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 3cwm_1_A DATA FIRST_RESID 24 DATA SEQUENCE NKITPNLAEF AFSLYRQLAH QSNSTNIFFS PVSIATAFAM LSLGTKADTH DATA SEQUENCE DEILEGLNFN LTEIPEAQIH EGFQELLRTL NQPDSQLQLT TGNGLFLSEG DATA SEQUENCE LKLVDKFLED VKKLYHSEAF TVNFGDTEEA KKQINDYVEK GTQGKIVDLV DATA SEQUENCE KELDRDTVFA LVNYIFFKGK WERPFEVKDT EEEDFHVDQV TTVKVPMMKR DATA SEQUENCE LGMFNIQHXK KLSSWVLLMK YLGNATAIFF LPDEGKLQHL ENELTHDIIT DATA SEQUENCE KFLENEDRRS ASLHLPKLSI TGTYDLKSVL GQLGITKVFS NGADLSGVTE DATA SEQUENCE EAPLKLSKAV HKAVLTIDEK GTEAAGAMFL EAIPMSIPPE VKFNKPFVFL DATA SEQUENCE MIEQNTKSPL FMGKVVNPTQ 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 24 N HA 0.000 nan 4.740 nan 0.000 0.220 24 N C 0.000 175.486 175.510 -0.040 0.000 1.280 24 N CA 0.000 53.032 53.050 -0.030 0.000 0.885 24 N CB 0.000 38.457 38.487 -0.050 0.000 1.341 25 K N 1.287 121.665 120.400 -0.036 0.000 2.442 25 K HA 0.054 4.373 4.320 -0.000 0.000 0.198 25 K C 1.275 177.857 176.600 -0.030 0.000 1.042 25 K CA 1.309 57.581 56.287 -0.025 0.000 0.958 25 K CB -0.352 32.141 32.500 -0.012 0.000 0.766 25 K HN 0.663 nan 8.250 nan 0.000 0.474 26 I N -3.473 117.055 120.570 -0.070 0.000 3.883 26 I HA 0.046 4.216 4.170 -0.000 0.000 0.326 26 I C 1.225 177.241 176.117 -0.168 0.000 1.283 26 I CA 0.058 61.318 61.300 -0.066 0.000 1.161 26 I CB 0.163 38.086 38.000 -0.128 0.000 1.012 26 I HN -0.198 nan 8.210 nan 0.000 0.421 27 T N 2.786 117.240 114.554 -0.166 0.000 2.665 27 T HA -0.059 4.291 4.350 -0.000 0.000 0.268 27 T C -0.373 174.109 174.700 -0.363 0.000 1.035 27 T CA 2.196 64.158 62.100 -0.230 0.000 1.151 27 T CB -1.185 67.595 68.868 -0.145 0.000 0.862 27 T HN 0.362 nan 8.240 nan 0.000 0.438 28 P HA -0.072 nan 4.420 nan 0.000 0.215 28 P C 0.983 178.118 177.300 -0.275 0.000 1.157 28 P CA 1.241 64.179 63.100 -0.269 0.000 0.874 28 P CB -0.208 31.433 31.700 -0.100 0.000 0.790 29 N N -0.701 117.813 118.700 -0.311 0.000 2.084 29 N HA -0.123 4.617 4.740 -0.000 0.000 0.190 29 N C 1.735 177.007 175.510 -0.397 0.000 1.030 29 N CA 0.903 53.667 53.050 -0.476 0.000 0.849 29 N CB -1.022 36.865 38.487 -0.999 0.000 1.012 29 N HN 0.063 nan 8.380 nan 0.000 0.423 30 L N 0.444 121.467 121.223 -0.334 0.000 2.013 30 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 30 L C 2.428 179.183 176.870 -0.192 0.000 1.073 30 L CA 1.309 56.044 54.840 -0.176 0.000 0.753 30 L CB -0.547 41.410 42.059 -0.170 0.000 0.890 30 L HN 0.281 nan 8.230 nan 0.000 0.432 31 A N -0.783 121.825 122.820 -0.353 0.000 1.902 31 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 31 A C 2.162 179.442 177.584 -0.506 0.000 1.181 31 A CA 1.392 53.125 52.037 -0.506 0.000 0.623 31 A CB -0.340 18.338 19.000 -0.536 0.000 0.818 31 A HN 0.327 nan 8.150 nan 0.000 0.443 32 E N -0.927 119.153 120.200 -0.200 0.000 2.110 32 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 32 E C 1.665 178.260 176.600 -0.008 0.000 0.988 32 E CA 0.891 57.281 56.400 -0.017 0.000 0.804 32 E CB -0.461 29.232 29.700 -0.011 0.000 0.745 32 E HN 0.671 nan 8.360 nan 0.000 0.458 33 F N 1.423 121.250 119.950 -0.205 0.000 2.146 33 F HA -0.087 4.440 4.527 -0.000 0.000 0.298 33 F C 2.163 177.897 175.800 -0.111 0.000 1.096 33 F CA 1.249 59.159 58.000 -0.151 0.000 1.275 33 F CB -0.543 38.365 39.000 -0.154 0.000 1.008 33 F HN -0.020 nan 8.300 nan 0.000 0.480 34 A N 0.395 123.048 122.820 -0.279 0.000 1.892 34 A HA -0.213 4.106 4.320 -0.000 0.000 0.218 34 A C 2.106 179.605 177.584 -0.141 0.000 1.188 34 A CA 2.131 53.997 52.037 -0.285 0.000 0.631 34 A CB -1.517 17.219 19.000 -0.439 0.000 0.822 34 A HN 0.401 nan 8.150 nan 0.000 0.447 35 F N 0.300 120.236 119.950 -0.023 0.000 2.113 35 F HA -0.065 4.462 4.527 -0.000 0.000 0.297 35 F C 2.871 178.661 175.800 -0.018 0.000 1.103 35 F CA 1.002 59.003 58.000 0.002 0.000 1.248 35 F CB -1.194 37.788 39.000 -0.030 0.000 0.999 35 F HN 0.120 nan 8.300 nan 0.000 0.475 36 S N 0.422 116.168 115.700 0.077 0.000 2.365 36 S HA -0.183 4.287 4.470 -0.000 0.000 0.225 36 S C 2.066 176.573 174.600 -0.155 0.000 1.039 36 S CA 1.250 59.432 58.200 -0.030 0.000 1.033 36 S CB -0.640 62.541 63.200 -0.033 0.000 0.887 36 S HN 0.196 nan 8.310 nan 0.000 0.447 37 L N 0.441 121.447 121.223 -0.361 0.000 2.056 37 L HA 0.006 4.345 4.340 -0.000 0.000 0.207 37 L C 1.903 178.499 176.870 -0.457 0.000 1.078 37 L CA 1.760 56.252 54.840 -0.580 0.000 0.749 37 L CB -1.351 40.082 42.059 -1.043 0.000 0.901 37 L HN 0.426 nan 8.230 nan 0.000 0.433 38 Y N 0.360 120.518 120.300 -0.236 0.000 2.145 38 Y HA -0.261 4.289 4.550 -0.000 0.000 0.286 38 Y C 2.788 178.670 175.900 -0.030 0.000 1.145 38 Y CA 1.902 59.999 58.100 -0.004 0.000 1.148 38 Y CB -0.103 38.509 38.460 0.253 0.000 0.981 38 Y HN 0.098 nan 8.280 nan 0.000 0.507 39 R N -0.197 120.393 120.500 0.151 0.000 2.105 39 R HA -0.234 4.106 4.340 -0.000 0.000 0.239 39 R C 2.335 178.593 176.300 -0.070 0.000 1.135 39 R CA 1.668 57.798 56.100 0.050 0.000 0.967 39 R CB -0.379 29.959 30.300 0.064 0.000 0.861 39 R HN 0.347 nan 8.270 nan 0.000 0.442 40 Q N 0.955 120.687 119.800 -0.113 0.000 2.030 40 Q HA -0.129 4.210 4.340 -0.000 0.000 0.204 40 Q C 1.889 177.810 176.000 -0.132 0.000 0.986 40 Q CA 1.761 57.498 55.803 -0.110 0.000 0.843 40 Q CB -0.349 28.286 28.738 -0.171 0.000 0.904 40 Q HN 0.353 nan 8.270 nan 0.000 0.420 41 L N -0.253 120.807 121.223 -0.272 0.000 2.046 41 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 41 L C 2.286 179.021 176.870 -0.226 0.000 1.077 41 L CA 1.112 55.789 54.840 -0.272 0.000 0.747 41 L CB -0.705 41.112 42.059 -0.403 0.000 0.896 41 L HN 0.303 nan 8.230 nan 0.000 0.432 42 A N -1.862 120.755 122.820 -0.337 0.000 2.168 42 A HA -0.194 4.126 4.320 -0.000 0.000 0.215 42 A C 2.129 179.692 177.584 -0.034 0.000 1.152 42 A CA 0.962 52.851 52.037 -0.248 0.000 0.716 42 A CB -0.761 18.022 19.000 -0.362 0.000 0.794 42 A HN 0.508 nan 8.150 nan 0.000 0.465 43 H N -1.122 117.873 119.070 -0.125 0.000 2.370 43 H HA 0.021 4.577 4.556 -0.000 0.000 0.304 43 H C 2.123 177.415 175.328 -0.061 0.000 1.055 43 H CA 1.112 57.117 56.048 -0.073 0.000 1.373 43 H CB 0.204 29.925 29.762 -0.068 0.000 1.423 43 H HN 0.582 nan 8.280 nan 0.000 0.533 44 Q N 0.418 120.162 119.800 -0.094 0.000 1.985 44 Q HA -0.095 4.245 4.340 -0.000 0.000 0.207 44 Q C 0.472 176.412 176.000 -0.100 0.000 0.996 44 Q CA 1.515 57.243 55.803 -0.124 0.000 0.851 44 Q CB 0.096 28.793 28.738 -0.068 0.000 0.921 44 Q HN 0.073 nan 8.270 nan 0.000 0.418 45 S N -1.050 114.616 115.700 -0.056 0.000 2.538 45 S HA 0.314 4.784 4.470 -0.000 0.000 0.288 45 S C -0.711 173.879 174.600 -0.016 0.000 1.108 45 S CA -0.861 57.321 58.200 -0.031 0.000 0.971 45 S CB 0.886 64.084 63.200 -0.004 0.000 1.041 45 S HN 0.219 nan 8.310 nan 0.000 0.483 46 N N 1.848 120.548 118.700 -0.000 0.000 2.184 46 N HA 0.225 4.965 4.740 -0.000 0.000 0.206 46 N C 0.318 175.854 175.510 0.043 0.000 1.151 46 N CA -0.050 53.015 53.050 0.024 0.000 0.878 46 N CB 0.814 39.320 38.487 0.032 0.000 1.014 46 N HN 0.348 nan 8.380 nan 0.000 0.512 47 S N -0.625 115.096 115.700 0.035 0.000 2.559 47 S HA 0.103 4.573 4.470 -0.000 0.000 0.226 47 S C 0.490 175.116 174.600 0.044 0.000 1.000 47 S CA -0.308 57.918 58.200 0.043 0.000 0.948 47 S CB 0.510 63.729 63.200 0.032 0.000 0.870 47 S HN 0.424 nan 8.310 nan 0.000 0.497 48 T N 0.717 115.299 114.554 0.047 0.000 2.856 48 T HA 0.483 4.833 4.350 -0.000 0.000 0.283 48 T C -0.484 174.264 174.700 0.080 0.000 1.008 48 T CA -0.976 61.156 62.100 0.054 0.000 0.997 48 T CB 0.867 69.764 68.868 0.049 0.000 0.992 48 T HN -0.138 nan 8.240 nan 0.000 0.454 49 N N 1.617 120.367 118.700 0.083 0.000 2.353 49 N HA 0.173 4.913 4.740 -0.000 0.000 0.248 49 N C -0.506 175.125 175.510 0.202 0.000 1.240 49 N CA 0.198 53.324 53.050 0.126 0.000 0.862 49 N CB 0.067 38.615 38.487 0.101 0.000 1.086 49 N HN 0.628 nan 8.380 nan 0.000 0.453 50 I N 1.939 122.669 120.570 0.267 0.000 2.465 50 I HA 0.415 4.584 4.170 -0.000 0.000 0.291 50 I C -0.893 175.530 176.117 0.509 0.000 1.014 50 I CA -0.736 60.793 61.300 0.382 0.000 1.093 50 I CB 1.250 39.408 38.000 0.263 0.000 1.267 50 I HN 0.285 nan 8.210 nan 0.000 0.431 51 F N 8.866 129.089 119.950 0.455 0.000 2.630 51 F HA 0.607 5.134 4.527 -0.000 0.000 0.325 51 F C -1.635 174.524 175.800 0.598 0.000 1.184 51 F CA -0.886 57.334 58.000 0.366 0.000 1.011 51 F CB 1.313 40.490 39.000 0.294 0.000 1.268 51 F HN 0.320 nan 8.300 nan 0.000 0.480 52 F N 2.120 121.911 119.950 -0.265 0.000 2.686 52 F HA 0.692 5.219 4.527 -0.000 0.000 0.311 52 F C -1.362 174.426 175.800 -0.021 0.000 1.128 52 F CA -1.341 56.671 58.000 0.020 0.000 0.946 52 F CB 1.261 40.269 39.000 0.012 0.000 1.336 52 F HN 0.281 nan 8.300 nan 0.000 0.457 53 S N 2.272 118.196 115.700 0.373 0.000 2.420 53 S HA 0.472 4.942 4.470 -0.000 0.000 0.313 53 S C -1.992 172.676 174.600 0.113 0.000 1.079 53 S CA -1.565 56.709 58.200 0.123 0.000 1.104 53 S CB 0.952 64.283 63.200 0.219 0.000 0.969 53 S HN 0.525 nan 8.310 nan 0.000 0.471 54 P HA -0.093 nan 4.420 nan 0.000 0.215 54 P C 1.548 178.997 177.300 0.249 0.000 1.157 54 P CA 0.667 63.892 63.100 0.208 0.000 0.863 54 P CB 0.076 31.816 31.700 0.067 0.000 0.787 55 V N -0.231 119.732 119.914 0.081 0.000 2.255 55 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 55 V C 2.629 178.814 176.094 0.151 0.000 1.051 55 V CA 2.529 64.894 62.300 0.109 0.000 1.018 55 V CB -1.521 30.288 31.823 -0.023 0.000 0.641 55 V HN 0.214 nan 8.190 nan 0.000 0.445 56 S N -0.688 115.073 115.700 0.102 0.000 2.370 56 S HA -0.151 4.319 4.470 -0.000 0.000 0.226 56 S C 1.826 176.511 174.600 0.143 0.000 1.033 56 S CA 1.851 60.135 58.200 0.140 0.000 1.011 56 S CB -0.338 63.002 63.200 0.233 0.000 0.852 56 S HN 0.509 nan 8.310 nan 0.000 0.457 57 I N 1.095 121.736 120.570 0.118 0.000 2.333 57 I HA -0.033 4.137 4.170 -0.000 0.000 0.246 57 I C 2.695 178.924 176.117 0.187 0.000 1.106 57 I CA 0.947 62.345 61.300 0.165 0.000 1.411 57 I CB -0.468 37.597 38.000 0.109 0.000 1.082 57 I HN 0.316 nan 8.210 nan 0.000 0.420 58 A N 0.445 123.346 122.820 0.136 0.000 1.858 58 A HA -0.211 4.108 4.320 -0.000 0.000 0.216 58 A C 2.395 179.849 177.584 -0.217 0.000 1.190 58 A CA 2.515 54.502 52.037 -0.085 0.000 0.617 58 A CB -1.254 17.787 19.000 0.068 0.000 0.827 58 A HN 0.357 nan 8.150 nan 0.000 0.443 59 T N 0.449 114.939 114.554 -0.107 0.000 2.685 59 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 59 T C 2.139 176.655 174.700 -0.308 0.000 1.034 59 T CA 1.995 63.930 62.100 -0.274 0.000 1.149 59 T CB -0.500 68.436 68.868 0.114 0.000 0.860 59 T HN 0.631 nan 8.240 nan 0.000 0.449 60 A N 0.301 123.051 122.820 -0.116 0.000 1.930 60 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 60 A C 1.919 179.322 177.584 -0.302 0.000 1.175 60 A CA 1.181 53.121 52.037 -0.161 0.000 0.627 60 A CB -0.766 18.235 19.000 0.003 0.000 0.815 60 A HN 0.485 nan 8.150 nan 0.000 0.443 61 F N -0.242 119.556 119.950 -0.253 0.000 2.512 61 F HA 0.163 4.689 4.527 -0.000 0.000 0.296 61 F C 2.608 178.217 175.800 -0.317 0.000 1.110 61 F CA 0.402 58.259 58.000 -0.238 0.000 1.446 61 F CB -0.229 38.666 39.000 -0.174 0.000 1.092 61 F HN 0.250 nan 8.300 nan 0.000 0.554 62 A N 0.197 122.809 122.820 -0.348 0.000 1.877 62 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 62 A C 2.305 179.625 177.584 -0.439 0.000 1.186 62 A CA 1.886 53.651 52.037 -0.453 0.000 0.620 62 A CB -0.759 17.642 19.000 -0.998 0.000 0.822 62 A HN 0.408 nan 8.150 nan 0.000 0.443 63 M N -0.851 118.262 119.600 -0.812 0.000 2.099 63 M HA -0.111 4.369 4.480 -0.000 0.000 0.262 63 M C 2.113 178.182 176.300 -0.384 0.000 1.067 63 M CA 2.154 56.831 55.300 -1.039 0.000 1.124 63 M CB -0.297 31.562 32.600 -1.235 0.000 1.353 63 M HN 0.366 nan 8.290 nan 0.000 0.410 64 L N 1.090 122.140 121.223 -0.288 0.000 2.081 64 L HA -0.193 4.146 4.340 -0.000 0.000 0.212 64 L C 2.592 179.448 176.870 -0.024 0.000 1.080 64 L CA 2.495 57.280 54.840 -0.091 0.000 0.754 64 L CB -0.938 40.908 42.059 -0.355 0.000 0.893 64 L HN 0.618 nan 8.230 nan 0.000 0.433 65 S N -1.154 114.503 115.700 -0.071 0.000 2.442 65 S HA -0.176 4.293 4.470 -0.000 0.000 0.236 65 S C 1.977 176.661 174.600 0.140 0.000 1.007 65 S CA 1.282 59.482 58.200 -0.001 0.000 0.965 65 S CB -0.909 62.235 63.200 -0.092 0.000 0.773 65 S HN 0.574 nan 8.310 nan 0.000 0.504 66 L N 0.742 122.036 121.223 0.118 0.000 2.191 66 L HA 0.066 4.406 4.340 -0.000 0.000 0.212 66 L C 2.507 179.471 176.870 0.157 0.000 1.103 66 L CA 1.047 55.969 54.840 0.137 0.000 0.769 66 L CB -0.723 41.381 42.059 0.075 0.000 0.908 66 L HN 0.571 nan 8.230 nan 0.000 0.438 67 G N -0.815 108.012 108.800 0.045 0.000 3.284 67 G HA2 0.094 4.054 3.960 -0.000 0.000 0.236 67 G HA3 0.094 4.054 3.960 -0.000 0.000 0.236 67 G C 0.517 175.257 174.900 -0.267 0.000 1.158 67 G CA 0.398 45.239 45.100 -0.431 0.000 0.774 67 G HN 0.337 nan 8.290 nan 0.000 0.545 68 T N -2.676 111.834 114.554 -0.073 0.000 2.940 68 T HA 0.791 5.140 4.350 -0.000 0.000 0.288 68 T C -0.733 173.981 174.700 0.024 0.000 1.045 68 T CA -0.795 61.291 62.100 -0.023 0.000 1.018 68 T CB 3.045 71.927 68.868 0.023 0.000 1.151 68 T HN -0.006 nan 8.240 nan 0.000 0.529 69 K N -0.322 120.089 120.400 0.018 0.000 2.509 69 K HA 0.731 5.051 4.320 -0.000 0.000 0.266 69 K C 0.346 176.962 176.600 0.027 0.000 0.987 69 K CA -0.208 56.069 56.287 -0.017 0.000 0.868 69 K CB 1.913 34.380 32.500 -0.056 0.000 1.421 69 K HN 1.119 nan 8.250 nan 0.000 0.444 70 A N 0.867 123.682 122.820 -0.009 0.000 5.391 70 A HA -0.349 3.971 4.320 -0.000 0.000 0.315 70 A C 1.026 178.653 177.584 0.072 0.000 1.874 70 A CA 1.759 53.807 52.037 0.019 0.000 0.714 70 A CB -1.804 17.197 19.000 0.001 0.000 1.335 70 A HN 0.923 nan 8.150 nan 0.000 0.382 71 D N -0.933 119.495 120.400 0.047 0.000 2.104 71 D HA -0.070 4.570 4.640 -0.000 0.000 0.194 71 D C 2.056 178.388 176.300 0.053 0.000 0.994 71 D CA 2.149 56.178 54.000 0.048 0.000 0.830 71 D CB -0.850 39.969 40.800 0.031 0.000 0.959 71 D HN 0.685 nan 8.370 nan 0.000 0.452 72 T N 0.200 114.781 114.554 0.045 0.000 2.635 72 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 72 T C 1.767 176.494 174.700 0.046 0.000 1.040 72 T CA 1.460 63.577 62.100 0.029 0.000 1.156 72 T CB -0.484 68.389 68.868 0.009 0.000 0.863 72 T HN 0.341 nan 8.240 nan 0.000 0.430 73 H N 1.663 120.722 119.070 -0.017 0.000 2.267 73 H HA -0.116 4.440 4.556 -0.000 0.000 0.297 73 H C 1.711 177.041 175.328 0.003 0.000 1.080 73 H CA 2.027 58.070 56.048 -0.009 0.000 1.278 73 H CB -0.333 29.424 29.762 -0.008 0.000 1.365 73 H HN 0.249 nan 8.280 nan 0.000 0.489 74 D N 0.543 121.027 120.400 0.140 0.000 2.178 74 D HA -0.119 4.521 4.640 -0.000 0.000 0.201 74 D C 2.204 178.503 176.300 -0.000 0.000 0.980 74 D CA 0.784 54.831 54.000 0.078 0.000 0.842 74 D CB -0.389 40.488 40.800 0.128 0.000 0.948 74 D HN 0.562 nan 8.370 nan 0.000 0.472 75 E N -0.096 120.109 120.200 0.009 0.000 2.110 75 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 75 E C 2.148 178.742 176.600 -0.010 0.000 0.988 75 E CA 0.527 56.933 56.400 0.010 0.000 0.804 75 E CB -0.001 29.712 29.700 0.022 0.000 0.745 75 E HN 0.286 nan 8.360 nan 0.000 0.458 76 I N 0.668 121.210 120.570 -0.046 0.000 2.202 76 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 76 I C 2.258 178.341 176.117 -0.057 0.000 1.091 76 I CA 0.957 62.229 61.300 -0.047 0.000 1.368 76 I CB -0.178 37.795 38.000 -0.043 0.000 1.058 76 I HN 0.139 nan 8.210 nan 0.000 0.410 77 L N 0.068 121.230 121.223 -0.103 0.000 2.156 77 L HA -0.123 4.216 4.340 -0.000 0.000 0.208 77 L C 2.556 179.517 176.870 0.151 0.000 1.095 77 L CA 1.013 55.850 54.840 -0.006 0.000 0.770 77 L CB -0.658 41.292 42.059 -0.181 0.000 0.914 77 L HN 0.287 nan 8.230 nan 0.000 0.439 78 E N 0.494 120.734 120.200 0.067 0.000 2.106 78 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 78 E C 2.188 178.816 176.600 0.046 0.000 0.984 78 E CA 1.272 57.716 56.400 0.073 0.000 0.806 78 E CB -0.189 29.541 29.700 0.049 0.000 0.750 78 E HN 0.511 nan 8.360 nan 0.000 0.458 79 G N 0.999 109.813 108.800 0.023 0.000 2.509 79 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.218 79 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.218 79 G C 1.403 176.296 174.900 -0.011 0.000 1.124 79 G CA 0.098 45.209 45.100 0.018 0.000 0.776 79 G HN 0.140 nan 8.290 nan 0.000 0.547 80 L N 0.103 121.268 121.223 -0.095 0.000 2.685 80 L HA 0.245 4.584 4.340 -0.000 0.000 0.233 80 L C 0.492 177.186 176.870 -0.293 0.000 1.173 80 L CA -0.248 54.381 54.840 -0.352 0.000 0.961 80 L CB -0.373 41.556 42.059 -0.215 0.000 1.217 80 L HN 0.191 nan 8.230 nan 0.000 0.478 81 N N 0.045 118.671 118.700 -0.122 0.000 2.780 81 N HA -0.177 4.562 4.740 -0.000 0.000 0.248 81 N C -0.749 174.557 175.510 -0.341 0.000 1.102 81 N CA 0.572 53.518 53.050 -0.172 0.000 0.697 81 N CB -1.164 37.238 38.487 -0.141 0.000 1.028 81 N HN 0.172 nan 8.380 nan 0.000 0.554 82 F N 0.882 120.814 119.950 -0.031 0.000 2.436 82 F HA 0.322 4.848 4.527 -0.000 0.000 0.340 82 F C 0.937 176.726 175.800 -0.018 0.000 1.113 82 F CA -0.918 57.063 58.000 -0.031 0.000 1.022 82 F CB 1.064 40.037 39.000 -0.045 0.000 1.128 82 F HN -0.110 nan 8.300 nan 0.000 0.466 83 N N 3.867 122.667 118.700 0.167 0.000 2.437 83 N HA 0.206 4.946 4.740 -0.000 0.000 0.243 83 N C 0.381 175.951 175.510 0.100 0.000 1.041 83 N CA -0.023 53.089 53.050 0.102 0.000 0.940 83 N CB 0.571 39.095 38.487 0.062 0.000 1.133 83 N HN 0.696 nan 8.380 nan 0.000 0.506 84 L N 1.883 123.157 121.223 0.086 0.000 2.622 84 L HA -0.018 4.321 4.340 -0.000 0.000 0.233 84 L C 1.823 178.722 176.870 0.048 0.000 1.156 84 L CA 0.831 55.711 54.840 0.066 0.000 0.866 84 L CB -0.424 41.676 42.059 0.069 0.000 0.980 84 L HN 0.614 nan 8.230 nan 0.000 0.448 85 T N -4.604 109.977 114.554 0.045 0.000 3.086 85 T HA 0.074 4.423 4.350 -0.000 0.000 0.250 85 T C 1.269 175.987 174.700 0.031 0.000 1.074 85 T CA 0.219 62.339 62.100 0.033 0.000 0.988 85 T CB 0.325 69.210 68.868 0.028 0.000 0.988 85 T HN 0.356 nan 8.240 nan 0.000 0.530 86 E N -0.058 120.166 120.200 0.040 0.000 2.354 86 E HA 0.397 4.747 4.350 -0.000 0.000 0.203 86 E C 0.080 176.703 176.600 0.039 0.000 0.841 86 E CA -0.149 56.273 56.400 0.037 0.000 1.046 86 E CB 0.870 30.593 29.700 0.039 0.000 1.040 86 E HN 0.459 nan 8.360 nan 0.000 0.504 87 I N 3.403 124.004 120.570 0.052 0.000 2.362 87 I HA 0.274 4.443 4.170 -0.000 0.000 0.289 87 I C -2.548 173.574 176.117 0.009 0.000 0.994 87 I CA -2.797 58.528 61.300 0.040 0.000 1.158 87 I CB 1.328 39.377 38.000 0.082 0.000 1.315 87 I HN -0.173 nan 8.210 nan 0.000 0.451 88 P HA 0.133 nan 4.420 nan 0.000 0.272 88 P C -0.164 177.112 177.300 -0.040 0.000 1.223 88 P CA -0.030 63.064 63.100 -0.009 0.000 0.784 88 P CB 0.760 32.460 31.700 -0.000 0.000 0.923 89 E N 1.073 121.260 120.200 -0.022 0.000 2.150 89 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 89 E C 2.010 178.601 176.600 -0.014 0.000 0.985 89 E CA 1.267 57.640 56.400 -0.044 0.000 0.814 89 E CB -0.326 29.417 29.700 0.072 0.000 0.752 89 E HN 0.522 nan 8.360 nan 0.000 0.466 90 A N 1.586 124.430 122.820 0.039 0.000 1.883 90 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 90 A C 2.162 179.761 177.584 0.025 0.000 1.186 90 A CA 1.341 53.416 52.037 0.064 0.000 0.624 90 A CB -0.379 18.644 19.000 0.039 0.000 0.822 90 A HN 0.121 nan 8.150 nan 0.000 0.444 91 Q N -0.319 119.469 119.800 -0.020 0.000 2.030 91 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 91 Q C 2.222 178.173 176.000 -0.083 0.000 0.986 91 Q CA 1.691 57.472 55.803 -0.037 0.000 0.843 91 Q CB -0.557 28.162 28.738 -0.032 0.000 0.904 91 Q HN 0.771 nan 8.270 nan 0.000 0.420 92 I N 0.598 121.052 120.570 -0.193 0.000 2.087 92 I HA -0.354 3.816 4.170 -0.000 0.000 0.240 92 I C 2.455 178.488 176.117 -0.141 0.000 1.054 92 I CA 1.600 62.678 61.300 -0.369 0.000 1.311 92 I CB -0.531 37.023 38.000 -0.743 0.000 1.024 92 I HN 0.301 nan 8.210 nan 0.000 0.402 93 H N 0.419 119.531 119.070 0.069 0.000 2.357 93 H HA -0.104 4.451 4.556 -0.000 0.000 0.301 93 H C 2.173 177.546 175.328 0.076 0.000 1.082 93 H CA 1.355 57.500 56.048 0.163 0.000 1.342 93 H CB -0.304 29.528 29.762 0.117 0.000 1.389 93 H HN 0.465 nan 8.280 nan 0.000 0.511 94 E N 0.011 120.282 120.200 0.119 0.000 2.204 94 E HA -0.092 4.258 4.350 -0.000 0.000 0.195 94 E C 2.413 179.016 176.600 0.005 0.000 0.990 94 E CA 0.626 57.048 56.400 0.038 0.000 0.821 94 E CB -0.071 29.639 29.700 0.016 0.000 0.750 94 E HN 0.471 nan 8.360 nan 0.000 0.477 95 G N 0.525 109.310 108.800 -0.026 0.000 2.414 95 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.215 95 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.215 95 G C 1.177 176.001 174.900 -0.128 0.000 1.188 95 G CA 0.433 45.464 45.100 -0.115 0.000 0.783 95 G HN 0.140 nan 8.290 nan 0.000 0.537 96 F N 0.802 120.767 119.950 0.025 0.000 2.134 96 F HA -0.018 4.509 4.527 -0.000 0.000 0.299 96 F C 3.003 178.769 175.800 -0.057 0.000 1.097 96 F CA 1.424 59.450 58.000 0.045 0.000 1.264 96 F CB -0.584 38.529 39.000 0.188 0.000 1.001 96 F HN 0.080 nan 8.300 nan 0.000 0.479 97 Q N 0.435 120.256 119.800 0.035 0.000 1.998 97 Q HA -0.233 4.107 4.340 -0.000 0.000 0.209 97 Q C 2.292 178.278 176.000 -0.023 0.000 1.002 97 Q CA 2.126 57.875 55.803 -0.090 0.000 0.858 97 Q CB -0.452 28.229 28.738 -0.095 0.000 0.932 97 Q HN 0.229 nan 8.270 nan 0.000 0.416 98 E N -0.214 119.978 120.200 -0.012 0.000 2.097 98 E HA -0.213 4.136 4.350 -0.000 0.000 0.196 98 E C 1.964 178.567 176.600 0.004 0.000 1.000 98 E CA 1.090 57.485 56.400 -0.008 0.000 0.804 98 E CB -0.324 29.364 29.700 -0.019 0.000 0.740 98 E HN 0.253 nan 8.360 nan 0.000 0.454 99 L N 0.515 121.743 121.223 0.008 0.000 2.093 99 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 99 L C 2.259 179.163 176.870 0.056 0.000 1.085 99 L CA 1.260 56.112 54.840 0.021 0.000 0.755 99 L CB -0.371 41.695 42.059 0.011 0.000 0.904 99 L HN 0.056 nan 8.230 nan 0.000 0.435 100 L N -0.971 120.305 121.223 0.088 0.000 2.217 100 L HA -0.117 4.223 4.340 -0.000 0.000 0.211 100 L C 2.717 179.654 176.870 0.111 0.000 1.107 100 L CA 0.823 55.737 54.840 0.122 0.000 0.783 100 L CB -0.341 41.804 42.059 0.143 0.000 0.919 100 L HN 0.241 nan 8.230 nan 0.000 0.442 101 R N -0.494 120.053 120.500 0.078 0.000 2.066 101 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 101 R C 2.173 178.489 176.300 0.026 0.000 1.131 101 R CA 1.966 58.100 56.100 0.056 0.000 0.955 101 R CB -0.689 29.632 30.300 0.035 0.000 0.851 101 R HN 0.431 nan 8.270 nan 0.000 0.432 102 T N -0.372 114.195 114.554 0.022 0.000 3.055 102 T HA 0.081 4.431 4.350 -0.000 0.000 0.265 102 T C 1.892 176.599 174.700 0.011 0.000 1.111 102 T CA 0.532 62.640 62.100 0.013 0.000 1.118 102 T CB 0.004 68.877 68.868 0.010 0.000 0.909 102 T HN 0.093 nan 8.240 nan 0.000 0.501 103 L N 0.509 121.741 121.223 0.015 0.000 2.168 103 L HA 0.203 4.542 4.340 -0.000 0.000 0.203 103 L C 1.239 178.113 176.870 0.007 0.000 1.078 103 L CA 0.586 55.432 54.840 0.010 0.000 0.780 103 L CB -0.245 41.823 42.059 0.016 0.000 0.939 103 L HN 0.163 nan 8.230 nan 0.000 0.451 104 N N 1.144 119.837 118.700 -0.012 0.000 2.758 104 N HA 0.111 4.851 4.740 -0.000 0.000 0.293 104 N C -0.361 175.114 175.510 -0.058 0.000 1.273 104 N CA 0.107 53.122 53.050 -0.057 0.000 1.022 104 N CB 0.349 38.736 38.487 -0.167 0.000 1.334 104 N HN 0.367 nan 8.380 nan 0.000 0.519 105 Q N 0.255 120.043 119.800 -0.019 0.000 2.327 105 Q HA 0.154 4.493 4.340 -0.000 0.000 0.254 105 Q C -1.185 174.813 176.000 -0.004 0.000 0.952 105 Q CA -1.472 54.325 55.803 -0.010 0.000 0.884 105 Q CB 1.057 29.798 28.738 0.006 0.000 1.224 105 Q HN 0.135 nan 8.270 nan 0.000 0.422 106 P HA -0.135 nan 4.420 nan 0.000 0.215 106 P C -0.529 176.780 177.300 0.016 0.000 1.157 106 P CA 1.251 64.353 63.100 0.004 0.000 0.863 106 P CB 0.271 31.972 31.700 0.003 0.000 0.787 107 D N -1.011 119.400 120.400 0.018 0.000 2.881 107 D HA 0.108 4.748 4.640 -0.000 0.000 0.240 107 D C -0.207 176.112 176.300 0.031 0.000 1.249 107 D CA 0.184 54.199 54.000 0.024 0.000 0.839 107 D CB -0.554 40.259 40.800 0.022 0.000 1.042 107 D HN -0.063 nan 8.370 nan 0.000 0.475 108 S N 0.393 116.114 115.700 0.035 0.000 2.410 108 S HA 0.071 4.541 4.470 -0.000 0.000 0.304 108 S C 1.128 175.762 174.600 0.057 0.000 1.095 108 S CA -0.569 57.657 58.200 0.045 0.000 1.089 108 S CB 0.779 64.005 63.200 0.042 0.000 0.968 108 S HN 0.179 nan 8.310 nan 0.000 0.480 109 Q N 2.646 122.483 119.800 0.062 0.000 2.500 109 Q HA -0.004 4.336 4.340 -0.000 0.000 0.213 109 Q C -0.060 175.990 176.000 0.084 0.000 0.974 109 Q CA 0.371 56.215 55.803 0.069 0.000 0.918 109 Q CB -0.050 28.731 28.738 0.072 0.000 0.980 109 Q HN 0.552 nan 8.270 nan 0.000 0.505 110 L N 1.407 122.690 121.223 0.099 0.000 2.433 110 L HA -0.001 4.339 4.340 -0.000 0.000 0.275 110 L C 0.216 177.187 176.870 0.168 0.000 1.128 110 L CA 0.608 55.534 54.840 0.144 0.000 0.875 110 L CB 0.855 42.982 42.059 0.114 0.000 1.171 110 L HN -0.041 nan 8.230 nan 0.000 0.463 111 Q N 3.817 123.731 119.800 0.189 0.000 3.159 111 Q HA 0.250 4.589 4.340 -0.000 0.000 0.280 111 Q C -1.247 174.938 176.000 0.310 0.000 1.403 111 Q CA 0.195 56.085 55.803 0.144 0.000 0.957 111 Q CB -0.219 28.475 28.738 -0.074 0.000 1.729 111 Q HN 0.517 nan 8.270 nan 0.000 0.551 112 L N 1.682 123.077 121.223 0.286 0.000 2.316 112 L HA 0.444 4.784 4.340 -0.000 0.000 0.280 112 L C -0.849 176.185 176.870 0.273 0.000 1.006 112 L CA 0.019 55.048 54.840 0.315 0.000 0.836 112 L CB 1.942 44.124 42.059 0.204 0.000 1.221 112 L HN 0.164 nan 8.230 nan 0.000 0.418 113 T N 2.061 116.829 114.554 0.356 0.000 3.042 113 T HA 0.326 4.675 4.350 -0.000 0.000 0.356 113 T C -0.017 174.895 174.700 0.353 0.000 1.233 113 T CA -0.299 62.003 62.100 0.337 0.000 1.038 113 T CB 0.543 69.638 68.868 0.379 0.000 1.089 113 T HN 0.550 nan 8.240 nan 0.000 0.531 114 T N 2.025 116.710 114.554 0.218 0.000 2.888 114 T HA 0.780 5.130 4.350 -0.000 0.000 0.284 114 T C -0.146 174.470 174.700 -0.140 0.000 1.017 114 T CA -0.382 61.769 62.100 0.086 0.000 1.022 114 T CB 1.141 70.069 68.868 0.101 0.000 1.013 114 T HN 0.742 nan 8.240 nan 0.000 0.465 115 G N 2.860 111.291 108.800 -0.614 0.000 2.742 115 G HA2 0.493 4.453 3.960 -0.000 0.000 0.296 115 G HA3 0.493 4.453 3.960 -0.000 0.000 0.296 115 G C -1.787 172.779 174.900 -0.557 0.000 1.436 115 G CA -0.618 44.022 45.100 -0.767 0.000 0.928 115 G HN 0.637 nan 8.290 nan 0.000 0.520 116 N N -0.125 118.529 118.700 -0.078 0.000 2.399 116 N HA 0.557 5.296 4.740 -0.000 0.000 0.284 116 N C -0.259 175.359 175.510 0.181 0.000 1.025 116 N CA -0.282 52.810 53.050 0.070 0.000 0.885 116 N CB 2.181 40.670 38.487 0.003 0.000 1.339 116 N HN 0.762 nan 8.380 nan 0.000 0.487 117 G N 2.391 111.368 108.800 0.295 0.000 2.370 117 G HA2 0.563 4.523 3.960 -0.000 0.000 0.317 117 G HA3 0.563 4.523 3.960 -0.000 0.000 0.317 117 G C -0.412 174.403 174.900 -0.141 0.000 1.162 117 G CA -0.390 44.701 45.100 -0.015 0.000 0.922 117 G HN 0.417 nan 8.290 nan 0.000 0.454 118 L N 2.148 123.105 121.223 -0.444 0.000 2.296 118 L HA 0.524 4.864 4.340 -0.000 0.000 0.286 118 L C -0.982 175.689 176.870 -0.332 0.000 1.023 118 L CA -0.645 54.115 54.840 -0.133 0.000 0.812 118 L CB 1.484 43.554 42.059 0.019 0.000 1.223 118 L HN 0.405 nan 8.230 nan 0.000 0.421 119 F N 4.439 124.628 119.950 0.397 0.000 2.496 119 F HA 0.508 5.034 4.527 -0.000 0.000 0.341 119 F C -0.433 175.716 175.800 0.582 0.000 1.134 119 F CA -0.496 57.746 58.000 0.403 0.000 0.968 119 F CB 1.490 40.731 39.000 0.402 0.000 1.205 119 F HN 0.178 nan 8.300 nan 0.000 0.436 120 L N 1.800 123.310 121.223 0.478 0.000 2.346 120 L HA 0.488 4.827 4.340 -0.000 0.000 0.274 120 L C 0.402 177.493 176.870 0.367 0.000 1.007 120 L CA -0.665 54.409 54.840 0.390 0.000 0.818 120 L CB 2.022 44.090 42.059 0.015 0.000 1.284 120 L HN 0.472 nan 8.230 nan 0.000 0.424 121 S N 1.411 117.394 115.700 0.471 0.000 2.546 121 S HA 0.051 4.521 4.470 -0.000 0.000 0.290 121 S C -0.047 174.642 174.600 0.148 0.000 1.290 121 S CA -0.499 57.918 58.200 0.362 0.000 1.069 121 S CB -0.043 63.383 63.200 0.376 0.000 0.846 121 S HN 0.604 nan 8.310 nan 0.000 0.495 122 E N 3.309 123.558 120.200 0.082 0.000 2.360 122 E HA 0.493 4.843 4.350 -0.000 0.000 0.269 122 E C 1.010 177.637 176.600 0.045 0.000 1.022 122 E CA -0.129 56.298 56.400 0.045 0.000 0.887 122 E CB 0.461 30.173 29.700 0.021 0.000 0.990 122 E HN 0.759 nan 8.360 nan 0.000 0.426 123 G N 2.760 111.577 108.800 0.029 0.000 2.336 123 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.194 123 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.194 123 G C 0.020 174.928 174.900 0.013 0.000 0.999 123 G CA -0.254 44.860 45.100 0.023 0.000 0.669 123 G HN 0.431 nan 8.290 nan 0.000 0.482 124 L N 1.850 123.079 121.223 0.010 0.000 2.319 124 L HA 0.431 4.771 4.340 -0.000 0.000 0.280 124 L C 0.717 177.574 176.870 -0.021 0.000 1.099 124 L CA -0.655 54.178 54.840 -0.012 0.000 0.828 124 L CB 1.077 43.118 42.059 -0.029 0.000 1.150 124 L HN -0.106 nan 8.230 nan 0.000 0.442 125 K N 5.146 125.531 120.400 -0.025 0.000 2.315 125 K HA 0.287 4.606 4.320 -0.000 0.000 0.291 125 K C -0.668 175.908 176.600 -0.040 0.000 1.074 125 K CA -0.091 56.180 56.287 -0.027 0.000 0.936 125 K CB 0.198 32.684 32.500 -0.024 0.000 1.049 125 K HN 0.500 nan 8.250 nan 0.000 0.471 126 L N 3.929 125.131 121.223 -0.035 0.000 2.312 126 L HA 0.253 4.593 4.340 -0.000 0.000 0.281 126 L C 0.323 177.182 176.870 -0.018 0.000 1.070 126 L CA -1.111 53.707 54.840 -0.037 0.000 0.805 126 L CB 1.316 43.360 42.059 -0.025 0.000 1.174 126 L HN 0.142 nan 8.230 nan 0.000 0.434 127 V N 2.652 122.559 119.914 -0.012 0.000 2.540 127 V HA -0.083 4.037 4.120 -0.000 0.000 0.297 127 V C 0.927 177.042 176.094 0.036 0.000 1.024 127 V CA 0.087 62.392 62.300 0.009 0.000 1.105 127 V CB 0.576 32.405 31.823 0.009 0.000 0.938 127 V HN 0.752 nan 8.190 nan 0.000 0.482 128 D N 3.239 123.644 120.400 0.008 0.000 2.117 128 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 128 D C 1.953 178.249 176.300 -0.007 0.000 0.987 128 D CA 1.312 55.309 54.000 -0.006 0.000 0.829 128 D CB 0.105 40.896 40.800 -0.015 0.000 0.961 128 D HN 0.617 nan 8.370 nan 0.000 0.460 129 K N -0.324 120.082 120.400 0.010 0.000 2.097 129 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 129 K C 2.083 178.694 176.600 0.019 0.000 1.050 129 K CA 0.495 56.784 56.287 0.003 0.000 0.938 129 K CB -0.187 32.318 32.500 0.009 0.000 0.718 129 K HN 0.055 nan 8.250 nan 0.000 0.442 130 F N 1.664 121.562 119.950 -0.086 0.000 2.146 130 F HA -0.101 4.425 4.527 -0.000 0.000 0.298 130 F C 1.663 177.397 175.800 -0.109 0.000 1.096 130 F CA 1.154 59.094 58.000 -0.101 0.000 1.275 130 F CB -0.103 38.828 39.000 -0.114 0.000 1.008 130 F HN -0.067 nan 8.300 nan 0.000 0.480 131 L N -0.082 121.043 121.223 -0.164 0.000 2.141 131 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 131 L C 2.497 179.222 176.870 -0.241 0.000 1.094 131 L CA 1.637 56.327 54.840 -0.251 0.000 0.763 131 L CB -0.773 41.214 42.059 -0.120 0.000 0.908 131 L HN 0.237 nan 8.230 nan 0.000 0.437 132 E N 0.355 120.456 120.200 -0.165 0.000 2.072 132 E HA -0.219 4.131 4.350 -0.000 0.000 0.190 132 E C 1.526 178.030 176.600 -0.161 0.000 0.982 132 E CA 1.228 57.548 56.400 -0.134 0.000 0.803 132 E CB 0.175 29.825 29.700 -0.084 0.000 0.755 132 E HN 0.385 nan 8.360 nan 0.000 0.453 133 D N 0.141 120.431 120.400 -0.183 0.000 2.117 133 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 133 D C 2.035 178.212 176.300 -0.206 0.000 0.987 133 D CA 0.748 54.644 54.000 -0.173 0.000 0.829 133 D CB -0.143 40.572 40.800 -0.142 0.000 0.961 133 D HN 0.063 nan 8.370 nan 0.000 0.460 134 V N 0.837 120.514 119.914 -0.394 0.000 2.237 134 V HA -0.265 3.854 4.120 -0.000 0.000 0.245 134 V C 2.320 178.279 176.094 -0.225 0.000 1.046 134 V CA 1.745 63.808 62.300 -0.395 0.000 1.007 134 V CB -0.270 31.168 31.823 -0.642 0.000 0.638 134 V HN 0.163 nan 8.190 nan 0.000 0.445 135 K N -0.055 120.210 120.400 -0.224 0.000 1.973 135 K HA -0.136 4.184 4.320 -0.000 0.000 0.210 135 K C 1.637 178.157 176.600 -0.133 0.000 1.045 135 K CA 1.255 57.450 56.287 -0.153 0.000 0.937 135 K CB -0.159 32.258 32.500 -0.139 0.000 0.721 135 K HN 0.052 nan 8.250 nan 0.000 0.438 136 K N 0.898 121.217 120.400 -0.135 0.000 2.862 136 K HA 0.208 4.528 4.320 -0.000 0.000 0.229 136 K C 0.363 176.845 176.600 -0.197 0.000 1.107 136 K CA 0.141 56.352 56.287 -0.128 0.000 1.222 136 K CB 0.014 32.468 32.500 -0.077 0.000 1.067 136 K HN 0.122 nan 8.250 nan 0.000 0.464 137 L N -1.735 119.312 121.223 -0.293 0.000 3.481 137 L HA 0.147 4.487 4.340 -0.000 0.000 0.338 137 L C -0.014 176.460 176.870 -0.660 0.000 1.039 137 L CA 0.057 54.657 54.840 -0.399 0.000 1.313 137 L CB 0.521 42.419 42.059 -0.267 0.000 2.046 137 L HN 0.184 nan 8.230 nan 0.000 0.609 138 Y N -1.189 118.842 120.300 -0.448 0.000 2.563 138 Y HA 0.219 4.768 4.550 -0.000 0.000 0.250 138 Y C 0.167 175.900 175.900 -0.279 0.000 1.126 138 Y CA -0.555 57.335 58.100 -0.351 0.000 1.231 138 Y CB 0.311 38.632 38.460 -0.231 0.000 1.288 138 Y HN 0.162 nan 8.280 nan 0.000 0.537 139 H N -0.967 118.119 119.070 0.026 0.000 2.692 139 H HA -0.158 4.398 4.556 -0.000 0.000 0.316 139 H C -0.221 175.108 175.328 0.002 0.000 1.176 139 H CA 0.533 56.584 56.048 0.005 0.000 1.142 139 H CB -1.691 28.080 29.762 0.015 0.000 1.475 139 H HN 0.072 nan 8.280 nan 0.000 0.423 140 S N -0.030 115.680 115.700 0.015 0.000 2.607 140 S HA 0.511 4.981 4.470 -0.000 0.000 0.303 140 S C 0.237 174.744 174.600 -0.155 0.000 1.086 140 S CA -1.156 57.020 58.200 -0.041 0.000 0.995 140 S CB 2.084 65.231 63.200 -0.089 0.000 1.084 140 S HN 0.288 nan 8.310 nan 0.000 0.507 141 E N 1.182 121.251 120.200 -0.218 0.000 2.175 141 E HA 0.640 4.989 4.350 -0.000 0.000 0.278 141 E C -0.832 175.271 176.600 -0.827 0.000 0.969 141 E CA -0.321 55.747 56.400 -0.553 0.000 0.796 141 E CB 1.418 30.810 29.700 -0.514 0.000 1.104 141 E HN 0.642 nan 8.360 nan 0.000 0.395 142 A N 3.710 125.968 122.820 -0.938 0.000 2.311 142 A HA 0.654 4.973 4.320 -0.000 0.000 0.306 142 A C -1.364 175.758 177.584 -0.770 0.000 1.189 142 A CA -0.592 51.013 52.037 -0.720 0.000 0.791 142 A CB 0.146 18.907 19.000 -0.398 0.000 1.172 142 A HN 0.444 nan 8.150 nan 0.000 0.481 143 F N 0.848 120.593 119.950 -0.342 0.000 2.538 143 F HA 0.652 5.179 4.527 -0.000 0.000 0.325 143 F C 0.872 176.633 175.800 -0.066 0.000 1.066 143 F CA -0.507 57.372 58.000 -0.201 0.000 0.946 143 F CB 2.474 41.344 39.000 -0.218 0.000 1.199 143 F HN 0.495 nan 8.300 nan 0.000 0.473 144 T N 0.456 115.121 114.554 0.186 0.000 2.772 144 T HA 0.724 5.073 4.350 -0.000 0.000 0.288 144 T C -0.680 174.050 174.700 0.051 0.000 0.994 144 T CA -0.667 61.494 62.100 0.101 0.000 0.951 144 T CB 0.656 69.557 68.868 0.056 0.000 0.933 144 T HN 0.642 nan 8.240 nan 0.000 0.447 145 V N 0.592 120.479 119.914 -0.044 0.000 3.001 145 V HA 0.663 4.783 4.120 -0.000 0.000 0.314 145 V C -0.350 175.588 176.094 -0.260 0.000 1.099 145 V CA -1.316 60.869 62.300 -0.191 0.000 0.989 145 V CB 2.132 33.758 31.823 -0.329 0.000 1.040 145 V HN 0.841 nan 8.190 nan 0.000 0.434 146 N N 1.209 119.791 118.700 -0.197 0.000 2.439 146 N HA 0.282 5.022 4.740 -0.000 0.000 0.243 146 N C -0.015 175.418 175.510 -0.129 0.000 1.088 146 N CA -0.156 52.831 53.050 -0.106 0.000 0.940 146 N CB 0.459 38.920 38.487 -0.042 0.000 1.180 146 N HN 0.743 nan 8.380 nan 0.000 0.505 147 F N 1.280 121.261 119.950 0.051 0.000 2.748 147 F HA 0.155 4.682 4.527 -0.000 0.000 0.299 147 F C 2.263 178.083 175.800 0.032 0.000 1.154 147 F CA 0.147 58.174 58.000 0.046 0.000 1.446 147 F CB -0.115 38.923 39.000 0.065 0.000 1.112 147 F HN 0.559 nan 8.300 nan 0.000 0.584 148 G N -1.323 107.576 108.800 0.166 0.000 2.448 148 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.219 148 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.219 148 G C 0.372 175.316 174.900 0.074 0.000 1.127 148 G CA 0.516 45.679 45.100 0.104 0.000 0.766 148 G HN 0.168 nan 8.290 nan 0.000 0.552 149 D N -0.423 120.012 120.400 0.057 0.000 2.460 149 D HA 0.334 4.974 4.640 -0.000 0.000 0.232 149 D C 1.225 177.551 176.300 0.044 0.000 1.079 149 D CA -0.240 53.781 54.000 0.035 0.000 0.864 149 D CB 1.262 42.066 40.800 0.008 0.000 1.048 149 D HN -0.095 nan 8.370 nan 0.000 0.523 150 T N 2.423 117.011 114.554 0.058 0.000 2.746 150 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 150 T C 1.495 176.216 174.700 0.035 0.000 1.039 150 T CA 0.933 63.074 62.100 0.068 0.000 1.142 150 T CB 0.296 69.200 68.868 0.060 0.000 0.866 150 T HN 0.385 nan 8.240 nan 0.000 0.444 151 E N 1.072 121.281 120.200 0.015 0.000 2.072 151 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 151 E C 2.222 178.811 176.600 -0.018 0.000 0.985 151 E CA 0.750 57.149 56.400 -0.001 0.000 0.801 151 E CB -0.371 29.327 29.700 -0.003 0.000 0.750 151 E HN 0.594 nan 8.360 nan 0.000 0.452 152 E N 0.791 120.976 120.200 -0.024 0.000 2.031 152 E HA -0.158 4.191 4.350 -0.000 0.000 0.193 152 E C 1.968 178.522 176.600 -0.077 0.000 0.994 152 E CA 1.136 57.508 56.400 -0.046 0.000 0.800 152 E CB 0.006 29.679 29.700 -0.045 0.000 0.752 152 E HN 0.124 nan 8.360 nan 0.000 0.447 153 A N 1.508 124.277 122.820 -0.086 0.000 1.902 153 A HA -0.217 4.102 4.320 -0.000 0.000 0.217 153 A C 2.160 179.670 177.584 -0.124 0.000 1.181 153 A CA 1.942 53.885 52.037 -0.156 0.000 0.623 153 A CB -0.495 18.414 19.000 -0.151 0.000 0.818 153 A HN 0.236 nan 8.150 nan 0.000 0.443 154 K N -0.346 120.027 120.400 -0.047 0.000 2.097 154 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 154 K C 2.148 178.707 176.600 -0.068 0.000 1.050 154 K CA 1.694 57.956 56.287 -0.042 0.000 0.938 154 K CB -0.139 32.359 32.500 -0.003 0.000 0.718 154 K HN 0.418 nan 8.250 nan 0.000 0.442 155 K N 0.260 120.623 120.400 -0.062 0.000 2.155 155 K HA -0.126 4.194 4.320 -0.000 0.000 0.203 155 K C 1.956 178.514 176.600 -0.071 0.000 1.052 155 K CA 1.175 57.428 56.287 -0.057 0.000 0.948 155 K CB 0.157 32.630 32.500 -0.044 0.000 0.728 155 K HN 0.172 nan 8.250 nan 0.000 0.448 156 Q N 0.137 119.877 119.800 -0.101 0.000 2.451 156 Q HA 0.061 4.401 4.340 -0.000 0.000 0.206 156 Q C 1.515 177.428 176.000 -0.146 0.000 0.947 156 Q CA 0.264 56.001 55.803 -0.111 0.000 0.937 156 Q CB 0.316 28.978 28.738 -0.127 0.000 1.025 156 Q HN 0.317 nan 8.270 nan 0.000 0.511 157 I N -0.127 120.297 120.570 -0.243 0.000 2.556 157 I HA -0.137 4.033 4.170 -0.000 0.000 0.251 157 I C 1.369 177.462 176.117 -0.040 0.000 1.105 157 I CA 0.317 61.385 61.300 -0.386 0.000 1.436 157 I CB 0.080 37.727 38.000 -0.588 0.000 1.139 157 I HN 0.134 nan 8.210 nan 0.000 0.438 158 N N 0.580 119.252 118.700 -0.047 0.000 2.459 158 N HA -0.154 4.586 4.740 -0.000 0.000 0.181 158 N C 1.244 176.741 175.510 -0.022 0.000 1.046 158 N CA 1.002 54.041 53.050 -0.020 0.000 0.904 158 N CB -0.248 38.218 38.487 -0.034 0.000 0.964 158 N HN 0.269 nan 8.380 nan 0.000 0.444 159 D N -0.474 119.923 120.400 -0.005 0.000 2.194 159 D HA -0.093 4.547 4.640 -0.000 0.000 0.204 159 D C 1.650 177.970 176.300 0.034 0.000 0.964 159 D CA 0.339 54.335 54.000 -0.007 0.000 0.846 159 D CB 0.052 40.843 40.800 -0.015 0.000 0.962 159 D HN 0.309 nan 8.370 nan 0.000 0.490 160 Y N 0.580 120.876 120.300 -0.007 0.000 2.314 160 Y HA -0.090 4.460 4.550 -0.000 0.000 0.293 160 Y C 1.734 177.663 175.900 0.047 0.000 1.129 160 Y CA 0.985 59.135 58.100 0.083 0.000 1.201 160 Y CB -0.108 38.516 38.460 0.274 0.000 0.999 160 Y HN -0.197 nan 8.280 nan 0.000 0.541 161 V N 0.552 120.313 119.914 -0.256 0.000 2.951 161 V HA -0.141 3.979 4.120 -0.000 0.000 0.255 161 V C 2.157 177.988 176.094 -0.439 0.000 1.088 161 V CA 1.566 63.518 62.300 -0.579 0.000 1.109 161 V CB -0.376 31.218 31.823 -0.380 0.000 0.724 161 V HN 0.374 nan 8.190 nan 0.000 0.471 162 E N 0.478 120.534 120.200 -0.240 0.000 2.051 162 E HA -0.253 4.096 4.350 -0.000 0.000 0.192 162 E C 2.272 178.764 176.600 -0.179 0.000 0.991 162 E CA 1.364 57.654 56.400 -0.183 0.000 0.799 162 E CB -0.029 29.605 29.700 -0.111 0.000 0.748 162 E HN 0.503 nan 8.360 nan 0.000 0.449 163 K N 0.043 120.352 120.400 -0.153 0.000 2.062 163 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 163 K C 2.173 178.697 176.600 -0.126 0.000 1.051 163 K CA 1.205 57.431 56.287 -0.101 0.000 0.941 163 K CB -0.219 32.262 32.500 -0.032 0.000 0.719 163 K HN 0.117 nan 8.250 nan 0.000 0.440 164 G N 0.264 108.921 108.800 -0.238 0.000 2.442 164 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.219 164 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 164 G C 1.285 176.128 174.900 -0.095 0.000 1.141 164 G CA 1.487 46.488 45.100 -0.166 0.000 0.763 164 G HN 0.526 nan 8.290 nan 0.000 0.554 165 T N -2.106 112.294 114.554 -0.257 0.000 3.244 165 T HA 0.286 4.636 4.350 -0.000 0.000 0.254 165 T C 1.074 175.637 174.700 -0.227 0.000 1.024 165 T CA 0.514 62.489 62.100 -0.209 0.000 0.920 165 T CB 0.246 68.929 68.868 -0.310 0.000 1.042 165 T HN 0.282 nan 8.240 nan 0.000 0.572 166 Q N 0.086 119.799 119.800 -0.144 0.000 2.264 166 Q HA -0.255 4.085 4.340 -0.000 0.000 0.207 166 Q C 1.242 177.152 176.000 -0.150 0.000 0.702 166 Q CA 1.646 57.376 55.803 -0.123 0.000 1.411 166 Q CB -2.388 26.287 28.738 -0.105 0.000 1.717 166 Q HN 1.366 nan 8.270 nan 0.000 0.683 167 G N -1.216 107.472 108.800 -0.186 0.000 2.159 167 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.170 167 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.170 167 G C 0.699 175.473 174.900 -0.209 0.000 1.007 167 G CA 0.273 45.271 45.100 -0.170 0.000 0.672 167 G HN 0.126 nan 8.290 nan 0.000 0.507 168 K N -0.073 120.143 120.400 -0.307 0.000 2.186 168 K HA 0.299 4.619 4.320 -0.000 0.000 0.202 168 K C 1.135 177.597 176.600 -0.230 0.000 1.052 168 K CA 0.578 56.647 56.287 -0.362 0.000 0.965 168 K CB 0.194 32.218 32.500 -0.793 0.000 0.746 168 K HN 0.548 nan 8.250 nan 0.000 0.457 169 I N 2.538 122.979 120.570 -0.215 0.000 2.328 169 I HA 0.116 4.286 4.170 -0.000 0.000 0.287 169 I C -0.022 176.013 176.117 -0.137 0.000 1.012 169 I CA -0.937 60.278 61.300 -0.142 0.000 1.195 169 I CB 1.476 39.403 38.000 -0.123 0.000 1.350 169 I HN -0.281 nan 8.210 nan 0.000 0.464 170 V N 1.584 121.442 119.914 -0.093 0.000 2.994 170 V HA 0.507 4.626 4.120 -0.000 0.000 0.318 170 V C 0.208 176.270 176.094 -0.053 0.000 1.085 170 V CA -0.822 61.431 62.300 -0.077 0.000 0.998 170 V CB 1.571 33.353 31.823 -0.067 0.000 1.063 170 V HN 0.799 nan 8.190 nan 0.000 0.447 171 D N 0.296 120.669 120.400 -0.045 0.000 2.730 171 D HA -0.221 4.419 4.640 -0.000 0.000 0.227 171 D C 0.803 177.091 176.300 -0.020 0.000 1.196 171 D CA 1.221 55.203 54.000 -0.030 0.000 0.620 171 D CB -0.438 40.346 40.800 -0.026 0.000 1.012 171 D HN 0.771 nan 8.370 nan 0.000 0.411 172 L N -0.335 120.878 121.223 -0.016 0.000 1.961 172 L HA -0.106 4.233 4.340 -0.000 0.000 0.210 172 L C 0.902 177.783 176.870 0.017 0.000 1.072 172 L CA 1.610 56.453 54.840 0.004 0.000 0.749 172 L CB -0.162 41.909 42.059 0.020 0.000 0.889 172 L HN 0.043 nan 8.230 nan 0.000 0.432 173 V N 2.528 122.454 119.914 0.020 0.000 2.415 173 V HA 0.058 4.178 4.120 -0.000 0.000 0.267 173 V C 1.375 177.477 176.094 0.012 0.000 1.042 173 V CA -0.173 62.142 62.300 0.025 0.000 1.000 173 V CB 0.524 32.362 31.823 0.026 0.000 1.015 173 V HN 0.387 nan 8.190 nan 0.000 0.478 174 K N 3.735 124.142 120.400 0.012 0.000 2.116 174 K HA 0.038 4.358 4.320 -0.000 0.000 0.203 174 K C 0.660 177.264 176.600 0.007 0.000 1.052 174 K CA 0.874 57.164 56.287 0.005 0.000 0.952 174 K CB 0.315 32.816 32.500 0.001 0.000 0.729 174 K HN 0.937 nan 8.250 nan 0.000 0.446 175 E N -0.263 119.944 120.200 0.013 0.000 2.356 175 E HA 0.518 4.868 4.350 -0.000 0.000 0.275 175 E C -1.084 175.529 176.600 0.022 0.000 0.904 175 E CA -0.694 55.715 56.400 0.014 0.000 0.757 175 E CB 1.859 31.564 29.700 0.009 0.000 1.232 175 E HN -0.154 nan 8.360 nan 0.000 0.442 176 L N 2.451 123.691 121.223 0.028 0.000 2.404 176 L HA 0.341 4.680 4.340 -0.000 0.000 0.272 176 L C -1.006 175.877 176.870 0.023 0.000 0.980 176 L CA -0.980 53.880 54.840 0.034 0.000 0.836 176 L CB 1.758 43.864 42.059 0.078 0.000 1.238 176 L HN 0.772 nan 8.230 nan 0.000 0.408 177 D N 2.174 122.575 120.400 0.002 0.000 2.339 177 D HA 0.098 4.737 4.640 -0.000 0.000 0.245 177 D C 1.045 177.344 176.300 -0.001 0.000 1.115 177 D CA -0.465 53.535 54.000 0.000 0.000 0.917 177 D CB 1.189 41.985 40.800 -0.007 0.000 1.192 177 D HN 0.372 nan 8.370 nan 0.000 0.428 178 R N 0.696 121.203 120.500 0.011 0.000 2.120 178 R HA -0.162 4.177 4.340 -0.000 0.000 0.234 178 R C 1.104 177.410 176.300 0.010 0.000 1.123 178 R CA 1.682 57.797 56.100 0.024 0.000 0.975 178 R CB -0.322 29.994 30.300 0.026 0.000 0.866 178 R HN 0.789 nan 8.270 nan 0.000 0.446 179 D N -0.341 120.053 120.400 -0.010 0.000 2.348 179 D HA -0.099 4.541 4.640 -0.000 0.000 0.216 179 D C 0.373 176.635 176.300 -0.064 0.000 0.970 179 D CA 0.389 54.379 54.000 -0.017 0.000 0.889 179 D CB -0.561 40.234 40.800 -0.008 0.000 0.912 179 D HN -0.074 nan 8.370 nan 0.000 0.524 180 T N 0.003 114.474 114.554 -0.138 0.000 2.905 180 T HA 0.128 4.478 4.350 -0.000 0.000 0.299 180 T C 1.249 175.662 174.700 -0.478 0.000 1.024 180 T CA 0.583 62.481 62.100 -0.336 0.000 1.151 180 T CB 0.712 69.288 68.868 -0.486 0.000 0.987 180 T HN 0.109 nan 8.240 nan 0.000 0.535 181 V N 3.307 123.009 119.914 -0.353 0.000 3.497 181 V HA 0.556 4.676 4.120 -0.000 0.000 0.272 181 V C -0.182 175.953 176.094 0.070 0.000 1.474 181 V CA -0.316 61.913 62.300 -0.117 0.000 1.025 181 V CB 0.201 32.051 31.823 0.045 0.000 0.820 181 V HN 0.714 nan 8.190 nan 0.000 0.437 182 F N 1.834 121.657 119.950 -0.211 0.000 2.689 182 F HA 0.867 5.394 4.527 -0.000 0.000 0.332 182 F C -0.656 175.165 175.800 0.036 0.000 1.209 182 F CA -1.163 56.854 58.000 0.028 0.000 1.028 182 F CB 1.261 40.275 39.000 0.023 0.000 1.291 182 F HN 0.228 nan 8.300 nan 0.000 0.500 183 A N 6.575 129.602 122.820 0.345 0.000 2.371 183 A HA 0.794 5.113 4.320 -0.000 0.000 0.311 183 A C -2.085 175.621 177.584 0.204 0.000 1.068 183 A CA -0.734 51.404 52.037 0.168 0.000 0.744 183 A CB 1.716 20.890 19.000 0.290 0.000 1.239 183 A HN 0.929 nan 8.150 nan 0.000 0.435 184 L N 3.049 124.296 121.223 0.040 0.000 2.333 184 L HA 0.799 5.139 4.340 -0.000 0.000 0.280 184 L C -1.546 175.476 176.870 0.253 0.000 1.004 184 L CA -0.635 54.260 54.840 0.092 0.000 0.820 184 L CB 1.709 43.676 42.059 -0.153 0.000 1.247 184 L HN 0.430 nan 8.230 nan 0.000 0.416 185 V N 5.090 125.227 119.914 0.371 0.000 2.483 185 V HA 0.424 4.544 4.120 -0.000 0.000 0.297 185 V C -0.552 175.803 176.094 0.434 0.000 1.027 185 V CA -0.638 61.927 62.300 0.441 0.000 0.855 185 V CB 1.601 33.775 31.823 0.586 0.000 0.995 185 V HN 0.797 nan 8.190 nan 0.000 0.424 186 N N 4.612 123.553 118.700 0.402 0.000 2.483 186 N HA 0.427 5.167 4.740 -0.000 0.000 0.267 186 N C -1.517 174.235 175.510 0.404 0.000 0.998 186 N CA -0.242 53.024 53.050 0.359 0.000 0.918 186 N CB 1.890 40.626 38.487 0.414 0.000 1.215 186 N HN 0.715 nan 8.380 nan 0.000 0.500 187 Y N 2.511 122.983 120.300 0.286 0.000 2.562 187 Y HA 0.815 5.365 4.550 -0.000 0.000 0.343 187 Y C -0.956 175.099 175.900 0.258 0.000 1.025 187 Y CA -1.227 57.000 58.100 0.212 0.000 1.082 187 Y CB 1.441 39.998 38.460 0.163 0.000 1.264 187 Y HN 0.324 nan 8.280 nan 0.000 0.478 188 I N 3.094 123.949 120.570 0.474 0.000 2.715 188 I HA 0.439 4.609 4.170 -0.000 0.000 0.288 188 I C -2.405 174.032 176.117 0.532 0.000 1.371 188 I CA -0.679 60.910 61.300 0.481 0.000 1.056 188 I CB 1.529 39.825 38.000 0.494 0.000 1.339 188 I HN 0.760 nan 8.210 nan 0.000 0.425 189 F N 8.937 129.102 119.950 0.359 0.000 2.518 189 F HA 0.725 5.252 4.527 -0.001 0.000 0.323 189 F C -2.112 173.884 175.800 0.327 0.000 1.129 189 F CA -0.748 57.413 58.000 0.268 0.000 0.920 189 F CB 1.562 40.666 39.000 0.174 0.000 1.160 189 F HN 0.339 nan 8.300 nan 0.000 0.440 190 F N 6.550 126.125 119.950 -0.625 0.000 2.561 190 F HA 0.571 5.098 4.527 -0.000 0.000 0.313 190 F C -1.680 173.652 175.800 -0.780 0.000 1.126 190 F CA -0.782 56.906 58.000 -0.522 0.000 0.918 190 F CB 1.558 40.439 39.000 -0.197 0.000 1.199 190 F HN 0.444 nan 8.300 nan 0.000 0.444 191 K N 4.683 124.251 120.400 -1.386 0.000 2.723 191 K HA 0.577 4.896 4.320 -0.000 0.000 0.229 191 K C -0.780 175.089 176.600 -1.219 0.000 1.022 191 K CA -0.302 55.306 56.287 -1.132 0.000 1.045 191 K CB 0.954 33.053 32.500 -0.668 0.000 1.227 191 K HN 0.800 nan 8.250 nan 0.000 0.516 192 G N 2.704 110.461 108.800 -1.738 0.000 2.476 192 G HA2 0.315 4.274 3.960 -0.000 0.000 0.269 192 G HA3 0.315 4.274 3.960 -0.000 0.000 0.269 192 G C -0.916 173.614 174.900 -0.617 0.000 1.195 192 G CA -0.706 43.541 45.100 -1.422 0.000 0.843 192 G HN 0.501 nan 8.290 nan 0.000 0.545 193 K N 1.074 121.331 120.400 -0.238 0.000 2.263 193 K HA 0.159 4.479 4.320 -0.000 0.000 0.272 193 K C -0.821 175.885 176.600 0.177 0.000 1.033 193 K CA -0.359 55.901 56.287 -0.045 0.000 0.884 193 K CB 1.605 34.117 32.500 0.019 0.000 1.107 193 K HN 0.559 nan 8.250 nan 0.000 0.460 194 W N 2.545 124.004 121.300 0.265 0.000 2.223 194 W HA -0.009 4.651 4.660 -0.000 0.000 0.334 194 W C 1.301 177.874 176.519 0.090 0.000 1.334 194 W CA -0.314 57.116 57.345 0.141 0.000 1.246 194 W CB 0.402 29.907 29.460 0.075 0.000 1.184 194 W HN 0.652 nan 8.180 nan 0.000 0.563 195 E N 1.869 122.248 120.200 0.298 0.000 2.110 195 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 195 E C 0.391 177.018 176.600 0.045 0.000 0.988 195 E CA 1.075 57.545 56.400 0.117 0.000 0.804 195 E CB 0.023 29.729 29.700 0.010 0.000 0.745 195 E HN 0.394 nan 8.360 nan 0.000 0.458 196 R N 1.510 122.029 120.500 0.032 0.000 2.363 196 R HA 0.281 4.620 4.340 -0.000 0.000 0.297 196 R C -2.500 173.796 176.300 -0.008 0.000 1.208 196 R CA -1.601 54.497 56.100 -0.003 0.000 1.121 196 R CB 1.237 31.368 30.300 -0.281 0.000 1.124 196 R HN 0.033 nan 8.270 nan 0.000 0.561 197 P HA 0.171 nan 4.420 nan 0.000 0.276 197 P C -0.529 176.738 177.300 -0.056 0.000 1.261 197 P CA -0.266 62.933 63.100 0.165 0.000 0.800 197 P CB 0.650 32.511 31.700 0.268 0.000 1.066 198 F N -0.826 119.188 119.950 0.107 0.000 2.380 198 F HA 0.318 4.844 4.527 -0.001 0.000 0.319 198 F C 1.354 177.183 175.800 0.048 0.000 1.113 198 F CA -0.365 57.661 58.000 0.044 0.000 1.056 198 F CB 0.580 39.585 39.000 0.008 0.000 1.289 198 F HN 0.173 nan 8.300 nan 0.000 0.515 199 E N 0.354 120.686 120.200 0.220 0.000 2.156 199 E HA 0.235 4.584 4.350 -0.000 0.000 0.279 199 E C 0.481 177.137 176.600 0.095 0.000 0.965 199 E CA -0.423 56.048 56.400 0.118 0.000 0.789 199 E CB 1.986 31.721 29.700 0.059 0.000 1.098 199 E HN 0.417 nan 8.360 nan 0.000 0.397 200 V N 4.958 124.915 119.914 0.071 0.000 2.278 200 V HA -0.384 3.736 4.120 -0.000 0.000 0.251 200 V C 2.376 178.479 176.094 0.014 0.000 1.062 200 V CA 2.493 64.814 62.300 0.036 0.000 1.038 200 V CB -0.689 31.151 31.823 0.029 0.000 0.646 200 V HN 0.771 nan 8.190 nan 0.000 0.447 201 K N -0.019 120.389 120.400 0.014 0.000 2.293 201 K HA -0.273 4.047 4.320 -0.000 0.000 0.204 201 K C 1.209 177.806 176.600 -0.004 0.000 1.045 201 K CA 2.253 58.542 56.287 0.003 0.000 0.933 201 K CB -0.408 32.094 32.500 0.003 0.000 0.736 201 K HN 0.441 nan 8.250 nan 0.000 0.463 202 D N 0.837 121.237 120.400 0.001 0.000 2.350 202 D HA 0.017 4.657 4.640 -0.000 0.000 0.213 202 D C -0.156 176.112 176.300 -0.053 0.000 1.031 202 D CA 0.397 54.388 54.000 -0.015 0.000 0.861 202 D CB 0.372 41.179 40.800 0.011 0.000 0.926 202 D HN 0.153 nan 8.370 nan 0.000 0.520 203 T N 1.652 116.174 114.554 -0.053 0.000 2.779 203 T HA 0.235 4.585 4.350 -0.000 0.000 0.296 203 T C 0.282 174.940 174.700 -0.070 0.000 0.938 203 T CA 0.122 62.170 62.100 -0.087 0.000 1.119 203 T CB 1.390 70.209 68.868 -0.081 0.000 0.891 203 T HN -0.033 nan 8.240 nan 0.000 0.526 204 E N 1.682 121.832 120.200 -0.084 0.000 2.317 204 E HA 0.287 4.637 4.350 -0.000 0.000 0.270 204 E C -0.837 175.736 176.600 -0.046 0.000 0.885 204 E CA -0.916 55.450 56.400 -0.057 0.000 0.760 204 E CB 1.896 31.563 29.700 -0.055 0.000 1.227 204 E HN 0.417 nan 8.360 nan 0.000 0.434 205 E N 2.223 122.407 120.200 -0.027 0.000 2.366 205 E HA 0.031 4.381 4.350 -0.000 0.000 0.266 205 E C -0.824 175.776 176.600 -0.000 0.000 1.015 205 E CA 0.606 56.998 56.400 -0.014 0.000 0.906 205 E CB 0.412 30.105 29.700 -0.011 0.000 0.979 205 E HN 0.203 nan 8.360 nan 0.000 0.443 206 E N 2.637 122.847 120.200 0.016 0.000 2.429 206 E HA 0.268 4.618 4.350 -0.000 0.000 0.276 206 E C -0.980 175.646 176.600 0.044 0.000 0.953 206 E CA -0.851 55.571 56.400 0.036 0.000 0.787 206 E CB 0.900 30.639 29.700 0.065 0.000 1.307 206 E HN 0.414 nan 8.360 nan 0.000 0.458 207 D N 0.734 121.144 120.400 0.016 0.000 2.414 207 D HA 0.196 4.836 4.640 -0.000 0.000 0.242 207 D C -0.606 175.690 176.300 -0.007 0.000 1.129 207 D CA 0.427 54.392 54.000 -0.058 0.000 0.885 207 D CB 0.296 40.974 40.800 -0.203 0.000 1.198 207 D HN 0.159 nan 8.370 nan 0.000 0.437 208 F N 2.252 122.106 119.950 -0.159 0.000 2.507 208 F HA 0.198 4.725 4.527 -0.001 0.000 0.325 208 F C -0.234 175.475 175.800 -0.150 0.000 1.116 208 F CA -0.735 57.228 58.000 -0.062 0.000 0.930 208 F CB 1.171 40.188 39.000 0.028 0.000 1.146 208 F HN 0.245 nan 8.300 nan 0.000 0.447 209 H N 6.844 125.730 119.070 -0.308 0.000 2.820 209 H HA 0.226 4.782 4.556 -0.000 0.000 0.278 209 H C 1.067 176.391 175.328 -0.006 0.000 1.142 209 H CA 0.046 56.032 56.048 -0.102 0.000 1.346 209 H CB 1.551 31.232 29.762 -0.134 0.000 1.438 209 H HN 0.697 nan 8.280 nan 0.000 0.473 210 V N 0.587 120.656 119.914 0.258 0.000 2.951 210 V HA -0.003 4.117 4.120 -0.000 0.000 0.255 210 V C 0.312 176.515 176.094 0.182 0.000 1.088 210 V CA 1.092 63.567 62.300 0.291 0.000 1.109 210 V CB -0.298 31.672 31.823 0.245 0.000 0.724 210 V HN 0.698 nan 8.190 nan 0.000 0.471 211 D N -2.612 117.875 120.400 0.145 0.000 2.759 211 D HA 0.209 4.848 4.640 -0.000 0.000 0.321 211 D C 0.541 176.902 176.300 0.101 0.000 1.267 211 D CA -0.592 53.472 54.000 0.107 0.000 0.933 211 D CB 0.696 41.547 40.800 0.085 0.000 1.431 211 D HN -0.118 nan 8.370 nan 0.000 0.504 212 Q N -1.023 118.817 119.800 0.067 0.000 2.364 212 Q HA 0.017 4.356 4.340 -0.000 0.000 0.207 212 Q C 1.409 177.446 176.000 0.063 0.000 0.970 212 Q CA 1.476 57.307 55.803 0.046 0.000 0.888 212 Q CB 0.114 28.866 28.738 0.023 0.000 0.951 212 Q HN 0.473 nan 8.270 nan 0.000 0.469 213 V N -4.494 115.462 119.914 0.070 0.000 3.380 213 V HA 0.287 4.407 4.120 -0.000 0.000 0.307 213 V C 0.076 176.215 176.094 0.075 0.000 1.434 213 V CA -0.276 62.064 62.300 0.067 0.000 1.075 213 V CB 0.982 32.832 31.823 0.045 0.000 0.954 213 V HN -0.095 nan 8.190 nan 0.000 0.444 214 T N 2.027 116.636 114.554 0.092 0.000 2.921 214 T HA 0.658 5.007 4.350 -0.000 0.000 0.297 214 T C -0.157 174.581 174.700 0.065 0.000 1.013 214 T CA 0.070 62.213 62.100 0.072 0.000 0.990 214 T CB 1.914 70.822 68.868 0.067 0.000 1.023 214 T HN 0.620 nan 8.240 nan 0.000 0.447 215 T N -0.597 113.966 114.554 0.014 0.000 2.924 215 T HA 0.865 5.215 4.350 -0.000 0.000 0.291 215 T C -0.705 173.998 174.700 0.005 0.000 1.045 215 T CA -0.841 61.229 62.100 -0.050 0.000 1.015 215 T CB 1.790 70.555 68.868 -0.172 0.000 1.103 215 T HN 0.418 nan 8.240 nan 0.000 0.496 216 V N 1.247 121.182 119.914 0.035 0.000 2.962 216 V HA 0.540 4.660 4.120 -0.000 0.000 0.313 216 V C -0.976 175.143 176.094 0.041 0.000 1.099 216 V CA -1.098 61.227 62.300 0.041 0.000 0.971 216 V CB 2.399 34.255 31.823 0.054 0.000 1.028 216 V HN 0.841 nan 8.190 nan 0.000 0.430 217 K N 3.363 123.773 120.400 0.017 0.000 2.297 217 K HA 0.538 4.857 4.320 -0.000 0.000 0.286 217 K C -0.613 175.994 176.600 0.010 0.000 1.053 217 K CA -0.065 56.231 56.287 0.015 0.000 0.940 217 K CB 1.353 33.854 32.500 0.002 0.000 1.019 217 K HN 0.636 nan 8.250 nan 0.000 0.475 218 V N 0.121 120.052 119.914 0.027 0.000 2.876 218 V HA 0.564 4.684 4.120 -0.000 0.000 0.312 218 V C -2.666 173.428 176.094 -0.000 0.000 1.085 218 V CA -2.798 59.506 62.300 0.006 0.000 0.945 218 V CB 2.069 33.903 31.823 0.017 0.000 1.017 218 V HN 0.475 nan 8.190 nan 0.000 0.428 219 P HA 0.206 nan 4.420 nan 0.000 0.264 219 P C -0.738 176.528 177.300 -0.057 0.000 1.229 219 P CA 0.210 63.285 63.100 -0.043 0.000 0.780 219 P CB 0.625 32.293 31.700 -0.053 0.000 0.808 220 M N 5.592 125.152 119.600 -0.067 0.000 2.088 220 M HA 0.303 4.783 4.480 -0.000 0.000 0.346 220 M C -0.199 175.972 176.300 -0.216 0.000 1.111 220 M CA -0.463 54.775 55.300 -0.103 0.000 1.017 220 M CB 0.387 32.960 32.600 -0.046 0.000 1.568 220 M HN 0.215 nan 8.290 nan 0.000 0.445 221 M N 4.510 123.911 119.600 -0.331 0.000 2.242 221 M HA 0.343 4.823 4.480 -0.000 0.000 0.344 221 M C -0.435 175.600 176.300 -0.441 0.000 1.140 221 M CA 0.347 55.350 55.300 -0.495 0.000 1.160 221 M CB 0.652 32.652 32.600 -0.999 0.000 1.491 221 M HN 0.489 nan 8.290 nan 0.000 0.459 222 K N 2.024 122.296 120.400 -0.213 0.000 2.535 222 K HA 0.629 4.949 4.320 -0.000 0.000 0.251 222 K C -1.204 175.508 176.600 0.187 0.000 0.942 222 K CA -0.819 55.405 56.287 -0.106 0.000 0.798 222 K CB 3.033 35.338 32.500 -0.324 0.000 1.267 222 K HN 0.586 nan 8.250 nan 0.000 0.434 223 R N 2.609 123.252 120.500 0.238 0.000 2.535 223 R HA 0.279 4.619 4.340 -0.000 0.000 0.274 223 R C -1.814 174.628 176.300 0.236 0.000 1.090 223 R CA -0.871 55.358 56.100 0.215 0.000 0.930 223 R CB 1.132 31.532 30.300 0.166 0.000 1.223 223 R HN 0.483 nan 8.270 nan 0.000 0.441 224 L N 4.215 125.532 121.223 0.156 0.000 2.260 224 L HA 0.796 5.136 4.340 -0.000 0.000 0.289 224 L C -0.393 176.544 176.870 0.112 0.000 1.057 224 L CA 0.596 55.529 54.840 0.155 0.000 0.811 224 L CB 0.865 42.975 42.059 0.085 0.000 1.184 224 L HN 0.804 nan 8.230 nan 0.000 0.429 225 G N 4.750 113.644 108.800 0.157 0.000 2.490 225 G HA2 0.393 4.352 3.960 -0.000 0.000 0.308 225 G HA3 0.393 4.352 3.960 -0.000 0.000 0.308 225 G C -1.493 173.253 174.900 -0.257 0.000 1.286 225 G CA -0.912 44.090 45.100 -0.164 0.000 0.825 225 G HN 0.330 nan 8.290 nan 0.000 0.479 226 M N 0.949 120.243 119.600 -0.509 0.000 2.061 226 M HA 0.556 5.035 4.480 -0.000 0.000 0.346 226 M C -1.480 174.498 176.300 -0.537 0.000 1.112 226 M CA -0.253 54.852 55.300 -0.324 0.000 1.021 226 M CB 0.242 32.722 32.600 -0.199 0.000 1.530 226 M HN 0.325 nan 8.290 nan 0.000 0.437 227 F N 0.871 120.782 119.950 -0.065 0.000 2.579 227 F HA 0.360 4.886 4.527 -0.001 0.000 0.324 227 F C 0.862 176.637 175.800 -0.042 0.000 1.058 227 F CA -0.884 57.063 58.000 -0.088 0.000 0.944 227 F CB 1.372 40.302 39.000 -0.117 0.000 1.245 227 F HN 0.512 nan 8.300 nan 0.000 0.477 228 N N 2.335 121.128 118.700 0.155 0.000 2.605 228 N HA 0.383 5.123 4.740 -0.000 0.000 0.258 228 N C -1.304 174.282 175.510 0.127 0.000 1.156 228 N CA 0.067 53.185 53.050 0.113 0.000 1.008 228 N CB 0.006 38.535 38.487 0.069 0.000 1.354 228 N HN 0.525 nan 8.380 nan 0.000 0.509 229 I N 2.250 122.921 120.570 0.169 0.000 2.656 229 I HA 0.288 4.458 4.170 -0.000 0.000 0.292 229 I C -1.690 174.606 176.117 0.298 0.000 1.144 229 I CA -0.537 60.884 61.300 0.200 0.000 1.038 229 I CB 1.534 39.624 38.000 0.149 0.000 1.244 229 I HN 0.446 nan 8.210 nan 0.000 0.420 230 Q N 6.417 126.428 119.800 0.353 0.000 2.426 230 Q HA 0.377 4.716 4.340 -0.000 0.000 0.278 230 Q C -1.693 174.373 176.000 0.110 0.000 1.007 230 Q CA -0.810 55.159 55.803 0.276 0.000 0.850 230 Q CB 2.219 31.079 28.738 0.203 0.000 1.427 230 Q HN 0.683 nan 8.270 nan 0.000 0.391 234 K N 1.924 122.350 120.400 0.042 0.000 2.044 234 K HA -0.047 4.273 4.320 -0.000 0.000 0.210 234 K C 1.456 178.169 176.600 0.188 0.000 1.049 234 K CA 1.551 57.889 56.287 0.085 0.000 0.927 234 K CB -0.026 32.510 32.500 0.060 0.000 0.713 234 K HN 0.093 nan 8.250 nan 0.000 0.443 235 L N 1.141 122.453 121.223 0.148 0.000 2.591 235 L HA 0.073 4.413 4.340 -0.000 0.000 0.228 235 L C 0.224 177.190 176.870 0.161 0.000 1.133 235 L CA -0.117 54.837 54.840 0.190 0.000 0.880 235 L CB 0.021 42.169 42.059 0.148 0.000 1.033 235 L HN 0.112 nan 8.230 nan 0.000 0.450 236 S N 0.488 116.204 115.700 0.027 0.000 3.477 236 S HA -0.169 4.301 4.470 -0.000 0.000 0.371 236 S C 0.165 174.717 174.600 -0.079 0.000 0.965 236 S CA 0.553 58.732 58.200 -0.035 0.000 1.239 236 S CB -1.072 62.095 63.200 -0.055 0.000 0.918 236 S HN 0.545 nan 8.310 nan 0.000 0.498 237 S N -0.875 114.614 115.700 -0.351 0.000 2.541 237 S HA 0.533 5.003 4.470 -0.000 0.000 0.271 237 S C -0.642 173.697 174.600 -0.435 0.000 1.133 237 S CA -0.960 57.124 58.200 -0.194 0.000 0.876 237 S CB 0.875 64.150 63.200 0.124 0.000 1.105 237 S HN 0.468 nan 8.310 nan 0.000 0.470 238 W N 1.675 122.907 121.300 -0.114 0.000 2.238 238 W HA 0.509 5.169 4.660 -0.000 0.000 0.321 238 W C -0.463 176.015 176.519 -0.068 0.000 1.293 238 W CA -0.234 57.070 57.345 -0.068 0.000 1.204 238 W CB 0.654 30.059 29.460 -0.091 0.000 1.167 238 W HN 0.276 nan 8.180 nan 0.000 0.553 239 V N 5.824 125.805 119.914 0.112 0.000 2.443 239 V HA 0.380 4.499 4.120 -0.000 0.000 0.293 239 V C -0.857 175.154 176.094 -0.139 0.000 1.021 239 V CA -0.994 61.148 62.300 -0.265 0.000 0.848 239 V CB 1.170 32.497 31.823 -0.826 0.000 0.998 239 V HN 0.329 nan 8.190 nan 0.000 0.424 240 L N 6.617 127.789 121.223 -0.085 0.000 2.362 240 L HA 0.805 5.145 4.340 -0.000 0.000 0.275 240 L C -1.372 175.472 176.870 -0.042 0.000 0.998 240 L CA -0.198 54.621 54.840 -0.035 0.000 0.820 240 L CB 1.687 43.683 42.059 -0.106 0.000 1.270 240 L HN 0.507 nan 8.230 nan 0.000 0.415 241 L N 5.960 127.165 121.223 -0.029 0.000 2.333 241 L HA 0.654 4.994 4.340 -0.000 0.000 0.280 241 L C -0.506 176.374 176.870 0.018 0.000 1.004 241 L CA -0.019 54.820 54.840 -0.003 0.000 0.820 241 L CB 1.833 43.894 42.059 0.002 0.000 1.247 241 L HN 0.631 nan 8.230 nan 0.000 0.416 242 M N 2.760 122.379 119.600 0.032 0.000 2.393 242 M HA 0.480 4.960 4.480 -0.000 0.000 0.299 242 M C -0.718 175.625 176.300 0.071 0.000 1.103 242 M CA -0.777 54.504 55.300 -0.031 0.000 0.910 242 M CB 2.560 34.958 32.600 -0.336 0.000 1.659 242 M HN 0.419 nan 8.290 nan 0.000 0.445 243 K N 1.717 122.161 120.400 0.073 0.000 2.144 243 K HA 0.481 4.801 4.320 -0.000 0.000 0.270 243 K C -1.399 175.316 176.600 0.191 0.000 1.005 243 K CA -0.275 56.082 56.287 0.116 0.000 0.932 243 K CB 1.129 33.680 32.500 0.085 0.000 1.021 243 K HN 0.487 nan 8.250 nan 0.000 0.462 244 Y N 1.037 121.508 120.300 0.286 0.000 2.453 244 Y HA 0.172 4.722 4.550 -0.000 0.000 0.326 244 Y C 0.349 176.339 175.900 0.150 0.000 1.186 244 Y CA -1.301 56.929 58.100 0.217 0.000 1.200 244 Y CB 0.801 39.380 38.460 0.197 0.000 1.247 244 Y HN 0.239 nan 8.280 nan 0.000 0.482 245 L N 1.903 123.308 121.223 0.305 0.000 2.483 245 L HA 0.305 4.645 4.340 -0.000 0.000 0.276 245 L C 0.746 177.725 176.870 0.182 0.000 1.213 245 L CA 0.727 55.681 54.840 0.190 0.000 0.843 245 L CB -0.548 41.596 42.059 0.141 0.000 1.107 245 L HN 0.875 nan 8.230 nan 0.000 0.487 246 G N 3.306 112.185 108.800 0.133 0.000 2.828 246 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.463 246 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.463 246 G C -0.237 174.741 174.900 0.131 0.000 1.394 246 G CA -0.283 44.888 45.100 0.118 0.000 0.862 246 G HN 0.766 nan 8.290 nan 0.000 0.540 247 N N 0.975 119.737 118.700 0.103 0.000 3.044 247 N HA 0.606 5.346 4.740 -0.000 0.000 0.254 247 N C 0.156 175.729 175.510 0.105 0.000 1.253 247 N CA 0.353 53.463 53.050 0.100 0.000 0.944 247 N CB 1.238 39.766 38.487 0.067 0.000 1.217 247 N HN 1.012 nan 8.380 nan 0.000 0.498 248 A N 0.621 123.545 122.820 0.172 0.000 2.566 248 A HA 0.839 5.159 4.320 -0.000 0.000 0.292 248 A C -0.715 177.038 177.584 0.281 0.000 1.112 248 A CA -0.575 51.578 52.037 0.194 0.000 0.707 248 A CB 1.611 20.707 19.000 0.161 0.000 1.302 248 A HN 0.188 nan 8.150 nan 0.000 0.409 249 T N 0.991 115.689 114.554 0.239 0.000 2.921 249 T HA 0.647 4.997 4.350 -0.000 0.000 0.297 249 T C -0.338 174.475 174.700 0.188 0.000 1.013 249 T CA 0.136 62.349 62.100 0.188 0.000 0.990 249 T CB 1.545 70.487 68.868 0.122 0.000 1.023 249 T HN 1.376 nan 8.240 nan 0.000 0.447 250 A N 3.416 126.319 122.820 0.139 0.000 2.289 250 A HA 0.807 5.127 4.320 -0.000 0.000 0.298 250 A C -0.321 177.172 177.584 -0.152 0.000 1.208 250 A CA -0.624 51.438 52.037 0.041 0.000 0.845 250 A CB 0.077 19.155 19.000 0.130 0.000 1.125 250 A HN 0.926 nan 8.150 nan 0.000 0.517 251 I N 2.193 122.616 120.570 -0.246 0.000 2.436 251 I HA 0.715 4.885 4.170 -0.000 0.000 0.289 251 I C -1.717 174.168 176.117 -0.387 0.000 1.010 251 I CA -0.888 60.248 61.300 -0.274 0.000 1.098 251 I CB 1.010 38.915 38.000 -0.158 0.000 1.266 251 I HN 0.543 nan 8.210 nan 0.000 0.434 252 F N 7.060 126.900 119.950 -0.183 0.000 2.495 252 F HA 0.545 5.072 4.527 -0.000 0.000 0.327 252 F C -0.847 174.917 175.800 -0.059 0.000 1.103 252 F CA -0.517 57.505 58.000 0.037 0.000 0.949 252 F CB 1.597 40.466 39.000 -0.219 0.000 1.142 252 F HN 0.205 nan 8.300 nan 0.000 0.457 253 F N 3.852 124.126 119.950 0.540 0.000 2.460 253 F HA 0.496 5.023 4.527 -0.000 0.000 0.341 253 F C -0.634 175.408 175.800 0.404 0.000 1.130 253 F CA -0.878 57.339 58.000 0.363 0.000 0.962 253 F CB 1.725 40.856 39.000 0.219 0.000 1.171 253 F HN 0.209 nan 8.300 nan 0.000 0.436 254 L N 7.548 128.999 121.223 0.379 0.000 2.313 254 L HA 0.592 4.932 4.340 -0.000 0.000 0.273 254 L C -2.493 174.487 176.870 0.184 0.000 1.028 254 L CA -2.325 52.611 54.840 0.160 0.000 0.871 254 L CB 0.592 42.375 42.059 -0.459 0.000 1.242 254 L HN 0.170 nan 8.230 nan 0.000 0.434 255 P HA 0.103 nan 4.420 nan 0.000 0.271 255 P C -0.809 176.568 177.300 0.129 0.000 1.218 255 P CA -0.168 63.030 63.100 0.163 0.000 0.780 255 P CB 0.738 32.539 31.700 0.167 0.000 0.901 256 D N 0.906 121.376 120.400 0.117 0.000 2.354 256 D HA 0.026 4.666 4.640 -0.000 0.000 0.238 256 D C 0.449 176.780 176.300 0.052 0.000 1.250 256 D CA 0.251 54.304 54.000 0.089 0.000 0.911 256 D CB 0.191 41.035 40.800 0.074 0.000 1.163 256 D HN 0.368 nan 8.370 nan 0.000 0.456 257 E N -0.655 119.558 120.200 0.022 0.000 2.480 257 E HA 0.286 4.636 4.350 -0.000 0.000 0.258 257 E C 1.027 177.636 176.600 0.016 0.000 0.984 257 E CA 0.980 57.387 56.400 0.011 0.000 0.930 257 E CB -0.009 29.684 29.700 -0.012 0.000 0.936 257 E HN 0.604 nan 8.360 nan 0.000 0.466 258 G N 4.353 113.171 108.800 0.030 0.000 2.179 258 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.260 258 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.260 258 G C 0.720 175.646 174.900 0.044 0.000 0.977 258 G CA 0.399 45.518 45.100 0.032 0.000 0.641 258 G HN 0.470 nan 8.290 nan 0.000 0.533 259 K N -0.392 120.043 120.400 0.058 0.000 2.387 259 K HA 0.367 4.687 4.320 -0.000 0.000 0.203 259 K C 2.047 178.732 176.600 0.141 0.000 1.030 259 K CA 0.157 56.492 56.287 0.080 0.000 1.099 259 K CB 0.293 32.811 32.500 0.030 0.000 0.863 259 K HN 0.395 nan 8.250 nan 0.000 0.529 260 L N 2.007 123.307 121.223 0.129 0.000 1.990 260 L HA -0.254 4.086 4.340 -0.000 0.000 0.213 260 L C 2.357 179.307 176.870 0.134 0.000 1.072 260 L CA 2.197 57.124 54.840 0.145 0.000 0.755 260 L CB -0.551 41.595 42.059 0.145 0.000 0.889 260 L HN 0.143 nan 8.230 nan 0.000 0.432 261 Q N -1.388 118.485 119.800 0.122 0.000 2.079 261 Q HA -0.249 4.090 4.340 -0.000 0.000 0.200 261 Q C 2.292 178.339 176.000 0.078 0.000 0.974 261 Q CA 2.015 57.877 55.803 0.099 0.000 0.840 261 Q CB -0.428 28.362 28.738 0.087 0.000 0.898 261 Q HN 0.780 nan 8.270 nan 0.000 0.430 262 H N -0.088 118.991 119.070 0.016 0.000 2.289 262 H HA -0.155 4.401 4.556 -0.000 0.000 0.296 262 H C 1.846 177.157 175.328 -0.028 0.000 1.091 262 H CA 2.046 58.090 56.048 -0.006 0.000 1.274 262 H CB -0.441 29.321 29.762 -0.000 0.000 1.364 262 H HN 0.354 nan 8.280 nan 0.000 0.490 263 L N 0.967 122.233 121.223 0.072 0.000 1.990 263 L HA -0.214 4.126 4.340 -0.000 0.000 0.213 263 L C 1.844 178.614 176.870 -0.167 0.000 1.072 263 L CA 2.463 57.282 54.840 -0.034 0.000 0.755 263 L CB -0.887 41.215 42.059 0.072 0.000 0.889 263 L HN 0.565 nan 8.230 nan 0.000 0.432 264 E N -0.069 120.085 120.200 -0.076 0.000 2.130 264 E HA -0.249 4.101 4.350 -0.000 0.000 0.196 264 E C 1.780 178.283 176.600 -0.162 0.000 0.998 264 E CA 1.586 57.938 56.400 -0.079 0.000 0.806 264 E CB -0.111 29.661 29.700 0.120 0.000 0.738 264 E HN 0.604 nan 8.360 nan 0.000 0.459 265 N N 0.633 119.232 118.700 -0.169 0.000 2.270 265 N HA -0.106 4.634 4.740 -0.000 0.000 0.181 265 N C 1.361 176.697 175.510 -0.290 0.000 1.016 265 N CA 0.820 53.750 53.050 -0.201 0.000 0.870 265 N CB 0.024 38.411 38.487 -0.168 0.000 0.979 265 N HN 0.157 nan 8.380 nan 0.000 0.431 266 E N 0.397 120.377 120.200 -0.366 0.000 2.478 266 E HA 0.119 4.469 4.350 -0.000 0.000 0.194 266 E C 0.390 176.782 176.600 -0.347 0.000 1.045 266 E CA -0.162 56.024 56.400 -0.356 0.000 0.868 266 E CB 0.255 29.699 29.700 -0.427 0.000 0.885 266 E HN 0.358 nan 8.360 nan 0.000 0.505 267 L N 2.123 123.070 121.223 -0.461 0.000 2.490 267 L HA 0.045 4.385 4.340 -0.000 0.000 0.274 267 L C 0.801 177.242 176.870 -0.715 0.000 1.201 267 L CA 0.413 54.906 54.840 -0.578 0.000 0.869 267 L CB 0.260 41.872 42.059 -0.746 0.000 1.123 267 L HN 0.036 nan 8.230 nan 0.000 0.484 268 T N -2.605 111.711 114.554 -0.396 0.000 2.841 268 T HA 0.209 4.559 4.350 -0.000 0.000 0.296 268 T C 0.559 175.398 174.700 0.231 0.000 1.166 268 T CA -0.725 61.276 62.100 -0.165 0.000 1.007 268 T CB 1.528 70.362 68.868 -0.056 0.000 1.253 268 T HN 0.561 nan 8.240 nan 0.000 0.511 269 H N 0.592 119.860 119.070 0.330 0.000 2.321 269 H HA -0.032 4.523 4.556 -0.000 0.000 0.300 269 H C 1.370 176.780 175.328 0.136 0.000 1.087 269 H CA 2.520 58.717 56.048 0.249 0.000 1.319 269 H CB -0.354 29.504 29.762 0.160 0.000 1.379 269 H HN 0.694 nan 8.280 nan 0.000 0.501 270 D N -0.017 120.387 120.400 0.007 0.000 2.158 270 D HA -0.153 4.486 4.640 -0.000 0.000 0.197 270 D C 2.412 178.656 176.300 -0.092 0.000 0.995 270 D CA 1.365 55.315 54.000 -0.084 0.000 0.846 270 D CB -0.293 40.491 40.800 -0.028 0.000 0.941 270 D HN 0.478 nan 8.370 nan 0.000 0.456 271 I N 0.711 121.262 120.570 -0.031 0.000 2.113 271 I HA -0.235 3.935 4.170 -0.000 0.000 0.238 271 I C 2.188 178.372 176.117 0.112 0.000 1.070 271 I CA 0.548 61.845 61.300 -0.006 0.000 1.332 271 I CB -0.187 37.847 38.000 0.057 0.000 1.044 271 I HN -0.037 nan 8.210 nan 0.000 0.402 272 I N 0.624 121.327 120.570 0.220 0.000 2.113 272 I HA -0.344 3.826 4.170 -0.000 0.000 0.242 272 I C 2.654 178.855 176.117 0.141 0.000 1.064 272 I CA 1.946 63.433 61.300 0.312 0.000 1.320 272 I CB -2.048 36.122 38.000 0.284 0.000 1.028 272 I HN 0.267 nan 8.210 nan 0.000 0.406 273 T N 1.002 115.497 114.554 -0.098 0.000 2.653 273 T HA -0.255 4.095 4.350 -0.000 0.000 0.268 273 T C 1.993 176.659 174.700 -0.057 0.000 1.035 273 T CA 1.862 63.879 62.100 -0.139 0.000 1.154 273 T CB -0.187 68.507 68.868 -0.290 0.000 0.862 273 T HN 0.327 nan 8.240 nan 0.000 0.441 274 K N -0.387 119.951 120.400 -0.104 0.000 2.097 274 K HA -0.050 4.270 4.320 -0.000 0.000 0.206 274 K C 1.976 178.482 176.600 -0.156 0.000 1.049 274 K CA 1.241 57.423 56.287 -0.175 0.000 0.933 274 K CB -0.243 32.072 32.500 -0.308 0.000 0.717 274 K HN 0.299 nan 8.250 nan 0.000 0.442 275 F N 0.887 120.854 119.950 0.028 0.000 2.206 275 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 275 F C 1.889 177.703 175.800 0.024 0.000 1.090 275 F CA 0.912 58.932 58.000 0.034 0.000 1.323 275 F CB -0.331 38.699 39.000 0.049 0.000 1.028 275 F HN -0.082 nan 8.300 nan 0.000 0.492 276 L N -0.550 120.791 121.223 0.197 0.000 2.201 276 L HA -0.148 4.191 4.340 -0.000 0.000 0.212 276 L C 2.098 179.013 176.870 0.076 0.000 1.105 276 L CA 1.131 56.043 54.840 0.120 0.000 0.775 276 L CB -0.602 41.513 42.059 0.094 0.000 0.913 276 L HN 0.137 nan 8.230 nan 0.000 0.440 277 E N -0.227 120.003 120.200 0.049 0.000 2.208 277 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 277 E C 0.886 177.504 176.600 0.030 0.000 0.988 277 E CA 0.246 56.660 56.400 0.023 0.000 0.828 277 E CB 0.053 29.750 29.700 -0.006 0.000 0.763 277 E HN 0.347 nan 8.360 nan 0.000 0.478 278 N N 1.082 119.812 118.700 0.051 0.000 2.422 278 N HA 0.008 4.748 4.740 -0.000 0.000 0.266 278 N C -0.456 175.095 175.510 0.069 0.000 1.007 278 N CA 0.176 53.259 53.050 0.056 0.000 0.941 278 N CB 1.115 39.640 38.487 0.064 0.000 1.115 278 N HN -0.029 nan 8.380 nan 0.000 0.492 279 E N 1.420 121.647 120.200 0.045 0.000 2.499 279 E HA 0.093 4.442 4.350 -0.000 0.000 0.199 279 E C -0.929 175.689 176.600 0.030 0.000 1.016 279 E CA -0.449 55.972 56.400 0.035 0.000 0.933 279 E CB 0.367 30.077 29.700 0.017 0.000 1.050 279 E HN 0.585 nan 8.360 nan 0.000 0.462 280 D N 1.617 122.043 120.400 0.043 0.000 2.525 280 D HA 0.000 4.640 4.640 -0.000 0.000 0.235 280 D C -0.001 176.328 176.300 0.049 0.000 1.137 280 D CA 0.843 54.869 54.000 0.043 0.000 0.868 280 D CB 0.517 41.351 40.800 0.056 0.000 1.180 280 D HN 0.004 nan 8.370 nan 0.000 0.465 281 R N 1.730 122.248 120.500 0.031 0.000 2.637 281 R HA 0.577 4.917 4.340 -0.000 0.000 0.291 281 R C 0.155 176.482 176.300 0.046 0.000 0.963 281 R CA -0.890 55.227 56.100 0.028 0.000 0.901 281 R CB 2.216 32.500 30.300 -0.026 0.000 1.160 281 R HN 0.493 nan 8.270 nan 0.000 0.457 282 R N -0.226 120.322 120.500 0.079 0.000 2.836 282 R HA 0.415 4.754 4.340 -0.000 0.000 0.269 282 R C -0.892 175.473 176.300 0.109 0.000 1.010 282 R CA -0.774 55.379 56.100 0.090 0.000 0.930 282 R CB 1.666 32.034 30.300 0.114 0.000 1.218 282 R HN 0.429 nan 8.270 nan 0.000 0.473 283 S N 0.091 115.846 115.700 0.090 0.000 2.531 283 S HA 0.524 4.994 4.470 -0.000 0.000 0.279 283 S C -0.675 174.001 174.600 0.125 0.000 1.305 283 S CA 0.285 58.540 58.200 0.091 0.000 1.058 283 S CB 0.139 63.374 63.200 0.059 0.000 0.899 283 S HN 0.741 nan 8.310 nan 0.000 0.493 284 A N 3.635 126.564 122.820 0.182 0.000 2.594 284 A HA 0.595 4.915 4.320 -0.000 0.000 0.296 284 A C -0.588 177.083 177.584 0.144 0.000 1.061 284 A CA -0.629 51.483 52.037 0.124 0.000 0.689 284 A CB 1.433 20.465 19.000 0.053 0.000 1.280 284 A HN 0.698 nan 8.150 nan 0.000 0.406 285 S N 1.149 116.860 115.700 0.019 0.000 2.464 285 S HA 0.484 4.954 4.470 -0.000 0.000 0.313 285 S C -0.536 174.038 174.600 -0.042 0.000 1.078 285 S CA -0.364 57.859 58.200 0.039 0.000 1.096 285 S CB -0.697 62.527 63.200 0.040 0.000 1.032 285 S HN 1.142 nan 8.310 nan 0.000 0.498 286 L N 6.561 127.712 121.223 -0.119 0.000 2.292 286 L HA 0.518 4.858 4.340 -0.000 0.000 0.284 286 L C -0.557 176.371 176.870 0.097 0.000 1.065 286 L CA 0.055 54.750 54.840 -0.242 0.000 0.806 286 L CB 0.786 42.362 42.059 -0.806 0.000 1.175 286 L HN 0.647 nan 8.230 nan 0.000 0.431 287 H N 5.807 124.770 119.070 -0.179 0.000 2.511 287 H HA 0.547 5.103 4.556 -0.000 0.000 0.328 287 H C -1.276 173.942 175.328 -0.182 0.000 1.044 287 H CA -0.931 55.032 56.048 -0.142 0.000 1.212 287 H CB 2.040 31.750 29.762 -0.086 0.000 1.428 287 H HN 0.466 nan 8.280 nan 0.000 0.483 288 L N 6.404 127.491 121.223 -0.226 0.000 2.438 288 L HA 0.373 4.712 4.340 -0.000 0.000 0.270 288 L C -2.659 174.040 176.870 -0.285 0.000 0.972 288 L CA -2.069 52.547 54.840 -0.374 0.000 0.831 288 L CB 2.066 43.722 42.059 -0.671 0.000 1.273 288 L HN 0.398 nan 8.230 nan 0.000 0.405 289 P HA 0.076 nan 4.420 nan 0.000 0.271 289 P C -1.135 176.111 177.300 -0.091 0.000 1.216 289 P CA -0.289 62.801 63.100 -0.016 0.000 0.776 289 P CB 0.659 32.453 31.700 0.158 0.000 0.881 290 K N 3.800 124.132 120.400 -0.114 0.000 2.412 290 K HA 0.317 4.637 4.320 -0.000 0.000 0.281 290 K C -0.041 176.524 176.600 -0.059 0.000 1.027 290 K CA -0.225 56.005 56.287 -0.095 0.000 0.989 290 K CB -0.000 32.444 32.500 -0.092 0.000 0.935 290 K HN 0.562 nan 8.250 nan 0.000 0.475 291 L N -0.193 120.998 121.223 -0.054 0.000 2.720 291 L HA 0.537 4.877 4.340 -0.000 0.000 0.261 291 L C -1.684 175.128 176.870 -0.097 0.000 1.046 291 L CA -0.724 54.077 54.840 -0.066 0.000 0.886 291 L CB 2.081 44.111 42.059 -0.047 0.000 1.493 291 L HN 0.582 nan 8.230 nan 0.000 0.407 292 S N 2.066 117.707 115.700 -0.098 0.000 2.779 292 S HA 0.741 5.210 4.470 -0.000 0.000 0.293 292 S C -0.873 173.666 174.600 -0.101 0.000 1.150 292 S CA -0.589 57.547 58.200 -0.107 0.000 1.057 292 S CB 0.603 63.764 63.200 -0.065 0.000 1.021 292 S HN 0.674 nan 8.310 nan 0.000 0.485 293 I N 2.024 122.502 120.570 -0.152 0.000 2.730 293 I HA 0.833 5.003 4.170 -0.000 0.000 0.298 293 I C -0.580 175.504 176.117 -0.055 0.000 1.089 293 I CA -0.837 60.406 61.300 -0.094 0.000 1.041 293 I CB 2.503 40.468 38.000 -0.058 0.000 1.235 293 I HN 0.496 nan 8.210 nan 0.000 0.423 294 T N 0.626 115.214 114.554 0.057 0.000 2.886 294 T HA 0.767 5.117 4.350 -0.000 0.000 0.292 294 T C -0.254 174.542 174.700 0.159 0.000 1.012 294 T CA -0.724 61.458 62.100 0.137 0.000 0.982 294 T CB 1.645 70.561 68.868 0.079 0.000 1.018 294 T HN 1.052 nan 8.240 nan 0.000 0.451 295 G N 1.411 110.353 108.800 0.237 0.000 2.487 295 G HA2 0.568 4.528 3.960 -0.000 0.000 0.314 295 G HA3 0.568 4.528 3.960 -0.000 0.000 0.314 295 G C -0.665 174.079 174.900 -0.260 0.000 1.267 295 G CA -0.752 44.365 45.100 0.030 0.000 0.937 295 G HN 0.815 nan 8.290 nan 0.000 0.481 296 T N 2.119 116.333 114.554 -0.565 0.000 2.770 296 T HA 0.511 4.861 4.350 -0.000 0.000 0.283 296 T C -1.210 173.097 174.700 -0.655 0.000 0.988 296 T CA -0.098 61.757 62.100 -0.409 0.000 0.957 296 T CB 0.647 69.401 68.868 -0.190 0.000 0.930 296 T HN 0.392 nan 8.240 nan 0.000 0.443 297 Y N 0.976 121.350 120.300 0.122 0.000 2.442 297 Y HA 0.412 4.962 4.550 -0.000 0.000 0.344 297 Y C -0.027 175.926 175.900 0.088 0.000 0.976 297 Y CA -1.618 56.540 58.100 0.097 0.000 1.040 297 Y CB 1.346 39.871 38.460 0.108 0.000 1.228 297 Y HN 0.490 nan 8.280 nan 0.000 0.451 298 D N 3.236 123.745 120.400 0.181 0.000 2.365 298 D HA 0.177 4.817 4.640 -0.000 0.000 0.237 298 D C 0.449 176.775 176.300 0.045 0.000 1.190 298 D CA 0.171 54.224 54.000 0.088 0.000 0.867 298 D CB 0.910 41.722 40.800 0.019 0.000 1.050 298 D HN 0.681 nan 8.370 nan 0.000 0.491 299 L N 3.577 124.842 121.223 0.071 0.000 2.291 299 L HA -0.044 4.296 4.340 -0.000 0.000 0.214 299 L C 2.406 179.156 176.870 -0.200 0.000 1.120 299 L CA 0.474 55.322 54.840 0.013 0.000 0.799 299 L CB -0.176 41.988 42.059 0.176 0.000 0.925 299 L HN 0.411 nan 8.230 nan 0.000 0.446 300 K N 0.061 120.212 120.400 -0.415 0.000 2.032 300 K HA -0.227 4.093 4.320 -0.000 0.000 0.209 300 K C 2.406 178.659 176.600 -0.578 0.000 1.048 300 K CA 1.888 57.533 56.287 -1.071 0.000 0.927 300 K CB -0.063 31.943 32.500 -0.823 0.000 0.712 300 K HN 0.120 nan 8.250 nan 0.000 0.441 301 S N -0.207 115.313 115.700 -0.299 0.000 2.338 301 S HA -0.094 4.375 4.470 -0.000 0.000 0.218 301 S C 1.981 176.490 174.600 -0.152 0.000 1.032 301 S CA 1.315 59.406 58.200 -0.181 0.000 0.999 301 S CB -0.284 62.854 63.200 -0.104 0.000 0.905 301 S HN 0.219 nan 8.310 nan 0.000 0.439 302 V N 2.289 122.123 119.914 -0.134 0.000 2.261 302 V HA -0.115 4.005 4.120 -0.000 0.000 0.246 302 V C 2.412 178.415 176.094 -0.151 0.000 1.047 302 V CA 1.909 64.124 62.300 -0.141 0.000 1.015 302 V CB -0.688 31.040 31.823 -0.159 0.000 0.642 302 V HN 0.496 nan 8.190 nan 0.000 0.446 303 L N 0.216 121.346 121.223 -0.155 0.000 2.291 303 L HA -0.002 4.338 4.340 -0.000 0.000 0.214 303 L C 2.568 179.411 176.870 -0.045 0.000 1.120 303 L CA 1.158 55.933 54.840 -0.109 0.000 0.799 303 L CB -1.103 40.858 42.059 -0.165 0.000 0.925 303 L HN 0.480 nan 8.230 nan 0.000 0.446 304 G N -0.491 108.257 108.800 -0.087 0.000 2.440 304 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 304 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 304 G C 1.498 176.380 174.900 -0.029 0.000 1.154 304 G CA 0.246 45.319 45.100 -0.045 0.000 0.767 304 G HN 0.269 nan 8.290 nan 0.000 0.552 305 Q N -0.035 119.733 119.800 -0.053 0.000 2.226 305 Q HA 0.091 4.431 4.340 -0.000 0.000 0.204 305 Q C 2.419 178.401 176.000 -0.028 0.000 0.975 305 Q CA 0.605 56.384 55.803 -0.039 0.000 0.866 305 Q CB -0.213 28.495 28.738 -0.050 0.000 0.915 305 Q HN 0.504 nan 8.270 nan 0.000 0.440 306 L N -0.954 120.253 121.223 -0.028 0.000 2.611 306 L HA 0.173 4.513 4.340 -0.000 0.000 0.229 306 L C 0.909 177.789 176.870 0.017 0.000 1.137 306 L CA 0.465 55.302 54.840 -0.005 0.000 0.901 306 L CB 0.049 42.114 42.059 0.010 0.000 1.098 306 L HN 0.331 nan 8.230 nan 0.000 0.456 307 G N 0.676 109.487 108.800 0.019 0.000 2.168 307 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.197 307 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.197 307 G C 0.112 175.041 174.900 0.049 0.000 0.997 307 G CA -0.555 44.563 45.100 0.030 0.000 0.658 307 G HN 0.240 nan 8.290 nan 0.000 0.513 308 I N 2.730 123.342 120.570 0.070 0.000 2.361 308 I HA 0.377 4.546 4.170 -0.000 0.000 0.282 308 I C 1.403 177.673 176.117 0.255 0.000 1.075 308 I CA 0.267 61.641 61.300 0.123 0.000 1.205 308 I CB 1.045 39.102 38.000 0.096 0.000 1.406 308 I HN 0.243 nan 8.210 nan 0.000 0.481 309 T N 0.034 114.708 114.554 0.200 0.000 3.028 309 T HA 0.100 4.450 4.350 -0.000 0.000 0.250 309 T C 1.645 176.470 174.700 0.209 0.000 0.979 309 T CA -0.158 62.088 62.100 0.244 0.000 1.004 309 T CB 0.137 69.079 68.868 0.124 0.000 1.120 309 T HN 0.317 nan 8.240 nan 0.000 0.482 310 K N 0.832 121.295 120.400 0.105 0.000 2.032 310 K HA -0.008 4.312 4.320 -0.000 0.000 0.209 310 K C 2.148 178.759 176.600 0.019 0.000 1.048 310 K CA 1.432 57.753 56.287 0.057 0.000 0.927 310 K CB -0.582 31.937 32.500 0.033 0.000 0.712 310 K HN 0.198 nan 8.250 nan 0.000 0.441 311 V N 0.740 120.612 119.914 -0.070 0.000 2.867 311 V HA -0.177 3.943 4.120 -0.000 0.000 0.260 311 V C 0.991 176.927 176.094 -0.263 0.000 1.099 311 V CA 1.515 63.695 62.300 -0.200 0.000 1.122 311 V CB -0.382 31.252 31.823 -0.316 0.000 0.708 311 V HN 0.243 nan 8.190 nan 0.000 0.490 312 F N 0.093 120.072 119.950 0.048 0.000 2.727 312 F HA 0.301 4.828 4.527 -0.000 0.000 0.302 312 F C 1.314 177.127 175.800 0.022 0.000 1.097 312 F CA 0.372 58.391 58.000 0.032 0.000 1.330 312 F CB -0.097 38.922 39.000 0.031 0.000 1.084 312 F HN 0.274 nan 8.300 nan 0.000 0.578 313 S N -1.259 114.538 115.700 0.162 0.000 2.726 313 S HA 0.327 4.796 4.470 -0.000 0.000 0.308 313 S C 0.783 175.422 174.600 0.064 0.000 1.115 313 S CA -0.752 57.511 58.200 0.105 0.000 0.965 313 S CB 1.123 64.377 63.200 0.091 0.000 1.145 313 S HN -0.023 nan 8.310 nan 0.000 0.532 314 N N 0.844 119.573 118.700 0.048 0.000 2.348 314 N HA 0.009 4.749 4.740 -0.000 0.000 0.185 314 N C 1.583 177.107 175.510 0.023 0.000 1.019 314 N CA 1.432 54.502 53.050 0.033 0.000 0.880 314 N CB -0.758 37.745 38.487 0.026 0.000 0.965 314 N HN 0.859 nan 8.380 nan 0.000 0.437 315 G N -0.519 108.296 108.800 0.024 0.000 2.920 315 G HA2 0.202 4.161 3.960 -0.000 0.000 0.208 315 G HA3 0.202 4.161 3.960 -0.000 0.000 0.208 315 G C 0.335 175.240 174.900 0.009 0.000 1.159 315 G CA 0.210 45.319 45.100 0.015 0.000 0.784 315 G HN 0.409 nan 8.290 nan 0.000 0.535 316 A N 0.822 123.647 122.820 0.009 0.000 2.566 316 A HA 0.230 4.550 4.320 -0.000 0.000 0.245 316 A C 0.096 177.669 177.584 -0.019 0.000 1.056 316 A CA 0.060 52.093 52.037 -0.006 0.000 0.757 316 A CB 0.214 19.209 19.000 -0.009 0.000 0.979 316 A HN 0.152 nan 8.150 nan 0.000 0.508 317 D N 3.038 123.422 120.400 -0.025 0.000 2.494 317 D HA 0.282 4.922 4.640 -0.000 0.000 0.217 317 D C 0.019 176.279 176.300 -0.066 0.000 1.153 317 D CA 0.104 54.081 54.000 -0.038 0.000 0.954 317 D CB 0.178 40.962 40.800 -0.026 0.000 1.034 317 D HN 0.491 nan 8.370 nan 0.000 0.518 318 L N 2.510 123.680 121.223 -0.090 0.000 2.928 318 L HA 0.029 4.369 4.340 -0.000 0.000 0.246 318 L C 2.039 178.789 176.870 -0.199 0.000 1.239 318 L CA -0.105 54.642 54.840 -0.156 0.000 1.035 318 L CB 0.161 42.132 42.059 -0.146 0.000 1.360 318 L HN 0.241 nan 8.230 nan 0.000 0.529 319 S N -1.544 114.070 115.700 -0.143 0.000 2.469 319 S HA -0.101 4.369 4.470 -0.000 0.000 0.238 319 S C 1.924 176.431 174.600 -0.154 0.000 0.998 319 S CA 0.897 59.020 58.200 -0.129 0.000 0.957 319 S CB -0.312 62.837 63.200 -0.086 0.000 0.764 319 S HN 0.474 nan 8.310 nan 0.000 0.514 320 G N 0.847 109.528 108.800 -0.198 0.000 2.484 320 G HA2 0.052 4.012 3.960 -0.000 0.000 0.218 320 G HA3 0.052 4.012 3.960 -0.000 0.000 0.218 320 G C 1.240 175.912 174.900 -0.379 0.000 1.130 320 G CA 0.757 45.725 45.100 -0.220 0.000 0.784 320 G HN 0.500 nan 8.290 nan 0.000 0.543 321 V N -0.526 119.052 119.914 -0.559 0.000 2.426 321 V HA 0.179 4.299 4.120 -0.000 0.000 0.242 321 V C 1.210 177.123 176.094 -0.302 0.000 1.036 321 V CA 1.651 63.554 62.300 -0.661 0.000 1.044 321 V CB 0.373 31.688 31.823 -0.846 0.000 0.688 321 V HN 0.309 nan 8.190 nan 0.000 0.462 322 T N -1.376 113.032 114.554 -0.244 0.000 2.971 322 T HA 0.333 4.683 4.350 -0.000 0.000 0.304 322 T C 0.341 174.972 174.700 -0.115 0.000 1.038 322 T CA -0.443 61.568 62.100 -0.149 0.000 1.007 322 T CB 2.239 71.027 68.868 -0.132 0.000 1.055 322 T HN 0.299 nan 8.240 nan 0.000 0.451 323 E N 1.930 122.081 120.200 -0.082 0.000 2.072 323 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 323 E C 1.582 178.150 176.600 -0.054 0.000 0.982 323 E CA 0.991 57.352 56.400 -0.065 0.000 0.803 323 E CB 0.329 29.999 29.700 -0.050 0.000 0.755 323 E HN 0.592 nan 8.360 nan 0.000 0.453 324 E N 0.270 120.442 120.200 -0.047 0.000 2.110 324 E HA 0.126 4.476 4.350 -0.000 0.000 0.193 324 E C 0.537 177.117 176.600 -0.034 0.000 0.950 324 E CA 0.281 56.660 56.400 -0.035 0.000 0.840 324 E CB -0.066 29.617 29.700 -0.027 0.000 0.809 324 E HN 0.081 nan 8.360 nan 0.000 0.465 325 A N 3.730 126.529 122.820 -0.036 0.000 2.354 325 A HA 0.349 4.669 4.320 -0.000 0.000 0.269 325 A C -2.118 175.446 177.584 -0.032 0.000 1.109 325 A CA -1.183 50.837 52.037 -0.028 0.000 0.800 325 A CB -0.329 18.658 19.000 -0.023 0.000 1.045 325 A HN -0.063 nan 8.150 nan 0.000 0.489 326 P HA 0.276 nan 4.420 nan 0.000 0.265 326 P C -1.003 176.288 177.300 -0.014 0.000 1.193 326 P CA 0.197 63.287 63.100 -0.016 0.000 0.765 326 P CB 0.602 32.300 31.700 -0.004 0.000 0.823 327 L N 3.007 124.221 121.223 -0.014 0.000 2.482 327 L HA 0.593 4.933 4.340 -0.000 0.000 0.263 327 L C -0.886 176.008 176.870 0.041 0.000 0.957 327 L CA -0.482 54.359 54.840 0.001 0.000 0.836 327 L CB 2.084 44.107 42.059 -0.061 0.000 1.324 327 L HN 0.515 nan 8.230 nan 0.000 0.406 328 K N 3.321 123.779 120.400 0.098 0.000 2.508 328 K HA 0.626 4.945 4.320 -0.000 0.000 0.260 328 K C -1.486 175.234 176.600 0.200 0.000 0.949 328 K CA -1.018 55.342 56.287 0.121 0.000 0.834 328 K CB 1.955 34.502 32.500 0.080 0.000 1.365 328 K HN 0.444 nan 8.250 nan 0.000 0.437 329 L N 2.881 124.166 121.223 0.104 0.000 2.485 329 L HA 0.152 4.492 4.340 -0.000 0.000 0.279 329 L C 0.450 177.372 176.870 0.086 0.000 1.124 329 L CA 0.716 55.493 54.840 -0.105 0.000 0.888 329 L CB 0.408 42.216 42.059 -0.418 0.000 1.217 329 L HN 0.860 nan 8.230 nan 0.000 0.464 330 S N 3.316 119.033 115.700 0.029 0.000 2.371 330 S HA 0.018 4.488 4.470 -0.000 0.000 0.224 330 S C 0.609 175.239 174.600 0.050 0.000 1.029 330 S CA 0.880 59.099 58.200 0.031 0.000 0.978 330 S CB -0.025 63.132 63.200 -0.071 0.000 0.833 330 S HN 0.603 nan 8.310 nan 0.000 0.466 331 K N 0.222 120.642 120.400 0.033 0.000 2.513 331 K HA 0.617 4.937 4.320 -0.000 0.000 0.251 331 K C -2.111 174.554 176.600 0.109 0.000 0.939 331 K CA -0.427 55.893 56.287 0.055 0.000 0.793 331 K CB 1.953 34.469 32.500 0.027 0.000 1.241 331 K HN 0.139 nan 8.250 nan 0.000 0.431 332 A N 3.179 126.103 122.820 0.173 0.000 2.402 332 A HA 0.613 4.933 4.320 -0.000 0.000 0.291 332 A C -1.483 176.247 177.584 0.243 0.000 1.051 332 A CA -0.612 51.584 52.037 0.264 0.000 0.716 332 A CB 1.365 20.681 19.000 0.527 0.000 1.223 332 A HN 0.320 nan 8.150 nan 0.000 0.425 333 V N 2.269 122.344 119.914 0.267 0.000 2.604 333 V HA 0.524 4.644 4.120 -0.000 0.000 0.305 333 V C -0.694 175.621 176.094 0.367 0.000 1.043 333 V CA -0.558 61.902 62.300 0.267 0.000 0.888 333 V CB 1.861 33.811 31.823 0.211 0.000 0.995 333 V HN 0.998 nan 8.190 nan 0.000 0.429 334 H N 3.141 122.372 119.070 0.269 0.000 2.547 334 H HA 0.698 5.254 4.556 -0.000 0.000 0.342 334 H C -0.738 174.769 175.328 0.298 0.000 1.048 334 H CA -0.678 55.557 56.048 0.312 0.000 1.204 334 H CB 1.562 31.531 29.762 0.345 0.000 1.493 334 H HN 0.625 nan 8.280 nan 0.000 0.511 335 K N 3.693 123.987 120.400 -0.177 0.000 2.463 335 K HA 0.752 5.071 4.320 -0.000 0.000 0.255 335 K C -1.748 174.747 176.600 -0.174 0.000 0.942 335 K CA -0.600 55.617 56.287 -0.117 0.000 0.814 335 K CB 1.215 33.753 32.500 0.064 0.000 1.122 335 K HN 0.639 nan 8.250 nan 0.000 0.425 336 A N 3.475 126.268 122.820 -0.044 0.000 2.343 336 A HA 0.688 5.008 4.320 -0.000 0.000 0.316 336 A C -1.242 176.614 177.584 0.454 0.000 1.104 336 A CA -0.699 51.472 52.037 0.224 0.000 0.768 336 A CB 1.251 20.364 19.000 0.189 0.000 1.213 336 A HN 0.438 nan 8.150 nan 0.000 0.456 337 V N 2.884 123.063 119.914 0.441 0.000 2.540 337 V HA 0.645 4.765 4.120 -0.000 0.000 0.302 337 V C -0.742 175.345 176.094 -0.012 0.000 1.035 337 V CA -0.527 61.932 62.300 0.266 0.000 0.873 337 V CB 1.374 33.432 31.823 0.392 0.000 0.992 337 V HN 0.866 nan 8.190 nan 0.000 0.428 338 L N 4.152 125.152 121.223 -0.371 0.000 2.410 338 L HA 0.825 5.165 4.340 -0.000 0.000 0.270 338 L C -0.257 176.340 176.870 -0.454 0.000 0.983 338 L CA 0.338 54.797 54.840 -0.635 0.000 0.822 338 L CB 2.542 43.838 42.059 -1.272 0.000 1.285 338 L HN 0.708 nan 8.230 nan 0.000 0.409 339 T N 6.070 120.341 114.554 -0.471 0.000 2.779 339 T HA 0.609 4.959 4.350 -0.000 0.000 0.280 339 T C -0.305 174.204 174.700 -0.319 0.000 0.987 339 T CA -0.262 61.641 62.100 -0.328 0.000 0.966 339 T CB 0.971 69.672 68.868 -0.278 0.000 0.933 339 T HN 0.379 nan 8.240 nan 0.000 0.442 340 I N 4.710 125.174 120.570 -0.178 0.000 2.339 340 I HA 0.462 4.632 4.170 -0.000 0.000 0.290 340 I C -0.381 175.729 176.117 -0.011 0.000 0.994 340 I CA -0.678 60.594 61.300 -0.047 0.000 1.191 340 I CB 1.411 39.459 38.000 0.079 0.000 1.343 340 I HN 0.746 nan 8.210 nan 0.000 0.458 341 D N 3.789 124.213 120.400 0.041 0.000 2.798 341 D HA 0.239 4.878 4.640 -0.000 0.000 0.308 341 D C 0.411 176.875 176.300 0.273 0.000 1.187 341 D CA -0.505 53.538 54.000 0.072 0.000 1.033 341 D CB 0.760 41.561 40.800 0.002 0.000 1.445 341 D HN 0.219 nan 8.370 nan 0.000 0.550 342 E N -0.324 120.008 120.200 0.220 0.000 2.058 342 E HA -0.026 4.324 4.350 -0.000 0.000 0.194 342 E C 0.132 177.048 176.600 0.528 0.000 0.997 342 E CA 1.426 58.065 56.400 0.397 0.000 0.801 342 E CB 0.035 29.873 29.700 0.230 0.000 0.746 342 E HN 0.363 nan 8.360 nan 0.000 0.450 343 K N -1.488 119.081 120.400 0.281 0.000 2.582 343 K HA 0.223 4.542 4.320 -0.000 0.000 0.259 343 K C -0.568 176.059 176.600 0.045 0.000 0.973 343 K CA -0.005 56.395 56.287 0.189 0.000 0.880 343 K CB 1.436 34.069 32.500 0.222 0.000 1.310 343 K HN 0.155 nan 8.250 nan 0.000 0.443 344 G N 2.138 110.898 108.800 -0.066 0.000 3.352 344 G HA2 0.079 4.039 3.960 -0.000 0.000 0.236 344 G HA3 0.079 4.039 3.960 -0.000 0.000 0.236 344 G C -0.233 174.632 174.900 -0.058 0.000 1.324 344 G CA 0.610 45.647 45.100 -0.106 0.000 1.404 344 G HN 0.401 nan 8.290 nan 0.000 0.542 345 T N -1.212 113.337 114.554 -0.008 0.000 2.889 345 T HA 0.280 4.629 4.350 -0.000 0.000 0.315 345 T C -0.011 174.703 174.700 0.025 0.000 1.291 345 T CA -0.486 61.619 62.100 0.009 0.000 1.028 345 T CB 2.262 71.139 68.868 0.015 0.000 1.235 345 T HN 0.060 nan 8.240 nan 0.000 0.491 346 E N 0.828 121.041 120.200 0.022 0.000 2.474 346 E HA 0.478 4.828 4.350 -0.000 0.000 0.195 346 E C 0.096 176.711 176.600 0.025 0.000 1.039 346 E CA -0.014 56.400 56.400 0.023 0.000 0.881 346 E CB 0.448 30.158 29.700 0.017 0.000 0.970 346 E HN 0.663 nan 8.360 nan 0.000 0.486 347 A N -0.005 122.832 122.820 0.028 0.000 2.331 347 A HA 0.822 5.142 4.320 -0.000 0.000 0.320 347 A C 0.012 177.618 177.584 0.036 0.000 1.138 347 A CA -0.183 51.871 52.037 0.028 0.000 0.790 347 A CB 1.256 20.271 19.000 0.024 0.000 1.206 347 A HN 0.201 nan 8.150 nan 0.000 0.470 348 A N 1.327 124.168 122.820 0.035 0.000 3.696 348 A HA 0.917 5.237 4.320 -0.000 0.000 0.156 348 A C 1.173 178.782 177.584 0.041 0.000 1.732 348 A CA 0.322 52.386 52.037 0.043 0.000 1.004 348 A CB -0.135 18.887 19.000 0.037 0.000 1.799 348 A HN 2.435 nan 8.150 nan 0.000 0.665 349 G N -2.821 106.003 108.800 0.040 0.000 3.134 349 G HA2 0.371 4.330 3.960 -0.000 0.000 0.195 349 G HA3 0.371 4.330 3.960 -0.000 0.000 0.195 349 G C 0.470 175.399 174.900 0.048 0.000 1.054 349 G CA 0.328 45.450 45.100 0.038 0.000 0.828 349 G HN 1.822 nan 8.290 nan 0.000 0.462 350 A N 1.039 123.903 122.820 0.073 0.000 2.362 350 A HA 0.813 5.133 4.320 -0.000 0.000 0.276 350 A C -0.096 177.551 177.584 0.105 0.000 1.153 350 A CA 0.456 52.559 52.037 0.109 0.000 0.813 350 A CB 0.453 19.544 19.000 0.153 0.000 1.081 350 A HN 0.572 nan 8.150 nan 0.000 0.507 351 M N 3.330 122.985 119.600 0.092 0.000 2.263 351 M HA 0.628 5.108 4.480 -0.000 0.000 0.295 351 M C -1.136 175.212 176.300 0.080 0.000 1.028 351 M CA -0.415 54.885 55.300 0.000 0.000 0.921 351 M CB 1.320 33.901 32.600 -0.032 0.000 1.601 351 M HN 0.824 nan 8.290 nan 0.000 0.440 352 F N 2.519 122.456 119.950 -0.022 0.000 2.922 352 F HA 0.928 5.455 4.527 -0.000 0.000 0.345 352 F C -2.018 173.757 175.800 -0.041 0.000 1.209 352 F CA -1.226 56.756 58.000 -0.031 0.000 1.018 352 F CB 1.397 40.374 39.000 -0.039 0.000 1.472 352 F HN 0.413 nan 8.300 nan 0.000 0.521 353 L N 1.035 122.411 121.223 0.255 0.000 2.830 353 L HA 0.283 4.623 4.340 -0.000 0.000 0.259 353 L C -1.684 175.270 176.870 0.140 0.000 0.943 353 L CA -0.289 54.598 54.840 0.078 0.000 0.997 353 L CB 1.889 43.954 42.059 0.010 0.000 1.427 353 L HN 0.766 nan 8.230 nan 0.000 0.456 354 E N 3.029 123.297 120.200 0.114 0.000 2.197 354 E HA 0.571 4.921 4.350 -0.000 0.000 0.281 354 E C -0.257 176.342 176.600 -0.003 0.000 0.995 354 E CA -0.586 55.839 56.400 0.041 0.000 0.808 354 E CB 1.994 31.693 29.700 -0.003 0.000 1.093 354 E HN 0.567 nan 8.360 nan 0.000 0.394 355 A N 3.921 126.735 122.820 -0.010 0.000 2.354 355 A HA 0.321 4.641 4.320 -0.000 0.000 0.281 355 A C -0.343 177.231 177.584 -0.017 0.000 1.174 355 A CA -0.390 51.641 52.037 -0.012 0.000 0.828 355 A CB -0.122 18.873 19.000 -0.007 0.000 1.099 355 A HN 0.512 nan 8.150 nan 0.000 0.516 356 I N 4.337 124.899 120.570 -0.013 0.000 2.353 356 I HA 0.356 4.525 4.170 -0.000 0.000 0.293 356 I C -1.678 174.439 176.117 -0.000 0.000 0.992 356 I CA -1.407 59.888 61.300 -0.007 0.000 1.268 356 I CB 1.189 39.187 38.000 -0.003 0.000 1.387 356 I HN 0.519 nan 8.210 nan 0.000 0.478 357 P HA 0.233 nan 4.420 nan 0.000 0.274 357 P C 0.781 178.086 177.300 0.009 0.000 1.246 357 P CA -0.644 62.461 63.100 0.008 0.000 0.795 357 P CB 0.603 32.310 31.700 0.012 0.000 1.006 358 M N 0.236 119.841 119.600 0.008 0.000 2.159 358 M HA -0.088 4.392 4.480 -0.000 0.000 0.263 358 M C 0.604 176.911 176.300 0.011 0.000 1.063 358 M CA 1.132 56.437 55.300 0.008 0.000 1.110 358 M CB -0.255 32.349 32.600 0.007 0.000 1.374 358 M HN 0.557 nan 8.290 nan 0.000 0.411 359 S N 0.866 116.574 115.700 0.013 0.000 2.569 359 S HA 0.074 4.544 4.470 -0.000 0.000 0.274 359 S C 0.251 174.862 174.600 0.018 0.000 1.353 359 S CA -0.610 57.599 58.200 0.016 0.000 1.023 359 S CB 0.438 63.649 63.200 0.019 0.000 0.876 359 S HN 0.282 nan 8.310 nan 0.000 0.540 360 I N 3.000 123.581 120.570 0.017 0.000 2.496 360 I HA 0.276 4.446 4.170 -0.000 0.000 0.285 360 I C -1.943 174.187 176.117 0.021 0.000 1.080 360 I CA -1.824 59.486 61.300 0.017 0.000 1.404 360 I CB 0.606 38.614 38.000 0.012 0.000 1.403 360 I HN 0.615 nan 8.210 nan 0.000 0.539 361 P HA 0.377 nan 4.420 nan 0.000 0.288 361 P C -2.520 174.783 177.300 0.005 0.000 1.267 361 P CA -1.453 61.662 63.100 0.026 0.000 0.815 361 P CB -0.049 31.673 31.700 0.038 0.000 0.989 362 P HA 0.054 nan 4.420 nan 0.000 0.265 362 P C -0.342 176.890 177.300 -0.113 0.000 1.187 362 P CA 0.239 63.313 63.100 -0.043 0.000 0.766 362 P CB 0.578 32.261 31.700 -0.028 0.000 0.820 363 E N 1.468 121.577 120.200 -0.153 0.000 2.167 363 E HA 0.325 4.674 4.350 -0.000 0.000 0.284 363 E C -1.096 175.277 176.600 -0.378 0.000 1.016 363 E CA -0.579 55.676 56.400 -0.240 0.000 0.817 363 E CB 0.508 30.070 29.700 -0.229 0.000 1.080 363 E HN 0.095 nan 8.360 nan 0.000 0.397 364 V N 5.925 125.555 119.914 -0.473 0.000 2.349 364 V HA 0.294 4.413 4.120 -0.000 0.000 0.284 364 V C -0.493 175.325 176.094 -0.460 0.000 1.014 364 V CA -0.844 61.060 62.300 -0.659 0.000 0.826 364 V CB 1.314 32.533 31.823 -1.007 0.000 1.009 364 V HN 0.616 nan 8.190 nan 0.000 0.431 365 K N 4.355 124.491 120.400 -0.440 0.000 2.213 365 K HA 0.522 4.841 4.320 -0.000 0.000 0.270 365 K C -0.868 175.597 176.600 -0.225 0.000 1.002 365 K CA -0.455 55.673 56.287 -0.265 0.000 0.868 365 K CB 1.458 33.784 32.500 -0.289 0.000 1.093 365 K HN 0.452 nan 8.250 nan 0.000 0.454 366 F N 3.684 123.505 119.950 -0.215 0.000 2.606 366 F HA 0.081 4.608 4.527 -0.001 0.000 0.347 366 F C 0.814 176.630 175.800 0.027 0.000 1.207 366 F CA -0.538 57.346 58.000 -0.194 0.000 1.306 366 F CB -0.212 38.477 39.000 -0.518 0.000 1.657 366 F HN 0.495 nan 8.300 nan 0.000 0.606 367 N N 0.954 119.650 118.700 -0.008 0.000 2.351 367 N HA 0.108 4.847 4.740 -0.000 0.000 0.254 367 N C -0.528 174.574 175.510 -0.681 0.000 1.241 367 N CA -0.371 52.584 53.050 -0.159 0.000 0.883 367 N CB 0.203 38.704 38.487 0.023 0.000 1.202 367 N HN 0.477 nan 8.380 nan 0.000 0.512 368 K N -1.793 118.242 120.400 -0.609 0.000 2.499 368 K HA 0.613 4.933 4.320 -0.000 0.000 0.277 368 K C -3.330 173.259 176.600 -0.019 0.000 1.025 368 K CA -1.954 53.993 56.287 -0.567 0.000 0.900 368 K CB 0.659 33.045 32.500 -0.190 0.000 1.494 368 K HN -0.302 nan 8.250 nan 0.000 0.442 369 P HA -0.029 nan 4.420 nan 0.000 0.263 369 P C -1.221 176.329 177.300 0.416 0.000 1.175 369 P CA 0.339 63.639 63.100 0.332 0.000 0.761 369 P CB -0.019 31.827 31.700 0.244 0.000 0.794 370 F N 0.890 121.097 119.950 0.429 0.000 2.645 370 F HA 0.737 5.264 4.527 -0.000 0.000 0.310 370 F C -1.551 174.567 175.800 0.531 0.000 1.102 370 F CA -1.452 56.830 58.000 0.469 0.000 0.952 370 F CB 0.720 40.068 39.000 0.580 0.000 1.326 370 F HN -0.023 nan 8.300 nan 0.000 0.456 371 V N 2.388 122.772 119.914 0.782 0.000 2.667 371 V HA 0.747 4.866 4.120 -0.000 0.000 0.308 371 V C -0.680 175.898 176.094 0.807 0.000 1.048 371 V CA -0.752 61.885 62.300 0.561 0.000 0.928 371 V CB 1.611 33.590 31.823 0.260 0.000 1.004 371 V HN 0.878 nan 8.190 nan 0.000 0.444 372 F N 2.615 122.835 119.950 0.451 0.000 2.662 372 F HA 0.940 5.467 4.527 -0.000 0.000 0.312 372 F C -1.744 174.178 175.800 0.203 0.000 1.113 372 F CA -1.276 56.915 58.000 0.318 0.000 0.951 372 F CB 1.539 40.666 39.000 0.212 0.000 1.344 372 F HN 0.277 nan 8.300 nan 0.000 0.462 373 L N 2.097 123.537 121.223 0.361 0.000 2.434 373 L HA 0.647 4.986 4.340 -0.000 0.000 0.260 373 L C -1.133 175.913 176.870 0.294 0.000 0.983 373 L CA -0.701 54.292 54.840 0.255 0.000 0.820 373 L CB 2.291 44.460 42.059 0.184 0.000 1.361 373 L HN 0.699 nan 8.230 nan 0.000 0.410 374 M N 3.663 123.449 119.600 0.310 0.000 2.167 374 M HA 0.548 5.028 4.480 -0.000 0.000 0.333 374 M C -1.043 175.318 176.300 0.101 0.000 1.030 374 M CA -0.109 55.357 55.300 0.276 0.000 0.963 374 M CB 1.436 34.295 32.600 0.431 0.000 1.589 374 M HN 0.167 nan 8.290 nan 0.000 0.431 375 I N 2.305 122.937 120.570 0.103 0.000 2.378 375 I HA 0.346 4.516 4.170 -0.000 0.000 0.291 375 I C 0.331 176.474 176.117 0.042 0.000 0.992 375 I CA -0.643 60.692 61.300 0.058 0.000 1.154 375 I CB 1.386 39.446 38.000 0.100 0.000 1.315 375 I HN 0.600 nan 8.210 nan 0.000 0.448 376 E N 5.120 125.314 120.200 -0.010 0.000 2.360 376 E HA 0.066 4.416 4.350 -0.000 0.000 0.269 376 E C 0.521 177.138 176.600 0.029 0.000 1.022 376 E CA 0.149 56.546 56.400 -0.005 0.000 0.887 376 E CB 1.183 30.856 29.700 -0.044 0.000 0.990 376 E HN 0.531 nan 8.360 nan 0.000 0.426 377 Q N 2.896 122.721 119.800 0.042 0.000 2.187 377 Q HA -0.051 4.289 4.340 -0.000 0.000 0.199 377 Q C 1.472 177.494 176.000 0.037 0.000 0.957 377 Q CA 0.775 56.607 55.803 0.049 0.000 0.857 377 Q CB 0.208 28.981 28.738 0.058 0.000 0.929 377 Q HN 0.521 nan 8.270 nan 0.000 0.453 378 N N -0.274 118.442 118.700 0.027 0.000 2.216 378 N HA -0.093 4.647 4.740 -0.000 0.000 0.183 378 N C 1.668 177.188 175.510 0.017 0.000 1.017 378 N CA 1.844 54.907 53.050 0.020 0.000 0.861 378 N CB 0.200 38.696 38.487 0.015 0.000 0.986 378 N HN 0.335 nan 8.380 nan 0.000 0.428 379 T N -2.582 111.979 114.554 0.012 0.000 2.990 379 T HA 0.194 4.544 4.350 -0.000 0.000 0.250 379 T C 0.644 175.357 174.700 0.022 0.000 1.041 379 T CA -0.078 62.024 62.100 0.002 0.000 1.010 379 T CB 0.545 69.400 68.868 -0.022 0.000 1.003 379 T HN -0.112 nan 8.240 nan 0.000 0.499 380 K N 0.862 121.288 120.400 0.043 0.000 3.341 380 K HA -0.116 4.204 4.320 -0.000 0.000 0.305 380 K C -0.118 176.530 176.600 0.079 0.000 1.270 380 K CA 0.561 56.906 56.287 0.095 0.000 0.897 380 K CB -2.615 29.983 32.500 0.162 0.000 1.264 380 K HN 0.554 nan 8.250 nan 0.000 0.468 381 S N 1.904 117.601 115.700 -0.005 0.000 2.572 381 S HA 0.233 4.703 4.470 -0.000 0.000 0.279 381 S C -2.139 172.418 174.600 -0.073 0.000 1.341 381 S CA -0.759 57.402 58.200 -0.065 0.000 1.043 381 S CB 0.892 64.044 63.200 -0.080 0.000 0.887 381 S HN 0.019 nan 8.310 nan 0.000 0.516 382 P HA 0.283 nan 4.420 nan 0.000 0.283 382 P C 0.382 177.546 177.300 -0.226 0.000 1.412 382 P CA -0.328 62.690 63.100 -0.136 0.000 0.912 382 P CB 0.265 31.859 31.700 -0.176 0.000 1.132 383 L N 1.925 122.954 121.223 -0.323 0.000 2.083 383 L HA -0.054 4.285 4.340 -0.000 0.000 0.209 383 L C 0.409 176.689 176.870 -0.983 0.000 1.083 383 L CA 1.798 56.219 54.840 -0.699 0.000 0.752 383 L CB -0.391 41.110 42.059 -0.930 0.000 0.899 383 L HN 0.228 nan 8.230 nan 0.000 0.433 384 F N -2.026 117.825 119.950 -0.164 0.000 2.626 384 F HA 0.588 5.115 4.527 -0.000 0.000 0.311 384 F C -0.152 175.417 175.800 -0.386 0.000 1.088 384 F CA -0.846 56.976 58.000 -0.296 0.000 0.949 384 F CB 1.731 40.712 39.000 -0.032 0.000 1.322 384 F HN -0.308 nan 8.300 nan 0.000 0.461 385 M N 0.747 120.009 119.600 -0.563 0.000 2.531 385 M HA 0.842 5.322 4.480 -0.000 0.000 0.286 385 M C -0.995 174.891 176.300 -0.690 0.000 1.232 385 M CA -0.150 54.771 55.300 -0.632 0.000 0.877 385 M CB 2.806 35.007 32.600 -0.665 0.000 1.726 385 M HN 0.823 nan 8.290 nan 0.000 0.463 386 G N 1.975 110.348 108.800 -0.711 0.000 2.506 386 G HA2 0.471 4.431 3.960 -0.000 0.000 0.292 386 G HA3 0.471 4.431 3.960 -0.000 0.000 0.292 386 G C -2.564 172.155 174.900 -0.302 0.000 1.425 386 G CA -0.741 44.084 45.100 -0.459 0.000 0.788 386 G HN 0.777 nan 8.290 nan 0.000 0.490 387 K N -0.361 120.120 120.400 0.134 0.000 2.498 387 K HA 0.666 4.986 4.320 -0.000 0.000 0.254 387 K C -1.522 175.195 176.600 0.195 0.000 0.933 387 K CA -0.676 55.754 56.287 0.239 0.000 0.806 387 K CB 2.646 35.344 32.500 0.330 0.000 1.301 387 K HN 0.373 nan 8.250 nan 0.000 0.432 388 V N 5.308 125.218 119.914 -0.007 0.000 2.347 388 V HA 0.150 4.269 4.120 -0.000 0.000 0.280 388 V C 0.851 176.923 176.094 -0.036 0.000 1.021 388 V CA -0.467 61.744 62.300 -0.148 0.000 0.847 388 V CB 1.127 32.611 31.823 -0.565 0.000 0.990 388 V HN 0.764 nan 8.190 nan 0.000 0.444 389 V N 1.541 121.483 119.914 0.046 0.000 3.085 389 V HA 0.443 4.562 4.120 -0.000 0.000 0.245 389 V C 0.548 176.726 176.094 0.141 0.000 1.114 389 V CA 0.665 63.052 62.300 0.145 0.000 1.108 389 V CB 0.182 32.075 31.823 0.117 0.000 0.798 389 V HN 0.753 nan 8.190 nan 0.000 0.471 390 N N 0.423 119.075 118.700 -0.080 0.000 2.752 390 N HA 0.380 5.120 4.740 -0.000 0.000 0.268 390 N C -2.793 172.525 175.510 -0.320 0.000 1.190 390 N CA -1.192 51.713 53.050 -0.241 0.000 0.897 390 N CB 1.926 40.383 38.487 -0.048 0.000 1.515 390 N HN -0.092 nan 8.380 nan 0.000 0.567 391 P HA -0.031 nan 4.420 nan 0.000 0.225 391 P C 0.991 178.174 177.300 -0.196 0.000 1.148 391 P CA 1.217 64.110 63.100 -0.345 0.000 0.779 391 P CB 0.252 31.704 31.700 -0.413 0.000 0.780 392 T N -4.876 109.573 114.554 -0.175 0.000 3.060 392 T HA 0.029 4.379 4.350 -0.000 0.000 0.249 392 T C 1.024 175.683 174.700 -0.068 0.000 1.079 392 T CA -0.319 61.722 62.100 -0.099 0.000 1.013 392 T CB -0.530 68.294 68.868 -0.074 0.000 0.975 392 T HN 0.091 nan 8.240 nan 0.000 0.518 393 Q N 0.000 119.758 119.800 -0.070 0.000 2.315 393 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 393 Q CA 0.000 55.781 55.803 -0.037 0.000 1.022 393 Q CB 0.000 28.723 28.738 -0.026 0.000 1.108 393 Q HN 0.000 nan 8.270 nan 0.000 0.481