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 1fhf_1_B DATA FIRST_RESID 1 DATA SEQUENCE QLTPTFYRET cPNLFPIVFG VIFDASFTDP RIGASLMRLH FHDcFVQGcD DATA SEQUENCE GSVLLNNTDT IESEQDALPN INSIRGLDVV NDIKTAVENS cPDTVScADI DATA SEQUENCE LAIAAEIASV LGGGPGWPVP LGRRDSLTAN RTLANQNLPA PFFNLTQLKA DATA SEQUENCE SFAVQGLNTL DLVTLSGGHT FGRARcSTFI NRLYNFSNTG NPDPTLNTTY DATA SEQUENCE LEVLRARcPQ NATGDNLTNL DLSTPDQFDN RYYSNLLQLN GLLQSDQELF DATA SEQUENCE STPGADTIPI VNSFSSNQNT FFSNFRVSMI KMGNIGVLTG DEGEIRLQcN DATA SEQUENCE FVNG 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 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 176.009 176.000 0.015 0.000 1.003 1 Q CA 0.000 55.811 55.803 0.013 0.000 1.022 1 Q CB 0.000 28.753 28.738 0.025 0.000 1.108 2 L N 1.836 123.050 121.223 -0.014 0.000 2.678 2 L HA 0.029 4.368 4.340 -0.001 0.000 0.285 2 L C 0.842 177.735 176.870 0.037 0.000 1.233 2 L CA 1.059 55.885 54.840 -0.023 0.000 0.920 2 L CB 0.019 42.069 42.059 -0.016 0.000 1.176 2 L HN 0.455 nan 8.230 nan 0.000 0.495 3 T N 3.561 118.162 114.554 0.079 0.000 2.893 3 T HA 0.451 4.800 4.350 -0.001 0.000 0.293 3 T C -1.871 172.922 174.700 0.156 0.000 1.027 3 T CA -1.821 60.351 62.100 0.121 0.000 0.988 3 T CB 2.069 71.028 68.868 0.151 0.000 1.043 3 T HN 0.380 nan 8.240 nan 0.000 0.461 4 P HA 0.046 nan 4.420 nan 0.000 0.230 4 P C 0.863 178.243 177.300 0.132 0.000 1.158 4 P CA 0.771 63.944 63.100 0.122 0.000 0.769 4 P CB -0.114 31.623 31.700 0.063 0.000 0.807 5 T N -5.610 109.022 114.554 0.130 0.000 3.174 5 T HA 0.161 4.510 4.350 -0.001 0.000 0.269 5 T C 1.084 175.864 174.700 0.133 0.000 1.017 5 T CA -0.529 61.636 62.100 0.110 0.000 0.899 5 T CB -1.220 67.670 68.868 0.037 0.000 1.077 5 T HN -0.188 nan 8.240 nan 0.000 0.552 6 F N 1.975 121.938 119.950 0.021 0.000 2.271 6 F HA -0.118 4.409 4.527 -0.000 0.000 0.302 6 F C 0.740 176.361 175.800 -0.299 0.000 1.063 6 F CA 1.093 59.000 58.000 -0.155 0.000 1.362 6 F CB -0.204 38.655 39.000 -0.235 0.000 1.060 6 F HN 0.316 nan 8.300 nan 0.000 0.521 7 Y N -1.495 118.864 120.300 0.099 0.000 2.531 7 Y HA 0.224 4.773 4.550 -0.001 0.000 0.249 7 Y C 1.878 177.774 175.900 -0.006 0.000 1.168 7 Y CA -0.158 57.960 58.100 0.030 0.000 1.226 7 Y CB -0.456 38.087 38.460 0.138 0.000 1.177 7 Y HN -0.140 nan 8.280 nan 0.000 0.527 8 R N 1.708 122.262 120.500 0.089 0.000 2.159 8 R HA -0.236 4.103 4.340 -0.001 0.000 0.252 8 R C 1.411 177.724 176.300 0.021 0.000 1.144 8 R CA 2.662 58.785 56.100 0.039 0.000 0.961 8 R CB -0.065 30.233 30.300 -0.002 0.000 0.877 8 R HN 0.322 nan 8.270 nan 0.000 0.444 9 E N -1.575 118.617 120.200 -0.013 0.000 2.132 9 E HA 0.012 4.361 4.350 -0.001 0.000 0.193 9 E C 2.107 178.711 176.600 0.006 0.000 0.951 9 E CA 1.242 57.631 56.400 -0.017 0.000 0.843 9 E CB -0.562 29.107 29.700 -0.052 0.000 0.807 9 E HN 0.297 nan 8.360 nan 0.000 0.467 10 T N 0.918 115.471 114.554 -0.003 0.000 2.665 10 T HA -0.160 4.190 4.350 -0.001 0.000 0.268 10 T C 1.269 176.047 174.700 0.130 0.000 1.035 10 T CA 1.318 63.447 62.100 0.047 0.000 1.151 10 T CB -0.138 68.736 68.868 0.009 0.000 0.862 10 T HN 0.153 nan 8.240 nan 0.000 0.438 11 c N 1.749 120.467 118.600 0.197 0.000 3.498 11 c HA 0.413 4.983 4.570 -0.001 0.000 0.218 11 c C -1.729 172.430 174.090 0.116 0.000 1.284 11 c CA -1.988 54.430 56.329 0.148 0.000 1.343 11 c CB -0.037 42.558 42.510 0.141 0.000 1.825 11 c HN 0.273 nan 8.230 nan 0.000 0.518 12 P HA -0.196 nan 4.420 nan 0.000 0.219 12 P C 0.262 177.595 177.300 0.054 0.000 1.159 12 P CA 1.823 64.956 63.100 0.056 0.000 0.944 12 P CB -0.047 31.673 31.700 0.033 0.000 0.792 13 N N -1.159 117.569 118.700 0.047 0.000 2.920 13 N HA 0.125 4.864 4.740 -0.001 0.000 0.310 13 N C 0.955 176.502 175.510 0.061 0.000 1.384 13 N CA -0.432 52.648 53.050 0.050 0.000 1.083 13 N CB -0.028 38.478 38.487 0.032 0.000 1.389 13 N HN -0.018 nan 8.380 nan 0.000 0.521 14 L N 0.356 121.628 121.223 0.081 0.000 1.973 14 L HA 0.037 4.377 4.340 -0.001 0.000 0.208 14 L C 1.616 178.530 176.870 0.073 0.000 1.073 14 L CA 1.731 56.596 54.840 0.042 0.000 0.746 14 L CB -0.697 41.358 42.059 -0.007 0.000 0.891 14 L HN 0.158 nan 8.230 nan 0.000 0.433 15 F N 0.272 120.188 119.950 -0.056 0.000 2.043 15 F HA -0.184 4.342 4.527 -0.001 0.000 0.297 15 F C -0.121 175.677 175.800 -0.003 0.000 1.118 15 F CA 2.477 60.454 58.000 -0.039 0.000 1.202 15 F CB -2.218 36.743 39.000 -0.065 0.000 0.965 15 F HN 0.178 nan 8.300 nan 0.000 0.482 16 P HA -0.223 nan 4.420 nan 0.000 0.216 16 P C 1.981 179.337 177.300 0.093 0.000 1.154 16 P CA 1.813 64.966 63.100 0.087 0.000 0.865 16 P CB -0.094 31.631 31.700 0.043 0.000 0.789 17 I N -0.965 119.635 120.570 0.051 0.000 2.113 17 I HA -0.217 3.952 4.170 -0.001 0.000 0.238 17 I C 2.421 178.539 176.117 0.002 0.000 1.070 17 I CA 1.572 62.886 61.300 0.022 0.000 1.332 17 I CB -1.057 36.942 38.000 -0.002 0.000 1.044 17 I HN -0.120 nan 8.210 nan 0.000 0.402 18 V N 0.522 120.408 119.914 -0.047 0.000 2.407 18 V HA -0.320 3.799 4.120 -0.001 0.000 0.248 18 V C 2.336 178.391 176.094 -0.065 0.000 1.055 18 V CA 1.762 64.004 62.300 -0.098 0.000 1.049 18 V CB -0.601 31.102 31.823 -0.200 0.000 0.662 18 V HN 0.382 nan 8.190 nan 0.000 0.455 19 F N 2.140 122.002 119.950 -0.147 0.000 2.102 19 F HA 0.054 4.580 4.527 -0.001 0.000 0.298 19 F C 2.271 178.042 175.800 -0.048 0.000 1.105 19 F CA 2.155 60.090 58.000 -0.109 0.000 1.239 19 F CB -0.958 37.990 39.000 -0.088 0.000 0.991 19 F HN 0.252 nan 8.300 nan 0.000 0.474 20 G N -0.167 108.715 108.800 0.138 0.000 2.446 20 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.217 20 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.217 20 G C 1.774 176.660 174.900 -0.024 0.000 1.168 20 G CA 1.241 46.394 45.100 0.088 0.000 0.771 20 G HN 0.333 nan 8.290 nan 0.000 0.551 21 V N 1.548 121.424 119.914 -0.063 0.000 2.231 21 V HA -0.230 3.889 4.120 -0.001 0.000 0.248 21 V C 2.829 178.817 176.094 -0.177 0.000 1.054 21 V CA 1.990 64.223 62.300 -0.110 0.000 1.015 21 V CB -0.514 31.251 31.823 -0.096 0.000 0.638 21 V HN 0.434 nan 8.190 nan 0.000 0.444 22 I N -0.967 119.484 120.570 -0.199 0.000 2.335 22 I HA -0.261 3.908 4.170 -0.001 0.000 0.251 22 I C 2.323 178.275 176.117 -0.274 0.000 1.129 22 I CA 1.721 62.880 61.300 -0.235 0.000 1.402 22 I CB -0.487 37.362 38.000 -0.251 0.000 1.069 22 I HN 0.318 nan 8.210 nan 0.000 0.424 23 F N 2.212 121.870 119.950 -0.486 0.000 2.113 23 F HA -0.218 4.308 4.527 -0.001 0.000 0.297 23 F C 2.173 177.539 175.800 -0.723 0.000 1.103 23 F CA 1.727 59.425 58.000 -0.503 0.000 1.248 23 F CB -0.332 38.403 39.000 -0.441 0.000 0.999 23 F HN 0.063 nan 8.300 nan 0.000 0.475 24 D N 0.340 120.244 120.400 -0.826 0.000 2.178 24 D HA -0.079 4.560 4.640 -0.001 0.000 0.202 24 D C 2.207 177.957 176.300 -0.917 0.000 0.974 24 D CA 1.263 54.432 54.000 -1.385 0.000 0.841 24 D CB -0.529 39.892 40.800 -0.630 0.000 0.953 24 D HN 0.366 nan 8.370 nan 0.000 0.478 25 A N 0.796 123.310 122.820 -0.510 0.000 2.248 25 A HA -0.066 4.253 4.320 -0.001 0.000 0.210 25 A C 2.101 179.521 177.584 -0.274 0.000 1.174 25 A CA 1.365 53.218 52.037 -0.306 0.000 0.750 25 A CB -0.258 18.613 19.000 -0.216 0.000 0.780 25 A HN 0.258 nan 8.150 nan 0.000 0.478 26 S N -2.093 113.380 115.700 -0.378 0.000 2.511 26 S HA 0.140 4.609 4.470 -0.001 0.000 0.214 26 S C 1.265 175.811 174.600 -0.089 0.000 0.997 26 S CA -0.098 57.968 58.200 -0.224 0.000 0.908 26 S CB -0.522 62.546 63.200 -0.219 0.000 0.803 26 S HN 0.228 nan 8.310 nan 0.000 0.504 27 F N 4.002 123.799 119.950 -0.254 0.000 2.250 27 F HA 0.005 4.531 4.527 -0.001 0.000 0.301 27 F C 2.569 178.288 175.800 -0.135 0.000 1.077 27 F CA 1.187 59.056 58.000 -0.218 0.000 1.348 27 F CB -1.256 37.620 39.000 -0.207 0.000 1.040 27 F HN 0.540 nan 8.300 nan 0.000 0.509 28 T N -4.960 109.634 114.554 0.066 0.000 3.040 28 T HA 0.175 4.524 4.350 -0.001 0.000 0.266 28 T C -0.155 174.536 174.700 -0.015 0.000 1.005 28 T CA -0.021 62.090 62.100 0.018 0.000 0.906 28 T CB 0.313 69.188 68.868 0.011 0.000 1.082 28 T HN -0.007 nan 8.240 nan 0.000 0.531 29 D N 2.115 122.493 120.400 -0.037 0.000 2.323 29 D HA 0.295 4.935 4.640 -0.001 0.000 0.242 29 D C -2.517 173.747 176.300 -0.060 0.000 1.347 29 D CA -1.981 51.989 54.000 -0.050 0.000 0.988 29 D CB 2.069 42.831 40.800 -0.063 0.000 1.314 29 D HN -0.054 nan 8.370 nan 0.000 0.564 30 P HA 0.080 nan 4.420 nan 0.000 0.259 30 P C 0.550 177.810 177.300 -0.067 0.000 1.480 30 P CA 0.113 63.191 63.100 -0.037 0.000 0.842 30 P CB 0.198 31.892 31.700 -0.009 0.000 1.513 31 R N -0.634 119.809 120.500 -0.095 0.000 2.513 31 R HA 0.141 4.480 4.340 -0.001 0.000 0.245 31 R C 1.728 177.926 176.300 -0.169 0.000 0.908 31 R CA -0.220 55.794 56.100 -0.143 0.000 1.023 31 R CB -0.186 30.050 30.300 -0.106 0.000 1.338 31 R HN -0.093 nan 8.270 nan 0.000 0.575 32 I N 1.510 122.001 120.570 -0.132 0.000 2.399 32 I HA -0.103 4.066 4.170 -0.001 0.000 0.254 32 I C 1.746 177.779 176.117 -0.139 0.000 1.146 32 I CA 1.754 62.978 61.300 -0.127 0.000 1.412 32 I CB -0.408 37.521 38.000 -0.119 0.000 1.076 32 I HN 0.283 nan 8.210 nan 0.000 0.432 33 G N -0.209 108.496 108.800 -0.158 0.000 2.434 33 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.214 33 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.214 33 G C 1.762 176.545 174.900 -0.195 0.000 1.202 33 G CA 0.782 45.803 45.100 -0.132 0.000 0.788 33 G HN 0.570 nan 8.290 nan 0.000 0.539 34 A N 0.671 123.171 122.820 -0.535 0.000 1.908 34 A HA -0.022 4.298 4.320 -0.001 0.000 0.218 34 A C 2.704 180.170 177.584 -0.198 0.000 1.181 34 A CA 2.366 53.984 52.037 -0.698 0.000 0.627 34 A CB -0.712 17.602 19.000 -1.143 0.000 0.818 34 A HN 0.320 nan 8.150 nan 0.000 0.445 35 S N -0.141 115.455 115.700 -0.175 0.000 2.370 35 S HA -0.125 4.345 4.470 -0.001 0.000 0.226 35 S C 1.825 176.397 174.600 -0.048 0.000 1.033 35 S CA 1.539 59.682 58.200 -0.093 0.000 1.011 35 S CB -0.470 62.672 63.200 -0.096 0.000 0.852 35 S HN 0.521 nan 8.310 nan 0.000 0.457 36 L N 0.795 121.991 121.223 -0.044 0.000 2.046 36 L HA -0.117 4.222 4.340 -0.001 0.000 0.208 36 L C 2.581 179.487 176.870 0.059 0.000 1.077 36 L CA 1.238 56.071 54.840 -0.011 0.000 0.747 36 L CB -0.482 41.554 42.059 -0.039 0.000 0.896 36 L HN 0.389 nan 8.230 nan 0.000 0.432 37 M N -0.114 119.549 119.600 0.106 0.000 2.065 37 M HA -0.271 4.208 4.480 -0.001 0.000 0.259 37 M C 2.531 178.980 176.300 0.247 0.000 1.071 37 M CA 1.800 57.228 55.300 0.214 0.000 1.109 37 M CB -0.284 32.516 32.600 0.334 0.000 1.313 37 M HN 0.077 nan 8.290 nan 0.000 0.408 38 R N 0.232 120.852 120.500 0.201 0.000 2.211 38 R HA -0.197 4.142 4.340 -0.001 0.000 0.240 38 R C 1.993 178.338 176.300 0.076 0.000 1.144 38 R CA 1.326 57.543 56.100 0.194 0.000 0.992 38 R CB -0.378 29.979 30.300 0.094 0.000 0.869 38 R HN 0.412 nan 8.270 nan 0.000 0.462 39 L N -0.056 121.195 121.223 0.047 0.000 2.072 39 L HA -0.138 4.201 4.340 -0.001 0.000 0.205 39 L C 2.165 179.102 176.870 0.112 0.000 1.079 39 L CA 2.064 56.911 54.840 0.012 0.000 0.752 39 L CB -0.721 41.344 42.059 0.010 0.000 0.906 39 L HN 0.239 nan 8.230 nan 0.000 0.436 40 H N -1.510 117.613 119.070 0.088 0.000 2.421 40 H HA -0.244 4.311 4.556 -0.001 0.000 0.298 40 H C 2.005 177.444 175.328 0.186 0.000 1.087 40 H CA 2.011 58.127 56.048 0.113 0.000 1.330 40 H CB -0.332 29.499 29.762 0.116 0.000 1.388 40 H HN 0.459 nan 8.280 nan 0.000 0.526 41 F N -0.210 119.748 119.950 0.014 0.000 2.113 41 F HA -0.182 4.345 4.527 -0.001 0.000 0.297 41 F C 2.134 177.930 175.800 -0.007 0.000 1.103 41 F CA 1.494 59.461 58.000 -0.054 0.000 1.248 41 F CB -0.265 38.739 39.000 0.006 0.000 0.999 41 F HN 0.301 nan 8.300 nan 0.000 0.475 42 H N -1.099 117.740 119.070 -0.385 0.000 2.546 42 H HA -0.132 4.424 4.556 -0.001 0.000 0.277 42 H C 1.248 176.431 175.328 -0.242 0.000 1.004 42 H CA 0.765 56.530 56.048 -0.471 0.000 1.231 42 H CB 0.018 29.605 29.762 -0.292 0.000 1.382 42 H HN 0.421 nan 8.280 nan 0.000 0.580 43 D N 0.112 120.487 120.400 -0.043 0.000 2.146 43 D HA -0.100 4.539 4.640 -0.001 0.000 0.209 43 D C 2.264 178.534 176.300 -0.050 0.000 0.973 43 D CA 0.782 54.756 54.000 -0.042 0.000 0.860 43 D CB -0.413 40.370 40.800 -0.029 0.000 1.015 43 D HN 0.165 nan 8.370 nan 0.000 0.465 44 c N 0.062 118.618 118.600 -0.072 0.000 2.398 44 c HA -0.148 4.421 4.570 -0.001 0.000 0.276 44 c C 2.505 176.656 174.090 0.102 0.000 1.222 44 c CA 0.439 56.767 56.329 -0.002 0.000 1.746 44 c CB -1.566 40.942 42.510 -0.003 0.000 2.039 44 c HN 0.333 nan 8.230 nan 0.000 0.470 45 F N 0.541 120.383 119.950 -0.180 0.000 2.546 45 F HA 0.071 4.597 4.527 -0.001 0.000 0.298 45 F C 0.886 176.587 175.800 -0.164 0.000 1.120 45 F CA 0.742 58.630 58.000 -0.188 0.000 1.456 45 F CB -0.300 38.529 39.000 -0.285 0.000 1.088 45 F HN -0.008 nan 8.300 nan 0.000 0.572 46 V N 0.031 119.946 119.914 0.002 0.000 2.349 46 V HA 0.220 4.340 4.120 -0.001 0.000 0.284 46 V C 0.626 176.698 176.094 -0.037 0.000 1.014 46 V CA -0.669 61.609 62.300 -0.036 0.000 0.826 46 V CB 1.202 32.994 31.823 -0.052 0.000 1.009 46 V HN 0.292 nan 8.190 nan 0.000 0.431 47 Q N 3.396 123.170 119.800 -0.042 0.000 2.261 47 Q HA -0.210 4.129 4.340 -0.001 0.000 0.155 47 Q C 0.507 176.486 176.000 -0.035 0.000 0.598 47 Q CA 1.832 57.614 55.803 -0.036 0.000 1.376 47 Q CB -0.928 27.794 28.738 -0.026 0.000 1.356 47 Q HN 1.864 nan 8.270 nan 0.000 0.947 48 G N -2.128 106.649 108.800 -0.037 0.000 2.406 48 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.680 48 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.680 48 G C -0.527 174.358 174.900 -0.025 0.000 1.338 48 G CA -0.493 44.587 45.100 -0.033 0.000 0.941 48 G HN 0.495 nan 8.290 nan 0.000 0.633 49 c N 1.869 120.455 118.600 -0.023 0.000 2.773 49 c HA 0.429 4.998 4.570 -0.001 0.000 0.442 49 c C 0.870 174.965 174.090 0.008 0.000 1.028 49 c CA 0.280 56.597 56.329 -0.019 0.000 1.164 49 c CB -1.745 40.762 42.510 -0.005 0.000 1.593 49 c HN 0.748 nan 8.230 nan 0.000 0.557 50 D N -0.698 119.704 120.400 0.003 0.000 2.620 50 D HA 0.204 4.843 4.640 -0.001 0.000 0.260 50 D C 1.333 177.639 176.300 0.010 0.000 1.367 50 D CA 0.216 54.221 54.000 0.008 0.000 0.805 50 D CB -0.434 40.366 40.800 -0.001 0.000 1.096 50 D HN 0.535 nan 8.370 nan 0.000 0.488 51 G N 1.258 110.066 108.800 0.015 0.000 2.205 51 G HA2 -0.445 3.515 3.960 -0.001 0.000 0.269 51 G HA3 -0.445 3.515 3.960 -0.001 0.000 0.269 51 G C 1.394 176.290 174.900 -0.008 0.000 0.977 51 G CA 1.416 46.521 45.100 0.009 0.000 0.652 51 G HN 0.880 nan 8.290 nan 0.000 0.539 52 S N -0.597 115.097 115.700 -0.010 0.000 2.444 52 S HA -0.157 4.312 4.470 -0.001 0.000 0.244 52 S C 2.126 176.710 174.600 -0.026 0.000 1.025 52 S CA 2.113 60.303 58.200 -0.017 0.000 0.995 52 S CB -0.399 62.791 63.200 -0.016 0.000 0.781 52 S HN 0.979 nan 8.310 nan 0.000 0.496 53 V N 1.181 121.081 119.914 -0.023 0.000 2.871 53 V HA 0.120 4.239 4.120 -0.001 0.000 0.256 53 V C 2.127 178.197 176.094 -0.040 0.000 1.082 53 V CA 1.044 63.329 62.300 -0.025 0.000 1.105 53 V CB -0.792 31.025 31.823 -0.009 0.000 0.713 53 V HN 0.501 nan 8.190 nan 0.000 0.473 54 L N -0.325 120.869 121.223 -0.049 0.000 2.554 54 L HA 0.157 4.497 4.340 -0.001 0.000 0.226 54 L C 0.702 177.493 176.870 -0.132 0.000 1.137 54 L CA 0.302 55.096 54.840 -0.077 0.000 0.863 54 L CB -0.217 41.804 42.059 -0.063 0.000 0.985 54 L HN 0.248 nan 8.230 nan 0.000 0.451 55 L N 0.720 121.870 121.223 -0.121 0.000 2.410 55 L HA 0.081 4.421 4.340 -0.001 0.000 0.273 55 L C 0.305 177.057 176.870 -0.197 0.000 1.152 55 L CA 0.209 54.946 54.840 -0.173 0.000 0.855 55 L CB 0.310 42.314 42.059 -0.092 0.000 1.129 55 L HN 0.247 nan 8.230 nan 0.000 0.463 56 N N 1.845 120.337 118.700 -0.347 0.000 2.413 56 N HA 0.180 4.920 4.740 -0.001 0.000 0.266 56 N C -0.361 175.101 175.510 -0.081 0.000 1.238 56 N CA -0.965 51.933 53.050 -0.253 0.000 0.972 56 N CB 0.529 38.768 38.487 -0.414 0.000 1.210 56 N HN 0.543 nan 8.380 nan 0.000 0.547 57 N N 0.646 119.349 118.700 0.003 0.000 2.468 57 N HA 0.116 4.855 4.740 -0.001 0.000 0.265 57 N C -0.702 174.886 175.510 0.130 0.000 1.199 57 N CA 0.661 53.744 53.050 0.056 0.000 0.928 57 N CB 0.675 39.188 38.487 0.044 0.000 1.059 57 N HN 0.420 nan 8.380 nan 0.000 0.467 58 T N 0.039 114.659 114.554 0.110 0.000 2.888 58 T HA 0.252 4.601 4.350 -0.001 0.000 0.288 58 T C 0.739 175.480 174.700 0.067 0.000 1.063 58 T CA -0.708 61.464 62.100 0.119 0.000 1.010 58 T CB 1.442 70.394 68.868 0.140 0.000 1.214 58 T HN 0.326 nan 8.240 nan 0.000 0.533 59 D N 0.552 120.982 120.400 0.051 0.000 2.264 59 D HA -0.073 4.566 4.640 -0.001 0.000 0.208 59 D C 1.604 177.922 176.300 0.031 0.000 0.966 59 D CA 1.164 55.183 54.000 0.032 0.000 0.864 59 D CB 0.184 40.997 40.800 0.022 0.000 0.933 59 D HN 0.485 nan 8.370 nan 0.000 0.499 60 T N 0.059 114.636 114.554 0.039 0.000 2.990 60 T HA 0.140 4.490 4.350 -0.001 0.000 0.250 60 T C 0.722 175.442 174.700 0.033 0.000 1.041 60 T CA -0.259 61.861 62.100 0.033 0.000 1.010 60 T CB 0.214 69.102 68.868 0.034 0.000 1.003 60 T HN 0.175 nan 8.240 nan 0.000 0.499 61 I N -0.978 119.616 120.570 0.041 0.000 2.545 61 I HA 0.650 4.819 4.170 -0.001 0.000 0.292 61 I C -1.276 174.856 176.117 0.025 0.000 1.040 61 I CA -1.065 60.253 61.300 0.031 0.000 1.068 61 I CB 2.490 40.509 38.000 0.032 0.000 1.251 61 I HN -0.151 nan 8.210 nan 0.000 0.424 62 E N 4.093 124.301 120.200 0.014 0.000 2.103 62 E HA 0.207 4.556 4.350 -0.001 0.000 0.254 62 E C -0.378 176.222 176.600 0.000 0.000 0.940 62 E CA -0.486 55.919 56.400 0.010 0.000 0.771 62 E CB 1.434 31.140 29.700 0.009 0.000 1.153 62 E HN 0.689 nan 8.360 nan 0.000 0.428 63 S N 2.291 117.988 115.700 -0.006 0.000 2.643 63 S HA -0.141 4.328 4.470 -0.001 0.000 0.310 63 S C 1.093 175.683 174.600 -0.016 0.000 1.253 63 S CA 0.333 58.521 58.200 -0.019 0.000 1.047 63 S CB 0.425 63.607 63.200 -0.031 0.000 0.767 63 S HN 0.487 nan 8.310 nan 0.000 0.498 64 E N 3.068 123.256 120.200 -0.020 0.000 2.268 64 E HA -0.158 4.191 4.350 -0.001 0.000 0.195 64 E C 1.846 178.439 176.600 -0.012 0.000 0.995 64 E CA 0.842 57.231 56.400 -0.018 0.000 0.836 64 E CB -0.072 29.614 29.700 -0.024 0.000 0.763 64 E HN 0.774 nan 8.360 nan 0.000 0.491 65 Q N 0.616 120.407 119.800 -0.014 0.000 2.515 65 Q HA -0.155 4.184 4.340 -0.001 0.000 0.215 65 Q C 0.630 176.629 176.000 -0.002 0.000 0.983 65 Q CA 0.769 56.566 55.803 -0.009 0.000 0.905 65 Q CB 0.094 28.819 28.738 -0.023 0.000 0.961 65 Q HN 0.233 nan 8.270 nan 0.000 0.503 66 D N -0.603 119.796 120.400 -0.003 0.000 2.395 66 D HA 0.178 4.818 4.640 -0.001 0.000 0.213 66 D C -0.096 176.207 176.300 0.005 0.000 1.110 66 D CA 0.036 54.038 54.000 0.002 0.000 0.835 66 D CB 0.333 41.134 40.800 0.002 0.000 0.965 66 D HN 0.149 nan 8.370 nan 0.000 0.505 67 A N 0.327 123.148 122.820 0.002 0.000 2.332 67 A HA 0.265 4.584 4.320 -0.001 0.000 0.258 67 A C 1.612 179.201 177.584 0.008 0.000 1.087 67 A CA -0.391 51.647 52.037 0.001 0.000 0.802 67 A CB 0.427 19.419 19.000 -0.014 0.000 1.042 67 A HN 0.110 nan 8.150 nan 0.000 0.489 68 L N 1.130 122.362 121.223 0.014 0.000 2.021 68 L HA -0.154 4.186 4.340 -0.001 0.000 0.215 68 L C -0.213 176.671 176.870 0.024 0.000 1.074 68 L CA 2.010 56.866 54.840 0.026 0.000 0.760 68 L CB -1.354 40.731 42.059 0.044 0.000 0.889 68 L HN 0.657 nan 8.230 nan 0.000 0.433 69 P HA -0.036 nan 4.420 nan 0.000 0.236 69 P C 0.627 177.969 177.300 0.069 0.000 1.177 69 P CA 1.045 64.150 63.100 0.008 0.000 0.773 69 P CB 0.105 31.755 31.700 -0.083 0.000 0.878 70 N N -0.145 118.586 118.700 0.051 0.000 2.436 70 N HA 0.042 4.781 4.740 -0.001 0.000 0.178 70 N C 0.827 176.361 175.510 0.040 0.000 1.026 70 N CA -0.181 52.914 53.050 0.075 0.000 0.880 70 N CB -0.540 37.979 38.487 0.053 0.000 1.061 70 N HN 0.104 nan 8.380 nan 0.000 0.434 71 I N 3.232 123.817 120.570 0.025 0.000 2.826 71 I HA -0.145 4.024 4.170 -0.001 0.000 0.295 71 I C 0.319 176.445 176.117 0.014 0.000 1.213 71 I CA 0.402 61.711 61.300 0.015 0.000 1.436 71 I CB -0.101 37.907 38.000 0.014 0.000 1.348 71 I HN 0.262 nan 8.210 nan 0.000 0.570 72 N N 3.519 122.222 118.700 0.006 0.000 2.693 72 N HA -0.236 4.503 4.740 -0.001 0.000 0.249 72 N C 0.599 176.111 175.510 0.002 0.000 1.119 72 N CA 1.212 54.263 53.050 0.001 0.000 0.717 72 N CB -0.881 37.606 38.487 0.000 0.000 1.071 72 N HN 0.726 nan 8.380 nan 0.000 0.555 73 S N -0.985 114.719 115.700 0.006 0.000 3.608 73 S HA 0.296 4.766 4.470 -0.001 0.000 0.234 73 S C 0.611 175.202 174.600 -0.016 0.000 1.077 73 S CA -0.095 58.108 58.200 0.006 0.000 0.827 73 S CB 0.278 63.498 63.200 0.032 0.000 0.964 73 S HN 0.331 nan 8.310 nan 0.000 0.547 74 I N 2.814 123.369 120.570 -0.026 0.000 2.836 74 I HA 0.463 4.632 4.170 -0.001 0.000 0.285 74 I C -0.122 175.965 176.117 -0.051 0.000 1.174 74 I CA -0.484 60.776 61.300 -0.068 0.000 1.405 74 I CB 0.292 38.242 38.000 -0.085 0.000 1.385 74 I HN 0.461 nan 8.210 nan 0.000 0.594 75 R N 2.430 122.894 120.500 -0.060 0.000 2.716 75 R HA 0.641 4.980 4.340 -0.001 0.000 0.271 75 R C -0.011 176.256 176.300 -0.055 0.000 1.028 75 R CA -0.400 55.669 56.100 -0.051 0.000 0.883 75 R CB 1.270 31.543 30.300 -0.047 0.000 1.250 75 R HN 1.122 nan 8.270 nan 0.000 0.465 76 G N 0.554 109.323 108.800 -0.052 0.000 2.148 76 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.203 76 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.203 76 G C 0.471 175.340 174.900 -0.052 0.000 0.993 76 G CA 0.138 45.205 45.100 -0.055 0.000 0.661 76 G HN 0.405 nan 8.290 nan 0.000 0.518 77 L N 0.669 121.863 121.223 -0.048 0.000 2.362 77 L HA 0.043 4.383 4.340 -0.001 0.000 0.219 77 L C 2.522 179.364 176.870 -0.046 0.000 1.134 77 L CA 2.019 56.830 54.840 -0.048 0.000 0.807 77 L CB -0.636 41.391 42.059 -0.053 0.000 0.927 77 L HN 0.533 nan 8.230 nan 0.000 0.447 78 D N -0.080 120.294 120.400 -0.043 0.000 2.103 78 D HA -0.176 4.463 4.640 -0.001 0.000 0.199 78 D C 2.107 178.380 176.300 -0.045 0.000 0.978 78 D CA 0.659 54.636 54.000 -0.038 0.000 0.829 78 D CB -0.477 40.302 40.800 -0.036 0.000 0.981 78 D HN 0.032 nan 8.370 nan 0.000 0.464 79 V N 0.495 120.376 119.914 -0.056 0.000 2.626 79 V HA -0.155 3.964 4.120 -0.001 0.000 0.252 79 V C 2.099 178.153 176.094 -0.066 0.000 1.067 79 V CA 1.009 63.268 62.300 -0.068 0.000 1.081 79 V CB -0.072 31.701 31.823 -0.084 0.000 0.686 79 V HN 0.207 nan 8.190 nan 0.000 0.468 80 V N 1.019 120.898 119.914 -0.058 0.000 2.343 80 V HA -0.213 3.907 4.120 -0.001 0.000 0.247 80 V C 2.381 178.447 176.094 -0.046 0.000 1.051 80 V CA 2.420 64.687 62.300 -0.054 0.000 1.036 80 V CB -0.881 30.915 31.823 -0.046 0.000 0.654 80 V HN 0.609 nan 8.190 nan 0.000 0.451 81 N N 0.080 118.757 118.700 -0.039 0.000 2.244 81 N HA -0.136 4.604 4.740 -0.001 0.000 0.183 81 N C 1.492 176.986 175.510 -0.026 0.000 1.016 81 N CA 1.281 54.315 53.050 -0.026 0.000 0.866 81 N CB -0.341 38.136 38.487 -0.017 0.000 0.980 81 N HN 0.466 nan 8.380 nan 0.000 0.430 82 D N 0.926 121.304 120.400 -0.036 0.000 2.178 82 D HA -0.030 4.609 4.640 -0.001 0.000 0.201 82 D C 2.060 178.335 176.300 -0.042 0.000 0.980 82 D CA 0.378 54.356 54.000 -0.038 0.000 0.842 82 D CB -0.070 40.700 40.800 -0.049 0.000 0.948 82 D HN 0.307 nan 8.370 nan 0.000 0.472 83 I N 0.432 120.970 120.570 -0.053 0.000 2.163 83 I HA -0.263 3.907 4.170 -0.001 0.000 0.240 83 I C 2.328 178.416 176.117 -0.048 0.000 1.081 83 I CA 0.885 62.148 61.300 -0.062 0.000 1.353 83 I CB -0.151 37.800 38.000 -0.080 0.000 1.054 83 I HN -0.082 nan 8.210 nan 0.000 0.407 84 K N 1.170 121.547 120.400 -0.038 0.000 2.044 84 K HA -0.185 4.134 4.320 -0.001 0.000 0.210 84 K C 1.994 178.586 176.600 -0.013 0.000 1.049 84 K CA 2.264 58.537 56.287 -0.023 0.000 0.927 84 K CB -0.703 31.790 32.500 -0.012 0.000 0.713 84 K HN 0.189 nan 8.250 nan 0.000 0.443 85 T N 0.197 114.744 114.554 -0.011 0.000 2.720 85 T HA -0.163 4.186 4.350 -0.001 0.000 0.268 85 T C 1.804 176.501 174.700 -0.006 0.000 1.037 85 T CA 1.623 63.721 62.100 -0.004 0.000 1.144 85 T CB -0.511 68.354 68.868 -0.004 0.000 0.864 85 T HN 0.420 nan 8.240 nan 0.000 0.444 86 A N 0.594 123.406 122.820 -0.014 0.000 1.968 86 A HA 0.061 4.381 4.320 -0.001 0.000 0.217 86 A C 2.545 180.122 177.584 -0.012 0.000 1.169 86 A CA 0.870 52.900 52.037 -0.012 0.000 0.638 86 A CB -0.672 18.317 19.000 -0.019 0.000 0.812 86 A HN 0.363 nan 8.150 nan 0.000 0.446 87 V N 0.184 120.086 119.914 -0.020 0.000 2.358 87 V HA -0.172 3.948 4.120 -0.001 0.000 0.246 87 V C 2.504 178.596 176.094 -0.004 0.000 1.047 87 V CA 1.911 64.197 62.300 -0.022 0.000 1.035 87 V CB -0.643 31.154 31.823 -0.044 0.000 0.658 87 V HN 0.477 nan 8.190 nan 0.000 0.452 88 E N 0.596 120.798 120.200 0.002 0.000 2.077 88 E HA -0.200 4.149 4.350 -0.001 0.000 0.193 88 E C 1.955 178.564 176.600 0.015 0.000 0.989 88 E CA 1.227 57.636 56.400 0.014 0.000 0.800 88 E CB -0.596 29.113 29.700 0.016 0.000 0.746 88 E HN 0.706 nan 8.360 nan 0.000 0.452 89 N N 0.123 118.829 118.700 0.010 0.000 2.519 89 N HA -0.103 4.636 4.740 -0.001 0.000 0.186 89 N C 1.609 177.127 175.510 0.013 0.000 1.062 89 N CA 0.691 53.748 53.050 0.011 0.000 0.910 89 N CB 0.083 38.575 38.487 0.008 0.000 0.958 89 N HN -0.035 nan 8.380 nan 0.000 0.445 90 S N -0.790 114.918 115.700 0.014 0.000 2.807 90 S HA 0.124 4.593 4.470 -0.001 0.000 0.247 90 S C 0.441 175.056 174.600 0.025 0.000 1.078 90 S CA -0.142 58.069 58.200 0.018 0.000 0.867 90 S CB 0.424 63.634 63.200 0.015 0.000 0.797 90 S HN 0.271 nan 8.310 nan 0.000 0.515 91 c N 3.911 122.529 118.600 0.029 0.000 2.842 91 c HA 0.522 5.091 4.570 -0.001 0.000 0.311 91 c C -2.678 171.442 174.090 0.049 0.000 1.312 91 c CA -1.850 54.507 56.329 0.047 0.000 1.651 91 c CB -0.472 42.075 42.510 0.062 0.000 1.826 91 c HN 0.419 nan 8.230 nan 0.000 0.491 92 P HA -0.054 nan 4.420 nan 0.000 0.257 92 P C 0.644 177.974 177.300 0.051 0.000 1.153 92 P CA 1.455 64.578 63.100 0.039 0.000 0.762 92 P CB 0.287 32.006 31.700 0.031 0.000 0.743 93 D N 2.852 123.284 120.400 0.052 0.000 2.916 93 D HA -0.247 4.392 4.640 -0.001 0.000 0.211 93 D C 0.110 176.463 176.300 0.088 0.000 1.260 93 D CA 1.568 55.606 54.000 0.064 0.000 0.711 93 D CB -0.963 39.869 40.800 0.053 0.000 0.915 93 D HN 0.486 nan 8.370 nan 0.000 0.391 94 T N -2.235 112.391 114.554 0.119 0.000 3.098 94 T HA 0.241 4.591 4.350 -0.001 0.000 0.256 94 T C 0.599 175.483 174.700 0.306 0.000 0.921 94 T CA 0.452 62.664 62.100 0.186 0.000 0.916 94 T CB 0.308 69.290 68.868 0.189 0.000 1.246 94 T HN 0.083 nan 8.240 nan 0.000 0.511 95 V N 4.126 124.175 119.914 0.225 0.000 2.427 95 V HA 0.671 4.790 4.120 -0.001 0.000 0.286 95 V C 0.545 176.713 176.094 0.123 0.000 1.034 95 V CA -0.693 61.727 62.300 0.200 0.000 0.893 95 V CB 1.411 33.189 31.823 -0.075 0.000 0.982 95 V HN 0.722 nan 8.190 nan 0.000 0.452 96 S N 2.901 118.689 115.700 0.147 0.000 2.617 96 S HA 0.146 4.615 4.470 -0.001 0.000 0.269 96 S C 1.111 175.736 174.600 0.041 0.000 1.292 96 S CA -0.513 57.739 58.200 0.088 0.000 1.010 96 S CB 1.093 64.347 63.200 0.091 0.000 0.944 96 S HN 0.724 nan 8.310 nan 0.000 0.536 97 c N 1.339 119.957 118.600 0.030 0.000 2.446 97 c HA 0.053 4.623 4.570 -0.001 0.000 0.277 97 c C 3.200 177.303 174.090 0.023 0.000 1.275 97 c CA 0.904 57.241 56.329 0.013 0.000 1.727 97 c CB -2.067 40.448 42.510 0.009 0.000 2.010 97 c HN 1.031 nan 8.230 nan 0.000 0.486 98 A N 1.377 124.220 122.820 0.037 0.000 1.869 98 A HA -0.304 4.015 4.320 -0.001 0.000 0.218 98 A C 1.758 179.386 177.584 0.073 0.000 1.203 98 A CA 2.649 54.721 52.037 0.058 0.000 0.638 98 A CB -0.904 18.126 19.000 0.049 0.000 0.831 98 A HN 0.537 nan 8.150 nan 0.000 0.450 99 D N -0.287 120.146 120.400 0.055 0.000 2.123 99 D HA -0.124 4.515 4.640 -0.001 0.000 0.196 99 D C 1.813 178.101 176.300 -0.019 0.000 0.992 99 D CA 1.150 55.176 54.000 0.043 0.000 0.833 99 D CB -0.394 40.448 40.800 0.070 0.000 0.954 99 D HN 0.546 nan 8.370 nan 0.000 0.455 100 I N 0.453 120.998 120.570 -0.041 0.000 2.194 100 I HA -0.273 3.897 4.170 -0.001 0.000 0.246 100 I C 2.308 178.375 176.117 -0.083 0.000 1.093 100 I CA 0.777 62.023 61.300 -0.089 0.000 1.355 100 I CB -0.175 37.781 38.000 -0.073 0.000 1.046 100 I HN 0.049 nan 8.210 nan 0.000 0.413 101 L N 0.316 121.531 121.223 -0.014 0.000 2.093 101 L HA -0.182 4.157 4.340 -0.001 0.000 0.208 101 L C 2.846 179.641 176.870 -0.125 0.000 1.085 101 L CA 1.276 56.129 54.840 0.020 0.000 0.755 101 L CB -0.744 41.417 42.059 0.169 0.000 0.904 101 L HN 0.241 nan 8.230 nan 0.000 0.435 102 A N 0.341 123.051 122.820 -0.183 0.000 1.969 102 A HA -0.135 4.184 4.320 -0.001 0.000 0.218 102 A C 2.159 179.563 177.584 -0.301 0.000 1.169 102 A CA 1.303 53.028 52.037 -0.521 0.000 0.635 102 A CB -0.538 18.390 19.000 -0.121 0.000 0.810 102 A HN 0.396 nan 8.150 nan 0.000 0.445 103 I N -0.563 119.878 120.570 -0.215 0.000 2.439 103 I HA -0.160 4.009 4.170 -0.001 0.000 0.251 103 I C 2.867 178.811 176.117 -0.288 0.000 1.139 103 I CA 0.819 61.950 61.300 -0.282 0.000 1.438 103 I CB -0.448 37.288 38.000 -0.440 0.000 1.085 103 I HN 0.329 nan 8.210 nan 0.000 0.427 104 A N 1.311 123.995 122.820 -0.226 0.000 1.877 104 A HA -0.127 4.192 4.320 -0.001 0.000 0.216 104 A C 2.611 180.116 177.584 -0.131 0.000 1.186 104 A CA 1.810 53.744 52.037 -0.172 0.000 0.620 104 A CB -0.778 18.149 19.000 -0.121 0.000 0.822 104 A HN 0.402 nan 8.150 nan 0.000 0.443 105 A N -0.571 122.175 122.820 -0.123 0.000 1.908 105 A HA -0.213 4.106 4.320 -0.001 0.000 0.218 105 A C 2.105 179.659 177.584 -0.051 0.000 1.181 105 A CA 1.923 53.946 52.037 -0.023 0.000 0.627 105 A CB -0.460 18.531 19.000 -0.014 0.000 0.818 105 A HN 0.553 nan 8.150 nan 0.000 0.445 106 E N 0.209 120.296 120.200 -0.188 0.000 2.047 106 E HA -0.133 4.217 4.350 -0.001 0.000 0.191 106 E C 2.000 178.365 176.600 -0.392 0.000 0.987 106 E CA 1.209 57.294 56.400 -0.525 0.000 0.799 106 E CB -0.271 29.001 29.700 -0.713 0.000 0.752 106 E HN 0.663 nan 8.360 nan 0.000 0.449 107 I N 1.171 121.603 120.570 -0.230 0.000 2.208 107 I HA -0.296 3.873 4.170 -0.001 0.000 0.245 107 I C 2.662 178.721 176.117 -0.096 0.000 1.097 107 I CA 1.074 62.310 61.300 -0.106 0.000 1.363 107 I CB -0.506 37.435 38.000 -0.098 0.000 1.051 107 I HN 0.079 nan 8.210 nan 0.000 0.413 108 A N 0.136 122.905 122.820 -0.085 0.000 1.892 108 A HA -0.299 4.021 4.320 -0.001 0.000 0.218 108 A C 2.519 180.119 177.584 0.027 0.000 1.188 108 A CA 2.494 54.535 52.037 0.005 0.000 0.631 108 A CB -0.962 18.089 19.000 0.085 0.000 0.822 108 A HN 0.434 nan 8.150 nan 0.000 0.447 109 S N -0.726 114.904 115.700 -0.117 0.000 2.353 109 S HA -0.156 4.314 4.470 -0.001 0.000 0.222 109 S C 1.933 176.376 174.600 -0.262 0.000 1.035 109 S CA 1.866 59.838 58.200 -0.380 0.000 1.025 109 S CB -0.657 62.205 63.200 -0.562 0.000 0.902 109 S HN 0.341 nan 8.310 nan 0.000 0.440 110 V N 1.642 121.432 119.914 -0.206 0.000 2.332 110 V HA -0.131 3.988 4.120 -0.001 0.000 0.248 110 V C 2.399 178.510 176.094 0.028 0.000 1.055 110 V CA 1.652 63.898 62.300 -0.089 0.000 1.038 110 V CB -0.708 31.090 31.823 -0.042 0.000 0.651 110 V HN 0.430 nan 8.190 nan 0.000 0.450 111 L N 0.762 122.016 121.223 0.051 0.000 2.551 111 L HA 0.095 4.434 4.340 -0.001 0.000 0.228 111 L C 1.875 178.822 176.870 0.127 0.000 1.153 111 L CA 1.731 56.626 54.840 0.092 0.000 0.851 111 L CB -0.744 41.325 42.059 0.015 0.000 0.959 111 L HN 0.339 nan 8.230 nan 0.000 0.451 112 G N -2.992 105.890 108.800 0.136 0.000 3.519 112 G HA2 0.423 4.382 3.960 -0.001 0.000 0.269 112 G HA3 0.423 4.382 3.960 -0.001 0.000 0.269 112 G C 1.092 176.118 174.900 0.210 0.000 1.028 112 G CA 0.379 45.612 45.100 0.221 0.000 0.809 112 G HN 0.436 nan 8.290 nan 0.000 0.521 113 G N -0.735 108.153 108.800 0.148 0.000 2.232 113 G HA2 -0.060 3.899 3.960 -0.001 0.000 0.226 113 G HA3 -0.060 3.899 3.960 -0.001 0.000 0.226 113 G C 0.978 175.982 174.900 0.173 0.000 0.996 113 G CA 0.197 45.402 45.100 0.175 0.000 0.626 113 G HN 1.097 nan 8.290 nan 0.000 0.509 114 G N 1.108 109.918 108.800 0.017 0.000 2.631 114 G HA2 0.539 4.499 3.960 -0.001 0.000 0.271 114 G HA3 0.539 4.499 3.960 -0.001 0.000 0.271 114 G C -1.417 173.214 174.900 -0.448 0.000 1.302 114 G CA 0.101 44.975 45.100 -0.376 0.000 1.002 114 G HN 0.447 nan 8.290 nan 0.000 0.519 115 P HA 0.383 nan 4.420 nan 0.000 0.278 115 P C -0.018 177.170 177.300 -0.188 0.000 1.266 115 P CA -0.089 62.828 63.100 -0.305 0.000 0.807 115 P CB 1.668 33.188 31.700 -0.301 0.000 1.094 116 G N -0.576 108.173 108.800 -0.085 0.000 2.685 116 G HA2 0.794 4.753 3.960 -0.001 0.000 0.298 116 G HA3 0.794 4.753 3.960 -0.001 0.000 0.298 116 G C -1.966 172.951 174.900 0.027 0.000 1.277 116 G CA -0.938 44.016 45.100 -0.244 0.000 0.986 116 G HN 0.729 nan 8.290 nan 0.000 0.487 117 W N -1.857 119.423 121.300 -0.033 0.000 3.319 117 W HA 0.595 5.254 4.660 -0.001 0.000 0.300 117 W C -3.271 173.238 176.519 -0.017 0.000 1.244 117 W CA -2.271 55.055 57.345 -0.032 0.000 1.193 117 W CB -0.006 29.429 29.460 -0.043 0.000 1.359 117 W HN 0.485 nan 8.180 nan 0.000 0.568 118 P HA 0.216 nan 4.420 nan 0.000 0.276 118 P C -0.416 177.024 177.300 0.235 0.000 1.264 118 P CA -0.079 63.078 63.100 0.095 0.000 0.769 118 P CB 0.764 32.497 31.700 0.056 0.000 0.840 119 V N 7.304 127.337 119.914 0.200 0.000 2.427 119 V HA 0.174 4.293 4.120 -0.001 0.000 0.268 119 V C -1.660 174.563 176.094 0.215 0.000 1.046 119 V CA -1.549 60.921 62.300 0.284 0.000 0.970 119 V CB 0.433 32.437 31.823 0.301 0.000 1.001 119 V HN 0.530 nan 8.190 nan 0.000 0.476 120 P HA 0.345 nan 4.420 nan 0.000 0.276 120 P C -0.800 176.580 177.300 0.133 0.000 1.235 120 P CA -0.001 63.179 63.100 0.134 0.000 0.772 120 P CB 1.248 33.004 31.700 0.093 0.000 0.871 121 L N 1.396 122.704 121.223 0.141 0.000 2.256 121 L HA 0.762 5.101 4.340 -0.001 0.000 0.261 121 L C 1.225 177.984 176.870 -0.184 0.000 1.022 121 L CA -0.603 54.311 54.840 0.123 0.000 0.828 121 L CB 1.751 44.043 42.059 0.389 0.000 1.374 121 L HN 0.623 nan 8.230 nan 0.000 0.436 122 G N 0.082 108.638 108.800 -0.406 0.000 2.173 122 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.142 122 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.142 122 G C 0.012 174.567 174.900 -0.575 0.000 1.019 122 G CA -0.654 43.710 45.100 -1.227 0.000 0.699 122 G HN 0.460 nan 8.290 nan 0.000 0.495 123 R N 0.048 120.412 120.500 -0.226 0.000 2.637 123 R HA 0.734 5.073 4.340 -0.001 0.000 0.269 123 R C 0.391 176.657 176.300 -0.057 0.000 1.089 123 R CA -0.125 55.912 56.100 -0.104 0.000 1.177 123 R CB 0.567 30.853 30.300 -0.023 0.000 1.091 123 R HN 0.278 nan 8.270 nan 0.000 0.540 124 R N 0.554 121.040 120.500 -0.024 0.000 2.750 124 R HA 0.269 4.608 4.340 -0.001 0.000 0.281 124 R C -1.021 175.289 176.300 0.016 0.000 0.972 124 R CA -1.072 55.033 56.100 0.008 0.000 0.912 124 R CB 1.411 31.717 30.300 0.010 0.000 1.187 124 R HN 0.528 nan 8.270 nan 0.000 0.464 125 D N 1.185 121.601 120.400 0.027 0.000 2.368 125 D HA 0.032 4.671 4.640 -0.001 0.000 0.240 125 D C 0.611 176.922 176.300 0.018 0.000 1.169 125 D CA 0.335 54.349 54.000 0.023 0.000 0.906 125 D CB 0.921 41.738 40.800 0.029 0.000 1.187 125 D HN 0.524 nan 8.370 nan 0.000 0.435 126 S N -0.050 115.658 115.700 0.012 0.000 2.666 126 S HA 0.486 4.955 4.470 -0.001 0.000 0.279 126 S C 0.642 175.251 174.600 0.014 0.000 1.149 126 S CA -0.659 57.547 58.200 0.010 0.000 1.020 126 S CB 0.772 63.974 63.200 0.003 0.000 1.127 126 S HN 0.433 nan 8.310 nan 0.000 0.537 127 L N 0.181 121.412 121.223 0.013 0.000 3.217 127 L HA 0.313 4.652 4.340 -0.001 0.000 0.288 127 L C 0.503 177.382 176.870 0.016 0.000 1.202 127 L CA -0.112 54.739 54.840 0.018 0.000 1.027 127 L CB 0.491 42.562 42.059 0.019 0.000 1.427 127 L HN 0.982 nan 8.230 nan 0.000 0.600 128 T N -2.622 111.937 114.554 0.009 0.000 2.804 128 T HA 0.902 5.252 4.350 -0.001 0.000 0.290 128 T C -0.730 173.969 174.700 -0.001 0.000 1.099 128 T CA -0.362 61.742 62.100 0.006 0.000 1.011 128 T CB 2.847 71.717 68.868 0.003 0.000 1.291 128 T HN -0.001 nan 8.240 nan 0.000 0.523 129 A N 0.549 123.367 122.820 -0.003 0.000 2.594 129 A HA 0.821 5.140 4.320 -0.001 0.000 0.291 129 A C -1.445 176.134 177.584 -0.009 0.000 1.105 129 A CA -0.839 51.193 52.037 -0.009 0.000 0.694 129 A CB 1.654 20.646 19.000 -0.012 0.000 1.291 129 A HN 0.817 nan 8.150 nan 0.000 0.410 130 N N 0.263 118.955 118.700 -0.013 0.000 2.607 130 N HA 0.170 4.910 4.740 -0.001 0.000 0.271 130 N C 0.501 176.003 175.510 -0.014 0.000 1.142 130 N CA -0.372 52.671 53.050 -0.012 0.000 0.810 130 N CB 1.396 39.875 38.487 -0.014 0.000 1.306 130 N HN 0.797 nan 8.380 nan 0.000 0.536 131 R N 1.460 121.955 120.500 -0.009 0.000 2.070 131 R HA -0.066 4.273 4.340 -0.001 0.000 0.233 131 R C 0.897 177.192 176.300 -0.007 0.000 1.137 131 R CA 2.104 58.198 56.100 -0.009 0.000 0.945 131 R CB -0.114 30.184 30.300 -0.003 0.000 0.845 131 R HN 0.363 nan 8.270 nan 0.000 0.430 132 T N 2.058 116.611 114.554 -0.001 0.000 2.720 132 T HA -0.170 4.179 4.350 -0.001 0.000 0.268 132 T C 1.686 176.387 174.700 0.002 0.000 1.037 132 T CA 1.323 63.425 62.100 0.004 0.000 1.144 132 T CB -0.282 68.590 68.868 0.007 0.000 0.864 132 T HN 0.130 nan 8.240 nan 0.000 0.444 133 L N 1.524 122.744 121.223 -0.005 0.000 2.042 133 L HA -0.045 4.294 4.340 -0.001 0.000 0.210 133 L C 2.652 179.512 176.870 -0.016 0.000 1.076 133 L CA 1.955 56.789 54.840 -0.010 0.000 0.749 133 L CB -1.275 40.773 42.059 -0.017 0.000 0.893 133 L HN 0.255 nan 8.230 nan 0.000 0.432 134 A N -0.340 122.463 122.820 -0.028 0.000 1.884 134 A HA -0.295 4.025 4.320 -0.001 0.000 0.219 134 A C 2.085 179.642 177.584 -0.046 0.000 1.197 134 A CA 2.191 54.195 52.037 -0.054 0.000 0.637 134 A CB -0.908 18.058 19.000 -0.057 0.000 0.827 134 A HN 0.636 nan 8.150 nan 0.000 0.450 135 N N 0.265 118.956 118.700 -0.016 0.000 2.223 135 N HA -0.169 4.570 4.740 -0.001 0.000 0.185 135 N C 1.684 177.216 175.510 0.037 0.000 1.016 135 N CA 1.663 54.717 53.050 0.008 0.000 0.863 135 N CB -0.431 38.072 38.487 0.027 0.000 0.983 135 N HN 0.882 nan 8.380 nan 0.000 0.429 136 Q N -0.983 118.839 119.800 0.037 0.000 2.280 136 Q HA 0.227 4.566 4.340 -0.001 0.000 0.201 136 Q C 0.259 176.301 176.000 0.070 0.000 0.890 136 Q CA 0.344 56.186 55.803 0.065 0.000 0.947 136 Q CB 0.225 28.993 28.738 0.049 0.000 1.081 136 Q HN 0.134 nan 8.270 nan 0.000 0.502 137 N N 0.053 118.782 118.700 0.048 0.000 2.382 137 N HA 0.231 4.970 4.740 -0.001 0.000 0.200 137 N C -0.549 175.049 175.510 0.147 0.000 1.122 137 N CA 0.036 53.128 53.050 0.070 0.000 0.870 137 N CB 0.834 39.331 38.487 0.015 0.000 1.176 137 N HN 0.085 nan 8.380 nan 0.000 0.474 138 L N 3.294 124.532 121.223 0.025 0.000 2.281 138 L HA 0.369 4.708 4.340 -0.001 0.000 0.285 138 L C -1.931 174.914 176.870 -0.041 0.000 1.074 138 L CA -1.641 53.159 54.840 -0.067 0.000 0.817 138 L CB 0.761 42.606 42.059 -0.356 0.000 1.168 138 L HN 0.029 nan 8.230 nan 0.000 0.434 139 P HA 0.120 nan 4.420 nan 0.000 0.269 139 P C -0.891 176.066 177.300 -0.572 0.000 1.209 139 P CA -0.335 62.666 63.100 -0.166 0.000 0.776 139 P CB 1.238 33.045 31.700 0.178 0.000 0.876 140 A N 4.574 126.498 122.820 -1.494 0.000 2.306 140 A HA 0.529 4.848 4.320 -0.001 0.000 0.330 140 A C -1.364 175.630 177.584 -0.984 0.000 1.146 140 A CA -1.639 49.641 52.037 -1.261 0.000 0.827 140 A CB 0.400 18.347 19.000 -1.755 0.000 1.178 140 A HN 0.399 nan 8.150 nan 0.000 0.490 141 P HA -0.108 nan 4.420 nan 0.000 0.225 141 P C 0.604 177.915 177.300 0.019 0.000 1.148 141 P CA 1.127 64.158 63.100 -0.116 0.000 0.779 141 P CB -0.138 31.598 31.700 0.060 0.000 0.780 142 F N -2.882 117.149 119.950 0.135 0.000 2.664 142 F HA 0.382 4.909 4.527 -0.001 0.000 0.301 142 F C 0.637 176.676 175.800 0.399 0.000 1.126 142 F CA -1.646 56.498 58.000 0.240 0.000 1.373 142 F CB -1.502 37.613 39.000 0.192 0.000 1.042 142 F HN -0.305 nan 8.300 nan 0.000 0.535 143 F N 2.624 122.561 119.950 -0.021 0.000 2.418 143 F HA 0.191 4.717 4.527 -0.001 0.000 0.341 143 F C 0.892 176.755 175.800 0.105 0.000 1.120 143 F CA -1.293 56.731 58.000 0.041 0.000 1.232 143 F CB 0.718 39.704 39.000 -0.024 0.000 1.175 143 F HN 0.102 nan 8.300 nan 0.000 0.569 144 N N 1.849 120.686 118.700 0.228 0.000 2.447 144 N HA 0.146 4.885 4.740 -0.001 0.000 0.271 144 N C 0.561 176.149 175.510 0.130 0.000 1.226 144 N CA -0.685 52.462 53.050 0.161 0.000 0.980 144 N CB 0.544 39.093 38.487 0.103 0.000 1.206 144 N HN 0.693 nan 8.380 nan 0.000 0.558 145 L N -0.693 120.590 121.223 0.101 0.000 1.990 145 L HA -0.243 4.096 4.340 -0.001 0.000 0.213 145 L C 1.604 178.508 176.870 0.057 0.000 1.072 145 L CA 2.009 56.894 54.840 0.076 0.000 0.755 145 L CB -0.736 41.357 42.059 0.058 0.000 0.889 145 L HN 0.728 nan 8.230 nan 0.000 0.432 146 T N -0.775 113.802 114.554 0.039 0.000 2.665 146 T HA -0.307 4.042 4.350 -0.001 0.000 0.268 146 T C 1.737 176.446 174.700 0.015 0.000 1.035 146 T CA 1.839 63.952 62.100 0.021 0.000 1.151 146 T CB -0.336 68.535 68.868 0.006 0.000 0.862 146 T HN 0.466 nan 8.240 nan 0.000 0.438 147 Q N 0.446 120.236 119.800 -0.017 0.000 2.084 147 Q HA -0.007 4.333 4.340 -0.001 0.000 0.202 147 Q C 2.509 178.563 176.000 0.089 0.000 0.978 147 Q CA 1.130 56.879 55.803 -0.089 0.000 0.844 147 Q CB -0.475 28.036 28.738 -0.378 0.000 0.898 147 Q HN 0.480 nan 8.270 nan 0.000 0.426 148 L N 0.756 122.086 121.223 0.179 0.000 1.989 148 L HA -0.240 4.099 4.340 -0.001 0.000 0.211 148 L C 2.415 179.386 176.870 0.169 0.000 1.071 148 L CA 1.419 56.398 54.840 0.232 0.000 0.749 148 L CB -0.513 41.624 42.059 0.130 0.000 0.890 148 L HN 0.180 nan 8.230 nan 0.000 0.431 149 K N 0.025 120.478 120.400 0.088 0.000 2.074 149 K HA -0.227 4.093 4.320 -0.001 0.000 0.209 149 K C 2.186 178.878 176.600 0.154 0.000 1.048 149 K CA 1.620 57.960 56.287 0.088 0.000 0.926 149 K CB -0.326 32.206 32.500 0.054 0.000 0.713 149 K HN 0.336 nan 8.250 nan 0.000 0.444 150 A N 0.754 123.650 122.820 0.127 0.000 1.902 150 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 150 A C 2.212 179.894 177.584 0.164 0.000 1.181 150 A CA 1.996 54.100 52.037 0.111 0.000 0.623 150 A CB -0.625 18.409 19.000 0.057 0.000 0.818 150 A HN 0.293 nan 8.150 nan 0.000 0.443 151 S N -1.510 114.344 115.700 0.257 0.000 2.382 151 S HA -0.119 4.350 4.470 -0.001 0.000 0.228 151 S C 1.668 176.475 174.600 0.344 0.000 1.027 151 S CA 1.427 59.824 58.200 0.327 0.000 0.991 151 S CB -0.499 63.001 63.200 0.500 0.000 0.823 151 S HN 0.434 nan 8.310 nan 0.000 0.469 152 F N 1.848 121.900 119.950 0.170 0.000 2.259 152 F HA 0.235 4.762 4.527 -0.001 0.000 0.298 152 F C 2.495 178.306 175.800 0.019 0.000 1.088 152 F CA 0.345 58.432 58.000 0.145 0.000 1.358 152 F CB -1.000 38.118 39.000 0.196 0.000 1.040 152 F HN 0.274 nan 8.300 nan 0.000 0.505 153 A N -0.237 122.696 122.820 0.189 0.000 1.902 153 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 153 A C 2.375 179.954 177.584 -0.008 0.000 1.181 153 A CA 1.760 53.844 52.037 0.080 0.000 0.623 153 A CB -1.227 17.817 19.000 0.074 0.000 0.818 153 A HN 0.146 nan 8.150 nan 0.000 0.443 154 V N 0.315 120.211 119.914 -0.030 0.000 2.453 154 V HA -0.277 3.842 4.120 -0.001 0.000 0.252 154 V C 2.399 178.385 176.094 -0.180 0.000 1.068 154 V CA 2.080 64.326 62.300 -0.089 0.000 1.070 154 V CB -0.704 31.067 31.823 -0.088 0.000 0.664 154 V HN 0.593 nan 8.190 nan 0.000 0.461 155 Q N -0.433 119.189 119.800 -0.297 0.000 2.425 155 Q HA 0.188 4.527 4.340 -0.001 0.000 0.204 155 Q C 1.722 177.590 176.000 -0.220 0.000 0.933 155 Q CA 0.898 56.455 55.803 -0.410 0.000 0.939 155 Q CB 0.310 28.527 28.738 -0.868 0.000 1.044 155 Q HN 0.793 nan 8.270 nan 0.000 0.513 156 G N 0.920 109.649 108.800 -0.119 0.000 2.142 156 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.225 156 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.225 156 G C -0.270 174.623 174.900 -0.011 0.000 1.015 156 G CA -0.087 44.981 45.100 -0.053 0.000 0.716 156 G HN 0.227 nan 8.290 nan 0.000 0.508 157 L N 0.335 121.576 121.223 0.030 0.000 2.346 157 L HA 0.555 4.895 4.340 -0.001 0.000 0.274 157 L C 0.539 177.529 176.870 0.200 0.000 1.007 157 L CA -1.202 53.718 54.840 0.132 0.000 0.818 157 L CB 1.705 43.885 42.059 0.201 0.000 1.284 157 L HN 0.393 nan 8.230 nan 0.000 0.424 158 N N -0.571 118.232 118.700 0.172 0.000 2.495 158 N HA 0.259 4.998 4.740 -0.001 0.000 0.294 158 N C 0.596 176.189 175.510 0.139 0.000 1.276 158 N CA -0.591 52.541 53.050 0.136 0.000 0.973 158 N CB 0.178 38.716 38.487 0.085 0.000 1.143 158 N HN 0.427 nan 8.380 nan 0.000 0.589 159 T N -0.344 114.258 114.554 0.080 0.000 2.684 159 T HA -0.136 4.213 4.350 -0.001 0.000 0.267 159 T C 1.580 176.309 174.700 0.048 0.000 1.036 159 T CA 1.265 63.391 62.100 0.044 0.000 1.148 159 T CB -0.406 68.477 68.868 0.026 0.000 0.863 159 T HN 0.421 nan 8.240 nan 0.000 0.436 160 L N 1.853 123.111 121.223 0.059 0.000 2.012 160 L HA -0.118 4.221 4.340 -0.001 0.000 0.210 160 L C 1.876 178.831 176.870 0.142 0.000 1.073 160 L CA 1.931 56.815 54.840 0.073 0.000 0.748 160 L CB -0.959 41.140 42.059 0.066 0.000 0.891 160 L HN 0.093 nan 8.230 nan 0.000 0.431 161 D N -0.506 119.989 120.400 0.158 0.000 2.133 161 D HA -0.237 4.402 4.640 -0.001 0.000 0.195 161 D C 2.192 178.649 176.300 0.262 0.000 0.997 161 D CA 1.783 55.916 54.000 0.223 0.000 0.840 161 D CB -0.370 40.584 40.800 0.258 0.000 0.947 161 D HN 0.377 nan 8.370 nan 0.000 0.452 162 L N 0.507 121.802 121.223 0.120 0.000 1.970 162 L HA -0.130 4.209 4.340 -0.001 0.000 0.212 162 L C 2.322 179.144 176.870 -0.081 0.000 1.071 162 L CA 1.487 56.150 54.840 -0.295 0.000 0.751 162 L CB -0.808 40.938 42.059 -0.522 0.000 0.889 162 L HN -0.027 nan 8.230 nan 0.000 0.432 163 V N -0.913 119.034 119.914 0.054 0.000 2.594 163 V HA -0.260 3.859 4.120 -0.001 0.000 0.253 163 V C 2.306 178.641 176.094 0.402 0.000 1.069 163 V CA 2.408 64.828 62.300 0.199 0.000 1.082 163 V CB -0.444 31.483 31.823 0.172 0.000 0.680 163 V HN 0.735 nan 8.190 nan 0.000 0.469 164 T N 0.535 115.342 114.554 0.422 0.000 2.812 164 T HA -0.019 4.331 4.350 -0.001 0.000 0.264 164 T C 1.680 176.694 174.700 0.523 0.000 1.042 164 T CA 1.668 64.125 62.100 0.596 0.000 1.140 164 T CB -0.204 68.956 68.868 0.488 0.000 0.870 164 T HN 0.440 nan 8.240 nan 0.000 0.445 165 L N 0.994 122.410 121.223 0.321 0.000 2.478 165 L HA 0.068 4.407 4.340 -0.001 0.000 0.223 165 L C 2.460 179.346 176.870 0.027 0.000 1.140 165 L CA 0.428 55.409 54.840 0.234 0.000 0.842 165 L CB -0.375 41.764 42.059 0.134 0.000 0.953 165 L HN 0.179 nan 8.230 nan 0.000 0.452 166 S N 0.281 115.941 115.700 -0.066 0.000 2.474 166 S HA -0.063 4.407 4.470 -0.001 0.000 0.235 166 S C 2.070 176.162 174.600 -0.847 0.000 0.997 166 S CA 0.916 58.884 58.200 -0.386 0.000 0.949 166 S CB -0.230 62.880 63.200 -0.150 0.000 0.766 166 S HN 0.608 nan 8.310 nan 0.000 0.517 167 G N 1.490 109.968 108.800 -0.536 0.000 2.470 167 G HA2 -0.044 3.915 3.960 -0.001 0.000 0.220 167 G HA3 -0.044 3.915 3.960 -0.001 0.000 0.220 167 G C 1.371 175.860 174.900 -0.685 0.000 1.121 167 G CA 0.673 45.262 45.100 -0.852 0.000 0.766 167 G HN 0.552 nan 8.290 nan 0.000 0.553 168 G N -0.210 108.419 108.800 -0.286 0.000 2.499 168 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.221 168 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.221 168 G C 1.270 176.164 174.900 -0.010 0.000 1.109 168 G CA 0.667 45.743 45.100 -0.039 0.000 0.749 168 G HN 0.673 nan 8.290 nan 0.000 0.568 169 H N -0.600 118.301 119.070 -0.282 0.000 2.556 169 H HA 0.081 4.636 4.556 -0.001 0.000 0.273 169 H C 2.212 177.503 175.328 -0.061 0.000 1.030 169 H CA 0.347 56.343 56.048 -0.087 0.000 1.156 169 H CB 0.368 30.128 29.762 -0.004 0.000 1.326 169 H HN 0.298 nan 8.280 nan 0.000 0.609 170 T N 0.461 114.885 114.554 -0.216 0.000 3.163 170 T HA -0.001 4.348 4.350 -0.001 0.000 0.260 170 T C 0.197 174.902 174.700 0.008 0.000 1.156 170 T CA 0.201 62.163 62.100 -0.231 0.000 1.072 170 T CB -0.189 68.293 68.868 -0.643 0.000 0.937 170 T HN 0.443 nan 8.240 nan 0.000 0.528 171 F N -2.648 117.296 119.950 -0.010 0.000 2.741 171 F HA 0.596 5.123 4.527 -0.001 0.000 0.313 171 F C -0.032 175.807 175.800 0.066 0.000 1.153 171 F CA -0.787 57.237 58.000 0.040 0.000 0.931 171 F CB 0.844 39.889 39.000 0.075 0.000 1.335 171 F HN 0.175 nan 8.300 nan 0.000 0.460 172 G N 1.887 110.732 108.800 0.076 0.000 2.592 172 G HA2 0.240 4.199 3.960 -0.001 0.000 0.684 172 G HA3 0.240 4.199 3.960 -0.001 0.000 0.684 172 G C -2.028 172.880 174.900 0.013 0.000 1.291 172 G CA -1.112 43.958 45.100 -0.049 0.000 0.891 172 G HN 0.881 nan 8.290 nan 0.000 0.544 173 R N -0.627 119.870 120.500 -0.005 0.000 2.923 173 R HA 0.986 5.325 4.340 -0.001 0.000 0.252 173 R C 0.196 176.513 176.300 0.028 0.000 1.130 173 R CA 0.126 56.238 56.100 0.019 0.000 1.043 173 R CB 1.651 31.957 30.300 0.010 0.000 1.205 173 R HN 2.069 nan 8.270 nan 0.000 0.495 174 A N 0.739 123.601 122.820 0.071 0.000 2.532 174 A HA 0.533 4.852 4.320 -0.001 0.000 0.296 174 A C -1.152 176.506 177.584 0.123 0.000 1.058 174 A CA -0.853 51.244 52.037 0.101 0.000 0.729 174 A CB 1.088 20.176 19.000 0.147 0.000 1.285 174 A HN 0.579 nan 8.150 nan 0.000 0.396 175 R N 0.979 121.494 120.500 0.025 0.000 2.539 175 R HA 0.311 4.651 4.340 -0.001 0.000 0.275 175 R C 0.899 177.023 176.300 -0.294 0.000 1.077 175 R CA -0.236 55.825 56.100 -0.065 0.000 1.097 175 R CB 0.457 30.718 30.300 -0.064 0.000 1.018 175 R HN 0.789 nan 8.270 nan 0.000 0.483 176 c N 0.965 119.342 118.600 -0.373 0.000 2.363 176 c HA -0.242 4.327 4.570 -0.001 0.000 0.274 176 c C 2.845 176.455 174.090 -0.799 0.000 1.183 176 c CA 1.931 57.812 56.329 -0.747 0.000 1.771 176 c CB -1.082 41.243 42.510 -0.307 0.000 2.059 176 c HN 1.038 nan 8.230 nan 0.000 0.455 177 S N 1.028 116.503 115.700 -0.376 0.000 2.420 177 S HA -0.235 4.234 4.470 -0.001 0.000 0.237 177 S C 1.535 176.023 174.600 -0.187 0.000 1.023 177 S CA 2.175 60.240 58.200 -0.225 0.000 0.991 177 S CB -1.289 61.843 63.200 -0.113 0.000 0.792 177 S HN 0.844 nan 8.310 nan 0.000 0.488 178 T N -0.875 113.545 114.554 -0.223 0.000 3.051 178 T HA 0.046 4.395 4.350 -0.001 0.000 0.269 178 T C 1.101 175.861 174.700 0.100 0.000 1.127 178 T CA 0.886 62.971 62.100 -0.025 0.000 1.107 178 T CB -0.703 68.194 68.868 0.049 0.000 0.898 178 T HN 0.773 nan 8.240 nan 0.000 0.517 179 F N -1.998 118.005 119.950 0.087 0.000 2.975 179 F HA 0.538 5.064 4.527 -0.001 0.000 0.366 179 F C 1.246 177.105 175.800 0.098 0.000 1.071 179 F CA -1.680 56.376 58.000 0.094 0.000 1.102 179 F CB -0.471 38.559 39.000 0.048 0.000 1.176 179 F HN 0.054 nan 8.300 nan 0.000 0.545 180 I N 2.995 123.561 120.570 -0.007 0.000 2.399 180 I HA -0.362 3.808 4.170 -0.001 0.000 0.254 180 I C 2.417 178.678 176.117 0.241 0.000 1.146 180 I CA 2.187 63.566 61.300 0.132 0.000 1.412 180 I CB -0.279 37.717 38.000 -0.008 0.000 1.076 180 I HN 0.478 nan 8.210 nan 0.000 0.432 181 N N 2.449 121.280 118.700 0.219 0.000 2.348 181 N HA -0.269 4.470 4.740 -0.001 0.000 0.185 181 N C 1.445 177.181 175.510 0.376 0.000 1.019 181 N CA 1.579 54.783 53.050 0.256 0.000 0.880 181 N CB -0.514 38.100 38.487 0.212 0.000 0.965 181 N HN 0.586 nan 8.380 nan 0.000 0.437 182 R N -0.956 119.749 120.500 0.342 0.000 2.427 182 R HA 0.245 4.585 4.340 -0.001 0.000 0.262 182 R C 0.786 177.112 176.300 0.043 0.000 0.943 182 R CA -0.315 55.905 56.100 0.200 0.000 1.081 182 R CB 0.067 30.345 30.300 -0.036 0.000 1.166 182 R HN 0.045 nan 8.270 nan 0.000 0.534 183 L N -0.692 120.582 121.223 0.085 0.000 2.357 183 L HA 0.242 4.581 4.340 -0.001 0.000 0.211 183 L C 0.758 177.351 176.870 -0.461 0.000 1.075 183 L CA 1.320 56.054 54.840 -0.177 0.000 0.830 183 L CB 0.080 42.079 42.059 -0.100 0.000 0.996 183 L HN 0.088 nan 8.230 nan 0.000 0.467 184 Y N -3.298 117.048 120.300 0.077 0.000 2.912 184 Y HA 0.332 4.882 4.550 -0.001 0.000 0.250 184 Y C 0.820 176.769 175.900 0.082 0.000 1.073 184 Y CA -0.722 57.416 58.100 0.063 0.000 1.275 184 Y CB 0.245 38.731 38.460 0.044 0.000 1.470 184 Y HN -0.070 nan 8.280 nan 0.000 0.447 185 N N 0.564 119.429 118.700 0.274 0.000 2.716 185 N HA 0.146 4.885 4.740 -0.001 0.000 0.253 185 N C -1.892 173.745 175.510 0.211 0.000 1.170 185 N CA -0.378 52.788 53.050 0.194 0.000 0.807 185 N CB 0.042 38.606 38.487 0.129 0.000 1.183 185 N HN 0.029 nan 8.380 nan 0.000 0.524 186 F N 2.381 122.369 119.950 0.063 0.000 2.410 186 F HA 0.291 4.817 4.527 -0.001 0.000 0.348 186 F C 1.216 177.043 175.800 0.045 0.000 1.106 186 F CA 0.118 58.152 58.000 0.057 0.000 1.163 186 F CB 0.784 39.816 39.000 0.054 0.000 1.129 186 F HN 0.503 nan 8.300 nan 0.000 0.516 187 S N 3.655 119.076 115.700 -0.465 0.000 3.473 187 S HA -0.353 4.116 4.470 -0.001 0.000 0.339 187 S C 0.752 175.288 174.600 -0.107 0.000 1.148 187 S CA 1.198 59.214 58.200 -0.307 0.000 0.969 187 S CB -1.809 61.238 63.200 -0.255 0.000 0.936 187 S HN 0.995 nan 8.310 nan 0.000 0.530 188 N N -1.262 117.403 118.700 -0.060 0.000 2.800 188 N HA -0.213 4.526 4.740 -0.001 0.000 0.250 188 N C 0.828 176.347 175.510 0.015 0.000 1.078 188 N CA 2.264 55.304 53.050 -0.017 0.000 0.804 188 N CB -1.755 36.714 38.487 -0.031 0.000 1.135 188 N HN 0.869 nan 8.380 nan 0.000 0.565 189 T N -4.505 110.073 114.554 0.041 0.000 3.067 189 T HA 0.314 4.664 4.350 -0.001 0.000 0.261 189 T C 1.769 176.509 174.700 0.067 0.000 1.110 189 T CA 1.315 63.452 62.100 0.060 0.000 1.113 189 T CB -0.061 68.863 68.868 0.094 0.000 0.917 189 T HN 1.062 nan 8.240 nan 0.000 0.499 190 G N 1.476 110.323 108.800 0.079 0.000 2.179 190 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.260 190 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.260 190 G C -0.075 174.882 174.900 0.094 0.000 0.977 190 G CA 0.088 45.237 45.100 0.081 0.000 0.641 190 G HN 0.672 nan 8.290 nan 0.000 0.533 191 N N 0.745 119.507 118.700 0.104 0.000 2.292 191 N HA 0.543 5.282 4.740 -0.001 0.000 0.303 191 N C -3.039 172.533 175.510 0.103 0.000 1.140 191 N CA -1.470 51.631 53.050 0.086 0.000 0.788 191 N CB 2.014 40.538 38.487 0.063 0.000 1.361 191 N HN -0.045 nan 8.380 nan 0.000 0.489 192 P HA -0.048 nan 4.420 nan 0.000 0.268 192 P C -0.319 176.933 177.300 -0.078 0.000 1.208 192 P CA 0.070 63.154 63.100 -0.026 0.000 0.777 192 P CB 0.431 32.074 31.700 -0.095 0.000 0.875 193 D N 3.241 123.473 120.400 -0.281 0.000 2.472 193 D HA -0.026 4.613 4.640 -0.001 0.000 0.248 193 D C -1.159 174.967 176.300 -0.291 0.000 1.174 193 D CA -1.621 52.004 54.000 -0.625 0.000 0.883 193 D CB 0.188 40.334 40.800 -1.090 0.000 1.149 193 D HN 0.232 nan 8.370 nan 0.000 0.488 194 P HA -0.095 nan 4.420 nan 0.000 0.236 194 P C 0.545 177.793 177.300 -0.087 0.000 1.172 194 P CA 0.804 63.851 63.100 -0.088 0.000 0.759 194 P CB -0.100 31.580 31.700 -0.033 0.000 0.843 195 T N -3.646 110.831 114.554 -0.128 0.000 3.134 195 T HA 0.297 4.646 4.350 -0.001 0.000 0.260 195 T C 0.230 174.887 174.700 -0.071 0.000 1.027 195 T CA -0.520 61.533 62.100 -0.079 0.000 0.913 195 T CB -0.393 68.437 68.868 -0.064 0.000 1.046 195 T HN -0.081 nan 8.240 nan 0.000 0.553 196 L N 2.387 123.554 121.223 -0.093 0.000 2.296 196 L HA 0.527 4.867 4.340 -0.001 0.000 0.286 196 L C -0.213 176.641 176.870 -0.028 0.000 1.023 196 L CA -0.908 53.895 54.840 -0.061 0.000 0.812 196 L CB 1.198 43.194 42.059 -0.106 0.000 1.223 196 L HN 0.092 nan 8.230 nan 0.000 0.421 197 N N 2.815 121.525 118.700 0.015 0.000 2.292 197 N HA -0.107 4.632 4.740 -0.001 0.000 0.258 197 N C 0.472 175.996 175.510 0.023 0.000 1.261 197 N CA 0.980 54.043 53.050 0.022 0.000 0.845 197 N CB 1.005 39.511 38.487 0.032 0.000 1.064 197 N HN 0.848 nan 8.380 nan 0.000 0.471 198 T N 2.532 117.086 114.554 -0.000 0.000 2.867 198 T HA -0.092 4.257 4.350 -0.001 0.000 0.268 198 T C 1.631 176.332 174.700 0.002 0.000 1.057 198 T CA 1.635 63.728 62.100 -0.012 0.000 1.136 198 T CB -0.102 68.756 68.868 -0.017 0.000 0.874 198 T HN 0.585 nan 8.240 nan 0.000 0.466 199 T N 1.071 115.639 114.554 0.023 0.000 2.737 199 T HA -0.081 4.269 4.350 -0.001 0.000 0.265 199 T C 1.640 176.391 174.700 0.085 0.000 1.038 199 T CA 0.904 63.025 62.100 0.035 0.000 1.144 199 T CB -0.480 68.403 68.868 0.024 0.000 0.866 199 T HN 0.324 nan 8.240 nan 0.000 0.434 200 Y N 1.984 122.243 120.300 -0.068 0.000 2.224 200 Y HA -0.025 4.524 4.550 -0.001 0.000 0.289 200 Y C 2.100 177.949 175.900 -0.084 0.000 1.146 200 Y CA 0.166 58.218 58.100 -0.081 0.000 1.182 200 Y CB -0.832 37.565 38.460 -0.104 0.000 0.983 200 Y HN 0.111 nan 8.280 nan 0.000 0.524 201 L N 0.423 121.621 121.223 -0.042 0.000 2.263 201 L HA -0.180 4.159 4.340 -0.001 0.000 0.216 201 L C 1.857 178.644 176.870 -0.137 0.000 1.111 201 L CA 1.871 56.625 54.840 -0.143 0.000 0.773 201 L CB -0.555 41.438 42.059 -0.110 0.000 0.906 201 L HN 0.127 nan 8.230 nan 0.000 0.439 202 E N -0.583 119.573 120.200 -0.073 0.000 2.045 202 E HA -0.030 4.319 4.350 -0.001 0.000 0.190 202 E C 2.294 178.868 176.600 -0.043 0.000 0.968 202 E CA 1.440 57.810 56.400 -0.051 0.000 0.813 202 E CB -0.788 28.901 29.700 -0.018 0.000 0.780 202 E HN 0.377 nan 8.360 nan 0.000 0.455 203 V N 2.253 122.154 119.914 -0.021 0.000 2.317 203 V HA -0.276 3.844 4.120 -0.001 0.000 0.251 203 V C 2.603 178.664 176.094 -0.056 0.000 1.065 203 V CA 1.630 63.926 62.300 -0.006 0.000 1.049 203 V CB -0.824 31.037 31.823 0.063 0.000 0.651 203 V HN 0.152 nan 8.190 nan 0.000 0.450 204 L N -0.731 120.392 121.223 -0.168 0.000 2.056 204 L HA -0.126 4.213 4.340 -0.001 0.000 0.207 204 L C 2.799 179.656 176.870 -0.022 0.000 1.078 204 L CA 1.566 56.304 54.840 -0.170 0.000 0.749 204 L CB -0.544 41.291 42.059 -0.374 0.000 0.901 204 L HN 0.184 nan 8.230 nan 0.000 0.433 205 R N -0.222 120.251 120.500 -0.045 0.000 2.193 205 R HA -0.115 4.224 4.340 -0.001 0.000 0.229 205 R C 2.343 178.696 176.300 0.089 0.000 1.110 205 R CA 1.012 57.133 56.100 0.035 0.000 0.988 205 R CB -0.340 29.930 30.300 -0.049 0.000 0.871 205 R HN 0.375 nan 8.270 nan 0.000 0.458 206 A N 0.926 123.771 122.820 0.042 0.000 1.841 206 A HA -0.147 4.173 4.320 -0.001 0.000 0.214 206 A C 2.070 179.686 177.584 0.053 0.000 1.195 206 A CA 1.100 53.164 52.037 0.045 0.000 0.611 206 A CB -0.367 18.650 19.000 0.028 0.000 0.835 206 A HN 0.161 nan 8.150 nan 0.000 0.443 207 R N -1.520 119.011 120.500 0.052 0.000 2.148 207 R HA -0.059 4.280 4.340 -0.001 0.000 0.227 207 R C -0.399 175.945 176.300 0.074 0.000 1.103 207 R CA 1.103 57.240 56.100 0.061 0.000 0.983 207 R CB -0.224 30.118 30.300 0.070 0.000 0.874 207 R HN 0.523 nan 8.270 nan 0.000 0.451 208 c N 1.176 119.837 118.600 0.103 0.000 2.647 208 c HA 0.417 4.987 4.570 -0.001 0.000 0.273 208 c C -2.159 172.022 174.090 0.153 0.000 1.088 208 c CA -2.081 54.312 56.329 0.107 0.000 1.529 208 c CB 0.822 43.411 42.510 0.132 0.000 1.810 208 c HN 0.260 nan 8.230 nan 0.000 0.422 209 P HA -0.039 nan 4.420 nan 0.000 0.282 209 P C 0.529 177.783 177.300 -0.076 0.000 1.273 209 P CA 0.330 63.465 63.100 0.058 0.000 0.809 209 P CB 0.541 32.242 31.700 0.002 0.000 1.246 210 Q N -0.653 118.995 119.800 -0.254 0.000 2.247 210 Q HA 0.131 4.470 4.340 -0.001 0.000 0.204 210 Q C -0.677 175.150 176.000 -0.290 0.000 0.872 210 Q CA 0.149 55.608 55.803 -0.573 0.000 0.951 210 Q CB 0.026 28.339 28.738 -0.708 0.000 1.099 210 Q HN 0.278 nan 8.270 nan 0.000 0.501 211 N N -0.563 118.038 118.700 -0.164 0.000 5.698 211 N HA 0.148 4.887 4.740 -0.001 0.000 0.140 211 N C -2.056 173.414 175.510 -0.066 0.000 1.032 211 N CA 0.440 53.427 53.050 -0.105 0.000 1.114 211 N CB 0.752 39.181 38.487 -0.097 0.000 1.506 211 N HN 0.130 nan 8.380 nan 0.000 1.091 212 A N 1.384 124.173 122.820 -0.052 0.000 2.686 212 A HA 0.735 5.055 4.320 -0.001 0.000 0.263 212 A C 0.450 178.016 177.584 -0.031 0.000 1.264 212 A CA -0.154 51.863 52.037 -0.033 0.000 0.799 212 A CB 0.429 19.415 19.000 -0.024 0.000 1.363 212 A HN 0.354 nan 8.150 nan 0.000 0.507 213 T N 0.486 115.026 114.554 -0.023 0.000 3.235 213 T HA 0.518 4.867 4.350 -0.001 0.000 0.251 213 T C 0.400 175.087 174.700 -0.021 0.000 1.060 213 T CA 0.767 62.855 62.100 -0.021 0.000 0.949 213 T CB -0.561 68.298 68.868 -0.015 0.000 1.020 213 T HN 1.755 nan 8.240 nan 0.000 0.564 214 G N 0.251 109.036 108.800 -0.026 0.000 2.356 214 G HA2 0.204 4.163 3.960 -0.001 0.000 0.300 214 G HA3 0.204 4.163 3.960 -0.001 0.000 0.300 214 G C -2.292 172.588 174.900 -0.034 0.000 1.331 214 G CA -0.996 44.087 45.100 -0.028 0.000 0.905 214 G HN -0.006 nan 8.290 nan 0.000 0.587 215 D N 1.406 121.784 120.400 -0.037 0.000 2.325 215 D HA 0.290 4.929 4.640 -0.001 0.000 0.251 215 D C 0.199 176.480 176.300 -0.032 0.000 1.196 215 D CA 0.018 53.989 54.000 -0.049 0.000 0.866 215 D CB 0.552 41.319 40.800 -0.054 0.000 1.101 215 D HN 0.312 nan 8.370 nan 0.000 0.476 216 N N 2.240 120.924 118.700 -0.028 0.000 2.476 216 N HA 0.321 5.061 4.740 -0.001 0.000 0.275 216 N C -0.212 175.305 175.510 0.013 0.000 1.190 216 N CA -0.553 52.496 53.050 -0.001 0.000 0.977 216 N CB 1.366 39.862 38.487 0.015 0.000 1.200 216 N HN 0.182 nan 8.380 nan 0.000 0.515 217 L N -0.016 121.226 121.223 0.032 0.000 2.344 217 L HA 0.530 4.869 4.340 -0.001 0.000 0.272 217 L C 0.678 177.600 176.870 0.087 0.000 1.035 217 L CA -0.135 54.737 54.840 0.053 0.000 0.807 217 L CB 1.579 43.658 42.059 0.033 0.000 1.237 217 L HN 0.593 nan 8.230 nan 0.000 0.442 218 T N 1.025 115.653 114.554 0.123 0.000 2.982 218 T HA 0.423 4.772 4.350 -0.001 0.000 0.321 218 T C -0.953 173.810 174.700 0.104 0.000 1.229 218 T CA -0.894 61.282 62.100 0.127 0.000 1.044 218 T CB 0.746 69.725 68.868 0.185 0.000 1.184 218 T HN 0.511 nan 8.240 nan 0.000 0.477 219 N N 3.524 122.272 118.700 0.080 0.000 2.492 219 N HA 0.158 4.897 4.740 -0.001 0.000 0.260 219 N C 1.285 176.831 175.510 0.061 0.000 1.215 219 N CA -0.119 52.971 53.050 0.068 0.000 0.923 219 N CB 0.985 39.509 38.487 0.062 0.000 1.092 219 N HN 0.562 nan 8.380 nan 0.000 0.448 220 L N 0.142 121.397 121.223 0.054 0.000 2.313 220 L HA -0.017 4.322 4.340 -0.001 0.000 0.214 220 L C 0.468 177.367 176.870 0.048 0.000 1.119 220 L CA 0.897 55.758 54.840 0.035 0.000 0.809 220 L CB -0.040 42.032 42.059 0.022 0.000 0.933 220 L HN 0.467 nan 8.230 nan 0.000 0.449 221 D N -0.397 120.032 120.400 0.048 0.000 2.389 221 D HA 0.208 4.847 4.640 -0.001 0.000 0.256 221 D C 0.739 177.024 176.300 -0.025 0.000 1.239 221 D CA -0.520 53.480 54.000 0.000 0.000 0.925 221 D CB 1.069 41.884 40.800 0.025 0.000 1.145 221 D HN -0.095 nan 8.370 nan 0.000 0.542 222 L N 1.346 122.519 121.223 -0.084 0.000 2.450 222 L HA 0.094 4.433 4.340 -0.001 0.000 0.224 222 L C 1.535 178.350 176.870 -0.092 0.000 1.149 222 L CA 0.962 55.747 54.840 -0.093 0.000 0.816 222 L CB -1.450 40.472 42.059 -0.229 0.000 0.932 222 L HN 0.129 nan 8.230 nan 0.000 0.449 223 S N 0.050 115.690 115.700 -0.099 0.000 2.315 223 S HA 0.025 4.494 4.470 -0.001 0.000 0.211 223 S C 1.197 175.776 174.600 -0.035 0.000 1.029 223 S CA 1.155 59.308 58.200 -0.079 0.000 0.956 223 S CB -0.385 62.756 63.200 -0.098 0.000 0.918 223 S HN 0.686 nan 8.310 nan 0.000 0.470 224 T N -0.440 114.102 114.554 -0.020 0.000 3.390 224 T HA 0.431 4.780 4.350 -0.001 0.000 0.351 224 T C -2.574 172.157 174.700 0.052 0.000 1.759 224 T CA -1.620 60.490 62.100 0.017 0.000 1.561 224 T CB 1.069 69.948 68.868 0.019 0.000 1.011 224 T HN -0.094 nan 8.240 nan 0.000 0.689 225 P HA -0.152 nan 4.420 nan 0.000 0.219 225 P C 0.748 178.130 177.300 0.137 0.000 1.151 225 P CA 1.368 64.518 63.100 0.083 0.000 0.850 225 P CB 0.144 31.878 31.700 0.056 0.000 0.784 226 D N -3.311 117.176 120.400 0.145 0.000 2.500 226 D HA 0.063 4.702 4.640 -0.001 0.000 0.217 226 D C 0.535 177.010 176.300 0.292 0.000 1.159 226 D CA 0.124 54.244 54.000 0.200 0.000 0.828 226 D CB 0.292 41.162 40.800 0.118 0.000 1.039 226 D HN 0.245 nan 8.370 nan 0.000 0.512 227 Q N 0.355 120.288 119.800 0.221 0.000 2.256 227 Q HA 0.265 4.604 4.340 -0.001 0.000 0.257 227 Q C -1.085 175.011 176.000 0.161 0.000 0.936 227 Q CA -0.637 55.293 55.803 0.212 0.000 0.903 227 Q CB 1.280 30.105 28.738 0.144 0.000 1.263 227 Q HN -0.084 nan 8.270 nan 0.000 0.440 228 F N 5.199 125.165 119.950 0.025 0.000 2.439 228 F HA 0.206 4.733 4.527 -0.001 0.000 0.356 228 F C -0.852 175.004 175.800 0.092 0.000 1.161 228 F CA 0.111 58.026 58.000 -0.141 0.000 1.151 228 F CB 0.145 38.982 39.000 -0.272 0.000 1.222 228 F HN 0.600 nan 8.300 nan 0.000 0.558 229 D N 1.397 121.744 120.400 -0.088 0.000 2.615 229 D HA 0.121 4.760 4.640 -0.001 0.000 0.267 229 D C -0.333 175.938 176.300 -0.049 0.000 1.236 229 D CA -0.982 53.099 54.000 0.136 0.000 0.839 229 D CB 0.352 41.205 40.800 0.088 0.000 1.380 229 D HN 0.427 nan 8.370 nan 0.000 0.433 230 N N -0.529 118.172 118.700 0.003 0.000 2.551 230 N HA -0.113 4.627 4.740 -0.001 0.000 0.199 230 N C 0.612 176.061 175.510 -0.101 0.000 1.277 230 N CA -0.422 52.545 53.050 -0.138 0.000 0.870 230 N CB 0.110 38.560 38.487 -0.062 0.000 1.028 230 N HN 0.074 nan 8.380 nan 0.000 0.452 231 R N 0.389 120.817 120.500 -0.121 0.000 2.120 231 R HA -0.189 4.150 4.340 -0.001 0.000 0.234 231 R C 1.485 177.683 176.300 -0.170 0.000 1.123 231 R CA 0.912 56.940 56.100 -0.120 0.000 0.975 231 R CB -1.321 28.918 30.300 -0.101 0.000 0.866 231 R HN 0.536 nan 8.270 nan 0.000 0.446 232 Y N 0.571 120.638 120.300 -0.389 0.000 2.193 232 Y HA -0.300 4.250 4.550 -0.001 0.000 0.285 232 Y C 1.598 177.182 175.900 -0.527 0.000 1.166 232 Y CA 1.516 59.320 58.100 -0.493 0.000 1.181 232 Y CB -0.436 37.611 38.460 -0.688 0.000 0.976 232 Y HN 0.041 nan 8.280 nan 0.000 0.520 233 Y N -0.960 119.239 120.300 -0.169 0.000 2.365 233 Y HA -0.095 4.454 4.550 -0.001 0.000 0.293 233 Y C 2.642 178.360 175.900 -0.304 0.000 1.119 233 Y CA 1.009 58.975 58.100 -0.223 0.000 1.203 233 Y CB -0.300 38.091 38.460 -0.115 0.000 1.026 233 Y HN 0.041 nan 8.280 nan 0.000 0.549 234 S N 0.222 115.843 115.700 -0.132 0.000 2.368 234 S HA -0.169 4.300 4.470 -0.001 0.000 0.224 234 S C 1.705 176.155 174.600 -0.250 0.000 1.029 234 S CA 1.178 59.274 58.200 -0.173 0.000 0.988 234 S CB -0.339 62.782 63.200 -0.131 0.000 0.838 234 S HN 0.509 nan 8.310 nan 0.000 0.462 235 N N 2.065 120.592 118.700 -0.290 0.000 2.149 235 N HA -0.042 4.697 4.740 -0.001 0.000 0.188 235 N C 1.628 176.937 175.510 -0.335 0.000 1.019 235 N CA 0.900 53.760 53.050 -0.318 0.000 0.857 235 N CB -0.579 37.692 38.487 -0.360 0.000 0.997 235 N HN 0.390 nan 8.380 nan 0.000 0.426 236 L N 0.115 121.093 121.223 -0.409 0.000 2.083 236 L HA -0.116 4.223 4.340 -0.001 0.000 0.209 236 L C 1.814 178.409 176.870 -0.458 0.000 1.083 236 L CA 0.604 55.210 54.840 -0.390 0.000 0.752 236 L CB -0.440 41.369 42.059 -0.416 0.000 0.899 236 L HN 0.081 nan 8.230 nan 0.000 0.433 237 L N -0.546 120.326 121.223 -0.586 0.000 2.191 237 L HA -0.146 4.194 4.340 -0.001 0.000 0.212 237 L C 1.979 178.750 176.870 -0.165 0.000 1.103 237 L CA 1.502 56.019 54.840 -0.539 0.000 0.769 237 L CB -0.690 41.121 42.059 -0.413 0.000 0.908 237 L HN 0.301 nan 8.230 nan 0.000 0.438 238 Q N -0.649 119.052 119.800 -0.165 0.000 2.189 238 Q HA 0.265 4.604 4.340 -0.001 0.000 0.221 238 Q C 0.265 176.214 176.000 -0.086 0.000 0.848 238 Q CA -0.354 55.389 55.803 -0.100 0.000 1.007 238 Q CB 0.389 29.053 28.738 -0.124 0.000 1.116 238 Q HN 0.235 nan 8.270 nan 0.000 0.481 239 L N -0.156 121.030 121.223 -0.062 0.000 3.737 239 L HA -0.299 4.041 4.340 -0.001 0.000 0.418 239 L C -0.129 176.698 176.870 -0.073 0.000 1.216 239 L CA 0.823 55.641 54.840 -0.036 0.000 0.915 239 L CB -2.463 39.597 42.059 0.000 0.000 1.834 239 L HN 0.219 nan 8.230 nan 0.000 0.943 240 N N -0.421 118.180 118.700 -0.164 0.000 2.279 240 N HA 0.370 5.109 4.740 -0.001 0.000 0.226 240 N C 1.048 176.428 175.510 -0.217 0.000 1.126 240 N CA 0.489 53.385 53.050 -0.257 0.000 0.846 240 N CB 0.703 38.918 38.487 -0.453 0.000 1.050 240 N HN 0.483 nan 8.380 nan 0.000 0.502 241 G N 0.394 109.102 108.800 -0.153 0.000 2.364 241 G HA2 0.153 4.112 3.960 -0.001 0.000 0.267 241 G HA3 0.153 4.112 3.960 -0.001 0.000 0.267 241 G C 0.915 175.786 174.900 -0.048 0.000 1.233 241 G CA -0.408 44.594 45.100 -0.162 0.000 0.885 241 G HN 0.172 nan 8.290 nan 0.000 0.490 242 L N 3.510 124.706 121.223 -0.044 0.000 1.988 242 L HA 0.192 4.531 4.340 -0.001 0.000 0.207 242 L C 1.504 178.291 176.870 -0.137 0.000 1.071 242 L CA 1.327 56.089 54.840 -0.130 0.000 0.744 242 L CB -0.532 41.421 42.059 -0.178 0.000 0.893 242 L HN 0.457 nan 8.230 nan 0.000 0.433 243 L N -0.242 120.980 121.223 -0.001 0.000 2.439 243 L HA 0.081 4.420 4.340 -0.001 0.000 0.261 243 L C 1.534 178.476 176.870 0.119 0.000 1.153 243 L CA 0.087 54.991 54.840 0.107 0.000 0.808 243 L CB 0.613 42.765 42.059 0.154 0.000 1.126 243 L HN 0.285 nan 8.230 nan 0.000 0.460 244 Q N 0.715 120.619 119.800 0.174 0.000 2.119 244 Q HA -0.173 4.167 4.340 -0.001 0.000 0.201 244 Q C 1.889 177.995 176.000 0.175 0.000 0.972 244 Q CA 1.954 57.867 55.803 0.184 0.000 0.847 244 Q CB 0.146 29.056 28.738 0.286 0.000 0.903 244 Q HN 0.866 nan 8.270 nan 0.000 0.433 245 S N -0.374 115.436 115.700 0.183 0.000 2.515 245 S HA -0.080 4.389 4.470 -0.001 0.000 0.231 245 S C 1.097 175.798 174.600 0.169 0.000 0.987 245 S CA 0.787 59.091 58.200 0.173 0.000 0.936 245 S CB 0.065 63.362 63.200 0.161 0.000 0.766 245 S HN 0.334 nan 8.310 nan 0.000 0.528 246 D N 1.617 122.122 120.400 0.176 0.000 2.106 246 D HA -0.044 4.595 4.640 -0.001 0.000 0.203 246 D C 2.098 178.444 176.300 0.076 0.000 0.977 246 D CA 1.210 55.310 54.000 0.166 0.000 0.844 246 D CB -0.528 40.349 40.800 0.128 0.000 1.002 246 D HN 0.368 nan 8.370 nan 0.000 0.461 247 Q N 1.348 121.175 119.800 0.046 0.000 2.096 247 Q HA -0.168 4.171 4.340 -0.001 0.000 0.204 247 Q C 1.684 177.747 176.000 0.104 0.000 0.982 247 Q CA 1.466 57.299 55.803 0.049 0.000 0.850 247 Q CB -0.237 28.518 28.738 0.029 0.000 0.901 247 Q HN 0.308 nan 8.270 nan 0.000 0.422 248 E N -0.447 119.817 120.200 0.107 0.000 2.273 248 E HA -0.197 4.152 4.350 -0.001 0.000 0.198 248 E C 1.698 178.364 176.600 0.110 0.000 1.002 248 E CA 0.974 57.439 56.400 0.108 0.000 0.828 248 E CB -0.208 29.565 29.700 0.123 0.000 0.747 248 E HN 0.418 nan 8.360 nan 0.000 0.491 249 L N -0.731 120.573 121.223 0.136 0.000 2.275 249 L HA -0.109 4.230 4.340 -0.001 0.000 0.215 249 L C 1.992 178.988 176.870 0.210 0.000 1.119 249 L CA 0.647 55.579 54.840 0.153 0.000 0.790 249 L CB -0.083 42.085 42.059 0.182 0.000 0.919 249 L HN 0.146 nan 8.230 nan 0.000 0.443 250 F N -0.979 118.981 119.950 0.017 0.000 2.592 250 F HA 0.135 4.662 4.527 -0.001 0.000 0.280 250 F C 1.971 177.769 175.800 -0.003 0.000 1.083 250 F CA 0.160 58.161 58.000 0.002 0.000 1.365 250 F CB 0.339 39.331 39.000 -0.014 0.000 1.100 250 F HN -0.227 nan 8.300 nan 0.000 0.633 251 S N 0.174 115.896 115.700 0.036 0.000 2.685 251 S HA 0.142 4.612 4.470 -0.001 0.000 0.240 251 S C 0.140 174.711 174.600 -0.049 0.000 0.967 251 S CA 0.083 58.242 58.200 -0.068 0.000 1.009 251 S CB -0.547 62.662 63.200 0.015 0.000 0.776 251 S HN 0.122 nan 8.310 nan 0.000 0.467 252 T N 5.582 120.108 114.554 -0.047 0.000 2.929 252 T HA 0.240 4.590 4.350 -0.001 0.000 0.331 252 T C -2.508 172.162 174.700 -0.051 0.000 1.120 252 T CA -1.521 60.568 62.100 -0.019 0.000 0.973 252 T CB 0.658 69.534 68.868 0.015 0.000 1.036 252 T HN 0.142 nan 8.240 nan 0.000 0.502 253 P HA 0.101 nan 4.420 nan 0.000 0.257 253 P C 0.961 178.235 177.300 -0.043 0.000 1.162 253 P CA 0.949 64.012 63.100 -0.062 0.000 0.762 253 P CB 0.491 32.165 31.700 -0.043 0.000 0.753 254 G N 2.409 111.178 108.800 -0.052 0.000 2.981 254 G HA2 0.070 4.029 3.960 -0.001 0.000 0.199 254 G HA3 0.070 4.029 3.960 -0.001 0.000 0.199 254 G C 0.446 175.323 174.900 -0.038 0.000 1.586 254 G CA 0.692 45.770 45.100 -0.035 0.000 1.162 254 G HN 0.903 nan 8.290 nan 0.000 0.538 255 A N -0.185 122.613 122.820 -0.036 0.000 5.327 255 A HA 0.203 4.522 4.320 -0.001 0.000 0.280 255 A C 1.585 179.162 177.584 -0.011 0.000 2.126 255 A CA 3.388 55.408 52.037 -0.028 0.000 0.716 255 A CB -1.271 17.700 19.000 -0.048 0.000 1.154 255 A HN 2.703 nan 8.150 nan 0.000 0.349 256 D N -5.118 115.275 120.400 -0.012 0.000 1.611 256 D HA -0.164 4.475 4.640 -0.001 0.000 0.244 256 D C 1.056 177.351 176.300 -0.009 0.000 0.894 256 D CA 3.035 57.030 54.000 -0.009 0.000 1.202 256 D CB -1.812 38.987 40.800 -0.003 0.000 1.451 256 D HN 1.820 nan 8.370 nan 0.000 0.753 257 T N -0.666 113.891 114.554 0.005 0.000 3.057 257 T HA 0.305 4.654 4.350 -0.001 0.000 0.254 257 T C 2.273 176.994 174.700 0.035 0.000 1.094 257 T CA 0.705 62.813 62.100 0.013 0.000 1.088 257 T CB -0.277 68.616 68.868 0.041 0.000 0.934 257 T HN 0.409 nan 8.240 nan 0.000 0.497 258 I N 2.655 123.255 120.570 0.050 0.000 2.118 258 I HA -0.109 4.060 4.170 -0.001 0.000 0.241 258 I C -0.163 176.005 176.117 0.086 0.000 1.070 258 I CA 1.521 62.889 61.300 0.115 0.000 1.327 258 I CB -1.125 36.884 38.000 0.015 0.000 1.034 258 I HN 0.227 nan 8.210 nan 0.000 0.405 259 P HA -0.180 nan 4.420 nan 0.000 0.218 259 P C 1.811 179.056 177.300 -0.091 0.000 1.148 259 P CA 1.799 64.887 63.100 -0.020 0.000 0.822 259 P CB -0.157 31.522 31.700 -0.034 0.000 0.784 260 I N -0.807 119.676 120.570 -0.145 0.000 2.252 260 I HA -0.157 4.013 4.170 -0.001 0.000 0.245 260 I C 2.564 178.434 176.117 -0.411 0.000 1.102 260 I CA 1.038 62.127 61.300 -0.352 0.000 1.385 260 I CB -0.842 36.953 38.000 -0.342 0.000 1.064 260 I HN -0.191 nan 8.210 nan 0.000 0.414 261 V N 1.409 121.239 119.914 -0.139 0.000 2.343 261 V HA -0.289 3.830 4.120 -0.001 0.000 0.247 261 V C 2.030 178.078 176.094 -0.077 0.000 1.051 261 V CA 2.280 64.557 62.300 -0.039 0.000 1.036 261 V CB -1.042 30.861 31.823 0.133 0.000 0.654 261 V HN 0.470 nan 8.190 nan 0.000 0.451 262 N N -0.071 118.611 118.700 -0.030 0.000 2.043 262 N HA -0.216 4.523 4.740 -0.001 0.000 0.193 262 N C 2.120 177.601 175.510 -0.048 0.000 1.037 262 N CA 1.566 54.604 53.050 -0.020 0.000 0.851 262 N CB -0.285 38.224 38.487 0.038 0.000 1.027 262 N HN 0.381 nan 8.380 nan 0.000 0.422 263 S N 0.305 115.948 115.700 -0.095 0.000 2.368 263 S HA -0.194 4.275 4.470 -0.001 0.000 0.226 263 S C 1.724 176.348 174.600 0.040 0.000 1.044 263 S CA 1.309 59.463 58.200 -0.077 0.000 1.062 263 S CB -0.581 62.504 63.200 -0.192 0.000 0.931 263 S HN 0.322 nan 8.310 nan 0.000 0.440 264 F N 0.772 120.610 119.950 -0.186 0.000 2.075 264 F HA -0.095 4.431 4.527 -0.001 0.000 0.297 264 F C 3.151 178.820 175.800 -0.217 0.000 1.113 264 F CA 0.872 58.702 58.000 -0.284 0.000 1.218 264 F CB -0.689 37.832 39.000 -0.799 0.000 0.984 264 F HN 0.303 nan 8.300 nan 0.000 0.472 265 S N -0.394 115.313 115.700 0.012 0.000 2.440 265 S HA -0.181 4.288 4.470 -0.001 0.000 0.240 265 S C 1.983 176.582 174.600 -0.003 0.000 1.014 265 S CA 1.580 59.788 58.200 0.013 0.000 0.980 265 S CB -0.300 62.886 63.200 -0.023 0.000 0.775 265 S HN 0.253 nan 8.310 nan 0.000 0.499 266 S N 0.908 116.615 115.700 0.010 0.000 2.327 266 S HA 0.070 4.540 4.470 -0.001 0.000 0.213 266 S C 0.842 175.448 174.600 0.009 0.000 1.032 266 S CA 0.299 58.502 58.200 0.005 0.000 0.960 266 S CB -0.315 62.891 63.200 0.010 0.000 0.900 266 S HN 0.748 nan 8.310 nan 0.000 0.469 267 N N 1.216 119.940 118.700 0.039 0.000 2.546 267 N HA 0.179 4.919 4.740 -0.001 0.000 0.238 267 N C 0.725 176.250 175.510 0.025 0.000 0.984 267 N CA -0.158 52.908 53.050 0.028 0.000 0.935 267 N CB 0.667 39.184 38.487 0.049 0.000 1.122 267 N HN 0.245 nan 8.380 nan 0.000 0.510 268 Q N 2.764 122.531 119.800 -0.056 0.000 2.124 268 Q HA -0.239 4.100 4.340 -0.001 0.000 0.202 268 Q C 1.433 177.287 176.000 -0.244 0.000 0.977 268 Q CA 1.432 57.151 55.803 -0.141 0.000 0.850 268 Q CB 0.014 28.576 28.738 -0.293 0.000 0.901 268 Q HN 0.634 nan 8.270 nan 0.000 0.429 269 N N -0.448 118.140 118.700 -0.188 0.000 2.120 269 N HA -0.126 4.613 4.740 -0.001 0.000 0.188 269 N C 1.447 176.971 175.510 0.024 0.000 1.024 269 N CA 1.872 54.859 53.050 -0.105 0.000 0.852 269 N CB -0.325 38.140 38.487 -0.038 0.000 1.003 269 N HN 0.236 nan 8.380 nan 0.000 0.424 270 T N 0.721 115.309 114.554 0.058 0.000 2.652 270 T HA -0.154 4.195 4.350 -0.001 0.000 0.267 270 T C 1.601 176.361 174.700 0.099 0.000 1.039 270 T CA 1.350 63.533 62.100 0.138 0.000 1.153 270 T CB -0.604 68.397 68.868 0.223 0.000 0.863 270 T HN 0.330 nan 8.240 nan 0.000 0.428 271 F N 1.807 121.621 119.950 -0.227 0.000 2.065 271 F HA -0.131 4.395 4.527 -0.001 0.000 0.298 271 F C 1.812 177.504 175.800 -0.180 0.000 1.112 271 F CA 1.003 58.507 58.000 -0.828 0.000 1.212 271 F CB -0.909 37.646 39.000 -0.741 0.000 0.975 271 F HN 0.062 nan 8.300 nan 0.000 0.476 272 F N 1.127 120.710 119.950 -0.612 0.000 2.115 272 F HA -0.238 4.289 4.527 -0.001 0.000 0.300 272 F C 2.845 178.490 175.800 -0.258 0.000 1.092 272 F CA 1.603 59.303 58.000 -0.501 0.000 1.245 272 F CB -1.599 37.303 39.000 -0.163 0.000 0.995 272 F HN 0.035 nan 8.300 nan 0.000 0.481 273 S N -0.340 115.388 115.700 0.046 0.000 2.371 273 S HA -0.137 4.333 4.470 -0.001 0.000 0.224 273 S C 1.869 176.468 174.600 -0.002 0.000 1.029 273 S CA 0.845 59.068 58.200 0.038 0.000 0.978 273 S CB -0.315 62.926 63.200 0.069 0.000 0.833 273 S HN 0.390 nan 8.310 nan 0.000 0.466 274 N N 0.661 119.372 118.700 0.018 0.000 2.223 274 N HA -0.048 4.691 4.740 -0.001 0.000 0.185 274 N C 1.426 176.933 175.510 -0.004 0.000 1.016 274 N CA 0.782 53.877 53.050 0.074 0.000 0.863 274 N CB -0.320 38.343 38.487 0.293 0.000 0.983 274 N HN 0.309 nan 8.380 nan 0.000 0.429 275 F N 2.986 122.768 119.950 -0.280 0.000 2.046 275 F HA -0.149 4.377 4.527 -0.001 0.000 0.297 275 F C 2.377 177.895 175.800 -0.470 0.000 1.123 275 F CA 1.508 59.305 58.000 -0.338 0.000 1.199 275 F CB -0.251 38.462 39.000 -0.479 0.000 0.972 275 F HN -0.058 nan 8.300 nan 0.000 0.474 276 R N -0.227 120.034 120.500 -0.398 0.000 2.119 276 R HA -0.204 4.135 4.340 -0.001 0.000 0.246 276 R C 2.042 177.883 176.300 -0.766 0.000 1.146 276 R CA 1.911 57.535 56.100 -0.793 0.000 0.962 276 R CB -1.520 28.645 30.300 -0.224 0.000 0.863 276 R HN 0.294 nan 8.270 nan 0.000 0.442 277 V N 1.016 120.691 119.914 -0.397 0.000 2.270 277 V HA -0.225 3.895 4.120 -0.001 0.000 0.245 277 V C 2.357 178.271 176.094 -0.300 0.000 1.043 277 V CA 2.115 64.249 62.300 -0.276 0.000 1.014 277 V CB -0.456 31.293 31.823 -0.124 0.000 0.645 277 V HN 0.304 nan 8.190 nan 0.000 0.447 278 S N -0.476 115.050 115.700 -0.290 0.000 2.383 278 S HA -0.183 4.286 4.470 -0.001 0.000 0.229 278 S C 1.975 176.371 174.600 -0.341 0.000 1.030 278 S CA 1.511 59.570 58.200 -0.235 0.000 1.002 278 S CB -0.326 62.785 63.200 -0.148 0.000 0.829 278 S HN 0.361 nan 8.310 nan 0.000 0.467 279 M N 0.750 119.970 119.600 -0.634 0.000 2.229 279 M HA 0.051 4.530 4.480 -0.001 0.000 0.264 279 M C 1.983 178.088 176.300 -0.325 0.000 1.063 279 M CA 1.160 56.120 55.300 -0.568 0.000 1.114 279 M CB -1.125 30.904 32.600 -0.950 0.000 1.387 279 M HN 0.324 nan 8.290 nan 0.000 0.420 280 I N -0.349 119.978 120.570 -0.406 0.000 2.202 280 I HA -0.311 3.859 4.170 -0.001 0.000 0.242 280 I C 2.527 178.587 176.117 -0.095 0.000 1.091 280 I CA 1.134 62.312 61.300 -0.204 0.000 1.368 280 I CB -0.484 37.383 38.000 -0.223 0.000 1.058 280 I HN 0.292 nan 8.210 nan 0.000 0.410 281 K N 1.054 121.386 120.400 -0.112 0.000 2.044 281 K HA -0.254 4.065 4.320 -0.001 0.000 0.210 281 K C 2.306 178.891 176.600 -0.025 0.000 1.049 281 K CA 1.826 58.080 56.287 -0.056 0.000 0.927 281 K CB -0.132 32.338 32.500 -0.050 0.000 0.713 281 K HN 0.189 nan 8.250 nan 0.000 0.443 282 M N -0.235 119.353 119.600 -0.020 0.000 2.159 282 M HA -0.072 4.407 4.480 -0.001 0.000 0.263 282 M C 1.534 177.865 176.300 0.052 0.000 1.063 282 M CA 1.929 57.248 55.300 0.032 0.000 1.110 282 M CB -0.127 32.505 32.600 0.052 0.000 1.374 282 M HN 0.253 nan 8.290 nan 0.000 0.411 283 G N 0.193 109.048 108.800 0.091 0.000 2.990 283 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.206 283 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.206 283 G C 0.878 175.828 174.900 0.083 0.000 1.169 283 G CA 0.135 45.331 45.100 0.161 0.000 0.819 283 G HN 0.503 nan 8.290 nan 0.000 0.517 284 N N -0.136 118.584 118.700 0.034 0.000 2.171 284 N HA 0.160 4.899 4.740 -0.001 0.000 0.212 284 N C 0.375 175.881 175.510 -0.007 0.000 1.184 284 N CA -0.270 52.787 53.050 0.012 0.000 0.888 284 N CB 0.765 39.252 38.487 0.000 0.000 1.038 284 N HN 0.213 nan 8.380 nan 0.000 0.517 285 I N 1.195 121.757 120.570 -0.014 0.000 2.668 285 I HA -0.023 4.146 4.170 -0.001 0.000 0.285 285 I C 1.286 177.381 176.117 -0.036 0.000 1.168 285 I CA 0.382 61.658 61.300 -0.040 0.000 1.424 285 I CB 0.405 38.369 38.000 -0.060 0.000 1.377 285 I HN 0.179 nan 8.210 nan 0.000 0.560 286 G N 5.110 113.885 108.800 -0.043 0.000 2.422 286 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.301 286 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.301 286 G C 0.195 175.081 174.900 -0.024 0.000 0.981 286 G CA -0.103 44.975 45.100 -0.036 0.000 0.994 286 G HN 0.438 nan 8.290 nan 0.000 0.514 287 V N 0.051 119.954 119.914 -0.019 0.000 2.843 287 V HA 0.360 4.479 4.120 -0.001 0.000 0.305 287 V C 1.072 177.155 176.094 -0.017 0.000 1.065 287 V CA 0.038 62.329 62.300 -0.015 0.000 1.116 287 V CB 1.445 33.259 31.823 -0.014 0.000 0.968 287 V HN 0.347 nan 8.190 nan 0.000 0.487 288 L N 5.260 126.472 121.223 -0.018 0.000 2.305 288 L HA 0.598 4.938 4.340 -0.001 0.000 0.284 288 L C 0.184 177.037 176.870 -0.028 0.000 1.013 288 L CA -0.227 54.603 54.840 -0.016 0.000 0.819 288 L CB 1.663 43.717 42.059 -0.008 0.000 1.227 288 L HN 0.849 nan 8.230 nan 0.000 0.417 289 T N -1.327 113.212 114.554 -0.025 0.000 2.773 289 T HA 0.797 5.146 4.350 -0.001 0.000 0.278 289 T C 0.707 175.404 174.700 -0.006 0.000 1.011 289 T CA -0.045 62.033 62.100 -0.036 0.000 1.014 289 T CB 1.859 70.701 68.868 -0.044 0.000 1.293 289 T HN 0.781 nan 8.240 nan 0.000 0.554 290 G N 1.903 110.710 108.800 0.011 0.000 3.099 290 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.331 290 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.331 290 G C 0.472 175.397 174.900 0.043 0.000 1.216 290 G CA 1.064 46.187 45.100 0.039 0.000 0.977 290 G HN 1.249 nan 8.290 nan 0.000 0.600 291 D N 1.615 122.032 120.400 0.029 0.000 2.469 291 D HA 0.176 4.816 4.640 -0.001 0.000 0.213 291 D C 0.517 176.831 176.300 0.022 0.000 1.135 291 D CA 0.358 54.375 54.000 0.029 0.000 0.834 291 D CB 0.033 40.847 40.800 0.024 0.000 1.009 291 D HN 0.687 nan 8.370 nan 0.000 0.507 292 E N 1.189 121.399 120.200 0.016 0.000 2.383 292 E HA 0.397 4.746 4.350 -0.001 0.000 0.264 292 E C 1.094 177.703 176.600 0.014 0.000 1.050 292 E CA 0.270 56.676 56.400 0.012 0.000 0.896 292 E CB 0.783 30.486 29.700 0.005 0.000 0.982 292 E HN 0.285 nan 8.360 nan 0.000 0.424 293 G N 2.169 110.977 108.800 0.014 0.000 2.564 293 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.273 293 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.273 293 G C -0.078 174.837 174.900 0.025 0.000 1.242 293 G CA 0.617 45.728 45.100 0.018 0.000 0.951 293 G HN 0.788 nan 8.290 nan 0.000 0.564 294 E N -2.492 117.726 120.200 0.030 0.000 2.368 294 E HA 0.677 5.026 4.350 -0.001 0.000 0.257 294 E C -1.250 175.379 176.600 0.049 0.000 1.022 294 E CA -1.134 55.290 56.400 0.039 0.000 0.886 294 E CB 1.129 30.851 29.700 0.037 0.000 1.740 294 E HN 0.591 nan 8.360 nan 0.000 0.456 295 I N 1.765 122.368 120.570 0.056 0.000 2.437 295 I HA 0.335 4.505 4.170 -0.001 0.000 0.279 295 I C -0.028 176.123 176.117 0.057 0.000 1.028 295 I CA -0.520 60.820 61.300 0.067 0.000 1.142 295 I CB 0.835 38.886 38.000 0.084 0.000 1.266 295 I HN 0.565 nan 8.210 nan 0.000 0.461 296 R N 3.433 123.964 120.500 0.052 0.000 2.570 296 R HA 0.099 4.438 4.340 -0.001 0.000 0.277 296 R C 0.641 176.971 176.300 0.051 0.000 1.039 296 R CA -0.205 55.925 56.100 0.050 0.000 1.065 296 R CB 0.883 31.208 30.300 0.041 0.000 0.964 296 R HN 0.404 nan 8.270 nan 0.000 0.428 297 L N 2.165 123.421 121.223 0.055 0.000 2.249 297 L HA 0.044 4.383 4.340 -0.001 0.000 0.207 297 L C 0.344 177.247 176.870 0.054 0.000 1.090 297 L CA 1.240 56.111 54.840 0.051 0.000 0.802 297 L CB -0.340 41.748 42.059 0.049 0.000 0.947 297 L HN 0.550 nan 8.230 nan 0.000 0.453 298 Q N -1.937 117.905 119.800 0.071 0.000 2.292 298 Q HA 0.221 4.560 4.340 -0.001 0.000 0.270 298 Q C 0.309 176.344 176.000 0.059 0.000 1.024 298 Q CA -0.259 55.593 55.803 0.082 0.000 0.768 298 Q CB 1.485 30.311 28.738 0.148 0.000 1.250 298 Q HN 0.134 nan 8.270 nan 0.000 0.447 299 c N 3.239 121.848 118.600 0.016 0.000 2.449 299 c HA 0.015 4.584 4.570 -0.001 0.000 0.283 299 c C 1.295 175.329 174.090 -0.093 0.000 1.453 299 c CA 0.911 57.227 56.329 -0.023 0.000 1.779 299 c CB -1.267 41.227 42.510 -0.027 0.000 1.779 299 c HN 0.885 nan 8.230 nan 0.000 0.546 300 N N -1.163 117.439 118.700 -0.162 0.000 2.392 300 N HA 0.150 4.890 4.740 -0.001 0.000 0.177 300 N C -0.269 174.756 175.510 -0.808 0.000 1.066 300 N CA 0.441 53.206 53.050 -0.474 0.000 0.895 300 N CB 0.272 38.406 38.487 -0.590 0.000 0.988 300 N HN 0.393 nan 8.380 nan 0.000 0.457 301 F N 0.014 119.967 119.950 0.005 0.000 2.576 301 F HA 0.405 4.931 4.527 -0.001 0.000 0.313 301 F C 0.044 175.848 175.800 0.008 0.000 1.078 301 F CA -1.270 56.733 58.000 0.005 0.000 0.921 301 F CB 1.018 40.020 39.000 0.005 0.000 1.232 301 F HN -0.366 nan 8.300 nan 0.000 0.459 302 V N 1.445 121.479 119.914 0.198 0.000 2.924 302 V HA 0.034 4.153 4.120 -0.001 0.000 0.305 302 V C 0.155 176.315 176.094 0.110 0.000 1.073 302 V CA -0.866 61.503 62.300 0.114 0.000 1.098 302 V CB 0.366 32.239 31.823 0.083 0.000 1.000 302 V HN 0.602 nan 8.190 nan 0.000 0.484 303 N N 3.641 122.386 118.700 0.075 0.000 2.394 303 N HA 0.288 5.027 4.740 -0.001 0.000 0.282 303 N C 0.544 176.081 175.510 0.045 0.000 1.351 303 N CA 1.426 54.512 53.050 0.059 0.000 0.936 303 N CB -0.014 38.501 38.487 0.046 0.000 1.274 303 N HN 1.153 nan 8.380 nan 0.000 0.489 304 G N 0.000 108.822 108.800 0.036 0.000 5.446 304 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 304 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 304 G CA 0.000 45.108 45.100 0.014 0.000 0.502 304 G HN 0.000 nan 8.290 nan 0.000 0.925