000 2.746 345 M HA 0.182 4.661 4.480 -0.001 0.000 0.209 345 M C -1.988 174.397 176.300 0.142 0.000 1.077 345 M CA -1.616 53.772 55.300 0.147 0.000 0.695 345 M CB 1.620 34.343 32.600 0.205 0.000 1.416 345 M HN -0.023 nan 8.290 nan 0.000 0.459 346 P HA -0.244 nan 4.420 nan 0.000 0.216 346 P C 1.169 178.622 177.300 0.255 0.000 1.153 346 P CA 1.728 64.940 63.100 0.186 0.000 0.858 346 P CB 0.102 31.929 31.700 0.210 0.000 0.789 347 Y N 1.472 121.857 120.300 0.142 0.000 2.114 347 Y HA -0.155 4.395 4.550 -0.001 0.000 0.284 347 Y C 2.494 178.477 175.900 0.138 0.000 1.143 347 Y CA 2.443 60.622 58.100 0.131 0.000 1.135 347 Y CB -1.193 37.326 38.460 0.099 0.000 0.980 347 Y HN -0.092 nan 8.280 nan 0.000 0.499 348 T N -0.258 114.427 114.554 0.218 0.000 2.849 348 T HA -0.197 4.152 4.350 -0.001 0.000 0.270 348 T C 1.327 176.096 174.700 0.114 0.000 1.066 348 T CA 1.678 63.865 62.100 0.144 0.000 1.130 348 T CB -0.381 68.605 68.868 0.198 0.000 0.864 348 T HN 0.385 nan 8.240 nan 0.000 0.481 349 D N 0.804 121.270 120.400 0.110 0.000 2.123 349 D HA 0.086 4.725 4.640 -0.001 0.000 0.200 349 D C 2.253 178.652 176.300 0.165 0.000 0.976 349 D CA 0.972 54.991 54.000 0.032 0.000 0.831 349 D CB -0.265 40.347 40.800 -0.313 0.000 0.974 349 D HN 0.314 nan 8.370 nan 0.000 0.469 350 A N -0.081 122.866 122.820 0.212 0.000 1.902 350 A HA -0.130 4.190 4.320 -0.001 0.000 0.217 350 A C 2.463 180.000 177.584 -0.079 0.000 1.181 350 A CA 1.497 53.627 52.037 0.155 0.000 0.623 350 A CB -0.905 18.099 19.000 0.008 0.000 0.818 350 A HN 0.196 nan 8.150 nan 0.000 0.443 351 V N -0.229 119.558 119.914 -0.212 0.000 2.255 351 V HA -0.260 3.859 4.120 -0.001 0.000 0.247 351 V C 2.588 178.676 176.094 -0.010 0.000 1.051 351 V CA 2.178 64.376 62.300 -0.171 0.000 1.018 351 V CB -0.798 30.951 31.823 -0.122 0.000 0.641 351 V HN 0.388 nan 8.190 nan 0.000 0.445 352 V N -0.595 119.337 119.914 0.031 0.000 2.568 352 V HA -0.297 3.823 4.120 -0.001 0.000 0.253 352 V C 2.215 178.277 176.094 -0.053 0.000 1.072 352 V CA 2.232 64.557 62.300 0.043 0.000 1.084 352 V CB -0.990 30.881 31.823 0.079 0.000 0.676 352 V HN 0.631 nan 8.190 nan 0.000 0.469 353 H N -0.330 118.593 119.070 -0.244 0.000 2.403 353 H HA -0.065 4.491 4.556 -0.001 0.000 0.298 353 H C 2.304 177.367 175.328 -0.441 0.000 1.059 353 H CA 1.544 57.221 56.048 -0.619 0.000 1.363 353 H CB 0.113 28.985 29.762 -1.483 0.000 1.410 353 H HN 0.404 nan 8.280 nan 0.000 0.528 354 E N 0.502 120.591 120.200 -0.185 0.000 2.274 354 E HA -0.045 4.305 4.350 -0.001 0.000 0.194 354 E C 1.771 178.470 176.600 0.166 0.000 0.996 354 E CA 0.530 56.950 56.400 0.032 0.000 0.840 354 E CB -0.236 29.349 29.700 -0.192 0.000 0.772 354 E HN 0.492 nan 8.360 nan 0.000 0.491 355 I N 0.394 121.091 120.570 0.212 0.000 2.353 355 I HA -0.240 3.929 4.170 -0.001 0.000 0.248 355 I C 2.224 178.410 176.117 0.114 0.000 1.119 355 I CA 0.987 62.451 61.300 0.274 0.000 1.417 355 I CB -0.192 37.923 38.000 0.192 0.000 1.078 355 I HN 0.220 nan 8.210 nan 0.000 0.421 356 Q N 0.158 120.005 119.800 0.078 0.000 2.083 356 Q HA -0.173 4.166 4.340 -0.001 0.000 0.198 356 Q C 2.318 178.282 176.000 -0.060 0.000 0.969 356 Q CA 0.934 56.721 55.803 -0.026 0.000 0.838 356 Q CB -0.227 28.488 28.738 -0.040 0.000 0.900 356 Q HN 0.416 nan 8.270 nan 0.000 0.436 357 R N 0.057 120.594 120.500 0.062 0.000 2.081 357 R HA -0.193 4.146 4.340 -0.001 0.000 0.235 357 R C 2.091 178.322 176.300 -0.114 0.000 1.131 357 R CA 1.348 57.422 56.100 -0.043 0.000 0.960 357 R CB -0.198 30.142 30.300 0.068 0.000 0.856 357 R HN 0.264 nan 8.270 nan 0.000 0.436 358 Y N 0.833 121.080 120.300 -0.089 0.000 2.153 358 Y HA -0.154 4.396 4.550 -0.001 0.000 0.289 358 Y C 2.601 178.434 175.900 -0.111 0.000 1.127 358 Y CA 1.947 60.023 58.100 -0.040 0.000 1.131 358 Y CB -0.330 38.202 38.460 0.119 0.000 0.995 358 Y HN 0.184 nan 8.280 nan 0.000 0.505 359 S N -0.319 115.274 115.700 -0.178 0.000 2.474 359 S HA -0.166 4.304 4.470 -0.001 0.000 0.235 359 S C 0.796 175.283 174.600 -0.189 0.000 0.997 359 S CA 0.906 58.781 58.200 -0.543 0.000 0.949 359 S CB -0.753 62.023 63.200 -0.708 0.000 0.766 359 S HN 0.604 nan 8.310 nan 0.000 0.517 360 D N 0.288 120.617 120.400 -0.118 0.000 2.829 360 D HA -0.171 4.469 4.640 -0.001 0.000 0.219 360 D C 0.422 176.717 176.300 -0.009 0.000 1.239 360 D CA 0.561 54.534 54.000 -0.045 0.000 0.685 360 D CB -1.512 39.332 40.800 0.073 0.000 0.950 360 D HN 0.420 nan 8.370 nan 0.000 0.398 361 L N 1.174 122.379 121.223 -0.030 0.000 2.064 361 L HA -0.152 4.187 4.340 -0.001 0.000 0.216 361 L C 0.912 177.796 176.870 0.023 0.000 1.077 361 L CA 1.625 56.473 54.840 0.013 0.000 0.766 361 L CB 0.189 42.227 42.059 -0.034 0.000 0.890 361 L HN 0.276 nan 8.230 nan 0.000 0.435 362 V N -0.017 119.893 119.914 -0.006 0.000 2.320 362 V HA 0.230 4.350 4.120 -0.001 0.000 0.268 362 V C -1.638 174.467 176.094 0.020 0.000 1.021 362 V CA -0.892 61.418 62.300 0.017 0.000 0.813 362 V CB 0.909 32.736 31.823 0.008 0.000 1.054 362 V HN 0.098 nan 8.190 nan 0.000 0.444 363 P HA -0.122 nan 4.420 nan 0.000 0.215 363 P C 1.616 178.963 177.300 0.078 0.000 1.153 363 P CA 1.643 64.778 63.100 0.059 0.000 0.853 363 P CB 0.167 31.897 31.700 0.050 0.000 0.788 364 T N -4.917 109.685 114.554 0.079 0.000 3.107 364 T HA 0.432 4.782 4.350 -0.001 0.000 0.249 364 T C 1.006 175.742 174.700 0.061 0.000 1.096 364 T CA 0.188 62.355 62.100 0.110 0.000 1.012 364 T CB -0.924 68.028 68.868 0.142 0.000 0.977 364 T HN 0.318 nan 8.240 nan 0.000 0.527 365 G N 0.849 109.670 108.800 0.036 0.000 2.796 365 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.226 365 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.226 365 G C -0.599 174.327 174.900 0.043 0.000 1.381 365 G CA -0.521 44.588 45.100 0.016 0.000 0.867 365 G HN 0.737 nan 8.290 nan 0.000 0.552 366 V N 3.042 122.999 119.914 0.071 0.000 2.481 366 V HA 0.516 4.635 4.120 -0.001 0.000 0.286 366 V C -1.209 174.971 176.094 0.144 0.000 1.042 366 V CA -0.741 61.620 62.300 0.102 0.000 0.928 366 V CB 1.567 33.462 31.823 0.120 0.000 0.986 366 V HN 0.802 nan 8.190 nan 0.000 0.462 367 P HA 0.105 nan 4.420 nan 0.000 0.265 367 P C -0.400 177.008 177.300 0.180 0.000 1.193 367 P CA 0.427 63.578 63.100 0.086 0.000 0.765 367 P CB 0.562 32.270 31.700 0.012 0.000 0.823 368 H N 0.731 119.770 119.070 -0.052 0.000 2.994 368 H HA 0.760 5.316 4.556 -0.001 0.000 0.276 368 H C -0.395 174.882 175.328 -0.086 0.000 1.575 368 H CA -1.239 54.769 56.048 -0.067 0.000 1.583 368 H CB 2.021 31.767 29.762 -0.027 0.000 1.735 368 H HN 0.544 nan 8.280 nan 0.000 0.901 369 A N 0.795 123.620 122.820 0.009 0.000 2.555 369 A HA 0.365 4.685 4.320 -0.001 0.000 0.297 369 A C -0.851 176.642 177.584 -0.151 0.000 1.060 369 A CA -0.703 51.285 52.037 -0.081 0.000 0.710 369 A CB 0.660 19.595 19.000 -0.108 0.000 1.282 369 A HN 0.419 nan 8.150 nan 0.000 0.399 370 V N 0.967 120.748 119.914 -0.221 0.000 2.686 370 V HA 0.473 4.593 4.120 -0.001 0.000 0.295 370 V C 1.440 177.404 176.094 -0.216 0.000 1.055 370 V CA 0.635 62.735 62.300 -0.333 0.000 1.050 370 V CB 0.409 31.964 31.823 -0.448 0.000 0.984 370 V HN 1.403 nan 8.190 nan 0.000 0.482 371 T N 0.545 114.979 114.554 -0.199 0.000 2.867 371 T HA 0.054 4.403 4.350 -0.001 0.000 0.268 371 T C 0.791 175.432 174.700 -0.098 0.000 1.057 371 T CA 1.154 63.176 62.100 -0.131 0.000 1.136 371 T CB -0.455 68.353 68.868 -0.101 0.000 0.874 371 T HN 1.308 nan 8.240 nan 0.000 0.466 372 T N -1.741 112.750 114.554 -0.105 0.000 2.671 372 T HA 0.451 4.801 4.350 -0.001 0.000 0.300 372 T C -1.853 172.800 174.700 -0.078 0.000 1.238 372 T CA -1.036 61.021 62.100 -0.071 0.000 1.020 372 T CB 0.879 69.721 68.868 -0.044 0.000 1.503 372 T HN -0.093 nan 8.240 nan 0.000 0.497 373 D N 1.885 122.257 120.400 -0.047 0.000 2.472 373 D HA 0.402 5.042 4.640 -0.001 0.000 0.248 373 D C -0.227 176.053 176.300 -0.033 0.000 1.174 373 D CA 0.860 54.839 54.000 -0.035 0.000 0.883 373 D CB 0.401 41.195 40.800 -0.011 0.000 1.149 373 D HN 0.557 nan 8.370 nan 0.000 0.488 374 T N 2.543 117.072 114.554 -0.042 0.000 2.855 374 T HA 0.344 4.693 4.350 -0.001 0.000 0.281 374 T C 0.094 174.844 174.700 0.084 0.000 1.007 374 T CA -0.868 61.222 62.100 -0.017 0.000 1.009 374 T CB 1.653 70.434 68.868 -0.146 0.000 0.983 374 T HN 0.137 nan 8.240 nan 0.000 0.455 375 K N 2.174 122.652 120.400 0.131 0.000 2.240 375 K HA 0.500 4.820 4.320 -0.001 0.000 0.271 375 K C -1.639 175.141 176.600 0.300 0.000 1.018 375 K CA -0.666 55.727 56.287 0.175 0.000 0.874 375 K CB 0.562 33.122 32.500 0.099 0.000 1.098 375 K HN 0.506 nan 8.250 nan 0.000 0.458 376 F N 6.179 126.251 119.950 0.203 0.000 2.513 376 F HA 0.278 4.804 4.527 -0.001 0.000 0.358 376 F C -0.605 175.349 175.800 0.256 0.000 1.118 376 F CA -0.802 57.358 58.000 0.267 0.000 1.037 376 F CB 0.636 39.873 39.000 0.396 0.000 1.276 376 F HN 0.630 nan 8.300 nan 0.000 0.446 377 R N 4.973 125.355 120.500 -0.196 0.000 2.229 377 R HA -0.307 4.033 4.340 -0.001 0.000 0.253 377 R C 0.032 176.241 176.300 -0.153 0.000 0.950 377 R CA 1.059 57.050 56.100 -0.181 0.000 0.872 377 R CB -1.510 28.615 30.300 -0.291 0.000 2.325 377 R HN 0.886 nan 8.270 nan 0.000 0.531 378 N N -1.724 116.851 118.700 -0.208 0.000 2.946 378 N HA -0.222 4.517 4.740 -0.001 0.000 0.207 378 N C -0.751 174.466 175.510 -0.488 0.000 0.906 378 N CA 2.322 55.120 53.050 -0.420 0.000 1.035 378 N CB -1.160 36.897 38.487 -0.715 0.000 0.998 378 N HN 0.735 nan 8.380 nan 0.000 0.595 379 Y N 0.581 120.938 120.300 0.094 0.000 2.509 379 Y HA 0.742 5.291 4.550 -0.001 0.000 0.341 379 Y C 0.307 176.274 175.900 0.111 0.000 1.038 379 Y CA -0.901 57.261 58.100 0.104 0.000 1.089 379 Y CB 1.705 40.245 38.460 0.133 0.000 1.241 379 Y HN 0.034 nan 8.280 nan 0.000 0.468 380 L N 3.639 125.005 121.223 0.237 0.000 2.333 380 L HA 0.644 4.983 4.340 -0.001 0.000 0.280 380 L C -1.430 175.509 176.870 0.115 0.000 1.004 380 L CA -0.451 54.477 54.840 0.147 0.000 0.820 380 L CB 0.891 43.003 42.059 0.087 0.000 1.247 380 L HN 0.613 nan 8.230 nan 0.000 0.416 381 I N 7.357 127.975 120.570 0.080 0.000 2.354 381 I HA 0.356 4.526 4.170 -0.001 0.000 0.286 381 I C -2.042 174.058 176.117 -0.028 0.000 1.007 381 I CA -2.063 59.244 61.300 0.011 0.000 1.167 381 I CB 1.672 39.665 38.000 -0.012 0.000 1.320 381 I HN 0.438 nan 8.210 nan 0.000 0.458 382 P HA -0.060 nan 4.420 nan 0.000 0.265 382 P C -0.463 176.801 177.300 -0.059 0.000 1.193 382 P CA -0.170 62.911 63.100 -0.031 0.000 0.765 382 P CB 0.669 32.358 31.700 -0.017 0.000 0.823 383 K N 2.310 122.676 120.400 -0.056 0.000 2.550 383 K HA 0.053 4.373 4.320 -0.001 0.000 0.280 383 K C 1.313 177.871 176.600 -0.070 0.000 0.987 383 K CA 1.190 57.434 56.287 -0.072 0.000 1.048 383 K CB -0.662 31.806 32.500 -0.053 0.000 0.879 383 K HN 0.787 nan 8.250 nan 0.000 0.491 384 G N 2.375 111.121 108.800 -0.089 0.000 2.299 384 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.237 384 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.237 384 G C 0.202 175.051 174.900 -0.085 0.000 1.027 384 G CA 0.297 45.349 45.100 -0.079 0.000 0.619 384 G HN 0.743 nan 8.290 nan 0.000 0.513 385 T N 2.416 116.915 114.554 -0.092 0.000 2.939 385 T HA 0.367 4.717 4.350 -0.001 0.000 0.312 385 T C 0.696 175.329 174.700 -0.112 0.000 1.064 385 T CA 1.175 63.212 62.100 -0.104 0.000 1.136 385 T CB 0.787 69.584 68.868 -0.117 0.000 1.035 385 T HN 0.341 nan 8.240 nan 0.000 0.538 386 T N 4.628 119.108 114.554 -0.124 0.000 2.794 386 T HA 0.361 4.710 4.350 -0.001 0.000 0.296 386 T C 0.398 175.029 174.700 -0.115 0.000 0.949 386 T CA -0.528 61.503 62.100 -0.116 0.000 1.101 386 T CB 0.127 68.908 68.868 -0.145 0.000 0.905 386 T HN 0.275 nan 8.240 nan 0.000 0.516 387 I N 3.104 123.656 120.570 -0.030 0.000 2.793 387 I HA 0.551 4.720 4.170 -0.001 0.000 0.313 387 I C 0.043 176.154 176.117 -0.010 0.000 0.998 387 I CA -1.115 60.218 61.300 0.055 0.000 1.140 387 I CB 1.739 39.874 38.000 0.225 0.000 1.327 387 I HN 0.657 nan 8.210 nan 0.000 0.491 388 M N 3.545 123.142 119.600 -0.006 0.000 2.213 388 M HA 0.484 4.964 4.480 -0.001 0.000 0.243 388 M C -1.341 174.939 176.300 -0.034 0.000 0.979 388 M CA -0.257 54.998 55.300 -0.074 0.000 1.037 388 M CB 1.326 33.827 32.600 -0.165 0.000 2.200 388 M HN 0.605 nan 8.290 nan 0.000 0.465 389 A N 5.454 128.203 122.820 -0.118 0.000 2.316 389 A HA 0.567 4.886 4.320 -0.001 0.000 0.311 389 A C -0.409 177.137 177.584 -0.063 0.000 1.339 389 A CA -0.496 51.458 52.037 -0.139 0.000 0.960 389 A CB -0.115 18.685 19.000 -0.333 0.000 1.152 389 A HN 0.897 nan 8.150 nan 0.000 0.547 390 L N 4.844 126.076 121.223 0.016 0.000 2.536 390 L HA 0.020 4.359 4.340 -0.001 0.000 0.282 390 L C 1.147 178.049 176.870 0.052 0.000 1.174 390 L CA -0.263 54.629 54.840 0.087 0.000 0.989 390 L CB -0.240 41.944 42.059 0.208 0.000 1.311 390 L HN 0.807 nan 8.230 nan 0.000 0.455 391 L N 1.384 122.623 121.223 0.026 0.000 1.990 391 L HA -0.247 4.092 4.340 -0.001 0.000 0.213 391 L C 2.634 179.542 176.870 0.063 0.000 1.072 391 L CA 1.965 56.812 54.840 0.013 0.000 0.755 391 L CB -0.763 41.285 42.059 -0.017 0.000 0.889 391 L HN 0.686 nan 8.230 nan 0.000 0.432 392 T N -0.515 114.102 114.554 0.105 0.000 2.760 392 T HA -0.228 4.121 4.350 -0.001 0.000 0.269 392 T C 2.030 176.885 174.700 0.259 0.000 1.047 392 T CA 1.914 64.141 62.100 0.212 0.000 1.139 392 T CB -0.241 68.737 68.868 0.184 0.000 0.855 392 T HN 0.602 nan 8.240 nan 0.000 0.471 393 S N -0.352 115.436 115.700 0.147 0.000 2.474 393 S HA 0.001 4.471 4.470 -0.001 0.000 0.235 393 S C 1.912 176.548 174.600 0.061 0.000 0.997 393 S CA 1.019 59.243 58.200 0.041 0.000 0.949 393 S CB -0.308 62.750 63.200 -0.236 0.000 0.766 393 S HN 0.416 nan 8.310 nan 0.000 0.517 394 V N 1.451 121.429 119.914 0.106 0.000 2.492 394 V HA 0.176 4.296 4.120 -0.001 0.000 0.241 394 V C 2.344 178.617 176.094 0.299 0.000 1.041 394 V CA 0.868 63.269 62.300 0.168 0.000 1.057 394 V CB -0.653 31.240 31.823 0.117 0.000 0.711 394 V HN 0.428 nan 8.190 nan 0.000 0.468 395 L N -0.135 121.196 121.223 0.180 0.000 2.447 395 L HA -0.145 4.194 4.340 -0.001 0.000 0.225 395 L C 1.368 178.127 176.870 -0.185 0.000 1.148 395 L CA 1.450 56.305 54.840 0.025 0.000 0.808 395 L CB -0.500 41.450 42.059 -0.182 0.000 0.928 395 L HN 0.526 nan 8.230 nan 0.000 0.448 396 H N -2.337 116.854 119.070 0.202 0.000 2.567 396 H HA 0.125 4.681 4.556 -0.000 0.000 0.267 396 H C -0.061 175.398 175.328 0.218 0.000 1.148 396 H CA -0.577 55.573 56.048 0.170 0.000 1.031 396 H CB 0.175 29.989 29.762 0.086 0.000 1.691 396 H HN 0.023 nan 8.280 nan 0.000 0.588 397 D N 2.078 122.699 120.400 0.367 0.000 2.451 397 D HA -0.096 4.543 4.640 -0.001 0.000 0.254 397 D C 0.777 177.150 176.300 0.123 0.000 1.204 397 D CA 0.286 54.421 54.000 0.226 0.000 0.896 397 D CB 0.770 41.723 40.800 0.256 0.000 1.136 397 D HN 0.522 nan 8.370 nan 0.000 0.499 398 D N 3.262 123.723 120.400 0.102 0.000 2.378 398 D HA -0.137 4.503 4.640 -0.001 0.000 0.227 398 D C 0.856 177.147 176.300 -0.015 0.000 1.012 398 D CA 0.611 54.651 54.000 0.066 0.000 0.905 398 D CB 0.303 41.154 40.800 0.085 0.000 0.895 398 D HN 0.186 nan 8.370 nan 0.000 0.532 399 K N 0.283 120.631 120.400 -0.087 0.000 2.190 399 K HA 0.049 4.369 4.320 -0.001 0.000 0.202 399 K C 1.938 178.340 176.600 -0.330 0.000 1.045 399 K CA 0.826 57.021 56.287 -0.154 0.000 0.976 399 K CB -0.187 32.238 32.500 -0.125 0.000 0.849 399 K HN 0.023 nan 8.250 nan 0.000 0.468 400 E N -0.285 119.555 120.200 -0.601 0.000 2.268 400 E HA -0.024 4.325 4.350 -0.001 0.000 0.195 400 E C -0.654 175.298 176.600 -1.079 0.000 0.995 400 E CA 0.895 56.639 56.400 -1.093 0.000 0.836 400 E CB 0.165 28.685 29.700 -1.966 0.000 0.763 400 E HN 0.217 nan 8.360 nan 0.000 0.491 401 F N 0.260 120.006 119.950 -0.340 0.000 2.769 401 F HA 0.365 4.892 4.527 -0.001 0.000 0.358 401 F C -2.296 173.372 175.800 -0.220 0.000 1.285 401 F CA -2.722 55.019 58.000 -0.431 0.000 1.199 401 F CB 1.623 40.237 39.000 -0.643 0.000 1.558 401 F HN -0.228 nan 8.300 nan 0.000 0.583 402 P HA -0.057 nan 4.420 nan 0.000 0.264 402 P C -0.258 177.176 177.300 0.224 0.000 1.183 402 P CA 0.573 63.739 63.100 0.110 0.000 0.763 402 P CB 0.305 32.052 31.700 0.078 0.000 0.807 403 N N 1.878 120.679 118.700 0.168 0.000 2.708 403 N HA -0.125 4.615 4.740 -0.001 0.000 0.255 403 N C -1.548 174.115 175.510 0.256 0.000 1.046 403 N CA 0.242 53.409 53.050 0.195 0.000 0.715 403 N CB -1.145 37.455 38.487 0.187 0.000 0.895 403 N HN 0.446 nan 8.380 nan 0.000 0.545 404 P HA -0.117 nan 4.420 nan 0.000 0.228 404 P C 0.584 178.064 177.300 0.301 0.000 1.151 404 P CA 0.997 64.194 63.100 0.162 0.000 0.770 404 P CB 0.304 32.134 31.700 0.217 0.000 0.786 405 N N 0.228 119.111 118.700 0.304 0.000 2.270 405 N HA 0.117 4.856 4.740 -0.001 0.000 0.198 405 N C 0.722 176.508 175.510 0.461 0.000 1.117 405 N CA 0.123 53.379 53.050 0.342 0.000 0.845 405 N CB 0.475 39.089 38.487 0.212 0.000 0.980 405 N HN 0.372 nan 8.380 nan 0.000 0.486 406 I N -1.852 118.960 120.570 0.403 0.000 2.406 406 I HA 0.374 4.544 4.170 -0.001 0.000 0.290 406 I C -0.335 175.907 176.117 0.208 0.000 0.999 406 I CA -1.070 60.414 61.300 0.308 0.000 1.124 406 I CB 0.915 39.034 38.000 0.197 0.000 1.289 406 I HN -0.267 nan 8.210 nan 0.000 0.441 407 F N 6.157 125.935 119.950 -0.286 0.000 2.571 407 F HA 0.276 4.803 4.527 -0.001 0.000 0.384 407 F C -0.216 175.373 175.800 -0.351 0.000 1.058 407 F CA 0.788 58.464 58.000 -0.539 0.000 1.200 407 F CB 0.143 38.513 39.000 -1.049 0.000 1.077 407 F HN 0.674 nan 8.300 nan 0.000 0.558 408 D N 7.820 127.777 120.400 -0.738 0.000 2.548 408 D HA 0.244 4.883 4.640 -0.001 0.000 0.214 408 D C -2.479 173.455 176.300 -0.611 0.000 1.345 408 D CA -1.612 51.995 54.000 -0.654 0.000 0.945 408 D CB 1.923 42.389 40.800 -0.557 0.000 1.499 408 D HN 0.129 nan 8.370 nan 0.000 0.579 409 P HA 0.048 nan 4.420 nan 0.000 0.223 409 P C 1.379 178.572 177.300 -0.178 0.000 1.144 409 P CA 0.974 63.860 63.100 -0.356 0.000 0.783 409 P CB 0.326 31.721 31.700 -0.509 0.000 0.771 410 G N -0.928 107.739 108.800 -0.221 0.000 2.462 410 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.220 410 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.220 410 G C 1.153 175.966 174.900 -0.145 0.000 1.121 410 G CA 0.658 45.662 45.100 -0.160 0.000 0.758 410 G HN 0.370 nan 8.290 nan 0.000 0.559 411 H N -1.250 117.737 119.070 -0.139 0.000 2.457 411 H HA -0.008 4.548 4.556 -0.001 0.000 0.297 411 H C 0.826 175.851 175.328 -0.504 0.000 1.092 411 H CA 0.784 56.689 56.048 -0.239 0.000 1.309 411 H CB -0.028 29.574 29.762 -0.267 0.000 1.382 411 H HN 0.441 nan 8.280 nan 0.000 0.535 412 F N 0.123 120.012 119.950 -0.101 0.000 2.855 412 F HA 0.264 4.790 4.527 -0.001 0.000 0.317 412 F C -0.697 174.836 175.800 -0.444 0.000 1.169 412 F CA -0.288 57.491 58.000 -0.367 0.000 1.299 412 F CB 0.803 39.551 39.000 -0.421 0.000 0.962 412 F HN -0.062 nan 8.300 nan 0.000 0.506 413 L N 0.749 121.879 121.223 -0.155 0.000 2.422 413 L HA 0.383 4.723 4.340 -0.001 0.000 0.264 413 L C -0.514 176.302 176.870 -0.090 0.000 0.984 413 L CA -0.918 53.867 54.840 -0.091 0.000 0.819 413 L CB 1.563 43.624 42.059 0.003 0.000 1.330 413 L HN 0.053 nan 8.230 nan 0.000 0.410 414 D N 2.193 122.555 120.400 -0.063 0.000 2.437 414 D HA 0.223 4.862 4.640 -0.001 0.000 0.259 414 D C 0.579 176.865 176.300 -0.024 0.000 1.118 414 D CA -0.494 53.473 54.000 -0.055 0.000 1.017 414 D CB 0.860 41.631 40.800 -0.048 0.000 1.120 414 D HN 0.352 nan 8.370 nan 0.000 0.541 415 K N 0.330 120.714 120.400 -0.026 0.000 2.366 415 K HA -0.161 4.158 4.320 -0.001 0.000 0.202 415 K C 0.436 177.036 176.600 -0.000 0.000 1.045 415 K CA 0.837 57.116 56.287 -0.014 0.000 0.934 415 K CB -0.585 31.904 32.500 -0.018 0.000 0.746 415 K HN 0.399 nan 8.250 nan 0.000 0.470 416 N N -0.001 118.703 118.700 0.007 0.000 2.236 416 N HA 0.047 4.787 4.740 -0.001 0.000 0.196 416 N C 0.705 176.238 175.510 0.039 0.000 1.114 416 N CA 0.811 53.873 53.050 0.020 0.000 0.859 416 N CB 1.025 39.524 38.487 0.021 0.000 0.982 416 N HN 0.446 nan 8.380 nan 0.000 0.493 417 G N 1.074 109.903 108.800 0.047 0.000 2.143 417 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.248 417 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.248 417 G C -0.254 174.713 174.900 0.111 0.000 0.991 417 G CA -0.163 44.989 45.100 0.086 0.000 0.689 417 G HN 0.396 nan 8.290 nan 0.000 0.522 418 N N -0.750 118.000 118.700 0.083 0.000 2.509 418 N HA 0.572 5.312 4.740 -0.001 0.000 0.287 418 N C -0.080 175.500 175.510 0.115 0.000 1.121 418 N CA -0.758 52.355 53.050 0.105 0.000 0.977 418 N CB 0.944 39.474 38.487 0.071 0.000 1.167 418 N HN 0.194 nan 8.380 nan 0.000 0.476 419 F N 1.633 121.589 119.950 0.009 0.000 2.572 419 F HA 0.029 4.556 4.527 -0.001 0.000 0.370 419 F C 0.578 176.363 175.800 -0.025 0.000 1.103 419 F CA 0.304 58.293 58.000 -0.019 0.000 1.286 419 F CB 0.497 39.458 39.000 -0.064 0.000 1.105 419 F HN 0.284 nan 8.300 nan 0.000 0.583 420 K N 6.194 126.132 120.400 -0.769 0.000 2.527 420 K HA 0.223 4.543 4.320 -0.001 0.000 0.240 420 K C -0.729 175.486 176.600 -0.641 0.000 0.989 420 K CA -0.966 55.025 56.287 -0.494 0.000 0.985 420 K CB 0.683 32.982 32.500 -0.334 0.000 1.221 420 K HN 0.478 nan 8.250 nan 0.000 0.458 421 K N 1.531 121.739 120.400 -0.321 0.000 2.380 421 K HA 0.108 4.428 4.320 -0.001 0.000 0.267 421 K C -0.889 175.702 176.600 -0.014 0.000 0.990 421 K CA 0.301 56.550 56.287 -0.063 0.000 0.946 421 K CB 1.163 33.750 32.500 0.146 0.000 0.937 421 K HN 0.404 nan 8.250 nan 0.000 0.491 422 S N 2.081 117.879 115.700 0.163 0.000 2.521 422 S HA 0.301 4.771 4.470 -0.001 0.000 0.295 422 S C -0.331 174.455 174.600 0.309 0.000 1.098 422 S CA -0.777 57.529 58.200 0.176 0.000 0.999 422 S CB 0.983 64.323 63.200 0.234 0.000 1.034 422 S HN 0.614 nan 8.310 nan 0.000 0.483 423 D N 2.210 122.747 120.400 0.228 0.000 2.347 423 D HA 0.048 4.688 4.640 -0.001 0.000 0.215 423 D C 0.332 176.797 176.300 0.275 0.000 0.976 423 D CA 0.985 55.134 54.000 0.248 0.000 0.884 423 D CB 0.030 40.926 40.800 0.160 0.000 0.915 423 D HN 0.618 nan 8.370 nan 0.000 0.526 424 Y N -0.789 119.507 120.300 -0.007 0.000 2.461 424 Y HA 0.149 4.698 4.550 -0.001 0.000 0.277 424 Y C 0.312 176.460 175.900 0.413 0.000 1.182 424 Y CA -0.657 57.486 58.100 0.072 0.000 1.276 424 Y CB -0.485 37.846 38.460 -0.214 0.000 1.087 424 Y HN -0.164 nan 8.280 nan 0.000 0.519 425 F N 1.537 121.772 119.950 0.476 0.000 2.451 425 F HA 0.322 4.848 4.527 -0.001 0.000 0.356 425 F C 0.298 176.292 175.800 0.322 0.000 1.178 425 F CA -0.402 57.883 58.000 0.475 0.000 1.210 425 F CB -0.090 39.269 39.000 0.598 0.000 1.504 425 F HN -0.070 nan 8.300 nan 0.000 0.598 426 M N 7.398 126.976 119.600 -0.037 0.000 2.959 426 M HA 0.181 4.661 4.480 -0.001 0.000 0.337 426 M C -1.618 174.544 176.300 -0.230 0.000 1.220 426 M CA -1.089 54.172 55.300 -0.066 0.000 0.893 426 M CB 0.256 32.873 32.600 0.029 0.000 1.322 426 M HN 0.225 nan 8.290 nan 0.000 0.519 427 P HA -0.052 nan 4.420 nan 0.000 0.226 427 P C 0.583 177.594 177.300 -0.482 0.000 1.153 427 P CA 1.127 63.901 63.100 -0.543 0.000 0.777 427 P CB 0.004 31.225 31.700 -0.797 0.000 0.794 428 F N -0.318 119.536 119.950 -0.159 0.000 2.664 428 F HA 0.269 4.795 4.527 -0.000 0.000 0.303 428 F C 1.520 177.314 175.800 -0.010 0.000 1.092 428 F CA 0.232 58.202 58.000 -0.051 0.000 1.305 428 F CB -0.285 38.708 39.000 -0.012 0.000 1.054 428 F HN -0.055 nan 8.300 nan 0.000 0.565 429 S N -0.095 115.657 115.700 0.087 0.000 3.736 429 S HA 0.119 4.588 4.470 -0.001 0.000 0.635 429 S C -0.322 174.332 174.600 0.090 0.000 2.177 429 S CA -0.091 58.146 58.200 0.062 0.000 2.442 429 S CB -1.092 62.163 63.200 0.091 0.000 0.329 429 S HN 1.067 nan 8.310 nan 0.000 1.710 430 A N -0.113 122.746 122.820 0.065 0.000 2.524 430 A HA 0.951 5.271 4.320 -0.001 0.000 0.303 430 A C 1.025 178.652 177.584 0.071 0.000 1.195 430 A CA 0.800 52.877 52.037 0.068 0.000 0.651 430 A CB 0.125 19.140 19.000 0.025 0.000 1.323 430 A HN 3.025 nan 8.150 nan 0.000 0.479 431 G N -0.460 108.375 108.800 0.059 0.000 2.698 431 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.233 431 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.233 431 G C 0.311 175.290 174.900 0.133 0.000 1.352 431 G CA 0.455 45.601 45.100 0.076 0.000 0.879 431 G HN 1.023 nan 8.290 nan 0.000 0.567 432 K N -0.144 120.354 120.400 0.165 0.000 2.515 432 K HA 0.018 4.337 4.320 -0.001 0.000 0.196 432 K C 1.992 178.790 176.600 0.330 0.000 1.038 432 K CA 1.217 57.638 56.287 0.224 0.000 0.967 432 K CB 0.064 32.714 32.500 0.251 0.000 0.780 432 K HN 0.367 nan 8.250 nan 0.000 0.483 433 R N 0.954 121.630 120.500 0.293 0.000 2.700 433 R HA 0.250 4.589 4.340 -0.001 0.000 0.399 433 R C -0.255 176.201 176.300 0.259 0.000 1.115 433 R CA -0.217 56.081 56.100 0.332 0.000 1.058 433 R CB 0.236 30.616 30.300 0.133 0.000 1.389 433 R HN 0.087 nan 8.270 nan 0.000 0.582 434 I N 0.337 121.032 120.570 0.208 0.000 2.892 434 I HA -0.086 4.084 4.170 -0.001 0.000 0.287 434 I C 0.467 176.682 176.117 0.164 0.000 1.205 434 I CA -0.072 61.332 61.300 0.174 0.000 1.409 434 I CB 0.565 38.645 38.000 0.134 0.000 1.367 434 I HN 0.325 nan 8.210 nan 0.000 0.597 435 C N 7.120 126.530 119.300 0.184 0.000 2.298 435 C HA 0.020 4.479 4.460 -0.001 0.000 0.395 435 C C 1.747 176.785 174.990 0.081 0.000 1.526 435 C CA 0.183 59.302 59.018 0.170 0.000 1.458 435 C CB -0.942 26.977 27.740 0.299 0.000 2.506 435 C HN 0.915 nan 8.230 nan 0.000 0.604 436 A N 4.304 127.173 122.820 0.081 0.000 2.168 436 A HA 0.198 4.517 4.320 -0.001 0.000 0.215 436 A C 1.807 179.388 177.584 -0.005 0.000 1.152 436 A CA 1.434 53.494 52.037 0.040 0.000 0.716 436 A CB -0.299 18.737 19.000 0.060 0.000 0.794 436 A HN 1.431 nan 8.150 nan 0.000 0.465 437 G N -1.164 107.630 108.800 -0.010 0.000 3.735 437 G HA2 0.247 4.207 3.960 -0.001 0.000 0.283 437 G HA3 0.247 4.207 3.960 -0.001 0.000 0.283 437 G C 0.749 175.591 174.900 -0.098 0.000 1.007 437 G CA 0.649 45.720 45.100 -0.047 0.000 0.821 437 G HN 0.524 nan 8.290 nan 0.000 0.505 438 E N 0.725 120.799 120.200 -0.209 0.000 2.068 438 E HA -0.195 4.155 4.350 -0.001 0.000 0.207 438 E C 2.484 178.825 176.600 -0.432 0.000 1.032 438 E CA 1.841 57.872 56.400 -0.615 0.000 0.839 438 E CB -0.482 28.724 29.700 -0.823 0.000 0.758 438 E HN 0.271 nan 8.360 nan 0.000 0.457 439 G N 1.391 110.025 108.800 -0.277 0.000 2.553 439 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.218 439 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.218 439 G C 1.518 176.333 174.900 -0.141 0.000 1.195 439 G CA 1.183 46.168 45.100 -0.193 0.000 0.779 439 G HN 0.354 nan 8.290 nan 0.000 0.577 440 L N 1.561 122.716 121.223 -0.114 0.000 2.043 440 L HA 0.020 4.360 4.340 -0.001 0.000 0.212 440 L C 3.104 179.954 176.870 -0.034 0.000 1.075 440 L CA 2.295 57.086 54.840 -0.082 0.000 0.752 440 L CB -0.940 41.073 42.059 -0.077 0.000 0.891 440 L HN 0.290 nan 8.230 nan 0.000 0.432 441 A N -0.486 122.334 122.820 0.000 0.000 1.865 441 A HA -0.219 4.101 4.320 -0.001 0.000 0.217 441 A C 2.360 180.028 177.584 0.141 0.000 1.191 441 A CA 1.777 53.892 52.037 0.130 0.000 0.623 441 A CB -0.571 18.634 19.000 0.342 0.000 0.826 441 A HN 0.466 nan 8.150 nan 0.000 0.444 442 R N -1.173 119.362 120.500 0.058 0.000 2.120 442 R HA -0.105 4.235 4.340 -0.001 0.000 0.234 442 R C 2.213 178.539 176.300 0.044 0.000 1.123 442 R CA 1.514 57.650 56.100 0.059 0.000 0.975 442 R CB -0.654 29.611 30.300 -0.058 0.000 0.866 442 R HN 0.753 nan 8.270 nan 0.000 0.446 443 M N 0.840 120.431 119.600 -0.015 0.000 2.132 443 M HA -0.133 4.346 4.480 -0.001 0.000 0.263 443 M C 1.607 177.887 176.300 -0.034 0.000 1.065 443 M CA 1.694 56.975 55.300 -0.032 0.000 1.122 443 M CB 0.050 32.592 32.600 -0.096 0.000 1.365 443 M HN 0.052 nan 8.290 nan 0.000 0.411 444 E N 0.311 120.480 120.200 -0.051 0.000 2.106 444 E HA -0.169 4.180 4.350 -0.001 0.000 0.192 444 E C 2.040 178.701 176.600 0.101 0.000 0.984 444 E CA 1.326 57.651 56.400 -0.125 0.000 0.806 444 E CB -0.183 29.578 29.700 0.102 0.000 0.750 444 E HN 0.547 nan 8.360 nan 0.000 0.458 445 L N 0.052 121.378 121.223 0.173 0.000 2.017 445 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 445 L C 2.469 179.437 176.870 0.163 0.000 1.073 445 L CA 1.102 56.061 54.840 0.199 0.000 0.745 445 L CB -0.416 41.748 42.059 0.176 0.000 0.894 445 L HN 0.138 nan 8.230 nan 0.000 0.432 446 F N 0.424 120.386 119.950 0.019 0.000 2.146 446 F HA -0.159 4.367 4.527 -0.001 0.000 0.298 446 F C 2.181 177.979 175.800 -0.005 0.000 1.096 446 F CA 1.340 59.339 58.000 -0.001 0.000 1.275 446 F CB -0.041 38.932 39.000 -0.045 0.000 1.008 446 F HN -0.151 nan 8.300 nan 0.000 0.480 447 L N -0.898 120.348 121.223 0.040 0.000 1.961 447 L HA -0.208 4.132 4.340 -0.001 0.000 0.209 447 L C 2.531 179.351 176.870 -0.084 0.000 1.075 447 L CA 1.373 56.156 54.840 -0.094 0.000 0.749 447 L CB -1.143 40.817 42.059 -0.165 0.000 0.890 447 L HN 0.074 nan 8.230 nan 0.000 0.433 448 F N 0.388 120.335 119.950 -0.004 0.000 2.087 448 F HA -0.287 4.240 4.527 -0.001 0.000 0.299 448 F C 2.509 178.298 175.800 -0.018 0.000 1.100 448 F CA 1.386 59.386 58.000 0.000 0.000 1.226 448 F CB -0.973 38.038 39.000 0.020 0.000 0.983 448 F HN -0.014 nan 8.300 nan 0.000 0.479 449 L N -0.531 120.787 121.223 0.159 0.000 2.056 449 L HA -0.210 4.130 4.340 -0.001 0.000 0.207 449 L C 2.558 179.418 176.870 -0.017 0.000 1.078 449 L CA 2.003 56.885 54.840 0.069 0.000 0.749 449 L CB -1.114 40.971 42.059 0.043 0.000 0.901 449 L HN 0.323 nan 8.230 nan 0.000 0.433 450 T N -5.125 109.321 114.554 -0.181 0.000 2.857 450 T HA -0.125 4.224 4.350 -0.001 0.000 0.266 450 T C 1.756 176.410 174.700 -0.076 0.000 1.048 450 T CA 1.420 63.394 62.100 -0.210 0.000 1.139 450 T CB -0.598 67.972 68.868 -0.497 0.000 0.874 450 T HN 0.155 nan 8.240 nan 0.000 0.455 451 T N 1.957 116.491 114.554 -0.034 0.000 2.833 451 T HA 0.153 4.502 4.350 -0.001 0.000 0.269 451 T C 1.848 176.602 174.700 0.091 0.000 1.054 451 T CA 0.892 63.014 62.100 0.036 0.000 1.135 451 T CB -0.364 68.552 68.868 0.081 0.000 0.869 451 T HN 0.378 nan 8.240 nan 0.000 0.466 452 I N 0.629 121.283 120.570 0.139 0.000 2.206 452 I HA -0.039 4.131 4.170 -0.001 0.000 0.239 452 I C 2.105 178.375 176.117 0.256 0.000 1.078 452 I CA 0.986 62.434 61.300 0.247 0.000 1.367 452 I CB -0.275 37.860 38.000 0.225 0.000 1.078 452 I HN 0.157 nan 8.210 nan 0.000 0.413 453 L N 0.600 121.925 121.223 0.170 0.000 2.349 453 L HA -0.251 4.088 4.340 -0.001 0.000 0.220 453 L C 2.466 179.386 176.870 0.084 0.000 1.130 453 L CA 1.221 56.146 54.840 0.142 0.000 0.791 453 L CB -0.681 41.435 42.059 0.096 0.000 0.918 453 L HN 0.496 nan 8.230 nan 0.000 0.444 454 Q N 0.345 120.170 119.800 0.043 0.000 2.163 454 Q HA -0.098 4.241 4.340 -0.001 0.000 0.198 454 Q C 1.537 177.495 176.000 -0.071 0.000 0.954 454 Q CA 0.974 56.769 55.803 -0.013 0.000 0.851 454 Q CB 0.287 29.010 28.738 -0.025 0.000 0.928 454 Q HN 0.607 nan 8.270 nan 0.000 0.459 455 N N -1.281 117.337 118.700 -0.136 0.000 2.282 455 N HA 0.119 4.858 4.740 -0.001 0.000 0.185 455 N C -0.743 174.344 175.510 -0.705 0.000 1.099 455 N CA 0.145 52.924 53.050 -0.451 0.000 0.878 455 N CB 0.740 38.832 38.487 -0.659 0.000 0.993 455 N HN 0.005 nan 8.380 nan 0.000 0.481 456 F N 0.051 120.049 119.950 0.079 0.000 2.643 456 F HA 0.414 4.941 4.527 -0.000 0.000 0.314 456 F C -0.204 175.659 175.800 0.105 0.000 1.096 456 F CA -1.048 57.023 58.000 0.119 0.000 0.953 456 F CB 1.204 40.342 39.000 0.228 0.000 1.345 456 F HN -0.282 nan 8.300 nan 0.000 0.468 457 N N 1.007 119.898 118.700 0.317 0.000 2.272 457 N HA 0.579 5.319 4.740 -0.001 0.000 0.305 457 N C -1.607 173.973 175.510 0.115 0.000 1.103 457 N CA -0.554 52.596 53.050 0.167 0.000 0.791 457 N CB 2.495 41.047 38.487 0.108 0.000 1.356 457 N HN 0.433 nan 8.380 nan 0.000 0.486 458 L N 1.465 122.708 121.223 0.034 0.000 2.264 458 L HA 0.437 4.777 4.340 -0.001 0.000 0.289 458 L C 0.443 177.258 176.870 -0.093 0.000 1.044 458 L CA -0.369 54.421 54.840 -0.084 0.000 0.807 458 L CB 0.874 42.874 42.059 -0.099 0.000 1.192 458 L HN 0.278 nan 8.230 nan 0.000 0.425 459 K N 2.247 122.567 120.400 -0.134 0.000 2.292 459 K HA 0.374 4.693 4.320 -0.001 0.000 0.257 459 K C -0.598 175.933 176.600 -0.114 0.000 0.940 459 K CA -0.414 55.816 56.287 -0.095 0.000 0.811 459 K CB 1.938 34.405 32.500 -0.055 0.000 1.120 459 K HN 0.498 nan 8.250 nan 0.000 0.428 460 S N 2.830 118.476 115.700 -0.089 0.000 2.523 460 S HA 0.095 4.564 4.470 -0.001 0.000 0.275 460 S C 1.275 175.843 174.600 -0.053 0.000 1.281 460 S CA -0.778 57.373 58.200 -0.081 0.000 1.050 460 S CB 0.982 64.134 63.200 -0.079 0.000 0.937 460 S HN 0.481 nan 8.310 nan 0.000 0.492 461 V N 4.019 123.908 119.914 -0.041 0.000 2.392 461 V HA -0.070 4.049 4.120 -0.001 0.000 0.249 461 V C 1.434 177.515 176.094 -0.021 0.000 1.059 461 V CA 2.028 64.312 62.300 -0.025 0.000 1.051 461 V CB -0.709 31.106 31.823 -0.013 0.000 0.658 461 V HN 0.838 nan 8.190 nan 0.000 0.455 462 D N -1.280 119.106 120.400 -0.023 0.000 2.489 462 D HA 0.159 4.798 4.640 -0.001 0.000 0.232 462 D C -0.398 175.885 176.300 -0.028 0.000 1.230 462 D CA -0.526 53.462 54.000 -0.021 0.000 1.101 462 D CB 0.578 41.368 40.800 -0.016 0.000 1.198 462 D HN 0.142 nan 8.370 nan 0.000 0.611 463 D N 0.456 120.840 120.400 -0.028 0.000 2.193 463 D HA 0.123 4.763 4.640 -0.001 0.000 0.244 463 D C 1.496 177.769 176.300 -0.045 0.000 1.064 463 D CA -0.280 53.700 54.000 -0.033 0.000 0.845 463 D CB 1.343 42.128 40.800 -0.025 0.000 1.148 463 D HN 0.336 nan 8.370 nan 0.000 0.464 464 L N 3.219 124.408 121.223 -0.057 0.000 2.081 464 L HA -0.231 4.109 4.340 -0.001 0.000 0.212 464 L C 2.323 179.148 176.870 -0.075 0.000 1.080 464 L CA 1.146 55.938 54.840 -0.080 0.000 0.754 464 L CB -0.474 41.528 42.059 -0.095 0.000 0.893 464 L HN 0.365 nan 8.230 nan 0.000 0.433 465 K N 0.697 121.063 120.400 -0.057 0.000 2.152 465 K HA -0.162 4.157 4.320 -0.001 0.000 0.206 465 K C 1.556 178.137 176.600 -0.033 0.000 1.048 465 K CA 1.360 57.620 56.287 -0.045 0.000 0.933 465 K CB -0.245 32.236 32.500 -0.031 0.000 0.721 465 K HN 0.225 nan 8.250 nan 0.000 0.447 466 N N 0.338 119.020 118.700 -0.030 0.000 2.461 466 N HA -0.039 4.700 4.740 -0.001 0.000 0.188 466 N C -0.605 174.893 175.510 -0.021 0.000 1.134 466 N CA 0.116 53.154 53.050 -0.019 0.000 0.878 466 N CB -0.036 38.442 38.487 -0.016 0.000 0.972 466 N HN 0.104 nan 8.380 nan 0.000 0.456 467 L N 1.545 122.745 121.223 -0.037 0.000 2.261 467 L HA 0.237 4.576 4.340 -0.001 0.000 0.289 467 L C -0.047 176.809 176.870 -0.024 0.000 1.059 467 L CA -0.464 54.349 54.840 -0.044 0.000 0.816 467 L CB 0.387 42.392 42.059 -0.091 0.000 1.191 467 L HN -0.058 nan 8.230 nan 0.000 0.431 468 N N 1.598 120.301 118.700 0.004 0.000 2.499 468 N HA 0.323 5.063 4.740 -0.001 0.000 0.281 468 N C 0.214 175.762 175.510 0.064 0.000 1.098 468 N CA 0.252 53.324 53.050 0.037 0.000 0.979 468 N CB 1.088 39.600 38.487 0.040 0.000 1.121 468 N HN 0.623 nan 8.380 nan 0.000 0.466 469 T N -1.369 113.262 114.554 0.128 0.000 3.296 469 T HA 0.225 4.575 4.350 -0.001 0.000 0.285 469 T C -0.268 174.631 174.700 0.332 0.000 1.014 469 T CA -0.511 61.734 62.100 0.241 0.000 0.920 469 T CB -0.602 68.430 68.868 0.274 0.000 1.143 469 T HN 0.326 nan 8.240 nan 0.000 0.522 470 T N 2.982 117.655 114.554 0.198 0.000 2.771 470 T HA 0.692 5.041 4.350 -0.001 0.000 0.291 470 T C 0.617 175.393 174.700 0.126 0.000 0.954 470 T CA -0.481 61.713 62.100 0.158 0.000 1.045 470 T CB 1.155 70.079 68.868 0.093 0.000 0.917 470 T HN 0.595 nan 8.240 nan 0.000 0.484 471 A N 2.598 125.509 122.820 0.150 0.000 2.366 471 A HA 0.546 4.866 4.320 -0.001 0.000 0.249 471 A C 0.473 178.082 177.584 0.041 0.000 1.084 471 A CA -0.621 51.482 52.037 0.110 0.000 0.794 471 A CB 0.235 19.350 19.000 0.192 0.000 1.034 471 A HN 0.936 nan 8.150 nan 0.000 0.491 472 V N 1.018 120.943 119.914 0.019 0.000 2.328 472 V HA 0.546 4.665 4.120 -0.001 0.000 0.278 472 V C 0.134 176.232 176.094 0.008 0.000 1.021 472 V CA 0.161 62.463 62.300 0.003 0.000 0.838 472 V CB 0.672 32.491 31.823 -0.007 0.000 0.999 472 V HN 0.753 nan 8.190 nan 0.000 0.447 473 T N 4.434 118.985 114.554 -0.005 0.000 3.287 473 T HA 0.205 4.554 4.350 -0.001 0.000 0.253 473 T C 0.831 175.513 174.700 -0.031 0.000 0.975 473 T CA -0.012 62.083 62.100 -0.009 0.000 0.912 473 T CB -0.429 68.427 68.868 -0.019 0.000 1.071 473 T HN 0.751 nan 8.240 nan 0.000 0.578 474 K N 2.479 122.859 120.400 -0.034 0.000 3.256 474 K HA 0.313 4.632 4.320 -0.001 0.000 0.285 474 K C 0.567 177.132 176.600 -0.059 0.000 1.086 474 K CA -0.254 56.001 56.287 -0.054 0.000 1.125 474 K CB -0.742 31.730 32.500 -0.048 0.000 1.292 474 K HN 0.594 nan 8.250 nan 0.000 0.312 475 G N 0.152 108.920 108.800 -0.053 0.000 2.337 475 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.298 475 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.298 475 G C -0.024 174.864 174.900 -0.020 0.000 1.335 475 G CA -0.845 44.224 45.100 -0.052 0.000 0.875 475 G HN 0.204 nan 8.290 nan 0.000 0.579 476 I N -0.632 119.932 120.570 -0.011 0.000 2.454 476 I HA 0.055 4.224 4.170 -0.001 0.000 0.254 476 I C 0.307 176.460 176.117 0.059 0.000 1.156 476 I CA 1.000 62.315 61.300 0.024 0.000 1.433 476 I CB -0.027 37.990 38.000 0.029 0.000 1.082 476 I HN 0.153 nan 8.210 nan 0.000 0.432 477 V N 1.344 121.312 119.914 0.089 0.000 2.313 477 V HA 0.184 4.304 4.120 -0.001 0.000 0.278 477 V C 0.268 176.440 176.094 0.131 0.000 1.017 477 V CA -0.485 61.904 62.300 0.149 0.000 0.823 477 V CB 0.990 32.997 31.823 0.307 0.000 1.010 477 V HN 0.193 nan 8.190 nan 0.000 0.443 478 S N 5.798 121.559 115.700 0.100 0.000 2.552 478 S HA 0.443 4.913 4.470 -0.001 0.000 0.289 478 S C -0.449 174.227 174.600 0.127 0.000 1.304 478 S CA 0.025 58.284 58.200 0.099 0.000 1.063 478 S CB 0.020 63.279 63.200 0.099 0.000 0.848 478 S HN 0.536 nan 8.310 nan 0.000 0.499 479 L N 6.529 127.806 121.223 0.089 0.000 2.381 479 L HA 0.574 4.914 4.340 -0.001 0.000 0.268 479 L C -2.100 174.705 176.870 -0.108 0.000 0.997 479 L CA -2.414 52.443 54.840 0.029 0.000 0.818 479 L CB 2.490 44.571 42.059 0.036 0.000 1.310 479 L HN 0.521 nan 8.230 nan 0.000 0.416 480 P HA 0.219 nan 4.420 nan 0.000 0.276 480 P C -2.704 174.421 177.300 -0.291 0.000 1.244 480 P CA -1.557 61.065 63.100 -0.798 0.000 0.801 480 P CB 0.218 31.040 31.700 -1.462 0.000 1.006 481 P HA -0.002 nan 4.420 nan 0.000 0.269 481 P C 0.146 177.448 177.300 0.002 0.000 1.215 481 P CA 0.137 63.215 63.100 -0.037 0.000 0.780 481 P CB 0.398 32.108 31.700 0.016 0.000 0.898 482 S N 1.637 117.323 115.700 -0.023 0.000 2.549 482 S HA 0.427 4.897 4.470 -0.001 0.000 0.279 482 S C -0.603 173.997 174.600 0.001 0.000 1.321 482 S CA -0.220 57.930 58.200 -0.083 0.000 1.054 482 S CB -0.709 62.443 63.200 -0.080 0.000 0.899 482 S HN 0.459 nan 8.310 nan 0.000 0.497 483 Y N 1.285 121.551 120.300 -0.056 0.000 2.744 483 Y HA 0.659 5.209 4.550 -0.001 0.000 0.330 483 Y C -1.054 174.816 175.900 -0.051 0.000 1.263 483 Y CA -1.209 56.859 58.100 -0.054 0.000 1.065 483 Y CB 0.683 39.106 38.460 -0.062 0.000 1.306 483 Y HN 0.460 nan 8.280 nan 0.000 0.459 484 Q N 1.556 121.495 119.800 0.232 0.000 2.394 484 Q HA 0.719 5.058 4.340 -0.001 0.000 0.273 484 Q C -1.646 174.454 176.000 0.166 0.000 1.089 484 Q CA -1.021 54.850 55.803 0.113 0.000 0.812 484 Q CB 3.574 32.332 28.738 0.033 0.000 1.353 484 Q HN 0.833 nan 8.270 nan 0.000 0.438 485 I N -0.144 120.448 120.570 0.037 0.000 3.006 485 I HA 0.411 4.580 4.170 -0.001 0.000 0.306 485 I C -1.549 174.415 176.117 -0.256 0.000 1.250 485 I CA -0.732 60.486 61.300 -0.136 0.000 0.996 485 I CB 2.095 39.964 38.000 -0.220 0.000 1.261 485 I HN 0.678 nan 8.210 nan 0.000 0.442 486 C N 5.410 124.528 119.300 -0.304 0.000 2.271 486 C HA 0.474 4.933 4.460 -0.001 0.000 0.323 486 C C -0.425 174.379 174.990 -0.310 0.000 1.245 486 C CA -0.485 58.404 59.018 -0.215 0.000 1.548 486 C CB -0.294 27.392 27.740 -0.091 0.000 2.214 486 C HN 0.437 nan 8.230 nan 0.000 0.477 487 F N 4.326 124.211 119.950 -0.108 0.000 2.405 487 F HA 0.379 4.905 4.527 -0.001 0.000 0.358 487 F C 0.705 176.507 175.800 0.004 0.000 1.151 487 F CA -0.073 57.808 58.000 -0.199 0.000 1.161 487 F CB 0.203 38.812 39.000 -0.652 0.000 1.245 487 F HN 0.395 nan 8.300 nan 0.000 0.545 488 I N 6.584 127.309 120.570 0.259 0.000 2.291 488 I HA 0.195 4.365 4.170 -0.001 0.000 0.292 488 I C -2.004 174.357 176.117 0.406 0.000 1.064 488 I CA -2.231 59.234 61.300 0.275 0.000 1.269 488 I CB 0.632 38.717 38.000 0.142 0.000 1.418 488 I HN 0.254 nan 8.210 nan 0.000 0.485 489 P HA -0.021 nan 4.420 nan 0.000 0.263 489 P C 0.229 177.564 177.300 0.058 0.000 1.195 489 P CA 0.045 63.243 63.100 0.164 0.000 0.762 489 P CB 0.635 32.400 31.700 0.108 0.000 0.799 490 V N 0.000 119.903 119.914 -0.019 0.000 2.409 490 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 490 V CA 0.000 62.298 62.300 -0.004 0.000 1.235 490 V CB 0.000 31.808 31.823 -0.025 0.000 1.184 490 V HN 0.000 nan 8.190 nan 0.000 0.556