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_C 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 1.836 123.051 121.223 -0.014 0.000 2.678 2 L HA 0.028 4.368 4.340 -0.000 0.000 0.285 2 L C 0.842 177.735 176.870 0.037 0.000 1.233 2 L CA 1.060 55.886 54.840 -0.023 0.000 0.920 2 L CB 0.018 42.068 42.059 -0.015 0.000 1.176 2 L HN 0.455 nan 8.230 nan 0.000 0.495 3 T N 3.562 118.164 114.554 0.079 0.000 2.893 3 T HA 0.451 4.801 4.350 -0.000 0.000 0.293 3 T C -1.872 172.922 174.700 0.156 0.000 1.027 3 T CA -1.821 60.352 62.100 0.121 0.000 0.988 3 T CB 2.070 71.029 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 0.864 178.243 177.300 0.132 0.000 1.158 4 P CA 0.769 63.942 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 -5.608 109.024 114.554 0.129 0.000 3.174 5 T HA 0.161 4.511 4.350 -0.000 0.000 0.269 5 T C 1.083 175.863 174.700 0.133 0.000 1.017 5 T CA -0.529 61.637 62.100 0.109 0.000 0.899 5 T CB -1.221 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 1.972 121.935 119.950 0.021 0.000 2.271 6 F HA -0.116 4.410 4.527 -0.000 0.000 0.302 6 F C 0.738 176.358 175.800 -0.299 0.000 1.063 6 F CA 1.087 58.994 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 -1.497 118.862 120.300 0.099 0.000 2.531 7 Y HA 0.224 4.774 4.550 -0.000 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 1.709 122.262 120.500 0.089 0.000 2.159 8 R HA -0.236 4.104 4.340 -0.000 0.000 0.252 8 R C 1.412 177.725 176.300 0.021 0.000 1.144 8 R CA 2.663 58.786 56.100 0.039 0.000 0.961 8 R CB -0.066 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 -1.571 118.621 120.200 -0.013 0.000 2.132 9 E HA 0.011 4.361 4.350 -0.000 0.000 0.193 9 E C 2.109 178.712 176.600 0.006 0.000 0.951 9 E CA 1.245 57.635 56.400 -0.017 0.000 0.843 9 E CB -0.565 29.104 29.700 -0.052 0.000 0.807 9 E HN 0.297 nan 8.360 nan 0.000 0.467 10 T N 0.918 115.470 114.554 -0.003 0.000 2.665 10 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 10 T C 1.270 176.048 174.700 0.130 0.000 1.035 10 T CA 1.319 63.447 62.100 0.047 0.000 1.151 10 T CB -0.138 68.736 68.868 0.010 0.000 0.862 10 T HN 0.154 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 -0.000 0.000 0.218 11 c C -1.729 172.431 174.090 0.116 0.000 1.284 11 c CA -1.990 54.428 56.329 0.147 0.000 1.343 11 c CB -0.039 42.556 42.510 0.141 0.000 1.825 11 c HN 0.272 nan 8.230 nan 0.000 0.518 12 P HA -0.196 nan 4.420 nan 0.000 0.219 12 P C 0.262 177.594 177.300 0.054 0.000 1.159 12 P CA 1.825 64.958 63.100 0.056 0.000 0.944 12 P CB -0.048 31.672 31.700 0.033 0.000 0.792 13 N N -1.159 117.570 118.700 0.047 0.000 2.920 13 N HA 0.125 4.865 4.740 -0.000 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 -0.017 nan 8.380 nan 0.000 0.521 14 L N 0.354 121.626 121.223 0.081 0.000 1.973 14 L HA 0.038 4.378 4.340 -0.000 0.000 0.208 14 L C 1.616 178.529 176.870 0.073 0.000 1.073 14 L CA 1.729 56.594 54.840 0.041 0.000 0.746 14 L CB -0.696 41.359 42.059 -0.007 0.000 0.891 14 L HN 0.158 nan 8.230 nan 0.000 0.433 15 F N 0.274 120.190 119.950 -0.056 0.000 2.043 15 F HA -0.184 4.343 4.527 -0.000 0.000 0.297 15 F C -0.122 175.676 175.800 -0.003 0.000 1.118 15 F CA 2.478 60.455 58.000 -0.039 0.000 1.202 15 F CB -2.216 36.745 39.000 -0.065 0.000 0.965 15 F HN 0.178 nan 8.300 nan 0.000 0.482 16 P HA -0.222 nan 4.420 nan 0.000 0.216 16 P C 1.980 179.336 177.300 0.093 0.000 1.154 16 P CA 1.810 64.963 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 -0.964 119.636 120.570 0.051 0.000 2.113 17 I HA -0.217 3.953 4.170 -0.000 0.000 0.238 17 I C 2.420 178.538 176.117 0.002 0.000 1.070 17 I CA 1.572 62.885 61.300 0.022 0.000 1.332 17 I CB -1.057 36.941 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 3.800 4.120 -0.000 0.000 0.248 18 V C 2.336 178.392 176.094 -0.065 0.000 1.055 18 V CA 1.761 64.002 62.300 -0.098 0.000 1.049 18 V CB -0.601 31.103 31.823 -0.200 0.000 0.662 18 V HN 0.382 nan 8.190 nan 0.000 0.455 19 F N 2.141 122.002 119.950 -0.147 0.000 2.102 19 F HA 0.054 4.581 4.527 -0.000 0.000 0.298 19 F C 2.271 178.042 175.800 -0.048 0.000 1.105 19 F CA 2.153 60.088 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 -0.164 108.718 108.800 0.138 0.000 2.446 20 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 20 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 20 G C 1.774 176.660 174.900 -0.024 0.000 1.168 20 G CA 1.244 46.397 45.100 0.088 0.000 0.771 20 G HN 0.333 nan 8.290 nan 0.000 0.551 21 V N 1.547 121.424 119.914 -0.063 0.000 2.231 21 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 21 V C 2.829 178.816 176.094 -0.177 0.000 1.054 21 V CA 1.990 64.223 62.300 -0.110 0.000 1.015 21 V CB -0.515 31.250 31.823 -0.096 0.000 0.638 21 V HN 0.434 nan 8.190 nan 0.000 0.444 22 I N -0.966 119.484 120.570 -0.199 0.000 2.335 22 I HA -0.261 3.909 4.170 -0.000 0.000 0.251 22 I C 2.323 178.275 176.117 -0.275 0.000 1.129 22 I CA 1.721 62.880 61.300 -0.235 0.000 1.402 22 I CB -0.486 37.363 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 4.309 4.527 -0.000 0.000 0.297 23 F C 2.174 177.540 175.800 -0.724 0.000 1.103 23 F CA 1.727 59.425 58.000 -0.504 0.000 1.248 23 F CB -0.333 38.402 39.000 -0.442 0.000 0.999 23 F HN 0.064 nan 8.300 nan 0.000 0.475 24 D N 0.342 120.246 120.400 -0.827 0.000 2.178 24 D HA -0.080 4.560 4.640 -0.000 0.000 0.202 24 D C 2.207 177.956 176.300 -0.917 0.000 0.974 24 D CA 1.265 54.434 54.000 -1.385 0.000 0.841 24 D CB -0.531 39.891 40.800 -0.631 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 4.254 4.320 -0.000 0.000 0.210 25 A C 2.101 179.521 177.584 -0.274 0.000 1.174 25 A CA 1.362 53.215 52.037 -0.306 0.000 0.750 25 A CB -0.258 18.612 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 -0.379 0.000 2.511 26 S HA 0.140 4.610 4.470 -0.000 0.000 0.214 26 S C 1.265 175.811 174.600 -0.090 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 -0.220 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 4.532 4.527 -0.000 0.000 0.301 27 F C 2.571 178.289 175.800 -0.135 0.000 1.077 27 F CA 1.187 59.057 58.000 -0.218 0.000 1.348 27 F CB -1.255 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 -4.960 109.633 114.554 0.066 0.000 3.040 28 T HA 0.175 4.525 4.350 -0.000 0.000 0.266 28 T C -0.153 174.538 174.700 -0.015 0.000 1.005 28 T CA -0.020 62.091 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 2.119 122.497 120.400 -0.037 0.000 2.323 29 D HA 0.296 4.936 4.640 -0.000 0.000 0.242 29 D C -2.519 173.745 176.300 -0.060 0.000 1.347 29 D CA -1.984 51.986 54.000 -0.050 0.000 0.988 29 D CB 2.071 42.833 40.800 -0.063 0.000 1.314 29 D HN -0.054 nan 8.370 nan 0.000 0.564 30 P HA 0.081 nan 4.420 nan 0.000 0.259 30 P C 0.549 177.809 177.300 -0.067 0.000 1.480 30 P CA 0.111 63.189 63.100 -0.037 0.000 0.842 30 P CB 0.197 31.891 31.700 -0.009 0.000 1.513 31 R N -0.630 119.813 120.500 -0.095 0.000 2.513 31 R HA 0.141 4.481 4.340 -0.000 0.000 0.245 31 R C 1.727 177.926 176.300 -0.169 0.000 0.908 31 R CA -0.219 55.795 56.100 -0.143 0.000 1.023 31 R CB -0.186 30.051 30.300 -0.106 0.000 1.338 31 R HN -0.092 nan 8.270 nan 0.000 0.575 32 I N 1.511 122.001 120.570 -0.132 0.000 2.399 32 I HA -0.104 4.066 4.170 -0.000 0.000 0.254 32 I C 1.746 177.779 176.117 -0.139 0.000 1.146 32 I CA 1.755 62.979 61.300 -0.127 0.000 1.412 32 I CB -0.408 37.520 38.000 -0.119 0.000 1.076 32 I HN 0.283 nan 8.210 nan 0.000 0.432 33 G N -0.209 108.497 108.800 -0.158 0.000 2.434 33 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.214 33 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.214 33 G C 1.762 176.545 174.900 -0.195 0.000 1.202 33 G CA 0.784 45.805 45.100 -0.132 0.000 0.788 33 G HN 0.571 nan 8.290 nan 0.000 0.539 34 A N 0.672 123.171 122.820 -0.534 0.000 1.908 34 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 34 A C 2.704 180.170 177.584 -0.198 0.000 1.181 34 A CA 2.365 53.984 52.037 -0.697 0.000 0.627 34 A CB -0.713 17.601 19.000 -1.143 0.000 0.818 34 A HN 0.320 nan 8.150 nan 0.000 0.445 35 S N -0.139 115.457 115.700 -0.175 0.000 2.370 35 S HA -0.125 4.345 4.470 -0.000 0.000 0.226 35 S C 1.825 176.396 174.600 -0.048 0.000 1.033 35 S CA 1.541 59.685 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 0.791 121.988 121.223 -0.044 0.000 2.046 36 L HA -0.116 4.223 4.340 -0.000 0.000 0.208 36 L C 2.580 179.486 176.870 0.059 0.000 1.077 36 L CA 1.233 56.066 54.840 -0.011 0.000 0.747 36 L CB -0.481 41.555 42.059 -0.039 0.000 0.896 36 L HN 0.390 nan 8.230 nan 0.000 0.432 37 M N -0.114 119.550 119.600 0.106 0.000 2.065 37 M HA -0.270 4.210 4.480 -0.000 0.000 0.259 37 M C 2.531 178.979 176.300 0.247 0.000 1.071 37 M CA 1.798 57.227 55.300 0.214 0.000 1.109 37 M CB -0.284 32.517 32.600 0.334 0.000 1.313 37 M HN 0.076 nan 8.290 nan 0.000 0.408 38 R N 0.233 120.854 120.500 0.201 0.000 2.211 38 R HA -0.197 4.143 4.340 -0.000 0.000 0.240 38 R C 1.992 178.337 176.300 0.075 0.000 1.144 38 R CA 1.323 57.539 56.100 0.194 0.000 0.992 38 R CB -0.377 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 -0.060 121.191 121.223 0.047 0.000 2.072 39 L HA -0.138 4.202 4.340 -0.000 0.000 0.205 39 L C 2.164 179.101 176.870 0.112 0.000 1.079 39 L CA 2.063 56.910 54.840 0.012 0.000 0.752 39 L CB -0.720 41.345 42.059 0.010 0.000 0.906 39 L HN 0.239 nan 8.230 nan 0.000 0.436 40 H N -1.509 117.614 119.070 0.088 0.000 2.421 40 H HA -0.244 4.312 4.556 -0.000 0.000 0.298 40 H C 2.004 177.444 175.328 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 29.500 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 -0.000 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 -1.100 117.739 119.070 -0.385 0.000 2.546 42 H HA -0.132 4.424 4.556 -0.000 0.000 0.277 42 H C 1.249 176.432 175.328 -0.242 0.000 1.004 42 H CA 0.767 56.532 56.048 -0.471 0.000 1.231 42 H CB 0.018 29.604 29.762 -0.292 0.000 1.382 42 H HN 0.421 nan 8.280 nan 0.000 0.580 43 D N 0.115 120.489 120.400 -0.043 0.000 2.146 43 D HA -0.100 4.540 4.640 -0.000 0.000 0.209 43 D C 2.265 178.535 176.300 -0.050 0.000 0.973 43 D CA 0.781 54.755 54.000 -0.042 0.000 0.860 43 D CB -0.414 40.369 40.800 -0.029 0.000 1.015 43 D HN 0.165 nan 8.370 nan 0.000 0.465 44 c N 0.063 118.619 118.600 -0.072 0.000 2.398 44 c HA -0.148 4.422 4.570 -0.000 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 -1.567 40.941 42.510 -0.003 0.000 2.039 44 c HN 0.333 nan 8.230 nan 0.000 0.470 45 F N 0.542 120.385 119.950 -0.180 0.000 2.546 45 F HA 0.071 4.598 4.527 -0.000 0.000 0.298 45 F C 0.887 176.588 175.800 -0.164 0.000 1.120 45 F CA 0.744 58.631 58.000 -0.188 0.000 1.456 45 F CB -0.302 38.527 39.000 -0.285 0.000 1.088 45 F HN -0.008 nan 8.300 nan 0.000 0.572 46 V N 0.028 119.943 119.914 0.002 0.000 2.380 46 V HA 0.221 4.340 4.120 -0.000 0.000 0.286 46 V C 0.626 176.698 176.094 -0.037 0.000 1.015 46 V CA -0.670 61.608 62.300 -0.036 0.000 0.834 46 V CB 1.204 32.996 31.823 -0.052 0.000 1.009 46 V HN 0.292 nan 8.190 nan 0.000 0.428 47 Q N 3.396 123.171 119.800 -0.042 0.000 2.261 47 Q HA -0.210 4.130 4.340 -0.000 0.000 0.155 47 Q C 0.507 176.485 176.000 -0.035 0.000 0.598 47 Q CA 1.834 57.616 55.803 -0.036 0.000 1.376 47 Q CB -0.929 27.794 28.738 -0.026 0.000 1.356 47 Q HN 1.865 nan 8.270 nan 0.000 0.947 48 G N -2.130 106.648 108.800 -0.037 0.000 2.406 48 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.680 48 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.680 48 G C -0.528 174.357 174.900 -0.024 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 1.867 120.454 118.600 -0.022 0.000 2.773 49 c HA 0.429 4.999 4.570 -0.000 0.000 0.442 49 c C 0.870 174.965 174.090 0.008 0.000 1.028 49 c CA 0.278 56.595 56.329 -0.019 0.000 1.164 49 c CB -1.745 40.762 42.510 -0.004 0.000 1.593 49 c HN 0.748 nan 8.230 nan 0.000 0.557 50 D N -0.698 119.703 120.400 0.003 0.000 2.620 50 D HA 0.204 4.844 4.640 -0.000 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 -0.432 40.367 40.800 -0.001 0.000 1.096 50 D HN 0.535 nan 8.370 nan 0.000 0.488 51 G N 1.257 110.066 108.800 0.015 0.000 2.205 51 G HA2 -0.445 3.515 3.960 -0.000 0.000 0.269 51 G HA3 -0.445 3.515 3.960 -0.000 0.000 0.269 51 G C 1.395 176.291 174.900 -0.008 0.000 0.977 51 G CA 1.416 46.522 45.100 0.009 0.000 0.652 51 G HN 0.880 nan 8.290 nan 0.000 0.539 52 S N -0.593 115.101 115.700 -0.010 0.000 2.444 52 S HA -0.158 4.312 4.470 -0.000 0.000 0.244 52 S C 2.126 176.710 174.600 -0.026 0.000 1.025 52 S CA 2.117 60.306 58.200 -0.017 0.000 0.995 52 S CB -0.402 62.789 63.200 -0.016 0.000 0.781 52 S HN 0.981 nan 8.310 nan 0.000 0.496 53 V N 1.181 121.080 119.914 -0.023 0.000 2.871 53 V HA 0.120 4.240 4.120 -0.000 0.000 0.256 53 V C 2.128 178.198 176.094 -0.040 0.000 1.082 53 V CA 1.045 63.329 62.300 -0.025 0.000 1.105 53 V CB -0.791 31.026 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 -0.000 0.000 0.226 54 L C 0.701 177.492 176.870 -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 0.721 121.871 121.223 -0.121 0.000 2.410 55 L HA 0.082 4.422 4.340 -0.000 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 0.311 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 1.846 120.338 118.700 -0.347 0.000 2.413 56 N HA 0.180 4.920 4.740 -0.000 0.000 0.266 56 N C -0.360 175.101 175.510 -0.081 0.000 1.238 56 N CA -0.966 51.932 53.050 -0.253 0.000 0.972 56 N CB 0.529 38.767 38.487 -0.414 0.000 1.210 56 N HN 0.543 nan 8.380 nan 0.000 0.547 57 N N 0.646 119.348 118.700 0.003 0.000 2.468 57 N HA 0.116 4.855 4.740 -0.000 0.000 0.265 57 N C -0.702 174.886 175.510 0.130 0.000 1.199 57 N CA 0.660 53.744 53.050 0.056 0.000 0.928 57 N CB 0.674 39.188 38.487 0.044 0.000 1.059 57 N HN 0.419 nan 8.380 nan 0.000 0.467 58 T N 0.038 114.658 114.554 0.110 0.000 2.888 58 T HA 0.252 4.602 4.350 -0.000 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 4.567 4.640 -0.000 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 0.060 114.637 114.554 0.039 0.000 2.990 60 T HA 0.140 4.490 4.350 -0.000 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 0.213 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 -0.980 119.615 120.570 0.041 0.000 2.545 61 I HA 0.650 4.820 4.170 -0.000 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 4.091 124.300 120.200 0.014 0.000 2.103 62 E HA 0.207 4.557 4.350 -0.000 0.000 0.254 62 E C -0.379 176.221 176.600 0.000 0.000 0.940 62 E CA -0.487 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 2.290 117.986 115.700 -0.006 0.000 2.643 63 S HA -0.142 4.328 4.470 -0.000 0.000 0.310 63 S C 1.093 175.684 174.600 -0.016 0.000 1.253 63 S CA 0.334 58.523 58.200 -0.019 0.000 1.047 63 S CB 0.424 63.606 63.200 -0.031 0.000 0.767 63 S HN 0.487 nan 8.310 nan 0.000 0.498 64 E N 3.073 123.261 120.200 -0.020 0.000 2.268 64 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 64 E C 1.845 178.438 176.600 -0.012 0.000 0.995 64 E CA 0.843 57.232 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 0.615 120.406 119.800 -0.014 0.000 2.515 65 Q HA -0.154 4.186 4.340 -0.000 0.000 0.215 65 Q C 0.630 176.628 176.000 -0.002 0.000 0.983 65 Q CA 0.766 56.564 55.803 -0.009 0.000 0.905 65 Q CB 0.096 28.820 28.738 -0.023 0.000 0.961 65 Q HN 0.233 nan 8.270 nan 0.000 0.503 66 D N -0.601 119.797 120.400 -0.003 0.000 2.395 66 D HA 0.178 4.818 4.640 -0.000 0.000 0.213 66 D C -0.095 176.208 176.300 0.005 0.000 1.110 66 D CA 0.036 54.038 54.000 0.002 0.000 0.835 66 D CB 0.334 41.135 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 4.585 4.320 -0.000 0.000 0.258 67 A C 1.612 179.201 177.584 0.008 0.000 1.087 67 A CA -0.391 51.646 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 0.109 nan 8.150 nan 0.000 0.489 68 L N 1.125 122.357 121.223 0.014 0.000 2.021 68 L HA -0.153 4.187 4.340 -0.000 0.000 0.215 68 L C -0.214 176.670 176.870 0.024 0.000 1.074 68 L CA 2.007 56.863 54.840 0.026 0.000 0.760 68 L CB -1.353 40.732 42.059 0.044 0.000 0.889 68 L HN 0.656 nan 8.230 nan 0.000 0.433 69 P HA -0.035 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 1.042 64.147 63.100 0.008 0.000 0.773 69 P CB 0.106 31.756 31.700 -0.083 0.000 0.878 70 N N -0.142 118.589 118.700 0.051 0.000 2.436 70 N HA 0.042 4.782 4.740 -0.000 0.000 0.178 70 N C 0.827 176.361 175.510 0.040 0.000 1.026 70 N CA -0.179 52.915 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 3.231 123.816 120.570 0.025 0.000 2.826 71 I HA -0.145 4.025 4.170 -0.000 0.000 0.295 71 I C 0.318 176.444 176.117 0.014 0.000 1.213 71 I CA 0.401 61.710 61.300 0.015 0.000 1.436 71 I CB -0.102 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 3.520 122.223 118.700 0.006 0.000 2.693 72 N HA -0.236 4.504 4.740 -0.000 0.000 0.249 72 N C 0.598 176.109 175.510 0.002 0.000 1.119 72 N CA 1.212 54.263 53.050 0.001 0.000 0.717 72 N CB -0.880 37.607 38.487 0.000 0.000 1.071 72 N HN 0.726 nan 8.380 nan 0.000 0.555 73 S N -0.988 114.716 115.700 0.006 0.000 3.608 73 S HA 0.297 4.766 4.470 -0.000 0.000 0.234 73 S C 0.611 175.201 174.600 -0.017 0.000 1.077 73 S CA -0.095 58.109 58.200 0.005 0.000 0.827 73 S CB 0.277 63.497 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 4.633 4.170 -0.000 0.000 0.285 74 I C -0.121 175.966 176.117 -0.051 0.000 1.174 74 I CA -0.483 60.776 61.300 -0.068 0.000 1.405 74 I CB 0.291 38.240 38.000 -0.085 0.000 1.385 74 I HN 0.461 nan 8.210 nan 0.000 0.594 75 R N 2.423 122.887 120.500 -0.060 0.000 2.716 75 R HA 0.640 4.980 4.340 -0.000 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 1.269 31.541 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 3.771 3.960 -0.000 0.000 0.203 76 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.203 76 G C 0.472 175.341 174.900 -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 0.668 121.863 121.223 -0.048 0.000 2.362 77 L HA 0.043 4.383 4.340 -0.000 0.000 0.219 77 L C 2.523 179.365 176.870 -0.046 0.000 1.134 77 L CA 2.022 56.833 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 0.534 nan 8.230 nan 0.000 0.447 78 D N -0.082 120.292 120.400 -0.043 0.000 2.103 78 D HA -0.176 4.464 4.640 -0.000 0.000 0.199 78 D C 2.107 178.381 176.300 -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 0.496 120.376 119.914 -0.056 0.000 2.626 79 V HA -0.155 3.965 4.120 -0.000 0.000 0.252 79 V C 2.099 178.154 176.094 -0.066 0.000 1.067 79 V CA 1.010 63.269 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 0.208 nan 8.190 nan 0.000 0.468 80 V N 1.018 120.897 119.914 -0.058 0.000 2.343 80 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 80 V C 2.380 178.446 176.094 -0.046 0.000 1.051 80 V CA 2.417 64.684 62.300 -0.054 0.000 1.036 80 V CB -0.880 30.916 31.823 -0.046 0.000 0.654 80 V HN 0.609 nan 8.190 nan 0.000 0.451 81 N N 0.081 118.757 118.700 -0.039 0.000 2.244 81 N HA -0.136 4.604 4.740 -0.000 0.000 0.183 81 N C 1.491 176.986 175.510 -0.026 0.000 1.016 81 N CA 1.280 54.314 53.050 -0.026 0.000 0.866 81 N CB -0.339 38.138 38.487 -0.017 0.000 0.980 81 N HN 0.466 nan 8.380 nan 0.000 0.430 82 D N 0.925 121.304 120.400 -0.036 0.000 2.178 82 D HA -0.030 4.610 4.640 -0.000 0.000 0.201 82 D C 2.060 178.335 176.300 -0.042 0.000 0.980 82 D CA 0.376 54.354 54.000 -0.037 0.000 0.842 82 D CB -0.068 40.702 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 -0.262 3.908 4.170 -0.000 0.000 0.240 83 I C 2.328 178.416 176.117 -0.048 0.000 1.081 83 I CA 0.883 62.146 61.300 -0.062 0.000 1.353 83 I CB -0.151 37.801 38.000 -0.080 0.000 1.054 83 I HN -0.082 nan 8.210 nan 0.000 0.407 84 K N 1.171 121.548 120.400 -0.038 0.000 2.044 84 K HA -0.185 4.135 4.320 -0.000 0.000 0.210 84 K C 1.994 178.586 176.600 -0.013 0.000 1.049 84 K CA 2.263 58.536 56.287 -0.023 0.000 0.927 84 K CB -0.702 31.791 32.500 -0.012 0.000 0.713 84 K HN 0.188 nan 8.250 nan 0.000 0.443 85 T N 0.195 114.743 114.554 -0.011 0.000 2.720 85 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 85 T C 1.804 176.501 174.700 -0.006 0.000 1.037 85 T CA 1.622 63.720 62.100 -0.004 0.000 1.144 85 T CB -0.510 68.355 68.868 -0.004 0.000 0.864 85 T HN 0.420 nan 8.240 nan 0.000 0.444 86 A N 0.593 123.405 122.820 -0.014 0.000 1.968 86 A HA 0.062 4.382 4.320 -0.000 0.000 0.217 86 A C 2.544 180.121 177.584 -0.012 0.000 1.169 86 A CA 0.867 52.896 52.037 -0.012 0.000 0.638 86 A CB -0.670 18.319 19.000 -0.019 0.000 0.812 86 A HN 0.363 nan 8.150 nan 0.000 0.446 87 V N 0.185 120.087 119.914 -0.020 0.000 2.358 87 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 87 V C 2.504 178.595 176.094 -0.004 0.000 1.047 87 V CA 1.911 64.198 62.300 -0.022 0.000 1.035 87 V CB -0.644 31.153 31.823 -0.044 0.000 0.658 87 V HN 0.477 nan 8.190 nan 0.000 0.452 88 E N 0.597 120.798 120.200 0.002 0.000 2.077 88 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 88 E C 1.955 178.564 176.600 0.015 0.000 0.989 88 E CA 1.230 57.638 56.400 0.014 0.000 0.800 88 E CB -0.597 29.112 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 4.637 4.740 -0.000 0.000 0.186 89 N C 1.608 177.126 175.510 0.013 0.000 1.062 89 N CA 0.690 53.746 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 -0.793 114.916 115.700 0.014 0.000 2.807 90 S HA 0.124 4.594 4.470 -0.000 0.000 0.247 90 S C 0.438 175.053 174.600 0.025 0.000 1.078 90 S CA -0.142 58.068 58.200 0.018 0.000 0.867 90 S CB 0.425 63.634 63.200 0.015 0.000 0.797 90 S HN 0.270 nan 8.310 nan 0.000 0.515 91 c N 3.912 122.529 118.600 0.029 0.000 2.842 91 c HA 0.522 5.092 4.570 -0.000 0.000 0.311 91 c C -2.678 171.441 174.090 0.049 0.000 1.312 91 c CA -1.849 54.508 56.329 0.047 0.000 1.651 91 c CB -0.469 42.078 42.510 0.062 0.000 1.826 91 c HN 0.420 nan 8.230 nan 0.000 0.491 92 P HA -0.054 nan 4.420 nan 0.000 0.257 92 P C 0.643 177.973 177.300 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 2.855 123.286 120.400 0.052 0.000 2.916 93 D HA -0.247 4.393 4.640 -0.000 0.000 0.211 93 D C 0.110 176.462 176.300 0.088 0.000 1.260 93 D CA 1.569 55.607 54.000 0.064 0.000 0.711 93 D CB -0.961 39.871 40.800 0.053 0.000 0.915 93 D HN 0.486 nan 8.370 nan 0.000 0.391 94 T N -2.226 112.400 114.554 0.119 0.000 3.098 94 T HA 0.241 4.591 4.350 -0.000 0.000 0.256 94 T C 0.599 175.482 174.700 0.306 0.000 0.921 94 T CA 0.453 62.664 62.100 0.186 0.000 0.916 94 T CB 0.307 69.289 68.868 0.189 0.000 1.246 94 T HN 0.083 nan 8.240 nan 0.000 0.511 95 V N 4.127 124.176 119.914 0.225 0.000 2.427 95 V HA 0.671 4.791 4.120 -0.000 0.000 0.286 95 V C 0.545 176.713 176.094 0.123 0.000 1.034 95 V CA -0.692 61.728 62.300 0.200 0.000 0.893 95 V CB 1.412 33.190 31.823 -0.075 0.000 0.982 95 V HN 0.722 nan 8.190 nan 0.000 0.452 96 S N 2.900 118.688 115.700 0.147 0.000 2.617 96 S HA 0.146 4.616 4.470 -0.000 0.000 0.269 96 S C 1.111 175.735 174.600 0.041 0.000 1.292 96 S CA -0.513 57.740 58.200 0.088 0.000 1.010 96 S CB 1.092 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 1.343 119.961 118.600 0.030 0.000 2.446 97 c HA 0.054 4.624 4.570 -0.000 0.000 0.277 97 c C 3.199 177.303 174.090 0.023 0.000 1.275 97 c CA 0.903 57.240 56.329 0.013 0.000 1.727 97 c CB -2.066 40.449 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 4.016 4.320 -0.000 0.000 0.218 98 A C 1.759 179.386 177.584 0.073 0.000 1.203 98 A CA 2.648 54.720 52.037 0.058 0.000 0.638 98 A CB -0.904 18.125 19.000 0.049 0.000 0.831 98 A HN 0.536 nan 8.150 nan 0.000 0.450 99 D N -0.285 120.148 120.400 0.055 0.000 2.123 99 D HA -0.125 4.515 4.640 -0.000 0.000 0.196 99 D C 1.813 178.101 176.300 -0.019 0.000 0.992 99 D CA 1.153 55.178 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 0.452 120.997 120.570 -0.041 0.000 2.194 100 I HA -0.273 3.897 4.170 -0.000 0.000 0.246 100 I C 2.308 178.375 176.117 -0.083 0.000 1.093 100 I CA 0.776 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 0.315 121.529 121.223 -0.014 0.000 2.093 101 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 101 L C 2.846 179.641 176.870 -0.124 0.000 1.085 101 L CA 1.273 56.126 54.840 0.020 0.000 0.755 101 L CB -0.743 41.417 42.059 0.170 0.000 0.904 101 L HN 0.241 nan 8.230 nan 0.000 0.435 102 A N 0.347 123.057 122.820 -0.183 0.000 1.969 102 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 102 A C 2.160 179.563 177.584 -0.301 0.000 1.169 102 A CA 1.304 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 -0.558 119.884 120.570 -0.214 0.000 2.439 103 I HA -0.162 4.008 4.170 -0.000 0.000 0.251 103 I C 2.867 178.812 176.117 -0.288 0.000 1.139 103 I CA 0.822 61.952 61.300 -0.282 0.000 1.438 103 I CB -0.450 37.286 38.000 -0.440 0.000 1.085 103 I HN 0.329 nan 8.210 nan 0.000 0.427 104 A N 1.309 123.994 122.820 -0.226 0.000 1.877 104 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 104 A C 2.612 180.117 177.584 -0.131 0.000 1.186 104 A CA 1.808 53.742 52.037 -0.172 0.000 0.620 104 A CB -0.779 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 -0.569 122.178 122.820 -0.122 0.000 1.908 105 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 105 A C 2.106 179.659 177.584 -0.051 0.000 1.181 105 A CA 1.925 53.948 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 0.205 120.292 120.200 -0.188 0.000 2.047 106 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 106 E C 2.000 178.365 176.600 -0.392 0.000 0.987 106 E CA 1.205 57.290 56.400 -0.525 0.000 0.799 106 E CB -0.270 29.002 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 3.874 4.170 -0.000 0.000 0.245 107 I C 2.662 178.721 176.117 -0.096 0.000 1.097 107 I CA 1.072 62.308 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 0.139 122.908 122.820 -0.085 0.000 1.892 108 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 108 A C 2.519 180.119 177.584 0.027 0.000 1.188 108 A CA 2.497 54.537 52.037 0.005 0.000 0.631 108 A CB -0.964 18.087 19.000 0.085 0.000 0.822 108 A HN 0.434 nan 8.150 nan 0.000 0.447 109 S N -0.728 114.902 115.700 -0.117 0.000 2.353 109 S HA -0.156 4.314 4.470 -0.000 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 -0.379 0.000 1.025 109 S CB -0.658 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 -0.132 3.988 4.120 -0.000 0.000 0.248 110 V C 2.399 178.510 176.094 0.028 0.000 1.055 110 V CA 1.652 63.899 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 4.435 4.340 -0.000 0.000 0.228 111 L C 1.875 178.821 176.870 0.127 0.000 1.153 111 L CA 1.730 56.625 54.840 0.092 0.000 0.851 111 L CB -0.744 41.324 42.059 0.015 0.000 0.959 111 L HN 0.339 nan 8.230 nan 0.000 0.451 112 G N -2.991 105.890 108.800 0.136 0.000 3.519 112 G HA2 0.423 4.383 3.960 -0.000 0.000 0.269 112 G HA3 0.423 4.383 3.960 -0.000 0.000 0.269 112 G C 1.092 176.119 174.900 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 -0.734 108.155 108.800 0.148 0.000 2.232 113 G HA2 -0.060 3.899 3.960 -0.000 0.000 0.226 113 G HA3 -0.060 3.899 3.960 -0.000 0.000 0.226 113 G C 0.979 175.982 174.900 0.173 0.000 0.996 113 G CA 0.197 45.402 45.100 0.175 0.000 0.626 113 G HN 1.098 nan 8.290 nan 0.000 0.509 114 G N 1.110 109.920 108.800 0.017 0.000 2.631 114 G HA2 0.539 4.499 3.960 -0.000 0.000 0.271 114 G HA3 0.539 4.499 3.960 -0.000 0.000 0.271 114 G C -1.415 173.216 174.900 -0.448 0.000 1.302 114 G CA 0.102 44.976 45.100 -0.376 0.000 1.002 114 G HN 0.448 nan 8.290 nan 0.000 0.519 115 P HA 0.382 nan 4.420 nan 0.000 0.278 115 P C -0.016 177.171 177.300 -0.187 0.000 1.266 115 P CA -0.088 62.828 63.100 -0.306 0.000 0.807 115 P CB 1.666 33.185 31.700 -0.301 0.000 1.094 116 G N -0.575 108.174 108.800 -0.084 0.000 2.685 116 G HA2 0.794 4.754 3.960 -0.000 0.000 0.298 116 G HA3 0.794 4.754 3.960 -0.000 0.000 0.298 116 G C -1.965 172.951 174.900 0.027 0.000 1.277 116 G CA -0.937 44.017 45.100 -0.243 0.000 0.986 116 G HN 0.729 nan 8.290 nan 0.000 0.487 117 W N -1.850 119.430 121.300 -0.033 0.000 3.319 117 W HA 0.595 5.255 4.660 -0.000 0.000 0.300 117 W C -3.271 173.238 176.519 -0.017 0.000 1.244 117 W CA -2.275 55.051 57.345 -0.032 0.000 1.193 117 W CB -0.007 29.428 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 -0.417 177.024 177.300 0.235 0.000 1.264 118 P CA -0.078 63.079 63.100 0.095 0.000 0.769 118 P CB 0.762 32.496 31.700 0.056 0.000 0.840 119 V N 7.303 127.337 119.914 0.200 0.000 2.427 119 V HA 0.175 4.295 4.120 -0.000 0.000 0.268 119 V C -1.661 174.562 176.094 0.215 0.000 1.046 119 V CA -1.552 60.918 62.300 0.284 0.000 0.970 119 V CB 0.438 32.441 31.823 0.301 0.000 1.001 119 V HN 0.530 nan 8.190 nan 0.000 0.476 120 P HA 0.344 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 0.000 63.181 63.100 0.134 0.000 0.772 120 P CB 1.245 33.001 31.700 0.093 0.000 0.871 121 L N 1.401 122.709 121.223 0.141 0.000 2.235 121 L HA 0.762 5.102 4.340 -0.000 0.000 0.260 121 L C 1.226 177.985 176.870 -0.184 0.000 1.025 121 L CA -0.603 54.311 54.840 0.123 0.000 0.836 121 L CB 1.748 44.040 42.059 0.389 0.000 1.395 121 L HN 0.623 nan 8.230 nan 0.000 0.443 122 G N 0.082 108.639 108.800 -0.406 0.000 2.173 122 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.142 122 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.142 122 G C 0.011 174.566 174.900 -0.575 0.000 1.019 122 G CA -0.654 43.709 45.100 -1.227 0.000 0.699 122 G HN 0.460 nan 8.290 nan 0.000 0.495 123 R N 0.047 120.412 120.500 -0.226 0.000 2.637 123 R HA 0.734 5.074 4.340 -0.000 0.000 0.269 123 R C 0.393 176.659 176.300 -0.057 0.000 1.089 123 R CA -0.126 55.912 56.100 -0.104 0.000 1.177 123 R CB 0.568 30.854 30.300 -0.023 0.000 1.091 123 R HN 0.278 nan 8.270 nan 0.000 0.540 124 R N 0.553 121.039 120.500 -0.024 0.000 2.750 124 R HA 0.269 4.609 4.340 -0.000 0.000 0.281 124 R C -1.021 175.288 176.300 0.016 0.000 0.972 124 R CA -1.073 55.032 56.100 0.008 0.000 0.912 124 R CB 1.410 31.716 30.300 0.010 0.000 1.187 124 R HN 0.528 nan 8.270 nan 0.000 0.464 125 D N 1.184 121.601 120.400 0.027 0.000 2.368 125 D HA 0.032 4.672 4.640 -0.000 0.000 0.240 125 D C 0.610 176.921 176.300 0.018 0.000 1.169 125 D CA 0.334 54.348 54.000 0.023 0.000 0.906 125 D CB 0.923 41.740 40.800 0.029 0.000 1.187 125 D HN 0.524 nan 8.370 nan 0.000 0.435 126 S N -0.045 115.662 115.700 0.012 0.000 2.666 126 S HA 0.486 4.956 4.470 -0.000 0.000 0.279 126 S C 0.642 175.250 174.600 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 4.653 4.340 -0.000 0.000 0.288 127 L C 0.501 177.380 176.870 0.016 0.000 1.202 127 L CA -0.113 54.738 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 -2.624 111.935 114.554 0.009 0.000 2.804 128 T HA 0.902 5.252 4.350 -0.000 0.000 0.290 128 T C -0.731 173.968 174.700 -0.001 0.000 1.099 128 T CA -0.362 61.741 62.100 0.006 0.000 1.011 128 T CB 2.846 71.716 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 5.141 4.320 -0.000 0.000 0.291 129 A C -1.445 176.133 177.584 -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 20.647 19.000 -0.012 0.000 1.291 129 A HN 0.817 nan 8.150 nan 0.000 0.410 130 N N 0.265 118.957 118.700 -0.013 0.000 2.607 130 N HA 0.171 4.911 4.740 -0.000 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 1.395 39.874 38.487 -0.014 0.000 1.306 130 N HN 0.797 nan 8.380 nan 0.000 0.536 131 R N 1.461 121.955 120.500 -0.010 0.000 2.070 131 R HA -0.066 4.274 4.340 -0.000 0.000 0.233 131 R C 0.896 177.192 176.300 -0.007 0.000 1.137 131 R CA 2.104 58.198 56.100 -0.009 0.000 0.945 131 R CB -0.115 30.183 30.300 -0.004 0.000 0.845 131 R HN 0.363 nan 8.270 nan 0.000 0.430 132 T N 2.057 116.611 114.554 -0.001 0.000 2.720 132 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 132 T C 1.685 176.387 174.700 0.002 0.000 1.037 132 T CA 1.323 63.426 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 0.131 nan 8.240 nan 0.000 0.444 133 L N 1.523 122.742 121.223 -0.005 0.000 2.042 133 L HA -0.045 4.295 4.340 -0.000 0.000 0.210 133 L C 2.652 179.512 176.870 -0.016 0.000 1.076 133 L CA 1.954 56.788 54.840 -0.010 0.000 0.749 133 L CB -1.274 40.774 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 -0.294 4.026 4.320 -0.000 0.000 0.219 134 A C 2.085 179.642 177.584 -0.046 0.000 1.197 134 A CA 2.188 54.193 52.037 -0.054 0.000 0.637 134 A CB -0.906 18.059 19.000 -0.057 0.000 0.827 134 A HN 0.636 nan 8.150 nan 0.000 0.450 135 N N 0.266 118.957 118.700 -0.016 0.000 2.223 135 N HA -0.169 4.571 4.740 -0.000 0.000 0.185 135 N C 1.683 177.215 175.510 0.037 0.000 1.016 135 N CA 1.663 54.718 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 -0.984 118.839 119.800 0.037 0.000 2.280 136 Q HA 0.227 4.567 4.340 -0.000 0.000 0.201 136 Q C 0.258 176.300 176.000 0.070 0.000 0.890 136 Q CA 0.343 56.184 55.803 0.065 0.000 0.947 136 Q CB 0.226 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 0.052 118.781 118.700 0.048 0.000 2.382 137 N HA 0.231 4.971 4.740 -0.000 0.000 0.200 137 N C -0.550 175.048 175.510 0.147 0.000 1.122 137 N CA 0.035 53.127 53.050 0.070 0.000 0.870 137 N CB 0.836 39.332 38.487 0.016 0.000 1.176 137 N HN 0.085 nan 8.380 nan 0.000 0.474 138 L N 3.293 124.531 121.223 0.025 0.000 2.281 138 L HA 0.369 4.709 4.340 -0.000 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 0.763 42.608 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 -0.334 62.666 63.100 -0.166 0.000 0.776 139 P CB 1.239 33.046 31.700 0.178 0.000 0.876 140 A N 4.581 126.505 122.820 -1.495 0.000 2.306 140 A HA 0.529 4.849 4.320 -0.000 0.000 0.330 140 A C -1.365 175.629 177.584 -0.984 0.000 1.146 140 A CA -1.639 49.642 52.037 -1.261 0.000 0.827 140 A CB 0.399 18.346 19.000 -1.754 0.000 1.178 140 A HN 0.399 nan 8.150 nan 0.000 0.490 141 P HA -0.107 nan 4.420 nan 0.000 0.225 141 P C 0.602 177.913 177.300 0.018 0.000 1.148 141 P CA 1.125 64.156 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 -2.880 117.151 119.950 0.135 0.000 2.664 142 F HA 0.383 4.910 4.527 -0.000 0.000 0.301 142 F C 0.634 176.673 175.800 0.399 0.000 1.126 142 F CA -1.652 56.492 58.000 0.240 0.000 1.373 142 F CB -1.502 37.612 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 4.718 4.527 -0.000 0.000 0.341 143 F C 0.892 176.754 175.800 0.105 0.000 1.120 143 F CA -1.293 56.732 58.000 0.041 0.000 1.232 143 F CB 0.719 39.705 39.000 -0.024 0.000 1.175 143 F HN 0.102 nan 8.300 nan 0.000 0.569 144 N N 1.852 120.689 118.700 0.229 0.000 2.447 144 N HA 0.146 4.886 4.740 -0.000 0.000 0.271 144 N C 0.561 176.149 175.510 0.130 0.000 1.226 144 N CA -0.684 52.462 53.050 0.161 0.000 0.980 144 N CB 0.546 39.094 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 4.097 4.340 -0.000 0.000 0.213 145 L C 1.603 178.508 176.870 0.058 0.000 1.072 145 L CA 2.006 56.892 54.840 0.076 0.000 0.755 145 L CB -0.735 41.358 42.059 0.058 0.000 0.889 145 L HN 0.728 nan 8.230 nan 0.000 0.432 146 T N -0.777 113.800 114.554 0.040 0.000 2.665 146 T HA -0.307 4.043 4.350 -0.000 0.000 0.268 146 T C 1.738 176.446 174.700 0.015 0.000 1.035 146 T CA 1.837 63.949 62.100 0.021 0.000 1.151 146 T CB -0.335 68.537 68.868 0.006 0.000 0.862 146 T HN 0.466 nan 8.240 nan 0.000 0.438 147 Q N 0.444 120.234 119.800 -0.017 0.000 2.084 147 Q HA -0.006 4.334 4.340 -0.000 0.000 0.202 147 Q C 2.509 178.562 176.000 0.089 0.000 0.978 147 Q CA 1.127 56.877 55.803 -0.089 0.000 0.844 147 Q CB -0.474 28.038 28.738 -0.378 0.000 0.898 147 Q HN 0.480 nan 8.270 nan 0.000 0.426 148 L N 0.755 122.086 121.223 0.179 0.000 1.989 148 L HA -0.240 4.100 4.340 -0.000 0.000 0.211 148 L C 2.414 179.385 176.870 0.169 0.000 1.071 148 L CA 1.417 56.396 54.840 0.232 0.000 0.749 148 L CB -0.512 41.625 42.059 0.130 0.000 0.890 148 L HN 0.179 nan 8.230 nan 0.000 0.431 149 K N 0.028 120.480 120.400 0.088 0.000 2.074 149 K HA -0.227 4.093 4.320 -0.000 0.000 0.209 149 K C 2.185 178.878 176.600 0.154 0.000 1.048 149 K CA 1.622 57.962 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 0.750 123.646 122.820 0.127 0.000 1.902 150 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 150 A C 2.211 179.893 177.584 0.163 0.000 1.181 150 A CA 1.992 54.096 52.037 0.111 0.000 0.623 150 A CB -0.621 18.413 19.000 0.057 0.000 0.818 150 A HN 0.293 nan 8.150 nan 0.000 0.443 151 S N -1.508 114.346 115.700 0.257 0.000 2.382 151 S HA -0.118 4.352 4.470 -0.000 0.000 0.228 151 S C 1.669 176.475 174.600 0.344 0.000 1.027 151 S CA 1.422 59.818 58.200 0.327 0.000 0.991 151 S CB -0.499 63.001 63.200 0.499 0.000 0.823 151 S HN 0.434 nan 8.310 nan 0.000 0.469 152 F N 1.852 121.904 119.950 0.170 0.000 2.259 152 F HA 0.234 4.761 4.527 -0.000 0.000 0.298 152 F C 2.497 178.308 175.800 0.019 0.000 1.088 152 F CA 0.349 58.436 58.000 0.145 0.000 1.358 152 F CB -1.001 38.117 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 -0.131 4.189 4.320 -0.000 0.000 0.217 153 A C 2.375 179.954 177.584 -0.008 0.000 1.181 153 A CA 1.757 53.842 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 3.843 4.120 -0.000 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 -0.087 0.000 0.664 154 V HN 0.593 nan 8.190 nan 0.000 0.461 155 Q N -0.434 119.187 119.800 -0.297 0.000 2.425 155 Q HA 0.188 4.528 4.340 -0.000 0.000 0.204 155 Q C 1.722 177.590 176.000 -0.220 0.000 0.933 155 Q CA 0.898 56.456 55.803 -0.410 0.000 0.939 155 Q CB 0.312 28.529 28.738 -0.868 0.000 1.044 155 Q HN 0.793 nan 8.270 nan 0.000 0.513 156 G N 0.919 109.647 108.800 -0.119 0.000 2.142 156 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.225 156 G HA3 -0.219 3.741 3.960 -0.000 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 0.226 nan 8.290 nan 0.000 0.508 157 L N 0.335 121.575 121.223 0.030 0.000 2.346 157 L HA 0.556 4.896 4.340 -0.000 0.000 0.274 157 L C 0.540 177.530 176.870 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 43.884 42.059 0.201 0.000 1.284 157 L HN 0.393 nan 8.230 nan 0.000 0.424 158 N N -0.576 118.227 118.700 0.172 0.000 2.495 158 N HA 0.259 4.999 4.740 -0.000 0.000 0.294 158 N C 0.595 176.188 175.510 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 -0.345 114.257 114.554 0.080 0.000 2.684 159 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 159 T C 1.580 176.309 174.700 0.048 0.000 1.036 159 T CA 1.259 63.385 62.100 0.044 0.000 1.148 159 T CB -0.406 68.478 68.868 0.026 0.000 0.863 159 T HN 0.420 nan 8.240 nan 0.000 0.436 160 L N 1.854 123.113 121.223 0.059 0.000 2.012 160 L HA -0.118 4.221 4.340 -0.000 0.000 0.210 160 L C 1.875 178.830 176.870 0.142 0.000 1.073 160 L CA 1.930 56.814 54.840 0.073 0.000 0.748 160 L CB -0.958 41.141 42.059 0.066 0.000 0.891 160 L HN 0.093 nan 8.230 nan 0.000 0.431 161 D N -0.507 119.988 120.400 0.158 0.000 2.133 161 D HA -0.237 4.403 4.640 -0.000 0.000 0.195 161 D C 2.192 178.649 176.300 0.261 0.000 0.997 161 D CA 1.781 55.915 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 4.210 4.340 -0.000 0.000 0.212 162 L C 2.322 179.143 176.870 -0.081 0.000 1.071 162 L CA 1.487 56.151 54.840 -0.295 0.000 0.751 162 L CB -0.807 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 -0.914 119.033 119.914 0.054 0.000 2.594 163 V HA -0.260 3.860 4.120 -0.000 0.000 0.253 163 V C 2.305 178.641 176.094 0.403 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 0.533 115.340 114.554 0.422 0.000 2.812 164 T HA -0.018 4.332 4.350 -0.000 0.000 0.264 164 T C 1.680 176.694 174.700 0.523 0.000 1.042 164 T CA 1.666 64.123 62.100 0.595 0.000 1.140 164 T CB -0.204 68.957 68.868 0.488 0.000 0.870 164 T HN 0.440 nan 8.240 nan 0.000 0.445 165 L N 0.992 122.408 121.223 0.321 0.000 2.478 165 L HA 0.068 4.408 4.340 -0.000 0.000 0.223 165 L C 2.461 179.347 176.870 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 0.282 115.942 115.700 -0.066 0.000 2.474 166 S HA -0.063 4.407 4.470 -0.000 0.000 0.235 166 S C 2.070 176.162 174.600 -0.847 0.000 0.997 166 S CA 0.917 58.886 58.200 -0.385 0.000 0.949 166 S CB -0.231 62.879 63.200 -0.149 0.000 0.766 166 S HN 0.608 nan 8.310 nan 0.000 0.517 167 G N 1.486 109.965 108.800 -0.535 0.000 2.470 167 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.220 167 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.220 167 G C 1.371 175.860 174.900 -0.685 0.000 1.121 167 G CA 0.672 45.261 45.100 -0.852 0.000 0.766 167 G HN 0.552 nan 8.290 nan 0.000 0.553 168 G N -0.206 108.422 108.800 -0.286 0.000 2.499 168 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.221 168 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.221 168 G C 1.270 176.164 174.900 -0.010 0.000 1.109 168 G CA 0.667 45.744 45.100 -0.039 0.000 0.749 168 G HN 0.673 nan 8.290 nan 0.000 0.568 169 H N -0.598 118.303 119.070 -0.282 0.000 2.556 169 H HA 0.080 4.636 4.556 -0.000 0.000 0.273 169 H C 2.214 177.504 175.328 -0.062 0.000 1.030 169 H CA 0.348 56.343 56.048 -0.088 0.000 1.156 169 H CB 0.367 30.127 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 -0.217 0.000 3.163 170 T HA -0.002 4.348 4.350 -0.000 0.000 0.260 170 T C 0.198 174.903 174.700 0.008 0.000 1.156 170 T CA 0.203 62.164 62.100 -0.231 0.000 1.072 170 T CB -0.190 68.292 68.868 -0.644 0.000 0.937 170 T HN 0.443 nan 8.240 nan 0.000 0.528 171 F N -2.649 117.295 119.950 -0.010 0.000 2.741 171 F HA 0.596 5.123 4.527 -0.000 0.000 0.313 171 F C -0.033 175.806 175.800 0.065 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 1.887 110.733 108.800 0.077 0.000 2.592 172 G HA2 0.240 4.200 3.960 -0.000 0.000 0.684 172 G HA3 0.240 4.200 3.960 -0.000 0.000 0.684 172 G C -2.029 172.879 174.900 0.013 0.000 1.291 172 G CA -1.113 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 -0.628 119.869 120.500 -0.005 0.000 2.923 173 R HA 0.986 5.326 4.340 -0.000 0.000 0.252 173 R C 0.195 176.512 176.300 0.028 0.000 1.130 173 R CA 0.126 56.238 56.100 0.019 0.000 1.043 173 R CB 1.650 31.956 30.300 0.010 0.000 1.205 173 R HN 2.070 nan 8.270 nan 0.000 0.495 174 A N 0.738 123.600 122.820 0.071 0.000 2.532 174 A HA 0.533 4.853 4.320 -0.000 0.000 0.296 174 A C -1.152 176.505 177.584 0.123 0.000 1.058 174 A CA -0.853 51.245 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 0.978 121.493 120.500 0.025 0.000 2.539 175 R HA 0.312 4.651 4.340 -0.000 0.000 0.275 175 R C 0.899 177.022 176.300 -0.295 0.000 1.077 175 R CA -0.236 55.824 56.100 -0.065 0.000 1.097 175 R CB 0.459 30.720 30.300 -0.064 0.000 1.018 175 R HN 0.789 nan 8.270 nan 0.000 0.483 176 c N 0.964 119.340 118.600 -0.373 0.000 2.363 176 c HA -0.242 4.328 4.570 -0.000 0.000 0.274 176 c C 2.844 176.455 174.090 -0.799 0.000 1.183 176 c CA 1.931 57.811 56.329 -0.747 0.000 1.771 176 c CB -1.082 41.244 42.510 -0.307 0.000 2.059 176 c HN 1.037 nan 8.230 nan 0.000 0.455 177 S N 1.029 116.503 115.700 -0.376 0.000 2.420 177 S HA -0.235 4.235 4.470 -0.000 0.000 0.237 177 S C 1.535 176.023 174.600 -0.187 0.000 1.023 177 S CA 2.173 60.238 58.200 -0.225 0.000 0.991 177 S CB -1.288 61.844 63.200 -0.114 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 -0.224 0.000 3.051 178 T HA 0.046 4.396 4.350 -0.000 0.000 0.269 178 T C 1.100 175.860 174.700 0.099 0.000 1.127 178 T CA 0.885 62.969 62.100 -0.026 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 -2.000 118.003 119.950 0.087 0.000 2.975 179 F HA 0.538 5.065 4.527 -0.000 0.000 0.366 179 F C 1.244 177.103 175.800 0.098 0.000 1.071 179 F CA -1.682 56.374 58.000 0.094 0.000 1.102 179 F CB -0.471 38.558 39.000 0.048 0.000 1.176 179 F HN 0.054 nan 8.300 nan 0.000 0.545 180 I N 2.993 123.559 120.570 -0.007 0.000 2.399 180 I HA -0.362 3.808 4.170 -0.000 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 -0.278 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 4.471 4.740 -0.000 0.000 0.185 181 N C 1.444 177.179 175.510 0.376 0.000 1.019 181 N CA 1.577 54.780 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 -0.953 119.752 120.500 0.342 0.000 2.427 182 R HA 0.246 4.586 4.340 -0.000 0.000 0.262 182 R C 0.781 177.107 176.300 0.043 0.000 0.943 182 R CA -0.315 55.905 56.100 0.200 0.000 1.081 182 R CB 0.068 30.346 30.300 -0.036 0.000 1.166 182 R HN 0.045 nan 8.270 nan 0.000 0.534 183 L N -0.695 120.579 121.223 0.086 0.000 2.357 183 L HA 0.243 4.583 4.340 -0.000 0.000 0.211 183 L C 0.752 177.346 176.870 -0.461 0.000 1.075 183 L CA 1.313 56.048 54.840 -0.176 0.000 0.830 183 L CB 0.083 42.082 42.059 -0.100 0.000 0.996 183 L HN 0.088 nan 8.230 nan 0.000 0.467 184 Y N -3.297 117.049 120.300 0.077 0.000 2.912 184 Y HA 0.333 4.883 4.550 -0.000 0.000 0.250 184 Y C 0.820 176.769 175.900 0.082 0.000 1.073 184 Y CA -0.725 57.413 58.100 0.063 0.000 1.275 184 Y CB 0.244 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 0.565 119.429 118.700 0.275 0.000 2.716 185 N HA 0.146 4.886 4.740 -0.000 0.000 0.253 185 N C -1.891 173.746 175.510 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 38.607 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 -0.000 0.000 0.348 186 F C 1.218 177.045 175.800 0.045 0.000 1.106 186 F CA 0.120 58.155 58.000 0.057 0.000 1.163 186 F CB 0.783 39.815 39.000 0.054 0.000 1.129 186 F HN 0.503 nan 8.300 nan 0.000 0.516 187 S N 3.652 119.073 115.700 -0.466 0.000 3.473 187 S HA -0.353 4.117 4.470 -0.000 0.000 0.339 187 S C 0.752 175.288 174.600 -0.107 0.000 1.148 187 S CA 1.199 59.214 58.200 -0.308 0.000 0.969 187 S CB -1.808 61.239 63.200 -0.255 0.000 0.936 187 S HN 0.995 nan 8.310 nan 0.000 0.530 188 N N -1.261 117.403 118.700 -0.060 0.000 2.800 188 N HA -0.213 4.527 4.740 -0.000 0.000 0.250 188 N C 0.828 176.347 175.510 0.015 0.000 1.078 188 N CA 2.262 55.302 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 -4.500 110.078 114.554 0.041 0.000 3.067 189 T HA 0.314 4.664 4.350 -0.000 0.000 0.261 189 T C 1.768 176.508 174.700 0.067 0.000 1.110 189 T CA 1.315 63.451 62.100 0.060 0.000 1.113 189 T CB -0.062 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 1.475 110.322 108.800 0.079 0.000 2.179 190 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.260 190 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.260 190 G C -0.075 174.882 174.900 0.094 0.000 0.977 190 G CA 0.090 45.238 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 5.283 4.740 -0.000 0.000 0.303 191 N C -3.036 172.536 175.510 0.103 0.000 1.140 191 N CA -1.470 51.631 53.050 0.086 0.000 0.788 191 N CB 2.013 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 -0.319 176.934 177.300 -0.078 0.000 1.208 192 P CA 0.071 63.155 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 3.224 123.456 120.400 -0.281 0.000 2.472 193 D HA -0.026 4.614 4.640 -0.000 0.000 0.248 193 D C -1.161 174.964 176.300 -0.291 0.000 1.174 193 D CA -1.627 51.999 54.000 -0.624 0.000 0.883 193 D CB 0.188 40.334 40.800 -1.091 0.000 1.149 193 D HN 0.231 nan 8.370 nan 0.000 0.488 194 P HA -0.095 nan 4.420 nan 0.000 0.236 194 P C 0.546 177.794 177.300 -0.087 0.000 1.172 194 P CA 0.803 63.850 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 4.647 4.350 -0.000 0.000 0.260 195 T C 0.230 174.887 174.700 -0.071 0.000 1.027 195 T CA -0.519 61.533 62.100 -0.079 0.000 0.913 195 T CB -0.392 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 2.384 123.551 121.223 -0.093 0.000 2.296 196 L HA 0.528 4.868 4.340 -0.000 0.000 0.286 196 L C -0.215 176.638 176.870 -0.028 0.000 1.023 196 L CA -0.910 53.893 54.840 -0.061 0.000 0.812 196 L CB 1.202 43.197 42.059 -0.105 0.000 1.223 196 L HN 0.091 nan 8.230 nan 0.000 0.421 197 N N 2.814 121.523 118.700 0.015 0.000 2.292 197 N HA -0.107 4.633 4.740 -0.000 0.000 0.258 197 N C 0.472 175.996 175.510 0.023 0.000 1.261 197 N CA 0.979 54.042 53.050 0.022 0.000 0.845 197 N CB 1.006 39.512 38.487 0.032 0.000 1.064 197 N HN 0.848 nan 8.380 nan 0.000 0.471 198 T N 2.531 117.085 114.554 -0.000 0.000 2.867 198 T HA -0.092 4.258 4.350 -0.000 0.000 0.268 198 T C 1.630 176.331 174.700 0.002 0.000 1.057 198 T CA 1.633 63.726 62.100 -0.012 0.000 1.136 198 T CB -0.101 68.757 68.868 -0.017 0.000 0.874 198 T HN 0.584 nan 8.240 nan 0.000 0.466 199 T N 1.070 115.637 114.554 0.023 0.000 2.737 199 T HA -0.080 4.270 4.350 -0.000 0.000 0.265 199 T C 1.639 176.390 174.700 0.085 0.000 1.038 199 T CA 0.902 63.023 62.100 0.035 0.000 1.144 199 T CB -0.479 68.403 68.868 0.024 0.000 0.866 199 T HN 0.323 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 4.525 4.550 -0.000 0.000 0.289 200 Y C 2.100 177.949 175.900 -0.084 0.000 1.146 200 Y CA 0.165 58.216 58.100 -0.081 0.000 1.182 200 Y CB -0.834 37.563 38.460 -0.104 0.000 0.983 200 Y HN 0.111 nan 8.280 nan 0.000 0.524 201 L N 0.424 121.622 121.223 -0.042 0.000 2.263 201 L HA -0.181 4.159 4.340 -0.000 0.000 0.216 201 L C 1.857 178.644 176.870 -0.138 0.000 1.111 201 L CA 1.873 56.627 54.840 -0.143 0.000 0.773 201 L CB -0.554 41.439 42.059 -0.110 0.000 0.906 201 L HN 0.128 nan 8.230 nan 0.000 0.439 202 E N -0.589 119.567 120.200 -0.073 0.000 2.045 202 E HA -0.029 4.321 4.350 -0.000 0.000 0.190 202 E C 2.293 178.868 176.600 -0.043 0.000 0.968 202 E CA 1.439 57.808 56.400 -0.051 0.000 0.813 202 E CB -0.787 28.903 29.700 -0.018 0.000 0.780 202 E HN 0.377 nan 8.360 nan 0.000 0.455 203 V N 2.253 122.155 119.914 -0.021 0.000 2.317 203 V HA -0.276 3.844 4.120 -0.000 0.000 0.251 203 V C 2.602 178.663 176.094 -0.056 0.000 1.065 203 V CA 1.629 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 -0.732 120.391 121.223 -0.168 0.000 2.056 204 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 204 L C 2.799 179.656 176.870 -0.022 0.000 1.078 204 L CA 1.564 56.302 54.840 -0.170 0.000 0.749 204 L CB -0.544 41.291 42.059 -0.375 0.000 0.901 204 L HN 0.184 nan 8.230 nan 0.000 0.433 205 R N -0.221 120.252 120.500 -0.045 0.000 2.193 205 R HA -0.115 4.225 4.340 -0.000 0.000 0.229 205 R C 2.344 178.698 176.300 0.089 0.000 1.110 205 R CA 1.013 57.134 56.100 0.035 0.000 0.988 205 R CB -0.341 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 0.041 0.000 1.841 206 A HA -0.147 4.173 4.320 -0.000 0.000 0.214 206 A C 2.070 179.686 177.584 0.053 0.000 1.195 206 A CA 1.102 53.166 52.037 0.045 0.000 0.611 206 A CB -0.367 18.649 19.000 0.028 0.000 0.835 206 A HN 0.161 nan 8.150 nan 0.000 0.443 207 R N -1.522 119.010 120.500 0.052 0.000 2.148 207 R HA -0.059 4.281 4.340 -0.000 0.000 0.227 207 R C -0.398 175.946 176.300 0.074 0.000 1.103 207 R CA 1.104 57.241 56.100 0.061 0.000 0.983 207 R CB -0.223 30.119 30.300 0.071 0.000 0.874 207 R HN 0.523 nan 8.270 nan 0.000 0.451 208 c N 1.180 119.842 118.600 0.103 0.000 2.647 208 c HA 0.418 4.987 4.570 -0.000 0.000 0.273 208 c C -2.160 172.022 174.090 0.153 0.000 1.088 208 c CA -2.081 54.312 56.329 0.107 0.000 1.529 208 c CB 0.825 43.415 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 0.526 177.781 177.300 -0.076 0.000 1.273 209 P CA 0.329 63.464 63.100 0.058 0.000 0.809 209 P CB 0.541 32.243 31.700 0.002 0.000 1.246 210 Q N -0.650 118.998 119.800 -0.254 0.000 2.247 210 Q HA 0.131 4.471 4.340 -0.000 0.000 0.204 210 Q C -0.677 175.150 176.000 -0.289 0.000 0.872 210 Q CA 0.149 55.608 55.803 -0.574 0.000 0.951 210 Q CB 0.025 28.339 28.738 -0.707 0.000 1.099 210 Q HN 0.278 nan 8.270 nan 0.000 0.501 211 N N -0.565 118.037 118.700 -0.164 0.000 5.698 211 N HA 0.148 4.888 4.740 -0.000 0.000 0.140 211 N C -2.056 173.414 175.510 -0.066 0.000 1.032 211 N CA 0.441 53.428 53.050 -0.105 0.000 1.114 211 N CB 0.751 39.180 38.487 -0.097 0.000 1.506 211 N HN 0.130 nan 8.380 nan 0.000 1.091 212 A N 1.386 124.174 122.820 -0.052 0.000 2.686 212 A HA 0.735 5.055 4.320 -0.000 0.000 0.263 212 A C 0.451 178.016 177.584 -0.031 0.000 1.264 212 A CA -0.153 51.864 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 0.484 115.024 114.554 -0.023 0.000 3.235 213 T HA 0.518 4.867 4.350 -0.000 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 -0.559 68.300 68.868 -0.015 0.000 1.020 213 T HN 1.755 nan 8.240 nan 0.000 0.564 214 G N 0.251 109.035 108.800 -0.026 0.000 2.356 214 G HA2 0.204 4.164 3.960 -0.000 0.000 0.300 214 G HA3 0.204 4.164 3.960 -0.000 0.000 0.300 214 G C -2.292 172.587 174.900 -0.034 0.000 1.331 214 G CA -0.995 44.088 45.100 -0.028 0.000 0.905 214 G HN -0.006 nan 8.290 nan 0.000 0.587 215 D N 1.409 121.786 120.400 -0.037 0.000 2.325 215 D HA 0.290 4.930 4.640 -0.000 0.000 0.251 215 D C 0.200 176.480 176.300 -0.032 0.000 1.196 215 D CA 0.017 53.988 54.000 -0.049 0.000 0.866 215 D CB 0.551 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 2.240 120.923 118.700 -0.028 0.000 2.476 216 N HA 0.321 5.061 4.740 -0.000 0.000 0.275 216 N C -0.212 175.306 175.510 0.013 0.000 1.190 216 N CA -0.553 52.497 53.050 -0.001 0.000 0.977 216 N CB 1.364 39.860 38.487 0.015 0.000 1.200 216 N HN 0.182 nan 8.380 nan 0.000 0.515 217 L N -0.017 121.225 121.223 0.032 0.000 2.344 217 L HA 0.530 4.870 4.340 -0.000 0.000 0.272 217 L C 0.678 177.600 176.870 0.087 0.000 1.035 217 L CA -0.136 54.736 54.840 0.053 0.000 0.807 217 L CB 1.579 43.657 42.059 0.033 0.000 1.237 217 L HN 0.593 nan 8.230 nan 0.000 0.442 218 T N 1.023 115.651 114.554 0.123 0.000 2.982 218 T HA 0.423 4.773 4.350 -0.000 0.000 0.321 218 T C -0.953 173.810 174.700 0.105 0.000 1.229 218 T CA -0.894 61.282 62.100 0.127 0.000 1.044 218 T CB 0.747 69.726 68.868 0.185 0.000 1.184 218 T HN 0.511 nan 8.240 nan 0.000 0.477 219 N N 3.522 122.270 118.700 0.080 0.000 2.492 219 N HA 0.158 4.898 4.740 -0.000 0.000 0.260 219 N C 1.285 176.831 175.510 0.061 0.000 1.215 219 N CA -0.121 52.969 53.050 0.067 0.000 0.923 219 N CB 0.986 39.510 38.487 0.062 0.000 1.092 219 N HN 0.562 nan 8.380 nan 0.000 0.448 220 L N 0.139 121.394 121.223 0.054 0.000 2.313 220 L HA -0.017 4.323 4.340 -0.000 0.000 0.214 220 L C 0.467 177.366 176.870 0.048 0.000 1.119 220 L CA 0.898 55.758 54.840 0.035 0.000 0.809 220 L CB -0.040 42.033 42.059 0.022 0.000 0.933 220 L HN 0.468 nan 8.230 nan 0.000 0.449 221 D N -0.399 120.030 120.400 0.048 0.000 2.389 221 D HA 0.208 4.848 4.640 -0.000 0.000 0.256 221 D C 0.737 177.022 176.300 -0.025 0.000 1.239 221 D CA -0.520 53.480 54.000 0.000 0.000 0.925 221 D CB 1.071 41.886 40.800 0.025 0.000 1.145 221 D HN -0.095 nan 8.370 nan 0.000 0.542 222 L N 1.347 122.520 121.223 -0.084 0.000 2.450 222 L HA 0.095 4.435 4.340 -0.000 0.000 0.224 222 L C 1.534 178.349 176.870 -0.092 0.000 1.149 222 L CA 0.959 55.744 54.840 -0.093 0.000 0.816 222 L CB -1.448 40.474 42.059 -0.229 0.000 0.932 222 L HN 0.129 nan 8.230 nan 0.000 0.449 223 S N 0.051 115.691 115.700 -0.099 0.000 2.315 223 S HA 0.025 4.495 4.470 -0.000 0.000 0.211 223 S C 1.196 175.775 174.600 -0.035 0.000 1.029 223 S CA 1.154 59.307 58.200 -0.079 0.000 0.956 223 S CB -0.384 62.758 63.200 -0.098 0.000 0.918 223 S HN 0.686 nan 8.310 nan 0.000 0.470 224 T N -0.438 114.104 114.554 -0.020 0.000 3.390 224 T HA 0.431 4.781 4.350 -0.000 0.000 0.351 224 T C -2.576 172.155 174.700 0.052 0.000 1.759 224 T CA -1.619 60.491 62.100 0.017 0.000 1.561 224 T CB 1.071 69.950 68.868 0.019 0.000 1.011 224 T HN -0.094 nan 8.240 nan 0.000 0.689 225 P HA -0.151 nan 4.420 nan 0.000 0.219 225 P C 0.746 178.128 177.300 0.137 0.000 1.151 225 P CA 1.365 64.514 63.100 0.083 0.000 0.850 225 P CB 0.145 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 4.703 4.640 -0.000 0.000 0.217 226 D C 0.532 177.007 176.300 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 41.163 40.800 0.118 0.000 1.039 226 D HN 0.244 nan 8.370 nan 0.000 0.512 227 Q N 0.357 120.290 119.800 0.221 0.000 2.256 227 Q HA 0.265 4.605 4.340 -0.000 0.000 0.257 227 Q C -1.086 175.011 176.000 0.161 0.000 0.936 227 Q CA -0.638 55.292 55.803 0.212 0.000 0.903 227 Q CB 1.281 30.105 28.738 0.143 0.000 1.263 227 Q HN -0.084 nan 8.270 nan 0.000 0.440 228 F N 5.204 125.170 119.950 0.025 0.000 2.439 228 F HA 0.206 4.733 4.527 -0.000 0.000 0.356 228 F C -0.851 175.004 175.800 0.092 0.000 1.161 228 F CA 0.112 58.028 58.000 -0.141 0.000 1.151 228 F CB 0.144 38.981 39.000 -0.272 0.000 1.222 228 F HN 0.600 nan 8.300 nan 0.000 0.558 229 D N 1.396 121.743 120.400 -0.088 0.000 2.615 229 D HA 0.121 4.761 4.640 -0.000 0.000 0.267 229 D C -0.335 175.936 176.300 -0.048 0.000 1.236 229 D CA -0.983 53.099 54.000 0.136 0.000 0.839 229 D CB 0.353 41.206 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 -0.112 4.628 4.740 -0.000 0.000 0.199 230 N C 0.609 176.058 175.510 -0.101 0.000 1.277 230 N CA -0.423 52.544 53.050 -0.138 0.000 0.870 230 N CB 0.110 38.560 38.487 -0.061 0.000 1.028 230 N HN 0.074 nan 8.380 nan 0.000 0.452 231 R N 0.383 120.810 120.500 -0.121 0.000 2.120 231 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 231 R C 1.483 177.681 176.300 -0.170 0.000 1.123 231 R CA 0.905 56.933 56.100 -0.120 0.000 0.975 231 R CB -1.317 28.922 30.300 -0.101 0.000 0.866 231 R HN 0.536 nan 8.270 nan 0.000 0.446 232 Y N 0.567 120.633 120.300 -0.389 0.000 2.193 232 Y HA -0.299 4.251 4.550 -0.000 0.000 0.285 232 Y C 1.593 177.178 175.900 -0.527 0.000 1.166 232 Y CA 1.513 59.318 58.100 -0.492 0.000 1.181 232 Y CB -0.434 37.614 38.460 -0.688 0.000 0.976 232 Y HN 0.040 nan 8.280 nan 0.000 0.520 233 Y N -0.959 119.239 120.300 -0.169 0.000 2.365 233 Y HA -0.095 4.455 4.550 -0.000 0.000 0.293 233 Y C 2.642 178.360 175.900 -0.304 0.000 1.119 233 Y CA 1.008 58.974 58.100 -0.223 0.000 1.203 233 Y CB -0.298 38.093 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 4.301 4.470 -0.000 0.000 0.224 234 S C 1.705 176.155 174.600 -0.250 0.000 1.029 234 S CA 1.176 59.272 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 2.066 120.592 118.700 -0.290 0.000 2.149 235 N HA -0.042 4.698 4.740 -0.000 0.000 0.188 235 N C 1.627 176.937 175.510 -0.335 0.000 1.019 235 N CA 0.901 53.760 53.050 -0.318 0.000 0.857 235 N CB -0.579 37.693 38.487 -0.360 0.000 0.997 235 N HN 0.390 nan 8.380 nan 0.000 0.426 236 L N 0.115 121.092 121.223 -0.409 0.000 2.083 236 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 236 L C 1.811 178.406 176.870 -0.458 0.000 1.083 236 L CA 0.601 55.208 54.840 -0.390 0.000 0.752 236 L CB -0.437 41.372 42.059 -0.416 0.000 0.899 236 L HN 0.081 nan 8.230 nan 0.000 0.433 237 L N -0.548 120.324 121.223 -0.586 0.000 2.191 237 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 237 L C 1.978 178.749 176.870 -0.165 0.000 1.103 237 L CA 1.500 56.016 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 -0.647 119.054 119.800 -0.165 0.000 2.189 238 Q HA 0.265 4.605 4.340 -0.000 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 -0.000 0.000 0.418 239 L C -0.128 176.698 176.870 -0.073 0.000 1.216 239 L CA 0.822 55.641 54.840 -0.036 0.000 0.915 239 L CB -2.462 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 -0.423 118.179 118.700 -0.164 0.000 2.279 240 N HA 0.370 5.110 4.740 -0.000 0.000 0.226 240 N C 1.048 176.428 175.510 -0.217 0.000 1.126 240 N CA 0.488 53.384 53.050 -0.257 0.000 0.846 240 N CB 0.702 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 4.113 3.960 -0.000 0.000 0.267 241 G HA3 0.153 4.113 3.960 -0.000 0.000 0.267 241 G C 0.914 175.786 174.900 -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 3.508 124.704 121.223 -0.044 0.000 1.988 242 L HA 0.193 4.533 4.340 -0.000 0.000 0.207 242 L C 1.503 178.291 176.870 -0.137 0.000 1.071 242 L CA 1.325 56.087 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 -0.239 120.983 121.223 -0.001 0.000 2.439 243 L HA 0.081 4.421 4.340 -0.000 0.000 0.261 243 L C 1.535 178.476 176.870 0.119 0.000 1.153 243 L CA 0.086 54.991 54.840 0.107 0.000 0.808 243 L CB 0.614 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 0.720 120.625 119.800 0.174 0.000 2.124 244 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 244 Q C 1.890 177.995 176.000 0.175 0.000 0.977 244 Q CA 1.960 57.874 55.803 0.184 0.000 0.850 244 Q CB 0.145 29.055 28.738 0.286 0.000 0.901 244 Q HN 0.866 nan 8.270 nan 0.000 0.429 245 S N -0.372 115.438 115.700 0.183 0.000 2.515 245 S HA -0.081 4.389 4.470 -0.000 0.000 0.231 245 S C 1.097 175.799 174.600 0.169 0.000 0.987 245 S CA 0.788 59.092 58.200 0.173 0.000 0.936 245 S CB 0.064 63.361 63.200 0.161 0.000 0.766 245 S HN 0.334 nan 8.310 nan 0.000 0.528 246 D N 1.620 122.125 120.400 0.176 0.000 2.106 246 D HA -0.045 4.595 4.640 -0.000 0.000 0.203 246 D C 2.099 178.444 176.300 0.076 0.000 0.977 246 D CA 1.213 55.313 54.000 0.166 0.000 0.844 246 D CB -0.529 40.348 40.800 0.129 0.000 1.002 246 D HN 0.368 nan 8.370 nan 0.000 0.461 247 Q N 1.345 121.172 119.800 0.046 0.000 2.096 247 Q HA -0.168 4.172 4.340 -0.000 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 -0.448 119.816 120.200 0.107 0.000 2.273 248 E HA -0.197 4.153 4.350 -0.000 0.000 0.198 248 E C 1.696 178.362 176.600 0.110 0.000 1.002 248 E CA 0.970 57.434 56.400 0.108 0.000 0.828 248 E CB -0.207 29.566 29.700 0.123 0.000 0.747 248 E HN 0.418 nan 8.360 nan 0.000 0.491 249 L N -0.732 120.572 121.223 0.136 0.000 2.291 249 L HA -0.109 4.231 4.340 -0.000 0.000 0.214 249 L C 1.989 178.985 176.870 0.210 0.000 1.120 249 L CA 0.645 55.577 54.840 0.153 0.000 0.799 249 L CB -0.081 42.087 42.059 0.182 0.000 0.925 249 L HN 0.147 nan 8.230 nan 0.000 0.446 250 F N -0.983 118.977 119.950 0.017 0.000 2.592 250 F HA 0.136 4.662 4.527 -0.000 0.000 0.280 250 F C 1.970 177.768 175.800 -0.003 0.000 1.083 250 F CA 0.159 58.161 58.000 0.002 0.000 1.365 250 F CB 0.340 39.332 39.000 -0.014 0.000 1.100 250 F HN -0.227 nan 8.300 nan 0.000 0.633 251 S N 0.173 115.895 115.700 0.036 0.000 2.685 251 S HA 0.143 4.613 4.470 -0.000 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 -0.545 62.665 63.200 0.015 0.000 0.776 251 S HN 0.121 nan 8.310 nan 0.000 0.467 252 T N 5.583 120.109 114.554 -0.047 0.000 2.929 252 T HA 0.240 4.590 4.350 -0.000 0.000 0.331 252 T C -2.508 172.161 174.700 -0.051 0.000 1.120 252 T CA -1.521 60.568 62.100 -0.019 0.000 0.973 252 T CB 0.660 69.537 68.868 0.014 0.000 1.036 252 T HN 0.142 nan 8.240 nan 0.000 0.502 253 P HA 0.103 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 0.946 64.009 63.100 -0.062 0.000 0.762 253 P CB 0.494 32.168 31.700 -0.043 0.000 0.753 254 G N 2.408 111.177 108.800 -0.052 0.000 2.981 254 G HA2 0.070 4.030 3.960 -0.000 0.000 0.199 254 G HA3 0.070 4.030 3.960 -0.000 0.000 0.199 254 G C 0.446 175.323 174.900 -0.038 0.000 1.586 254 G CA 0.690 45.769 45.100 -0.035 0.000 1.162 254 G HN 0.903 nan 8.290 nan 0.000 0.538 255 A N -0.184 122.614 122.820 -0.036 0.000 5.327 255 A HA 0.203 4.523 4.320 -0.000 0.000 0.280 255 A C 1.585 179.162 177.584 -0.011 0.000 2.126 255 A CA 3.390 55.410 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 -5.120 115.273 120.400 -0.012 0.000 1.611 256 D HA -0.164 4.476 4.640 -0.000 0.000 0.244 256 D C 1.057 177.352 176.300 -0.009 0.000 0.894 256 D CA 3.032 57.027 54.000 -0.009 0.000 1.202 256 D CB -1.810 38.988 40.800 -0.003 0.000 1.451 256 D HN 1.821 nan 8.370 nan 0.000 0.753 257 T N -0.662 113.895 114.554 0.005 0.000 3.057 257 T HA 0.304 4.654 4.350 -0.000 0.000 0.254 257 T C 2.272 176.993 174.700 0.035 0.000 1.094 257 T CA 0.707 62.815 62.100 0.013 0.000 1.088 257 T CB -0.277 68.615 68.868 0.041 0.000 0.934 257 T HN 0.409 nan 8.240 nan 0.000 0.497 258 I N 2.651 123.251 120.570 0.050 0.000 2.118 258 I HA -0.108 4.062 4.170 -0.000 0.000 0.241 258 I C -0.163 176.005 176.117 0.086 0.000 1.070 258 I CA 1.511 62.879 61.300 0.114 0.000 1.327 258 I CB -1.122 36.886 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 1.797 64.885 63.100 -0.020 0.000 0.822 259 P CB -0.156 31.523 31.700 -0.034 0.000 0.784 260 I N -0.808 119.676 120.570 -0.145 0.000 2.252 260 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 260 I C 2.563 178.434 176.117 -0.411 0.000 1.102 260 I CA 1.036 62.125 61.300 -0.352 0.000 1.385 260 I CB -0.841 36.954 38.000 -0.342 0.000 1.064 260 I HN -0.191 nan 8.210 nan 0.000 0.414 261 V N 1.409 121.240 119.914 -0.139 0.000 2.343 261 V HA -0.289 3.830 4.120 -0.000 0.000 0.247 261 V C 2.031 178.078 176.094 -0.078 0.000 1.051 261 V CA 2.281 64.557 62.300 -0.039 0.000 1.036 261 V CB -1.041 30.862 31.823 0.133 0.000 0.654 261 V HN 0.470 nan 8.190 nan 0.000 0.451 262 N N -0.071 118.610 118.700 -0.030 0.000 2.043 262 N HA -0.216 4.524 4.740 -0.000 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 38.225 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 -0.096 0.000 2.368 263 S HA -0.194 4.276 4.470 -0.000 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 62.503 63.200 -0.192 0.000 0.931 263 S HN 0.322 nan 8.310 nan 0.000 0.440 264 F N 0.773 120.612 119.950 -0.186 0.000 2.075 264 F HA -0.095 4.432 4.527 -0.000 0.000 0.297 264 F C 3.151 178.821 175.800 -0.217 0.000 1.113 264 F CA 0.873 58.703 58.000 -0.284 0.000 1.218 264 F CB -0.690 37.830 39.000 -0.799 0.000 0.984 264 F HN 0.303 nan 8.300 nan 0.000 0.472 265 S N -0.392 115.316 115.700 0.012 0.000 2.440 265 S HA -0.182 4.288 4.470 -0.000 0.000 0.240 265 S C 1.984 176.582 174.600 -0.003 0.000 1.014 265 S CA 1.582 59.790 58.200 0.013 0.000 0.980 265 S CB -0.301 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 0.907 116.613 115.700 0.010 0.000 2.327 266 S HA 0.070 4.540 4.470 -0.000 0.000 0.213 266 S C 0.843 175.449 174.600 0.009 0.000 1.032 266 S CA 0.302 58.505 58.200 0.005 0.000 0.960 266 S CB -0.316 62.890 63.200 0.010 0.000 0.900 266 S HN 0.748 nan 8.310 nan 0.000 0.469 267 N N 1.217 119.940 118.700 0.039 0.000 2.546 267 N HA 0.179 4.919 4.740 -0.000 0.000 0.238 267 N C 0.727 176.251 175.510 0.025 0.000 0.984 267 N CA -0.159 52.908 53.050 0.028 0.000 0.935 267 N CB 0.665 39.182 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 -0.240 4.100 4.340 -0.000 0.000 0.202 268 Q C 1.434 177.288 176.000 -0.243 0.000 0.977 268 Q CA 1.434 57.153 55.803 -0.141 0.000 0.850 268 Q CB 0.013 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 -0.447 118.140 118.700 -0.188 0.000 2.120 269 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 269 N C 1.448 176.972 175.510 0.024 0.000 1.024 269 N CA 1.874 54.861 53.050 -0.106 0.000 0.852 269 N CB -0.327 38.138 38.487 -0.038 0.000 1.003 269 N HN 0.236 nan 8.380 nan 0.000 0.424 270 T N 0.721 115.310 114.554 0.058 0.000 2.652 270 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 270 T C 1.601 176.361 174.700 0.100 0.000 1.039 270 T CA 1.353 63.536 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 0.331 nan 8.240 nan 0.000 0.428 271 F N 1.806 121.620 119.950 -0.227 0.000 2.065 271 F HA -0.131 4.396 4.527 -0.000 0.000 0.298 271 F C 1.813 177.505 175.800 -0.180 0.000 1.112 271 F CA 1.002 58.506 58.000 -0.827 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 1.130 120.713 119.950 -0.611 0.000 2.115 272 F HA -0.238 4.289 4.527 -0.000 0.000 0.300 272 F C 2.845 178.490 175.800 -0.258 0.000 1.092 272 F CA 1.604 59.304 58.000 -0.500 0.000 1.245 272 F CB -1.600 37.302 39.000 -0.163 0.000 0.995 272 F HN 0.035 nan 8.300 nan 0.000 0.481 273 S N -0.341 115.387 115.700 0.046 0.000 2.371 273 S HA -0.137 4.333 4.470 -0.000 0.000 0.224 273 S C 1.869 176.468 174.600 -0.002 0.000 1.029 273 S CA 0.843 59.066 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 0.663 119.374 118.700 0.018 0.000 2.223 274 N HA -0.049 4.691 4.740 -0.000 0.000 0.185 274 N C 1.425 176.933 175.510 -0.004 0.000 1.016 274 N CA 0.783 53.878 53.050 0.074 0.000 0.863 274 N CB -0.321 38.342 38.487 0.293 0.000 0.983 274 N HN 0.309 nan 8.380 nan 0.000 0.429 275 F N 2.984 122.765 119.950 -0.280 0.000 2.046 275 F HA -0.149 4.378 4.527 -0.000 0.000 0.297 275 F C 2.377 177.895 175.800 -0.470 0.000 1.123 275 F CA 1.509 59.306 58.000 -0.339 0.000 1.199 275 F CB -0.251 38.461 39.000 -0.479 0.000 0.972 275 F HN -0.058 nan 8.300 nan 0.000 0.474 276 R N -0.226 120.035 120.500 -0.398 0.000 2.119 276 R HA -0.204 4.136 4.340 -0.000 0.000 0.246 276 R C 2.042 177.882 176.300 -0.766 0.000 1.146 276 R CA 1.910 57.534 56.100 -0.793 0.000 0.962 276 R CB -1.521 28.645 30.300 -0.225 0.000 0.863 276 R HN 0.294 nan 8.270 nan 0.000 0.442 277 V N 1.017 120.693 119.914 -0.397 0.000 2.270 277 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 277 V C 2.357 178.272 176.094 -0.300 0.000 1.043 277 V CA 2.116 64.251 62.300 -0.275 0.000 1.014 277 V CB -0.458 31.291 31.823 -0.123 0.000 0.645 277 V HN 0.304 nan 8.190 nan 0.000 0.447 278 S N -0.474 115.052 115.700 -0.290 0.000 2.383 278 S HA -0.184 4.286 4.470 -0.000 0.000 0.229 278 S C 1.974 176.370 174.600 -0.340 0.000 1.030 278 S CA 1.515 59.574 58.200 -0.235 0.000 1.002 278 S CB -0.327 62.784 63.200 -0.148 0.000 0.829 278 S HN 0.361 nan 8.310 nan 0.000 0.467 279 M N 0.745 119.965 119.600 -0.634 0.000 2.229 279 M HA 0.052 4.532 4.480 -0.000 0.000 0.264 279 M C 1.981 178.087 176.300 -0.325 0.000 1.063 279 M CA 1.156 56.116 55.300 -0.567 0.000 1.114 279 M CB -1.124 30.906 32.600 -0.950 0.000 1.387 279 M HN 0.324 nan 8.290 nan 0.000 0.420 280 I N -0.351 119.976 120.570 -0.405 0.000 2.202 280 I HA -0.310 3.859 4.170 -0.000 0.000 0.242 280 I C 2.526 178.586 176.117 -0.095 0.000 1.091 280 I CA 1.132 62.309 61.300 -0.204 0.000 1.368 280 I CB -0.483 37.383 38.000 -0.223 0.000 1.058 280 I HN 0.291 nan 8.210 nan 0.000 0.410 281 K N 1.055 121.387 120.400 -0.112 0.000 2.044 281 K HA -0.255 4.065 4.320 -0.000 0.000 0.210 281 K C 2.306 178.892 176.600 -0.025 0.000 1.049 281 K CA 1.830 58.083 56.287 -0.056 0.000 0.927 281 K CB -0.132 32.337 32.500 -0.050 0.000 0.713 281 K HN 0.189 nan 8.250 nan 0.000 0.443 282 M N -0.234 119.354 119.600 -0.020 0.000 2.159 282 M HA -0.072 4.408 4.480 -0.000 0.000 0.263 282 M C 1.533 177.864 176.300 0.052 0.000 1.063 282 M CA 1.931 57.250 55.300 0.032 0.000 1.110 282 M CB -0.128 32.503 32.600 0.052 0.000 1.374 282 M HN 0.254 nan 8.290 nan 0.000 0.411 283 G N 0.192 109.047 108.800 0.091 0.000 2.990 283 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.206 283 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.206 283 G C 0.878 175.827 174.900 0.083 0.000 1.169 283 G CA 0.134 45.330 45.100 0.161 0.000 0.819 283 G HN 0.503 nan 8.290 nan 0.000 0.517 284 N N -0.136 118.585 118.700 0.034 0.000 2.171 284 N HA 0.160 4.900 4.740 -0.000 0.000 0.212 284 N C 0.378 175.884 175.510 -0.007 0.000 1.184 284 N CA -0.270 52.787 53.050 0.012 0.000 0.888 284 N CB 0.764 39.251 38.487 0.000 0.000 1.038 284 N HN 0.213 nan 8.380 nan 0.000 0.517 285 I N 1.197 121.758 120.570 -0.014 0.000 2.668 285 I HA -0.023 4.147 4.170 -0.000 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 0.404 38.368 38.000 -0.060 0.000 1.377 285 I HN 0.179 nan 8.210 nan 0.000 0.560 286 G N 5.111 113.885 108.800 -0.043 0.000 2.422 286 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.301 286 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.301 286 G C 0.196 175.082 174.900 -0.024 0.000 0.981 286 G CA -0.104 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 0.055 119.958 119.914 -0.019 0.000 2.843 287 V HA 0.357 4.477 4.120 -0.000 0.000 0.305 287 V C 1.073 177.157 176.094 -0.017 0.000 1.065 287 V CA 0.042 62.334 62.300 -0.015 0.000 1.116 287 V CB 1.441 33.256 31.823 -0.014 0.000 0.968 287 V HN 0.347 nan 8.190 nan 0.000 0.487 288 L N 5.278 126.491 121.223 -0.017 0.000 2.305 288 L HA 0.598 4.937 4.340 -0.000 0.000 0.284 288 L C 0.187 177.040 176.870 -0.028 0.000 1.013 288 L CA -0.227 54.603 54.840 -0.016 0.000 0.819 288 L CB 1.659 43.714 42.059 -0.008 0.000 1.227 288 L HN 0.849 nan 8.230 nan 0.000 0.417 289 T N -1.325 113.214 114.554 -0.025 0.000 2.773 289 T HA 0.797 5.147 4.350 -0.000 0.000 0.278 289 T C 0.708 175.405 174.700 -0.006 0.000 1.011 289 T CA -0.045 62.033 62.100 -0.036 0.000 1.014 289 T CB 1.860 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 3.592 3.960 -0.000 0.000 0.331 290 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.331 290 G C 0.471 175.396 174.900 0.043 0.000 1.216 290 G CA 1.063 46.186 45.100 0.039 0.000 0.977 290 G HN 1.249 nan 8.290 nan 0.000 0.600 291 D N 1.614 122.032 120.400 0.029 0.000 2.469 291 D HA 0.177 4.817 4.640 -0.000 0.000 0.213 291 D C 0.517 176.830 176.300 0.022 0.000 1.135 291 D CA 0.357 54.374 54.000 0.029 0.000 0.834 291 D CB 0.032 40.846 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 -0.000 0.000 0.264 292 E C 1.095 177.703 176.600 0.014 0.000 1.050 292 E CA 0.269 56.676 56.400 0.012 0.000 0.896 292 E CB 0.782 30.485 29.700 0.005 0.000 0.982 292 E HN 0.285 nan 8.360 nan 0.000 0.424 293 G N 2.167 110.975 108.800 0.014 0.000 2.564 293 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.273 293 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.273 293 G C -0.079 174.836 174.900 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 -2.491 117.728 120.200 0.030 0.000 2.368 294 E HA 0.676 5.026 4.350 -0.000 0.000 0.257 294 E C -1.252 175.377 176.600 0.049 0.000 1.022 294 E CA -1.134 55.289 56.400 0.039 0.000 0.886 294 E CB 1.127 30.849 29.700 0.037 0.000 1.740 294 E HN 0.590 nan 8.360 nan 0.000 0.456 295 I N 1.768 122.371 120.570 0.056 0.000 2.464 295 I HA 0.335 4.505 4.170 -0.000 0.000 0.277 295 I C -0.024 176.127 176.117 0.057 0.000 1.040 295 I CA -0.521 60.819 61.300 0.067 0.000 1.153 295 I CB 0.829 38.880 38.000 0.084 0.000 1.274 295 I HN 0.565 nan 8.210 nan 0.000 0.469 296 R N 3.433 123.964 120.500 0.052 0.000 2.570 296 R HA 0.098 4.438 4.340 -0.000 0.000 0.277 296 R C 0.641 176.972 176.300 0.051 0.000 1.039 296 R CA -0.204 55.926 56.100 0.050 0.000 1.065 296 R CB 0.883 31.207 30.300 0.041 0.000 0.964 296 R HN 0.404 nan 8.270 nan 0.000 0.428 297 L N 2.167 123.423 121.223 0.055 0.000 2.249 297 L HA 0.044 4.384 4.340 -0.000 0.000 0.207 297 L C 0.343 177.245 176.870 0.054 0.000 1.090 297 L CA 1.239 56.110 54.840 0.051 0.000 0.802 297 L CB -0.338 41.750 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 4.561 4.340 -0.000 0.000 0.270 298 Q C 0.307 176.342 176.000 0.059 0.000 1.024 298 Q CA -0.258 55.594 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 3.239 121.849 118.600 0.016 0.000 2.449 299 c HA 0.015 4.585 4.570 -0.000 0.000 0.283 299 c C 1.294 175.329 174.090 -0.093 0.000 1.453 299 c CA 0.907 57.223 56.329 -0.023 0.000 1.779 299 c CB -1.268 41.226 42.510 -0.027 0.000 1.779 299 c HN 0.885 nan 8.230 nan 0.000 0.546 300 N N -1.162 117.441 118.700 -0.162 0.000 2.392 300 N HA 0.151 4.891 4.740 -0.000 0.000 0.177 300 N C -0.271 174.755 175.510 -0.808 0.000 1.066 300 N CA 0.441 53.206 53.050 -0.474 0.000 0.895 300 N CB 0.273 38.407 38.487 -0.589 0.000 0.988 300 N HN 0.393 nan 8.380 nan 0.000 0.457 301 F N 0.008 119.961 119.950 0.005 0.000 2.576 301 F HA 0.405 4.932 4.527 -0.000 0.000 0.313 301 F C 0.042 175.846 175.800 0.008 0.000 1.078 301 F CA -1.269 56.734 58.000 0.005 0.000 0.921 301 F CB 1.016 40.019 39.000 0.005 0.000 1.232 301 F HN -0.366 nan 8.300 nan 0.000 0.459 302 V N 1.439 121.472 119.914 0.199 0.000 2.924 302 V HA 0.036 4.156 4.120 -0.000 0.000 0.305 302 V C 0.153 176.313 176.094 0.110 0.000 1.073 302 V CA -0.867 61.502 62.300 0.114 0.000 1.098 302 V CB 0.372 32.245 31.823 0.083 0.000 1.000 302 V HN 0.601 nan 8.190 nan 0.000 0.484 303 N N 3.636 122.381 118.700 0.075 0.000 2.394 303 N HA 0.289 5.029 4.740 -0.000 0.000 0.282 303 N C 0.544 176.081 175.510 0.045 0.000 1.351 303 N CA 1.426 54.511 53.050 0.059 0.000 0.936 303 N CB -0.011 38.504 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 3.960 3.960 -0.000 0.000 0.244 304 G HA3 0.000 3.960 3.960 -0.000 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