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 3ph7_1_B DATA FIRST_RESID 34 DATA SEQUENCE LAFFRNMYDK YRDAFLSHLN EYSLEEEIKE HISKYYKLLF DYNCLGGKNN DATA SEQUENCE RGILVILIYE YVKNRDINSS EWEKAACLAW CIEILQAAFL VADDIMDKGE DATA SEQUENCE MRRNKYCWYL LKDVETKNAV NDVLLLYNSI YKLIEIYLRN ESCYVDVIAT DATA SEQUENCE FRDATLKTII GQHLDTNIFS DKYSDAHREI DVNNINVPXQ PVIDINMINF DATA SEQUENCE GVYKNIVIHK TAYYSFFLPI VCGMLLAGIX XDNLIYKKIE DISMLMGEYF DATA SEQUENCE QIHDDYLDIF GDSTKTGKVX SDIQNNKLTW PLIKTFELCS EPDKIKIVKN DATA SEQUENCE YGKNNLACVK VIDSLYEQYK IRKHYESYEK AQKAKILSAI NELHHEGIEY DATA SEQUENCE VLKYLLEILF TGV 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 34 L HA 0.000 nan 4.340 nan 0.000 0.249 34 L C 0.000 177.043 176.870 0.289 0.000 1.165 34 L CA 0.000 54.992 54.840 0.253 0.000 0.813 34 L CB 0.000 42.161 42.059 0.170 0.000 0.961 35 A N -0.579 122.374 122.820 0.222 0.000 1.929 35 A HA 0.106 4.434 4.320 0.012 0.000 0.216 35 A C 2.159 179.864 177.584 0.201 0.000 1.176 35 A CA 1.826 53.971 52.037 0.180 0.000 0.628 35 A CB -0.673 18.407 19.000 0.134 0.000 0.816 35 A HN 1.636 nan 8.150 nan 0.000 0.444 36 F N -0.061 119.946 119.950 0.095 0.000 2.095 36 F HA -0.205 4.329 4.527 0.012 0.000 0.298 36 F C 1.917 177.823 175.800 0.176 0.000 1.104 36 F CA 2.192 60.238 58.000 0.077 0.000 1.232 36 F CB -0.482 38.506 39.000 -0.019 0.000 0.987 36 F HN 0.273 nan 8.300 nan 0.000 0.475 37 F N 2.074 121.906 119.950 -0.196 0.000 2.095 37 F HA -0.171 4.364 4.527 0.013 0.000 0.298 37 F C 2.629 178.534 175.800 0.175 0.000 1.104 37 F CA 2.984 60.884 58.000 -0.167 0.000 1.232 37 F CB -1.324 37.649 39.000 -0.046 0.000 0.987 37 F HN -0.018 nan 8.300 nan 0.000 0.475 38 R N 0.601 121.079 120.500 -0.037 0.000 2.152 38 R HA -0.118 4.229 4.340 0.012 0.000 0.232 38 R C 1.721 178.045 176.300 0.041 0.000 1.117 38 R CA 1.830 57.951 56.100 0.034 0.000 0.981 38 R CB -1.953 28.413 30.300 0.111 0.000 0.870 38 R HN 0.534 nan 8.270 nan 0.000 0.451 39 N N -0.123 118.571 118.700 -0.011 0.000 2.416 39 N HA 0.005 4.753 4.740 0.012 0.000 0.177 39 N C 1.436 176.876 175.510 -0.118 0.000 1.036 39 N CA 1.054 54.081 53.050 -0.038 0.000 0.901 39 N CB 0.224 38.709 38.487 -0.003 0.000 0.976 39 N HN 0.275 nan 8.380 nan 0.000 0.444 40 M N -0.448 119.053 119.600 -0.165 0.000 2.492 40 M HA 0.001 4.489 4.480 0.012 0.000 0.262 40 M C 1.481 177.568 176.300 -0.356 0.000 1.090 40 M CA 0.304 55.468 55.300 -0.226 0.000 1.110 40 M CB -0.931 31.600 32.600 -0.116 0.000 1.407 40 M HN 0.117 nan 8.290 nan 0.000 0.470 41 Y N 2.364 122.327 120.300 -0.562 0.000 2.002 41 Y HA -0.342 4.215 4.550 0.012 0.000 0.268 41 Y C 1.499 176.966 175.900 -0.723 0.000 1.177 41 Y CA 2.480 59.896 58.100 -1.141 0.000 1.111 41 Y CB -0.750 37.056 38.460 -1.089 0.000 0.952 41 Y HN 0.308 nan 8.280 nan 0.000 0.491 42 D N -0.221 119.732 120.400 -0.745 0.000 2.149 42 D HA -0.200 4.448 4.640 0.012 0.000 0.198 42 D C 2.184 178.136 176.300 -0.579 0.000 0.990 42 D CA 1.835 55.449 54.000 -0.643 0.000 0.839 42 D CB -0.286 40.337 40.800 -0.294 0.000 0.948 42 D HN 0.462 nan 8.370 nan 0.000 0.460 43 K N -0.140 119.913 120.400 -0.579 0.000 2.032 43 K HA -0.211 4.117 4.320 0.012 0.000 0.209 43 K C 1.633 177.872 176.600 -0.601 0.000 1.048 43 K CA 1.213 57.154 56.287 -0.577 0.000 0.927 43 K CB -0.165 31.911 32.500 -0.706 0.000 0.712 43 K HN 0.192 nan 8.250 nan 0.000 0.441 44 Y N 0.686 120.745 120.300 -0.402 0.000 2.263 44 Y HA -0.042 4.516 4.550 0.013 0.000 0.292 44 Y C 2.600 178.249 175.900 -0.418 0.000 1.130 44 Y CA 1.232 59.129 58.100 -0.339 0.000 1.179 44 Y CB -0.514 37.730 38.460 -0.360 0.000 0.998 44 Y HN 0.103 nan 8.280 nan 0.000 0.532 45 R N 0.676 120.808 120.500 -0.613 0.000 2.070 45 R HA -0.166 4.182 4.340 0.012 0.000 0.233 45 R C 1.301 177.333 176.300 -0.446 0.000 1.137 45 R CA 2.110 57.782 56.100 -0.713 0.000 0.945 45 R CB -0.305 29.439 30.300 -0.927 0.000 0.845 45 R HN 0.275 nan 8.270 nan 0.000 0.430 46 D N 0.284 120.472 120.400 -0.354 0.000 2.224 46 D HA -0.078 4.570 4.640 0.012 0.000 0.205 46 D C 1.685 177.891 176.300 -0.157 0.000 0.965 46 D CA 1.125 54.989 54.000 -0.226 0.000 0.852 46 D CB -0.106 40.572 40.800 -0.203 0.000 0.947 46 D HN 0.388 nan 8.370 nan 0.000 0.494 47 A N 0.602 123.355 122.820 -0.111 0.000 1.902 47 A HA -0.162 4.165 4.320 0.012 0.000 0.217 47 A C 2.037 179.609 177.584 -0.020 0.000 1.181 47 A CA 0.880 52.904 52.037 -0.022 0.000 0.623 47 A CB -0.875 18.212 19.000 0.146 0.000 0.818 47 A HN 0.238 nan 8.150 nan 0.000 0.443 48 F N 0.411 120.267 119.950 -0.157 0.000 2.163 48 F HA -0.025 4.509 4.527 0.012 0.000 0.297 48 F C 1.884 177.595 175.800 -0.149 0.000 1.094 48 F CA 1.379 59.285 58.000 -0.156 0.000 1.290 48 F CB -0.208 38.639 39.000 -0.255 0.000 1.017 48 F HN 0.115 nan 8.300 nan 0.000 0.483 49 L N -0.522 120.571 121.223 -0.216 0.000 2.083 49 L HA -0.237 4.110 4.340 0.012 0.000 0.209 49 L C 2.767 179.475 176.870 -0.270 0.000 1.083 49 L CA 1.537 56.237 54.840 -0.234 0.000 0.752 49 L CB -0.995 40.992 42.059 -0.120 0.000 0.899 49 L HN 0.282 nan 8.230 nan 0.000 0.433 50 S N -0.713 114.861 115.700 -0.210 0.000 2.382 50 S HA -0.296 4.182 4.470 0.012 0.000 0.228 50 S C 2.060 176.529 174.600 -0.218 0.000 1.027 50 S CA 1.667 59.762 58.200 -0.176 0.000 0.991 50 S CB -0.300 62.828 63.200 -0.121 0.000 0.823 50 S HN 0.652 nan 8.310 nan 0.000 0.469 51 H N 1.121 119.975 119.070 -0.361 0.000 2.321 51 H HA 0.063 4.627 4.556 0.013 0.000 0.300 51 H C 1.884 176.889 175.328 -0.540 0.000 1.087 51 H CA 2.150 57.971 56.048 -0.378 0.000 1.319 51 H CB -0.504 29.013 29.762 -0.408 0.000 1.379 51 H HN 0.415 nan 8.280 nan 0.000 0.501 52 L N 0.175 120.823 121.223 -0.957 0.000 2.141 52 L HA -0.150 4.198 4.340 0.012 0.000 0.209 52 L C 2.475 178.845 176.870 -0.833 0.000 1.094 52 L CA 1.276 55.352 54.840 -1.274 0.000 0.763 52 L CB -0.551 40.997 42.059 -0.852 0.000 0.908 52 L HN 0.495 nan 8.230 nan 0.000 0.437 53 N N 0.507 118.934 118.700 -0.455 0.000 2.453 53 N HA -0.173 4.574 4.740 0.012 0.000 0.183 53 N C 1.337 176.743 175.510 -0.174 0.000 1.041 53 N CA 0.777 53.683 53.050 -0.240 0.000 0.900 53 N CB 0.224 38.609 38.487 -0.169 0.000 0.961 53 N HN 0.496 nan 8.380 nan 0.000 0.443 54 E N -0.619 119.456 120.200 -0.207 0.000 2.481 54 E HA -0.051 4.306 4.350 0.012 0.000 0.195 54 E C -0.218 176.406 176.600 0.040 0.000 1.047 54 E CA -0.014 56.336 56.400 -0.084 0.000 0.867 54 E CB 0.157 29.806 29.700 -0.084 0.000 0.858 54 E HN 0.256 nan 8.360 nan 0.000 0.513 55 Y N 1.327 121.517 120.300 -0.183 0.000 2.578 55 Y HA -0.013 4.544 4.550 0.012 0.000 0.339 55 Y C 0.940 176.790 175.900 -0.083 0.000 1.231 55 Y CA -1.018 56.999 58.100 -0.139 0.000 1.461 55 Y CB 0.531 38.910 38.460 -0.136 0.000 1.323 55 Y HN -0.227 nan 8.280 nan 0.000 0.590 56 S N 4.672 120.410 115.700 0.063 0.000 3.517 56 S HA 0.352 4.830 4.470 0.012 0.000 0.284 56 S C -0.201 174.420 174.600 0.035 0.000 1.260 56 S CA -0.235 57.979 58.200 0.022 0.000 0.975 56 S CB -0.966 62.225 63.200 -0.014 0.000 1.540 56 S HN 0.357 nan 8.310 nan 0.000 0.506 57 L N 1.490 122.741 121.223 0.047 0.000 2.371 57 L HA 0.448 4.795 4.340 0.012 0.000 0.262 57 L C 0.190 177.076 176.870 0.026 0.000 1.006 57 L CA -0.951 53.917 54.840 0.047 0.000 0.818 57 L CB 1.772 43.877 42.059 0.076 0.000 1.354 57 L HN 0.292 nan 8.230 nan 0.000 0.415 58 E N 0.783 120.998 120.200 0.024 0.000 2.414 58 E HA -0.078 4.280 4.350 0.012 0.000 0.263 58 E C 0.184 176.785 176.600 0.002 0.000 1.000 58 E CA -0.043 56.364 56.400 0.012 0.000 0.914 58 E CB 1.014 30.724 29.700 0.017 0.000 0.948 58 E HN 0.414 nan 8.360 nan 0.000 0.444 59 E N 2.031 122.223 120.200 -0.012 0.000 2.147 59 E HA -0.247 4.110 4.350 0.012 0.000 0.199 59 E C 1.685 178.250 176.600 -0.058 0.000 1.005 59 E CA 1.633 58.015 56.400 -0.030 0.000 0.810 59 E CB 0.092 29.774 29.700 -0.030 0.000 0.736 59 E HN 0.415 nan 8.360 nan 0.000 0.460 60 E N -0.694 119.468 120.200 -0.064 0.000 2.106 60 E HA -0.120 4.237 4.350 0.012 0.000 0.192 60 E C 2.099 178.589 176.600 -0.183 0.000 0.984 60 E CA 1.014 57.329 56.400 -0.142 0.000 0.806 60 E CB -0.334 29.323 29.700 -0.071 0.000 0.750 60 E HN 0.344 nan 8.360 nan 0.000 0.458 61 I N 1.079 121.641 120.570 -0.013 0.000 2.252 61 I HA -0.157 4.020 4.170 0.012 0.000 0.245 61 I C 2.276 178.428 176.117 0.058 0.000 1.102 61 I CA 1.439 62.790 61.300 0.085 0.000 1.385 61 I CB -1.059 36.996 38.000 0.091 0.000 1.064 61 I HN 0.199 nan 8.210 nan 0.000 0.414 62 K N 0.700 121.107 120.400 0.012 0.000 2.063 62 K HA -0.234 4.093 4.320 0.012 0.000 0.208 62 K C 1.936 178.535 176.600 -0.002 0.000 1.048 62 K CA 1.897 58.187 56.287 0.006 0.000 0.928 62 K CB -0.158 32.330 32.500 -0.020 0.000 0.713 62 K HN 0.566 nan 8.250 nan 0.000 0.442 63 E N 0.081 120.238 120.200 -0.073 0.000 2.107 63 E HA -0.200 4.157 4.350 0.012 0.000 0.191 63 E C 1.692 178.275 176.600 -0.028 0.000 0.982 63 E CA 1.015 57.362 56.400 -0.087 0.000 0.809 63 E CB -0.194 29.412 29.700 -0.157 0.000 0.756 63 E HN 0.367 nan 8.360 nan 0.000 0.459 64 H N 0.659 119.766 119.070 0.062 0.000 2.357 64 H HA -0.039 4.524 4.556 0.012 0.000 0.301 64 H C 2.411 177.808 175.328 0.115 0.000 1.082 64 H CA 1.469 57.562 56.048 0.074 0.000 1.342 64 H CB -0.379 29.412 29.762 0.049 0.000 1.389 64 H HN 0.147 nan 8.280 nan 0.000 0.511 65 I N 0.892 121.614 120.570 0.253 0.000 2.163 65 I HA -0.247 3.930 4.170 0.012 0.000 0.243 65 I C 2.890 179.219 176.117 0.352 0.000 1.085 65 I CA 1.513 62.997 61.300 0.306 0.000 1.347 65 I CB -1.084 37.077 38.000 0.269 0.000 1.044 65 I HN 0.565 nan 8.210 nan 0.000 0.408 66 S N -0.407 115.422 115.700 0.216 0.000 2.383 66 S HA -0.269 4.208 4.470 0.012 0.000 0.227 66 S C 2.054 176.767 174.600 0.188 0.000 1.026 66 S CA 1.528 59.836 58.200 0.180 0.000 0.981 66 S CB -0.546 62.699 63.200 0.075 0.000 0.818 66 S HN 0.621 nan 8.310 nan 0.000 0.472 67 K N -0.062 120.443 120.400 0.176 0.000 2.025 67 K HA -0.040 4.288 4.320 0.012 0.000 0.207 67 K C 2.069 178.771 176.600 0.171 0.000 1.049 67 K CA 1.514 57.896 56.287 0.159 0.000 0.933 67 K CB -0.418 32.183 32.500 0.167 0.000 0.714 67 K HN 0.504 nan 8.250 nan 0.000 0.438 68 Y N -0.312 120.025 120.300 0.063 0.000 2.114 68 Y HA -0.287 4.271 4.550 0.012 0.000 0.284 68 Y C 1.767 177.655 175.900 -0.019 0.000 1.143 68 Y CA 1.736 59.816 58.100 -0.034 0.000 1.135 68 Y CB -0.171 38.152 38.460 -0.228 0.000 0.980 68 Y HN 0.084 nan 8.280 nan 0.000 0.499 69 Y N 0.443 120.972 120.300 0.382 0.000 2.439 69 Y HA -0.116 4.442 4.550 0.013 0.000 0.292 69 Y C 2.462 178.557 175.900 0.325 0.000 1.130 69 Y CA 1.471 59.794 58.100 0.371 0.000 1.254 69 Y CB -0.484 38.249 38.460 0.454 0.000 1.000 69 Y HN 0.128 nan 8.280 nan 0.000 0.554 70 K N 0.230 120.818 120.400 0.314 0.000 2.057 70 K HA -0.177 4.150 4.320 0.012 0.000 0.206 70 K C 2.010 178.726 176.600 0.194 0.000 1.050 70 K CA 1.201 57.622 56.287 0.224 0.000 0.935 70 K CB -0.386 32.194 32.500 0.133 0.000 0.715 70 K HN 0.263 nan 8.250 nan 0.000 0.439 71 L N 1.351 122.639 121.223 0.109 0.000 2.093 71 L HA -0.082 4.265 4.340 0.012 0.000 0.208 71 L C 2.055 178.870 176.870 -0.092 0.000 1.085 71 L CA 1.192 56.073 54.840 0.068 0.000 0.755 71 L CB -0.540 41.563 42.059 0.074 0.000 0.904 71 L HN 0.297 nan 8.230 nan 0.000 0.435 72 L N -1.143 119.924 121.223 -0.259 0.000 2.012 72 L HA -0.201 4.146 4.340 0.012 0.000 0.210 72 L C 2.201 178.817 176.870 -0.423 0.000 1.073 72 L CA 1.962 56.401 54.840 -0.669 0.000 0.748 72 L CB -0.799 41.026 42.059 -0.390 0.000 0.891 72 L HN 0.212 nan 8.230 nan 0.000 0.431 73 F N 0.277 120.179 119.950 -0.080 0.000 2.051 73 F HA -0.213 4.321 4.527 0.012 0.000 0.296 73 F C 2.374 178.210 175.800 0.060 0.000 1.122 73 F CA 1.876 59.890 58.000 0.025 0.000 1.201 73 F CB -0.758 38.300 39.000 0.097 0.000 0.978 73 F HN 0.152 nan 8.300 nan 0.000 0.472 74 D N -0.931 119.638 120.400 0.281 0.000 2.106 74 D HA -0.274 4.374 4.640 0.012 0.000 0.191 74 D C 2.010 178.343 176.300 0.054 0.000 0.997 74 D CA 1.609 55.700 54.000 0.151 0.000 0.834 74 D CB -0.931 39.964 40.800 0.158 0.000 0.956 74 D HN 0.317 nan 8.370 nan 0.000 0.448 75 Y N 1.094 121.352 120.300 -0.071 0.000 2.224 75 Y HA -0.134 4.423 4.550 0.012 0.000 0.289 75 Y C 1.738 177.584 175.900 -0.090 0.000 1.146 75 Y CA 1.395 59.456 58.100 -0.065 0.000 1.182 75 Y CB 0.198 38.628 38.460 -0.050 0.000 0.983 75 Y HN -0.019 nan 8.280 nan 0.000 0.524 76 N N -2.273 116.417 118.700 -0.017 0.000 2.348 76 N HA -0.001 4.746 4.740 0.012 0.000 0.183 76 N C 1.222 176.723 175.510 -0.014 0.000 1.094 76 N CA 0.866 53.889 53.050 -0.045 0.000 0.885 76 N CB -0.014 38.375 38.487 -0.164 0.000 1.065 76 N HN 0.305 nan 8.380 nan 0.000 0.472 77 C N 0.766 120.075 119.300 0.016 0.000 2.590 77 C HA 0.343 4.811 4.460 0.012 0.000 0.272 77 C C 1.064 176.099 174.990 0.075 0.000 1.338 77 C CA -0.349 58.744 59.018 0.126 0.000 1.746 77 C CB -0.512 27.403 27.740 0.292 0.000 2.020 77 C HN 0.166 nan 8.230 nan 0.000 0.531 78 L N 0.809 121.976 121.223 -0.093 0.000 2.309 78 L HA 0.655 5.002 4.340 0.012 0.000 0.282 78 L C 1.032 177.859 176.870 -0.070 0.000 1.036 78 L CA 0.667 55.433 54.840 -0.123 0.000 0.806 78 L CB 1.021 42.919 42.059 -0.269 0.000 1.220 78 L HN 0.370 nan 8.230 nan 0.000 0.429 79 G N 1.648 110.434 108.800 -0.023 0.000 2.367 79 G HA2 -0.123 3.845 3.960 0.012 0.000 0.181 79 G HA3 -0.123 3.845 3.960 0.012 0.000 0.181 79 G C 0.311 175.221 174.900 0.017 0.000 1.000 79 G CA -0.341 44.746 45.100 -0.021 0.000 0.693 79 G HN 0.959 nan 8.290 nan 0.000 0.480 80 G N -0.156 108.670 108.800 0.044 0.000 2.557 80 G HA2 0.532 4.500 3.960 0.012 0.000 0.292 80 G HA3 0.532 4.500 3.960 0.012 0.000 0.292 80 G C 0.814 175.753 174.900 0.065 0.000 1.237 80 G CA 0.160 45.298 45.100 0.063 0.000 0.978 80 G HN 0.236 nan 8.290 nan 0.000 0.498 81 K N -0.465 119.978 120.400 0.071 0.000 2.288 81 K HA -0.033 4.294 4.320 0.012 0.000 0.201 81 K C 0.534 177.151 176.600 0.029 0.000 1.048 81 K CA 0.888 57.212 56.287 0.060 0.000 0.956 81 K CB -0.133 32.414 32.500 0.080 0.000 0.746 81 K HN 0.650 nan 8.250 nan 0.000 0.461 82 N N 0.478 119.183 118.700 0.008 0.000 2.747 82 N HA -0.191 4.557 4.740 0.012 0.000 0.249 82 N C 0.159 175.571 175.510 -0.165 0.000 1.107 82 N CA 0.194 53.216 53.050 -0.046 0.000 0.707 82 N CB -0.919 37.621 38.487 0.089 0.000 1.054 82 N HN 0.237 nan 8.380 nan 0.000 0.555 83 N N 0.707 119.317 118.700 -0.151 0.000 2.104 83 N HA -0.115 4.633 4.740 0.012 0.000 0.190 83 N C 1.682 177.016 175.510 -0.294 0.000 1.024 83 N CA 1.377 54.302 53.050 -0.208 0.000 0.853 83 N CB -0.085 38.286 38.487 -0.194 0.000 1.008 83 N HN 0.520 nan 8.380 nan 0.000 0.424 84 R N 0.001 120.304 120.500 -0.327 0.000 2.075 84 R HA 0.002 4.349 4.340 0.012 0.000 0.232 84 R C 2.397 178.501 176.300 -0.328 0.000 1.126 84 R CA 1.271 57.163 56.100 -0.347 0.000 0.963 84 R CB -0.597 29.515 30.300 -0.313 0.000 0.858 84 R HN 0.228 nan 8.270 nan 0.000 0.435 85 G N 1.124 109.682 108.800 -0.404 0.000 2.421 85 G HA2 -0.230 3.737 3.960 0.012 0.000 0.216 85 G HA3 -0.230 3.737 3.960 0.012 0.000 0.216 85 G C 1.446 175.819 174.900 -0.878 0.000 1.171 85 G CA 0.596 45.283 45.100 -0.688 0.000 0.775 85 G HN 0.145 nan 8.290 nan 0.000 0.543 86 I N 0.079 120.185 120.570 -0.774 0.000 2.286 86 I HA -0.120 4.057 4.170 0.012 0.000 0.248 86 I C 2.529 178.506 176.117 -0.232 0.000 1.115 86 I CA 0.397 61.406 61.300 -0.485 0.000 1.392 86 I CB -0.082 37.746 38.000 -0.287 0.000 1.065 86 I HN 0.139 nan 8.210 nan 0.000 0.418 87 L N 0.168 121.259 121.223 -0.220 0.000 2.083 87 L HA -0.164 4.184 4.340 0.012 0.000 0.209 87 L C 2.342 179.166 176.870 -0.077 0.000 1.083 87 L CA 1.730 56.492 54.840 -0.129 0.000 0.752 87 L CB -0.436 41.526 42.059 -0.163 0.000 0.899 87 L HN 0.003 nan 8.230 nan 0.000 0.433 88 V N -1.156 118.687 119.914 -0.118 0.000 2.244 88 V HA -0.301 3.826 4.120 0.012 0.000 0.244 88 V C 2.629 178.775 176.094 0.087 0.000 1.042 88 V CA 1.808 64.083 62.300 -0.042 0.000 1.006 88 V CB -0.607 31.168 31.823 -0.081 0.000 0.641 88 V HN 0.350 nan 8.190 nan 0.000 0.446 89 I N -0.240 120.384 120.570 0.089 0.000 2.118 89 I HA -0.262 3.916 4.170 0.012 0.000 0.241 89 I C 2.354 178.715 176.117 0.408 0.000 1.070 89 I CA 1.683 63.178 61.300 0.326 0.000 1.327 89 I CB -1.067 37.062 38.000 0.216 0.000 1.034 89 I HN 0.352 nan 8.210 nan 0.000 0.405 90 L N -0.535 120.846 121.223 0.263 0.000 2.056 90 L HA -0.171 4.176 4.340 0.012 0.000 0.207 90 L C 2.754 179.834 176.870 0.350 0.000 1.078 90 L CA 1.162 56.198 54.840 0.327 0.000 0.749 90 L CB -0.721 41.445 42.059 0.178 0.000 0.901 90 L HN 0.236 nan 8.230 nan 0.000 0.433 91 I N -1.352 119.342 120.570 0.207 0.000 2.315 91 I HA -0.269 3.908 4.170 0.012 0.000 0.248 91 I C 2.416 178.651 176.117 0.196 0.000 1.117 91 I CA 0.956 62.350 61.300 0.157 0.000 1.404 91 I CB -0.970 37.061 38.000 0.051 0.000 1.071 91 I HN 0.346 nan 8.210 nan 0.000 0.419 92 Y N 1.258 121.612 120.300 0.089 0.000 2.165 92 Y HA -0.274 4.283 4.550 0.011 0.000 0.286 92 Y C 2.602 178.492 175.900 -0.017 0.000 1.155 92 Y CA 2.342 60.447 58.100 0.009 0.000 1.164 92 Y CB -0.455 37.987 38.460 -0.030 0.000 0.978 92 Y HN 0.358 nan 8.280 nan 0.000 0.513 93 E N -1.363 118.895 120.200 0.096 0.000 2.047 93 E HA -0.228 4.129 4.350 0.012 0.000 0.191 93 E C 1.498 177.989 176.600 -0.180 0.000 0.987 93 E CA 1.468 57.855 56.400 -0.023 0.000 0.799 93 E CB -0.354 29.511 29.700 0.275 0.000 0.752 93 E HN 0.634 nan 8.360 nan 0.000 0.449 94 Y N -0.872 119.459 120.300 0.052 0.000 2.482 94 Y HA 0.115 4.672 4.550 0.012 0.000 0.270 94 Y C 2.038 177.991 175.900 0.089 0.000 1.152 94 Y CA 0.311 58.454 58.100 0.071 0.000 1.292 94 Y CB 0.157 38.703 38.460 0.143 0.000 1.070 94 Y HN 0.066 nan 8.280 nan 0.000 0.528 95 V N 0.432 120.424 119.914 0.130 0.000 2.324 95 V HA -0.225 3.902 4.120 0.012 0.000 0.250 95 V C 0.935 177.151 176.094 0.203 0.000 1.060 95 V CA 2.252 64.616 62.300 0.107 0.000 1.042 95 V CB -0.213 31.607 31.823 -0.005 0.000 0.650 95 V HN 0.257 nan 8.190 nan 0.000 0.450 96 K N -0.099 120.321 120.400 0.033 0.000 2.557 96 K HA 0.414 4.741 4.320 0.012 0.000 0.257 96 K C -1.083 175.452 176.600 -0.107 0.000 0.933 96 K CA -0.703 55.568 56.287 -0.027 0.000 0.820 96 K CB 1.372 33.845 32.500 -0.045 0.000 1.330 96 K HN 0.332 nan 8.250 nan 0.000 0.432 97 N N 3.749 122.385 118.700 -0.106 0.000 2.416 97 N HA 0.141 4.889 4.740 0.012 0.000 0.265 97 N C -1.198 174.238 175.510 -0.124 0.000 1.195 97 N CA 0.110 53.075 53.050 -0.142 0.000 0.943 97 N CB 0.433 38.847 38.487 -0.121 0.000 1.115 97 N HN 0.681 nan 8.380 nan 0.000 0.481 98 R N -0.171 120.243 120.500 -0.143 0.000 2.728 98 R HA 0.419 4.766 4.340 0.012 0.000 0.274 98 R C -1.491 174.738 176.300 -0.118 0.000 1.030 98 R CA -0.519 55.508 56.100 -0.122 0.000 0.876 98 R CB -0.165 30.056 30.300 -0.131 0.000 1.259 98 R HN 0.348 nan 8.270 nan 0.000 0.468 99 D N 1.826 122.175 120.400 -0.086 0.000 2.350 99 D HA 0.527 5.174 4.640 0.012 0.000 0.249 99 D C 0.163 176.410 176.300 -0.087 0.000 1.119 99 D CA -0.137 53.828 54.000 -0.057 0.000 0.886 99 D CB 0.620 41.402 40.800 -0.029 0.000 1.195 99 D HN 0.369 nan 8.370 nan 0.000 0.437 100 I N 1.459 121.996 120.570 -0.055 0.000 2.439 100 I HA 0.257 4.434 4.170 0.012 0.000 0.283 100 I C -0.204 175.944 176.117 0.052 0.000 1.023 100 I CA -1.045 60.172 61.300 -0.138 0.000 1.100 100 I CB 1.565 39.286 38.000 -0.464 0.000 1.238 100 I HN 0.616 nan 8.210 nan 0.000 0.445 101 N N 3.133 121.862 118.700 0.047 0.000 2.445 101 N HA 0.146 4.894 4.740 0.012 0.000 0.264 101 N C 1.074 176.738 175.510 0.257 0.000 1.227 101 N CA -0.351 52.783 53.050 0.140 0.000 0.963 101 N CB 0.738 39.278 38.487 0.088 0.000 1.188 101 N HN 0.563 nan 8.380 nan 0.000 0.491 102 S N -0.442 115.418 115.700 0.266 0.000 2.387 102 S HA -0.310 4.168 4.470 0.012 0.000 0.230 102 S C 1.863 176.647 174.600 0.307 0.000 1.035 102 S CA 1.305 59.690 58.200 0.309 0.000 1.014 102 S CB -1.049 62.271 63.200 0.200 0.000 0.836 102 S HN 0.729 nan 8.310 nan 0.000 0.466 103 S N 1.831 117.658 115.700 0.211 0.000 2.383 103 S HA -0.128 4.349 4.470 0.012 0.000 0.227 103 S C 1.856 176.563 174.600 0.180 0.000 1.026 103 S CA 1.136 59.446 58.200 0.184 0.000 0.981 103 S CB -0.534 62.743 63.200 0.129 0.000 0.818 103 S HN 0.697 nan 8.310 nan 0.000 0.472 104 E N -0.472 119.812 120.200 0.139 0.000 2.106 104 E HA -0.106 4.251 4.350 0.012 0.000 0.192 104 E C 1.675 178.308 176.600 0.055 0.000 0.984 104 E CA 1.153 57.595 56.400 0.069 0.000 0.806 104 E CB -0.243 29.467 29.700 0.016 0.000 0.750 104 E HN 0.732 nan 8.360 nan 0.000 0.458 105 W N 1.662 123.098 121.300 0.227 0.000 2.436 105 W HA -0.090 4.578 4.660 0.014 0.000 0.284 105 W C 2.311 179.010 176.519 0.300 0.000 1.225 105 W CA 0.509 58.025 57.345 0.286 0.000 1.271 105 W CB 0.159 29.785 29.460 0.277 0.000 1.114 105 W HN 0.123 nan 8.180 nan 0.000 0.559 106 E N 0.965 121.448 120.200 0.471 0.000 2.110 106 E HA -0.237 4.121 4.350 0.012 0.000 0.193 106 E C 1.772 178.490 176.600 0.196 0.000 0.988 106 E CA 1.290 57.899 56.400 0.349 0.000 0.804 106 E CB -0.000 29.871 29.700 0.286 0.000 0.745 106 E HN 0.285 nan 8.360 nan 0.000 0.458 107 K N -0.115 120.358 120.400 0.122 0.000 2.103 107 K HA -0.023 4.305 4.320 0.012 0.000 0.204 107 K C 2.139 178.676 176.600 -0.106 0.000 1.052 107 K CA 0.870 57.164 56.287 0.013 0.000 0.945 107 K CB -0.029 32.478 32.500 0.011 0.000 0.722 107 K HN 0.074 nan 8.250 nan 0.000 0.443 108 A N 1.522 124.245 122.820 -0.162 0.000 1.898 108 A HA -0.057 4.270 4.320 0.012 0.000 0.216 108 A C 2.309 179.910 177.584 0.029 0.000 1.181 108 A CA 1.730 53.634 52.037 -0.222 0.000 0.620 108 A CB -0.558 18.205 19.000 -0.396 0.000 0.819 108 A HN 0.308 nan 8.150 nan 0.000 0.442 109 A N -1.483 121.450 122.820 0.188 0.000 2.119 109 A HA -0.031 4.297 4.320 0.012 0.000 0.216 109 A C 2.189 179.653 177.584 -0.200 0.000 1.152 109 A CA 1.262 53.430 52.037 0.219 0.000 0.708 109 A CB -1.130 18.084 19.000 0.357 0.000 0.805 109 A HN 0.727 nan 8.150 nan 0.000 0.460 110 C N -0.553 118.419 119.300 -0.547 0.000 2.489 110 C HA 0.030 4.498 4.460 0.012 0.000 0.279 110 C C 2.512 177.270 174.990 -0.387 0.000 1.266 110 C CA 1.123 59.549 59.018 -0.987 0.000 1.707 110 C CB -1.356 25.965 27.740 -0.698 0.000 2.059 110 C HN 0.586 nan 8.230 nan 0.000 0.481 111 L N 1.346 122.463 121.223 -0.175 0.000 2.083 111 L HA -0.095 4.253 4.340 0.012 0.000 0.209 111 L C 3.029 179.926 176.870 0.043 0.000 1.083 111 L CA 1.680 56.512 54.840 -0.014 0.000 0.752 111 L CB -0.956 41.123 42.059 0.034 0.000 0.899 111 L HN 0.510 nan 8.230 nan 0.000 0.433 112 A N -0.559 122.254 122.820 -0.012 0.000 1.877 112 A HA -0.225 4.102 4.320 0.012 0.000 0.216 112 A C 1.928 179.521 177.584 0.016 0.000 1.186 112 A CA 1.386 53.395 52.037 -0.045 0.000 0.620 112 A CB -0.891 18.063 19.000 -0.077 0.000 0.822 112 A HN 0.503 nan 8.150 nan 0.000 0.443 113 W N -0.807 120.580 121.300 0.145 0.000 2.436 113 W HA -0.104 4.564 4.660 0.012 0.000 0.284 113 W C 2.502 179.041 176.519 0.033 0.000 1.225 113 W CA 0.805 58.210 57.345 0.100 0.000 1.271 113 W CB -0.416 29.014 29.460 -0.050 0.000 1.114 113 W HN 0.355 nan 8.180 nan 0.000 0.559 114 C N -0.171 119.210 119.300 0.135 0.000 2.425 114 C HA -0.186 4.281 4.460 0.012 0.000 0.277 114 C C 2.438 177.531 174.990 0.170 0.000 1.280 114 C CA 0.777 59.808 59.018 0.022 0.000 1.744 114 C CB -1.350 26.243 27.740 -0.244 0.000 1.989 114 C HN 0.289 nan 8.230 nan 0.000 0.491 115 I N 0.490 121.202 120.570 0.238 0.000 2.546 115 I HA -0.103 4.075 4.170 0.012 0.000 0.255 115 I C 2.419 178.611 176.117 0.124 0.000 1.163 115 I CA 1.083 62.498 61.300 0.191 0.000 1.457 115 I CB -0.531 37.502 38.000 0.054 0.000 1.092 115 I HN 0.330 nan 8.210 nan 0.000 0.434 116 E N 0.944 121.222 120.200 0.130 0.000 2.158 116 E HA -0.046 4.311 4.350 0.012 0.000 0.191 116 E C 2.299 179.022 176.600 0.205 0.000 0.982 116 E CA 0.976 57.470 56.400 0.158 0.000 0.823 116 E CB 0.017 29.795 29.700 0.129 0.000 0.766 116 E HN 0.522 nan 8.360 nan 0.000 0.468 117 I N 0.707 121.409 120.570 0.219 0.000 2.315 117 I HA -0.236 3.941 4.170 0.012 0.000 0.248 117 I C 2.399 178.498 176.117 -0.029 0.000 1.117 117 I CA 0.424 61.794 61.300 0.115 0.000 1.404 117 I CB -0.109 37.964 38.000 0.123 0.000 1.071 117 I HN 0.069 nan 8.210 nan 0.000 0.419 118 L N 0.803 121.997 121.223 -0.047 0.000 2.017 118 L HA -0.244 4.103 4.340 0.012 0.000 0.208 118 L C 2.529 179.153 176.870 -0.411 0.000 1.073 118 L CA 1.911 56.598 54.840 -0.256 0.000 0.745 118 L CB -0.684 41.293 42.059 -0.138 0.000 0.894 118 L HN 0.202 nan 8.230 nan 0.000 0.432 119 Q N -0.224 119.546 119.800 -0.050 0.000 2.084 119 Q HA -0.167 4.181 4.340 0.012 0.000 0.202 119 Q C 2.136 178.191 176.000 0.092 0.000 0.978 119 Q CA 2.205 58.095 55.803 0.145 0.000 0.844 119 Q CB -0.483 28.398 28.738 0.238 0.000 0.898 119 Q HN 0.571 nan 8.270 nan 0.000 0.426 120 A N 0.358 123.202 122.820 0.039 0.000 1.908 120 A HA -0.099 4.229 4.320 0.012 0.000 0.218 120 A C 2.308 179.878 177.584 -0.023 0.000 1.181 120 A CA 2.049 54.093 52.037 0.012 0.000 0.627 120 A CB -1.238 17.746 19.000 -0.026 0.000 0.818 120 A HN 0.573 nan 8.150 nan 0.000 0.445 121 A N -1.176 121.590 122.820 -0.090 0.000 1.897 121 A HA 0.093 4.421 4.320 0.012 0.000 0.215 121 A C 1.902 179.518 177.584 0.053 0.000 1.181 121 A CA 1.420 53.418 52.037 -0.065 0.000 0.620 121 A CB -0.676 18.265 19.000 -0.098 0.000 0.821 121 A HN 0.408 nan 8.150 nan 0.000 0.443 122 F N 0.582 120.518 119.950 -0.024 0.000 2.126 122 F HA -0.161 4.373 4.527 0.011 0.000 0.299 122 F C 2.189 177.986 175.800 -0.004 0.000 1.096 122 F CA 1.287 59.248 58.000 -0.065 0.000 1.255 122 F CB -1.108 37.788 39.000 -0.173 0.000 0.997 122 F HN 0.339 nan 8.300 nan 0.000 0.479 123 L N -1.733 119.629 121.223 0.231 0.000 2.109 123 L HA -0.029 4.318 4.340 0.012 0.000 0.207 123 L C 1.981 178.953 176.870 0.169 0.000 1.086 123 L CA 1.256 56.206 54.840 0.183 0.000 0.760 123 L CB -1.833 40.329 42.059 0.172 0.000 0.910 123 L HN -0.090 nan 8.230 nan 0.000 0.437 124 V N 0.925 120.934 119.914 0.158 0.000 2.358 124 V HA -0.217 3.911 4.120 0.012 0.000 0.246 124 V C 3.041 179.227 176.094 0.153 0.000 1.047 124 V CA 1.771 64.188 62.300 0.194 0.000 1.035 124 V CB -1.276 30.643 31.823 0.161 0.000 0.658 124 V HN 0.635 nan 8.190 nan 0.000 0.452 125 A N 0.070 122.961 122.820 0.118 0.000 1.873 125 A HA -0.287 4.041 4.320 0.012 0.000 0.215 125 A C 2.052 179.649 177.584 0.022 0.000 1.186 125 A CA 2.132 54.211 52.037 0.069 0.000 0.616 125 A CB -0.755 18.299 19.000 0.091 0.000 0.823 125 A HN 0.573 nan 8.150 nan 0.000 0.442 126 D N -0.257 120.172 120.400 0.048 0.000 2.149 126 D HA -0.156 4.492 4.640 0.012 0.000 0.198 126 D C 1.298 177.599 176.300 0.002 0.000 0.990 126 D CA 1.544 55.554 54.000 0.018 0.000 0.839 126 D CB -0.115 40.712 40.800 0.044 0.000 0.948 126 D HN 0.374 nan 8.370 nan 0.000 0.460 127 D N -0.539 119.886 120.400 0.041 0.000 2.183 127 D HA -0.066 4.581 4.640 0.012 0.000 0.203 127 D C 2.236 178.379 176.300 -0.262 0.000 0.969 127 D CA 0.431 54.465 54.000 0.058 0.000 0.842 127 D CB -0.047 40.912 40.800 0.266 0.000 0.957 127 D HN 0.376 nan 8.370 nan 0.000 0.484 128 I N 0.539 120.860 120.570 -0.415 0.000 2.142 128 I HA -0.260 3.918 4.170 0.012 0.000 0.240 128 I C 2.600 178.484 176.117 -0.389 0.000 1.078 128 I CA 0.906 61.781 61.300 -0.707 0.000 1.343 128 I CB -0.193 37.607 38.000 -0.334 0.000 1.046 128 I HN -0.069 nan 8.210 nan 0.000 0.405 129 M N 0.007 119.489 119.600 -0.195 0.000 2.065 129 M HA -0.234 4.254 4.480 0.012 0.000 0.259 129 M C 1.304 177.545 176.300 -0.098 0.000 1.069 129 M CA 1.736 56.965 55.300 -0.118 0.000 1.110 129 M CB -0.473 32.081 32.600 -0.077 0.000 1.328 129 M HN 0.137 nan 8.290 nan 0.000 0.405 130 D N 0.041 120.394 120.400 -0.078 0.000 2.340 130 D HA 0.014 4.661 4.640 0.012 0.000 0.220 130 D C 0.044 176.334 176.300 -0.016 0.000 1.039 130 D CA 0.326 54.303 54.000 -0.039 0.000 0.866 130 D CB 0.105 40.897 40.800 -0.013 0.000 0.913 130 D HN 0.046 nan 8.370 nan 0.000 0.523 131 K N 0.652 121.021 120.400 -0.051 0.000 3.257 131 K HA -0.130 4.197 4.320 0.012 0.000 0.270 131 K C 0.493 177.204 176.600 0.185 0.000 0.984 131 K CA 0.544 56.865 56.287 0.058 0.000 0.739 131 K CB -1.781 30.755 32.500 0.061 0.000 1.351 131 K HN 0.299 nan 8.250 nan 0.000 0.463 132 G N 0.308 109.249 108.800 0.235 0.000 2.636 132 G HA2 0.162 4.130 3.960 0.012 0.000 0.246 132 G HA3 0.162 4.130 3.960 0.012 0.000 0.246 132 G C 0.830 175.899 174.900 0.282 0.000 1.216 132 G CA -0.203 45.046 45.100 0.249 0.000 0.854 132 G HN 0.429 nan 8.290 nan 0.000 0.572 133 E N -0.680 119.627 120.200 0.178 0.000 2.357 133 E HA 0.151 4.508 4.350 0.012 0.000 0.202 133 E C 0.321 177.020 176.600 0.165 0.000 0.855 133 E CA 0.189 56.674 56.400 0.141 0.000 1.048 133 E CB 0.328 30.090 29.700 0.104 0.000 1.037 133 E HN 0.278 nan 8.360 nan 0.000 0.499 134 M N 0.569 120.251 119.600 0.135 0.000 2.572 134 M HA 0.528 5.015 4.480 0.012 0.000 0.299 134 M C -1.027 175.340 176.300 0.111 0.000 1.205 134 M CA -0.672 54.695 55.300 0.112 0.000 0.876 134 M CB 2.347 34.974 32.600 0.045 0.000 1.728 134 M HN -0.111 nan 8.290 nan 0.000 0.458 135 R N 0.714 121.276 120.500 0.104 0.000 2.515 135 R HA 0.488 4.835 4.340 0.012 0.000 0.278 135 R C -0.930 175.397 176.300 0.044 0.000 1.107 135 R CA -0.251 55.904 56.100 0.093 0.000 0.945 135 R CB 1.118 31.503 30.300 0.143 0.000 1.219 135 R HN 0.703 nan 8.270 nan 0.000 0.434 136 R N 3.354 123.870 120.500 0.027 0.000 3.525 136 R HA -0.273 4.074 4.340 0.012 0.000 0.276 136 R C -0.565 175.711 176.300 -0.040 0.000 1.116 136 R CA 0.971 57.068 56.100 -0.005 0.000 0.745 136 R CB -2.053 28.235 30.300 -0.021 0.000 1.185 136 R HN 1.053 nan 8.270 nan 0.000 0.454 137 N N -1.384 117.297 118.700 -0.032 0.000 2.800 137 N HA -0.243 4.505 4.740 0.012 0.000 0.250 137 N C -0.640 174.808 175.510 -0.103 0.000 1.078 137 N CA 2.097 55.112 53.050 -0.058 0.000 0.804 137 N CB -0.354 38.102 38.487 -0.051 0.000 1.135 137 N HN 0.733 nan 8.380 nan 0.000 0.565 138 K N -1.028 119.317 120.400 -0.092 0.000 2.433 138 K HA 0.435 4.762 4.320 0.012 0.000 0.252 138 K C -0.829 175.786 176.600 0.024 0.000 1.015 138 K CA -0.921 55.301 56.287 -0.109 0.000 0.860 138 K CB 1.203 33.630 32.500 -0.122 0.000 1.359 138 K HN -0.026 nan 8.250 nan 0.000 0.452 139 Y N 0.318 120.712 120.300 0.157 0.000 2.597 139 Y HA -0.045 4.512 4.550 0.012 0.000 0.336 139 Y C 0.615 176.659 175.900 0.241 0.000 1.216 139 Y CA -0.752 57.434 58.100 0.143 0.000 1.463 139 Y CB 0.496 39.013 38.460 0.094 0.000 1.303 139 Y HN 0.422 nan 8.280 nan 0.000 0.576 140 C N 4.723 124.218 119.300 0.325 0.000 2.633 140 C HA -0.170 4.297 4.460 0.012 0.000 0.415 140 C C 1.971 177.125 174.990 0.273 0.000 1.393 140 C CA -0.851 58.360 59.018 0.323 0.000 1.700 140 C CB -0.698 27.218 27.740 0.292 0.000 2.541 140 C HN 1.113 nan 8.230 nan 0.000 0.603 141 W N 3.468 124.901 121.300 0.221 0.000 2.290 141 W HA -0.288 4.380 4.660 0.013 0.000 0.311 141 W C 1.995 178.520 176.519 0.011 0.000 1.238 141 W CA 2.440 59.812 57.345 0.046 0.000 1.255 141 W CB -0.497 29.026 29.460 0.106 0.000 1.145 141 W HN 1.020 nan 8.180 nan 0.000 0.506 142 Y N -0.063 120.280 120.300 0.072 0.000 2.352 142 Y HA -0.114 4.444 4.550 0.013 0.000 0.292 142 Y C 2.220 178.049 175.900 -0.119 0.000 1.136 142 Y CA 1.648 59.714 58.100 -0.056 0.000 1.227 142 Y CB -1.284 37.210 38.460 0.057 0.000 0.991 142 Y HN -0.112 nan 8.280 nan 0.000 0.545 143 L N 0.218 120.925 121.223 -0.859 0.000 2.217 143 L HA -0.057 4.291 4.340 0.012 0.000 0.211 143 L C 0.468 177.066 176.870 -0.455 0.000 1.107 143 L CA -0.028 54.389 54.840 -0.704 0.000 0.783 143 L CB -0.412 41.275 42.059 -0.619 0.000 0.919 143 L HN 0.169 nan 8.230 nan 0.000 0.442 144 L N 1.119 122.080 121.223 -0.436 0.000 2.559 144 L HA -0.086 4.261 4.340 0.012 0.000 0.274 144 L C 1.472 178.131 176.870 -0.351 0.000 1.205 144 L CA 0.721 55.311 54.840 -0.416 0.000 0.907 144 L CB 0.150 41.881 42.059 -0.547 0.000 1.153 144 L HN 0.030 nan 8.230 nan 0.000 0.490 145 K N 1.690 121.925 120.400 -0.275 0.000 2.283 145 K HA -0.073 4.254 4.320 0.012 0.000 0.202 145 K C 0.950 177.438 176.600 -0.186 0.000 1.048 145 K CA 0.785 56.950 56.287 -0.204 0.000 0.948 145 K CB 0.030 32.433 32.500 -0.162 0.000 0.742 145 K HN 0.570 nan 8.250 nan 0.000 0.458 146 D N 0.221 120.493 120.400 -0.214 0.000 2.347 146 D HA -0.045 4.603 4.640 0.012 0.000 0.215 146 D C 1.608 177.795 176.300 -0.189 0.000 0.976 146 D CA 0.418 54.315 54.000 -0.173 0.000 0.884 146 D CB 0.501 41.209 40.800 -0.154 0.000 0.915 146 D HN -0.078 nan 8.370 nan 0.000 0.526 147 V N -0.226 119.498 119.914 -0.317 0.000 2.868 147 V HA 0.096 4.223 4.120 0.012 0.000 0.227 147 V C 0.309 176.281 176.094 -0.203 0.000 1.136 147 V CA 0.015 62.097 62.300 -0.363 0.000 1.206 147 V CB -0.033 31.224 31.823 -0.944 0.000 0.997 147 V HN 0.119 nan 8.190 nan 0.000 0.505 148 E N -0.692 119.383 120.200 -0.208 0.000 9.117 148 E HA -0.210 4.147 4.350 0.012 0.000 0.474 148 E C 0.736 177.357 176.600 0.035 0.000 1.367 148 E CA 0.422 56.778 56.400 -0.074 0.000 2.381 148 E CB -0.908 28.759 29.700 -0.055 0.000 1.023 148 E HN 0.418 nan 8.360 nan 0.000 0.272 149 T N 0.840 115.468 114.554 0.123 0.000 2.665 149 T HA -0.288 4.069 4.350 0.012 0.000 0.268 149 T C 1.741 176.495 174.700 0.091 0.000 1.035 149 T CA 2.252 64.436 62.100 0.140 0.000 1.151 149 T CB -0.333 68.598 68.868 0.105 0.000 0.862 149 T HN 0.513 nan 8.240 nan 0.000 0.438 150 K N 1.501 121.936 120.400 0.058 0.000 2.044 150 K HA -0.169 4.159 4.320 0.012 0.000 0.210 150 K C 2.062 178.706 176.600 0.074 0.000 1.049 150 K CA 1.774 58.091 56.287 0.050 0.000 0.927 150 K CB -0.355 32.159 32.500 0.024 0.000 0.713 150 K HN 0.213 nan 8.250 nan 0.000 0.443 151 N N 0.974 119.719 118.700 0.075 0.000 2.216 151 N HA -0.028 4.719 4.740 0.012 0.000 0.183 151 N C 1.963 177.627 175.510 0.256 0.000 1.017 151 N CA 1.266 54.398 53.050 0.136 0.000 0.861 151 N CB -0.181 38.379 38.487 0.122 0.000 0.986 151 N HN 0.410 nan 8.380 nan 0.000 0.428 152 A N 0.934 123.902 122.820 0.246 0.000 1.933 152 A HA -0.074 4.254 4.320 0.012 0.000 0.218 152 A C 2.507 180.250 177.584 0.265 0.000 1.175 152 A CA 1.112 53.369 52.037 0.366 0.000 0.628 152 A CB -0.689 18.527 19.000 0.360 0.000 0.814 152 A HN 0.084 nan 8.150 nan 0.000 0.444 153 V N 0.778 120.796 119.914 0.173 0.000 2.295 153 V HA -0.262 3.865 4.120 0.012 0.000 0.246 153 V C 2.474 178.655 176.094 0.145 0.000 1.049 153 V CA 2.350 64.724 62.300 0.125 0.000 1.024 153 V CB -1.016 30.856 31.823 0.082 0.000 0.648 153 V HN 0.710 nan 8.190 nan 0.000 0.447 154 N N 0.431 119.230 118.700 0.165 0.000 2.120 154 N HA -0.169 4.578 4.740 0.012 0.000 0.188 154 N C 1.456 177.110 175.510 0.240 0.000 1.024 154 N CA 1.601 54.761 53.050 0.184 0.000 0.852 154 N CB -0.288 38.303 38.487 0.175 0.000 1.003 154 N HN 0.447 nan 8.380 nan 0.000 0.424 155 D N -0.563 120.019 120.400 0.303 0.000 2.178 155 D HA -0.080 4.567 4.640 0.012 0.000 0.202 155 D C 1.979 178.379 176.300 0.167 0.000 0.974 155 D CA 0.476 54.669 54.000 0.323 0.000 0.841 155 D CB -0.254 40.811 40.800 0.442 0.000 0.953 155 D HN 0.099 nan 8.370 nan 0.000 0.478 156 V N 0.720 120.726 119.914 0.152 0.000 2.343 156 V HA -0.219 3.909 4.120 0.012 0.000 0.247 156 V C 2.488 178.654 176.094 0.119 0.000 1.051 156 V CA 1.208 63.568 62.300 0.100 0.000 1.036 156 V CB -0.350 31.532 31.823 0.098 0.000 0.654 156 V HN 0.141 nan 8.190 nan 0.000 0.451 157 L N -1.102 120.209 121.223 0.148 0.000 2.156 157 L HA -0.103 4.244 4.340 0.012 0.000 0.208 157 L C 2.214 179.198 176.870 0.190 0.000 1.095 157 L CA 1.232 56.184 54.840 0.186 0.000 0.770 157 L CB -0.475 41.680 42.059 0.161 0.000 0.914 157 L HN 0.293 nan 8.230 nan 0.000 0.439 158 L N -0.797 120.524 121.223 0.162 0.000 2.005 158 L HA -0.198 4.150 4.340 0.012 0.000 0.207 158 L C 2.332 179.197 176.870 -0.007 0.000 1.072 158 L CA 1.633 56.551 54.840 0.130 0.000 0.744 158 L CB -0.246 41.922 42.059 0.182 0.000 0.895 158 L HN 0.101 nan 8.230 nan 0.000 0.433 159 L N -1.572 119.600 121.223 -0.085 0.000 2.042 159 L HA -0.276 4.072 4.340 0.012 0.000 0.210 159 L C 2.532 179.329 176.870 -0.121 0.000 1.076 159 L CA 1.641 56.333 54.840 -0.247 0.000 0.749 159 L CB -0.806 41.080 42.059 -0.289 0.000 0.893 159 L HN 0.365 nan 8.230 nan 0.000 0.432 160 Y N 0.910 121.148 120.300 -0.104 0.000 2.181 160 Y HA -0.239 4.317 4.550 0.011 0.000 0.288 160 Y C 2.497 178.424 175.900 0.045 0.000 1.146 160 Y CA 1.615 59.688 58.100 -0.046 0.000 1.164 160 Y CB -0.274 38.195 38.460 0.014 0.000 0.982 160 Y HN 0.207 nan 8.280 nan 0.000 0.515 161 N N -0.369 118.331 118.700 0.001 0.000 2.409 161 N HA -0.127 4.620 4.740 0.012 0.000 0.179 161 N C 2.030 177.516 175.510 -0.041 0.000 1.032 161 N CA 1.175 54.242 53.050 0.028 0.000 0.898 161 N CB -0.252 38.321 38.487 0.145 0.000 0.971 161 N HN 0.513 nan 8.380 nan 0.000 0.441 162 S N 1.011 116.565 115.700 -0.245 0.000 2.399 162 S HA -0.068 4.410 4.470 0.012 0.000 0.231 162 S C 2.048 176.441 174.600 -0.345 0.000 1.022 162 S CA 0.477 58.323 58.200 -0.591 0.000 0.983 162 S CB -0.494 62.047 63.200 -1.098 0.000 0.803 162 S HN 0.199 nan 8.310 nan 0.000 0.480 163 I N 0.297 120.632 120.570 -0.391 0.000 2.127 163 I HA -0.206 3.972 4.170 0.012 0.000 0.241 163 I C 2.312 178.068 176.117 -0.602 0.000 1.075 163 I CA 1.821 62.776 61.300 -0.576 0.000 1.334 163 I CB -0.510 36.953 38.000 -0.895 0.000 1.040 163 I HN 0.270 nan 8.210 nan 0.000 0.405 164 Y N 0.327 120.429 120.300 -0.331 0.000 2.373 164 Y HA -0.186 4.371 4.550 0.012 0.000 0.293 164 Y C 2.438 178.279 175.900 -0.098 0.000 1.129 164 Y CA 0.938 58.897 58.100 -0.235 0.000 1.226 164 Y CB -0.420 37.907 38.460 -0.222 0.000 1.000 164 Y HN 0.023 nan 8.280 nan 0.000 0.549 165 K N 1.014 121.448 120.400 0.056 0.000 2.057 165 K HA -0.092 4.236 4.320 0.012 0.000 0.206 165 K C 1.756 178.386 176.600 0.050 0.000 1.050 165 K CA 1.344 57.661 56.287 0.050 0.000 0.935 165 K CB -0.726 31.852 32.500 0.131 0.000 0.715 165 K HN 0.318 nan 8.250 nan 0.000 0.439 166 L N 0.116 121.371 121.223 0.054 0.000 2.027 166 L HA -0.105 4.242 4.340 0.012 0.000 0.206 166 L C 2.343 179.301 176.870 0.148 0.000 1.074 166 L CA 1.204 56.124 54.840 0.133 0.000 0.745 166 L CB -0.357 41.742 42.059 0.066 0.000 0.898 166 L HN 0.134 nan 8.230 nan 0.000 0.433 167 I N -0.389 120.185 120.570 0.008 0.000 2.264 167 I HA -0.309 3.869 4.170 0.012 0.000 0.248 167 I C 2.603 178.864 176.117 0.240 0.000 1.111 167 I CA 1.368 62.709 61.300 0.068 0.000 1.382 167 I CB -0.329 37.619 38.000 -0.087 0.000 1.060 167 I HN 0.381 nan 8.210 nan 0.000 0.418 168 E N 1.667 121.998 120.200 0.219 0.000 2.028 168 E HA -0.215 4.143 4.350 0.012 0.000 0.191 168 E C 2.380 178.953 176.600 -0.044 0.000 0.988 168 E CA 1.316 57.801 56.400 0.143 0.000 0.799 168 E CB -0.027 29.751 29.700 0.130 0.000 0.755 168 E HN 0.424 nan 8.360 nan 0.000 0.447 169 I N -0.097 120.434 120.570 -0.064 0.000 2.151 169 I HA -0.306 3.871 4.170 0.012 0.000 0.243 169 I C 1.739 177.646 176.117 -0.350 0.000 1.080 169 I CA 1.502 62.655 61.300 -0.245 0.000 1.339 169 I CB -0.202 37.599 38.000 -0.331 0.000 1.039 169 I HN 0.242 nan 8.210 nan 0.000 0.409 170 Y N -1.298 119.007 120.300 0.009 0.000 2.481 170 Y HA 0.195 4.752 4.550 0.012 0.000 0.258 170 Y C 1.378 177.275 175.900 -0.005 0.000 1.103 170 Y CA 0.084 58.199 58.100 0.025 0.000 1.287 170 Y CB 0.465 38.972 38.460 0.077 0.000 1.108 170 Y HN -0.000 nan 8.280 nan 0.000 0.529 171 L N -1.239 120.037 121.223 0.089 0.000 3.184 171 L HA 0.283 4.630 4.340 0.012 0.000 0.283 171 L C 1.801 178.510 176.870 -0.269 0.000 1.218 171 L CA 0.153 55.016 54.840 0.038 0.000 1.028 171 L CB 0.023 42.194 42.059 0.186 0.000 1.400 171 L HN -0.081 nan 8.230 nan 0.000 0.591 172 R N 0.669 120.873 120.500 -0.493 0.000 2.165 172 R HA -0.233 4.114 4.340 0.012 0.000 0.254 172 R C 0.947 176.885 176.300 -0.602 0.000 1.153 172 R CA 2.452 58.053 56.100 -0.831 0.000 0.971 172 R CB -0.080 29.990 30.300 -0.383 0.000 0.878 172 R HN 0.505 nan 8.270 nan 0.000 0.449 173 N N -0.372 118.159 118.700 -0.283 0.000 2.236 173 N HA 0.018 4.765 4.740 0.012 0.000 0.196 173 N C -0.700 174.774 175.510 -0.060 0.000 1.114 173 N CA -0.248 52.718 53.050 -0.140 0.000 0.859 173 N CB 0.538 38.972 38.487 -0.088 0.000 0.982 173 N HN 0.069 nan 8.380 nan 0.000 0.493 174 E N 0.485 120.663 120.200 -0.038 0.000 2.390 174 E HA 0.030 4.387 4.350 0.012 0.000 0.261 174 E C 0.881 177.531 176.600 0.083 0.000 1.076 174 E CA 0.061 56.486 56.400 0.042 0.000 0.905 174 E CB 1.164 30.912 29.700 0.078 0.000 0.984 174 E HN 0.229 nan 8.360 nan 0.000 0.427 175 S N 0.087 115.836 115.700 0.081 0.000 2.436 175 S HA -0.129 4.349 4.470 0.012 0.000 0.228 175 S C 2.009 176.677 174.600 0.113 0.000 1.014 175 S CA 0.837 59.090 58.200 0.089 0.000 0.950 175 S CB -0.652 62.587 63.200 0.064 0.000 0.784 175 S HN 0.696 nan 8.310 nan 0.000 0.504 176 C N -0.529 118.842 119.300 0.118 0.000 2.472 176 C HA 0.214 4.682 4.460 0.012 0.000 0.278 176 C C 2.159 177.237 174.990 0.145 0.000 1.447 176 C CA -0.260 58.825 59.018 0.112 0.000 1.773 176 C CB -2.246 25.553 27.740 0.100 0.000 1.793 176 C HN 0.502 nan 8.230 nan 0.000 0.544 177 Y N 2.833 123.158 120.300 0.042 0.000 1.997 177 Y HA -0.284 4.274 4.550 0.014 0.000 0.265 177 Y C 2.412 178.346 175.900 0.056 0.000 1.193 177 Y CA 2.457 60.584 58.100 0.044 0.000 1.106 177 Y CB -0.870 37.611 38.460 0.035 0.000 0.940 177 Y HN 0.246 nan 8.280 nan 0.000 0.494 178 V N 0.671 120.553 119.914 -0.055 0.000 2.343 178 V HA -0.295 3.833 4.120 0.012 0.000 0.247 178 V C 2.140 178.191 176.094 -0.071 0.000 1.051 178 V CA 2.227 64.445 62.300 -0.138 0.000 1.036 178 V CB -0.681 31.132 31.823 -0.016 0.000 0.654 178 V HN 0.455 nan 8.190 nan 0.000 0.451 179 D N -0.162 120.232 120.400 -0.011 0.000 2.144 179 D HA -0.110 4.537 4.640 0.012 0.000 0.200 179 D C 2.185 178.498 176.300 0.021 0.000 0.978 179 D CA 1.167 55.166 54.000 -0.001 0.000 0.833 179 D CB -0.099 40.700 40.800 -0.003 0.000 0.961 179 D HN 0.339 nan 8.370 nan 0.000 0.470 180 V N 1.744 121.684 119.914 0.042 0.000 2.307 180 V HA -0.235 3.892 4.120 0.012 0.000 0.245 180 V C 2.949 179.164 176.094 0.201 0.000 1.045 180 V CA 1.680 64.052 62.300 0.120 0.000 1.024 180 V CB -0.684 31.218 31.823 0.133 0.000 0.651 180 V HN 0.234 nan 8.190 nan 0.000 0.449 181 I N -0.726 119.874 120.570 0.050 0.000 2.286 181 I HA -0.061 4.117 4.170 0.012 0.000 0.248 181 I C 2.542 178.792 176.117 0.223 0.000 1.115 181 I CA 1.288 62.667 61.300 0.132 0.000 1.392 181 I CB -2.180 35.796 38.000 -0.039 0.000 1.065 181 I HN 0.345 nan 8.210 nan 0.000 0.418 182 A N 0.893 123.774 122.820 0.102 0.000 1.969 182 A HA -0.133 4.195 4.320 0.012 0.000 0.218 182 A C 2.377 180.044 177.584 0.139 0.000 1.169 182 A CA 2.331 54.426 52.037 0.096 0.000 0.635 182 A CB -1.451 17.572 19.000 0.039 0.000 0.810 182 A HN 0.610 nan 8.150 nan 0.000 0.445 183 T N -0.766 113.870 114.554 0.136 0.000 2.777 183 T HA -0.071 4.286 4.350 0.012 0.000 0.266 183 T C 1.518 176.282 174.700 0.107 0.000 1.040 183 T CA 1.448 63.602 62.100 0.089 0.000 1.141 183 T CB -0.394 68.469 68.868 -0.009 0.000 0.868 183 T HN 0.411 nan 8.240 nan 0.000 0.444 184 F N 1.255 121.276 119.950 0.117 0.000 2.113 184 F HA 0.045 4.579 4.527 0.012 0.000 0.297 184 F C 2.688 178.657 175.800 0.281 0.000 1.103 184 F CA 0.995 59.088 58.000 0.155 0.000 1.248 184 F CB -0.225 38.784 39.000 0.016 0.000 0.999 184 F HN -0.058 nan 8.300 nan 0.000 0.475 185 R N 0.528 121.315 120.500 0.479 0.000 2.073 185 R HA -0.172 4.176 4.340 0.012 0.000 0.234 185 R C 1.773 178.217 176.300 0.241 0.000 1.134 185 R CA 2.124 58.439 56.100 0.360 0.000 0.952 185 R CB -0.476 29.945 30.300 0.202 0.000 0.850 185 R HN 0.185 nan 8.270 nan 0.000 0.433 186 D N 0.041 120.546 120.400 0.176 0.000 2.144 186 D HA -0.094 4.554 4.640 0.012 0.000 0.200 186 D C 1.686 178.047 176.300 0.101 0.000 0.978 186 D CA 1.363 55.427 54.000 0.107 0.000 0.833 186 D CB -0.198 40.653 40.800 0.085 0.000 0.961 186 D HN 0.358 nan 8.370 nan 0.000 0.470 187 A N 0.424 123.348 122.820 0.174 0.000 1.898 187 A HA -0.131 4.196 4.320 0.012 0.000 0.216 187 A C 2.349 180.081 177.584 0.247 0.000 1.181 187 A CA 1.877 54.049 52.037 0.225 0.000 0.620 187 A CB -0.844 18.311 19.000 0.259 0.000 0.819 187 A HN 0.190 nan 8.150 nan 0.000 0.442 188 T N 0.624 115.356 114.554 0.296 0.000 2.684 188 T HA -0.126 4.232 4.350 0.012 0.000 0.267 188 T C 1.829 176.629 174.700 0.168 0.000 1.036 188 T CA 1.521 63.818 62.100 0.328 0.000 1.148 188 T CB -0.432 68.682 68.868 0.410 0.000 0.863 188 T HN 0.347 nan 8.240 nan 0.000 0.436 189 L N 0.357 121.652 121.223 0.119 0.000 2.042 189 L HA -0.155 4.192 4.340 0.012 0.000 0.210 189 L C 2.708 179.593 176.870 0.025 0.000 1.076 189 L CA 1.514 56.383 54.840 0.048 0.000 0.749 189 L CB -0.397 41.682 42.059 0.032 0.000 0.893 189 L HN 0.225 nan 8.230 nan 0.000 0.432 190 K N -0.868 119.544 120.400 0.020 0.000 2.097 190 K HA -0.129 4.198 4.320 0.012 0.000 0.206 190 K C 2.032 178.689 176.600 0.096 0.000 1.049 190 K CA 1.808 58.118 56.287 0.039 0.000 0.933 190 K CB -0.186 32.194 32.500 -0.200 0.000 0.717 190 K HN 0.328 nan 8.250 nan 0.000 0.442 191 T N 1.603 116.192 114.554 0.058 0.000 2.746 191 T HA -0.102 4.255 4.350 0.012 0.000 0.267 191 T C 1.896 176.519 174.700 -0.128 0.000 1.039 191 T CA 1.116 63.172 62.100 -0.073 0.000 1.142 191 T CB -0.212 68.474 68.868 -0.304 0.000 0.866 191 T HN 0.121 nan 8.240 nan 0.000 0.444 192 I N 0.873 121.397 120.570 -0.077 0.000 2.208 192 I HA -0.164 4.013 4.170 0.012 0.000 0.245 192 I C 2.206 178.309 176.117 -0.024 0.000 1.097 192 I CA 1.021 62.285 61.300 -0.060 0.000 1.363 192 I CB -0.390 37.589 38.000 -0.036 0.000 1.051 192 I HN 0.180 nan 8.210 nan 0.000 0.413 193 I N 0.774 121.333 120.570 -0.018 0.000 2.252 193 I HA -0.164 4.014 4.170 0.012 0.000 0.245 193 I C 2.688 178.806 176.117 0.002 0.000 1.102 193 I CA 1.725 63.011 61.300 -0.025 0.000 1.385 193 I CB -2.022 35.927 38.000 -0.085 0.000 1.064 193 I HN 0.241 nan 8.210 nan 0.000 0.414 194 G N 0.067 108.881 108.800 0.023 0.000 2.408 194 G HA2 -0.303 3.664 3.960 0.012 0.000 0.217 194 G HA3 -0.303 3.664 3.960 0.012 0.000 0.217 194 G C 1.597 176.472 174.900 -0.041 0.000 1.150 194 G CA 0.781 45.895 45.100 0.023 0.000 0.776 194 G HN 0.354 nan 8.290 nan 0.000 0.542 195 Q N 0.222 119.986 119.800 -0.059 0.000 2.079 195 Q HA -0.120 4.227 4.340 0.012 0.000 0.200 195 Q C 2.143 178.099 176.000 -0.073 0.000 0.974 195 Q CA 2.073 57.822 55.803 -0.089 0.000 0.840 195 Q CB -0.665 28.000 28.738 -0.122 0.000 0.898 195 Q HN 0.692 nan 8.270 nan 0.000 0.430 196 H N -0.491 118.513 119.070 -0.110 0.000 2.319 196 H HA -0.081 4.483 4.556 0.013 0.000 0.299 196 H C 1.686 176.916 175.328 -0.162 0.000 1.092 196 H CA 2.158 58.144 56.048 -0.104 0.000 1.302 196 H CB -0.193 29.531 29.762 -0.063 0.000 1.373 196 H HN 0.304 nan 8.280 nan 0.000 0.497 197 L N -0.294 120.862 121.223 -0.112 0.000 2.046 197 L HA -0.143 4.205 4.340 0.012 0.000 0.208 197 L C 2.269 178.937 176.870 -0.336 0.000 1.077 197 L CA 1.609 56.308 54.840 -0.235 0.000 0.747 197 L CB -0.439 41.556 42.059 -0.107 0.000 0.896 197 L HN 0.353 nan 8.230 nan 0.000 0.432 198 D N -0.619 119.634 120.400 -0.245 0.000 2.178 198 D HA -0.153 4.494 4.640 0.012 0.000 0.201 198 D C 2.018 178.161 176.300 -0.262 0.000 0.980 198 D CA 1.296 55.154 54.000 -0.238 0.000 0.842 198 D CB 0.209 40.914 40.800 -0.159 0.000 0.948 198 D HN 0.145 nan 8.370 nan 0.000 0.472 199 T N -0.618 113.769 114.554 -0.278 0.000 2.937 199 T HA 0.023 4.380 4.350 0.012 0.000 0.260 199 T C 1.253 175.756 174.700 -0.327 0.000 1.051 199 T CA 0.644 62.590 62.100 -0.256 0.000 1.141 199 T CB 0.047 68.781 68.868 -0.224 0.000 0.879 199 T HN 0.161 nan 8.240 nan 0.000 0.459 200 N N 0.315 118.701 118.700 -0.523 0.000 2.184 200 N HA 0.199 4.947 4.740 0.012 0.000 0.206 200 N C 1.285 176.288 175.510 -0.844 0.000 1.151 200 N CA -0.079 52.588 53.050 -0.638 0.000 0.878 200 N CB 0.374 38.364 38.487 -0.829 0.000 1.014 200 N HN 0.179 nan 8.380 nan 0.000 0.512 201 I N 0.491 120.622 120.570 -0.732 0.000 2.315 201 I HA -0.181 3.997 4.170 0.012 0.000 0.251 201 I C 0.688 176.655 176.117 -0.251 0.000 1.125 201 I CA 1.419 62.352 61.300 -0.612 0.000 1.392 201 I CB -0.103 37.557 38.000 -0.566 0.000 1.065 201 I HN -0.069 nan 8.210 nan 0.000 0.424 202 F N -0.032 119.813 119.950 -0.176 0.000 2.641 202 F HA 0.322 4.857 4.527 0.013 0.000 0.302 202 F C 1.435 177.201 175.800 -0.056 0.000 1.098 202 F CA -0.499 57.452 58.000 -0.082 0.000 1.318 202 F CB -1.378 37.587 39.000 -0.057 0.000 1.035 202 F HN -0.018 nan 8.300 nan 0.000 0.551 203 S N -0.688 115.054 115.700 0.070 0.000 2.603 203 S HA 0.103 4.580 4.470 0.012 0.000 0.268 203 S C 1.100 175.766 174.600 0.110 0.000 1.317 203 S CA -0.639 57.597 58.200 0.060 0.000 1.012 203 S CB 1.170 64.368 63.200 -0.004 0.000 0.926 203 S HN 0.127 nan 8.310 nan 0.000 0.539 204 D N 2.094 122.538 120.400 0.074 0.000 2.133 204 D HA -0.169 4.478 4.640 0.012 0.000 0.195 204 D C 1.739 178.072 176.300 0.053 0.000 0.997 204 D CA 1.982 56.015 54.000 0.055 0.000 0.840 204 D CB -0.383 40.434 40.800 0.030 0.000 0.947 204 D HN 0.848 nan 8.370 nan 0.000 0.452 205 K N -0.477 119.974 120.400 0.086 0.000 2.362 205 K HA -0.089 4.238 4.320 0.012 0.000 0.200 205 K C 1.815 178.449 176.600 0.055 0.000 1.046 205 K CA 0.853 57.174 56.287 0.057 0.000 0.952 205 K CB -0.550 31.994 32.500 0.075 0.000 0.753 205 K HN 0.286 nan 8.250 nan 0.000 0.466 206 Y N 0.690 120.976 120.300 -0.022 0.000 2.436 206 Y HA 0.076 4.633 4.550 0.012 0.000 0.288 206 Y C 1.986 177.887 175.900 0.002 0.000 1.112 206 Y CA 0.553 58.650 58.100 -0.006 0.000 1.220 206 Y CB 0.514 38.975 38.460 0.002 0.000 1.073 206 Y HN 0.019 nan 8.280 nan 0.000 0.552 207 S N -0.667 115.120 115.700 0.145 0.000 2.446 207 S HA -0.062 4.415 4.470 0.012 0.000 0.225 207 S C -0.150 174.476 174.600 0.044 0.000 1.016 207 S CA 0.901 59.158 58.200 0.094 0.000 0.943 207 S CB -0.106 63.146 63.200 0.088 0.000 0.786 207 S HN 0.307 nan 8.310 nan 0.000 0.508 208 D N 0.963 121.320 120.400 -0.072 0.000 2.863 208 D HA 0.536 5.183 4.640 0.012 0.000 0.323 208 D C 0.688 176.666 176.300 -0.537 0.000 1.286 208 D CA -0.166 53.600 54.000 -0.390 0.000 0.921 208 D CB 0.456 41.056 40.800 -0.334 0.000 1.024 208 D HN 0.147 nan 8.370 nan 0.000 0.505 209 A N 0.838 123.481 122.820 -0.295 0.000 2.019 209 A HA -0.235 4.093 4.320 0.012 0.000 0.219 209 A C 1.822 179.300 177.584 -0.177 0.000 1.164 209 A CA 1.127 53.049 52.037 -0.192 0.000 0.644 209 A CB -0.751 18.198 19.000 -0.085 0.000 0.805 209 A HN 0.623 nan 8.150 nan 0.000 0.449 210 H N -1.333 117.726 119.070 -0.019 0.000 2.423 210 H HA 0.055 4.618 4.556 0.012 0.000 0.297 210 H C 1.131 176.452 175.328 -0.011 0.000 1.075 210 H CA 1.069 57.109 56.048 -0.014 0.000 1.342 210 H CB -0.699 29.059 29.762 -0.007 0.000 1.395 210 H HN 0.495 nan 8.280 nan 0.000 0.530 211 R N 2.885 123.203 120.500 -0.303 0.000 2.312 211 R HA 0.199 4.546 4.340 0.012 0.000 0.311 211 R C 0.366 176.606 176.300 -0.101 0.000 1.004 211 R CA -0.194 55.839 56.100 -0.111 0.000 0.902 211 R CB -0.044 30.190 30.300 -0.109 0.000 1.073 211 R HN 0.764 nan 8.270 nan 0.000 0.457 212 E N 1.903 122.078 120.200 -0.042 0.000 2.392 212 E HA 0.243 4.600 4.350 0.012 0.000 0.256 212 E C -0.575 176.008 176.600 -0.029 0.000 1.145 212 E CA -0.553 55.826 56.400 -0.036 0.000 0.929 212 E CB 0.745 30.434 29.700 -0.018 0.000 0.998 212 E HN 0.552 nan 8.360 nan 0.000 0.442 213 I N 1.931 122.489 120.570 -0.020 0.000 2.587 213 I HA -0.085 4.092 4.170 0.012 0.000 0.284 213 I C 0.357 176.473 176.117 -0.003 0.000 1.134 213 I CA 0.214 61.511 61.300 -0.007 0.000 1.410 213 I CB 0.120 38.123 38.000 0.005 0.000 1.392 213 I HN 0.534 nan 8.210 nan 0.000 0.545 214 D N 6.691 127.091 120.400 0.000 0.000 2.344 214 D HA 0.047 4.694 4.640 0.012 0.000 0.253 214 D C 0.964 177.267 176.300 0.004 0.000 1.255 214 D CA -0.290 53.712 54.000 0.003 0.000 0.894 214 D CB 1.140 41.942 40.800 0.004 0.000 1.067 214 D HN 0.349 nan 8.370 nan 0.000 0.492 215 V N 1.709 121.625 119.914 0.004 0.000 3.592 215 V HA 0.091 4.219 4.120 0.012 0.000 0.272 215 V C 0.804 176.901 176.094 0.005 0.000 1.228 215 V CA 0.543 62.846 62.300 0.005 0.000 1.173 215 V CB -0.479 31.347 31.823 0.004 0.000 0.873 215 V HN 0.402 nan 8.190 nan 0.000 0.476 216 N N 0.993 119.695 118.700 0.005 0.000 2.184 216 N HA 0.117 4.865 4.740 0.012 0.000 0.206 216 N C 0.141 175.654 175.510 0.005 0.000 1.151 216 N CA 0.102 53.154 53.050 0.005 0.000 0.878 216 N CB 0.243 38.733 38.487 0.004 0.000 1.014 216 N HN 0.537 nan 8.380 nan 0.000 0.512 217 N N 1.754 120.458 118.700 0.005 0.000 2.439 217 N HA 0.166 4.913 4.740 0.012 0.000 0.249 217 N C 0.348 175.862 175.510 0.006 0.000 1.003 217 N CA -0.310 52.743 53.050 0.006 0.000 0.942 217 N CB 0.480 38.971 38.487 0.006 0.000 1.115 217 N HN 0.138 nan 8.380 nan 0.000 0.505 218 I N -0.716 119.857 120.570 0.005 0.000 3.936 218 I HA 0.438 4.615 4.170 0.012 0.000 0.330 218 I C -0.219 175.901 176.117 0.004 0.000 1.509 218 I CA -0.774 60.529 61.300 0.005 0.000 1.126 218 I CB -0.150 37.853 38.000 0.004 0.000 1.115 218 I HN 0.087 nan 8.210 nan 0.000 0.424 219 N N 2.105 120.808 118.700 0.004 0.000 2.381 219 N HA 0.332 5.079 4.740 0.012 0.000 0.254 219 N C 0.292 175.805 175.510 0.003 0.000 1.264 219 N CA 0.069 53.121 53.050 0.004 0.000 0.942 219 N CB 1.193 39.682 38.487 0.004 0.000 1.190 219 N HN 0.218 nan 8.380 nan 0.000 0.495 220 V N 0.708 120.624 119.914 0.003 0.000 2.715 220 V HA 0.188 4.316 4.120 0.012 0.000 0.299 220 V C -1.268 174.828 176.094 0.003 0.000 1.054 220 V CA -0.983 61.319 62.300 0.002 0.000 1.077 220 V CB -0.986 30.837 31.823 0.001 0.000 0.972 220 V HN 0.535 nan 8.190 nan 0.000 0.484 224 P HA 0.667 nan 4.420 nan 0.000 0.276 224 P C -0.444 176.865 177.300 0.016 0.000 1.230 224 P CA -0.334 62.781 63.100 0.025 0.000 0.776 224 P CB 1.240 32.963 31.700 0.039 0.000 0.888 225 V N 0.756 120.670 119.914 -0.001 0.000 2.925 225 V HA 0.542 4.669 4.120 0.012 0.000 0.311 225 V C 0.189 176.163 176.094 -0.199 0.000 1.104 225 V CA -1.418 60.845 62.300 -0.062 0.000 0.954 225 V CB 1.643 33.431 31.823 -0.057 0.000 1.022 225 V HN 0.629 nan 8.190 nan 0.000 0.427 226 I N -0.146 120.177 120.570 -0.412 0.000 2.836 226 I HA 0.519 4.697 4.170 0.012 0.000 0.285 226 I C -0.463 175.239 176.117 -0.692 0.000 1.174 226 I CA 0.557 61.221 61.300 -1.060 0.000 1.405 226 I CB 0.880 38.212 38.000 -1.113 0.000 1.385 226 I HN 0.831 nan 8.210 nan 0.000 0.594 227 D N 5.255 125.211 120.400 -0.740 0.000 2.453 227 D HA 0.221 4.868 4.640 0.012 0.000 0.238 227 D C 0.960 177.133 176.300 -0.211 0.000 1.088 227 D CA -0.703 53.159 54.000 -0.230 0.000 0.854 227 D CB 1.474 42.300 40.800 0.044 0.000 1.076 227 D HN 0.531 nan 8.370 nan 0.000 0.533 228 I N 1.387 121.823 120.570 -0.224 0.000 2.530 228 I HA -0.120 4.057 4.170 0.012 0.000 0.257 228 I C 1.486 177.548 176.117 -0.091 0.000 1.179 228 I CA 0.913 62.064 61.300 -0.248 0.000 1.440 228 I CB -1.191 36.763 38.000 -0.076 0.000 1.087 228 I HN 0.423 nan 8.210 nan 0.000 0.440 229 N N 0.197 118.890 118.700 -0.010 0.000 2.453 229 N HA -0.023 4.725 4.740 0.012 0.000 0.183 229 N C 1.509 177.055 175.510 0.060 0.000 1.041 229 N CA 1.509 54.581 53.050 0.037 0.000 0.900 229 N CB -0.098 38.420 38.487 0.051 0.000 0.961 229 N HN 0.474 nan 8.380 nan 0.000 0.443 230 M N 0.067 119.722 119.600 0.091 0.000 2.414 230 M HA 0.223 4.710 4.480 0.012 0.000 0.251 230 M C 0.484 176.851 176.300 0.113 0.000 1.116 230 M CA 0.005 55.387 55.300 0.136 0.000 1.056 230 M CB -0.112 32.629 32.600 0.234 0.000 1.388 230 M HN -0.079 nan 8.290 nan 0.000 0.487 231 I N 3.121 123.705 120.570 0.023 0.000 2.352 231 I HA -0.008 4.169 4.170 0.012 0.000 0.303 231 I C -0.274 175.826 176.117 -0.027 0.000 1.194 231 I CA -0.153 61.097 61.300 -0.083 0.000 1.518 231 I CB -1.112 36.609 38.000 -0.465 0.000 1.489 231 I HN 0.325 nan 8.210 nan 0.000 0.702 232 N N 2.900 121.630 118.700 0.049 0.000 2.504 232 N HA 0.172 4.920 4.740 0.012 0.000 0.268 232 N C -0.035 175.585 175.510 0.184 0.000 1.184 232 N CA -0.861 52.252 53.050 0.105 0.000 0.875 232 N CB 0.714 39.263 38.487 0.103 0.000 1.630 232 N HN 0.028 nan 8.380 nan 0.000 0.486 233 F N 1.159 121.146 119.950 0.062 0.000 2.365 233 F HA 0.229 4.764 4.527 0.013 0.000 0.300 233 F C 1.967 177.882 175.800 0.193 0.000 1.090 233 F CA 1.837 59.919 58.000 0.136 0.000 1.408 233 F CB -0.327 38.744 39.000 0.119 0.000 1.060 233 F HN 0.787 nan 8.300 nan 0.000 0.534 234 G N -0.320 108.592 108.800 0.186 0.000 2.421 234 G HA2 -0.211 3.757 3.960 0.012 0.000 0.216 234 G HA3 -0.211 3.757 3.960 0.012 0.000 0.216 234 G C 1.784 176.709 174.900 0.042 0.000 1.171 234 G CA 1.156 46.316 45.100 0.100 0.000 0.775 234 G HN 0.282 nan 8.290 nan 0.000 0.543 235 V N -0.177 119.771 119.914 0.058 0.000 2.358 235 V HA -0.173 3.955 4.120 0.012 0.000 0.246 235 V C 2.267 178.360 176.094 -0.001 0.000 1.047 235 V CA 1.726 64.044 62.300 0.031 0.000 1.035 235 V CB -0.717 31.130 31.823 0.039 0.000 0.658 235 V HN 0.453 nan 8.190 nan 0.000 0.452 236 Y N 1.278 121.510 120.300 -0.113 0.000 2.081 236 Y HA -0.307 4.251 4.550 0.013 0.000 0.280 236 Y C 2.552 178.334 175.900 -0.197 0.000 1.163 236 Y CA 2.112 60.120 58.100 -0.154 0.000 1.135 236 Y CB -0.237 38.130 38.460 -0.156 0.000 0.970 236 Y HN 0.152 nan 8.280 nan 0.000 0.498 237 K N 0.038 120.291 120.400 -0.246 0.000 2.057 237 K HA -0.204 4.124 4.320 0.012 0.000 0.207 237 K C 1.994 178.529 176.600 -0.109 0.000 1.049 237 K CA 1.661 57.798 56.287 -0.250 0.000 0.931 237 K CB -0.363 31.995 32.500 -0.237 0.000 0.714 237 K HN 0.502 nan 8.250 nan 0.000 0.440 238 N N 0.654 119.330 118.700 -0.039 0.000 2.061 238 N HA -0.189 4.558 4.740 0.012 0.000 0.193 238 N C 1.903 177.467 175.510 0.090 0.000 1.030 238 N CA 1.262 54.351 53.050 0.064 0.000 0.856 238 N CB -0.141 38.356 38.487 0.018 0.000 1.023 238 N HN 0.109 nan 8.380 nan 0.000 0.424 239 I N 0.506 121.035 120.570 -0.068 0.000 2.090 239 I HA -0.235 3.942 4.170 0.012 0.000 0.236 239 I C 2.275 178.340 176.117 -0.087 0.000 1.064 239 I CA 0.961 62.197 61.300 -0.106 0.000 1.324 239 I CB -0.462 37.411 38.000 -0.211 0.000 1.044 239 I HN -0.031 nan 8.210 nan 0.000 0.399 240 V N 0.729 120.496 119.914 -0.245 0.000 2.392 240 V HA -0.277 3.851 4.120 0.012 0.000 0.249 240 V C 2.633 178.707 176.094 -0.033 0.000 1.059 240 V CA 1.659 63.831 62.300 -0.214 0.000 1.051 240 V CB -0.348 31.183 31.823 -0.486 0.000 0.658 240 V HN 0.299 nan 8.190 nan 0.000 0.455 241 I N -0.735 119.825 120.570 -0.016 0.000 2.202 241 I HA -0.228 3.950 4.170 0.012 0.000 0.242 241 I C 2.309 178.455 176.117 0.048 0.000 1.091 241 I CA 1.726 63.017 61.300 -0.014 0.000 1.368 241 I CB -1.279 36.694 38.000 -0.046 0.000 1.058 241 I HN 0.575 nan 8.210 nan 0.000 0.410 242 H N -0.144 119.009 119.070 0.139 0.000 2.363 242 H HA -0.082 4.480 4.556 0.010 0.000 0.301 242 H C 2.292 177.696 175.328 0.128 0.000 1.074 242 H CA 1.753 57.896 56.048 0.158 0.000 1.354 242 H CB -0.159 29.628 29.762 0.042 0.000 1.397 242 H HN 0.297 nan 8.280 nan 0.000 0.516 243 K N -0.379 120.120 120.400 0.163 0.000 2.097 243 K HA -0.080 4.247 4.320 0.012 0.000 0.205 243 K C 0.952 177.672 176.600 0.200 0.000 1.050 243 K CA 1.806 58.147 56.287 0.089 0.000 0.938 243 K CB 0.335 32.844 32.500 0.014 0.000 0.718 243 K HN 0.290 nan 8.250 nan 0.000 0.442 244 T N -1.070 113.610 114.554 0.210 0.000 3.125 244 T HA 0.201 4.559 4.350 0.012 0.000 0.252 244 T C 1.752 176.508 174.700 0.094 0.000 0.981 244 T CA 0.272 62.497 62.100 0.209 0.000 1.069 244 T CB -0.057 68.960 68.868 0.249 0.000 1.091 244 T HN 0.186 nan 8.240 nan 0.000 0.460 245 A N 0.882 123.777 122.820 0.124 0.000 1.917 245 A HA -0.115 4.213 4.320 0.012 0.000 0.219 245 A C 2.008 179.583 177.584 -0.016 0.000 1.182 245 A CA 1.647 53.726 52.037 0.070 0.000 0.633 245 A CB -1.113 17.799 19.000 -0.146 0.000 0.819 245 A HN 0.562 nan 8.150 nan 0.000 0.448 246 Y N -1.421 118.934 120.300 0.093 0.000 2.184 246 Y HA -0.183 4.374 4.550 0.012 0.000 0.290 246 Y C 2.446 178.460 175.900 0.191 0.000 1.129 246 Y CA 1.943 60.135 58.100 0.153 0.000 1.144 246 Y CB -0.628 37.890 38.460 0.096 0.000 0.995 246 Y HN 0.638 nan 8.280 nan 0.000 0.513 247 Y N -2.184 118.238 120.300 0.203 0.000 2.420 247 Y HA 0.087 4.644 4.550 0.011 0.000 0.292 247 Y C 1.989 177.857 175.900 -0.055 0.000 1.119 247 Y CA 0.868 59.038 58.100 0.116 0.000 1.229 247 Y CB -0.677 37.950 38.460 0.278 0.000 1.026 247 Y HN -0.124 nan 8.280 nan 0.000 0.554 248 S N -0.228 114.947 115.700 -0.876 0.000 2.446 248 S HA 0.117 4.595 4.470 0.012 0.000 0.225 248 S C 0.914 174.860 174.600 -1.090 0.000 1.016 248 S CA 1.013 58.501 58.200 -1.187 0.000 0.943 248 S CB -0.242 62.040 63.200 -1.531 0.000 0.786 248 S HN 0.493 nan 8.310 nan 0.000 0.508 249 F N -1.167 118.631 119.950 -0.253 0.000 2.495 249 F HA 0.384 4.917 4.527 0.011 0.000 0.272 249 F C 1.592 177.350 175.800 -0.069 0.000 0.919 249 F CA -0.714 57.182 58.000 -0.172 0.000 1.178 249 F CB -0.703 38.198 39.000 -0.166 0.000 1.030 249 F HN 0.056 nan 8.300 nan 0.000 0.777 250 F N 1.385 121.331 119.950 -0.006 0.000 2.046 250 F HA -0.205 4.328 4.527 0.010 0.000 0.297 250 F C 2.319 178.114 175.800 -0.009 0.000 1.123 250 F CA 1.540 59.531 58.000 -0.015 0.000 1.199 250 F CB -0.730 38.248 39.000 -0.036 0.000 0.972 250 F HN -0.035 nan 8.300 nan 0.000 0.474 251 L N 1.753 122.967 121.223 -0.015 0.000 1.990 251 L HA -0.127 4.221 4.340 0.012 0.000 0.213 251 L C -0.756 175.948 176.870 -0.277 0.000 1.072 251 L CA 2.312 57.027 54.840 -0.209 0.000 0.755 251 L CB -2.094 39.846 42.059 -0.197 0.000 0.889 251 L HN 0.048 nan 8.230 nan 0.000 0.432 252 P HA -0.149 nan 4.420 nan 0.000 0.217 252 P C 2.083 179.298 177.300 -0.143 0.000 1.150 252 P CA 1.785 64.771 63.100 -0.191 0.000 0.832 252 P CB -0.066 31.509 31.700 -0.209 0.000 0.787 253 I N -0.669 119.818 120.570 -0.139 0.000 2.202 253 I HA -0.169 4.009 4.170 0.012 0.000 0.242 253 I C 2.525 178.566 176.117 -0.128 0.000 1.091 253 I CA 1.124 62.357 61.300 -0.113 0.000 1.368 253 I CB -0.918 37.029 38.000 -0.089 0.000 1.058 253 I HN -0.228 nan 8.210 nan 0.000 0.410 254 V N 0.124 119.897 119.914 -0.234 0.000 2.407 254 V HA -0.325 3.803 4.120 0.012 0.000 0.248 254 V C 2.594 178.657 176.094 -0.052 0.000 1.055 254 V CA 1.677 63.885 62.300 -0.153 0.000 1.049 254 V CB -0.623 30.917 31.823 -0.472 0.000 0.662 254 V HN 0.587 nan 8.190 nan 0.000 0.455 255 C N 0.532 119.776 119.300 -0.095 0.000 2.413 255 C HA -0.101 4.367 4.460 0.012 0.000 0.277 255 C C 2.984 177.988 174.990 0.023 0.000 1.228 255 C CA 1.088 60.090 59.018 -0.027 0.000 1.731 255 C CB -1.618 26.095 27.740 -0.045 0.000 2.042 255 C HN 0.672 nan 8.230 nan 0.000 0.468 256 G N -0.149 108.669 108.800 0.030 0.000 2.440 256 G HA2 -0.259 3.708 3.960 0.012 0.000 0.218 256 G HA3 -0.259 3.708 3.960 0.012 0.000 0.218 256 G C 1.597 176.596 174.900 0.166 0.000 1.154 256 G CA 1.031 46.206 45.100 0.125 0.000 0.767 256 G HN 0.523 nan 8.290 nan 0.000 0.552 257 M N -0.350 119.301 119.600 0.084 0.000 2.123 257 M HA 0.148 4.635 4.480 0.012 0.000 0.263 257 M C 2.589 178.985 176.300 0.159 0.000 1.069 257 M CA 0.885 56.231 55.300 0.076 0.000 1.133 257 M CB -0.328 32.260 32.600 -0.020 0.000 1.356 257 M HN 0.124 nan 8.290 nan 0.000 0.415 258 L N -0.119 121.208 121.223 0.174 0.000 2.017 258 L HA -0.225 4.123 4.340 0.012 0.000 0.208 258 L C 2.444 179.393 176.870 0.131 0.000 1.073 258 L CA 0.868 55.797 54.840 0.147 0.000 0.745 258 L CB -0.428 41.682 42.059 0.085 0.000 0.894 258 L HN 0.287 nan 8.230 nan 0.000 0.432 259 L N -0.380 120.921 121.223 0.131 0.000 2.141 259 L HA -0.092 4.256 4.340 0.012 0.000 0.209 259 L C 2.507 179.547 176.870 0.282 0.000 1.094 259 L CA 1.790 56.712 54.840 0.136 0.000 0.763 259 L CB -0.584 41.460 42.059 -0.025 0.000 0.908 259 L HN 0.145 nan 8.230 nan 0.000 0.437 260 A N -0.662 122.335 122.820 0.295 0.000 1.930 260 A HA 0.309 4.637 4.320 0.012 0.000 0.217 260 A C 1.503 179.132 177.584 0.075 0.000 1.175 260 A CA 0.963 53.083 52.037 0.139 0.000 0.627 260 A CB -0.790 18.222 19.000 0.019 0.000 0.815 260 A HN 0.857 nan 8.150 nan 0.000 0.443 261 G N -1.005 107.854 108.800 0.098 0.000 2.932 261 G HA2 0.109 4.077 3.960 0.012 0.000 0.180 261 G HA3 0.109 4.077 3.960 0.012 0.000 0.180 261 G C -0.370 174.582 174.900 0.087 0.000 1.072 261 G CA 0.030 45.179 45.100 0.082 0.000 0.997 261 G HN 1.372 nan 8.290 nan 0.000 0.541 266 N N 0.159 119.072 118.700 0.356 0.000 2.493 266 N HA 0.540 5.287 4.740 0.012 0.000 0.275 266 N C 1.372 177.025 175.510 0.240 0.000 1.186 266 N CA 0.918 54.110 53.050 0.237 0.000 0.978 266 N CB 1.225 39.802 38.487 0.150 0.000 1.184 266 N HN 1.177 nan 8.380 nan 0.000 0.487 267 L N 2.511 123.819 121.223 0.141 0.000 2.353 267 L HA 0.037 4.384 4.340 0.012 0.000 0.220 267 L C 2.226 179.158 176.870 0.104 0.000 1.133 267 L CA 1.630 56.542 54.840 0.120 0.000 0.798 267 L CB -1.643 40.468 42.059 0.086 0.000 0.922 267 L HN 0.822 nan 8.230 nan 0.000 0.445 268 I N -2.131 118.469 120.570 0.052 0.000 2.493 268 I HA -0.242 3.936 4.170 0.012 0.000 0.254 268 I C 2.599 178.696 176.117 -0.033 0.000 1.160 268 I CA 1.166 62.448 61.300 -0.031 0.000 1.445 268 I CB 0.024 37.958 38.000 -0.110 0.000 1.086 268 I HN 0.538 nan 8.210 nan 0.000 0.433 269 Y N 0.911 121.257 120.300 0.077 0.000 2.224 269 Y HA -0.298 4.261 4.550 0.014 0.000 0.289 269 Y C 2.500 178.520 175.900 0.200 0.000 1.146 269 Y CA 1.721 59.902 58.100 0.135 0.000 1.182 269 Y CB -0.493 38.049 38.460 0.138 0.000 0.983 269 Y HN 0.088 nan 8.280 nan 0.000 0.524 270 K N 0.961 121.522 120.400 0.268 0.000 2.103 270 K HA -0.098 4.230 4.320 0.012 0.000 0.204 270 K C 2.311 178.969 176.600 0.096 0.000 1.052 270 K CA 1.780 58.163 56.287 0.160 0.000 0.945 270 K CB -0.311 32.256 32.500 0.112 0.000 0.722 270 K HN 0.143 nan 8.250 nan 0.000 0.443 271 K N 1.022 121.467 120.400 0.076 0.000 2.057 271 K HA -0.037 4.290 4.320 0.012 0.000 0.206 271 K C 2.058 178.667 176.600 0.016 0.000 1.050 271 K CA 1.648 57.948 56.287 0.023 0.000 0.935 271 K CB -1.188 31.312 32.500 0.000 0.000 0.715 271 K HN 0.517 nan 8.250 nan 0.000 0.439 272 I N -1.091 119.513 120.570 0.057 0.000 2.493 272 I HA -0.020 4.158 4.170 0.012 0.000 0.254 272 I C 2.240 178.462 176.117 0.176 0.000 1.160 272 I CA 1.982 63.329 61.300 0.078 0.000 1.445 272 I CB -0.086 37.937 38.000 0.039 0.000 1.086 272 I HN 0.461 nan 8.210 nan 0.000 0.433 273 E N 1.122 121.444 120.200 0.203 0.000 2.077 273 E HA -0.242 4.115 4.350 0.012 0.000 0.193 273 E C 1.585 178.084 176.600 -0.170 0.000 0.989 273 E CA 1.622 57.968 56.400 -0.090 0.000 0.800 273 E CB -0.015 29.539 29.700 -0.242 0.000 0.746 273 E HN 0.570 nan 8.360 nan 0.000 0.452 274 D N -0.087 120.261 120.400 -0.087 0.000 2.117 274 D HA -0.126 4.521 4.640 0.012 0.000 0.198 274 D C 2.034 178.268 176.300 -0.111 0.000 0.982 274 D CA 0.815 54.759 54.000 -0.094 0.000 0.828 274 D CB -0.239 40.529 40.800 -0.053 0.000 0.967 274 D HN 0.133 nan 8.370 nan 0.000 0.464 275 I N 0.567 121.077 120.570 -0.101 0.000 2.252 275 I HA -0.180 3.998 4.170 0.012 0.000 0.245 275 I C 2.577 178.576 176.117 -0.196 0.000 1.102 275 I CA 0.851 62.067 61.300 -0.140 0.000 1.385 275 I CB -1.105 36.819 38.000 -0.128 0.000 1.064 275 I HN 0.099 nan 8.210 nan 0.000 0.414 276 S N -0.001 115.609 115.700 -0.149 0.000 2.374 276 S HA -0.275 4.203 4.470 0.012 0.000 0.227 276 S C 2.034 176.486 174.600 -0.247 0.000 1.037 276 S CA 1.888 59.994 58.200 -0.156 0.000 1.024 276 S CB -0.442 62.757 63.200 -0.002 0.000 0.861 276 S HN 0.538 nan 8.310 nan 0.000 0.456 277 M N 0.283 119.727 119.600 -0.261 0.000 2.117 277 M HA -0.087 4.400 4.480 0.012 0.000 0.262 277 M C 1.748 177.970 176.300 -0.129 0.000 1.065 277 M CA 1.191 56.358 55.300 -0.222 0.000 1.114 277 M CB -0.483 31.994 32.600 -0.205 0.000 1.361 277 M HN 0.227 nan 8.290 nan 0.000 0.408 278 L N -0.279 120.866 121.223 -0.131 0.000 2.093 278 L HA -0.104 4.244 4.340 0.012 0.000 0.208 278 L C 2.325 179.125 176.870 -0.117 0.000 1.085 278 L CA 1.810 56.602 54.840 -0.080 0.000 0.755 278 L CB -0.856 41.138 42.059 -0.109 0.000 0.904 278 L HN 0.356 nan 8.230 nan 0.000 0.435 279 M N -1.519 117.880 119.600 -0.334 0.000 2.254 279 M HA -0.044 4.443 4.480 0.012 0.000 0.265 279 M C 2.213 178.242 176.300 -0.452 0.000 1.066 279 M CA 1.422 56.360 55.300 -0.603 0.000 1.123 279 M CB -0.810 31.047 32.600 -1.238 0.000 1.388 279 M HN 0.354 nan 8.290 nan 0.000 0.425 280 G N 0.174 108.824 108.800 -0.250 0.000 2.404 280 G HA2 -0.229 3.739 3.960 0.012 0.000 0.215 280 G HA3 -0.229 3.739 3.960 0.012 0.000 0.215 280 G C 1.347 176.397 174.900 0.250 0.000 1.174 280 G CA 0.800 46.004 45.100 0.173 0.000 0.780 280 G HN 0.504 nan 8.290 nan 0.000 0.537 281 E N -0.583 119.719 120.200 0.169 0.000 2.058 281 E HA -0.237 4.120 4.350 0.012 0.000 0.194 281 E C 2.064 178.887 176.600 0.372 0.000 0.997 281 E CA 1.181 57.725 56.400 0.241 0.000 0.801 281 E CB -0.315 29.531 29.700 0.243 0.000 0.746 281 E HN 0.552 nan 8.360 nan 0.000 0.450 282 Y N -0.027 120.428 120.300 0.257 0.000 2.145 282 Y HA -0.270 4.287 4.550 0.012 0.000 0.286 282 Y C 2.063 178.208 175.900 0.408 0.000 1.145 282 Y CA 2.145 60.445 58.100 0.333 0.000 1.148 282 Y CB -0.503 38.048 38.460 0.151 0.000 0.981 282 Y HN 0.160 nan 8.280 nan 0.000 0.507 283 F N 0.931 121.115 119.950 0.391 0.000 2.134 283 F HA -0.192 4.343 4.527 0.013 0.000 0.299 283 F C 2.434 178.395 175.800 0.268 0.000 1.097 283 F CA 2.095 60.340 58.000 0.408 0.000 1.264 283 F CB -0.597 38.719 39.000 0.526 0.000 1.001 283 F HN 0.152 nan 8.300 nan 0.000 0.479 284 Q N 0.818 120.768 119.800 0.250 0.000 2.079 284 Q HA -0.109 4.238 4.340 0.012 0.000 0.200 284 Q C 2.068 178.099 176.000 0.051 0.000 0.974 284 Q CA 2.058 57.926 55.803 0.109 0.000 0.840 284 Q CB -0.536 28.297 28.738 0.159 0.000 0.898 284 Q HN 0.618 nan 8.270 nan 0.000 0.430 285 I N -0.333 120.284 120.570 0.078 0.000 2.286 285 I HA -0.296 3.881 4.170 0.012 0.000 0.248 285 I C 2.178 178.151 176.117 -0.240 0.000 1.115 285 I CA 1.560 62.809 61.300 -0.086 0.000 1.392 285 I CB -0.298 37.417 38.000 -0.476 0.000 1.065 285 I HN 0.373 nan 8.210 nan 0.000 0.418 286 H N 0.514 119.363 119.070 -0.369 0.000 2.387 286 H HA -0.225 4.338 4.556 0.012 0.000 0.299 286 H C 1.834 176.860 175.328 -0.504 0.000 1.090 286 H CA 2.185 57.842 56.048 -0.652 0.000 1.332 286 H CB -0.100 29.110 29.762 -0.919 0.000 1.386 286 H HN 0.332 nan 8.280 nan 0.000 0.516 287 D N -0.671 119.463 120.400 -0.442 0.000 2.117 287 D HA -0.136 4.511 4.640 0.012 0.000 0.198 287 D C 1.537 177.676 176.300 -0.268 0.000 0.982 287 D CA 1.460 55.232 54.000 -0.380 0.000 0.828 287 D CB -0.098 40.517 40.800 -0.308 0.000 0.967 287 D HN 0.401 nan 8.370 nan 0.000 0.464 288 D N -0.843 119.455 120.400 -0.171 0.000 2.097 288 D HA -0.200 4.447 4.640 0.012 0.000 0.195 288 D C 1.666 177.848 176.300 -0.198 0.000 0.989 288 D CA 0.858 54.801 54.000 -0.094 0.000 0.827 288 D CB -0.639 40.199 40.800 0.062 0.000 0.966 288 D HN 0.368 nan 8.370 nan 0.000 0.456 289 Y N 1.307 121.356 120.300 -0.419 0.000 2.128 289 Y HA -0.205 4.353 4.550 0.012 0.000 0.284 289 Y C 2.113 177.772 175.900 -0.401 0.000 1.154 289 Y CA 1.462 59.291 58.100 -0.450 0.000 1.149 289 Y CB -0.440 37.427 38.460 -0.989 0.000 0.976 289 Y HN -0.057 nan 8.280 nan 0.000 0.505 290 L N 0.125 121.041 121.223 -0.513 0.000 2.046 290 L HA -0.245 4.102 4.340 0.012 0.000 0.208 290 L C 2.490 179.143 176.870 -0.361 0.000 1.077 290 L CA 1.730 56.294 54.840 -0.460 0.000 0.747 290 L CB -0.746 41.066 42.059 -0.411 0.000 0.896 290 L HN 0.375 nan 8.230 nan 0.000 0.432 291 D N -0.086 120.129 120.400 -0.309 0.000 2.133 291 D HA -0.236 4.412 4.640 0.012 0.000 0.195 291 D C 2.148 178.281 176.300 -0.280 0.000 0.997 291 D CA 1.847 55.709 54.000 -0.230 0.000 0.840 291 D CB 0.311 41.013 40.800 -0.163 0.000 0.947 291 D HN 0.212 nan 8.370 nan 0.000 0.452 292 I N -0.742 119.547 120.570 -0.469 0.000 2.810 292 I HA 0.004 4.182 4.170 0.012 0.000 0.262 292 I C 0.618 176.361 176.117 -0.624 0.000 1.131 292 I CA 0.292 61.233 61.300 -0.598 0.000 1.453 292 I CB -0.533 37.004 38.000 -0.773 0.000 1.161 292 I HN -0.005 nan 8.210 nan 0.000 0.444 293 F N 1.896 121.612 119.950 -0.390 0.000 2.916 293 F HA 0.721 5.256 4.527 0.012 0.000 0.294 293 F C 0.795 176.337 175.800 -0.430 0.000 1.189 293 F CA -0.496 57.227 58.000 -0.461 0.000 1.369 293 F CB -0.296 38.248 39.000 -0.759 0.000 0.961 293 F HN 0.179 nan 8.300 nan 0.000 0.508 294 G N -0.555 108.129 108.800 -0.193 0.000 2.612 294 G HA2 0.396 4.363 3.960 0.012 0.000 0.298 294 G HA3 0.396 4.363 3.960 0.012 0.000 0.298 294 G C -1.918 172.939 174.900 -0.073 0.000 1.336 294 G CA -0.709 44.314 45.100 -0.129 0.000 0.953 294 G HN 0.028 nan 8.290 nan 0.000 0.482 295 D N -0.101 120.278 120.400 -0.035 0.000 2.312 295 D HA 0.310 4.958 4.640 0.012 0.000 0.252 295 D C 1.677 177.964 176.300 -0.022 0.000 1.150 295 D CA 0.100 54.088 54.000 -0.019 0.000 0.870 295 D CB 1.276 42.076 40.800 -0.000 0.000 1.153 295 D HN 0.185 nan 8.370 nan 0.000 0.457 296 S N 1.934 117.621 115.700 -0.023 0.000 2.419 296 S HA -0.169 4.309 4.470 0.012 0.000 0.233 296 S C 2.117 176.710 174.600 -0.012 0.000 1.016 296 S CA 1.419 59.608 58.200 -0.019 0.000 0.974 296 S CB -0.995 62.194 63.200 -0.018 0.000 0.786 296 S HN 0.751 nan 8.310 nan 0.000 0.492 297 T N 0.819 115.367 114.554 -0.009 0.000 3.055 297 T HA 0.082 4.439 4.350 0.012 0.000 0.265 297 T C 1.924 176.625 174.700 0.001 0.000 1.111 297 T CA 1.087 63.183 62.100 -0.008 0.000 1.118 297 T CB -0.290 68.575 68.868 -0.006 0.000 0.909 297 T HN 0.390 nan 8.240 nan 0.000 0.501 298 K N 0.639 121.043 120.400 0.007 0.000 2.168 298 K HA 0.062 4.390 4.320 0.012 0.000 0.201 298 K C 3.016 179.631 176.600 0.024 0.000 1.049 298 K CA 1.338 57.636 56.287 0.020 0.000 0.974 298 K CB -0.197 32.319 32.500 0.026 0.000 0.792 298 K HN 0.826 nan 8.250 nan 0.000 0.463 299 T N -3.088 111.473 114.554 0.012 0.000 3.014 299 T HA 0.194 4.552 4.350 0.012 0.000 0.263 299 T C 1.705 176.416 174.700 0.019 0.000 1.078 299 T CA 1.288 63.397 62.100 0.015 0.000 1.135 299 T CB 0.224 69.083 68.868 -0.015 0.000 0.895 299 T HN 0.577 nan 8.240 nan 0.000 0.480 300 G N 1.830 110.635 108.800 0.008 0.000 2.175 300 G HA2 -0.215 3.753 3.960 0.012 0.000 0.244 300 G HA3 -0.215 3.753 3.960 0.012 0.000 0.244 300 G C -0.073 174.834 174.900 0.010 0.000 0.982 300 G CA 0.277 45.380 45.100 0.005 0.000 0.641 300 G HN 0.975 nan 8.290 nan 0.000 0.527 301 K N -1.097 119.310 120.400 0.011 0.000 2.464 301 K HA 0.885 5.213 4.320 0.012 0.000 0.253 301 K C 0.266 176.866 176.600 0.001 0.000 0.933 301 K CA -0.654 55.645 56.287 0.020 0.000 0.801 301 K CB 2.387 34.908 32.500 0.035 0.000 1.271 301 K HN 0.942 nan 8.250 nan 0.000 0.430 305 D N 2.070 122.442 120.400 -0.047 0.000 2.123 305 D HA -0.051 4.596 4.640 0.012 0.000 0.196 305 D C 1.751 178.004 176.300 -0.078 0.000 0.992 305 D CA 1.262 55.255 54.000 -0.011 0.000 0.833 305 D CB -0.181 40.646 40.800 0.045 0.000 0.954 305 D HN 0.698 nan 8.370 nan 0.000 0.455 306 I N 1.447 121.902 120.570 -0.191 0.000 2.142 306 I HA -0.282 3.895 4.170 0.012 0.000 0.240 306 I C 2.537 178.309 176.117 -0.574 0.000 1.078 306 I CA 0.970 61.915 61.300 -0.592 0.000 1.343 306 I CB -0.365 37.398 38.000 -0.394 0.000 1.046 306 I HN 0.001 nan 8.210 nan 0.000 0.405 307 Q N 0.445 120.074 119.800 -0.285 0.000 2.170 307 Q HA -0.157 4.190 4.340 0.012 0.000 0.203 307 Q C 1.093 177.007 176.000 -0.143 0.000 0.976 307 Q CA 1.347 57.033 55.803 -0.194 0.000 0.858 307 Q CB -0.927 27.742 28.738 -0.115 0.000 0.907 307 Q HN 0.514 nan 8.270 nan 0.000 0.433 308 N N 1.403 120.037 118.700 -0.110 0.000 2.370 308 N HA -0.025 4.722 4.740 0.012 0.000 0.198 308 N C -0.318 175.192 175.510 -0.001 0.000 1.156 308 N CA 0.218 53.240 53.050 -0.047 0.000 0.839 308 N CB -0.240 38.230 38.487 -0.028 0.000 0.989 308 N HN 0.255 nan 8.380 nan 0.000 0.468 309 N N 0.782 119.473 118.700 -0.015 0.000 2.740 309 N HA -0.178 4.569 4.740 0.012 0.000 0.248 309 N C -1.113 174.645 175.510 0.412 0.000 1.062 309 N CA 0.617 53.804 53.050 0.229 0.000 0.704 309 N CB -0.606 38.012 38.487 0.217 0.000 0.968 309 N HN 0.093 nan 8.380 nan 0.000 0.547 310 K N 0.420 121.023 120.400 0.338 0.000 2.174 310 K HA 0.259 4.587 4.320 0.012 0.000 0.275 310 K C 0.148 176.906 176.600 0.264 0.000 1.015 310 K CA -0.826 55.581 56.287 0.200 0.000 0.933 310 K CB 0.990 33.557 32.500 0.111 0.000 1.025 310 K HN 0.238 nan 8.250 nan 0.000 0.463 311 L N 3.292 124.484 121.223 -0.051 0.000 2.433 311 L HA 0.076 4.423 4.340 0.012 0.000 0.284 311 L C 0.109 177.081 176.870 0.169 0.000 1.120 311 L CA 0.470 55.282 54.840 -0.045 0.000 0.879 311 L CB -0.286 41.581 42.059 -0.319 0.000 1.232 311 L HN 0.716 nan 8.230 nan 0.000 0.454 312 T N 0.153 114.813 114.554 0.176 0.000 2.950 312 T HA 0.206 4.563 4.350 0.012 0.000 0.288 312 T C 0.543 175.222 174.700 -0.036 0.000 1.035 312 T CA -0.562 61.661 62.100 0.206 0.000 1.028 312 T CB 0.746 69.721 68.868 0.179 0.000 1.109 312 T HN 0.676 nan 8.240 nan 0.000 0.514 313 W N 1.581 122.689 121.300 -0.320 0.000 2.355 313 W HA 0.119 4.786 4.660 0.012 0.000 0.309 313 W C -1.460 174.894 176.519 -0.274 0.000 1.206 313 W CA 1.255 58.308 57.345 -0.486 0.000 1.284 313 W CB -1.262 27.939 29.460 -0.432 0.000 1.145 313 W HN 0.628 nan 8.180 nan 0.000 0.502 314 P HA -0.220 nan 4.420 nan 0.000 0.216 314 P C 1.780 178.797 177.300 -0.472 0.000 1.150 314 P CA 1.685 64.506 63.100 -0.465 0.000 0.837 314 P CB -0.361 30.915 31.700 -0.708 0.000 0.786 315 L N -0.854 120.248 121.223 -0.201 0.000 2.027 315 L HA -0.117 4.231 4.340 0.012 0.000 0.206 315 L C 2.185 178.953 176.870 -0.169 0.000 1.074 315 L CA 1.782 56.583 54.840 -0.066 0.000 0.745 315 L CB -1.064 40.907 42.059 -0.147 0.000 0.898 315 L HN -0.155 nan 8.230 nan 0.000 0.433 316 I N -0.048 120.353 120.570 -0.282 0.000 2.252 316 I HA -0.275 3.902 4.170 0.012 0.000 0.245 316 I C 2.907 178.814 176.117 -0.351 0.000 1.102 316 I CA 1.645 62.780 61.300 -0.275 0.000 1.385 316 I CB -0.847 36.986 38.000 -0.277 0.000 1.064 316 I HN 0.310 nan 8.210 nan 0.000 0.414 317 K N 0.573 120.582 120.400 -0.651 0.000 2.002 317 K HA -0.181 4.146 4.320 0.012 0.000 0.209 317 K C 2.091 178.429 176.600 -0.436 0.000 1.048 317 K CA 2.336 58.207 56.287 -0.693 0.000 0.930 317 K CB -1.836 29.980 32.500 -1.139 0.000 0.714 317 K HN 0.344 nan 8.250 nan 0.000 0.438 318 T N 0.009 114.363 114.554 -0.334 0.000 2.720 318 T HA -0.083 4.274 4.350 0.012 0.000 0.268 318 T C 1.728 176.246 174.700 -0.305 0.000 1.037 318 T CA 1.403 63.338 62.100 -0.274 0.000 1.144 318 T CB -0.400 68.476 68.868 0.013 0.000 0.864 318 T HN 0.420 nan 8.240 nan 0.000 0.444 319 F N 2.084 121.854 119.950 -0.301 0.000 2.234 319 F HA -0.066 4.468 4.527 0.013 0.000 0.299 319 F C 2.429 178.092 175.800 -0.228 0.000 1.087 319 F CA 1.297 59.148 58.000 -0.248 0.000 1.340 319 F CB -0.124 38.759 39.000 -0.194 0.000 1.031 319 F HN 0.363 nan 8.300 nan 0.000 0.500 320 E N -1.044 119.095 120.200 -0.103 0.000 2.230 320 E HA -0.131 4.226 4.350 0.012 0.000 0.192 320 E C 1.690 178.187 176.600 -0.172 0.000 0.987 320 E CA 0.919 57.250 56.400 -0.116 0.000 0.841 320 E CB -0.436 29.207 29.700 -0.095 0.000 0.783 320 E HN 0.348 nan 8.360 nan 0.000 0.481 321 L N 1.333 122.408 121.223 -0.246 0.000 2.554 321 L HA 0.173 4.520 4.340 0.012 0.000 0.225 321 L C 0.839 177.529 176.870 -0.299 0.000 1.104 321 L CA 0.144 54.855 54.840 -0.216 0.000 0.866 321 L CB 0.511 42.429 42.059 -0.235 0.000 1.047 321 L HN 0.434 nan 8.230 nan 0.000 0.468 322 C N -1.537 117.446 119.300 -0.530 0.000 2.351 322 C HA 0.760 5.228 4.460 0.012 0.000 0.359 322 C C 1.210 176.045 174.990 -0.259 0.000 1.193 322 C CA -1.091 57.577 59.018 -0.584 0.000 2.270 322 C CB 0.797 27.979 27.740 -0.931 0.000 2.369 322 C HN 0.473 nan 8.230 nan 0.000 0.553 323 S N 1.387 117.041 115.700 -0.076 0.000 2.589 323 S HA 0.158 4.635 4.470 0.012 0.000 0.265 323 S C 0.911 175.431 174.600 -0.133 0.000 1.342 323 S CA 0.123 58.287 58.200 -0.060 0.000 1.005 323 S CB 0.535 63.747 63.200 0.020 0.000 0.909 323 S HN 0.861 nan 8.310 nan 0.000 0.555 324 E N 1.428 121.561 120.200 -0.112 0.000 2.085 324 E HA -0.062 4.295 4.350 0.012 0.000 0.194 324 E C -0.524 176.021 176.600 -0.091 0.000 0.994 324 E CA 1.443 57.772 56.400 -0.119 0.000 0.801 324 E CB -2.019 27.634 29.700 -0.078 0.000 0.743 324 E HN 0.614 nan 8.360 nan 0.000 0.453 325 P HA -0.081 nan 4.420 nan 0.000 0.218 325 P C 0.849 178.129 177.300 -0.033 0.000 1.149 325 P CA 1.147 64.228 63.100 -0.032 0.000 0.817 325 P CB 0.060 31.752 31.700 -0.013 0.000 0.785 326 D N -0.697 119.680 120.400 -0.038 0.000 2.224 326 D HA -0.076 4.571 4.640 0.012 0.000 0.205 326 D C 1.772 178.015 176.300 -0.095 0.000 0.965 326 D CA 0.875 54.858 54.000 -0.029 0.000 0.852 326 D CB -0.151 40.669 40.800 0.034 0.000 0.947 326 D HN 0.219 nan 8.370 nan 0.000 0.494 327 K N 0.353 120.636 120.400 -0.196 0.000 2.026 327 K HA -0.041 4.287 4.320 0.012 0.000 0.208 327 K C 2.271 178.855 176.600 -0.026 0.000 1.048 327 K CA 0.660 56.786 56.287 -0.268 0.000 0.929 327 K CB 0.005 32.215 32.500 -0.484 0.000 0.713 327 K HN 0.167 nan 8.250 nan 0.000 0.439 328 I N 1.192 121.743 120.570 -0.031 0.000 2.315 328 I HA -0.268 3.909 4.170 0.012 0.000 0.248 328 I C 2.526 178.650 176.117 0.012 0.000 1.117 328 I CA 1.124 62.425 61.300 0.003 0.000 1.404 328 I CB -0.169 37.825 38.000 -0.010 0.000 1.071 328 I HN 0.153 nan 8.210 nan 0.000 0.419 329 K N 0.898 121.301 120.400 0.005 0.000 2.097 329 K HA -0.158 4.169 4.320 0.012 0.000 0.206 329 K C 2.192 178.809 176.600 0.028 0.000 1.049 329 K CA 1.255 57.550 56.287 0.012 0.000 0.933 329 K CB 0.081 32.587 32.500 0.011 0.000 0.717 329 K HN 0.092 nan 8.250 nan 0.000 0.442 330 I N 0.055 120.653 120.570 0.046 0.000 2.133 330 I HA -0.193 3.984 4.170 0.012 0.000 0.238 330 I C 2.321 178.485 176.117 0.078 0.000 1.074 330 I CA 1.017 62.364 61.300 0.079 0.000 1.342 330 I CB -0.683 37.392 38.000 0.125 0.000 1.053 330 I HN 0.127 nan 8.210 nan 0.000 0.404 331 V N 0.531 120.482 119.914 0.061 0.000 2.380 331 V HA -0.334 3.793 4.120 0.012 0.000 0.251 331 V C 2.447 178.549 176.094 0.013 0.000 1.063 331 V CA 2.463 64.770 62.300 0.012 0.000 1.055 331 V CB -0.927 30.905 31.823 0.014 0.000 0.657 331 V HN 0.579 nan 8.190 nan 0.000 0.455 332 K N -0.412 120.000 120.400 0.021 0.000 2.228 332 K HA -0.045 4.283 4.320 0.012 0.000 0.202 332 K C 1.699 178.308 176.600 0.014 0.000 1.051 332 K CA 1.191 57.485 56.287 0.012 0.000 0.960 332 K CB 0.024 32.528 32.500 0.007 0.000 0.743 332 K HN 0.532 nan 8.250 nan 0.000 0.458 333 N N -0.966 117.752 118.700 0.030 0.000 2.332 333 N HA -0.042 4.706 4.740 0.012 0.000 0.190 333 N C -0.494 175.028 175.510 0.021 0.000 1.117 333 N CA -0.105 52.953 53.050 0.014 0.000 0.883 333 N CB 0.450 38.938 38.487 0.001 0.000 1.089 333 N HN 0.034 nan 8.380 nan 0.000 0.480 334 Y N 1.585 121.850 120.300 -0.057 0.000 2.425 334 Y HA 0.251 4.808 4.550 0.012 0.000 0.331 334 Y C 1.365 177.239 175.900 -0.043 0.000 1.157 334 Y CA 1.119 59.187 58.100 -0.054 0.000 1.372 334 Y CB 0.617 39.043 38.460 -0.058 0.000 1.253 334 Y HN 0.331 nan 8.280 nan 0.000 0.536 335 G N 3.584 112.197 108.800 -0.313 0.000 2.149 335 G HA2 -0.253 3.714 3.960 0.012 0.000 0.235 335 G HA3 -0.253 3.714 3.960 0.012 0.000 0.235 335 G C -0.351 174.489 174.900 -0.100 0.000 1.018 335 G CA -0.107 44.905 45.100 -0.146 0.000 0.728 335 G HN 0.533 nan 8.290 nan 0.000 0.508 336 K N -0.238 120.086 120.400 -0.128 0.000 2.345 336 K HA 0.370 4.697 4.320 0.012 0.000 0.255 336 K C 0.596 177.143 176.600 -0.088 0.000 0.934 336 K CA -1.041 55.198 56.287 -0.081 0.000 0.801 336 K CB 0.957 33.422 32.500 -0.058 0.000 1.137 336 K HN -0.007 nan 8.250 nan 0.000 0.424 337 N N 1.241 119.904 118.700 -0.061 0.000 2.443 337 N HA -0.146 4.602 4.740 0.012 0.000 0.184 337 N C 0.165 175.647 175.510 -0.047 0.000 1.037 337 N CA 0.634 53.653 53.050 -0.052 0.000 0.896 337 N CB -0.097 38.370 38.487 -0.033 0.000 0.959 337 N HN 0.568 nan 8.380 nan 0.000 0.442 338 N N 1.133 119.806 118.700 -0.046 0.000 2.468 338 N HA -0.046 4.702 4.740 0.012 0.000 0.265 338 N C 0.815 176.298 175.510 -0.045 0.000 1.199 338 N CA -0.212 52.815 53.050 -0.038 0.000 0.928 338 N CB 0.768 39.235 38.487 -0.033 0.000 1.059 338 N HN -0.084 nan 8.380 nan 0.000 0.467 339 L N 4.575 125.775 121.223 -0.038 0.000 2.187 339 L HA -0.153 4.194 4.340 0.012 0.000 0.213 339 L C 2.403 179.250 176.870 -0.039 0.000 1.100 339 L CA 1.542 56.359 54.840 -0.039 0.000 0.765 339 L CB -0.404 41.638 42.059 -0.028 0.000 0.904 339 L HN 0.749 nan 8.230 nan 0.000 0.437 340 A N -1.923 120.877 122.820 -0.033 0.000 2.014 340 A HA -0.152 4.175 4.320 0.012 0.000 0.218 340 A C 2.326 179.888 177.584 -0.037 0.000 1.163 340 A CA 1.454 53.473 52.037 -0.030 0.000 0.652 340 A CB -0.958 18.029 19.000 -0.022 0.000 0.808 340 A HN 0.528 nan 8.150 nan 0.000 0.449 341 C N -1.005 118.268 119.300 -0.046 0.000 2.486 341 C HA 0.010 4.477 4.460 0.012 0.000 0.279 341 C C 2.813 177.756 174.990 -0.079 0.000 1.302 341 C CA 0.744 59.730 59.018 -0.054 0.000 1.720 341 C CB -1.081 26.626 27.740 -0.055 0.000 2.030 341 C HN 0.639 nan 8.230 nan 0.000 0.490 342 V N 0.608 120.466 119.914 -0.093 0.000 2.358 342 V HA -0.157 3.970 4.120 0.012 0.000 0.246 342 V C 2.360 178.392 176.094 -0.104 0.000 1.047 342 V CA 2.477 64.704 62.300 -0.121 0.000 1.035 342 V CB -1.153 30.598 31.823 -0.120 0.000 0.658 342 V HN 0.421 nan 8.190 nan 0.000 0.452 343 K N -0.126 120.232 120.400 -0.069 0.000 2.113 343 K HA -0.089 4.238 4.320 0.012 0.000 0.208 343 K C 2.270 178.838 176.600 -0.053 0.000 1.047 343 K CA 1.675 57.932 56.287 -0.049 0.000 0.928 343 K CB -1.011 31.471 32.500 -0.031 0.000 0.716 343 K HN 0.661 nan 8.250 nan 0.000 0.446 344 V N 1.121 121.002 119.914 -0.055 0.000 2.295 344 V HA -0.233 3.894 4.120 0.012 0.000 0.246 344 V C 2.265 178.310 176.094 -0.081 0.000 1.049 344 V CA 1.766 64.038 62.300 -0.047 0.000 1.024 344 V CB -0.488 31.315 31.823 -0.032 0.000 0.648 344 V HN 0.349 nan 8.190 nan 0.000 0.447 345 I N 0.576 121.061 120.570 -0.142 0.000 2.179 345 I HA -0.218 3.959 4.170 0.012 0.000 0.242 345 I C 2.393 178.228 176.117 -0.471 0.000 1.088 345 I CA 2.167 63.283 61.300 -0.306 0.000 1.357 345 I CB -1.373 36.463 38.000 -0.273 0.000 1.051 345 I HN 0.444 nan 8.210 nan 0.000 0.409 346 D N 0.754 120.994 120.400 -0.267 0.000 2.116 346 D HA -0.180 4.468 4.640 0.012 0.000 0.193 346 D C 2.254 178.573 176.300 0.031 0.000 0.998 346 D CA 1.854 55.796 54.000 -0.096 0.000 0.836 346 D CB 0.204 40.984 40.800 -0.033 0.000 0.951 346 D HN 0.113 nan 8.370 nan 0.000 0.449 347 S N -0.764 114.939 115.700 0.006 0.000 2.382 347 S HA -0.084 4.393 4.470 0.012 0.000 0.228 347 S C 1.982 176.632 174.600 0.082 0.000 1.027 347 S CA 0.569 58.797 58.200 0.046 0.000 0.991 347 S CB -0.282 62.928 63.200 0.018 0.000 0.823 347 S HN 0.292 nan 8.310 nan 0.000 0.469 348 L N -0.029 121.229 121.223 0.059 0.000 2.141 348 L HA -0.098 4.249 4.340 0.012 0.000 0.209 348 L C 2.131 179.215 176.870 0.356 0.000 1.094 348 L CA 0.988 55.932 54.840 0.174 0.000 0.763 348 L CB -0.397 41.728 42.059 0.111 0.000 0.908 348 L HN 0.306 nan 8.230 nan 0.000 0.437 349 Y N -0.320 120.113 120.300 0.222 0.000 2.242 349 Y HA -0.205 4.352 4.550 0.013 0.000 0.291 349 Y C 2.868 178.932 175.900 0.272 0.000 1.137 349 Y CA 0.825 59.099 58.100 0.289 0.000 1.181 349 Y CB -0.929 37.742 38.460 0.353 0.000 0.989 349 Y HN 0.083 nan 8.280 nan 0.000 0.527 350 E N -0.242 120.170 120.200 0.354 0.000 2.047 350 E HA -0.218 4.139 4.350 0.012 0.000 0.191 350 E C 2.223 178.892 176.600 0.116 0.000 0.987 350 E CA 1.128 57.642 56.400 0.190 0.000 0.799 350 E CB -0.374 29.410 29.700 0.140 0.000 0.752 350 E HN 0.603 nan 8.360 nan 0.000 0.449 351 Q N -0.983 118.868 119.800 0.085 0.000 2.045 351 Q HA -0.192 4.155 4.340 0.012 0.000 0.206 351 Q C 1.496 177.398 176.000 -0.163 0.000 0.991 351 Q CA 1.941 57.700 55.803 -0.072 0.000 0.851 351 Q CB -0.246 28.411 28.738 -0.136 0.000 0.911 351 Q HN 0.570 nan 8.270 nan 0.000 0.418 352 Y N 0.381 120.732 120.300 0.086 0.000 2.465 352 Y HA 0.116 4.673 4.550 0.013 0.000 0.311 352 Y C 0.907 176.864 175.900 0.096 0.000 1.204 352 Y CA 0.728 58.861 58.100 0.055 0.000 1.272 352 Y CB -0.350 38.108 38.460 -0.004 0.000 1.083 352 Y HN 0.161 nan 8.280 nan 0.000 0.508 353 K N 0.538 121.056 120.400 0.198 0.000 3.540 353 K HA -0.240 4.087 4.320 0.012 0.000 0.274 353 K C 0.772 177.560 176.600 0.313 0.000 0.890 353 K CA 1.180 57.583 56.287 0.194 0.000 0.701 353 K CB -2.677 29.922 32.500 0.164 0.000 1.523 353 K HN 0.460 nan 8.250 nan 0.000 0.450 354 I N 0.461 121.168 120.570 0.228 0.000 2.335 354 I HA -0.229 3.948 4.170 0.012 0.000 0.251 354 I C 2.618 178.910 176.117 0.292 0.000 1.129 354 I CA 1.642 63.091 61.300 0.248 0.000 1.402 354 I CB -0.647 37.495 38.000 0.236 0.000 1.069 354 I HN 0.667 nan 8.210 nan 0.000 0.424 355 R N 1.004 121.471 120.500 -0.055 0.000 2.091 355 R HA -0.198 4.149 4.340 0.012 0.000 0.238 355 R C 2.477 178.885 176.300 0.180 0.000 1.136 355 R CA 2.145 58.249 56.100 0.007 0.000 0.959 355 R CB -0.521 29.626 30.300 -0.255 0.000 0.856 355 R HN 0.432 nan 8.270 nan 0.000 0.437 356 K N 0.662 121.142 120.400 0.133 0.000 2.097 356 K HA -0.147 4.180 4.320 0.012 0.000 0.205 356 K C 1.721 178.344 176.600 0.038 0.000 1.050 356 K CA 1.787 58.103 56.287 0.048 0.000 0.938 356 K CB -0.933 31.549 32.500 -0.029 0.000 0.718 356 K HN 0.413 nan 8.250 nan 0.000 0.442 357 H N -1.846 117.338 119.070 0.190 0.000 2.457 357 H HA 0.031 4.595 4.556 0.012 0.000 0.294 357 H C 1.955 177.544 175.328 0.435 0.000 1.064 357 H CA 1.703 57.924 56.048 0.288 0.000 1.330 357 H CB -0.176 29.756 29.762 0.284 0.000 1.395 357 H HN 0.634 nan 8.280 nan 0.000 0.541 358 Y N 1.592 122.135 120.300 0.405 0.000 2.184 358 Y HA -0.168 4.390 4.550 0.012 0.000 0.290 358 Y C 2.463 178.334 175.900 -0.048 0.000 1.129 358 Y CA 1.744 59.882 58.100 0.063 0.000 1.144 358 Y CB -0.227 38.204 38.460 -0.048 0.000 0.995 358 Y HN 0.233 nan 8.280 nan 0.000 0.513 359 E N -0.692 119.340 120.200 -0.280 0.000 2.097 359 E HA -0.279 4.078 4.350 0.012 0.000 0.196 359 E C 2.332 178.782 176.600 -0.251 0.000 1.000 359 E CA 1.686 57.901 56.400 -0.309 0.000 0.804 359 E CB -0.395 29.239 29.700 -0.111 0.000 0.740 359 E HN 0.464 nan 8.360 nan 0.000 0.454 360 S N -0.950 114.672 115.700 -0.130 0.000 2.406 360 S HA -0.168 4.310 4.470 0.012 0.000 0.228 360 S C 1.839 176.379 174.600 -0.100 0.000 1.020 360 S CA 0.953 59.099 58.200 -0.090 0.000 0.965 360 S CB -0.443 62.734 63.200 -0.038 0.000 0.798 360 S HN 0.567 nan 8.310 nan 0.000 0.488 361 Y N 1.826 122.009 120.300 -0.196 0.000 2.163 361 Y HA 0.049 4.606 4.550 0.012 0.000 0.288 361 Y C 2.414 178.148 175.900 -0.277 0.000 1.136 361 Y CA 2.061 60.031 58.100 -0.218 0.000 1.147 361 Y CB -0.561 37.682 38.460 -0.362 0.000 0.987 361 Y HN 0.260 nan 8.280 nan 0.000 0.509 362 E N 0.554 120.433 120.200 -0.535 0.000 2.070 362 E HA -0.311 4.046 4.350 0.012 0.000 0.197 362 E C 2.379 178.846 176.600 -0.223 0.000 1.004 362 E CA 2.383 58.516 56.400 -0.445 0.000 0.805 362 E CB -0.106 29.210 29.700 -0.640 0.000 0.744 362 E HN 0.578 nan 8.360 nan 0.000 0.451 363 K N 0.477 120.740 120.400 -0.229 0.000 2.025 363 K HA 0.026 4.354 4.320 0.012 0.000 0.207 363 K C 2.145 178.636 176.600 -0.181 0.000 1.049 363 K CA 1.492 57.684 56.287 -0.158 0.000 0.933 363 K CB -1.019 31.402 32.500 -0.132 0.000 0.714 363 K HN 0.271 nan 8.250 nan 0.000 0.438 364 A N 0.408 123.089 122.820 -0.232 0.000 1.933 364 A HA -0.188 4.139 4.320 0.012 0.000 0.218 364 A C 2.388 179.814 177.584 -0.263 0.000 1.175 364 A CA 2.193 54.099 52.037 -0.220 0.000 0.628 364 A CB -0.352 18.529 19.000 -0.199 0.000 0.814 364 A HN 0.633 nan 8.150 nan 0.000 0.444 365 Q N -0.238 119.319 119.800 -0.406 0.000 2.062 365 Q HA -0.047 4.300 4.340 0.012 0.000 0.196 365 Q C 2.048 177.901 176.000 -0.246 0.000 0.967 365 Q CA 1.927 57.537 55.803 -0.322 0.000 0.832 365 Q CB -0.247 28.243 28.738 -0.412 0.000 0.899 365 Q HN 0.619 nan 8.270 nan 0.000 0.442 366 K N -0.456 119.819 120.400 -0.210 0.000 2.044 366 K HA -0.222 4.105 4.320 0.012 0.000 0.210 366 K C 1.858 178.301 176.600 -0.262 0.000 1.049 366 K CA 1.559 57.650 56.287 -0.327 0.000 0.927 366 K CB -0.367 32.036 32.500 -0.161 0.000 0.713 366 K HN 0.272 nan 8.250 nan 0.000 0.443 367 A N 0.747 123.455 122.820 -0.187 0.000 1.877 367 A HA -0.191 4.137 4.320 0.012 0.000 0.216 367 A C 2.312 179.807 177.584 -0.148 0.000 1.186 367 A CA 2.646 54.593 52.037 -0.150 0.000 0.620 367 A CB -1.058 17.870 19.000 -0.120 0.000 0.822 367 A HN 0.480 nan 8.150 nan 0.000 0.443 368 K N -0.718 119.591 120.400 -0.152 0.000 2.103 368 K HA 0.025 4.353 4.320 0.012 0.000 0.207 368 K C 2.277 178.792 176.600 -0.142 0.000 1.048 368 K CA 2.406 58.618 56.287 -0.125 0.000 0.930 368 K CB -1.977 30.460 32.500 -0.105 0.000 0.716 368 K HN 1.158 nan 8.250 nan 0.000 0.444 369 I N 0.645 121.095 120.570 -0.200 0.000 2.202 369 I HA 0.099 4.276 4.170 0.012 0.000 0.242 369 I C 2.697 178.693 176.117 -0.203 0.000 1.091 369 I CA 1.663 62.825 61.300 -0.231 0.000 1.368 369 I CB -0.970 36.817 38.000 -0.355 0.000 1.058 369 I HN 0.420 nan 8.210 nan 0.000 0.410 370 L N 0.425 121.528 121.223 -0.200 0.000 2.042 370 L HA -0.260 4.088 4.340 0.012 0.000 0.210 370 L C 2.979 179.774 176.870 -0.126 0.000 1.076 370 L CA 2.076 56.819 54.840 -0.161 0.000 0.749 370 L CB -0.554 41.417 42.059 -0.148 0.000 0.893 370 L HN 0.644 nan 8.230 nan 0.000 0.432 371 S N -0.213 115.419 115.700 -0.114 0.000 2.356 371 S HA -0.192 4.285 4.470 0.012 0.000 0.223 371 S C 2.109 176.651 174.600 -0.095 0.000 1.032 371 S CA 1.281 59.427 58.200 -0.090 0.000 1.005 371 S CB -0.097 63.057 63.200 -0.076 0.000 0.867 371 S HN 0.426 nan 8.310 nan 0.000 0.449 372 A N 1.096 123.852 122.820 -0.106 0.000 1.930 372 A HA 0.115 4.442 4.320 0.012 0.000 0.217 372 A C 2.152 179.660 177.584 -0.127 0.000 1.175 372 A CA 1.299 53.272 52.037 -0.106 0.000 0.627 372 A CB -0.713 18.224 19.000 -0.105 0.000 0.815 372 A HN 0.634 nan 8.150 nan 0.000 0.443 373 I N 0.185 120.673 120.570 -0.136 0.000 2.226 373 I HA -0.234 3.943 4.170 0.012 0.000 0.245 373 I C 1.788 177.822 176.117 -0.139 0.000 1.100 373 I CA 1.014 62.233 61.300 -0.135 0.000 1.374 373 I CB -0.343 37.574 38.000 -0.138 0.000 1.057 373 I HN 0.286 nan 8.210 nan 0.000 0.413 374 N N 1.012 119.633 118.700 -0.131 0.000 2.459 374 N HA -0.128 4.619 4.740 0.012 0.000 0.181 374 N C 1.653 177.020 175.510 -0.239 0.000 1.046 374 N CA 1.384 54.356 53.050 -0.130 0.000 0.904 374 N CB -0.126 38.314 38.487 -0.080 0.000 0.964 374 N HN 0.516 nan 8.380 nan 0.000 0.444 375 E N 0.601 120.638 120.200 -0.272 0.000 2.489 375 E HA 0.131 4.489 4.350 0.012 0.000 0.193 375 E C 2.014 178.238 176.600 -0.627 0.000 1.057 375 E CA -0.094 56.057 56.400 -0.416 0.000 0.866 375 E CB -0.507 29.098 29.700 -0.158 0.000 0.916 375 E HN 0.266 nan 8.360 nan 0.000 0.500 376 L N -0.470 120.485 121.223 -0.446 0.000 2.072 376 L HA -0.042 4.305 4.340 0.012 0.000 0.205 376 L C 0.364 177.117 176.870 -0.196 0.000 1.079 376 L CA 0.973 55.663 54.840 -0.250 0.000 0.752 376 L CB -0.291 41.695 42.059 -0.121 0.000 0.906 376 L HN 0.569 nan 8.230 nan 0.000 0.436 377 H N -0.644 118.449 119.070 0.039 0.000 2.889 377 H HA -0.182 4.380 4.556 0.011 0.000 0.324 377 H C -0.392 174.982 175.328 0.077 0.000 1.274 377 H CA 0.668 56.738 56.048 0.037 0.000 1.176 377 H CB -2.539 27.234 29.762 0.018 0.000 1.479 377 H HN 0.457 nan 8.280 nan 0.000 0.438 378 H N 0.012 119.100 119.070 0.030 0.000 3.221 378 H HA 0.129 4.693 4.556 0.012 0.000 0.324 378 H C 0.821 176.161 175.328 0.020 0.000 1.212 378 H CA 0.524 56.584 56.048 0.020 0.000 1.624 378 H CB 0.910 30.669 29.762 -0.006 0.000 1.899 378 H HN 0.292 nan 8.280 nan 0.000 0.538 379 E N 2.500 122.753 120.200 0.089 0.000 2.097 379 E HA -0.132 4.225 4.350 0.012 0.000 0.196 379 E C 1.883 178.611 176.600 0.214 0.000 1.000 379 E CA 1.775 58.239 56.400 0.106 0.000 0.804 379 E CB -0.379 29.337 29.700 0.027 0.000 0.740 379 E HN 0.873 nan 8.360 nan 0.000 0.454 380 G N 0.229 109.228 108.800 0.331 0.000 2.453 380 G HA2 -0.196 3.771 3.960 0.012 0.000 0.215 380 G HA3 -0.196 3.771 3.960 0.012 0.000 0.215 380 G C 1.715 176.812 174.900 0.328 0.000 1.201 380 G CA 1.057 46.408 45.100 0.419 0.000 0.784 380 G HN 0.520 nan 8.290 nan 0.000 0.545 381 I N 0.541 121.249 120.570 0.232 0.000 2.252 381 I HA -0.123 4.055 4.170 0.012 0.000 0.245 381 I C 2.765 178.879 176.117 -0.005 0.000 1.102 381 I CA 1.128 62.407 61.300 -0.036 0.000 1.385 381 I CB -0.278 37.526 38.000 -0.327 0.000 1.064 381 I HN 0.250 nan 8.210 nan 0.000 0.414 382 E N 0.047 120.279 120.200 0.052 0.000 2.085 382 E HA -0.300 4.058 4.350 0.012 0.000 0.194 382 E C 2.069 178.674 176.600 0.007 0.000 0.994 382 E CA 1.725 58.133 56.400 0.012 0.000 0.801 382 E CB -0.278 29.443 29.700 0.035 0.000 0.743 382 E HN 0.523 nan 8.360 nan 0.000 0.453 383 Y N 1.190 121.451 120.300 -0.065 0.000 2.145 383 Y HA -0.240 4.318 4.550 0.012 0.000 0.286 383 Y C 2.119 177.930 175.900 -0.149 0.000 1.145 383 Y CA 1.210 59.236 58.100 -0.124 0.000 1.148 383 Y CB -0.419 37.926 38.460 -0.190 0.000 0.981 383 Y HN -0.193 nan 8.280 nan 0.000 0.507 384 V N 0.837 120.568 119.914 -0.305 0.000 2.295 384 V HA -0.336 3.791 4.120 0.012 0.000 0.246 384 V C 2.549 178.519 176.094 -0.206 0.000 1.049 384 V CA 2.146 64.266 62.300 -0.299 0.000 1.024 384 V CB -0.864 30.886 31.823 -0.122 0.000 0.648 384 V HN 0.473 nan 8.190 nan 0.000 0.447 385 L N -0.615 120.510 121.223 -0.163 0.000 2.083 385 L HA -0.199 4.149 4.340 0.012 0.000 0.209 385 L C 2.576 179.325 176.870 -0.202 0.000 1.083 385 L CA 1.709 56.451 54.840 -0.163 0.000 0.752 385 L CB -0.652 41.319 42.059 -0.146 0.000 0.899 385 L HN 0.313 nan 8.230 nan 0.000 0.433 386 K N -0.851 119.429 120.400 -0.200 0.000 2.057 386 K HA -0.211 4.117 4.320 0.012 0.000 0.206 386 K C 2.130 178.605 176.600 -0.208 0.000 1.050 386 K CA 1.394 57.565 56.287 -0.195 0.000 0.935 386 K CB -0.274 32.140 32.500 -0.143 0.000 0.715 386 K HN 0.142 nan 8.250 nan 0.000 0.439 387 Y N 1.732 121.787 120.300 -0.408 0.000 2.200 387 Y HA -0.194 4.363 4.550 0.012 0.000 0.290 387 Y C 1.978 177.714 175.900 -0.273 0.000 1.137 387 Y CA 1.019 58.880 58.100 -0.397 0.000 1.163 387 Y CB -0.370 37.716 38.460 -0.623 0.000 0.988 387 Y HN -0.026 nan 8.280 nan 0.000 0.518 388 L N 0.005 120.988 121.223 -0.401 0.000 2.012 388 L HA -0.170 4.177 4.340 0.012 0.000 0.210 388 L C 2.223 178.892 176.870 -0.336 0.000 1.073 388 L CA 1.908 56.525 54.840 -0.373 0.000 0.748 388 L CB -1.209 40.741 42.059 -0.182 0.000 0.891 388 L HN 0.358 nan 8.230 nan 0.000 0.431 389 L N -0.348 120.688 121.223 -0.310 0.000 2.127 389 L HA -0.172 4.176 4.340 0.012 0.000 0.211 389 L C 2.425 179.084 176.870 -0.352 0.000 1.089 389 L CA 1.695 56.329 54.840 -0.343 0.000 0.757 389 L CB -0.757 41.081 42.059 -0.368 0.000 0.899 389 L HN 0.365 nan 8.230 nan 0.000 0.434 390 E N -0.985 119.019 120.200 -0.327 0.000 2.076 390 E HA -0.081 4.277 4.350 0.012 0.000 0.190 390 E C 2.223 178.641 176.600 -0.302 0.000 0.979 390 E CA 1.207 57.441 56.400 -0.276 0.000 0.807 390 E CB -0.248 29.335 29.700 -0.195 0.000 0.761 390 E HN 0.396 nan 8.360 nan 0.000 0.454 391 I N 1.192 121.524 120.570 -0.398 0.000 3.793 391 I HA 0.066 4.244 4.170 0.012 0.000 0.315 391 I C 2.067 178.039 176.117 -0.242 0.000 1.275 391 I CA -0.044 61.050 61.300 -0.343 0.000 1.214 391 I CB -0.766 36.884 38.000 -0.583 0.000 1.018 391 I HN 0.170 nan 8.210 nan 0.000 0.439 392 L N -0.301 120.751 121.223 -0.285 0.000 1.978 392 L HA -0.235 4.113 4.340 0.012 0.000 0.218 392 L C 2.315 179.229 176.870 0.073 0.000 1.075 392 L CA 2.311 57.063 54.840 -0.148 0.000 0.767 392 L CB -0.582 41.336 42.059 -0.236 0.000 0.890 392 L HN 0.345 nan 8.230 nan 0.000 0.434 393 F N -1.318 118.635 119.950 0.005 0.000 2.661 393 F HA -0.115 4.419 4.527 0.012 0.000 0.298 393 F C 2.422 178.256 175.800 0.057 0.000 1.137 393 F CA 0.663 58.649 58.000 -0.023 0.000 1.454 393 F CB -0.267 38.590 39.000 -0.239 0.000 1.103 393 F HN 0.293 nan 8.300 nan 0.000 0.577 394 T N -3.018 111.635 114.554 0.165 0.000 3.056 394 T HA 0.558 4.915 4.350 0.012 0.000 0.241 394 T C 1.126 175.874 174.700 0.080 0.000 1.006 394 T CA 0.423 62.593 62.100 0.117 0.000 1.115 394 T CB 0.307 69.221 68.868 0.075 0.000 0.939 394 T HN 0.357 nan 8.240 nan 0.000 0.462 395 G N 0.884 109.703 108.800 0.031 0.000 2.655 395 G HA2 0.274 4.241 3.960 0.012 0.000 0.680 395 G HA3 0.274 4.241 3.960 0.012 0.000 0.680 395 G C -0.397 174.498 174.900 -0.010 0.000 1.302 395 G CA -0.501 44.602 45.100 0.005 0.000 0.872 395 G HN 1.396 nan 8.290 nan 0.000 0.540 396 V N 0.000 119.917 119.914 0.005 0.000 2.409 396 V HA 0.000 4.127 4.120 0.012 0.000 0.244 396 V CA 0.000 62.332 62.300 0.054 0.000 1.235 396 V CB 0.000 31.867 31.823 0.074 0.000 1.184 396 V HN 0.000 nan 8.190 nan 0.000 0.556