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 1nw1_1_A DATA FIRST_RESID 32 DATA SEQUENCE GMKELLSTMD LDTDANTIPE LKERAHMLCA RFLGGAWKTV PLEHLRISRI DATA SEQUENCE KGGMSNMLFL CRLSEVYPPI RNEPNKVLLR VYFNPETESH LVAESVIFTL DATA SEQUENCE LSERHLGPKL YGIFSGGRLE EYIPSRPLSC HEISLAHMST KIAKRVAKVH DATA SEQUENCE QLEVPIWKEP DYLCEALQRW LKQLTGTVDA EHRFDLPEEC GVSSVNCLDL DATA SEQUENCE ARELEFLRAH ISLSKSPVTF CHNDLQEGNI LLPKXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXRLVLID FEYASYNYRA FDFANHFIEW TIDYDIDEAP DATA SEQUENCE FYKIQTENFP ENDQMLEFFL NYLREQGNTR ENELYKKSED LVQETLPFVP DATA SEQUENCE VSHFFWGVWG LLQVELSPVG FGFADYGRDR LSLYFKHKQL LKNLA 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 32 G HA2 0.000 nan 3.960 nan 0.000 0.244 32 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 32 G C 0.000 174.943 174.900 0.071 0.000 0.946 32 G CA 0.000 45.135 45.100 0.057 0.000 0.502 33 M N 0.914 120.569 119.600 0.092 0.000 2.106 33 M HA 0.072 4.552 4.480 0.000 0.000 0.259 33 M C 2.200 178.600 176.300 0.166 0.000 1.068 33 M CA 2.534 57.903 55.300 0.116 0.000 1.100 33 M CB -0.258 32.429 32.600 0.144 0.000 1.351 33 M HN 0.407 nan 8.290 nan 0.000 0.404 34 K N -0.069 120.449 120.400 0.196 0.000 2.057 34 K HA -0.157 4.163 4.320 0.000 0.000 0.206 34 K C 1.742 178.397 176.600 0.091 0.000 1.050 34 K CA 1.558 57.968 56.287 0.207 0.000 0.935 34 K CB -0.323 32.304 32.500 0.212 0.000 0.715 34 K HN 0.399 nan 8.250 nan 0.000 0.439 35 E N 1.078 121.320 120.200 0.069 0.000 2.110 35 E HA -0.179 4.171 4.350 0.000 0.000 0.193 35 E C 2.009 178.630 176.600 0.036 0.000 0.988 35 E CA 0.674 57.097 56.400 0.038 0.000 0.804 35 E CB -0.376 29.344 29.700 0.033 0.000 0.745 35 E HN 0.225 nan 8.360 nan 0.000 0.458 36 L N 0.606 121.857 121.223 0.047 0.000 2.056 36 L HA -0.088 4.253 4.340 0.000 0.000 0.207 36 L C 2.163 179.063 176.870 0.050 0.000 1.078 36 L CA 1.356 56.218 54.840 0.037 0.000 0.749 36 L CB -0.435 41.640 42.059 0.027 0.000 0.901 36 L HN 0.045 nan 8.230 nan 0.000 0.433 37 L N -0.584 120.690 121.223 0.084 0.000 2.156 37 L HA -0.117 4.223 4.340 0.000 0.000 0.208 37 L C 2.555 179.459 176.870 0.056 0.000 1.095 37 L CA 1.130 56.038 54.840 0.113 0.000 0.770 37 L CB -0.804 41.375 42.059 0.201 0.000 0.914 37 L HN 0.472 nan 8.230 nan 0.000 0.439 38 S N -1.289 114.422 115.700 0.018 0.000 2.469 38 S HA -0.150 4.320 4.470 0.000 0.000 0.238 38 S C 1.883 176.489 174.600 0.010 0.000 0.998 38 S CA 1.276 59.471 58.200 -0.008 0.000 0.957 38 S CB -0.810 62.378 63.200 -0.021 0.000 0.764 38 S HN 0.587 nan 8.310 nan 0.000 0.514 39 T N -1.157 113.410 114.554 0.021 0.000 3.100 39 T HA 0.363 4.713 4.350 0.000 0.000 0.253 39 T C 0.592 175.308 174.700 0.027 0.000 1.118 39 T CA -0.163 61.949 62.100 0.020 0.000 1.058 39 T CB -0.418 68.461 68.868 0.018 0.000 0.953 39 T HN 0.337 nan 8.240 nan 0.000 0.515 40 M N 2.175 121.799 119.600 0.040 0.000 2.494 40 M HA 0.567 5.047 4.480 0.000 0.000 0.300 40 M C -0.459 175.864 176.300 0.037 0.000 1.189 40 M CA -0.850 54.481 55.300 0.051 0.000 0.982 40 M CB 1.372 34.029 32.600 0.095 0.000 1.534 40 M HN 0.325 nan 8.290 nan 0.000 0.488 41 D N -0.769 119.651 120.400 0.032 0.000 2.744 41 D HA 0.466 5.106 4.640 0.000 0.000 0.304 41 D C 0.496 176.795 176.300 -0.002 0.000 1.179 41 D CA -0.749 53.254 54.000 0.005 0.000 1.024 41 D CB 0.380 41.179 40.800 -0.000 0.000 1.453 41 D HN 0.349 nan 8.370 nan 0.000 0.529 42 L N -0.390 120.811 121.223 -0.036 0.000 2.265 42 L HA 0.083 4.423 4.340 0.000 0.000 0.215 42 L C 1.476 178.338 176.870 -0.013 0.000 1.117 42 L CA 2.165 56.980 54.840 -0.042 0.000 0.782 42 L CB -1.218 40.791 42.059 -0.084 0.000 0.914 42 L HN 0.484 nan 8.230 nan 0.000 0.441 43 D N -1.185 119.214 120.400 -0.002 0.000 2.340 43 D HA 0.156 4.797 4.640 0.000 0.000 0.217 43 D C 0.477 176.789 176.300 0.020 0.000 1.081 43 D CA 0.497 54.503 54.000 0.009 0.000 0.842 43 D CB 0.053 40.858 40.800 0.009 0.000 0.934 43 D HN 0.542 nan 8.370 nan 0.000 0.511 44 T N 0.933 115.504 114.554 0.029 0.000 2.869 44 T HA 0.065 4.415 4.350 0.000 0.000 0.295 44 T C 0.032 174.764 174.700 0.052 0.000 0.987 44 T CA -0.453 61.671 62.100 0.040 0.000 1.109 44 T CB 1.743 70.643 68.868 0.053 0.000 0.932 44 T HN -0.113 nan 8.240 nan 0.000 0.518 45 D N 1.902 122.327 120.400 0.042 0.000 2.365 45 D HA 0.327 4.967 4.640 0.000 0.000 0.237 45 D C 1.184 177.515 176.300 0.052 0.000 1.190 45 D CA -0.573 53.454 54.000 0.044 0.000 0.867 45 D CB 1.031 41.847 40.800 0.026 0.000 1.050 45 D HN 0.533 nan 8.370 nan 0.000 0.491 46 A N 4.977 127.850 122.820 0.088 0.000 1.958 46 A HA -0.268 4.052 4.320 0.000 0.000 0.221 46 A C 1.886 179.477 177.584 0.011 0.000 1.178 46 A CA 1.229 53.311 52.037 0.076 0.000 0.642 46 A CB -0.343 18.756 19.000 0.165 0.000 0.816 46 A HN 0.655 nan 8.150 nan 0.000 0.453 47 N N -0.399 118.312 118.700 0.018 0.000 2.443 47 N HA -0.103 4.637 4.740 0.000 0.000 0.184 47 N C 1.521 177.024 175.510 -0.012 0.000 1.037 47 N CA 1.717 54.765 53.050 -0.003 0.000 0.896 47 N CB -0.324 38.162 38.487 -0.001 0.000 0.959 47 N HN 0.763 nan 8.380 nan 0.000 0.442 48 T N -2.315 112.235 114.554 -0.005 0.000 3.107 48 T HA 0.191 4.542 4.350 0.000 0.000 0.249 48 T C 0.613 175.305 174.700 -0.014 0.000 1.096 48 T CA -0.130 61.965 62.100 -0.009 0.000 1.012 48 T CB 0.095 68.963 68.868 -0.001 0.000 0.977 48 T HN -0.134 nan 8.240 nan 0.000 0.527 49 I N 4.028 124.585 120.570 -0.022 0.000 2.361 49 I HA 0.299 4.469 4.170 0.000 0.000 0.282 49 I C -1.476 174.613 176.117 -0.046 0.000 1.075 49 I CA -3.152 58.130 61.300 -0.031 0.000 1.205 49 I CB 0.881 38.860 38.000 -0.036 0.000 1.406 49 I HN -0.024 nan 8.210 nan 0.000 0.481 50 P HA -0.224 nan 4.420 nan 0.000 0.216 50 P C 1.263 178.534 177.300 -0.048 0.000 1.153 50 P CA 1.401 64.476 63.100 -0.042 0.000 0.858 50 P CB 0.601 32.280 31.700 -0.036 0.000 0.789 51 E N -0.747 119.426 120.200 -0.044 0.000 2.153 51 E HA -0.166 4.185 4.350 0.000 0.000 0.194 51 E C 2.035 178.596 176.600 -0.064 0.000 0.988 51 E CA 0.489 56.862 56.400 -0.045 0.000 0.811 51 E CB -0.346 29.335 29.700 -0.032 0.000 0.746 51 E HN 0.030 nan 8.360 nan 0.000 0.466 52 L N 1.411 122.580 121.223 -0.090 0.000 2.056 52 L HA -0.133 4.207 4.340 0.000 0.000 0.207 52 L C 1.873 178.656 176.870 -0.146 0.000 1.078 52 L CA 1.777 56.522 54.840 -0.160 0.000 0.749 52 L CB -0.200 41.714 42.059 -0.241 0.000 0.901 52 L HN -0.068 nan 8.230 nan 0.000 0.433 53 K N -0.434 119.910 120.400 -0.094 0.000 2.097 53 K HA -0.146 4.174 4.320 0.000 0.000 0.205 53 K C 1.911 178.513 176.600 0.004 0.000 1.050 53 K CA 1.628 57.890 56.287 -0.042 0.000 0.938 53 K CB -0.127 32.357 32.500 -0.026 0.000 0.718 53 K HN 0.502 nan 8.250 nan 0.000 0.442 54 E N 0.657 120.842 120.200 -0.025 0.000 2.072 54 E HA -0.150 4.201 4.350 0.000 0.000 0.191 54 E C 2.155 178.761 176.600 0.009 0.000 0.985 54 E CA 0.918 57.308 56.400 -0.017 0.000 0.801 54 E CB -0.005 29.667 29.700 -0.047 0.000 0.750 54 E HN 0.231 nan 8.360 nan 0.000 0.452 55 R N 0.598 121.079 120.500 -0.031 0.000 2.081 55 R HA -0.082 4.258 4.340 0.000 0.000 0.235 55 R C 2.412 178.676 176.300 -0.059 0.000 1.131 55 R CA 1.163 57.233 56.100 -0.051 0.000 0.960 55 R CB -0.315 29.940 30.300 -0.075 0.000 0.856 55 R HN 0.103 nan 8.270 nan 0.000 0.436 56 A N 0.774 123.557 122.820 -0.061 0.000 1.902 56 A HA -0.218 4.102 4.320 0.000 0.000 0.217 56 A C 2.038 179.628 177.584 0.011 0.000 1.181 56 A CA 1.437 53.439 52.037 -0.057 0.000 0.623 56 A CB -0.795 18.167 19.000 -0.064 0.000 0.818 56 A HN 0.369 nan 8.150 nan 0.000 0.443 57 H N -0.725 118.339 119.070 -0.011 0.000 2.352 57 H HA -0.135 4.422 4.556 0.000 0.000 0.299 57 H C 2.020 177.362 175.328 0.022 0.000 1.097 57 H CA 2.044 58.118 56.048 0.043 0.000 1.311 57 H CB -0.223 29.551 29.762 0.021 0.000 1.377 57 H HN 0.410 nan 8.280 nan 0.000 0.504 58 M N 0.671 120.368 119.600 0.161 0.000 2.086 58 M HA -0.149 4.331 4.480 0.000 0.000 0.261 58 M C 2.360 178.656 176.300 -0.008 0.000 1.067 58 M CA 1.259 56.606 55.300 0.079 0.000 1.116 58 M CB -0.790 31.825 32.600 0.025 0.000 1.348 58 M HN 0.307 nan 8.290 nan 0.000 0.407 59 L N -0.220 120.973 121.223 -0.050 0.000 2.012 59 L HA -0.303 4.037 4.340 0.000 0.000 0.210 59 L C 2.671 179.553 176.870 0.021 0.000 1.073 59 L CA 1.501 56.322 54.840 -0.032 0.000 0.748 59 L CB -0.891 41.041 42.059 -0.210 0.000 0.891 59 L HN 0.407 nan 8.230 nan 0.000 0.431 60 C N -0.557 118.669 119.300 -0.123 0.000 2.446 60 C HA -0.109 4.351 4.460 0.000 0.000 0.277 60 C C 3.132 178.015 174.990 -0.178 0.000 1.275 60 C CA 0.514 59.343 59.018 -0.314 0.000 1.727 60 C CB -1.102 26.322 27.740 -0.527 0.000 2.010 60 C HN 0.621 nan 8.230 nan 0.000 0.486 61 A N 0.945 123.724 122.820 -0.068 0.000 1.865 61 A HA -0.173 4.147 4.320 0.000 0.000 0.217 61 A C 2.255 179.820 177.584 -0.031 0.000 1.191 61 A CA 1.477 53.513 52.037 -0.003 0.000 0.623 61 A CB -0.456 18.555 19.000 0.018 0.000 0.826 61 A HN 0.523 nan 8.150 nan 0.000 0.444 62 R N -1.463 118.987 120.500 -0.084 0.000 2.096 62 R HA -0.052 4.288 4.340 0.000 0.000 0.235 62 R C 1.615 177.721 176.300 -0.323 0.000 1.127 62 R CA 1.304 57.273 56.100 -0.220 0.000 0.968 62 R CB -0.833 29.267 30.300 -0.332 0.000 0.861 62 R HN 0.629 nan 8.270 nan 0.000 0.440 63 F N -0.481 119.428 119.950 -0.068 0.000 2.582 63 F HA 0.170 4.697 4.527 0.000 0.000 0.290 63 F C 2.035 177.792 175.800 -0.072 0.000 1.115 63 F CA 0.449 58.423 58.000 -0.044 0.000 1.445 63 F CB 0.107 39.091 39.000 -0.027 0.000 1.126 63 F HN -0.156 nan 8.300 nan 0.000 0.574 64 L N -1.667 119.552 121.223 -0.007 0.000 2.537 64 L HA 0.426 4.767 4.340 0.000 0.000 0.224 64 L C 1.504 178.397 176.870 0.038 0.000 1.065 64 L CA 0.367 55.151 54.840 -0.093 0.000 0.860 64 L CB -0.719 41.050 42.059 -0.483 0.000 1.086 64 L HN 0.191 nan 8.230 nan 0.000 0.482 65 G N 0.401 109.238 108.800 0.062 0.000 2.601 65 G HA2 -0.037 3.923 3.960 0.000 0.000 0.261 65 G HA3 -0.037 3.923 3.960 0.000 0.000 0.261 65 G C 0.610 175.615 174.900 0.174 0.000 1.289 65 G CA -0.052 45.107 45.100 0.098 0.000 0.920 65 G HN 0.797 nan 8.290 nan 0.000 0.571 66 G N -1.342 107.528 108.800 0.117 0.000 2.596 66 G HA2 0.127 4.088 3.960 0.000 0.000 0.295 66 G HA3 0.127 4.088 3.960 0.000 0.000 0.295 66 G C 1.777 176.724 174.900 0.079 0.000 1.240 66 G CA 2.504 47.666 45.100 0.102 0.000 0.985 66 G HN 2.539 nan 8.290 nan 0.000 0.555 67 A N -1.240 121.591 122.820 0.018 0.000 2.024 67 A HA 0.014 4.334 4.320 0.000 0.000 0.220 67 A C 2.107 179.607 177.584 -0.140 0.000 1.164 67 A CA 2.288 54.278 52.037 -0.079 0.000 0.643 67 A CB -0.650 18.244 19.000 -0.177 0.000 0.806 67 A HN 0.881 nan 8.150 nan 0.000 0.451 68 W N 0.259 121.516 121.300 -0.072 0.000 2.421 68 W HA -0.067 4.594 4.660 0.000 0.000 0.270 68 W C 2.159 178.551 176.519 -0.211 0.000 1.233 68 W CA 1.327 58.571 57.345 -0.169 0.000 1.226 68 W CB 0.005 29.362 29.460 -0.171 0.000 1.121 68 W HN 0.272 nan 8.180 nan 0.000 0.579 69 K N -0.723 119.736 120.400 0.100 0.000 2.103 69 K HA -0.064 4.256 4.320 0.000 0.000 0.204 69 K C 1.768 178.448 176.600 0.134 0.000 1.052 69 K CA 1.799 58.143 56.287 0.095 0.000 0.945 69 K CB -0.432 32.115 32.500 0.079 0.000 0.722 69 K HN 0.197 nan 8.250 nan 0.000 0.443 70 T N -2.194 112.408 114.554 0.081 0.000 3.044 70 T HA 0.143 4.494 4.350 0.000 0.000 0.260 70 T C 0.475 175.173 174.700 -0.003 0.000 1.019 70 T CA -0.484 61.657 62.100 0.069 0.000 0.921 70 T CB 0.179 69.078 68.868 0.053 0.000 1.053 70 T HN -0.082 nan 8.240 nan 0.000 0.533 71 V N 4.138 124.019 119.914 -0.055 0.000 2.557 71 V HA 0.249 4.369 4.120 0.000 0.000 0.301 71 V C -2.390 173.599 176.094 -0.174 0.000 1.026 71 V CA -1.707 60.406 62.300 -0.310 0.000 1.137 71 V CB 0.532 32.176 31.823 -0.299 0.000 0.917 71 V HN 0.220 nan 8.190 nan 0.000 0.484 72 P HA 0.130 nan 4.420 nan 0.000 0.269 72 P C 0.924 178.179 177.300 -0.075 0.000 1.209 72 P CA 0.001 62.991 63.100 -0.182 0.000 0.776 72 P CB 0.555 32.173 31.700 -0.137 0.000 0.876 73 L N 1.753 122.932 121.223 -0.074 0.000 2.129 73 L HA -0.291 4.049 4.340 0.000 0.000 0.212 73 L C 2.706 179.553 176.870 -0.039 0.000 1.087 73 L CA 2.337 57.158 54.840 -0.032 0.000 0.757 73 L CB -1.233 40.774 42.059 -0.087 0.000 0.896 73 L HN 0.474 nan 8.230 nan 0.000 0.434 74 E N -1.041 119.112 120.200 -0.078 0.000 2.204 74 E HA -0.219 4.131 4.350 0.000 0.000 0.195 74 E C 1.778 178.218 176.600 -0.266 0.000 0.990 74 E CA 1.328 57.634 56.400 -0.158 0.000 0.821 74 E CB -0.728 28.863 29.700 -0.183 0.000 0.750 74 E HN 0.621 nan 8.360 nan 0.000 0.477 75 H N -1.887 117.126 119.070 -0.094 0.000 2.529 75 H HA 0.273 4.829 4.556 0.000 0.000 0.277 75 H C -0.217 175.055 175.328 -0.094 0.000 1.004 75 H CA -0.174 55.822 56.048 -0.086 0.000 1.167 75 H CB 0.561 30.229 29.762 -0.157 0.000 1.445 75 H HN 0.306 nan 8.280 nan 0.000 0.554 76 L N 1.925 123.153 121.223 0.008 0.000 2.262 76 L HA 0.311 4.651 4.340 0.000 0.000 0.288 76 L C -0.200 176.689 176.870 0.031 0.000 1.035 76 L CA -0.489 54.368 54.840 0.029 0.000 0.820 76 L CB 0.719 42.847 42.059 0.114 0.000 1.204 76 L HN -0.105 nan 8.230 nan 0.000 0.424 77 R N 5.788 126.310 120.500 0.036 0.000 2.407 77 R HA 0.712 5.053 4.340 0.000 0.000 0.303 77 R C -1.006 175.329 176.300 0.059 0.000 0.981 77 R CA -0.504 55.615 56.100 0.031 0.000 0.905 77 R CB 1.604 31.916 30.300 0.019 0.000 1.099 77 R HN 0.615 nan 8.270 nan 0.000 0.459 78 I N 1.087 121.686 120.570 0.049 0.000 2.499 78 I HA 0.295 4.465 4.170 0.000 0.000 0.288 78 I C -0.596 175.577 176.117 0.095 0.000 1.048 78 I CA -0.508 60.836 61.300 0.073 0.000 1.062 78 I CB 2.375 40.394 38.000 0.032 0.000 1.238 78 I HN 0.514 nan 8.210 nan 0.000 0.426 79 S N 4.249 120.022 115.700 0.123 0.000 2.521 79 S HA 0.515 4.985 4.470 0.000 0.000 0.295 79 S C -0.500 174.197 174.600 0.162 0.000 1.098 79 S CA -0.667 57.599 58.200 0.111 0.000 0.999 79 S CB 1.995 65.213 63.200 0.031 0.000 1.034 79 S HN 0.526 nan 8.310 nan 0.000 0.483 80 R N 2.707 123.293 120.500 0.144 0.000 2.442 80 R HA 0.336 4.676 4.340 0.000 0.000 0.291 80 R C -0.784 175.471 176.300 -0.074 0.000 1.069 80 R CA 0.139 56.224 56.100 -0.026 0.000 1.022 80 R CB -0.042 30.245 30.300 -0.022 0.000 0.976 80 R HN 0.482 nan 8.270 nan 0.000 0.443 81 I N 4.004 124.486 120.570 -0.146 0.000 2.441 81 I HA 0.281 4.451 4.170 0.000 0.000 0.295 81 I C 0.258 176.319 176.117 -0.092 0.000 0.994 81 I CA -0.898 60.363 61.300 -0.066 0.000 1.144 81 I CB 1.603 39.602 38.000 -0.002 0.000 1.314 81 I HN 0.670 nan 8.210 nan 0.000 0.445 82 K N 3.350 123.723 120.400 -0.046 0.000 2.401 82 K HA 0.470 4.790 4.320 0.000 0.000 0.278 82 K C 0.068 176.634 176.600 -0.056 0.000 1.018 82 K CA 0.107 56.362 56.287 -0.054 0.000 0.981 82 K CB 0.759 33.246 32.500 -0.022 0.000 0.933 82 K HN 0.942 nan 8.250 nan 0.000 0.477 83 G N 1.619 110.368 108.800 -0.085 0.000 2.721 83 G HA2 0.495 4.455 3.960 0.000 0.000 0.296 83 G HA3 0.495 4.455 3.960 0.000 0.000 0.296 83 G C -0.596 174.224 174.900 -0.133 0.000 1.383 83 G CA -0.700 44.345 45.100 -0.091 0.000 0.788 83 G HN 0.763 nan 8.290 nan 0.000 0.500 84 G N -0.492 108.215 108.800 -0.156 0.000 2.667 84 G HA2 0.430 4.390 3.960 0.000 0.000 0.250 84 G HA3 0.430 4.390 3.960 0.000 0.000 0.250 84 G C 1.289 176.034 174.900 -0.259 0.000 1.212 84 G CA 0.219 45.153 45.100 -0.276 0.000 0.874 84 G HN 0.888 nan 8.290 nan 0.000 0.561 85 M N -0.014 119.328 119.600 -0.430 0.000 2.630 85 M HA 0.077 4.557 4.480 0.000 0.000 0.254 85 M C 1.468 177.883 176.300 0.191 0.000 1.092 85 M CA 1.322 56.461 55.300 -0.269 0.000 1.087 85 M CB -0.719 31.369 32.600 -0.853 0.000 1.453 85 M HN 0.258 nan 8.290 nan 0.000 0.509 86 S N 2.140 117.956 115.700 0.192 0.000 2.489 86 S HA 0.066 4.536 4.470 0.000 0.000 0.228 86 S C 0.533 175.303 174.600 0.283 0.000 0.995 86 S CA 0.462 58.950 58.200 0.480 0.000 0.934 86 S CB -0.304 63.204 63.200 0.513 0.000 0.771 86 S HN 0.860 nan 8.310 nan 0.000 0.522 87 N N -0.965 117.758 118.700 0.038 0.000 2.708 87 N HA 0.427 5.167 4.740 0.000 0.000 0.257 87 N C -1.605 173.848 175.510 -0.096 0.000 1.373 87 N CA -0.827 52.083 53.050 -0.233 0.000 0.843 87 N CB 1.030 38.973 38.487 -0.907 0.000 1.503 87 N HN -0.057 nan 8.380 nan 0.000 0.504 88 M N 1.703 121.244 119.600 -0.100 0.000 2.294 88 M HA 0.433 4.913 4.480 0.000 0.000 0.335 88 M C -1.250 174.853 176.300 -0.328 0.000 1.079 88 M CA -0.666 54.546 55.300 -0.146 0.000 0.982 88 M CB 1.851 34.495 32.600 0.072 0.000 1.651 88 M HN 0.380 nan 8.290 nan 0.000 0.437 89 L N 3.481 124.418 121.223 -0.476 0.000 2.329 89 L HA 0.670 5.010 4.340 0.000 0.000 0.279 89 L C -1.399 175.109 176.870 -0.603 0.000 1.014 89 L CA -0.561 54.055 54.840 -0.372 0.000 0.814 89 L CB 1.438 43.385 42.059 -0.187 0.000 1.257 89 L HN 0.552 nan 8.230 nan 0.000 0.424 90 F N 3.012 122.969 119.950 0.012 0.000 2.562 90 F HA 0.384 4.911 4.527 0.000 0.000 0.319 90 F C -0.381 175.414 175.800 -0.007 0.000 1.154 90 F CA -0.598 57.407 58.000 0.007 0.000 0.931 90 F CB 1.888 40.898 39.000 0.016 0.000 1.198 90 F HN 0.173 nan 8.300 nan 0.000 0.444 91 L N 4.524 125.818 121.223 0.118 0.000 2.260 91 L HA 0.557 4.897 4.340 0.000 0.000 0.289 91 L C -0.802 176.102 176.870 0.056 0.000 1.057 91 L CA -0.214 54.624 54.840 -0.004 0.000 0.811 91 L CB 0.118 42.040 42.059 -0.228 0.000 1.184 91 L HN 0.707 nan 8.230 nan 0.000 0.429 92 C N 6.037 125.387 119.300 0.084 0.000 2.319 92 C HA 0.818 5.278 4.460 0.000 0.000 0.335 92 C C 0.025 175.199 174.990 0.307 0.000 1.274 92 C CA -0.791 58.328 59.018 0.168 0.000 1.806 92 C CB 0.515 28.331 27.740 0.127 0.000 2.329 92 C HN 0.902 nan 8.230 nan 0.000 0.524 93 R N 2.598 123.264 120.500 0.277 0.000 2.698 93 R HA 0.746 5.086 4.340 0.000 0.000 0.275 93 R C -1.899 174.380 176.300 -0.035 0.000 1.001 93 R CA -0.758 55.463 56.100 0.202 0.000 0.896 93 R CB 0.889 31.239 30.300 0.083 0.000 1.218 93 R HN 0.578 nan 8.270 nan 0.000 0.462 94 L N 2.288 123.354 121.223 -0.262 0.000 2.326 94 L HA 0.274 4.614 4.340 0.000 0.000 0.278 94 L C 0.952 177.762 176.870 -0.101 0.000 1.092 94 L CA -0.625 54.001 54.840 -0.357 0.000 0.810 94 L CB 1.639 43.339 42.059 -0.598 0.000 1.153 94 L HN 0.912 nan 8.230 nan 0.000 0.439 95 S N 1.477 117.188 115.700 0.018 0.000 2.606 95 S HA 0.006 4.476 4.470 0.000 0.000 0.257 95 S C 1.066 175.704 174.600 0.064 0.000 1.327 95 S CA -0.342 57.919 58.200 0.102 0.000 0.984 95 S CB 0.700 64.082 63.200 0.303 0.000 0.941 95 S HN 0.748 nan 8.310 nan 0.000 0.576 96 E N 0.190 120.423 120.200 0.055 0.000 2.418 96 E HA -0.067 4.284 4.350 0.000 0.000 0.197 96 E C 1.549 178.126 176.600 -0.038 0.000 1.026 96 E CA 0.699 57.103 56.400 0.006 0.000 0.862 96 E CB -0.803 28.901 29.700 0.007 0.000 0.799 96 E HN 0.457 nan 8.360 nan 0.000 0.518 97 V N -0.161 119.741 119.914 -0.021 0.000 2.719 97 V HA -0.126 3.995 4.120 0.000 0.000 0.252 97 V C 0.431 176.217 176.094 -0.513 0.000 1.065 97 V CA 1.043 63.199 62.300 -0.239 0.000 1.086 97 V CB -0.685 30.973 31.823 -0.275 0.000 0.700 97 V HN 0.168 nan 8.190 nan 0.000 0.467 98 Y N 1.313 121.493 120.300 -0.201 0.000 2.747 98 Y HA 0.414 4.964 4.550 0.000 0.000 0.362 98 Y C -2.221 173.552 175.900 -0.211 0.000 1.026 98 Y CA -3.190 54.782 58.100 -0.212 0.000 1.135 98 Y CB 0.233 38.548 38.460 -0.242 0.000 1.175 98 Y HN 0.190 nan 8.280 nan 0.000 0.643 99 P HA 0.176 nan 4.420 nan 0.000 0.274 99 P C -2.631 174.613 177.300 -0.094 0.000 1.246 99 P CA -1.677 61.367 63.100 -0.093 0.000 0.795 99 P CB 0.747 32.404 31.700 -0.072 0.000 1.006 100 P HA 0.070 nan 4.420 nan 0.000 0.265 100 P C 0.801 178.093 177.300 -0.014 0.000 1.193 100 P CA 0.370 63.449 63.100 -0.036 0.000 0.765 100 P CB -0.018 31.694 31.700 0.020 0.000 0.823 101 I N -0.340 120.230 120.570 -0.001 0.000 3.860 101 I HA 0.309 4.479 4.170 0.000 0.000 0.319 101 I C 0.898 177.028 176.117 0.022 0.000 1.279 101 I CA 0.315 61.617 61.300 0.004 0.000 1.220 101 I CB 0.098 38.101 38.000 0.005 0.000 1.027 101 I HN 0.202 nan 8.210 nan 0.000 0.428 102 R N 0.511 121.034 120.500 0.039 0.000 2.905 102 R HA 0.386 4.726 4.340 0.000 0.000 0.095 102 R C 0.160 176.497 176.300 0.062 0.000 0.614 102 R CA -0.510 55.619 56.100 0.048 0.000 0.416 102 R CB 0.210 30.543 30.300 0.055 0.000 0.410 102 R HN 0.016 nan 8.270 nan 0.000 0.325 103 N N 2.023 120.770 118.700 0.077 0.000 2.235 103 N HA -0.004 4.736 4.740 0.000 0.000 0.209 103 N C -0.749 174.832 175.510 0.119 0.000 1.122 103 N CA 0.181 53.287 53.050 0.093 0.000 0.845 103 N CB 0.509 39.050 38.487 0.091 0.000 1.004 103 N HN 0.382 nan 8.380 nan 0.000 0.499 104 E N 2.412 122.687 120.200 0.124 0.000 2.366 104 E HA 0.205 4.556 4.350 0.000 0.000 0.266 104 E C -2.468 174.233 176.600 0.169 0.000 1.051 104 E CA -1.475 55.013 56.400 0.146 0.000 0.884 104 E CB 0.742 30.583 29.700 0.235 0.000 1.006 104 E HN 0.004 nan 8.360 nan 0.000 0.417 105 P HA 0.032 nan 4.420 nan 0.000 0.274 105 P C -0.084 177.412 177.300 0.326 0.000 1.246 105 P CA -0.262 62.937 63.100 0.164 0.000 0.795 105 P CB 0.438 32.159 31.700 0.034 0.000 1.006 106 N N 0.002 118.843 118.700 0.235 0.000 2.398 106 N HA -0.006 4.734 4.740 0.000 0.000 0.188 106 N C 0.067 175.764 175.510 0.312 0.000 1.122 106 N CA 0.176 53.329 53.050 0.172 0.000 0.866 106 N CB -0.139 38.388 38.487 0.067 0.000 0.970 106 N HN 0.473 nan 8.380 nan 0.000 0.462 107 K N -1.977 118.663 120.400 0.401 0.000 2.568 107 K HA 0.640 4.960 4.320 0.000 0.000 0.273 107 K C -1.966 174.746 176.600 0.186 0.000 0.951 107 K CA -1.092 55.413 56.287 0.363 0.000 0.854 107 K CB 2.033 34.645 32.500 0.186 0.000 1.424 107 K HN -0.160 nan 8.250 nan 0.000 0.427 108 V N 1.995 121.948 119.914 0.066 0.000 3.120 108 V HA 0.491 4.612 4.120 0.000 0.000 0.303 108 V C -1.949 174.167 176.094 0.038 0.000 1.238 108 V CA -0.987 61.306 62.300 -0.013 0.000 1.008 108 V CB 2.191 33.826 31.823 -0.313 0.000 1.064 108 V HN 0.778 nan 8.190 nan 0.000 0.434 109 L N 5.775 127.070 121.223 0.120 0.000 2.264 109 L HA 0.649 4.989 4.340 0.000 0.000 0.289 109 L C -0.735 176.191 176.870 0.094 0.000 1.044 109 L CA -0.062 54.856 54.840 0.129 0.000 0.807 109 L CB 1.254 43.434 42.059 0.202 0.000 1.192 109 L HN 0.727 nan 8.230 nan 0.000 0.425 110 L N 6.214 127.507 121.223 0.115 0.000 2.264 110 L HA 0.556 4.896 4.340 0.000 0.000 0.289 110 L C -0.605 176.359 176.870 0.157 0.000 1.044 110 L CA 0.044 54.979 54.840 0.158 0.000 0.807 110 L CB 0.646 42.817 42.059 0.187 0.000 1.192 110 L HN 0.628 nan 8.230 nan 0.000 0.425 111 R N 4.731 125.299 120.500 0.114 0.000 2.437 111 R HA 0.689 5.029 4.340 0.000 0.000 0.310 111 R C -1.337 174.929 176.300 -0.057 0.000 0.955 111 R CA -0.911 55.170 56.100 -0.030 0.000 0.851 111 R CB 1.933 32.220 30.300 -0.022 0.000 1.161 111 R HN 0.466 nan 8.270 nan 0.000 0.446 112 V N 4.130 123.917 119.914 -0.211 0.000 2.459 112 V HA 0.419 4.539 4.120 0.000 0.000 0.295 112 V C -0.824 174.787 176.094 -0.805 0.000 1.029 112 V CA -0.791 61.354 62.300 -0.258 0.000 0.874 112 V CB 1.016 32.823 31.823 -0.026 0.000 0.985 112 V HN 0.591 nan 8.190 nan 0.000 0.438 113 Y N 2.987 122.895 120.300 -0.653 0.000 2.621 113 Y HA 0.663 5.214 4.550 0.000 0.000 0.334 113 Y C 0.005 175.259 175.900 -1.076 0.000 1.074 113 Y CA -0.981 56.691 58.100 -0.713 0.000 1.149 113 Y CB 1.693 39.983 38.460 -0.283 0.000 1.302 113 Y HN 0.537 nan 8.280 nan 0.000 0.501 114 F N -0.205 119.852 119.950 0.179 0.000 2.815 114 F HA 0.312 4.839 4.527 0.000 0.000 0.335 114 F C -0.319 175.477 175.800 -0.007 0.000 1.179 114 F CA -0.907 57.120 58.000 0.045 0.000 1.204 114 F CB 0.080 39.054 39.000 -0.043 0.000 1.050 114 F HN 0.309 nan 8.300 nan 0.000 0.510 115 N N 3.515 122.292 118.700 0.127 0.000 2.479 115 N HA 0.263 5.003 4.740 0.000 0.000 0.285 115 N C -2.546 172.991 175.510 0.045 0.000 1.075 115 N CA -1.298 51.803 53.050 0.085 0.000 0.967 115 N CB 1.077 39.680 38.487 0.193 0.000 1.137 115 N HN -0.041 nan 8.380 nan 0.000 0.472 116 P HA 0.063 nan 4.420 nan 0.000 0.267 116 P C -0.240 177.083 177.300 0.039 0.000 1.209 116 P CA 0.096 63.239 63.100 0.072 0.000 0.763 116 P CB 0.975 32.743 31.700 0.113 0.000 0.816 117 E N 1.935 122.122 120.200 -0.021 0.000 2.373 117 E HA 0.296 4.646 4.350 0.000 0.000 0.263 117 E C 0.490 177.087 176.600 -0.005 0.000 1.073 117 E CA 0.168 56.522 56.400 -0.076 0.000 0.894 117 E CB 1.095 30.766 29.700 -0.048 0.000 1.008 117 E HN 0.524 nan 8.360 nan 0.000 0.420 118 T N -2.363 112.202 114.554 0.019 0.000 2.906 118 T HA 0.480 4.830 4.350 0.000 0.000 0.295 118 T C 1.051 175.787 174.700 0.059 0.000 1.075 118 T CA -0.150 61.973 62.100 0.038 0.000 1.005 118 T CB 1.446 70.329 68.868 0.026 0.000 1.136 118 T HN 0.351 nan 8.240 nan 0.000 0.498 119 E N 1.445 121.661 120.200 0.026 0.000 2.049 119 E HA -0.186 4.164 4.350 0.000 0.000 0.198 119 E C 2.343 178.951 176.600 0.013 0.000 1.007 119 E CA 2.555 58.966 56.400 0.018 0.000 0.809 119 E CB -1.518 28.180 29.700 -0.003 0.000 0.749 119 E HN 1.028 nan 8.360 nan 0.000 0.450 120 S N -0.227 115.467 115.700 -0.011 0.000 2.399 120 S HA -0.272 4.199 4.470 0.000 0.000 0.231 120 S C 2.135 176.732 174.600 -0.005 0.000 1.022 120 S CA 1.545 59.722 58.200 -0.038 0.000 0.983 120 S CB -0.531 62.603 63.200 -0.110 0.000 0.803 120 S HN 0.756 nan 8.310 nan 0.000 0.480 121 H N 1.955 121.002 119.070 -0.038 0.000 2.363 121 H HA 0.166 4.722 4.556 0.000 0.000 0.301 121 H C 2.029 177.317 175.328 -0.067 0.000 1.074 121 H CA 1.496 57.526 56.048 -0.030 0.000 1.354 121 H CB -0.440 29.331 29.762 0.014 0.000 1.397 121 H HN 0.399 nan 8.280 nan 0.000 0.516 122 L N 0.160 121.484 121.223 0.170 0.000 2.042 122 L HA -0.180 4.160 4.340 0.000 0.000 0.210 122 L C 2.896 179.743 176.870 -0.038 0.000 1.076 122 L CA 1.141 56.038 54.840 0.095 0.000 0.749 122 L CB -0.369 41.740 42.059 0.083 0.000 0.893 122 L HN 0.113 nan 8.230 nan 0.000 0.432 123 V N -0.215 119.671 119.914 -0.046 0.000 2.270 123 V HA -0.255 3.865 4.120 0.000 0.000 0.245 123 V C 2.734 178.748 176.094 -0.134 0.000 1.043 123 V CA 1.748 64.008 62.300 -0.066 0.000 1.014 123 V CB -0.868 30.934 31.823 -0.034 0.000 0.645 123 V HN 0.470 nan 8.190 nan 0.000 0.447 124 A N 0.104 122.822 122.820 -0.170 0.000 1.892 124 A HA -0.289 4.031 4.320 0.000 0.000 0.218 124 A C 2.335 179.689 177.584 -0.383 0.000 1.188 124 A CA 2.789 54.694 52.037 -0.220 0.000 0.631 124 A CB -1.000 17.875 19.000 -0.209 0.000 0.822 124 A HN 0.637 nan 8.150 nan 0.000 0.447 125 E N -0.448 119.409 120.200 -0.571 0.000 2.077 125 E HA -0.153 4.197 4.350 0.000 0.000 0.193 125 E C 2.176 178.328 176.600 -0.746 0.000 0.989 125 E CA 1.838 57.702 56.400 -0.894 0.000 0.800 125 E CB -1.115 28.094 29.700 -0.819 0.000 0.746 125 E HN 0.665 nan 8.360 nan 0.000 0.452 126 S N -0.058 115.449 115.700 -0.321 0.000 2.368 126 S HA -0.107 4.363 4.470 0.000 0.000 0.224 126 S C 2.292 176.807 174.600 -0.141 0.000 1.029 126 S CA 1.206 59.329 58.200 -0.128 0.000 0.988 126 S CB -0.182 62.988 63.200 -0.050 0.000 0.838 126 S HN 0.419 nan 8.310 nan 0.000 0.462 127 V N 2.142 121.951 119.914 -0.175 0.000 2.295 127 V HA -0.167 3.954 4.120 0.000 0.000 0.246 127 V C 2.080 178.057 176.094 -0.195 0.000 1.049 127 V CA 1.571 63.781 62.300 -0.150 0.000 1.024 127 V CB -0.639 31.107 31.823 -0.129 0.000 0.648 127 V HN 0.430 nan 8.190 nan 0.000 0.447 128 I N -0.843 119.553 120.570 -0.290 0.000 2.127 128 I HA -0.247 3.923 4.170 0.000 0.000 0.241 128 I C 2.356 178.354 176.117 -0.197 0.000 1.075 128 I CA 1.761 62.879 61.300 -0.304 0.000 1.334 128 I CB -0.482 37.319 38.000 -0.331 0.000 1.040 128 I HN 0.213 nan 8.210 nan 0.000 0.405 129 F N 0.880 120.741 119.950 -0.148 0.000 2.134 129 F HA -0.182 4.345 4.527 0.000 0.000 0.299 129 F C 2.781 178.482 175.800 -0.165 0.000 1.097 129 F CA 1.383 59.290 58.000 -0.155 0.000 1.264 129 F CB -1.866 37.055 39.000 -0.133 0.000 1.001 129 F HN 0.025 nan 8.300 nan 0.000 0.479 130 T N 0.880 115.455 114.554 0.035 0.000 2.746 130 T HA -0.172 4.178 4.350 0.000 0.000 0.267 130 T C 2.258 176.906 174.700 -0.086 0.000 1.039 130 T CA 1.177 63.255 62.100 -0.036 0.000 1.142 130 T CB -0.632 68.214 68.868 -0.038 0.000 0.866 130 T HN 0.248 nan 8.240 nan 0.000 0.444 131 L N 0.471 121.625 121.223 -0.114 0.000 2.046 131 L HA -0.004 4.336 4.340 0.000 0.000 0.208 131 L C 2.204 178.977 176.870 -0.162 0.000 1.077 131 L CA 1.319 56.070 54.840 -0.147 0.000 0.747 131 L CB -0.280 41.659 42.059 -0.199 0.000 0.896 131 L HN 0.247 nan 8.230 nan 0.000 0.432 132 L N -1.078 120.038 121.223 -0.179 0.000 2.056 132 L HA -0.199 4.141 4.340 0.000 0.000 0.207 132 L C 2.788 179.557 176.870 -0.167 0.000 1.078 132 L CA 1.323 56.045 54.840 -0.198 0.000 0.749 132 L CB -0.650 41.259 42.059 -0.250 0.000 0.901 132 L HN 0.324 nan 8.230 nan 0.000 0.433 133 S N -0.355 115.246 115.700 -0.165 0.000 2.348 133 S HA -0.192 4.278 4.470 0.000 0.000 0.221 133 S C 1.955 176.373 174.600 -0.304 0.000 1.033 133 S CA 1.275 59.339 58.200 -0.228 0.000 1.010 133 S CB -0.113 62.963 63.200 -0.207 0.000 0.891 133 S HN 0.348 nan 8.310 nan 0.000 0.442 134 E N 0.918 120.992 120.200 -0.209 0.000 2.118 134 E HA -0.091 4.260 4.350 0.000 0.000 0.195 134 E C 1.995 178.536 176.600 -0.099 0.000 0.992 134 E CA 0.930 57.229 56.400 -0.169 0.000 0.804 134 E CB -0.248 29.397 29.700 -0.092 0.000 0.741 134 E HN 0.561 nan 8.360 nan 0.000 0.458 135 R N -0.193 120.265 120.500 -0.069 0.000 2.334 135 R HA 0.062 4.402 4.340 0.000 0.000 0.220 135 R C -0.269 176.120 176.300 0.148 0.000 0.917 135 R CA -0.049 56.081 56.100 0.050 0.000 1.073 135 R CB -0.139 30.148 30.300 -0.021 0.000 1.056 135 R HN 0.237 nan 8.270 nan 0.000 0.506 136 H N -0.578 118.455 119.070 -0.062 0.000 2.770 136 H HA -0.141 4.415 4.556 0.000 0.000 0.309 136 H C 0.325 175.623 175.328 -0.048 0.000 1.206 136 H CA 0.650 56.667 56.048 -0.052 0.000 1.147 136 H CB -1.784 27.955 29.762 -0.038 0.000 1.422 136 H HN 0.234 nan 8.280 nan 0.000 0.420 137 L N -1.185 120.034 121.223 -0.006 0.000 2.693 137 L HA 0.417 4.757 4.340 0.000 0.000 0.235 137 L C 1.474 178.328 176.870 -0.026 0.000 1.127 137 L CA 0.556 55.385 54.840 -0.018 0.000 0.914 137 L CB 0.703 42.722 42.059 -0.065 0.000 1.193 137 L HN 0.520 nan 8.230 nan 0.000 0.502 138 G N -0.525 108.248 108.800 -0.045 0.000 2.550 138 G HA2 0.378 4.339 3.960 0.000 0.000 0.293 138 G HA3 0.378 4.339 3.960 0.000 0.000 0.293 138 G C -3.011 171.852 174.900 -0.062 0.000 1.402 138 G CA -0.644 44.439 45.100 -0.028 0.000 0.784 138 G HN -0.320 nan 8.290 nan 0.000 0.482 139 P HA 0.150 nan 4.420 nan 0.000 0.266 139 P C -0.316 176.881 177.300 -0.172 0.000 1.195 139 P CA -0.053 62.995 63.100 -0.087 0.000 0.768 139 P CB 1.000 32.664 31.700 -0.059 0.000 0.838 140 K N 2.381 122.643 120.400 -0.230 0.000 2.489 140 K HA 0.042 4.362 4.320 0.000 0.000 0.278 140 K C -0.146 176.141 176.600 -0.522 0.000 1.000 140 K CA -0.416 55.636 56.287 -0.391 0.000 1.012 140 K CB 0.055 32.278 32.500 -0.462 0.000 0.903 140 K HN 0.317 nan 8.250 nan 0.000 0.485 141 L N 5.264 126.221 121.223 -0.443 0.000 2.326 141 L HA 0.163 4.503 4.340 0.000 0.000 0.278 141 L C -0.518 176.080 176.870 -0.453 0.000 1.092 141 L CA 0.298 54.920 54.840 -0.364 0.000 0.810 141 L CB 0.743 42.685 42.059 -0.195 0.000 1.153 141 L HN 0.737 nan 8.230 nan 0.000 0.439 142 Y N 3.175 123.414 120.300 -0.100 0.000 2.535 142 Y HA 0.613 5.163 4.550 0.000 0.000 0.264 142 Y C 1.105 176.952 175.900 -0.087 0.000 1.087 142 Y CA -0.034 58.022 58.100 -0.073 0.000 1.285 142 Y CB 0.618 39.021 38.460 -0.095 0.000 1.200 142 Y HN 0.670 nan 8.280 nan 0.000 0.514 143 G N -0.136 108.594 108.800 -0.116 0.000 2.442 143 G HA2 0.477 4.437 3.960 0.000 0.000 0.296 143 G HA3 0.477 4.437 3.960 0.000 0.000 0.296 143 G C -1.940 172.670 174.900 -0.482 0.000 1.564 143 G CA -0.791 44.048 45.100 -0.435 0.000 0.828 143 G HN -0.074 nan 8.290 nan 0.000 0.571 144 I N 1.282 121.655 120.570 -0.328 0.000 2.466 144 I HA 0.612 4.782 4.170 0.000 0.000 0.289 144 I C -0.286 175.823 176.117 -0.014 0.000 1.026 144 I CA -0.846 60.336 61.300 -0.196 0.000 1.078 144 I CB 1.644 39.629 38.000 -0.024 0.000 1.249 144 I HN 0.561 nan 8.210 nan 0.000 0.429 145 F N 2.391 122.312 119.950 -0.048 0.000 2.740 145 F HA 0.615 5.142 4.527 0.000 0.000 0.357 145 F C 0.293 176.143 175.800 0.084 0.000 1.141 145 F CA -1.511 56.551 58.000 0.104 0.000 1.044 145 F CB 0.870 39.967 39.000 0.163 0.000 1.430 145 F HN 0.228 nan 8.300 nan 0.000 0.518 146 S N 0.374 116.268 115.700 0.323 0.000 2.466 146 S HA 0.420 4.891 4.470 0.000 0.000 0.286 146 S C 0.866 175.553 174.600 0.146 0.000 1.221 146 S CA 0.623 58.927 58.200 0.174 0.000 1.091 146 S CB -0.921 62.395 63.200 0.192 0.000 0.956 146 S HN 1.962 nan 8.310 nan 0.000 0.501 147 G N 2.958 111.734 108.800 -0.040 0.000 2.141 147 G HA2 0.042 4.002 3.960 0.000 0.000 0.242 147 G HA3 0.042 4.002 3.960 0.000 0.000 0.242 147 G C 0.566 175.349 174.900 -0.195 0.000 0.982 147 G CA -0.177 44.889 45.100 -0.056 0.000 0.662 147 G HN 1.580 nan 8.290 nan 0.000 0.527 148 G N -1.044 107.359 108.800 -0.662 0.000 2.325 148 G HA2 0.857 4.817 3.960 0.000 0.000 0.295 148 G HA3 0.857 4.817 3.960 0.000 0.000 0.295 148 G C -0.897 173.185 174.900 -1.362 0.000 1.274 148 G CA 0.351 44.956 45.100 -0.825 0.000 0.857 148 G HN 1.535 nan 8.290 nan 0.000 0.499 149 R N -1.479 118.592 120.500 -0.715 0.000 2.712 149 R HA 0.700 5.040 4.340 0.000 0.000 0.272 149 R C -1.922 174.369 176.300 -0.015 0.000 1.032 149 R CA -1.052 54.815 56.100 -0.389 0.000 0.874 149 R CB 0.896 30.976 30.300 -0.367 0.000 1.256 149 R HN 0.517 nan 8.270 nan 0.000 0.468 150 L N 1.553 122.746 121.223 -0.050 0.000 2.322 150 L HA 0.553 4.893 4.340 0.000 0.000 0.281 150 L C -0.407 176.482 176.870 0.032 0.000 1.014 150 L CA -0.474 54.371 54.840 0.008 0.000 0.815 150 L CB 1.768 43.798 42.059 -0.048 0.000 1.247 150 L HN 0.839 nan 8.230 nan 0.000 0.421 151 E N 1.871 122.127 120.200 0.093 0.000 2.433 151 E HA 0.304 4.655 4.350 0.000 0.000 0.278 151 E C -1.246 175.489 176.600 0.226 0.000 0.976 151 E CA -1.020 55.426 56.400 0.078 0.000 0.793 151 E CB 1.786 31.430 29.700 -0.092 0.000 1.311 151 E HN 0.512 nan 8.360 nan 0.000 0.460 152 E N 1.151 121.448 120.200 0.161 0.000 2.452 152 E HA -0.081 4.269 4.350 0.000 0.000 0.261 152 E C -1.311 175.406 176.600 0.194 0.000 0.987 152 E CA -0.322 56.237 56.400 0.265 0.000 0.926 152 E CB 0.439 30.208 29.700 0.116 0.000 0.934 152 E HN 0.526 nan 8.360 nan 0.000 0.452 153 Y N 5.063 125.432 120.300 0.115 0.000 2.316 153 Y HA 0.338 4.888 4.550 0.000 0.000 0.331 153 Y C -0.597 175.344 175.900 0.069 0.000 1.083 153 Y CA -0.592 57.555 58.100 0.078 0.000 1.206 153 Y CB 0.596 39.105 38.460 0.083 0.000 1.195 153 Y HN 0.415 nan 8.280 nan 0.000 0.497 154 I N 9.386 129.548 120.570 -0.681 0.000 2.354 154 I HA 0.299 4.469 4.170 0.000 0.000 0.286 154 I C -2.351 173.325 176.117 -0.734 0.000 1.007 154 I CA -2.220 58.773 61.300 -0.511 0.000 1.167 154 I CB 1.391 39.245 38.000 -0.243 0.000 1.320 154 I HN 0.536 nan 8.210 nan 0.000 0.458 155 P HA 0.086 nan 4.420 nan 0.000 0.265 155 P C -0.518 176.697 177.300 -0.142 0.000 1.222 155 P CA 0.380 63.347 63.100 -0.222 0.000 0.767 155 P CB 0.542 32.238 31.700 -0.005 0.000 0.801 156 S N 2.660 118.295 115.700 -0.108 0.000 2.671 156 S HA 0.707 5.177 4.470 0.000 0.000 0.270 156 S C -1.291 173.298 174.600 -0.018 0.000 1.166 156 S CA -1.189 56.977 58.200 -0.056 0.000 0.868 156 S CB 1.604 64.755 63.200 -0.080 0.000 1.190 156 S HN 0.549 nan 8.310 nan 0.000 0.494 157 R N -0.249 120.247 120.500 -0.008 0.000 2.698 157 R HA 0.803 5.143 4.340 0.000 0.000 0.275 157 R C -3.392 172.909 176.300 0.002 0.000 1.001 157 R CA -1.769 54.336 56.100 0.008 0.000 0.896 157 R CB 1.985 32.296 30.300 0.018 0.000 1.218 157 R HN 0.514 nan 8.270 nan 0.000 0.462 158 P HA 0.233 nan 4.420 nan 0.000 0.280 158 P C -0.510 176.793 177.300 0.005 0.000 1.272 158 P CA -0.681 62.420 63.100 0.003 0.000 0.819 158 P CB 1.120 32.824 31.700 0.006 0.000 1.122 159 L N 0.610 121.831 121.223 -0.003 0.000 2.439 159 L HA 0.224 4.564 4.340 0.000 0.000 0.261 159 L C 1.462 178.333 176.870 0.001 0.000 1.153 159 L CA -0.275 54.557 54.840 -0.012 0.000 0.808 159 L CB 0.808 42.844 42.059 -0.038 0.000 1.126 159 L HN 0.532 nan 8.230 nan 0.000 0.460 160 S N -0.286 115.414 115.700 0.000 0.000 2.669 160 S HA 0.043 4.513 4.470 0.000 0.000 0.270 160 S C 1.006 175.599 174.600 -0.011 0.000 1.225 160 S CA -0.669 57.544 58.200 0.021 0.000 0.991 160 S CB 1.286 64.514 63.200 0.047 0.000 0.987 160 S HN 0.844 nan 8.310 nan 0.000 0.552 161 C N 0.810 120.115 119.300 0.008 0.000 2.432 161 C HA -0.134 4.326 4.460 0.000 0.000 0.277 161 C C 2.569 177.494 174.990 -0.109 0.000 1.249 161 C CA 1.632 60.627 59.018 -0.039 0.000 1.725 161 C CB -2.028 25.703 27.740 -0.014 0.000 2.028 161 C HN 1.052 nan 8.230 nan 0.000 0.477 162 H N 0.470 119.466 119.070 -0.124 0.000 2.353 162 H HA -0.122 4.434 4.556 0.000 0.000 0.300 162 H C 2.069 177.262 175.328 -0.225 0.000 1.090 162 H CA 2.255 58.210 56.048 -0.155 0.000 1.327 162 H CB -0.401 29.309 29.762 -0.086 0.000 1.383 162 H HN 0.654 nan 8.280 nan 0.000 0.508 163 E N 0.622 120.671 120.200 -0.251 0.000 2.160 163 E HA -0.149 4.202 4.350 0.000 0.000 0.195 163 E C 2.426 178.761 176.600 -0.442 0.000 0.991 163 E CA 1.323 57.531 56.400 -0.319 0.000 0.810 163 E CB -0.159 29.462 29.700 -0.132 0.000 0.742 163 E HN 0.718 nan 8.360 nan 0.000 0.466 164 I N -0.751 119.551 120.570 -0.447 0.000 2.916 164 I HA -0.100 4.070 4.170 0.000 0.000 0.267 164 I C 2.077 177.594 176.117 -1.000 0.000 1.263 164 I CA 1.124 62.123 61.300 -0.502 0.000 1.471 164 I CB -0.189 37.612 38.000 -0.332 0.000 1.089 164 I HN -0.059 nan 8.210 nan 0.000 0.468 165 S N 0.954 115.893 115.700 -1.268 0.000 2.558 165 S HA 0.273 4.743 4.470 0.000 0.000 0.217 165 S C 0.805 174.904 174.600 -0.835 0.000 0.975 165 S CA -0.418 56.722 58.200 -1.767 0.000 0.912 165 S CB -0.549 61.918 63.200 -1.222 0.000 0.776 165 S HN 0.421 nan 8.310 nan 0.000 0.526 166 L N 1.675 122.518 121.223 -0.633 0.000 2.380 166 L HA 0.396 4.737 4.340 0.000 0.000 0.273 166 L C 1.793 178.489 176.870 -0.291 0.000 1.138 166 L CA -0.234 54.365 54.840 -0.403 0.000 0.832 166 L CB 0.497 42.274 42.059 -0.471 0.000 1.124 166 L HN 0.245 nan 8.230 nan 0.000 0.454 167 A N 3.125 125.905 122.820 -0.067 0.000 1.873 167 A HA -0.242 4.078 4.320 0.000 0.000 0.218 167 A C 2.143 179.736 177.584 0.015 0.000 1.193 167 A CA 2.012 54.068 52.037 0.032 0.000 0.629 167 A CB -0.870 18.192 19.000 0.102 0.000 0.826 167 A HN 0.977 nan 8.150 nan 0.000 0.447 168 H N -1.896 117.165 119.070 -0.016 0.000 2.421 168 H HA -0.046 4.511 4.556 0.000 0.000 0.298 168 H C 1.799 177.116 175.328 -0.019 0.000 1.087 168 H CA 1.576 57.615 56.048 -0.014 0.000 1.330 168 H CB -0.725 29.027 29.762 -0.016 0.000 1.388 168 H HN 0.370 nan 8.280 nan 0.000 0.526 169 M N 0.737 120.010 119.600 -0.544 0.000 2.193 169 M HA -0.042 4.438 4.480 0.000 0.000 0.265 169 M C 2.590 178.808 176.300 -0.137 0.000 1.071 169 M CA 0.900 56.005 55.300 -0.325 0.000 1.140 169 M CB -0.740 31.605 32.600 -0.425 0.000 1.369 169 M HN 0.310 nan 8.290 nan 0.000 0.423 170 S N 0.041 115.684 115.700 -0.094 0.000 2.383 170 S HA -0.134 4.336 4.470 0.000 0.000 0.229 170 S C 1.905 176.543 174.600 0.063 0.000 1.030 170 S CA 1.989 60.265 58.200 0.126 0.000 1.002 170 S CB -0.151 63.206 63.200 0.261 0.000 0.829 170 S HN 0.497 nan 8.310 nan 0.000 0.467 171 T N 1.924 116.476 114.554 -0.003 0.000 2.746 171 T HA -0.047 4.303 4.350 0.000 0.000 0.267 171 T C 1.805 176.451 174.700 -0.090 0.000 1.039 171 T CA 1.306 63.373 62.100 -0.054 0.000 1.142 171 T CB -0.204 68.659 68.868 -0.009 0.000 0.866 171 T HN 0.465 nan 8.240 nan 0.000 0.444 172 K N 0.510 120.875 120.400 -0.057 0.000 2.057 172 K HA 0.052 4.372 4.320 0.000 0.000 0.206 172 K C 2.236 178.788 176.600 -0.079 0.000 1.050 172 K CA 1.043 57.296 56.287 -0.056 0.000 0.935 172 K CB -0.294 32.186 32.500 -0.033 0.000 0.715 172 K HN 0.334 nan 8.250 nan 0.000 0.439 173 I N 1.140 121.665 120.570 -0.074 0.000 2.179 173 I HA -0.285 3.885 4.170 0.000 0.000 0.242 173 I C 2.557 178.574 176.117 -0.167 0.000 1.088 173 I CA 1.122 62.373 61.300 -0.081 0.000 1.357 173 I CB -0.484 37.513 38.000 -0.005 0.000 1.051 173 I HN 0.140 nan 8.210 nan 0.000 0.409 174 A N 1.003 123.590 122.820 -0.388 0.000 1.917 174 A HA -0.263 4.057 4.320 0.000 0.000 0.219 174 A C 2.311 179.727 177.584 -0.281 0.000 1.182 174 A CA 1.911 53.466 52.037 -0.804 0.000 0.633 174 A CB -0.530 17.767 19.000 -1.171 0.000 0.819 174 A HN 0.373 nan 8.150 nan 0.000 0.448 175 K N -1.145 119.139 120.400 -0.193 0.000 2.097 175 K HA -0.091 4.229 4.320 0.000 0.000 0.205 175 K C 2.187 178.739 176.600 -0.081 0.000 1.050 175 K CA 1.044 57.261 56.287 -0.117 0.000 0.938 175 K CB -0.122 32.325 32.500 -0.088 0.000 0.718 175 K HN 0.236 nan 8.250 nan 0.000 0.442 176 R N 0.594 121.054 120.500 -0.067 0.000 2.090 176 R HA -0.028 4.312 4.340 0.000 0.000 0.228 176 R C 2.295 178.581 176.300 -0.022 0.000 1.110 176 R CA 0.760 56.843 56.100 -0.029 0.000 0.973 176 R CB -1.032 29.254 30.300 -0.022 0.000 0.869 176 R HN 0.047 nan 8.270 nan 0.000 0.440 177 V N 1.569 121.456 119.914 -0.045 0.000 2.407 177 V HA -0.180 3.940 4.120 0.000 0.000 0.248 177 V C 2.516 178.558 176.094 -0.087 0.000 1.055 177 V CA 1.717 63.964 62.300 -0.089 0.000 1.049 177 V CB -0.936 30.884 31.823 -0.006 0.000 0.662 177 V HN 0.282 nan 8.190 nan 0.000 0.455 178 A N -0.261 122.551 122.820 -0.013 0.000 1.940 178 A HA -0.215 4.105 4.320 0.000 0.000 0.219 178 A C 2.307 179.825 177.584 -0.111 0.000 1.176 178 A CA 1.700 53.563 52.037 -0.290 0.000 0.631 178 A CB -0.374 18.353 19.000 -0.456 0.000 0.814 178 A HN 0.410 nan 8.150 nan 0.000 0.446 179 K N -0.360 120.013 120.400 -0.046 0.000 2.062 179 K HA -0.014 4.306 4.320 0.000 0.000 0.205 179 K C 2.022 178.678 176.600 0.093 0.000 1.051 179 K CA 1.239 57.533 56.287 0.012 0.000 0.941 179 K CB -0.991 31.517 32.500 0.013 0.000 0.719 179 K HN 0.344 nan 8.250 nan 0.000 0.440 180 V N 1.249 121.245 119.914 0.136 0.000 2.332 180 V HA -0.245 3.875 4.120 0.000 0.000 0.248 180 V C 1.976 178.304 176.094 0.390 0.000 1.055 180 V CA 1.719 64.197 62.300 0.296 0.000 1.038 180 V CB -0.711 31.315 31.823 0.339 0.000 0.651 180 V HN 0.419 nan 8.190 nan 0.000 0.450 181 H N -0.937 118.243 119.070 0.185 0.000 2.561 181 H HA -0.058 4.498 4.556 0.000 0.000 0.278 181 H C 2.094 177.493 175.328 0.119 0.000 1.014 181 H CA 0.557 56.698 56.048 0.154 0.000 1.211 181 H CB 0.252 30.158 29.762 0.240 0.000 1.365 181 H HN 0.515 nan 8.280 nan 0.000 0.594 182 Q N 0.327 120.249 119.800 0.202 0.000 2.356 182 Q HA 0.144 4.484 4.340 0.000 0.000 0.205 182 Q C 0.031 176.081 176.000 0.083 0.000 0.901 182 Q CA -0.199 55.671 55.803 0.112 0.000 0.938 182 Q CB 0.728 29.497 28.738 0.052 0.000 1.081 182 Q HN 0.401 nan 8.270 nan 0.000 0.517 183 L N 1.717 122.997 121.223 0.094 0.000 2.453 183 L HA 0.066 4.407 4.340 0.000 0.000 0.272 183 L C 0.358 177.205 176.870 -0.039 0.000 1.182 183 L CA 0.277 55.108 54.840 -0.016 0.000 0.858 183 L CB 0.444 42.438 42.059 -0.108 0.000 1.120 183 L HN 0.109 nan 8.230 nan 0.000 0.474 184 E N 3.237 123.401 120.200 -0.060 0.000 2.055 184 E HA 0.372 4.722 4.350 0.000 0.000 0.274 184 E C -1.497 175.048 176.600 -0.093 0.000 0.949 184 E CA -0.553 55.846 56.400 -0.001 0.000 0.775 184 E CB 1.214 30.910 29.700 -0.007 0.000 1.097 184 E HN 0.309 nan 8.360 nan 0.000 0.404 185 V N 6.828 126.706 119.914 -0.061 0.000 2.459 185 V HA 0.333 4.454 4.120 0.000 0.000 0.295 185 V C -1.955 174.137 176.094 -0.004 0.000 1.029 185 V CA -1.769 60.430 62.300 -0.169 0.000 0.874 185 V CB 1.655 33.163 31.823 -0.525 0.000 0.985 185 V HN 0.688 nan 8.190 nan 0.000 0.438 186 P HA 0.217 nan 4.420 nan 0.000 0.235 186 P C -0.515 176.775 177.300 -0.016 0.000 1.765 186 P CA 0.416 63.488 63.100 -0.047 0.000 1.034 186 P CB -0.342 31.323 31.700 -0.059 0.000 1.984 187 I N -4.512 116.078 120.570 0.034 0.000 3.264 187 I HA 0.507 4.677 4.170 0.000 0.000 0.315 187 I C -0.262 175.917 176.117 0.102 0.000 1.154 187 I CA -1.854 59.505 61.300 0.097 0.000 0.962 187 I CB 1.752 39.840 38.000 0.146 0.000 1.265 187 I HN -0.044 nan 8.210 nan 0.000 0.463 188 W N 3.075 124.347 121.300 -0.047 0.000 2.435 188 W HA -0.010 4.650 4.660 0.000 0.000 0.337 188 W C 0.267 176.676 176.519 -0.184 0.000 1.300 188 W CA 0.296 57.586 57.345 -0.090 0.000 1.298 188 W CB 0.742 30.180 29.460 -0.038 0.000 1.217 188 W HN 0.661 nan 8.180 nan 0.000 0.565 189 K N 3.224 123.306 120.400 -0.529 0.000 2.361 189 K HA 0.013 4.333 4.320 0.000 0.000 0.196 189 K C 0.438 176.805 176.600 -0.389 0.000 1.039 189 K CA 0.619 56.474 56.287 -0.719 0.000 1.001 189 K CB 0.170 32.233 32.500 -0.729 0.000 0.795 189 K HN 0.398 nan 8.250 nan 0.000 0.495 190 E N 1.876 121.863 120.200 -0.354 0.000 2.331 190 E HA 0.095 4.446 4.350 0.000 0.000 0.272 190 E C -2.135 174.531 176.600 0.110 0.000 1.036 190 E CA -2.405 53.927 56.400 -0.113 0.000 0.864 190 E CB 0.765 30.423 29.700 -0.070 0.000 1.035 190 E HN -0.055 nan 8.360 nan 0.000 0.408 191 P HA 0.078 nan 4.420 nan 0.000 0.232 191 P C -0.353 176.940 177.300 -0.012 0.000 1.738 191 P CA 0.156 63.155 63.100 -0.168 0.000 0.948 191 P CB 0.104 31.352 31.700 -0.753 0.000 1.943 192 D N -0.995 119.474 120.400 0.114 0.000 2.354 192 D HA -0.080 4.560 4.640 0.000 0.000 0.209 192 D C 1.516 177.790 176.300 -0.042 0.000 1.015 192 D CA 0.172 54.202 54.000 0.049 0.000 0.867 192 D CB -0.198 40.635 40.800 0.055 0.000 0.933 192 D HN 0.221 nan 8.370 nan 0.000 0.520 193 Y N 2.402 122.629 120.300 -0.122 0.000 2.040 193 Y HA -0.290 4.261 4.550 0.000 0.000 0.275 193 Y C 2.164 177.936 175.900 -0.212 0.000 1.171 193 Y CA 1.577 59.572 58.100 -0.175 0.000 1.123 193 Y CB -0.613 37.741 38.460 -0.177 0.000 0.963 193 Y HN -0.131 nan 8.280 nan 0.000 0.493 194 L N -0.915 120.086 121.223 -0.371 0.000 1.978 194 L HA -0.407 3.933 4.340 0.000 0.000 0.218 194 L C 2.652 179.336 176.870 -0.311 0.000 1.075 194 L CA 2.017 56.577 54.840 -0.467 0.000 0.767 194 L CB -1.045 40.790 42.059 -0.373 0.000 0.890 194 L HN 0.416 nan 8.230 nan 0.000 0.434 195 C N -1.081 118.102 119.300 -0.195 0.000 2.450 195 C HA -0.114 4.346 4.460 0.000 0.000 0.279 195 C C 2.712 177.568 174.990 -0.224 0.000 1.335 195 C CA 0.511 59.446 59.018 -0.140 0.000 1.749 195 C CB -0.606 27.097 27.740 -0.062 0.000 1.963 195 C HN 0.541 nan 8.230 nan 0.000 0.501 196 E N 1.300 121.328 120.200 -0.287 0.000 2.051 196 E HA -0.183 4.167 4.350 0.000 0.000 0.192 196 E C 2.223 178.552 176.600 -0.453 0.000 0.991 196 E CA 1.407 57.621 56.400 -0.310 0.000 0.799 196 E CB -0.167 29.357 29.700 -0.294 0.000 0.748 196 E HN 0.568 nan 8.360 nan 0.000 0.449 197 A N 1.057 123.444 122.820 -0.722 0.000 1.877 197 A HA -0.163 4.157 4.320 0.000 0.000 0.216 197 A C 2.242 179.064 177.584 -1.269 0.000 1.186 197 A CA 1.246 52.596 52.037 -1.144 0.000 0.620 197 A CB -0.795 17.279 19.000 -1.544 0.000 0.822 197 A HN 0.330 nan 8.150 nan 0.000 0.443 198 L N -0.848 119.900 121.223 -0.792 0.000 2.042 198 L HA -0.278 4.062 4.340 0.000 0.000 0.210 198 L C 2.949 179.720 176.870 -0.165 0.000 1.076 198 L CA 1.959 56.587 54.840 -0.353 0.000 0.749 198 L CB -0.483 41.549 42.059 -0.045 0.000 0.893 198 L HN 0.625 nan 8.230 nan 0.000 0.432 199 Q N -0.351 119.343 119.800 -0.177 0.000 2.096 199 Q HA -0.267 4.073 4.340 0.000 0.000 0.204 199 Q C 2.522 178.480 176.000 -0.071 0.000 0.982 199 Q CA 2.112 57.864 55.803 -0.085 0.000 0.850 199 Q CB 0.036 28.717 28.738 -0.094 0.000 0.901 199 Q HN 0.233 nan 8.270 nan 0.000 0.422 200 R N -0.678 119.729 120.500 -0.155 0.000 2.066 200 R HA -0.117 4.223 4.340 0.000 0.000 0.232 200 R C 1.803 178.155 176.300 0.087 0.000 1.131 200 R CA 1.709 57.767 56.100 -0.069 0.000 0.955 200 R CB -1.294 28.927 30.300 -0.132 0.000 0.851 200 R HN 0.662 nan 8.270 nan 0.000 0.432 201 W N 0.574 121.840 121.300 -0.057 0.000 2.355 201 W HA 0.037 4.697 4.660 0.000 0.000 0.309 201 W C 2.361 178.842 176.519 -0.065 0.000 1.206 201 W CA 0.492 57.795 57.345 -0.071 0.000 1.284 201 W CB -1.532 27.865 29.460 -0.105 0.000 1.145 201 W HN 0.286 nan 8.180 nan 0.000 0.502 202 L N 0.757 122.085 121.223 0.176 0.000 2.042 202 L HA -0.309 4.031 4.340 0.000 0.000 0.210 202 L C 2.859 179.784 176.870 0.092 0.000 1.076 202 L CA 2.288 57.190 54.840 0.102 0.000 0.749 202 L CB -0.700 41.415 42.059 0.092 0.000 0.893 202 L HN -0.092 nan 8.230 nan 0.000 0.432 203 K N -0.363 120.085 120.400 0.080 0.000 2.032 203 K HA -0.289 4.031 4.320 0.000 0.000 0.209 203 K C 1.983 178.624 176.600 0.067 0.000 1.048 203 K CA 2.074 58.400 56.287 0.064 0.000 0.927 203 K CB -0.410 32.117 32.500 0.044 0.000 0.712 203 K HN 0.629 nan 8.250 nan 0.000 0.441 204 Q N -0.543 119.304 119.800 0.078 0.000 2.079 204 Q HA -0.105 4.235 4.340 0.000 0.000 0.200 204 Q C 2.204 178.234 176.000 0.050 0.000 0.974 204 Q CA 1.851 57.691 55.803 0.062 0.000 0.840 204 Q CB -0.290 28.490 28.738 0.070 0.000 0.898 204 Q HN 0.403 nan 8.270 nan 0.000 0.430 205 L N 0.423 121.681 121.223 0.057 0.000 2.046 205 L HA -0.155 4.185 4.340 0.000 0.000 0.208 205 L C 2.087 179.019 176.870 0.104 0.000 1.077 205 L CA 2.295 57.172 54.840 0.062 0.000 0.747 205 L CB -0.969 41.118 42.059 0.047 0.000 0.896 205 L HN 0.192 nan 8.230 nan 0.000 0.432 206 T N -0.454 114.163 114.554 0.105 0.000 2.720 206 T HA -0.145 4.206 4.350 0.000 0.000 0.268 206 T C 1.564 176.310 174.700 0.077 0.000 1.037 206 T CA 1.395 63.560 62.100 0.109 0.000 1.144 206 T CB -0.865 68.059 68.868 0.093 0.000 0.864 206 T HN 0.608 nan 8.240 nan 0.000 0.444 207 G N 0.232 109.066 108.800 0.057 0.000 2.744 207 G HA2 -0.045 3.915 3.960 0.000 0.000 0.211 207 G HA3 -0.045 3.915 3.960 0.000 0.000 0.211 207 G C 1.378 176.294 174.900 0.026 0.000 1.143 207 G CA 0.768 45.891 45.100 0.038 0.000 0.788 207 G HN 0.469 nan 8.290 nan 0.000 0.534 208 T N -0.054 114.517 114.554 0.028 0.000 3.037 208 T HA 0.255 4.605 4.350 0.000 0.000 0.251 208 T C 0.691 175.380 174.700 -0.019 0.000 1.079 208 T CA 0.498 62.601 62.100 0.005 0.000 1.067 208 T CB 0.488 69.357 68.868 0.002 0.000 0.948 208 T HN 0.210 nan 8.240 nan 0.000 0.496 209 V N -0.775 119.137 119.914 -0.002 0.000 2.864 209 V HA 0.519 4.639 4.120 0.000 0.000 0.314 209 V C -0.411 175.662 176.094 -0.035 0.000 1.073 209 V CA -1.668 60.584 62.300 -0.080 0.000 0.956 209 V CB 1.804 33.572 31.823 -0.090 0.000 1.023 209 V HN 0.084 nan 8.190 nan 0.000 0.435 210 D N 1.845 122.202 120.400 -0.070 0.000 2.525 210 D HA 0.057 4.697 4.640 0.000 0.000 0.235 210 D C 1.337 177.665 176.300 0.047 0.000 1.137 210 D CA 0.794 54.793 54.000 -0.002 0.000 0.868 210 D CB 1.936 42.738 40.800 0.003 0.000 1.180 210 D HN 0.926 nan 8.370 nan 0.000 0.465 211 A N 4.362 127.204 122.820 0.038 0.000 1.986 211 A HA -0.224 4.096 4.320 0.000 0.000 0.220 211 A C 1.736 179.346 177.584 0.044 0.000 1.171 211 A CA 1.522 53.586 52.037 0.046 0.000 0.640 211 A CB -0.219 18.801 19.000 0.034 0.000 0.811 211 A HN 0.680 nan 8.150 nan 0.000 0.451 212 E N -1.016 119.204 120.200 0.033 0.000 2.489 212 E HA 0.087 4.438 4.350 0.000 0.000 0.193 212 E C 0.403 177.000 176.600 -0.006 0.000 1.057 212 E CA -0.022 56.386 56.400 0.013 0.000 0.866 212 E CB -0.260 29.443 29.700 0.006 0.000 0.916 212 E HN 0.773 nan 8.360 nan 0.000 0.500 213 H N 1.424 120.432 119.070 -0.104 0.000 2.848 213 H HA 0.180 4.736 4.556 0.000 0.000 0.341 213 H C -0.271 174.891 175.328 -0.276 0.000 1.060 213 H CA 0.319 56.241 56.048 -0.210 0.000 1.444 213 H CB 0.330 29.927 29.762 -0.275 0.000 1.446 213 H HN -0.109 nan 8.280 nan 0.000 0.583 214 R N 4.203 124.168 120.500 -0.892 0.000 2.686 214 R HA 0.281 4.621 4.340 0.000 0.000 0.283 214 R C -1.169 174.643 176.300 -0.814 0.000 0.978 214 R CA -0.901 54.836 56.100 -0.606 0.000 0.897 214 R CB 1.601 31.748 30.300 -0.254 0.000 1.192 214 R HN 0.428 nan 8.270 nan 0.000 0.457 215 F N 1.375 121.208 119.950 -0.196 0.000 2.405 215 F HA 0.226 4.753 4.527 0.000 0.000 0.355 215 F C 0.585 176.365 175.800 -0.033 0.000 1.121 215 F CA -0.674 57.277 58.000 -0.083 0.000 1.112 215 F CB 0.871 39.893 39.000 0.037 0.000 1.126 215 F HN 0.199 nan 8.300 nan 0.000 0.481 216 D N 4.285 124.747 120.400 0.104 0.000 2.345 216 D HA 0.405 5.046 4.640 0.000 0.000 0.247 216 D C -0.140 176.223 176.300 0.106 0.000 1.108 216 D CA 0.192 54.233 54.000 0.069 0.000 0.894 216 D CB 1.469 42.285 40.800 0.026 0.000 1.203 216 D HN 0.369 nan 8.370 nan 0.000 0.430 217 L N 2.572 123.841 121.223 0.076 0.000 2.354 217 L HA 0.370 4.710 4.340 0.000 0.000 0.264 217 L C -2.282 174.614 176.870 0.043 0.000 1.008 217 L CA -2.116 52.775 54.840 0.086 0.000 0.819 217 L CB 2.287 44.416 42.059 0.116 0.000 1.339 217 L HN 0.110 nan 8.230 nan 0.000 0.420 218 P HA 0.022 nan 4.420 nan 0.000 0.262 218 P C 0.015 177.314 177.300 -0.003 0.000 1.199 218 P CA 0.134 63.246 63.100 0.019 0.000 0.763 218 P CB 0.681 32.396 31.700 0.025 0.000 0.790 219 E N 2.732 122.920 120.200 -0.019 0.000 2.187 219 E HA -0.231 4.119 4.350 0.000 0.000 0.199 219 E C 1.449 178.022 176.600 -0.045 0.000 1.004 219 E CA 1.231 57.608 56.400 -0.040 0.000 0.813 219 E CB 0.008 29.686 29.700 -0.037 0.000 0.736 219 E HN 0.625 nan 8.360 nan 0.000 0.468 220 E N 0.665 120.844 120.200 -0.034 0.000 2.455 220 E HA -0.187 4.163 4.350 0.000 0.000 0.202 220 E C 2.155 178.725 176.600 -0.051 0.000 1.045 220 E CA 1.210 57.587 56.400 -0.039 0.000 0.872 220 E CB -0.779 28.903 29.700 -0.030 0.000 0.792 220 E HN 0.514 nan 8.360 nan 0.000 0.542 221 C N -1.405 117.869 119.300 -0.044 0.000 2.563 221 C HA 0.609 5.069 4.460 0.000 0.000 0.268 221 C C 1.852 176.800 174.990 -0.070 0.000 1.365 221 C CA 0.253 59.246 59.018 -0.040 0.000 1.754 221 C CB -0.302 27.459 27.740 0.035 0.000 1.932 221 C HN 0.515 nan 8.230 nan 0.000 0.536 222 G N -0.008 108.729 108.800 -0.105 0.000 2.231 222 G HA2 -0.103 3.858 3.960 0.000 0.000 0.206 222 G HA3 -0.103 3.858 3.960 0.000 0.000 0.206 222 G C -0.210 174.551 174.900 -0.232 0.000 0.996 222 G CA 0.181 45.195 45.100 -0.144 0.000 0.645 222 G HN 0.978 nan 8.290 nan 0.000 0.498 223 V N 1.803 121.533 119.914 -0.306 0.000 2.577 223 V HA 0.582 4.702 4.120 0.000 0.000 0.303 223 V C 1.224 177.178 176.094 -0.234 0.000 1.042 223 V CA 0.281 62.331 62.300 -0.418 0.000 0.872 223 V CB 1.631 32.847 31.823 -1.011 0.000 0.998 223 V HN 0.701 nan 8.190 nan 0.000 0.423 224 S N 2.303 117.908 115.700 -0.157 0.000 2.446 224 S HA 0.130 4.600 4.470 0.000 0.000 0.225 224 S C 0.716 175.287 174.600 -0.048 0.000 1.016 224 S CA 0.549 58.700 58.200 -0.083 0.000 0.943 224 S CB 0.083 63.243 63.200 -0.067 0.000 0.786 224 S HN 1.333 nan 8.310 nan 0.000 0.508 225 S N -0.419 115.248 115.700 -0.055 0.000 2.615 225 S HA 0.657 5.127 4.470 0.000 0.000 0.268 225 S C -1.224 173.398 174.600 0.037 0.000 1.146 225 S CA -0.348 57.858 58.200 0.010 0.000 0.818 225 S CB 1.218 64.412 63.200 -0.010 0.000 1.111 225 S HN 1.300 nan 8.310 nan 0.000 0.465 226 V N -0.399 119.597 119.914 0.135 0.000 3.120 226 V HA 0.876 4.996 4.120 0.000 0.000 0.303 226 V C -1.152 175.099 176.094 0.261 0.000 1.238 226 V CA -0.874 61.542 62.300 0.193 0.000 1.008 226 V CB 1.243 33.244 31.823 0.295 0.000 1.064 226 V HN 1.336 nan 8.190 nan 0.000 0.434 227 N N 0.318 119.149 118.700 0.219 0.000 2.741 227 N HA 0.466 5.206 4.740 0.000 0.000 0.310 227 N C 0.683 176.370 175.510 0.296 0.000 1.295 227 N CA -0.171 53.020 53.050 0.234 0.000 0.893 227 N CB 0.771 39.323 38.487 0.109 0.000 1.247 227 N HN 0.647 nan 8.380 nan 0.000 0.596 228 C N -0.752 118.726 119.300 0.296 0.000 2.432 228 C HA 0.095 4.556 4.460 0.000 0.000 0.280 228 C C 2.531 177.626 174.990 0.176 0.000 1.353 228 C CA 0.091 59.254 59.018 0.242 0.000 1.766 228 C CB -1.623 26.250 27.740 0.222 0.000 1.924 228 C HN 0.611 nan 8.230 nan 0.000 0.509 229 L N 0.676 121.989 121.223 0.149 0.000 2.056 229 L HA -0.141 4.199 4.340 0.000 0.000 0.207 229 L C 2.355 179.306 176.870 0.135 0.000 1.078 229 L CA 1.464 56.377 54.840 0.121 0.000 0.749 229 L CB -0.521 41.594 42.059 0.094 0.000 0.901 229 L HN 0.357 nan 8.230 nan 0.000 0.433 230 D N -0.007 120.486 120.400 0.155 0.000 2.097 230 D HA -0.177 4.463 4.640 0.000 0.000 0.195 230 D C 2.344 178.778 176.300 0.223 0.000 0.989 230 D CA 1.211 55.318 54.000 0.177 0.000 0.827 230 D CB -0.254 40.661 40.800 0.192 0.000 0.966 230 D HN 0.284 nan 8.370 nan 0.000 0.456 231 L N 0.920 122.293 121.223 0.250 0.000 2.127 231 L HA -0.183 4.157 4.340 0.000 0.000 0.211 231 L C 2.592 179.620 176.870 0.263 0.000 1.089 231 L CA 1.031 56.053 54.840 0.302 0.000 0.757 231 L CB -0.463 41.727 42.059 0.219 0.000 0.899 231 L HN -0.020 nan 8.230 nan 0.000 0.434 232 A N 0.248 123.179 122.820 0.185 0.000 1.877 232 A HA -0.201 4.119 4.320 0.000 0.000 0.216 232 A C 2.412 180.067 177.584 0.119 0.000 1.186 232 A CA 1.479 53.599 52.037 0.139 0.000 0.620 232 A CB -0.433 18.634 19.000 0.111 0.000 0.822 232 A HN 0.323 nan 8.150 nan 0.000 0.443 233 R N -0.588 119.987 120.500 0.125 0.000 2.081 233 R HA -0.099 4.241 4.340 0.000 0.000 0.235 233 R C 2.061 178.430 176.300 0.115 0.000 1.131 233 R CA 1.296 57.466 56.100 0.117 0.000 0.960 233 R CB -0.302 30.069 30.300 0.119 0.000 0.856 233 R HN 0.470 nan 8.270 nan 0.000 0.436 234 E N 0.949 121.209 120.200 0.099 0.000 2.077 234 E HA -0.193 4.157 4.350 0.000 0.000 0.193 234 E C 1.982 178.445 176.600 -0.228 0.000 0.989 234 E CA 0.854 57.232 56.400 -0.036 0.000 0.800 234 E CB -0.291 29.360 29.700 -0.082 0.000 0.746 234 E HN 0.143 nan 8.360 nan 0.000 0.452 235 L N 1.596 122.708 121.223 -0.185 0.000 2.083 235 L HA -0.185 4.155 4.340 0.000 0.000 0.209 235 L C 2.252 179.095 176.870 -0.045 0.000 1.083 235 L CA 1.896 56.633 54.840 -0.172 0.000 0.752 235 L CB -0.495 41.602 42.059 0.064 0.000 0.899 235 L HN -0.034 nan 8.230 nan 0.000 0.433 236 E N -0.757 119.463 120.200 0.033 0.000 2.077 236 E HA -0.293 4.057 4.350 0.000 0.000 0.193 236 E C 2.064 178.718 176.600 0.090 0.000 0.989 236 E CA 1.652 58.085 56.400 0.056 0.000 0.800 236 E CB -0.644 29.101 29.700 0.075 0.000 0.746 236 E HN 0.517 nan 8.360 nan 0.000 0.452 237 F N 0.585 120.527 119.950 -0.013 0.000 2.075 237 F HA -0.138 4.389 4.527 0.000 0.000 0.297 237 F C 2.114 177.940 175.800 0.042 0.000 1.113 237 F CA 1.740 59.764 58.000 0.039 0.000 1.218 237 F CB -0.567 38.422 39.000 -0.018 0.000 0.984 237 F HN 0.166 nan 8.300 nan 0.000 0.472 238 L N 0.469 121.787 121.223 0.158 0.000 2.012 238 L HA -0.239 4.102 4.340 0.000 0.000 0.210 238 L C 2.861 179.700 176.870 -0.051 0.000 1.073 238 L CA 1.808 56.653 54.840 0.008 0.000 0.748 238 L CB -0.576 41.388 42.059 -0.159 0.000 0.891 238 L HN 0.185 nan 8.230 nan 0.000 0.431 239 R N -0.290 120.189 120.500 -0.034 0.000 2.083 239 R HA -0.218 4.122 4.340 0.000 0.000 0.237 239 R C 2.166 178.440 176.300 -0.044 0.000 1.137 239 R CA 1.623 57.712 56.100 -0.019 0.000 0.951 239 R CB -0.422 29.873 30.300 -0.008 0.000 0.851 239 R HN 0.531 nan 8.270 nan 0.000 0.434 240 A N -0.098 122.679 122.820 -0.072 0.000 1.972 240 A HA -0.176 4.144 4.320 0.000 0.000 0.219 240 A C 1.628 179.044 177.584 -0.281 0.000 1.169 240 A CA 1.687 53.633 52.037 -0.153 0.000 0.635 240 A CB -0.524 18.375 19.000 -0.169 0.000 0.810 240 A HN 0.499 nan 8.150 nan 0.000 0.446 241 H N -0.312 118.545 119.070 -0.354 0.000 2.431 241 H HA 0.112 4.668 4.556 0.000 0.000 0.295 241 H C 2.020 177.177 175.328 -0.284 0.000 1.038 241 H CA 1.159 56.992 56.048 -0.358 0.000 1.360 241 H CB -0.240 29.209 29.762 -0.522 0.000 1.433 241 H HN 0.635 nan 8.280 nan 0.000 0.536 242 I N -0.593 119.886 120.570 -0.152 0.000 2.394 242 I HA -0.164 4.006 4.170 0.000 0.000 0.251 242 I C 2.034 178.031 176.117 -0.201 0.000 1.136 242 I CA 1.525 62.673 61.300 -0.254 0.000 1.425 242 I CB -0.452 37.468 38.000 -0.133 0.000 1.079 242 I HN 0.154 nan 8.210 nan 0.000 0.425 243 S N 1.557 117.227 115.700 -0.051 0.000 2.500 243 S HA 0.019 4.489 4.470 0.000 0.000 0.239 243 S C 1.793 176.386 174.600 -0.012 0.000 0.989 243 S CA 0.732 58.960 58.200 0.046 0.000 0.951 243 S CB -0.764 62.458 63.200 0.035 0.000 0.759 243 S HN 0.625 nan 8.310 nan 0.000 0.523 244 L N 1.245 122.410 121.223 -0.097 0.000 2.529 244 L HA 0.229 4.570 4.340 0.000 0.000 0.223 244 L C 1.444 178.272 176.870 -0.070 0.000 1.113 244 L CA -0.068 54.719 54.840 -0.089 0.000 0.861 244 L CB -0.240 41.735 42.059 -0.140 0.000 1.012 244 L HN 0.305 nan 8.230 nan 0.000 0.461 245 S N 0.085 115.711 115.700 -0.122 0.000 2.562 245 S HA -0.014 4.456 4.470 0.000 0.000 0.281 245 S C 1.017 175.633 174.600 0.025 0.000 1.333 245 S CA -0.239 57.911 58.200 -0.084 0.000 1.052 245 S CB 1.019 64.113 63.200 -0.177 0.000 0.884 245 S HN 0.088 nan 8.310 nan 0.000 0.506 246 K N 2.654 123.092 120.400 0.063 0.000 2.397 246 K HA 0.243 4.563 4.320 0.000 0.000 0.202 246 K C 0.702 177.380 176.600 0.130 0.000 1.022 246 K CA 0.117 56.459 56.287 0.092 0.000 1.141 246 K CB 0.180 32.716 32.500 0.059 0.000 0.857 246 K HN 0.657 nan 8.250 nan 0.000 0.514 247 S N 3.027 118.828 115.700 0.168 0.000 2.515 247 S HA 0.134 4.604 4.470 0.000 0.000 0.285 247 S C -2.506 172.223 174.600 0.215 0.000 1.265 247 S CA -1.444 56.864 58.200 0.181 0.000 1.079 247 S CB 0.110 63.408 63.200 0.163 0.000 0.877 247 S HN 0.104 nan 8.310 nan 0.000 0.493 248 P HA 0.017 nan 4.420 nan 0.000 0.264 248 P C -0.927 176.400 177.300 0.045 0.000 1.183 248 P CA -0.154 63.004 63.100 0.096 0.000 0.763 248 P CB 0.401 32.157 31.700 0.094 0.000 0.807 249 V N 4.044 123.963 119.914 0.008 0.000 2.498 249 V HA 0.442 4.562 4.120 0.000 0.000 0.279 249 V C 0.782 176.878 176.094 0.004 0.000 1.048 249 V CA 0.340 62.594 62.300 -0.077 0.000 0.967 249 V CB 0.863 32.615 31.823 -0.119 0.000 0.988 249 V HN 0.783 nan 8.190 nan 0.000 0.473 250 T N 2.028 116.530 114.554 -0.086 0.000 2.812 250 T HA 0.583 4.933 4.350 0.000 0.000 0.294 250 T C -0.722 173.778 174.700 -0.335 0.000 1.159 250 T CA -0.683 61.368 62.100 -0.081 0.000 1.008 250 T CB 1.409 70.157 68.868 -0.200 0.000 1.289 250 T HN 0.275 nan 8.240 nan 0.000 0.514 251 F N 1.306 120.850 119.950 -0.676 0.000 2.538 251 F HA 0.558 5.085 4.527 0.000 0.000 0.371 251 F C -0.292 175.308 175.800 -0.334 0.000 1.087 251 F CA -1.026 56.442 58.000 -0.887 0.000 1.250 251 F CB -0.318 38.269 39.000 -0.688 0.000 1.110 251 F HN 0.816 nan 8.300 nan 0.000 0.570 252 C N 6.462 125.206 119.300 -0.927 0.000 2.707 252 C HA 0.252 4.713 4.460 0.000 0.000 0.313 252 C C 1.516 176.140 174.990 -0.610 0.000 1.209 252 C CA -0.583 58.114 59.018 -0.536 0.000 1.635 252 C CB 1.567 29.084 27.740 -0.371 0.000 2.206 252 C HN 0.942 nan 8.230 nan 0.000 0.485 253 H N 1.599 120.447 119.070 -0.369 0.000 2.343 253 H HA -0.031 4.526 4.556 0.000 0.000 0.303 253 H C 0.781 175.968 175.328 -0.235 0.000 1.068 253 H CA 2.151 57.940 56.048 -0.431 0.000 1.359 253 H CB 0.222 29.696 29.762 -0.481 0.000 1.402 253 H HN 0.808 nan 8.280 nan 0.000 0.515 254 N N 0.560 119.313 118.700 0.088 0.000 2.936 254 N HA -0.206 4.535 4.740 0.000 0.000 0.236 254 N C -0.672 175.102 175.510 0.440 0.000 0.930 254 N CA 1.470 54.675 53.050 0.259 0.000 0.966 254 N CB -1.413 37.107 38.487 0.055 0.000 1.090 254 N HN 0.539 nan 8.380 nan 0.000 0.592 255 D N 0.185 120.889 120.400 0.508 0.000 3.256 255 D HA 0.208 4.848 4.640 0.000 0.000 0.332 255 D C -0.248 176.166 176.300 0.189 0.000 1.327 255 D CA -0.243 53.996 54.000 0.399 0.000 0.735 255 D CB -0.291 40.751 40.800 0.404 0.000 1.280 255 D HN 0.159 nan 8.370 nan 0.000 0.572 256 L N 2.098 123.335 121.223 0.023 0.000 2.803 256 L HA 0.154 4.494 4.340 0.000 0.000 0.241 256 L C 0.853 177.746 176.870 0.038 0.000 1.404 256 L CA 0.011 54.751 54.840 -0.166 0.000 1.211 256 L CB -0.736 41.208 42.059 -0.191 0.000 1.585 256 L HN 0.265 nan 8.230 nan 0.000 0.430 257 Q N -0.977 118.821 119.800 -0.004 0.000 2.260 257 Q HA 0.137 4.477 4.340 0.000 0.000 0.238 257 Q C 1.149 177.171 176.000 0.037 0.000 0.948 257 Q CA -0.706 55.125 55.803 0.047 0.000 0.895 257 Q CB 0.785 29.525 28.738 0.003 0.000 1.218 257 Q HN 0.266 nan 8.270 nan 0.000 0.470 258 E N 1.802 122.046 120.200 0.074 0.000 2.147 258 E HA -0.255 4.095 4.350 0.000 0.000 0.199 258 E C 1.508 178.118 176.600 0.016 0.000 1.005 258 E CA 1.812 58.236 56.400 0.041 0.000 0.810 258 E CB -0.939 28.786 29.700 0.042 0.000 0.736 258 E HN 0.915 nan 8.360 nan 0.000 0.460 259 G N 1.343 110.149 108.800 0.010 0.000 2.479 259 G HA2 -0.234 3.727 3.960 0.000 0.000 0.220 259 G HA3 -0.234 3.727 3.960 0.000 0.000 0.220 259 G C 1.308 176.197 174.900 -0.019 0.000 1.115 259 G CA 0.662 45.749 45.100 -0.021 0.000 0.757 259 G HN 0.218 nan 8.290 nan 0.000 0.560 260 N N 0.056 118.742 118.700 -0.024 0.000 2.251 260 N HA 0.205 4.945 4.740 0.000 0.000 0.217 260 N C -0.265 175.217 175.510 -0.048 0.000 1.124 260 N CA 0.038 53.080 53.050 -0.014 0.000 0.843 260 N CB 0.885 39.374 38.487 0.003 0.000 1.024 260 N HN 0.263 nan 8.380 nan 0.000 0.501 261 I N 1.910 122.456 120.570 -0.041 0.000 2.390 261 I HA 0.305 4.475 4.170 0.000 0.000 0.283 261 I C -0.487 175.617 176.117 -0.021 0.000 1.016 261 I CA -0.419 60.855 61.300 -0.042 0.000 1.151 261 I CB 1.064 39.037 38.000 -0.045 0.000 1.293 261 I HN -0.305 nan 8.210 nan 0.000 0.458 262 L N 6.140 127.355 121.223 -0.013 0.000 2.330 262 L HA 0.594 4.934 4.340 0.000 0.000 0.271 262 L C -0.920 175.943 176.870 -0.012 0.000 1.013 262 L CA -1.124 53.709 54.840 -0.012 0.000 0.816 262 L CB 1.700 43.749 42.059 -0.016 0.000 1.287 262 L HN 0.334 nan 8.230 nan 0.000 0.435 263 L N 2.941 124.157 121.223 -0.011 0.000 2.301 263 L HA 0.468 4.808 4.340 0.000 0.000 0.278 263 L C -2.312 174.551 176.870 -0.012 0.000 1.022 263 L CA -1.310 53.526 54.840 -0.006 0.000 0.854 263 L CB 0.735 42.795 42.059 0.001 0.000 1.226 263 L HN 0.247 nan 8.230 nan 0.000 0.429 264 P HA 0.145 nan 4.420 nan 0.000 0.268 264 P C -0.106 177.187 177.300 -0.012 0.000 1.205 264 P CA -0.270 62.816 63.100 -0.024 0.000 0.771 264 P CB 0.730 32.418 31.700 -0.019 0.000 0.858 297 L N 2.220 123.442 121.223 -0.002 0.000 2.360 297 L HA 0.927 5.267 4.340 0.000 0.000 0.271 297 L C 0.605 177.477 176.870 0.003 0.000 1.057 297 L CA -1.448 53.389 54.840 -0.005 0.000 0.803 297 L CB 2.010 44.059 42.059 -0.018 0.000 1.207 297 L HN 0.681 nan 8.230 nan 0.000 0.445 298 V N 0.638 120.557 119.914 0.008 0.000 2.876 298 V HA 0.567 4.687 4.120 0.000 0.000 0.312 298 V C -0.726 175.393 176.094 0.041 0.000 1.085 298 V CA -0.827 61.492 62.300 0.033 0.000 0.945 298 V CB 2.058 33.902 31.823 0.035 0.000 1.017 298 V HN 0.549 nan 8.190 nan 0.000 0.428 299 L N 5.273 126.552 121.223 0.094 0.000 2.287 299 L HA 0.719 5.059 4.340 0.000 0.000 0.287 299 L C -0.088 176.952 176.870 0.283 0.000 1.022 299 L CA -0.449 54.444 54.840 0.088 0.000 0.814 299 L CB 1.425 43.514 42.059 0.050 0.000 1.217 299 L HN 0.867 nan 8.230 nan 0.000 0.420 300 I N -1.417 119.287 120.570 0.223 0.000 3.445 300 I HA 0.635 4.805 4.170 0.000 0.000 0.303 300 I C -0.555 175.784 176.117 0.370 0.000 1.129 300 I CA -0.817 60.694 61.300 0.351 0.000 0.989 300 I CB 1.627 39.737 38.000 0.184 0.000 1.314 300 I HN 0.450 nan 8.210 nan 0.000 0.488 301 D N 0.980 121.597 120.400 0.362 0.000 3.278 301 D HA -0.225 4.415 4.640 0.000 0.000 0.233 301 D C -0.658 175.771 176.300 0.216 0.000 1.149 301 D CA 0.629 54.804 54.000 0.292 0.000 0.957 301 D CB -0.722 40.217 40.800 0.231 0.000 0.913 301 D HN 0.519 nan 8.370 nan 0.000 0.409 302 F N 1.320 121.353 119.950 0.139 0.000 2.843 302 F HA 0.157 4.684 4.527 0.000 0.000 0.290 302 F C 1.902 177.664 175.800 -0.064 0.000 1.221 302 F CA -0.046 57.896 58.000 -0.096 0.000 1.413 302 F CB 0.073 39.093 39.000 0.034 0.000 1.019 302 F HN 0.214 nan 8.300 nan 0.000 0.512 303 E N 0.179 120.434 120.200 0.091 0.000 2.130 303 E HA -0.254 4.096 4.350 0.000 0.000 0.196 303 E C 0.961 177.354 176.600 -0.345 0.000 0.998 303 E CA 1.965 58.275 56.400 -0.150 0.000 0.806 303 E CB -0.272 29.195 29.700 -0.389 0.000 0.738 303 E HN 0.559 nan 8.360 nan 0.000 0.459 304 Y N -0.794 119.477 120.300 -0.050 0.000 2.507 304 Y HA 0.515 5.065 4.550 0.000 0.000 0.254 304 Y C 0.470 176.097 175.900 -0.455 0.000 1.171 304 Y CA -0.070 57.988 58.100 -0.070 0.000 1.238 304 Y CB 0.061 38.636 38.460 0.192 0.000 1.148 304 Y HN 0.036 nan 8.280 nan 0.000 0.525 305 A N 1.175 123.792 122.820 -0.338 0.000 2.483 305 A HA 0.531 4.851 4.320 0.000 0.000 0.238 305 A C 0.551 177.807 177.584 -0.547 0.000 1.070 305 A CA 0.777 52.534 52.037 -0.467 0.000 0.770 305 A CB -0.010 18.869 19.000 -0.203 0.000 1.008 305 A HN 0.380 nan 8.150 nan 0.000 0.497 306 S N 0.594 115.913 115.700 -0.635 0.000 2.656 306 S HA 0.480 4.950 4.470 0.000 0.000 0.265 306 S C -1.060 173.338 174.600 -0.337 0.000 1.110 306 S CA -0.815 57.162 58.200 -0.373 0.000 0.821 306 S CB -0.024 62.858 63.200 -0.530 0.000 1.099 306 S HN 0.617 nan 8.310 nan 0.000 0.471 307 Y N 1.800 122.063 120.300 -0.063 0.000 2.397 307 Y HA 0.654 5.204 4.550 0.000 0.000 0.335 307 Y C 0.959 176.740 175.900 -0.197 0.000 1.213 307 Y CA 1.292 59.347 58.100 -0.075 0.000 1.391 307 Y CB 0.815 39.271 38.460 -0.006 0.000 1.293 307 Y HN 0.947 nan 8.280 nan 0.000 0.557 308 N N 0.197 118.784 118.700 -0.189 0.000 3.348 308 N HA 0.146 4.886 4.740 0.000 0.000 0.233 308 N C -2.017 173.258 175.510 -0.392 0.000 1.440 308 N CA -1.022 51.836 53.050 -0.321 0.000 0.887 308 N CB 0.423 38.728 38.487 -0.303 0.000 1.410 308 N HN 0.321 nan 8.380 nan 0.000 0.502 309 Y N 1.838 121.997 120.300 -0.234 0.000 2.620 309 Y HA 0.069 4.619 4.550 0.000 0.000 0.330 309 Y C 2.016 177.630 175.900 -0.477 0.000 1.186 309 Y CA 0.392 58.293 58.100 -0.331 0.000 1.467 309 Y CB 0.542 38.704 38.460 -0.497 0.000 1.262 309 Y HN 0.470 nan 8.280 nan 0.000 0.550 310 R N 1.482 121.777 120.500 -0.342 0.000 2.152 310 R HA -0.139 4.201 4.340 0.000 0.000 0.232 310 R C 1.797 177.596 176.300 -0.835 0.000 1.117 310 R CA 1.259 56.962 56.100 -0.662 0.000 0.981 310 R CB -0.599 29.416 30.300 -0.475 0.000 0.870 310 R HN 0.685 nan 8.270 nan 0.000 0.451 311 A N 1.106 123.646 122.820 -0.466 0.000 1.972 311 A HA -0.146 4.174 4.320 0.000 0.000 0.219 311 A C 1.929 179.262 177.584 -0.418 0.000 1.169 311 A CA 1.059 52.931 52.037 -0.275 0.000 0.635 311 A CB -0.663 18.219 19.000 -0.196 0.000 0.810 311 A HN 0.507 nan 8.150 nan 0.000 0.446 312 F N 0.916 120.392 119.950 -0.789 0.000 2.134 312 F HA -0.161 4.366 4.527 0.000 0.000 0.299 312 F C 1.867 177.506 175.800 -0.268 0.000 1.097 312 F CA 1.989 59.735 58.000 -0.424 0.000 1.264 312 F CB -0.175 38.619 39.000 -0.344 0.000 1.001 312 F HN 0.226 nan 8.300 nan 0.000 0.479 313 D N 0.031 120.248 120.400 -0.306 0.000 2.104 313 D HA -0.193 4.447 4.640 0.000 0.000 0.194 313 D C 2.232 178.315 176.300 -0.362 0.000 0.994 313 D CA 1.573 55.394 54.000 -0.299 0.000 0.830 313 D CB -0.373 40.300 40.800 -0.210 0.000 0.959 313 D HN 0.236 nan 8.370 nan 0.000 0.452 314 F N 1.225 121.002 119.950 -0.287 0.000 2.051 314 F HA -0.050 4.477 4.527 0.000 0.000 0.296 314 F C 2.571 177.897 175.800 -0.789 0.000 1.122 314 F CA 0.800 58.421 58.000 -0.632 0.000 1.201 314 F CB -1.414 37.455 39.000 -0.219 0.000 0.978 314 F HN -0.075 nan 8.300 nan 0.000 0.472 315 A N 0.181 122.930 122.820 -0.118 0.000 1.883 315 A HA -0.294 4.026 4.320 0.000 0.000 0.217 315 A C 2.083 179.554 177.584 -0.188 0.000 1.186 315 A CA 2.229 54.259 52.037 -0.012 0.000 0.624 315 A CB -1.326 17.738 19.000 0.106 0.000 0.822 315 A HN 0.458 nan 8.150 nan 0.000 0.444 316 N N -1.279 117.179 118.700 -0.404 0.000 2.166 316 N HA -0.223 4.517 4.740 0.000 0.000 0.186 316 N C 1.695 177.095 175.510 -0.183 0.000 1.019 316 N CA 1.984 54.828 53.050 -0.342 0.000 0.856 316 N CB -0.350 37.812 38.487 -0.542 0.000 0.993 316 N HN 0.678 nan 8.380 nan 0.000 0.426 317 H N -0.854 117.997 119.070 -0.365 0.000 2.357 317 H HA -0.031 4.526 4.556 0.000 0.000 0.301 317 H C 1.288 176.470 175.328 -0.244 0.000 1.082 317 H CA 1.822 57.682 56.048 -0.312 0.000 1.342 317 H CB -0.460 29.022 29.762 -0.467 0.000 1.389 317 H HN 0.192 nan 8.280 nan 0.000 0.511 318 F N 0.234 119.859 119.950 -0.541 0.000 2.171 318 F HA -0.083 4.444 4.527 0.000 0.000 0.300 318 F C 2.523 177.880 175.800 -0.739 0.000 1.090 318 F CA 0.821 58.201 58.000 -1.034 0.000 1.293 318 F CB -0.835 37.499 39.000 -1.109 0.000 1.013 318 F HN 0.224 nan 8.300 nan 0.000 0.486 319 I N -0.293 120.227 120.570 -0.083 0.000 2.394 319 I HA -0.201 3.969 4.170 0.000 0.000 0.251 319 I C 2.208 178.383 176.117 0.097 0.000 1.136 319 I CA 0.977 62.347 61.300 0.118 0.000 1.425 319 I CB -0.335 37.698 38.000 0.055 0.000 1.079 319 I HN 0.020 nan 8.210 nan 0.000 0.425 320 E N 0.007 120.225 120.200 0.029 0.000 2.265 320 E HA -0.220 4.130 4.350 0.000 0.000 0.196 320 E C 1.794 178.466 176.600 0.120 0.000 0.996 320 E CA 0.946 57.390 56.400 0.073 0.000 0.832 320 E CB -0.176 29.553 29.700 0.049 0.000 0.756 320 E HN 0.539 nan 8.360 nan 0.000 0.491 321 W N 0.856 122.032 121.300 -0.207 0.000 2.392 321 W HA -0.120 4.540 4.660 0.000 0.000 0.279 321 W C 2.418 178.894 176.519 -0.072 0.000 1.225 321 W CA 1.930 59.167 57.345 -0.179 0.000 1.233 321 W CB -0.810 28.492 29.460 -0.262 0.000 1.122 321 W HN 0.121 nan 8.180 nan 0.000 0.561 322 T N -2.850 111.837 114.554 0.221 0.000 3.065 322 T HA 0.191 4.541 4.350 0.000 0.000 0.252 322 T C 0.606 175.380 174.700 0.123 0.000 1.099 322 T CA 0.184 62.399 62.100 0.191 0.000 1.063 322 T CB -0.245 68.776 68.868 0.255 0.000 0.948 322 T HN -0.120 nan 8.240 nan 0.000 0.506 323 I N 2.287 122.890 120.570 0.055 0.000 2.339 323 I HA 0.444 4.614 4.170 0.000 0.000 0.290 323 I C -0.937 174.990 176.117 -0.317 0.000 0.994 323 I CA -0.950 60.301 61.300 -0.082 0.000 1.191 323 I CB 1.469 39.417 38.000 -0.086 0.000 1.343 323 I HN 0.027 nan 8.210 nan 0.000 0.458 324 D N 5.371 125.623 120.400 -0.247 0.000 2.308 324 D HA 0.247 4.887 4.640 0.000 0.000 0.242 324 D C -0.223 175.944 176.300 -0.223 0.000 1.059 324 D CA -0.273 53.607 54.000 -0.201 0.000 0.830 324 D CB 1.091 41.873 40.800 -0.031 0.000 1.161 324 D HN 0.320 nan 8.370 nan 0.000 0.494 325 Y N 0.761 121.159 120.300 0.163 0.000 2.457 325 Y HA 0.191 4.742 4.550 0.000 0.000 0.263 325 Y C 0.610 176.610 175.900 0.166 0.000 1.164 325 Y CA -0.328 57.892 58.100 0.201 0.000 1.274 325 Y CB 0.490 38.997 38.460 0.078 0.000 1.097 325 Y HN 0.312 nan 8.280 nan 0.000 0.523 326 D N 1.481 122.006 120.400 0.208 0.000 2.845 326 D HA 0.154 4.794 4.640 0.000 0.000 0.235 326 D C -0.371 176.010 176.300 0.135 0.000 1.158 326 D CA 0.468 54.559 54.000 0.152 0.000 0.990 326 D CB 0.096 40.956 40.800 0.100 0.000 1.094 326 D HN 0.081 nan 8.370 nan 0.000 0.486 327 I N 1.175 121.857 120.570 0.187 0.000 2.418 327 I HA 0.108 4.278 4.170 0.000 0.000 0.287 327 I C 1.073 177.337 176.117 0.244 0.000 1.008 327 I CA -0.641 60.751 61.300 0.154 0.000 1.104 327 I CB 1.960 40.021 38.000 0.101 0.000 1.264 327 I HN -0.106 nan 8.210 nan 0.000 0.438 328 D N 3.863 124.369 120.400 0.178 0.000 2.234 328 D HA -0.039 4.602 4.640 0.000 0.000 0.205 328 D C 0.944 177.428 176.300 0.307 0.000 0.962 328 D CA 0.957 55.097 54.000 0.234 0.000 0.855 328 D CB 0.593 41.468 40.800 0.125 0.000 0.951 328 D HN 0.750 nan 8.370 nan 0.000 0.500 329 E N 0.734 120.968 120.200 0.057 0.000 2.222 329 E HA 0.618 4.968 4.350 0.000 0.000 0.272 329 E C -0.278 175.861 176.600 -0.769 0.000 0.982 329 E CA -0.530 55.745 56.400 -0.209 0.000 0.842 329 E CB 0.985 30.586 29.700 -0.164 0.000 1.144 329 E HN 0.173 nan 8.360 nan 0.000 0.397 330 A N 2.197 124.294 122.820 -1.206 0.000 2.507 330 A HA 0.427 4.747 4.320 0.000 0.000 0.235 330 A C -1.080 176.052 177.584 -0.754 0.000 1.070 330 A CA -0.159 51.019 52.037 -1.432 0.000 0.768 330 A CB -0.040 18.438 19.000 -0.869 0.000 1.011 330 A HN 0.647 nan 8.150 nan 0.000 0.502 331 P HA 0.122 nan 4.420 nan 0.000 0.253 331 P C -0.490 176.460 177.300 -0.585 0.000 1.281 331 P CA 0.144 62.856 63.100 -0.647 0.000 0.792 331 P CB -0.360 31.085 31.700 -0.424 0.000 1.193 332 F N -2.638 117.142 119.950 -0.284 0.000 2.937 332 F HA -0.188 4.339 4.527 0.000 0.000 0.290 332 F C 0.019 175.900 175.800 0.134 0.000 0.802 332 F CA 0.481 58.433 58.000 -0.079 0.000 1.336 332 F CB -3.038 35.970 39.000 0.013 0.000 1.438 332 F HN 0.220 nan 8.300 nan 0.000 0.469 333 Y N -1.933 118.410 120.300 0.072 0.000 2.620 333 Y HA 0.698 5.249 4.550 0.000 0.000 0.331 333 Y C -1.207 174.714 175.900 0.035 0.000 1.173 333 Y CA -2.159 56.027 58.100 0.142 0.000 1.076 333 Y CB 1.481 40.131 38.460 0.316 0.000 1.336 333 Y HN 0.063 nan 8.280 nan 0.000 0.459 334 K N 3.386 123.853 120.400 0.112 0.000 2.482 334 K HA 0.699 5.019 4.320 0.000 0.000 0.251 334 K C -2.038 174.652 176.600 0.149 0.000 0.936 334 K CA -0.685 55.621 56.287 0.030 0.000 0.791 334 K CB 1.797 34.284 32.500 -0.021 0.000 1.213 334 K HN 0.866 nan 8.250 nan 0.000 0.428 335 I N 3.752 124.426 120.570 0.173 0.000 2.378 335 I HA 0.241 4.411 4.170 0.000 0.000 0.291 335 I C -0.524 175.665 176.117 0.121 0.000 0.992 335 I CA -0.640 60.767 61.300 0.179 0.000 1.154 335 I CB 1.909 40.048 38.000 0.233 0.000 1.315 335 I HN 0.510 nan 8.210 nan 0.000 0.448 336 Q N 4.252 124.126 119.800 0.122 0.000 2.771 336 Q HA 0.154 4.494 4.340 0.000 0.000 0.247 336 Q C 0.930 177.015 176.000 0.142 0.000 0.986 336 Q CA -0.299 55.569 55.803 0.108 0.000 0.713 336 Q CB 1.533 30.325 28.738 0.090 0.000 1.241 336 Q HN 0.864 nan 8.270 nan 0.000 0.488 337 T N -1.798 112.841 114.554 0.143 0.000 2.822 337 T HA -0.247 4.103 4.350 0.000 0.000 0.270 337 T C 1.502 176.304 174.700 0.170 0.000 1.064 337 T CA 1.728 63.929 62.100 0.168 0.000 1.131 337 T CB 0.002 68.949 68.868 0.131 0.000 0.858 337 T HN 0.612 nan 8.240 nan 0.000 0.483 338 E N 1.884 122.163 120.200 0.132 0.000 2.333 338 E HA -0.160 4.190 4.350 0.000 0.000 0.198 338 E C 1.329 178.021 176.600 0.154 0.000 1.007 338 E CA 1.079 57.552 56.400 0.122 0.000 0.845 338 E CB -0.865 28.889 29.700 0.089 0.000 0.766 338 E HN 0.745 nan 8.360 nan 0.000 0.507 339 N N -0.175 118.634 118.700 0.182 0.000 2.398 339 N HA 0.044 4.784 4.740 0.000 0.000 0.188 339 N C -0.251 175.416 175.510 0.262 0.000 1.122 339 N CA -0.421 52.755 53.050 0.211 0.000 0.866 339 N CB -0.047 38.554 38.487 0.191 0.000 0.970 339 N HN 0.025 nan 8.380 nan 0.000 0.462 340 F N 3.918 123.911 119.950 0.070 0.000 2.607 340 F HA 0.062 4.589 4.527 0.000 0.000 0.374 340 F C -1.686 173.999 175.800 -0.192 0.000 1.104 340 F CA -2.086 55.875 58.000 -0.064 0.000 1.296 340 F CB 0.434 39.380 39.000 -0.089 0.000 1.085 340 F HN 0.006 nan 8.300 nan 0.000 0.584 341 P HA -0.061 nan 4.420 nan 0.000 0.266 341 P C -0.804 176.254 177.300 -0.405 0.000 1.195 341 P CA 0.105 62.627 63.100 -0.964 0.000 0.768 341 P CB 0.578 31.060 31.700 -2.030 0.000 0.838 342 E N 2.122 122.191 120.200 -0.218 0.000 2.392 342 E HA -0.003 4.347 4.350 0.000 0.000 0.256 342 E C 1.156 177.659 176.600 -0.162 0.000 1.145 342 E CA -0.309 56.036 56.400 -0.092 0.000 0.929 342 E CB 0.289 29.971 29.700 -0.031 0.000 0.998 342 E HN 0.445 nan 8.360 nan 0.000 0.442 343 N N 1.134 119.783 118.700 -0.084 0.000 2.036 343 N HA -0.193 4.547 4.740 0.000 0.000 0.195 343 N C 0.957 176.406 175.510 -0.102 0.000 1.037 343 N CA 1.746 54.743 53.050 -0.088 0.000 0.855 343 N CB 0.092 38.562 38.487 -0.028 0.000 1.033 343 N HN 0.349 nan 8.380 nan 0.000 0.423 344 D N -0.169 120.202 120.400 -0.049 0.000 2.263 344 D HA -0.121 4.519 4.640 0.000 0.000 0.208 344 D C 1.678 177.950 176.300 -0.047 0.000 0.971 344 D CA 0.752 54.745 54.000 -0.012 0.000 0.867 344 D CB -0.129 40.696 40.800 0.041 0.000 0.929 344 D HN 0.557 nan 8.370 nan 0.000 0.492 345 Q N -0.267 119.462 119.800 -0.118 0.000 2.083 345 Q HA 0.036 4.376 4.340 0.000 0.000 0.198 345 Q C 2.315 178.139 176.000 -0.294 0.000 0.969 345 Q CA 0.668 56.389 55.803 -0.137 0.000 0.838 345 Q CB 0.035 28.682 28.738 -0.151 0.000 0.900 345 Q HN 0.292 nan 8.270 nan 0.000 0.436 346 M N 0.273 119.546 119.600 -0.544 0.000 2.159 346 M HA -0.164 4.316 4.480 0.000 0.000 0.263 346 M C 2.083 178.147 176.300 -0.393 0.000 1.063 346 M CA 1.265 56.064 55.300 -0.835 0.000 1.110 346 M CB -0.227 31.837 32.600 -0.894 0.000 1.374 346 M HN 0.245 nan 8.290 nan 0.000 0.411 347 L N -0.215 120.925 121.223 -0.139 0.000 2.017 347 L HA -0.208 4.132 4.340 0.000 0.000 0.208 347 L C 2.620 179.518 176.870 0.046 0.000 1.073 347 L CA 1.091 55.937 54.840 0.009 0.000 0.745 347 L CB -0.653 41.371 42.059 -0.059 0.000 0.894 347 L HN 0.276 nan 8.230 nan 0.000 0.432 348 E N -0.270 119.949 120.200 0.033 0.000 2.085 348 E HA -0.256 4.094 4.350 0.000 0.000 0.194 348 E C 1.982 178.633 176.600 0.085 0.000 0.994 348 E CA 1.318 57.764 56.400 0.077 0.000 0.801 348 E CB -0.367 29.382 29.700 0.082 0.000 0.743 348 E HN 0.382 nan 8.360 nan 0.000 0.453 349 F N 0.699 120.576 119.950 -0.121 0.000 2.095 349 F HA -0.239 4.289 4.527 0.000 0.000 0.298 349 F C 2.023 177.752 175.800 -0.119 0.000 1.104 349 F CA 1.344 59.261 58.000 -0.139 0.000 1.232 349 F CB -0.290 38.572 39.000 -0.231 0.000 0.987 349 F HN -0.090 nan 8.300 nan 0.000 0.475 350 F N 0.329 120.418 119.950 0.232 0.000 2.234 350 F HA -0.127 4.400 4.527 0.000 0.000 0.299 350 F C 2.224 178.069 175.800 0.075 0.000 1.087 350 F CA 0.865 58.914 58.000 0.082 0.000 1.340 350 F CB -1.238 37.744 39.000 -0.030 0.000 1.031 350 F HN -0.016 nan 8.300 nan 0.000 0.500 351 L N -0.281 121.068 121.223 0.210 0.000 2.012 351 L HA -0.273 4.067 4.340 0.000 0.000 0.210 351 L C 2.364 179.294 176.870 0.100 0.000 1.073 351 L CA 1.384 56.308 54.840 0.141 0.000 0.748 351 L CB -0.680 41.450 42.059 0.119 0.000 0.891 351 L HN 0.161 nan 8.230 nan 0.000 0.431 352 N N -0.665 118.062 118.700 0.045 0.000 2.106 352 N HA -0.239 4.501 4.740 0.000 0.000 0.188 352 N C 1.816 177.321 175.510 -0.009 0.000 1.029 352 N CA 1.461 54.501 53.050 -0.017 0.000 0.848 352 N CB -0.434 37.995 38.487 -0.097 0.000 1.007 352 N HN 0.324 nan 8.380 nan 0.000 0.423 353 Y N 2.037 122.251 120.300 -0.144 0.000 2.097 353 Y HA -0.133 4.418 4.550 0.000 0.000 0.282 353 Y C 2.335 178.254 175.900 0.032 0.000 1.152 353 Y CA 1.478 59.532 58.100 -0.077 0.000 1.136 353 Y CB -0.546 37.906 38.460 -0.014 0.000 0.975 353 Y HN -0.046 nan 8.280 nan 0.000 0.498 354 L N 0.086 121.447 121.223 0.231 0.000 2.083 354 L HA -0.213 4.127 4.340 0.000 0.000 0.209 354 L C 2.775 179.650 176.870 0.007 0.000 1.083 354 L CA 1.712 56.619 54.840 0.111 0.000 0.752 354 L CB -0.537 41.628 42.059 0.178 0.000 0.899 354 L HN 0.217 nan 8.230 nan 0.000 0.433 355 R N 0.243 120.753 120.500 0.017 0.000 2.092 355 R HA -0.216 4.124 4.340 0.000 0.000 0.231 355 R C 2.201 178.477 176.300 -0.040 0.000 1.119 355 R CA 1.511 57.610 56.100 -0.002 0.000 0.970 355 R CB 0.011 30.317 30.300 0.011 0.000 0.864 355 R HN 0.169 nan 8.270 nan 0.000 0.440 356 E N 0.741 120.893 120.200 -0.079 0.000 2.106 356 E HA -0.172 4.178 4.350 0.000 0.000 0.192 356 E C 1.758 178.285 176.600 -0.121 0.000 0.984 356 E CA 1.509 57.848 56.400 -0.102 0.000 0.806 356 E CB 0.036 29.655 29.700 -0.134 0.000 0.750 356 E HN 0.412 nan 8.360 nan 0.000 0.458 357 Q N -0.890 118.806 119.800 -0.174 0.000 2.291 357 Q HA -0.013 4.328 4.340 0.000 0.000 0.205 357 Q C 1.197 177.156 176.000 -0.067 0.000 0.970 357 Q CA 0.824 56.539 55.803 -0.146 0.000 0.876 357 Q CB 0.045 28.666 28.738 -0.195 0.000 0.935 357 Q HN 0.485 nan 8.270 nan 0.000 0.455 358 G N 1.641 110.413 108.800 -0.048 0.000 2.168 358 G HA2 -0.257 3.704 3.960 0.000 0.000 0.257 358 G HA3 -0.257 3.704 3.960 0.000 0.000 0.257 358 G C 0.376 175.272 174.900 -0.007 0.000 0.997 358 G CA 0.599 45.686 45.100 -0.022 0.000 0.708 358 G HN 0.347 nan 8.290 nan 0.000 0.520 359 N N 0.049 118.748 118.700 -0.002 0.000 2.214 359 N HA 0.132 4.872 4.740 0.000 0.000 0.214 359 N C -0.069 175.454 175.510 0.021 0.000 1.132 359 N CA 0.529 53.586 53.050 0.012 0.000 0.856 359 N CB 0.904 39.403 38.487 0.018 0.000 1.020 359 N HN 0.341 nan 8.380 nan 0.000 0.509 360 T N 0.505 115.072 114.554 0.022 0.000 2.841 360 T HA 0.446 4.796 4.350 0.000 0.000 0.285 360 T C 0.416 175.134 174.700 0.030 0.000 0.991 360 T CA -0.588 61.531 62.100 0.032 0.000 0.966 360 T CB 1.818 70.713 68.868 0.045 0.000 0.962 360 T HN 0.242 nan 8.240 nan 0.000 0.438 361 R N 1.727 122.246 120.500 0.031 0.000 2.537 361 R HA 0.235 4.575 4.340 0.000 0.000 0.280 361 R C 1.181 177.504 176.300 0.038 0.000 1.058 361 R CA -0.047 56.071 56.100 0.029 0.000 1.057 361 R CB -0.594 29.722 30.300 0.027 0.000 0.973 361 R HN 0.920 nan 8.270 nan 0.000 0.438 362 E N 1.756 121.977 120.200 0.034 0.000 2.147 362 E HA -0.238 4.112 4.350 0.000 0.000 0.199 362 E C 1.383 178.014 176.600 0.051 0.000 1.005 362 E CA 2.422 58.847 56.400 0.041 0.000 0.810 362 E CB 0.101 29.820 29.700 0.032 0.000 0.736 362 E HN 0.870 nan 8.360 nan 0.000 0.460 363 N N -0.098 118.629 118.700 0.045 0.000 2.521 363 N HA -0.094 4.646 4.740 0.000 0.000 0.188 363 N C 0.426 175.974 175.510 0.063 0.000 1.146 363 N CA 0.588 53.667 53.050 0.048 0.000 0.893 363 N CB 0.152 38.660 38.487 0.035 0.000 0.975 363 N HN 0.312 nan 8.380 nan 0.000 0.451 364 E N -0.138 120.103 120.200 0.067 0.000 2.601 364 E HA 0.238 4.588 4.350 0.000 0.000 0.219 364 E C 1.458 178.109 176.600 0.086 0.000 0.964 364 E CA -0.268 56.175 56.400 0.073 0.000 1.050 364 E CB 0.467 30.198 29.700 0.053 0.000 1.068 364 E HN 0.159 nan 8.360 nan 0.000 0.496 365 L N 0.384 121.666 121.223 0.098 0.000 1.970 365 L HA -0.227 4.113 4.340 0.000 0.000 0.212 365 L C 2.428 179.369 176.870 0.118 0.000 1.071 365 L CA 1.669 56.572 54.840 0.105 0.000 0.751 365 L CB -0.547 41.578 42.059 0.110 0.000 0.889 365 L HN 0.232 nan 8.230 nan 0.000 0.432 366 Y N 0.985 121.317 120.300 0.052 0.000 2.081 366 Y HA -0.318 4.232 4.550 0.000 0.000 0.280 366 Y C 2.692 178.622 175.900 0.049 0.000 1.163 366 Y CA 1.729 59.861 58.100 0.054 0.000 1.135 366 Y CB -0.038 38.447 38.460 0.042 0.000 0.970 366 Y HN -0.010 nan 8.280 nan 0.000 0.498 367 K N 0.462 120.942 120.400 0.132 0.000 2.057 367 K HA -0.163 4.157 4.320 0.000 0.000 0.207 367 K C 2.111 178.699 176.600 -0.021 0.000 1.049 367 K CA 1.504 57.825 56.287 0.057 0.000 0.931 367 K CB -0.419 32.138 32.500 0.094 0.000 0.714 367 K HN 0.354 nan 8.250 nan 0.000 0.440 368 K N 0.584 120.983 120.400 -0.002 0.000 2.097 368 K HA -0.035 4.285 4.320 0.000 0.000 0.206 368 K C 2.206 178.756 176.600 -0.082 0.000 1.049 368 K CA 1.131 57.406 56.287 -0.021 0.000 0.933 368 K CB 0.059 32.569 32.500 0.018 0.000 0.717 368 K HN -0.006 nan 8.250 nan 0.000 0.442 369 S N 1.177 116.828 115.700 -0.082 0.000 2.382 369 S HA -0.154 4.317 4.470 0.000 0.000 0.228 369 S C 1.582 176.088 174.600 -0.157 0.000 1.027 369 S CA 1.266 59.413 58.200 -0.089 0.000 0.991 369 S CB -0.157 63.020 63.200 -0.039 0.000 0.823 369 S HN 0.365 nan 8.310 nan 0.000 0.469 370 E N 1.020 121.097 120.200 -0.205 0.000 2.077 370 E HA -0.166 4.185 4.350 0.000 0.000 0.193 370 E C 1.495 178.028 176.600 -0.112 0.000 0.989 370 E CA 1.224 57.528 56.400 -0.161 0.000 0.800 370 E CB -0.223 29.391 29.700 -0.142 0.000 0.746 370 E HN 0.432 nan 8.360 nan 0.000 0.452 371 D N 0.841 121.174 120.400 -0.112 0.000 2.178 371 D HA -0.125 4.515 4.640 0.000 0.000 0.201 371 D C 2.048 178.251 176.300 -0.161 0.000 0.980 371 D CA 0.698 54.642 54.000 -0.093 0.000 0.842 371 D CB -0.169 40.593 40.800 -0.062 0.000 0.948 371 D HN 0.163 nan 8.370 nan 0.000 0.472 372 L N 0.374 121.394 121.223 -0.338 0.000 2.093 372 L HA -0.134 4.206 4.340 0.000 0.000 0.208 372 L C 2.459 179.025 176.870 -0.507 0.000 1.085 372 L CA 0.481 54.902 54.840 -0.698 0.000 0.755 372 L CB -0.135 40.934 42.059 -1.650 0.000 0.904 372 L HN -0.059 nan 8.230 nan 0.000 0.435 373 V N -0.725 119.077 119.914 -0.187 0.000 2.295 373 V HA -0.283 3.838 4.120 0.000 0.000 0.246 373 V C 2.514 178.657 176.094 0.082 0.000 1.049 373 V CA 1.510 63.884 62.300 0.124 0.000 1.024 373 V CB -0.507 31.375 31.823 0.098 0.000 0.648 373 V HN 0.479 nan 8.190 nan 0.000 0.447 374 Q N -0.157 119.655 119.800 0.020 0.000 2.119 374 Q HA -0.216 4.124 4.340 0.000 0.000 0.201 374 Q C 2.216 178.257 176.000 0.068 0.000 0.972 374 Q CA 1.703 57.529 55.803 0.038 0.000 0.847 374 Q CB -0.400 28.347 28.738 0.014 0.000 0.903 374 Q HN 0.818 nan 8.270 nan 0.000 0.433 375 E N 0.029 120.261 120.200 0.054 0.000 2.150 375 E HA -0.127 4.224 4.350 0.000 0.000 0.193 375 E C 1.281 178.027 176.600 0.243 0.000 0.985 375 E CA 1.366 57.834 56.400 0.114 0.000 0.814 375 E CB 0.272 30.006 29.700 0.056 0.000 0.752 375 E HN 0.243 nan 8.360 nan 0.000 0.466 376 T N 1.328 116.034 114.554 0.253 0.000 2.896 376 T HA -0.007 4.343 4.350 0.000 0.000 0.263 376 T C 1.901 176.814 174.700 0.355 0.000 1.050 376 T CA 0.656 62.989 62.100 0.389 0.000 1.140 376 T CB -0.115 69.064 68.868 0.519 0.000 0.877 376 T HN 0.139 nan 8.240 nan 0.000 0.457 377 L N 0.987 122.351 121.223 0.236 0.000 2.021 377 L HA -0.127 4.213 4.340 0.000 0.000 0.215 377 L C -0.585 176.351 176.870 0.109 0.000 1.074 377 L CA 1.619 56.547 54.840 0.147 0.000 0.760 377 L CB -1.786 40.318 42.059 0.075 0.000 0.889 377 L HN 0.200 nan 8.230 nan 0.000 0.433 378 P HA -0.168 nan 4.420 nan 0.000 0.221 378 P C 1.208 178.402 177.300 -0.177 0.000 1.145 378 P CA 1.419 64.475 63.100 -0.073 0.000 0.795 378 P CB -0.032 31.569 31.700 -0.165 0.000 0.775 379 F N -2.072 117.933 119.950 0.092 0.000 2.797 379 F HA -0.015 4.512 4.527 0.000 0.000 0.302 379 F C 2.080 177.933 175.800 0.089 0.000 1.130 379 F CA 0.267 58.339 58.000 0.120 0.000 1.387 379 F CB -0.740 38.338 39.000 0.131 0.000 1.107 379 F HN -0.276 nan 8.300 nan 0.000 0.577 380 V N 2.240 122.256 119.914 0.171 0.000 2.255 380 V HA -0.224 3.896 4.120 0.000 0.000 0.247 380 V C -0.118 176.060 176.094 0.140 0.000 1.051 380 V CA 2.130 64.474 62.300 0.073 0.000 1.018 380 V CB -1.585 30.221 31.823 -0.028 0.000 0.641 380 V HN 0.147 nan 8.190 nan 0.000 0.445 381 P HA -0.062 nan 4.420 nan 0.000 0.221 381 P C 1.829 179.422 177.300 0.488 0.000 1.150 381 P CA 1.152 64.515 63.100 0.438 0.000 0.800 381 P CB 0.008 31.884 31.700 0.292 0.000 0.787 382 V N 0.753 120.872 119.914 0.342 0.000 2.295 382 V HA -0.203 3.917 4.120 0.000 0.000 0.246 382 V C 3.030 179.437 176.094 0.522 0.000 1.049 382 V CA 2.450 64.986 62.300 0.393 0.000 1.024 382 V CB -1.564 30.498 31.823 0.398 0.000 0.648 382 V HN 0.261 nan 8.190 nan 0.000 0.447 383 S N -1.079 114.872 115.700 0.418 0.000 2.356 383 S HA -0.250 4.220 4.470 0.000 0.000 0.223 383 S C 2.060 176.916 174.600 0.426 0.000 1.032 383 S CA 1.558 59.966 58.200 0.347 0.000 1.005 383 S CB -0.435 62.730 63.200 -0.058 0.000 0.867 383 S HN 0.706 nan 8.310 nan 0.000 0.449 384 H N -0.388 118.927 119.070 0.408 0.000 2.352 384 H HA -0.073 4.483 4.556 0.000 0.000 0.299 384 H C 1.925 177.431 175.328 0.296 0.000 1.097 384 H CA 1.664 57.924 56.048 0.354 0.000 1.311 384 H CB -0.903 29.057 29.762 0.331 0.000 1.377 384 H HN 0.571 nan 8.280 nan 0.000 0.504 385 F N 0.629 120.725 119.950 0.244 0.000 2.113 385 F HA -0.188 4.339 4.527 0.000 0.000 0.297 385 F C 2.496 178.340 175.800 0.072 0.000 1.103 385 F CA 0.908 58.857 58.000 -0.086 0.000 1.248 385 F CB -0.706 38.016 39.000 -0.463 0.000 0.999 385 F HN -0.008 nan 8.300 nan 0.000 0.475 386 F N -0.078 119.940 119.950 0.114 0.000 2.025 386 F HA -0.287 4.240 4.527 0.000 0.000 0.297 386 F C 1.919 177.701 175.800 -0.030 0.000 1.132 386 F CA 2.358 60.339 58.000 -0.032 0.000 1.191 386 F CB -1.082 37.836 39.000 -0.137 0.000 0.963 386 F HN 0.032 nan 8.300 nan 0.000 0.481 387 W N 0.069 121.559 121.300 0.316 0.000 2.519 387 W HA 0.054 4.714 4.660 0.000 0.000 0.266 387 W C 2.566 179.196 176.519 0.184 0.000 1.253 387 W CA 0.651 58.141 57.345 0.242 0.000 1.274 387 W CB -1.000 28.651 29.460 0.319 0.000 1.114 387 W HN 0.165 nan 8.180 nan 0.000 0.596 388 G N 0.333 109.244 108.800 0.185 0.000 2.414 388 G HA2 -0.245 3.715 3.960 0.000 0.000 0.215 388 G HA3 -0.245 3.715 3.960 0.000 0.000 0.215 388 G C 1.432 176.264 174.900 -0.114 0.000 1.188 388 G CA 1.521 46.615 45.100 -0.009 0.000 0.783 388 G HN 0.110 nan 8.290 nan 0.000 0.537 389 V N -0.374 119.361 119.914 -0.299 0.000 2.407 389 V HA -0.135 3.985 4.120 0.000 0.000 0.248 389 V C 2.240 178.251 176.094 -0.139 0.000 1.055 389 V CA 1.750 63.869 62.300 -0.303 0.000 1.049 389 V CB -0.588 31.006 31.823 -0.382 0.000 0.662 389 V HN 0.626 nan 8.190 nan 0.000 0.455 390 W N 1.478 122.614 121.300 -0.273 0.000 2.335 390 W HA -0.108 4.552 4.660 0.000 0.000 0.311 390 W C 2.335 178.740 176.519 -0.191 0.000 1.213 390 W CA 2.006 59.091 57.345 -0.433 0.000 1.274 390 W CB -0.756 28.454 29.460 -0.417 0.000 1.148 390 W HN 0.237 nan 8.180 nan 0.000 0.498 391 G N 0.841 109.789 108.800 0.246 0.000 2.446 391 G HA2 -0.297 3.663 3.960 0.000 0.000 0.217 391 G HA3 -0.297 3.663 3.960 0.000 0.000 0.217 391 G C 1.542 176.415 174.900 -0.045 0.000 1.168 391 G CA 1.401 46.646 45.100 0.241 0.000 0.771 391 G HN 0.344 nan 8.290 nan 0.000 0.551 392 L N -0.415 120.742 121.223 -0.110 0.000 2.083 392 L HA -0.034 4.306 4.340 0.000 0.000 0.209 392 L C 2.704 179.447 176.870 -0.212 0.000 1.083 392 L CA 0.559 55.298 54.840 -0.169 0.000 0.752 392 L CB -0.415 41.406 42.059 -0.396 0.000 0.899 392 L HN 0.239 nan 8.230 nan 0.000 0.433 393 L N -0.564 120.458 121.223 -0.335 0.000 2.109 393 L HA -0.152 4.188 4.340 0.000 0.000 0.207 393 L C 2.573 179.147 176.870 -0.492 0.000 1.086 393 L CA 1.576 56.199 54.840 -0.362 0.000 0.760 393 L CB -0.602 41.206 42.059 -0.418 0.000 0.910 393 L HN 0.197 nan 8.230 nan 0.000 0.437 394 Q N -0.613 118.709 119.800 -0.796 0.000 2.291 394 Q HA -0.105 4.235 4.340 0.000 0.000 0.206 394 Q C 2.323 177.880 176.000 -0.739 0.000 0.976 394 Q CA 1.415 56.580 55.803 -1.064 0.000 0.875 394 Q CB -0.536 27.007 28.738 -1.992 0.000 0.927 394 Q HN 0.471 nan 8.270 nan 0.000 0.450 395 V N 1.586 121.279 119.914 -0.368 0.000 2.324 395 V HA -0.226 3.894 4.120 0.000 0.000 0.250 395 V C 1.927 177.960 176.094 -0.102 0.000 1.060 395 V CA 1.865 64.119 62.300 -0.076 0.000 1.042 395 V CB -0.289 31.564 31.823 0.050 0.000 0.650 395 V HN 0.323 nan 8.190 nan 0.000 0.450 396 E N -0.845 119.266 120.200 -0.147 0.000 2.452 396 E HA 0.155 4.505 4.350 0.000 0.000 0.197 396 E C 1.865 178.382 176.600 -0.139 0.000 1.022 396 E CA 0.372 56.706 56.400 -0.110 0.000 0.890 396 E CB 0.492 30.145 29.700 -0.078 0.000 0.918 396 E HN 0.533 nan 8.360 nan 0.000 0.496 397 L N -0.441 120.648 121.223 -0.222 0.000 2.537 397 L HA 0.190 4.530 4.340 0.000 0.000 0.224 397 L C 1.186 177.895 176.870 -0.268 0.000 1.065 397 L CA -0.017 54.711 54.840 -0.187 0.000 0.860 397 L CB 0.490 42.445 42.059 -0.173 0.000 1.086 397 L HN -0.160 nan 8.230 nan 0.000 0.482 398 S N 1.011 116.450 115.700 -0.434 0.000 2.508 398 S HA 0.349 4.819 4.470 0.000 0.000 0.284 398 S C -1.690 172.638 174.600 -0.454 0.000 1.192 398 S CA -1.303 56.515 58.200 -0.637 0.000 1.070 398 S CB 1.183 63.986 63.200 -0.661 0.000 1.004 398 S HN -0.017 nan 8.310 nan 0.000 0.493 399 P HA 0.149 nan 4.420 nan 0.000 0.261 399 P C -0.036 177.176 177.300 -0.146 0.000 1.268 399 P CA -0.014 62.905 63.100 -0.303 0.000 0.833 399 P CB 0.060 31.571 31.700 -0.315 0.000 1.231 400 V N 1.425 121.266 119.914 -0.121 0.000 2.694 400 V HA 0.148 4.268 4.120 0.000 0.000 0.306 400 V C 1.593 177.754 176.094 0.111 0.000 1.054 400 V CA 0.570 62.906 62.300 0.061 0.000 1.161 400 V CB 0.215 32.164 31.823 0.211 0.000 0.916 400 V HN 0.159 nan 8.190 nan 0.000 0.490 401 G N 4.667 113.464 108.800 -0.006 0.000 2.916 401 G HA2 0.376 4.336 3.960 0.000 0.000 0.280 401 G HA3 0.376 4.336 3.960 0.000 0.000 0.280 401 G C -0.813 174.035 174.900 -0.086 0.000 0.758 401 G CA 0.094 45.140 45.100 -0.090 0.000 1.993 401 G HN 0.461 nan 8.290 nan 0.000 0.564 402 F N 1.154 120.969 119.950 -0.224 0.000 2.608 402 F HA 0.573 5.100 4.527 0.000 0.000 0.309 402 F C 0.394 176.011 175.800 -0.305 0.000 1.103 402 F CA -1.231 56.577 58.000 -0.320 0.000 0.954 402 F CB 2.072 40.550 39.000 -0.870 0.000 1.267 402 F HN 0.244 nan 8.300 nan 0.000 0.444 403 G N 4.284 112.765 108.800 -0.531 0.000 2.985 403 G HA2 0.150 4.111 3.960 0.000 0.000 0.282 403 G HA3 0.150 4.111 3.960 0.000 0.000 0.282 403 G C 0.377 175.164 174.900 -0.188 0.000 0.791 403 G CA -0.087 44.861 45.100 -0.253 0.000 1.934 403 G HN 0.584 nan 8.290 nan 0.000 0.563 404 F N 1.893 121.934 119.950 0.151 0.000 2.171 404 F HA -0.092 4.435 4.527 0.000 0.000 0.300 404 F C 2.752 178.670 175.800 0.196 0.000 1.090 404 F CA 1.257 59.399 58.000 0.237 0.000 1.293 404 F CB -0.229 38.841 39.000 0.117 0.000 1.013 404 F HN 0.462 nan 8.300 nan 0.000 0.486 405 A N 0.191 123.198 122.820 0.310 0.000 1.865 405 A HA -0.204 4.117 4.320 0.000 0.000 0.217 405 A C 1.990 179.710 177.584 0.226 0.000 1.191 405 A CA 2.168 54.350 52.037 0.242 0.000 0.623 405 A CB -0.897 18.225 19.000 0.202 0.000 0.826 405 A HN 0.273 nan 8.150 nan 0.000 0.444 406 D N -1.938 118.591 120.400 0.214 0.000 2.144 406 D HA -0.122 4.519 4.640 0.000 0.000 0.200 406 D C 1.676 178.171 176.300 0.325 0.000 0.978 406 D CA 1.338 55.478 54.000 0.234 0.000 0.833 406 D CB -0.446 40.469 40.800 0.192 0.000 0.961 406 D HN 0.576 nan 8.370 nan 0.000 0.470 407 Y N 1.503 121.911 120.300 0.181 0.000 2.145 407 Y HA -0.099 4.451 4.550 0.000 0.000 0.286 407 Y C 2.364 178.343 175.900 0.131 0.000 1.145 407 Y CA 1.969 60.069 58.100 -0.001 0.000 1.148 407 Y CB -0.551 37.894 38.460 -0.025 0.000 0.981 407 Y HN -0.027 nan 8.280 nan 0.000 0.507 408 G N -0.126 108.797 108.800 0.205 0.000 2.418 408 G HA2 -0.250 3.711 3.960 0.000 0.000 0.217 408 G HA3 -0.250 3.711 3.960 0.000 0.000 0.217 408 G C 1.780 176.685 174.900 0.009 0.000 1.158 408 G CA 0.890 46.035 45.100 0.074 0.000 0.771 408 G HN 0.353 nan 8.290 nan 0.000 0.545 409 R N 0.175 120.719 120.500 0.073 0.000 2.081 409 R HA -0.034 4.306 4.340 0.000 0.000 0.235 409 R C 2.247 178.594 176.300 0.078 0.000 1.131 409 R CA 1.383 57.539 56.100 0.094 0.000 0.960 409 R CB -0.265 30.115 30.300 0.135 0.000 0.856 409 R HN 0.229 nan 8.270 nan 0.000 0.436 410 D N 0.093 120.531 120.400 0.064 0.000 2.097 410 D HA -0.121 4.519 4.640 0.000 0.000 0.195 410 D C 2.069 178.357 176.300 -0.019 0.000 0.989 410 D CA 1.037 55.066 54.000 0.049 0.000 0.827 410 D CB -0.043 40.830 40.800 0.123 0.000 0.966 410 D HN 0.036 nan 8.370 nan 0.000 0.456 411 R N 0.503 120.937 120.500 -0.110 0.000 2.073 411 R HA -0.036 4.305 4.340 0.000 0.000 0.234 411 R C 2.633 178.967 176.300 0.056 0.000 1.134 411 R CA 0.342 56.428 56.100 -0.024 0.000 0.952 411 R CB -1.155 29.118 30.300 -0.045 0.000 0.850 411 R HN 0.312 nan 8.270 nan 0.000 0.433 412 L N 1.194 122.446 121.223 0.048 0.000 2.042 412 L HA -0.205 4.135 4.340 0.000 0.000 0.210 412 L C 2.570 179.571 176.870 0.218 0.000 1.076 412 L CA 1.820 56.724 54.840 0.107 0.000 0.749 412 L CB -0.613 41.500 42.059 0.091 0.000 0.893 412 L HN 0.291 nan 8.230 nan 0.000 0.432 413 S N -0.173 115.639 115.700 0.187 0.000 2.402 413 S HA -0.154 4.316 4.470 0.000 0.000 0.229 413 S C 1.918 176.564 174.600 0.078 0.000 1.021 413 S CA 0.856 59.179 58.200 0.206 0.000 0.974 413 S CB -0.632 62.635 63.200 0.112 0.000 0.800 413 S HN 0.378 nan 8.310 nan 0.000 0.484 414 L N -0.201 120.987 121.223 -0.059 0.000 2.201 414 L HA -0.010 4.330 4.340 0.000 0.000 0.212 414 L C 2.605 179.414 176.870 -0.101 0.000 1.105 414 L CA 1.451 56.137 54.840 -0.256 0.000 0.775 414 L CB -0.621 40.944 42.059 -0.822 0.000 0.913 414 L HN 0.392 nan 8.230 nan 0.000 0.440 415 Y N 0.349 120.605 120.300 -0.073 0.000 2.133 415 Y HA -0.259 4.291 4.550 0.000 0.000 0.287 415 Y C 2.199 178.041 175.900 -0.097 0.000 1.134 415 Y CA 1.374 59.476 58.100 0.003 0.000 1.133 415 Y CB -0.576 37.849 38.460 -0.057 0.000 0.987 415 Y HN -0.028 nan 8.280 nan 0.000 0.502 416 F N 0.684 120.477 119.950 -0.262 0.000 2.216 416 F HA -0.124 4.403 4.527 0.000 0.000 0.300 416 F C 2.773 178.365 175.800 -0.347 0.000 1.085 416 F CA 1.799 59.551 58.000 -0.414 0.000 1.326 416 F CB -1.149 37.755 39.000 -0.159 0.000 1.027 416 F HN -0.025 nan 8.300 nan 0.000 0.497 417 K N -0.757 119.561 120.400 -0.137 0.000 2.147 417 K HA -0.114 4.206 4.320 0.000 0.000 0.205 417 K C 1.280 177.568 176.600 -0.519 0.000 1.049 417 K CA 1.538 57.619 56.287 -0.343 0.000 0.936 417 K CB -0.745 31.478 32.500 -0.462 0.000 0.722 417 K HN 0.491 nan 8.250 nan 0.000 0.446 418 H N -1.307 117.695 119.070 -0.114 0.000 2.581 418 H HA 0.309 4.865 4.556 0.000 0.000 0.275 418 H C 1.512 176.760 175.328 -0.134 0.000 1.126 418 H CA 0.034 56.030 56.048 -0.088 0.000 1.097 418 H CB 0.579 30.335 29.762 -0.010 0.000 1.626 418 H HN 0.335 nan 8.280 nan 0.000 0.565 419 K N 1.382 121.653 120.400 -0.215 0.000 2.113 419 K HA -0.241 4.080 4.320 0.000 0.000 0.208 419 K C 2.040 178.563 176.600 -0.128 0.000 1.047 419 K CA 1.438 57.525 56.287 -0.334 0.000 0.928 419 K CB 0.376 32.510 32.500 -0.611 0.000 0.716 419 K HN 0.034 nan 8.250 nan 0.000 0.446 420 Q N 1.068 120.817 119.800 -0.086 0.000 2.181 420 Q HA -0.119 4.221 4.340 0.000 0.000 0.205 420 Q C 1.811 177.815 176.000 0.007 0.000 0.980 420 Q CA 1.531 57.318 55.803 -0.026 0.000 0.862 420 Q CB -0.220 28.503 28.738 -0.026 0.000 0.905 420 Q HN 0.458 nan 8.270 nan 0.000 0.429 421 L N -0.488 120.744 121.223 0.015 0.000 2.131 421 L HA -0.170 4.170 4.340 0.000 0.000 0.210 421 L C 2.096 178.964 176.870 -0.003 0.000 1.092 421 L CA 0.667 55.517 54.840 0.017 0.000 0.759 421 L CB -0.490 41.586 42.059 0.028 0.000 0.903 421 L HN 0.309 nan 8.230 nan 0.000 0.435 422 L N -0.166 121.056 121.223 -0.001 0.000 2.127 422 L HA -0.099 4.241 4.340 0.000 0.000 0.203 422 L C 2.704 179.558 176.870 -0.027 0.000 1.080 422 L CA 1.597 56.413 54.840 -0.039 0.000 0.768 422 L CB -0.573 41.500 42.059 0.023 0.000 0.924 422 L HN -0.063 nan 8.230 nan 0.000 0.444 423 K N -0.079 120.337 120.400 0.026 0.000 2.152 423 K HA -0.176 4.144 4.320 0.000 0.000 0.206 423 K C 1.887 178.564 176.600 0.129 0.000 1.048 423 K CA 1.844 58.158 56.287 0.044 0.000 0.933 423 K CB -1.054 31.543 32.500 0.161 0.000 0.721 423 K HN 0.736 nan 8.250 nan 0.000 0.447 424 N N 0.219 118.958 118.700 0.065 0.000 2.258 424 N HA -0.084 4.656 4.740 0.000 0.000 0.187 424 N C 1.695 177.227 175.510 0.037 0.000 1.012 424 N CA 1.428 54.505 53.050 0.046 0.000 0.870 424 N CB -0.285 38.216 38.487 0.023 0.000 0.977 424 N HN 0.249 nan 8.380 nan 0.000 0.434 425 L N 0.716 121.958 121.223 0.031 0.000 2.349 425 L HA -0.101 4.239 4.340 0.000 0.000 0.220 425 L C 1.270 178.127 176.870 -0.022 0.000 1.130 425 L CA -0.079 54.755 54.840 -0.009 0.000 0.791 425 L CB -0.495 41.532 42.059 -0.054 0.000 0.918 425 L HN 0.189 nan 8.230 nan 0.000 0.444 426 A N 0.000 122.828 122.820 0.014 0.000 2.254 426 A HA 0.000 4.320 4.320 0.000 0.000 0.244 426 A CA 0.000 52.011 52.037 -0.044 0.000 0.836 426 A CB 0.000 18.980 19.000 -0.034 0.000 0.831 426 A HN 0.000 nan 8.150 nan 0.000 0.486