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 2ps7_1_A DATA FIRST_RESID 1 DATA SEQUENCE MENFPTEYFL NTTVRLLEYI RYRDSNYTRE ERIENLHYAY NKAAHHFAQP DATA SEQUENCE RQQQLLKVDP KRLQASLQTI VGMVVYSWAK VSKECMADLS IHYTYTLVLD DATA SEQUENCE DSKDDPYPTM VNYFDDLQAG REQAHPWWAL VNEHFPNVLR HFGPFCSLNL DATA SEQUENCE IRSTLDFFEG CWIEQYNFGG FPGSHDYPQF LRRMNGLGHC VGASLWPKEQ DATA SEQUENCE FNERSLFLEI TSAIAQMENW MVWVNDLMSF YKEFDDERDQ ISLVKNYVVS DATA SEQUENCE DEISLHEALE KLTQDTLHSS KQMVAVFSDK DPQVMDTIEC FMHGFVTWHL DATA SEQUENCE CDRRYRLSEI YEKVKEEKTE DAQKFCKFYE QAANVGAVSP SEWAYPPVAQ DATA SEQUENCE LANV 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.470 176.300 0.284 0.000 1.140 1 M CA 0.000 55.416 55.300 0.193 0.000 0.988 1 M CB 0.000 32.743 32.600 0.238 0.000 1.302 2 E N 1.793 122.109 120.200 0.195 0.000 2.485 2 E HA 0.206 4.556 4.350 0.001 0.000 0.194 2 E C -0.795 175.981 176.600 0.295 0.000 1.098 2 E CA 0.651 57.178 56.400 0.213 0.000 0.878 2 E CB 0.290 30.056 29.700 0.110 0.000 0.939 2 E HN 0.641 nan 8.360 nan 0.000 0.503 3 N N 0.614 119.484 118.700 0.283 0.000 2.346 3 N HA 0.107 4.847 4.740 0.001 0.000 0.289 3 N C -1.303 174.205 175.510 -0.003 0.000 1.027 3 N CA -0.648 52.497 53.050 0.158 0.000 0.864 3 N CB 0.822 39.364 38.487 0.092 0.000 1.370 3 N HN 0.049 nan 8.380 nan 0.000 0.481 4 F N 3.751 123.438 119.950 -0.437 0.000 2.578 4 F HA 0.207 4.735 4.527 0.001 0.000 0.381 4 F C -1.543 174.096 175.800 -0.268 0.000 1.069 4 F CA -1.436 56.076 58.000 -0.814 0.000 1.231 4 F CB 0.622 39.194 39.000 -0.713 0.000 1.086 4 F HN 0.346 nan 8.300 nan 0.000 0.564 5 P HA 0.014 nan 4.420 nan 0.000 0.238 5 P C 0.642 177.743 177.300 -0.333 0.000 1.679 5 P CA 0.488 63.375 63.100 -0.355 0.000 1.080 5 P CB -0.225 31.391 31.700 -0.141 0.000 1.961 6 T N -0.231 114.262 114.554 -0.102 0.000 2.684 6 T HA -0.195 4.155 4.350 0.001 0.000 0.267 6 T C 1.504 176.255 174.700 0.086 0.000 1.036 6 T CA 1.443 63.607 62.100 0.108 0.000 1.148 6 T CB -0.260 68.694 68.868 0.143 0.000 0.863 6 T HN 0.439 nan 8.240 nan 0.000 0.436 7 E N 0.024 120.261 120.200 0.062 0.000 2.051 7 E HA -0.131 4.220 4.350 0.001 0.000 0.192 7 E C 1.952 178.622 176.600 0.116 0.000 0.991 7 E CA 1.089 57.528 56.400 0.065 0.000 0.799 7 E CB -0.310 29.419 29.700 0.048 0.000 0.748 7 E HN 0.644 nan 8.360 nan 0.000 0.449 8 Y N 0.184 120.465 120.300 -0.032 0.000 2.145 8 Y HA -0.302 4.249 4.550 0.001 0.000 0.286 8 Y C 2.259 178.130 175.900 -0.049 0.000 1.145 8 Y CA 0.838 58.917 58.100 -0.034 0.000 1.148 8 Y CB -0.076 38.379 38.460 -0.008 0.000 0.981 8 Y HN 0.036 nan 8.280 nan 0.000 0.507 9 F N 0.935 120.761 119.950 -0.206 0.000 2.161 9 F HA -0.261 4.267 4.527 0.001 0.000 0.300 9 F C 1.850 177.523 175.800 -0.211 0.000 1.089 9 F CA 1.471 59.297 58.000 -0.289 0.000 1.282 9 F CB -0.609 38.276 39.000 -0.191 0.000 1.010 9 F HN 0.011 nan 8.300 nan 0.000 0.485 10 L N -0.062 121.029 121.223 -0.220 0.000 2.027 10 L HA -0.244 4.096 4.340 0.001 0.000 0.206 10 L C 2.332 179.074 176.870 -0.213 0.000 1.074 10 L CA 1.732 56.374 54.840 -0.331 0.000 0.745 10 L CB -0.947 41.019 42.059 -0.154 0.000 0.898 10 L HN 0.234 nan 8.230 nan 0.000 0.433 11 N N 0.039 118.694 118.700 -0.075 0.000 2.025 11 N HA -0.214 4.526 4.740 0.001 0.000 0.194 11 N C 1.835 177.306 175.510 -0.065 0.000 1.044 11 N CA 2.563 55.610 53.050 -0.005 0.000 0.851 11 N CB -0.298 38.242 38.487 0.089 0.000 1.036 11 N HN 0.376 nan 8.380 nan 0.000 0.422 12 T N -3.196 111.275 114.554 -0.138 0.000 2.684 12 T HA -0.141 4.209 4.350 0.001 0.000 0.267 12 T C 1.966 176.495 174.700 -0.286 0.000 1.036 12 T CA 2.064 64.032 62.100 -0.220 0.000 1.148 12 T CB -1.345 67.312 68.868 -0.350 0.000 0.863 12 T HN 0.165 nan 8.240 nan 0.000 0.436 13 T N 1.889 116.176 114.554 -0.446 0.000 2.684 13 T HA -0.069 4.281 4.350 0.001 0.000 0.267 13 T C 2.177 176.734 174.700 -0.237 0.000 1.036 13 T CA 1.381 63.218 62.100 -0.440 0.000 1.148 13 T CB -0.722 67.736 68.868 -0.683 0.000 0.863 13 T HN 0.268 nan 8.240 nan 0.000 0.436 14 V N 1.583 121.429 119.914 -0.113 0.000 2.295 14 V HA -0.204 3.916 4.120 0.001 0.000 0.246 14 V C 2.614 178.749 176.094 0.069 0.000 1.049 14 V CA 1.698 64.034 62.300 0.060 0.000 1.024 14 V CB -0.606 31.334 31.823 0.194 0.000 0.648 14 V HN 0.404 nan 8.190 nan 0.000 0.447 15 R N -0.436 120.102 120.500 0.063 0.000 2.105 15 R HA -0.174 4.167 4.340 0.001 0.000 0.239 15 R C 2.248 178.659 176.300 0.184 0.000 1.135 15 R CA 1.633 57.834 56.100 0.169 0.000 0.967 15 R CB -0.640 29.728 30.300 0.114 0.000 0.861 15 R HN 0.422 nan 8.270 nan 0.000 0.442 16 L N 1.252 122.460 121.223 -0.025 0.000 1.989 16 L HA -0.167 4.174 4.340 0.001 0.000 0.211 16 L C 1.976 178.889 176.870 0.073 0.000 1.071 16 L CA 1.743 56.565 54.840 -0.031 0.000 0.749 16 L CB -0.492 41.485 42.059 -0.137 0.000 0.890 16 L HN 0.125 nan 8.230 nan 0.000 0.431 17 L N -0.653 120.503 121.223 -0.110 0.000 2.079 17 L HA -0.224 4.116 4.340 0.001 0.000 0.210 17 L C 2.552 179.440 176.870 0.031 0.000 1.081 17 L CA 1.579 56.276 54.840 -0.237 0.000 0.752 17 L CB -0.635 40.807 42.059 -1.027 0.000 0.896 17 L HN 0.408 nan 8.230 nan 0.000 0.433 18 E N -0.833 119.460 120.200 0.156 0.000 2.028 18 E HA -0.223 4.128 4.350 0.001 0.000 0.191 18 E C 2.152 178.900 176.600 0.248 0.000 0.988 18 E CA 1.268 57.825 56.400 0.263 0.000 0.799 18 E CB -0.195 29.659 29.700 0.257 0.000 0.755 18 E HN 0.361 nan 8.360 nan 0.000 0.447 19 Y N 0.972 121.346 120.300 0.123 0.000 2.181 19 Y HA -0.216 4.334 4.550 0.001 0.000 0.284 19 Y C 2.245 178.242 175.900 0.161 0.000 1.179 19 Y CA 1.647 59.828 58.100 0.134 0.000 1.179 19 Y CB -0.313 38.228 38.460 0.137 0.000 0.973 19 Y HN 0.194 nan 8.280 nan 0.000 0.519 20 I N -2.637 118.150 120.570 0.361 0.000 3.728 20 I HA 0.180 4.351 4.170 0.001 0.000 0.307 20 I C 0.309 176.640 176.117 0.356 0.000 1.276 20 I CA 0.209 61.702 61.300 0.322 0.000 1.285 20 I CB -0.080 38.149 38.000 0.381 0.000 1.038 20 I HN 0.004 nan 8.210 nan 0.000 0.445 21 R N -0.105 120.573 120.500 0.296 0.000 3.407 21 R HA -0.247 4.093 4.340 0.001 0.000 0.277 21 R C -0.510 175.895 176.300 0.175 0.000 1.119 21 R CA 0.300 56.552 56.100 0.253 0.000 0.750 21 R CB -3.027 27.414 30.300 0.236 0.000 1.258 21 R HN 0.546 nan 8.270 nan 0.000 0.432 22 Y N 2.851 123.147 120.300 -0.007 0.000 2.852 22 Y HA -0.120 4.430 4.550 0.001 0.000 0.343 22 Y C 1.069 176.857 175.900 -0.187 0.000 1.280 22 Y CA 1.047 58.967 58.100 -0.300 0.000 1.604 22 Y CB 0.148 38.475 38.460 -0.221 0.000 1.216 22 Y HN 0.330 nan 8.280 nan 0.000 0.541 23 R N 2.425 122.355 120.500 -0.950 0.000 3.132 23 R HA 0.562 4.903 4.340 0.001 0.000 0.257 23 R C -1.292 174.707 176.300 -0.502 0.000 1.203 23 R CA -1.080 54.709 56.100 -0.518 0.000 1.008 23 R CB 0.602 30.784 30.300 -0.196 0.000 1.378 23 R HN 0.372 nan 8.270 nan 0.000 0.448 24 D N 0.891 121.150 120.400 -0.235 0.000 2.344 24 D HA 0.377 5.018 4.640 0.001 0.000 0.244 24 D C -0.539 175.724 176.300 -0.062 0.000 1.134 24 D CA -0.025 53.889 54.000 -0.143 0.000 0.930 24 D CB 1.233 41.984 40.800 -0.082 0.000 1.175 24 D HN 0.620 nan 8.370 nan 0.000 0.437 25 S N -0.122 115.566 115.700 -0.021 0.000 2.632 25 S HA 0.385 4.855 4.470 0.001 0.000 0.289 25 S C 0.049 174.678 174.600 0.048 0.000 1.115 25 S CA -1.025 57.196 58.200 0.035 0.000 0.889 25 S CB 1.229 64.475 63.200 0.077 0.000 1.116 25 S HN 0.306 nan 8.310 nan 0.000 0.486 26 N N 0.230 118.963 118.700 0.056 0.000 2.434 26 N HA 0.023 4.763 4.740 0.001 0.000 0.196 26 N C -0.946 174.639 175.510 0.125 0.000 1.183 26 N CA 0.268 53.354 53.050 0.060 0.000 0.849 26 N CB -0.308 38.202 38.487 0.037 0.000 0.992 26 N HN 0.627 nan 8.380 nan 0.000 0.460 27 Y N 2.911 123.189 120.300 -0.037 0.000 2.600 27 Y HA 0.078 4.628 4.550 0.001 0.000 0.351 27 Y C 0.740 176.602 175.900 -0.063 0.000 1.042 27 Y CA -1.320 56.750 58.100 -0.048 0.000 1.333 27 Y CB -0.503 37.919 38.460 -0.064 0.000 1.172 27 Y HN -0.078 nan 8.280 nan 0.000 0.517 28 T N 1.752 116.302 114.554 -0.006 0.000 2.882 28 T HA 0.310 4.660 4.350 0.001 0.000 0.287 28 T C 1.422 176.005 174.700 -0.195 0.000 1.014 28 T CA -0.647 61.401 62.100 -0.086 0.000 1.049 28 T CB 1.247 70.096 68.868 -0.033 0.000 1.001 28 T HN 0.721 nan 8.240 nan 0.000 0.525 29 R N 0.580 120.992 120.500 -0.147 0.000 2.096 29 R HA -0.146 4.195 4.340 0.001 0.000 0.240 29 R C 2.366 178.597 176.300 -0.115 0.000 1.139 29 R CA 2.102 58.115 56.100 -0.145 0.000 0.952 29 R CB -0.378 29.878 30.300 -0.074 0.000 0.854 29 R HN 0.748 nan 8.270 nan 0.000 0.436 30 E N 0.423 120.583 120.200 -0.067 0.000 2.085 30 E HA -0.197 4.154 4.350 0.001 0.000 0.194 30 E C 1.809 178.384 176.600 -0.042 0.000 0.994 30 E CA 1.453 57.835 56.400 -0.030 0.000 0.801 30 E CB -0.065 29.630 29.700 -0.008 0.000 0.743 30 E HN 0.438 nan 8.360 nan 0.000 0.453 31 E N 0.256 120.408 120.200 -0.080 0.000 2.047 31 E HA -0.112 4.238 4.350 0.001 0.000 0.191 31 E C 2.208 178.705 176.600 -0.172 0.000 0.987 31 E CA 0.651 57.010 56.400 -0.069 0.000 0.799 31 E CB -0.106 29.591 29.700 -0.005 0.000 0.752 31 E HN 0.138 nan 8.360 nan 0.000 0.449 32 R N 0.582 120.838 120.500 -0.406 0.000 2.096 32 R HA -0.154 4.186 4.340 0.001 0.000 0.240 32 R C 2.441 178.643 176.300 -0.163 0.000 1.139 32 R CA 1.366 57.206 56.100 -0.433 0.000 0.952 32 R CB -0.391 29.615 30.300 -0.489 0.000 0.854 32 R HN 0.208 nan 8.270 nan 0.000 0.436 33 I N 0.745 121.258 120.570 -0.095 0.000 2.286 33 I HA -0.262 3.908 4.170 0.001 0.000 0.248 33 I C 2.106 178.283 176.117 0.100 0.000 1.115 33 I CA 1.391 62.697 61.300 0.010 0.000 1.392 33 I CB -0.274 37.766 38.000 0.068 0.000 1.065 33 I HN 0.269 nan 8.210 nan 0.000 0.418 34 E N 0.751 121.001 120.200 0.084 0.000 2.051 34 E HA -0.209 4.142 4.350 0.001 0.000 0.192 34 E C 1.887 178.602 176.600 0.192 0.000 0.991 34 E CA 1.238 57.725 56.400 0.145 0.000 0.799 34 E CB -0.163 29.592 29.700 0.091 0.000 0.748 34 E HN 0.508 nan 8.360 nan 0.000 0.449 35 N N 0.932 119.708 118.700 0.128 0.000 2.106 35 N HA -0.104 4.637 4.740 0.001 0.000 0.188 35 N C 2.080 177.683 175.510 0.154 0.000 1.029 35 N CA 0.727 53.873 53.050 0.159 0.000 0.848 35 N CB -0.379 38.204 38.487 0.160 0.000 1.007 35 N HN 0.113 nan 8.380 nan 0.000 0.423 36 L N 0.325 121.560 121.223 0.020 0.000 1.990 36 L HA -0.251 4.089 4.340 0.001 0.000 0.213 36 L C 2.484 179.476 176.870 0.204 0.000 1.072 36 L CA 1.621 56.359 54.840 -0.170 0.000 0.755 36 L CB -0.559 41.046 42.059 -0.757 0.000 0.889 36 L HN 0.274 nan 8.230 nan 0.000 0.432 37 H N -1.448 117.773 119.070 0.251 0.000 2.353 37 H HA -0.260 4.296 4.556 0.001 0.000 0.300 37 H C 2.060 177.547 175.328 0.265 0.000 1.090 37 H CA 1.953 58.189 56.048 0.314 0.000 1.327 37 H CB -0.218 29.674 29.762 0.216 0.000 1.383 37 H HN 0.332 nan 8.280 nan 0.000 0.508 38 Y N 0.398 120.740 120.300 0.070 0.000 2.114 38 Y HA -0.190 4.361 4.550 0.001 0.000 0.284 38 Y C 2.640 178.528 175.900 -0.020 0.000 1.143 38 Y CA 1.994 60.086 58.100 -0.013 0.000 1.135 38 Y CB -0.877 37.612 38.460 0.049 0.000 0.980 38 Y HN 0.319 nan 8.280 nan 0.000 0.499 39 A N -0.556 122.341 122.820 0.130 0.000 1.877 39 A HA -0.259 4.061 4.320 0.001 0.000 0.216 39 A C 2.175 179.757 177.584 -0.004 0.000 1.186 39 A CA 1.757 53.822 52.037 0.047 0.000 0.620 39 A CB -1.704 17.361 19.000 0.109 0.000 0.822 39 A HN 0.722 nan 8.150 nan 0.000 0.443 40 Y N 1.260 121.578 120.300 0.030 0.000 2.128 40 Y HA -0.306 4.244 4.550 0.001 0.000 0.284 40 Y C 2.274 178.130 175.900 -0.073 0.000 1.154 40 Y CA 2.363 60.508 58.100 0.075 0.000 1.149 40 Y CB -0.529 38.101 38.460 0.284 0.000 0.976 40 Y HN 0.462 nan 8.280 nan 0.000 0.505 41 N N 0.355 118.926 118.700 -0.214 0.000 2.104 41 N HA -0.242 4.498 4.740 0.001 0.000 0.190 41 N C 1.967 177.360 175.510 -0.194 0.000 1.024 41 N CA 1.937 54.822 53.050 -0.275 0.000 0.853 41 N CB -0.374 37.849 38.487 -0.440 0.000 1.008 41 N HN 0.429 nan 8.380 nan 0.000 0.424 42 K N -0.453 119.748 120.400 -0.332 0.000 2.057 42 K HA -0.016 4.304 4.320 0.001 0.000 0.206 42 K C 1.865 178.371 176.600 -0.157 0.000 1.050 42 K CA 1.135 57.258 56.287 -0.273 0.000 0.935 42 K CB -0.241 32.041 32.500 -0.364 0.000 0.715 42 K HN 0.259 nan 8.250 nan 0.000 0.439 43 A N 1.070 123.778 122.820 -0.187 0.000 1.898 43 A HA -0.075 4.245 4.320 0.001 0.000 0.216 43 A C 2.297 179.842 177.584 -0.065 0.000 1.181 43 A CA 1.755 53.716 52.037 -0.127 0.000 0.620 43 A CB -0.700 18.269 19.000 -0.051 0.000 0.819 43 A HN 0.462 nan 8.150 nan 0.000 0.442 44 A N -0.816 121.830 122.820 -0.289 0.000 1.902 44 A HA -0.165 4.156 4.320 0.001 0.000 0.217 44 A C 1.948 179.424 177.584 -0.180 0.000 1.181 44 A CA 1.941 53.780 52.037 -0.331 0.000 0.623 44 A CB -0.854 17.718 19.000 -0.715 0.000 0.818 44 A HN 0.655 nan 8.150 nan 0.000 0.443 45 H N -1.969 117.001 119.070 -0.166 0.000 2.423 45 H HA -0.098 4.458 4.556 0.001 0.000 0.297 45 H C 2.019 177.283 175.328 -0.106 0.000 1.075 45 H CA 1.552 57.534 56.048 -0.109 0.000 1.342 45 H CB -0.196 29.505 29.762 -0.103 0.000 1.395 45 H HN 0.718 nan 8.280 nan 0.000 0.530 46 H N -0.226 118.765 119.070 -0.131 0.000 2.326 46 H HA -0.125 4.431 4.556 0.001 0.000 0.301 46 H C 1.215 176.328 175.328 -0.357 0.000 1.081 46 H CA 1.417 57.289 56.048 -0.294 0.000 1.334 46 H CB -0.211 29.248 29.762 -0.505 0.000 1.385 46 H HN 0.313 nan 8.280 nan 0.000 0.504 47 F N 0.673 120.519 119.950 -0.174 0.000 2.604 47 F HA 0.097 4.625 4.527 0.001 0.000 0.298 47 F C 2.646 178.334 175.800 -0.186 0.000 1.131 47 F CA 0.758 58.626 58.000 -0.219 0.000 1.457 47 F CB -0.226 38.669 39.000 -0.175 0.000 1.095 47 F HN 0.231 nan 8.300 nan 0.000 0.574 48 A N -0.782 122.020 122.820 -0.030 0.000 2.208 48 A HA 0.025 4.345 4.320 0.001 0.000 0.209 48 A C 1.061 178.601 177.584 -0.073 0.000 1.161 48 A CA -0.132 51.871 52.037 -0.057 0.000 0.782 48 A CB -0.544 18.392 19.000 -0.107 0.000 0.816 48 A HN 0.296 nan 8.150 nan 0.000 0.477 49 Q N 0.551 120.280 119.800 -0.119 0.000 2.364 49 Q HA 0.093 4.433 4.340 0.001 0.000 0.267 49 Q C -1.431 174.522 176.000 -0.078 0.000 0.999 49 Q CA -1.475 54.263 55.803 -0.108 0.000 0.886 49 Q CB 0.593 29.230 28.738 -0.169 0.000 1.243 49 Q HN 0.237 nan 8.270 nan 0.000 0.415 50 P HA -0.275 nan 4.420 nan 0.000 0.216 50 P C 0.964 178.249 177.300 -0.026 0.000 1.153 50 P CA 1.497 64.579 63.100 -0.030 0.000 0.858 50 P CB 0.135 31.822 31.700 -0.021 0.000 0.789 51 R N -0.084 120.394 120.500 -0.037 0.000 2.081 51 R HA -0.157 4.184 4.340 0.001 0.000 0.235 51 R C 2.551 178.842 176.300 -0.015 0.000 1.131 51 R CA 1.565 57.651 56.100 -0.024 0.000 0.960 51 R CB -0.398 29.884 30.300 -0.030 0.000 0.856 51 R HN 0.110 nan 8.270 nan 0.000 0.436 52 Q N 0.204 119.971 119.800 -0.054 0.000 2.079 52 Q HA -0.165 4.175 4.340 0.001 0.000 0.200 52 Q C 2.094 178.125 176.000 0.052 0.000 0.974 52 Q CA 1.189 56.985 55.803 -0.013 0.000 0.840 52 Q CB -0.262 28.386 28.738 -0.149 0.000 0.898 52 Q HN 0.457 nan 8.270 nan 0.000 0.430 53 Q N 0.676 120.487 119.800 0.019 0.000 2.181 53 Q HA -0.140 4.201 4.340 0.001 0.000 0.205 53 Q C 1.997 178.015 176.000 0.030 0.000 0.980 53 Q CA 1.232 57.051 55.803 0.026 0.000 0.862 53 Q CB 0.004 28.744 28.738 0.003 0.000 0.905 53 Q HN 0.539 nan 8.270 nan 0.000 0.429 54 Q N -0.324 119.492 119.800 0.026 0.000 2.033 54 Q HA 0.014 4.354 4.340 0.001 0.000 0.196 54 Q C 2.229 178.255 176.000 0.044 0.000 0.970 54 Q CA 0.726 56.546 55.803 0.027 0.000 0.828 54 Q CB 0.140 28.889 28.738 0.018 0.000 0.895 54 Q HN 0.324 nan 8.270 nan 0.000 0.440 55 L N 0.282 121.541 121.223 0.059 0.000 2.240 55 L HA 0.018 4.358 4.340 0.001 0.000 0.211 55 L C 0.816 177.759 176.870 0.120 0.000 1.106 55 L CA 0.024 54.913 54.840 0.081 0.000 0.793 55 L CB -0.183 41.928 42.059 0.086 0.000 0.927 55 L HN 0.189 nan 8.230 nan 0.000 0.446 56 L N 2.092 123.398 121.223 0.140 0.000 2.312 56 L HA 0.184 4.525 4.340 0.001 0.000 0.287 56 L C 0.052 176.993 176.870 0.117 0.000 1.091 56 L CA 0.096 55.045 54.840 0.182 0.000 0.846 56 L CB -0.011 42.190 42.059 0.237 0.000 1.219 56 L HN -0.118 nan 8.230 nan 0.000 0.439 57 K N 4.862 125.326 120.400 0.108 0.000 2.250 57 K HA 0.496 4.816 4.320 0.001 0.000 0.285 57 K C -1.130 175.498 176.600 0.047 0.000 1.097 57 K CA -0.095 56.228 56.287 0.060 0.000 0.913 57 K CB 0.823 33.349 32.500 0.043 0.000 1.179 57 K HN 0.381 nan 8.250 nan 0.000 0.462 58 V N 1.124 121.051 119.914 0.023 0.000 2.969 58 V HA 0.073 4.194 4.120 0.001 0.000 0.304 58 V C -0.497 175.588 176.094 -0.016 0.000 1.192 58 V CA -1.439 60.861 62.300 -0.000 0.000 0.962 58 V CB 2.424 34.235 31.823 -0.019 0.000 1.045 58 V HN 0.607 nan 8.190 nan 0.000 0.428 59 D N 4.258 124.645 120.400 -0.022 0.000 2.458 59 D HA 0.227 4.868 4.640 0.001 0.000 0.243 59 D C -1.559 174.720 176.300 -0.035 0.000 1.146 59 D CA -0.867 53.118 54.000 -0.026 0.000 0.877 59 D CB 1.804 42.589 40.800 -0.027 0.000 1.176 59 D HN 0.233 nan 8.370 nan 0.000 0.461 60 P HA -0.195 nan 4.420 nan 0.000 0.215 60 P C 0.767 178.042 177.300 -0.042 0.000 1.157 60 P CA 1.768 64.846 63.100 -0.037 0.000 0.874 60 P CB 0.152 31.836 31.700 -0.027 0.000 0.790 61 K N -0.621 119.757 120.400 -0.035 0.000 2.057 61 K HA -0.101 4.219 4.320 0.001 0.000 0.207 61 K C 2.261 178.836 176.600 -0.041 0.000 1.049 61 K CA 1.272 57.537 56.287 -0.036 0.000 0.931 61 K CB -0.278 32.203 32.500 -0.032 0.000 0.714 61 K HN 0.064 nan 8.250 nan 0.000 0.440 62 R N 0.465 120.939 120.500 -0.043 0.000 2.115 62 R HA -0.080 4.261 4.340 0.001 0.000 0.230 62 R C 2.293 178.555 176.300 -0.063 0.000 1.111 62 R CA 0.724 56.796 56.100 -0.046 0.000 0.976 62 R CB -0.265 30.011 30.300 -0.041 0.000 0.870 62 R HN 0.105 nan 8.270 nan 0.000 0.445 63 L N 1.078 122.251 121.223 -0.084 0.000 2.056 63 L HA -0.153 4.187 4.340 0.001 0.000 0.207 63 L C 2.318 179.111 176.870 -0.129 0.000 1.078 63 L CA 1.801 56.553 54.840 -0.146 0.000 0.749 63 L CB -0.528 41.426 42.059 -0.174 0.000 0.901 63 L HN 0.012 nan 8.230 nan 0.000 0.433 64 Q N 0.039 119.796 119.800 -0.073 0.000 2.061 64 Q HA -0.157 4.183 4.340 0.001 0.000 0.204 64 Q C 2.135 178.130 176.000 -0.007 0.000 0.984 64 Q CA 2.416 58.204 55.803 -0.025 0.000 0.846 64 Q CB -0.522 28.206 28.738 -0.017 0.000 0.902 64 Q HN 0.602 nan 8.270 nan 0.000 0.421 65 A N -0.913 121.894 122.820 -0.023 0.000 1.968 65 A HA -0.073 4.248 4.320 0.001 0.000 0.217 65 A C 2.287 179.880 177.584 0.014 0.000 1.169 65 A CA 1.489 53.521 52.037 -0.007 0.000 0.638 65 A CB -0.525 18.461 19.000 -0.023 0.000 0.812 65 A HN 0.395 nan 8.150 nan 0.000 0.446 66 S N -0.491 115.199 115.700 -0.016 0.000 2.368 66 S HA -0.101 4.369 4.470 0.001 0.000 0.224 66 S C 1.851 176.457 174.600 0.010 0.000 1.029 66 S CA 1.319 59.514 58.200 -0.008 0.000 0.988 66 S CB -0.351 62.816 63.200 -0.055 0.000 0.838 66 S HN 0.492 nan 8.310 nan 0.000 0.462 67 L N 1.978 123.186 121.223 -0.025 0.000 1.994 67 L HA -0.092 4.248 4.340 0.001 0.000 0.208 67 L C 2.245 179.230 176.870 0.193 0.000 1.071 67 L CA 1.832 56.688 54.840 0.026 0.000 0.745 67 L CB -0.912 41.142 42.059 -0.010 0.000 0.892 67 L HN 0.252 nan 8.230 nan 0.000 0.431 68 Q N -1.303 118.635 119.800 0.230 0.000 2.152 68 Q HA -0.215 4.125 4.340 0.001 0.000 0.206 68 Q C 1.969 178.188 176.000 0.365 0.000 0.985 68 Q CA 2.288 58.303 55.803 0.354 0.000 0.863 68 Q CB -0.247 28.571 28.738 0.134 0.000 0.904 68 Q HN 0.548 nan 8.270 nan 0.000 0.422 69 T N 0.568 115.269 114.554 0.245 0.000 2.951 69 T HA -0.041 4.310 4.350 0.001 0.000 0.268 69 T C 1.604 176.456 174.700 0.254 0.000 1.073 69 T CA 0.583 62.869 62.100 0.310 0.000 1.134 69 T CB 0.104 69.131 68.868 0.264 0.000 0.884 69 T HN 0.153 nan 8.240 nan 0.000 0.479 70 I N 0.695 121.340 120.570 0.126 0.000 2.480 70 I HA 0.006 4.176 4.170 0.001 0.000 0.251 70 I C 2.428 178.506 176.117 -0.065 0.000 1.124 70 I CA 0.712 62.009 61.300 -0.006 0.000 1.444 70 I CB -1.115 36.907 38.000 0.036 0.000 1.098 70 I HN 0.107 nan 8.210 nan 0.000 0.428 71 V N 1.389 121.332 119.914 0.048 0.000 2.343 71 V HA -0.181 3.939 4.120 0.001 0.000 0.247 71 V C 2.685 178.683 176.094 -0.160 0.000 1.051 71 V CA 2.068 64.379 62.300 0.019 0.000 1.036 71 V CB -1.343 30.615 31.823 0.226 0.000 0.654 71 V HN 0.483 nan 8.190 nan 0.000 0.451 72 G N -0.892 107.787 108.800 -0.201 0.000 2.421 72 G HA2 -0.342 3.618 3.960 0.001 0.000 0.216 72 G HA3 -0.342 3.618 3.960 0.001 0.000 0.216 72 G C 1.651 176.181 174.900 -0.617 0.000 1.171 72 G CA 1.199 46.021 45.100 -0.463 0.000 0.775 72 G HN 0.442 nan 8.290 nan 0.000 0.543 73 M N 0.262 119.339 119.600 -0.872 0.000 2.086 73 M HA -0.075 4.406 4.480 0.001 0.000 0.261 73 M C 2.479 178.574 176.300 -0.341 0.000 1.067 73 M CA 1.495 55.999 55.300 -1.327 0.000 1.116 73 M CB -0.112 31.460 32.600 -1.713 0.000 1.348 73 M HN 0.106 nan 8.290 nan 0.000 0.407 74 V N -0.238 119.548 119.914 -0.214 0.000 2.379 74 V HA -0.197 3.924 4.120 0.001 0.000 0.245 74 V C 2.337 178.544 176.094 0.189 0.000 1.044 74 V CA 1.399 63.669 62.300 -0.050 0.000 1.036 74 V CB -0.350 31.305 31.823 -0.280 0.000 0.664 74 V HN 0.395 nan 8.190 nan 0.000 0.453 75 V N -1.093 118.895 119.914 0.124 0.000 2.427 75 V HA -0.234 3.887 4.120 0.001 0.000 0.248 75 V C 2.263 178.668 176.094 0.517 0.000 1.051 75 V CA 1.872 64.335 62.300 0.273 0.000 1.048 75 V CB -0.728 31.203 31.823 0.180 0.000 0.666 75 V HN 0.501 nan 8.190 nan 0.000 0.456 76 Y N 0.582 120.994 120.300 0.186 0.000 2.263 76 Y HA -0.064 4.487 4.550 0.001 0.000 0.292 76 Y C 2.755 178.786 175.900 0.218 0.000 1.130 76 Y CA 1.114 59.366 58.100 0.254 0.000 1.179 76 Y CB -0.669 37.907 38.460 0.195 0.000 0.998 76 Y HN 0.238 nan 8.280 nan 0.000 0.532 77 S N -2.598 113.324 115.700 0.370 0.000 2.470 77 S HA -0.028 4.442 4.470 0.001 0.000 0.222 77 S C 0.824 175.528 174.600 0.173 0.000 1.024 77 S CA -0.038 58.242 58.200 0.134 0.000 0.931 77 S CB -0.044 63.068 63.200 -0.147 0.000 0.791 77 S HN 0.432 nan 8.310 nan 0.000 0.513 78 W N 2.119 123.481 121.300 0.103 0.000 2.564 78 W HA 0.477 5.138 4.660 0.001 0.000 0.414 78 W C 1.390 177.887 176.519 -0.036 0.000 0.700 78 W CA -0.656 56.716 57.345 0.046 0.000 2.430 78 W CB -0.307 29.185 29.460 0.053 0.000 1.529 78 W HN 0.315 nan 8.180 nan 0.000 0.795 79 A N 0.638 123.473 122.820 0.024 0.000 2.032 79 A HA -0.217 4.104 4.320 0.001 0.000 0.221 79 A C 2.038 179.484 177.584 -0.229 0.000 1.165 79 A CA 1.427 53.285 52.037 -0.299 0.000 0.645 79 A CB -0.033 18.588 19.000 -0.631 0.000 0.807 79 A HN 0.050 nan 8.150 nan 0.000 0.453 80 K N -0.260 120.085 120.400 -0.092 0.000 2.393 80 K HA 0.134 4.455 4.320 0.001 0.000 0.193 80 K C 0.775 177.391 176.600 0.027 0.000 1.026 80 K CA 0.610 56.874 56.287 -0.038 0.000 1.064 80 K CB -0.556 31.949 32.500 0.008 0.000 0.833 80 K HN 0.544 nan 8.250 nan 0.000 0.521 81 V N -0.560 119.392 119.914 0.064 0.000 3.134 81 V HA 0.370 4.491 4.120 0.001 0.000 0.313 81 V C 0.717 176.811 176.094 -0.000 0.000 1.069 81 V CA -1.085 61.248 62.300 0.054 0.000 1.048 81 V CB 1.346 33.227 31.823 0.097 0.000 1.119 81 V HN 0.213 nan 8.190 nan 0.000 0.461 82 S N 1.328 116.998 115.700 -0.050 0.000 2.596 82 S HA 0.242 4.712 4.470 0.001 0.000 0.260 82 S C 0.805 175.362 174.600 -0.070 0.000 1.336 82 S CA 0.100 58.259 58.200 -0.069 0.000 0.993 82 S CB 0.393 63.545 63.200 -0.080 0.000 0.923 82 S HN 0.804 nan 8.310 nan 0.000 0.567 83 K N 0.438 120.773 120.400 -0.108 0.000 2.057 83 K HA -0.091 4.229 4.320 0.001 0.000 0.207 83 K C 2.212 178.865 176.600 0.089 0.000 1.049 83 K CA 1.411 57.625 56.287 -0.121 0.000 0.931 83 K CB -0.179 31.948 32.500 -0.621 0.000 0.714 83 K HN 0.593 nan 8.250 nan 0.000 0.440 84 E N 0.505 120.746 120.200 0.067 0.000 2.077 84 E HA -0.219 4.132 4.350 0.001 0.000 0.193 84 E C 2.169 178.761 176.600 -0.013 0.000 0.989 84 E CA 0.877 57.383 56.400 0.177 0.000 0.800 84 E CB -0.504 29.310 29.700 0.190 0.000 0.746 84 E HN 0.307 nan 8.360 nan 0.000 0.452 85 C N 0.656 119.767 119.300 -0.316 0.000 2.425 85 C HA -0.086 4.374 4.460 0.001 0.000 0.277 85 C C 2.774 177.630 174.990 -0.223 0.000 1.280 85 C CA 0.650 59.306 59.018 -0.605 0.000 1.744 85 C CB -0.940 26.421 27.740 -0.632 0.000 1.989 85 C HN 0.390 nan 8.230 nan 0.000 0.491 86 M N 0.834 120.378 119.600 -0.093 0.000 2.117 86 M HA -0.093 4.387 4.480 0.001 0.000 0.262 86 M C 2.526 178.812 176.300 -0.024 0.000 1.065 86 M CA 2.033 57.304 55.300 -0.047 0.000 1.114 86 M CB -0.572 32.060 32.600 0.053 0.000 1.361 86 M HN 0.527 nan 8.290 nan 0.000 0.408 87 A N 0.432 123.281 122.820 0.048 0.000 1.898 87 A HA -0.161 4.160 4.320 0.001 0.000 0.216 87 A C 1.723 179.304 177.584 -0.006 0.000 1.181 87 A CA 1.806 53.858 52.037 0.024 0.000 0.620 87 A CB -0.586 18.432 19.000 0.029 0.000 0.819 87 A HN 0.390 nan 8.150 nan 0.000 0.442 88 D N 0.100 120.520 120.400 0.034 0.000 2.149 88 D HA -0.061 4.579 4.640 0.001 0.000 0.201 88 D C 1.941 178.270 176.300 0.048 0.000 0.972 88 D CA 0.835 54.889 54.000 0.090 0.000 0.835 88 D CB -0.305 40.616 40.800 0.200 0.000 0.966 88 D HN 0.431 nan 8.370 nan 0.000 0.476 89 L N 0.587 121.781 121.223 -0.049 0.000 2.141 89 L HA -0.099 4.242 4.340 0.001 0.000 0.209 89 L C 2.453 179.263 176.870 -0.101 0.000 1.094 89 L CA 0.600 55.342 54.840 -0.163 0.000 0.763 89 L CB -0.245 41.645 42.059 -0.281 0.000 0.908 89 L HN -0.070 nan 8.230 nan 0.000 0.437 90 S N 0.203 115.869 115.700 -0.057 0.000 2.368 90 S HA -0.138 4.333 4.470 0.001 0.000 0.225 90 S C 1.946 176.548 174.600 0.003 0.000 1.030 90 S CA 1.237 59.431 58.200 -0.009 0.000 0.999 90 S CB -0.174 63.023 63.200 -0.005 0.000 0.844 90 S HN 0.289 nan 8.310 nan 0.000 0.459 91 I N 0.308 120.841 120.570 -0.061 0.000 2.202 91 I HA -0.200 3.970 4.170 0.001 0.000 0.242 91 I C 2.416 178.459 176.117 -0.123 0.000 1.091 91 I CA 1.566 62.755 61.300 -0.186 0.000 1.368 91 I CB -0.446 37.177 38.000 -0.628 0.000 1.058 91 I HN 0.320 nan 8.210 nan 0.000 0.410 92 H N 0.385 119.363 119.070 -0.153 0.000 2.319 92 H HA -0.232 4.324 4.556 0.001 0.000 0.299 92 H C 1.909 177.129 175.328 -0.181 0.000 1.092 92 H CA 2.136 58.080 56.048 -0.174 0.000 1.302 92 H CB -0.141 29.373 29.762 -0.413 0.000 1.373 92 H HN 0.248 nan 8.280 nan 0.000 0.497 93 Y N -0.631 119.688 120.300 0.032 0.000 2.509 93 Y HA -0.073 4.478 4.550 0.001 0.000 0.293 93 Y C 2.621 178.491 175.900 -0.051 0.000 1.133 93 Y CA 1.242 59.313 58.100 -0.049 0.000 1.283 93 Y CB -0.437 37.973 38.460 -0.083 0.000 1.001 93 Y HN 0.247 nan 8.280 nan 0.000 0.555 94 T N -1.294 113.300 114.554 0.067 0.000 2.896 94 T HA -0.134 4.217 4.350 0.001 0.000 0.263 94 T C 1.422 176.124 174.700 0.003 0.000 1.050 94 T CA 1.041 63.126 62.100 -0.026 0.000 1.140 94 T CB -0.416 68.364 68.868 -0.148 0.000 0.877 94 T HN 0.204 nan 8.240 nan 0.000 0.457 95 Y N 2.257 122.588 120.300 0.051 0.000 2.165 95 Y HA -0.185 4.366 4.550 0.001 0.000 0.286 95 Y C 3.086 179.199 175.900 0.356 0.000 1.155 95 Y CA 1.459 59.625 58.100 0.110 0.000 1.164 95 Y CB -1.204 37.112 38.460 -0.240 0.000 0.978 95 Y HN 0.350 nan 8.280 nan 0.000 0.513 96 T N -1.978 112.773 114.554 0.328 0.000 2.821 96 T HA -0.192 4.158 4.350 0.001 0.000 0.267 96 T C 1.937 176.775 174.700 0.231 0.000 1.046 96 T CA 1.259 63.502 62.100 0.238 0.000 1.139 96 T CB -0.837 67.789 68.868 -0.403 0.000 0.871 96 T HN 0.211 nan 8.240 nan 0.000 0.454 97 L N 1.249 122.563 121.223 0.151 0.000 2.093 97 L HA 0.149 4.489 4.340 0.001 0.000 0.208 97 L C 2.532 179.489 176.870 0.145 0.000 1.085 97 L CA 1.160 56.091 54.840 0.152 0.000 0.755 97 L CB -0.648 41.471 42.059 0.100 0.000 0.904 97 L HN 0.167 nan 8.230 nan 0.000 0.435 98 V N -0.570 119.434 119.914 0.150 0.000 2.515 98 V HA -0.220 3.900 4.120 0.001 0.000 0.250 98 V C 2.430 178.591 176.094 0.112 0.000 1.058 98 V CA 1.351 63.722 62.300 0.118 0.000 1.064 98 V CB -0.545 31.349 31.823 0.118 0.000 0.675 98 V HN 0.472 nan 8.190 nan 0.000 0.461 99 L N 0.411 121.700 121.223 0.110 0.000 2.191 99 L HA -0.179 4.162 4.340 0.001 0.000 0.212 99 L C 2.085 178.844 176.870 -0.185 0.000 1.103 99 L CA 1.972 56.674 54.840 -0.230 0.000 0.769 99 L CB -0.859 40.755 42.059 -0.741 0.000 0.908 99 L HN 0.351 nan 8.230 nan 0.000 0.438 100 D N -0.781 119.592 120.400 -0.045 0.000 2.309 100 D HA -0.189 4.451 4.640 0.001 0.000 0.212 100 D C 1.053 177.320 176.300 -0.054 0.000 0.968 100 D CA 0.910 54.879 54.000 -0.051 0.000 0.882 100 D CB 0.204 41.034 40.800 0.051 0.000 0.918 100 D HN 0.440 nan 8.370 nan 0.000 0.503 101 D N -0.352 120.027 120.400 -0.036 0.000 2.323 101 D HA -0.024 4.616 4.640 0.001 0.000 0.209 101 D C 0.628 176.900 176.300 -0.047 0.000 0.973 101 D CA 0.237 54.218 54.000 -0.032 0.000 0.874 101 D CB 0.086 40.878 40.800 -0.014 0.000 0.930 101 D HN -0.048 nan 8.370 nan 0.000 0.521 102 S N 0.018 115.676 115.700 -0.070 0.000 2.580 102 S HA 0.132 4.602 4.470 0.001 0.000 0.274 102 S C 0.880 175.424 174.600 -0.094 0.000 1.329 102 S CA -0.317 57.839 58.200 -0.074 0.000 1.036 102 S CB 1.199 64.352 63.200 -0.078 0.000 0.919 102 S HN 0.077 nan 8.310 nan 0.000 0.515 103 K N 2.174 122.526 120.400 -0.080 0.000 2.402 103 K HA 0.155 4.476 4.320 0.001 0.000 0.203 103 K C -0.745 175.799 176.600 -0.094 0.000 1.077 103 K CA -0.255 55.980 56.287 -0.086 0.000 1.051 103 K CB 0.151 32.609 32.500 -0.069 0.000 0.907 103 K HN 0.541 nan 8.250 nan 0.000 0.554 104 D N 2.606 122.954 120.400 -0.087 0.000 2.450 104 D HA -0.058 4.582 4.640 0.001 0.000 0.247 104 D C -0.450 175.779 176.300 -0.119 0.000 1.162 104 D CA 0.397 54.344 54.000 -0.089 0.000 0.879 104 D CB 1.065 41.815 40.800 -0.083 0.000 1.163 104 D HN 0.197 nan 8.370 nan 0.000 0.472 105 D N 2.642 122.977 120.400 -0.108 0.000 2.401 105 D HA 0.042 4.682 4.640 0.001 0.000 0.254 105 D C -1.740 174.450 176.300 -0.184 0.000 1.192 105 D CA -1.333 52.589 54.000 -0.130 0.000 0.885 105 D CB 1.099 41.874 40.800 -0.041 0.000 1.147 105 D HN 0.043 nan 8.370 nan 0.000 0.478 106 P HA -0.084 nan 4.420 nan 0.000 0.225 106 P C 0.902 177.951 177.300 -0.417 0.000 1.156 106 P CA 0.447 63.244 63.100 -0.505 0.000 0.787 106 P CB -0.060 30.944 31.700 -1.161 0.000 0.802 107 Y N 3.090 123.119 120.300 -0.452 0.000 1.997 107 Y HA -0.242 4.308 4.550 0.001 0.000 0.265 107 Y C -0.705 175.236 175.900 0.069 0.000 1.193 107 Y CA 2.760 60.864 58.100 0.008 0.000 1.106 107 Y CB -2.093 36.496 38.460 0.215 0.000 0.940 107 Y HN 0.076 nan 8.280 nan 0.000 0.494 108 P HA -0.159 nan 4.420 nan 0.000 0.219 108 P C 1.242 178.621 177.300 0.132 0.000 1.146 108 P CA 2.612 65.871 63.100 0.265 0.000 0.808 108 P CB -0.529 31.290 31.700 0.200 0.000 0.779 109 T N -5.602 109.018 114.554 0.110 0.000 3.129 109 T HA 0.157 4.508 4.350 0.001 0.000 0.251 109 T C 1.470 176.293 174.700 0.204 0.000 1.117 109 T CA 0.244 62.436 62.100 0.153 0.000 1.034 109 T CB -0.449 68.527 68.868 0.180 0.000 0.968 109 T HN -0.111 nan 8.240 nan 0.000 0.526 110 M N 0.565 120.250 119.600 0.142 0.000 2.333 110 M HA 0.344 4.825 4.480 0.001 0.000 0.257 110 M C 1.808 178.197 176.300 0.148 0.000 1.078 110 M CA -0.060 55.357 55.300 0.196 0.000 1.005 110 M CB 0.061 32.795 32.600 0.224 0.000 1.444 110 M HN 0.147 nan 8.290 nan 0.000 0.496 111 V N 1.879 121.825 119.914 0.055 0.000 2.392 111 V HA -0.237 3.883 4.120 0.001 0.000 0.249 111 V C 1.367 177.519 176.094 0.097 0.000 1.059 111 V CA 1.532 63.849 62.300 0.028 0.000 1.051 111 V CB -0.448 31.400 31.823 0.042 0.000 0.658 111 V HN 0.520 nan 8.190 nan 0.000 0.455 112 N N -1.789 116.983 118.700 0.120 0.000 2.282 112 N HA 0.091 4.832 4.740 0.001 0.000 0.240 112 N C 1.043 176.619 175.510 0.110 0.000 1.182 112 N CA -0.132 52.983 53.050 0.109 0.000 0.874 112 N CB 0.336 38.864 38.487 0.069 0.000 1.126 112 N HN 0.555 nan 8.380 nan 0.000 0.516 113 Y N 1.211 121.541 120.300 0.049 0.000 2.040 113 Y HA -0.311 4.240 4.550 0.001 0.000 0.275 113 Y C 2.057 177.941 175.900 -0.026 0.000 1.171 113 Y CA 1.813 59.908 58.100 -0.008 0.000 1.123 113 Y CB -0.537 37.926 38.460 0.005 0.000 0.963 113 Y HN 0.050 nan 8.280 nan 0.000 0.493 114 F N 1.232 121.122 119.950 -0.100 0.000 2.095 114 F HA -0.247 4.281 4.527 0.001 0.000 0.298 114 F C 2.234 177.920 175.800 -0.191 0.000 1.104 114 F CA 2.317 60.203 58.000 -0.190 0.000 1.232 114 F CB -0.548 38.448 39.000 -0.007 0.000 0.987 114 F HN 0.143 nan 8.300 nan 0.000 0.475 115 D N 0.118 120.537 120.400 0.032 0.000 2.144 115 D HA -0.179 4.461 4.640 0.001 0.000 0.199 115 D C 1.816 178.002 176.300 -0.190 0.000 0.984 115 D CA 1.526 55.500 54.000 -0.043 0.000 0.834 115 D CB -0.500 40.333 40.800 0.056 0.000 0.955 115 D HN 0.368 nan 8.370 nan 0.000 0.465 116 D N 0.466 120.746 120.400 -0.200 0.000 2.117 116 D HA -0.104 4.537 4.640 0.001 0.000 0.198 116 D C 2.233 178.340 176.300 -0.321 0.000 0.982 116 D CA 0.220 54.095 54.000 -0.208 0.000 0.828 116 D CB -0.342 40.364 40.800 -0.157 0.000 0.967 116 D HN 0.118 nan 8.370 nan 0.000 0.464 117 L N 0.945 121.857 121.223 -0.517 0.000 2.012 117 L HA -0.231 4.110 4.340 0.001 0.000 0.210 117 L C 2.291 178.857 176.870 -0.507 0.000 1.073 117 L CA 1.808 56.291 54.840 -0.595 0.000 0.748 117 L CB -0.608 40.914 42.059 -0.894 0.000 0.891 117 L HN -0.094 nan 8.230 nan 0.000 0.431 118 Q N -0.540 118.884 119.800 -0.626 0.000 2.167 118 Q HA -0.074 4.266 4.340 0.001 0.000 0.202 118 Q C 1.909 177.750 176.000 -0.265 0.000 0.970 118 Q CA 1.794 57.304 55.803 -0.488 0.000 0.855 118 Q CB -0.276 28.122 28.738 -0.567 0.000 0.911 118 Q HN 0.584 nan 8.270 nan 0.000 0.438 119 A N -1.054 121.630 122.820 -0.226 0.000 2.178 119 A HA 0.405 4.725 4.320 0.001 0.000 0.211 119 A C 1.527 179.034 177.584 -0.128 0.000 1.157 119 A CA 0.703 52.656 52.037 -0.140 0.000 0.780 119 A CB -0.472 18.464 19.000 -0.106 0.000 0.828 119 A HN 0.685 nan 8.150 nan 0.000 0.476 120 G N -0.606 108.097 108.800 -0.162 0.000 2.137 120 G HA2 -0.246 3.715 3.960 0.001 0.000 0.237 120 G HA3 -0.246 3.715 3.960 0.001 0.000 0.237 120 G C 0.160 174.997 174.900 -0.104 0.000 1.002 120 G CA 0.230 45.252 45.100 -0.131 0.000 0.702 120 G HN 0.613 nan 8.290 nan 0.000 0.515 121 R N 0.372 120.806 120.500 -0.110 0.000 2.404 121 R HA 0.418 4.759 4.340 0.001 0.000 0.291 121 R C 0.585 176.841 176.300 -0.073 0.000 1.025 121 R CA -0.627 55.428 56.100 -0.076 0.000 0.991 121 R CB 1.072 31.334 30.300 -0.064 0.000 1.053 121 R HN 0.485 nan 8.270 nan 0.000 0.479 122 E N 2.349 122.525 120.200 -0.039 0.000 2.502 122 E HA -0.138 4.212 4.350 0.001 0.000 0.261 122 E C -0.361 176.238 176.600 -0.001 0.000 0.974 122 E CA 0.041 56.432 56.400 -0.015 0.000 0.936 122 E CB 0.688 30.392 29.700 0.008 0.000 0.926 122 E HN 0.210 nan 8.360 nan 0.000 0.459 123 Q N 2.141 121.955 119.800 0.024 0.000 2.364 123 Q HA 0.034 4.374 4.340 0.001 0.000 0.267 123 Q C 0.574 176.658 176.000 0.140 0.000 0.999 123 Q CA 0.571 56.420 55.803 0.076 0.000 0.886 123 Q CB 1.499 30.327 28.738 0.150 0.000 1.243 123 Q HN 0.729 nan 8.270 nan 0.000 0.415 124 A N 3.188 126.098 122.820 0.150 0.000 1.898 124 A HA -0.134 4.187 4.320 0.001 0.000 0.216 124 A C 0.887 178.584 177.584 0.190 0.000 1.181 124 A CA 0.880 53.001 52.037 0.141 0.000 0.620 124 A CB -0.332 18.740 19.000 0.120 0.000 0.819 124 A HN 0.730 nan 8.150 nan 0.000 0.442 125 H N 1.448 120.654 119.070 0.228 0.000 3.026 125 H HA 0.113 4.670 4.556 0.001 0.000 0.289 125 H C -1.571 173.919 175.328 0.270 0.000 1.022 125 H CA -1.613 54.598 56.048 0.272 0.000 1.477 125 H CB 1.156 31.165 29.762 0.412 0.000 1.510 125 H HN 0.165 nan 8.280 nan 0.000 0.535 126 P HA -0.181 nan 4.420 nan 0.000 0.219 126 P C 1.649 179.166 177.300 0.361 0.000 1.146 126 P CA 0.969 64.225 63.100 0.260 0.000 0.808 126 P CB -0.036 31.746 31.700 0.138 0.000 0.779 127 W N -0.054 121.492 121.300 0.410 0.000 2.355 127 W HA -0.091 4.570 4.660 0.001 0.000 0.309 127 W C 2.295 178.803 176.519 -0.019 0.000 1.206 127 W CA 1.334 58.757 57.345 0.129 0.000 1.284 127 W CB -1.160 28.304 29.460 0.008 0.000 1.145 127 W HN -0.114 nan 8.180 nan 0.000 0.502 128 W N -0.011 121.453 121.300 0.273 0.000 2.374 128 W HA -0.142 4.518 4.660 0.001 0.000 0.288 128 W C 2.576 179.051 176.519 -0.073 0.000 1.218 128 W CA 1.493 58.851 57.345 0.021 0.000 1.245 128 W CB -0.712 28.797 29.460 0.081 0.000 1.126 128 W HN -0.046 nan 8.180 nan 0.000 0.545 129 A N 0.163 123.127 122.820 0.239 0.000 1.877 129 A HA -0.191 4.129 4.320 0.001 0.000 0.216 129 A C 1.907 179.491 177.584 0.000 0.000 1.186 129 A CA 1.484 53.590 52.037 0.113 0.000 0.620 129 A CB -0.997 18.070 19.000 0.111 0.000 0.822 129 A HN 0.268 nan 8.150 nan 0.000 0.443 130 L N -0.735 120.428 121.223 -0.101 0.000 2.005 130 L HA -0.134 4.206 4.340 0.001 0.000 0.207 130 L C 2.571 179.165 176.870 -0.461 0.000 1.072 130 L CA 1.116 55.824 54.840 -0.220 0.000 0.744 130 L CB -0.701 41.219 42.059 -0.231 0.000 0.895 130 L HN 0.238 nan 8.230 nan 0.000 0.433 131 V N 0.357 119.765 119.914 -0.843 0.000 2.332 131 V HA -0.283 3.838 4.120 0.001 0.000 0.248 131 V C 2.189 178.125 176.094 -0.264 0.000 1.055 131 V CA 1.904 63.645 62.300 -0.932 0.000 1.038 131 V CB -0.660 30.331 31.823 -1.387 0.000 0.651 131 V HN 0.483 nan 8.190 nan 0.000 0.450 132 N N -0.283 118.426 118.700 0.014 0.000 2.270 132 N HA -0.135 4.605 4.740 0.001 0.000 0.181 132 N C 1.878 177.465 175.510 0.129 0.000 1.016 132 N CA 1.203 54.376 53.050 0.206 0.000 0.870 132 N CB -0.215 38.378 38.487 0.177 0.000 0.979 132 N HN 0.673 nan 8.380 nan 0.000 0.431 133 E N -0.128 120.106 120.200 0.056 0.000 2.106 133 E HA -0.207 4.144 4.350 0.001 0.000 0.192 133 E C 1.668 178.325 176.600 0.095 0.000 0.984 133 E CA 0.869 57.304 56.400 0.059 0.000 0.806 133 E CB -0.040 29.687 29.700 0.045 0.000 0.750 133 E HN 0.452 nan 8.360 nan 0.000 0.458 134 H N -0.886 118.189 119.070 0.007 0.000 2.525 134 H HA -0.050 4.507 4.556 0.001 0.000 0.275 134 H C 1.639 177.019 175.328 0.086 0.000 0.984 134 H CA 0.394 56.461 56.048 0.030 0.000 1.264 134 H CB -0.002 29.777 29.762 0.028 0.000 1.432 134 H HN 0.187 nan 8.280 nan 0.000 0.549 135 F N 2.069 121.976 119.950 -0.070 0.000 2.111 135 F HA -0.136 4.391 4.527 0.001 0.000 0.300 135 F C -0.772 174.916 175.800 -0.186 0.000 1.088 135 F CA 1.102 59.050 58.000 -0.086 0.000 1.243 135 F CB -1.423 37.577 39.000 0.000 0.000 0.996 135 F HN 0.299 nan 8.300 nan 0.000 0.483 136 P HA -0.189 nan 4.420 nan 0.000 0.217 136 P C 1.070 178.292 177.300 -0.130 0.000 1.148 136 P CA 1.959 65.024 63.100 -0.058 0.000 0.828 136 P CB -0.235 31.427 31.700 -0.064 0.000 0.783 137 N N -1.099 117.454 118.700 -0.245 0.000 2.309 137 N HA -0.083 4.657 4.740 0.001 0.000 0.182 137 N C 1.316 176.717 175.510 -0.181 0.000 1.018 137 N CA 0.602 53.484 53.050 -0.281 0.000 0.876 137 N CB -0.136 38.095 38.487 -0.427 0.000 0.972 137 N HN 0.028 nan 8.380 nan 0.000 0.434 138 V N 1.217 121.082 119.914 -0.080 0.000 2.426 138 V HA -0.064 4.056 4.120 0.001 0.000 0.242 138 V C 2.065 178.314 176.094 0.258 0.000 1.036 138 V CA 0.909 63.303 62.300 0.157 0.000 1.044 138 V CB -0.333 31.551 31.823 0.101 0.000 0.688 138 V HN 0.245 nan 8.190 nan 0.000 0.462 139 L N 1.084 122.398 121.223 0.150 0.000 2.265 139 L HA -0.138 4.202 4.340 0.001 0.000 0.215 139 L C 2.708 179.629 176.870 0.085 0.000 1.117 139 L CA 1.396 56.323 54.840 0.146 0.000 0.782 139 L CB -0.735 41.297 42.059 -0.044 0.000 0.914 139 L HN 0.468 nan 8.230 nan 0.000 0.441 140 R N -0.819 119.624 120.500 -0.096 0.000 2.237 140 R HA -0.133 4.207 4.340 0.001 0.000 0.219 140 R C 1.420 177.576 176.300 -0.240 0.000 1.080 140 R CA 1.063 57.048 56.100 -0.192 0.000 0.995 140 R CB -0.580 29.543 30.300 -0.295 0.000 0.875 140 R HN 0.456 nan 8.270 nan 0.000 0.462 141 H N -0.457 118.533 119.070 -0.134 0.000 2.539 141 H HA 0.201 4.758 4.556 0.001 0.000 0.267 141 H C -0.334 174.555 175.328 -0.732 0.000 0.982 141 H CA 0.352 56.130 56.048 -0.450 0.000 1.146 141 H CB 0.018 29.373 29.762 -0.679 0.000 1.382 141 H HN 0.116 nan 8.280 nan 0.000 0.577 142 F N -0.742 119.283 119.950 0.126 0.000 2.620 142 F HA 0.524 5.051 4.527 0.001 0.000 0.320 142 F C 1.094 176.945 175.800 0.085 0.000 1.069 142 F CA -1.186 56.886 58.000 0.119 0.000 0.953 142 F CB 1.013 40.076 39.000 0.104 0.000 1.322 142 F HN -0.119 nan 8.300 nan 0.000 0.479 143 G N 0.624 109.625 108.800 0.334 0.000 2.580 143 G HA2 0.372 4.332 3.960 0.001 0.000 0.278 143 G HA3 0.372 4.332 3.960 0.001 0.000 0.278 143 G C -1.841 173.179 174.900 0.199 0.000 1.212 143 G CA -1.240 43.996 45.100 0.227 0.000 0.939 143 G HN 0.407 nan 8.290 nan 0.000 0.513 144 P HA -0.218 nan 4.420 nan 0.000 0.216 144 P C 1.586 178.984 177.300 0.163 0.000 1.153 144 P CA 1.146 64.326 63.100 0.134 0.000 0.858 144 P CB 0.059 31.837 31.700 0.129 0.000 0.789 145 F N 0.662 120.667 119.950 0.093 0.000 2.084 145 F HA -0.140 4.388 4.527 0.001 0.000 0.296 145 F C 2.391 178.207 175.800 0.027 0.000 1.111 145 F CA 1.351 59.401 58.000 0.084 0.000 1.224 145 F CB -1.091 37.993 39.000 0.139 0.000 0.991 145 F HN -0.055 nan 8.300 nan 0.000 0.471 146 C N -0.170 119.143 119.300 0.022 0.000 2.425 146 C HA -0.143 4.318 4.460 0.001 0.000 0.277 146 C C 3.047 177.907 174.990 -0.217 0.000 1.280 146 C CA 1.503 60.439 59.018 -0.135 0.000 1.744 146 C CB -1.379 26.414 27.740 0.088 0.000 1.989 146 C HN 0.572 nan 8.230 nan 0.000 0.491 147 S N 0.820 116.465 115.700 -0.091 0.000 2.359 147 S HA -0.196 4.275 4.470 0.001 0.000 0.224 147 S C 1.712 176.199 174.600 -0.190 0.000 1.035 147 S CA 1.520 59.642 58.200 -0.130 0.000 1.018 147 S CB -0.524 62.645 63.200 -0.052 0.000 0.876 147 S HN 0.559 nan 8.310 nan 0.000 0.448 148 L N 2.761 123.883 121.223 -0.168 0.000 2.079 148 L HA -0.089 4.251 4.340 0.001 0.000 0.210 148 L C 1.765 178.536 176.870 -0.165 0.000 1.081 148 L CA 1.691 56.439 54.840 -0.153 0.000 0.752 148 L CB -0.782 41.208 42.059 -0.115 0.000 0.896 148 L HN 0.248 nan 8.230 nan 0.000 0.433 149 N N -0.728 117.811 118.700 -0.268 0.000 2.188 149 N HA -0.157 4.583 4.740 0.001 0.000 0.184 149 N C 1.783 177.264 175.510 -0.049 0.000 1.018 149 N CA 1.484 54.423 53.050 -0.184 0.000 0.858 149 N CB -0.102 38.199 38.487 -0.311 0.000 0.989 149 N HN 0.283 nan 8.380 nan 0.000 0.426 150 L N 1.421 122.587 121.223 -0.095 0.000 2.027 150 L HA -0.045 4.296 4.340 0.001 0.000 0.206 150 L C 2.240 179.224 176.870 0.190 0.000 1.074 150 L CA 1.013 55.862 54.840 0.016 0.000 0.745 150 L CB -0.491 41.517 42.059 -0.085 0.000 0.898 150 L HN 0.116 nan 8.230 nan 0.000 0.433 151 I N -1.099 119.486 120.570 0.025 0.000 2.226 151 I HA -0.320 3.851 4.170 0.001 0.000 0.245 151 I C 2.637 178.881 176.117 0.213 0.000 1.100 151 I CA 1.209 62.550 61.300 0.068 0.000 1.374 151 I CB -0.319 37.582 38.000 -0.166 0.000 1.057 151 I HN 0.222 nan 8.210 nan 0.000 0.413 152 R N -0.030 120.546 120.500 0.126 0.000 2.066 152 R HA -0.141 4.200 4.340 0.001 0.000 0.232 152 R C 2.546 178.958 176.300 0.185 0.000 1.131 152 R CA 1.667 57.851 56.100 0.140 0.000 0.955 152 R CB -0.560 29.790 30.300 0.082 0.000 0.851 152 R HN 0.231 nan 8.270 nan 0.000 0.432 153 S N -0.160 115.646 115.700 0.177 0.000 2.399 153 S HA -0.118 4.353 4.470 0.001 0.000 0.231 153 S C 1.683 176.474 174.600 0.317 0.000 1.022 153 S CA 1.636 59.946 58.200 0.184 0.000 0.983 153 S CB -0.111 63.195 63.200 0.177 0.000 0.803 153 S HN 0.322 nan 8.310 nan 0.000 0.480 154 T N 1.883 116.695 114.554 0.429 0.000 2.985 154 T HA 0.082 4.432 4.350 0.001 0.000 0.266 154 T C 1.547 176.644 174.700 0.661 0.000 1.076 154 T CA 0.832 63.270 62.100 0.564 0.000 1.135 154 T CB -0.207 69.067 68.868 0.678 0.000 0.890 154 T HN 0.253 nan 8.240 nan 0.000 0.480 155 L N 1.564 123.148 121.223 0.602 0.000 2.109 155 L HA 0.036 4.377 4.340 0.001 0.000 0.207 155 L C 1.676 178.812 176.870 0.443 0.000 1.086 155 L CA 1.702 56.907 54.840 0.610 0.000 0.760 155 L CB -0.601 41.689 42.059 0.385 0.000 0.910 155 L HN 0.025 nan 8.230 nan 0.000 0.437 156 D N -1.023 119.562 120.400 0.308 0.000 2.117 156 D HA -0.235 4.405 4.640 0.001 0.000 0.197 156 D C 1.997 178.410 176.300 0.189 0.000 0.987 156 D CA 1.291 55.401 54.000 0.183 0.000 0.829 156 D CB -0.303 40.549 40.800 0.086 0.000 0.961 156 D HN 0.354 nan 8.370 nan 0.000 0.460 157 F N 0.489 120.521 119.950 0.137 0.000 2.134 157 F HA -0.166 4.362 4.527 0.001 0.000 0.299 157 F C 2.055 177.861 175.800 0.009 0.000 1.097 157 F CA 0.889 58.930 58.000 0.069 0.000 1.264 157 F CB -0.469 38.597 39.000 0.110 0.000 1.001 157 F HN -0.104 nan 8.300 nan 0.000 0.479 158 F N 1.342 121.236 119.950 -0.094 0.000 2.095 158 F HA -0.223 4.305 4.527 0.001 0.000 0.298 158 F C 2.564 178.275 175.800 -0.148 0.000 1.104 158 F CA 2.270 60.092 58.000 -0.296 0.000 1.232 158 F CB -0.725 38.264 39.000 -0.019 0.000 0.987 158 F HN 0.185 nan 8.300 nan 0.000 0.475 159 E N -0.395 119.885 120.200 0.134 0.000 2.106 159 E HA -0.110 4.241 4.350 0.001 0.000 0.192 159 E C 2.468 179.008 176.600 -0.099 0.000 0.984 159 E CA 1.070 57.522 56.400 0.085 0.000 0.806 159 E CB -0.670 29.087 29.700 0.095 0.000 0.750 159 E HN 0.498 nan 8.360 nan 0.000 0.458 160 G N 0.466 109.140 108.800 -0.210 0.000 2.418 160 G HA2 -0.295 3.665 3.960 0.001 0.000 0.217 160 G HA3 -0.295 3.665 3.960 0.001 0.000 0.217 160 G C 1.683 176.398 174.900 -0.308 0.000 1.158 160 G CA 0.965 45.903 45.100 -0.271 0.000 0.771 160 G HN 0.412 nan 8.290 nan 0.000 0.545 161 C N -0.912 118.070 119.300 -0.530 0.000 2.435 161 C HA 0.009 4.470 4.460 0.001 0.000 0.279 161 C C 2.328 177.174 174.990 -0.241 0.000 1.321 161 C CA 0.154 58.873 59.018 -0.498 0.000 1.752 161 C CB -1.000 26.261 27.740 -0.799 0.000 1.959 161 C HN 0.665 nan 8.230 nan 0.000 0.500 162 W N 1.760 122.793 121.300 -0.444 0.000 2.354 162 W HA -0.076 4.585 4.660 0.001 0.000 0.315 162 W C 2.114 178.617 176.519 -0.028 0.000 1.206 162 W CA 1.225 58.420 57.345 -0.250 0.000 1.290 162 W CB -1.040 28.277 29.460 -0.239 0.000 1.152 162 W HN 0.286 nan 8.180 nan 0.000 0.489 163 I N 0.696 121.369 120.570 0.171 0.000 2.208 163 I HA -0.322 3.849 4.170 0.001 0.000 0.245 163 I C 2.186 178.440 176.117 0.229 0.000 1.097 163 I CA 1.760 63.125 61.300 0.108 0.000 1.363 163 I CB -0.629 37.390 38.000 0.033 0.000 1.051 163 I HN -0.007 nan 8.210 nan 0.000 0.413 164 E N 0.377 120.653 120.200 0.127 0.000 2.338 164 E HA -0.213 4.138 4.350 0.001 0.000 0.197 164 E C 2.025 178.706 176.600 0.135 0.000 1.007 164 E CA 0.534 57.003 56.400 0.115 0.000 0.849 164 E CB -0.075 29.627 29.700 0.003 0.000 0.774 164 E HN 0.592 nan 8.360 nan 0.000 0.506 165 Q N -0.309 119.587 119.800 0.159 0.000 2.291 165 Q HA -0.164 4.176 4.340 0.001 0.000 0.206 165 Q C 1.063 177.079 176.000 0.026 0.000 0.976 165 Q CA 1.010 56.849 55.803 0.060 0.000 0.875 165 Q CB -0.056 28.697 28.738 0.023 0.000 0.927 165 Q HN 0.445 nan 8.270 nan 0.000 0.450 166 Y N 0.365 120.705 120.300 0.067 0.000 2.546 166 Y HA 0.030 4.581 4.550 0.001 0.000 0.287 166 Y C 0.617 176.571 175.900 0.091 0.000 1.158 166 Y CA 0.041 58.176 58.100 0.058 0.000 1.307 166 Y CB -0.212 38.261 38.460 0.022 0.000 1.036 166 Y HN 0.173 nan 8.280 nan 0.000 0.532 167 N N 0.030 118.861 118.700 0.218 0.000 2.727 167 N HA -0.272 4.469 4.740 0.001 0.000 0.249 167 N C -0.851 174.798 175.510 0.231 0.000 1.048 167 N CA -0.125 53.023 53.050 0.163 0.000 0.714 167 N CB -1.087 37.453 38.487 0.088 0.000 0.959 167 N HN 0.171 nan 8.380 nan 0.000 0.544 168 F N 0.051 120.051 119.950 0.083 0.000 2.385 168 F HA 0.505 5.032 4.527 0.001 0.000 0.360 168 F C 1.370 177.185 175.800 0.025 0.000 1.122 168 F CA -0.464 57.529 58.000 -0.011 0.000 1.090 168 F CB 1.018 39.962 39.000 -0.093 0.000 1.150 168 F HN -0.011 nan 8.300 nan 0.000 0.472 169 G N 2.994 111.530 108.800 -0.440 0.000 2.880 169 G HA2 0.405 4.366 3.960 0.001 0.000 0.209 169 G HA3 0.405 4.366 3.960 0.001 0.000 0.209 169 G C 0.511 175.013 174.900 -0.662 0.000 1.157 169 G CA 0.325 45.233 45.100 -0.321 0.000 0.779 169 G HN 1.373 nan 8.290 nan 0.000 0.539 170 G N -1.082 106.545 108.800 -1.954 0.000 2.576 170 G HA2 0.059 4.020 3.960 0.001 0.000 0.686 170 G HA3 0.059 4.020 3.960 0.001 0.000 0.686 170 G C -0.675 173.632 174.900 -0.988 0.000 1.242 170 G CA -1.139 42.831 45.100 -1.882 0.000 0.819 170 G HN 0.181 nan 8.290 nan 0.000 0.655 171 F N 1.335 121.069 119.950 -0.360 0.000 2.443 171 F HA 0.452 4.979 4.527 0.001 0.000 0.353 171 F C -1.324 174.450 175.800 -0.045 0.000 1.101 171 F CA -1.831 56.138 58.000 -0.052 0.000 1.226 171 F CB 0.820 39.859 39.000 0.065 0.000 1.140 171 F HN 0.158 nan 8.300 nan 0.000 0.557 172 P HA 0.152 nan 4.420 nan 0.000 0.260 172 P C 0.645 178.021 177.300 0.126 0.000 1.185 172 P CA 1.215 64.395 63.100 0.133 0.000 0.763 172 P CB 0.327 32.091 31.700 0.106 0.000 0.776 173 G N 2.478 111.365 108.800 0.146 0.000 2.201 173 G HA2 -0.236 3.725 3.960 0.001 0.000 0.212 173 G HA3 -0.236 3.725 3.960 0.001 0.000 0.212 173 G C 0.626 175.461 174.900 -0.108 0.000 0.994 173 G CA 0.056 45.158 45.100 0.003 0.000 0.644 173 G HN 0.615 nan 8.290 nan 0.000 0.508 174 S N 1.231 116.996 115.700 0.107 0.000 4.087 174 S HA 0.412 4.883 4.470 0.001 0.000 0.213 174 S C 1.727 176.490 174.600 0.273 0.000 1.415 174 S CA -0.049 58.233 58.200 0.138 0.000 0.893 174 S CB -0.351 62.955 63.200 0.177 0.000 1.529 174 S HN 0.378 nan 8.310 nan 0.000 0.457 175 H N 1.764 120.914 119.070 0.133 0.000 2.457 175 H HA -0.056 4.501 4.556 0.001 0.000 0.297 175 H C 1.483 176.919 175.328 0.180 0.000 1.092 175 H CA 1.321 57.456 56.048 0.143 0.000 1.309 175 H CB -0.023 29.797 29.762 0.097 0.000 1.382 175 H HN 0.582 nan 8.280 nan 0.000 0.535 176 D N -0.516 120.054 120.400 0.283 0.000 2.317 176 D HA -0.123 4.518 4.640 0.001 0.000 0.211 176 D C 1.908 178.370 176.300 0.271 0.000 0.966 176 D CA 0.264 54.404 54.000 0.234 0.000 0.876 176 D CB -0.244 40.642 40.800 0.142 0.000 0.927 176 D HN 0.362 nan 8.370 nan 0.000 0.519 177 Y N 2.158 122.559 120.300 0.170 0.000 2.070 177 Y HA -0.156 4.394 4.550 0.001 0.000 0.280 177 Y C -0.854 175.209 175.900 0.272 0.000 1.148 177 Y CA 1.771 59.998 58.100 0.211 0.000 1.125 177 Y CB -1.288 37.232 38.460 0.101 0.000 0.975 177 Y HN -0.012 nan 8.280 nan 0.000 0.492 178 P HA -0.259 nan 4.420 nan 0.000 0.216 178 P C 1.279 178.535 177.300 -0.073 0.000 1.167 178 P CA 2.864 65.945 63.100 -0.033 0.000 0.914 178 P CB -0.157 31.601 31.700 0.096 0.000 0.793 179 Q N -2.216 117.648 119.800 0.107 0.000 2.172 179 Q HA -0.131 4.209 4.340 0.001 0.000 0.200 179 Q C 2.096 178.133 176.000 0.062 0.000 0.964 179 Q CA 0.926 56.806 55.803 0.129 0.000 0.855 179 Q CB -0.652 28.245 28.738 0.265 0.000 0.918 179 Q HN 0.277 nan 8.270 nan 0.000 0.444 180 F N 1.474 121.389 119.950 -0.057 0.000 2.126 180 F HA -0.245 4.283 4.527 0.001 0.000 0.299 180 F C 1.834 177.542 175.800 -0.154 0.000 1.096 180 F CA 1.115 59.068 58.000 -0.078 0.000 1.255 180 F CB -0.241 38.722 39.000 -0.061 0.000 0.997 180 F HN 0.053 nan 8.300 nan 0.000 0.479 181 L N 0.900 121.793 121.223 -0.550 0.000 2.072 181 L HA -0.014 4.327 4.340 0.001 0.000 0.205 181 L C 2.534 179.185 176.870 -0.365 0.000 1.079 181 L CA 1.678 56.133 54.840 -0.642 0.000 0.752 181 L CB -1.013 40.682 42.059 -0.606 0.000 0.906 181 L HN 0.119 nan 8.230 nan 0.000 0.436 182 R N 0.054 120.418 120.500 -0.227 0.000 2.127 182 R HA -0.095 4.245 4.340 0.001 0.000 0.238 182 R C 2.335 178.572 176.300 -0.105 0.000 1.134 182 R CA 1.588 57.620 56.100 -0.114 0.000 0.975 182 R CB -0.360 29.912 30.300 -0.047 0.000 0.865 182 R HN 0.376 nan 8.270 nan 0.000 0.447 183 R N -1.087 119.326 120.500 -0.145 0.000 2.119 183 R HA -0.025 4.315 4.340 0.001 0.000 0.222 183 R C 2.062 178.270 176.300 -0.152 0.000 1.088 183 R CA 1.336 57.358 56.100 -0.130 0.000 0.984 183 R CB -0.274 29.959 30.300 -0.111 0.000 0.884 183 R HN 0.194 nan 8.270 nan 0.000 0.447 184 M N 1.962 121.408 119.600 -0.258 0.000 2.132 184 M HA -0.131 4.350 4.480 0.001 0.000 0.263 184 M C 1.102 177.358 176.300 -0.073 0.000 1.065 184 M CA 1.773 56.929 55.300 -0.240 0.000 1.122 184 M CB -0.013 32.311 32.600 -0.459 0.000 1.365 184 M HN 0.062 nan 8.290 nan 0.000 0.411 185 N N -1.195 117.478 118.700 -0.045 0.000 2.230 185 N HA 0.197 4.937 4.740 0.001 0.000 0.202 185 N C 1.320 177.006 175.510 0.292 0.000 1.119 185 N CA 0.674 53.809 53.050 0.141 0.000 0.851 185 N CB -0.983 37.514 38.487 0.015 0.000 0.990 185 N HN 0.310 nan 8.380 nan 0.000 0.497 186 G N 0.096 108.985 108.800 0.147 0.000 2.494 186 G HA2 0.047 4.007 3.960 0.001 0.000 0.216 186 G HA3 0.047 4.007 3.960 0.001 0.000 0.216 186 G C 0.641 175.619 174.900 0.129 0.000 1.140 186 G CA 0.232 45.407 45.100 0.125 0.000 0.801 186 G HN 0.326 nan 8.290 nan 0.000 0.536 187 L N -0.734 120.576 121.223 0.144 0.000 4.232 187 L HA -0.236 4.104 4.340 0.001 0.000 0.415 187 L C 2.215 179.161 176.870 0.128 0.000 1.168 187 L CA 0.014 54.941 54.840 0.145 0.000 0.966 187 L CB -1.593 40.535 42.059 0.114 0.000 2.052 187 L HN 0.301 nan 8.230 nan 0.000 0.887 188 G N -0.645 108.211 108.800 0.094 0.000 2.491 188 G HA2 -0.272 3.689 3.960 0.001 0.000 0.218 188 G HA3 -0.272 3.689 3.960 0.001 0.000 0.218 188 G C 1.058 176.061 174.900 0.172 0.000 1.180 188 G CA 1.377 46.537 45.100 0.100 0.000 0.774 188 G HN 0.733 nan 8.290 nan 0.000 0.562 189 H N -1.366 117.698 119.070 -0.010 0.000 2.495 189 H HA -0.020 4.536 4.556 0.001 0.000 0.287 189 H C 2.568 177.883 175.328 -0.022 0.000 1.033 189 H CA 0.443 56.472 56.048 -0.032 0.000 1.307 189 H CB 0.098 29.842 29.762 -0.030 0.000 1.401 189 H HN 0.440 nan 8.280 nan 0.000 0.555 190 C N 0.398 119.806 119.300 0.180 0.000 2.489 190 C HA -0.088 4.373 4.460 0.001 0.000 0.279 190 C C 2.765 177.869 174.990 0.191 0.000 1.266 190 C CA 0.435 59.560 59.018 0.179 0.000 1.707 190 C CB -0.965 26.954 27.740 0.300 0.000 2.059 190 C HN 0.282 nan 8.230 nan 0.000 0.481 191 V N 1.512 121.544 119.914 0.197 0.000 2.220 191 V HA -0.069 4.051 4.120 0.001 0.000 0.246 191 V C 2.819 178.817 176.094 -0.160 0.000 1.049 191 V CA 2.494 64.873 62.300 0.132 0.000 1.003 191 V CB -1.701 30.069 31.823 -0.089 0.000 0.634 191 V HN 0.683 nan 8.190 nan 0.000 0.444 192 G N -0.380 108.278 108.800 -0.236 0.000 2.556 192 G HA2 -0.314 3.647 3.960 0.001 0.000 0.220 192 G HA3 -0.314 3.647 3.960 0.001 0.000 0.220 192 G C 1.664 176.480 174.900 -0.141 0.000 1.156 192 G CA 1.420 46.357 45.100 -0.272 0.000 0.766 192 G HN 0.685 nan 8.290 nan 0.000 0.583 193 A N 0.700 123.470 122.820 -0.084 0.000 2.016 193 A HA 0.165 4.486 4.320 0.001 0.000 0.217 193 A C 2.586 180.058 177.584 -0.188 0.000 1.162 193 A CA 1.914 53.931 52.037 -0.034 0.000 0.662 193 A CB -0.409 18.496 19.000 -0.158 0.000 0.812 193 A HN 0.774 nan 8.150 nan 0.000 0.450 194 S N -0.262 115.307 115.700 -0.217 0.000 2.555 194 S HA 0.086 4.557 4.470 0.001 0.000 0.230 194 S C 1.421 176.172 174.600 0.251 0.000 0.978 194 S CA 0.653 58.742 58.200 -0.184 0.000 0.934 194 S CB -0.533 62.764 63.200 0.162 0.000 0.766 194 S HN 0.444 nan 8.310 nan 0.000 0.533 195 L N -0.759 120.265 121.223 -0.331 0.000 2.552 195 L HA 0.200 4.540 4.340 0.001 0.000 0.227 195 L C 0.242 176.475 176.870 -1.061 0.000 1.146 195 L CA 0.198 54.511 54.840 -0.878 0.000 0.858 195 L CB -0.242 40.819 42.059 -1.663 0.000 0.969 195 L HN 0.464 nan 8.230 nan 0.000 0.451 196 W N 0.113 121.438 121.300 0.042 0.000 1.967 196 W HA 0.350 5.011 4.660 0.001 0.000 0.296 196 W C -2.337 174.372 176.519 0.317 0.000 0.817 196 W CA -2.293 54.987 57.345 -0.108 0.000 1.981 196 W CB -0.383 28.919 29.460 -0.262 0.000 2.207 196 W HN -0.223 nan 8.180 nan 0.000 0.374 197 P HA -0.075 nan 4.420 nan 0.000 0.265 197 P C 1.074 178.505 177.300 0.219 0.000 1.193 197 P CA 0.261 63.360 63.100 -0.001 0.000 0.765 197 P CB 0.869 32.522 31.700 -0.079 0.000 0.823 198 K N 3.371 123.836 120.400 0.109 0.000 2.360 198 K HA -0.211 4.110 4.320 0.001 0.000 0.201 198 K C 1.524 178.191 176.600 0.111 0.000 1.046 198 K CA 1.365 57.749 56.287 0.163 0.000 0.945 198 K CB -0.252 32.320 32.500 0.121 0.000 0.750 198 K HN 0.389 nan 8.250 nan 0.000 0.464 199 E N 1.296 121.534 120.200 0.063 0.000 2.150 199 E HA -0.157 4.193 4.350 0.001 0.000 0.193 199 E C 1.410 178.019 176.600 0.014 0.000 0.985 199 E CA 1.112 57.530 56.400 0.030 0.000 0.814 199 E CB 0.268 29.974 29.700 0.010 0.000 0.752 199 E HN 0.607 nan 8.360 nan 0.000 0.466 200 Q N -1.108 118.715 119.800 0.039 0.000 2.149 200 Q HA 0.172 4.512 4.340 0.001 0.000 0.221 200 Q C -0.602 175.169 176.000 -0.381 0.000 0.807 200 Q CA -0.111 55.597 55.803 -0.159 0.000 1.000 200 Q CB 0.562 29.157 28.738 -0.239 0.000 1.157 200 Q HN 0.046 nan 8.270 nan 0.000 0.487 201 F N 1.201 121.218 119.950 0.113 0.000 2.591 201 F HA 0.381 4.909 4.527 0.001 0.000 0.309 201 F C -0.149 175.713 175.800 0.103 0.000 1.098 201 F CA -1.082 56.999 58.000 0.134 0.000 0.937 201 F CB 1.761 40.911 39.000 0.250 0.000 1.250 201 F HN -0.127 nan 8.300 nan 0.000 0.447 202 N N 2.680 121.528 118.700 0.246 0.000 2.527 202 N HA 0.070 4.810 4.740 0.001 0.000 0.236 202 N C 0.759 176.359 175.510 0.150 0.000 0.999 202 N CA 0.173 53.319 53.050 0.159 0.000 0.935 202 N CB 1.093 39.636 38.487 0.092 0.000 1.132 202 N HN 0.922 nan 8.380 nan 0.000 0.511 203 E N 3.375 123.676 120.200 0.168 0.000 2.086 203 E HA -0.232 4.119 4.350 0.001 0.000 0.200 203 E C 1.184 177.867 176.600 0.138 0.000 1.012 203 E CA 1.604 58.093 56.400 0.149 0.000 0.812 203 E CB 0.316 30.146 29.700 0.216 0.000 0.743 203 E HN 0.591 nan 8.360 nan 0.000 0.453 204 R N -0.296 120.280 120.500 0.127 0.000 2.092 204 R HA -0.013 4.327 4.340 0.001 0.000 0.231 204 R C 2.535 178.873 176.300 0.063 0.000 1.119 204 R CA 1.361 57.516 56.100 0.091 0.000 0.970 204 R CB -0.126 30.197 30.300 0.039 0.000 0.864 204 R HN 0.037 nan 8.270 nan 0.000 0.440 205 S N 0.989 116.722 115.700 0.055 0.000 2.436 205 S HA 0.074 4.544 4.470 0.001 0.000 0.228 205 S C 1.513 176.133 174.600 0.033 0.000 1.014 205 S CA 0.747 58.968 58.200 0.035 0.000 0.950 205 S CB 0.156 63.377 63.200 0.034 0.000 0.784 205 S HN 0.197 nan 8.310 nan 0.000 0.504 206 L N 0.158 121.399 121.223 0.029 0.000 2.910 206 L HA 0.352 4.692 4.340 0.001 0.000 0.252 206 L C 1.246 178.062 176.870 -0.091 0.000 1.195 206 L CA -0.166 54.652 54.840 -0.036 0.000 1.003 206 L CB -0.223 41.796 42.059 -0.068 0.000 1.328 206 L HN 0.137 nan 8.230 nan 0.000 0.540 207 F N 1.376 121.221 119.950 -0.174 0.000 2.063 207 F HA -0.351 4.177 4.527 0.001 0.000 0.298 207 F C 2.022 177.684 175.800 -0.229 0.000 1.105 207 F CA 2.131 59.979 58.000 -0.254 0.000 1.215 207 F CB 0.013 38.842 39.000 -0.285 0.000 0.972 207 F HN 0.025 nan 8.300 nan 0.000 0.483 208 L N -0.120 121.144 121.223 0.068 0.000 2.083 208 L HA -0.185 4.155 4.340 0.001 0.000 0.209 208 L C 2.459 179.279 176.870 -0.083 0.000 1.083 208 L CA 1.370 56.214 54.840 0.008 0.000 0.752 208 L CB -0.908 41.173 42.059 0.036 0.000 0.899 208 L HN 0.245 nan 8.230 nan 0.000 0.433 209 E N 0.510 120.645 120.200 -0.109 0.000 2.158 209 E HA -0.123 4.228 4.350 0.001 0.000 0.191 209 E C 2.216 178.673 176.600 -0.238 0.000 0.982 209 E CA 1.009 57.363 56.400 -0.077 0.000 0.823 209 E CB -0.252 29.404 29.700 -0.074 0.000 0.766 209 E HN 0.533 nan 8.360 nan 0.000 0.468 210 I N 1.685 121.968 120.570 -0.477 0.000 2.163 210 I HA -0.204 3.966 4.170 0.001 0.000 0.240 210 I C 2.346 178.253 176.117 -0.350 0.000 1.081 210 I CA 1.515 62.398 61.300 -0.695 0.000 1.353 210 I CB -0.596 36.958 38.000 -0.743 0.000 1.054 210 I HN 0.053 nan 8.210 nan 0.000 0.407 211 T N 0.393 114.747 114.554 -0.333 0.000 2.699 211 T HA -0.178 4.173 4.350 0.001 0.000 0.268 211 T C 2.085 176.728 174.700 -0.095 0.000 1.036 211 T CA 1.936 63.914 62.100 -0.204 0.000 1.147 211 T CB -0.204 68.494 68.868 -0.283 0.000 0.862 211 T HN 0.287 nan 8.240 nan 0.000 0.446 212 S N 1.152 116.827 115.700 -0.042 0.000 2.383 212 S HA 0.023 4.494 4.470 0.001 0.000 0.227 212 S C 2.576 177.285 174.600 0.182 0.000 1.026 212 S CA 0.848 59.094 58.200 0.076 0.000 0.981 212 S CB -0.503 62.753 63.200 0.094 0.000 0.818 212 S HN 0.599 nan 8.310 nan 0.000 0.472 213 A N 1.702 124.597 122.820 0.125 0.000 1.877 213 A HA -0.043 4.277 4.320 0.001 0.000 0.216 213 A C 2.067 179.613 177.584 -0.064 0.000 1.186 213 A CA 1.197 53.207 52.037 -0.045 0.000 0.620 213 A CB -0.756 18.147 19.000 -0.161 0.000 0.822 213 A HN 0.467 nan 8.150 nan 0.000 0.443 214 I N -0.224 120.298 120.570 -0.080 0.000 2.163 214 I HA -0.320 3.851 4.170 0.001 0.000 0.243 214 I C 2.993 179.001 176.117 -0.181 0.000 1.085 214 I CA 1.188 62.391 61.300 -0.161 0.000 1.347 214 I CB -0.389 37.467 38.000 -0.241 0.000 1.044 214 I HN 0.378 nan 8.210 nan 0.000 0.408 215 A N 0.088 122.835 122.820 -0.121 0.000 1.877 215 A HA -0.242 4.078 4.320 0.001 0.000 0.216 215 A C 2.259 179.840 177.584 -0.005 0.000 1.186 215 A CA 1.586 53.585 52.037 -0.063 0.000 0.620 215 A CB -0.550 18.444 19.000 -0.011 0.000 0.822 215 A HN 0.488 nan 8.150 nan 0.000 0.443 216 Q N -1.988 117.837 119.800 0.041 0.000 2.137 216 Q HA -0.042 4.298 4.340 0.001 0.000 0.198 216 Q C 2.058 178.090 176.000 0.052 0.000 0.960 216 Q CA 1.355 57.210 55.803 0.087 0.000 0.847 216 Q CB -0.185 28.669 28.738 0.194 0.000 0.915 216 Q HN 0.629 nan 8.270 nan 0.000 0.448 217 M N 1.276 120.859 119.600 -0.028 0.000 2.296 217 M HA -0.163 4.318 4.480 0.001 0.000 0.265 217 M C 1.809 178.085 176.300 -0.041 0.000 1.064 217 M CA 1.468 56.727 55.300 -0.068 0.000 1.109 217 M CB -0.054 32.391 32.600 -0.258 0.000 1.396 217 M HN 0.160 nan 8.290 nan 0.000 0.430 218 E N -0.169 119.993 120.200 -0.063 0.000 2.049 218 E HA -0.269 4.082 4.350 0.001 0.000 0.198 218 E C 1.508 178.007 176.600 -0.168 0.000 1.007 218 E CA 1.860 58.227 56.400 -0.056 0.000 0.809 218 E CB -0.144 29.577 29.700 0.036 0.000 0.749 218 E HN 0.575 nan 8.360 nan 0.000 0.450 219 N N -0.348 118.182 118.700 -0.284 0.000 2.216 219 N HA -0.138 4.602 4.740 0.001 0.000 0.183 219 N C 1.363 176.579 175.510 -0.489 0.000 1.017 219 N CA 1.078 53.662 53.050 -0.775 0.000 0.861 219 N CB -0.515 37.314 38.487 -1.096 0.000 0.986 219 N HN 0.365 nan 8.380 nan 0.000 0.428 220 W N 2.056 123.254 121.300 -0.170 0.000 2.378 220 W HA -0.032 4.629 4.660 0.001 0.000 0.313 220 W C 2.404 178.976 176.519 0.087 0.000 1.197 220 W CA 1.170 58.560 57.345 0.076 0.000 1.304 220 W CB -0.351 29.160 29.460 0.085 0.000 1.148 220 W HN -0.105 nan 8.180 nan 0.000 0.494 221 M N 0.910 120.679 119.600 0.281 0.000 2.082 221 M HA -0.210 4.270 4.480 0.001 0.000 0.258 221 M C 2.001 178.368 176.300 0.111 0.000 1.069 221 M CA 2.801 58.160 55.300 0.099 0.000 1.102 221 M CB -1.379 31.207 32.600 -0.023 0.000 1.336 221 M HN 0.120 nan 8.290 nan 0.000 0.404 222 V N -2.117 117.809 119.914 0.020 0.000 2.379 222 V HA -0.197 3.923 4.120 0.001 0.000 0.245 222 V C 2.065 178.237 176.094 0.130 0.000 1.044 222 V CA 1.318 63.658 62.300 0.066 0.000 1.036 222 V CB -1.588 30.203 31.823 -0.053 0.000 0.664 222 V HN 0.524 nan 8.190 nan 0.000 0.453 223 W N 0.536 121.826 121.300 -0.017 0.000 2.363 223 W HA 0.017 4.678 4.660 0.001 0.000 0.296 223 W C 2.644 179.051 176.519 -0.188 0.000 1.212 223 W CA 1.319 58.615 57.345 -0.082 0.000 1.260 223 W CB -1.173 28.236 29.460 -0.085 0.000 1.131 223 W HN 0.218 nan 8.180 nan 0.000 0.530 224 V N 0.780 120.629 119.914 -0.107 0.000 2.379 224 V HA -0.280 3.841 4.120 0.001 0.000 0.245 224 V C 2.379 178.316 176.094 -0.262 0.000 1.044 224 V CA 2.067 64.162 62.300 -0.342 0.000 1.036 224 V CB -0.892 30.489 31.823 -0.736 0.000 0.664 224 V HN 0.260 nan 8.190 nan 0.000 0.453 225 N N 0.204 118.908 118.700 0.006 0.000 2.166 225 N HA -0.215 4.526 4.740 0.001 0.000 0.186 225 N C 1.494 177.050 175.510 0.076 0.000 1.019 225 N CA 1.715 54.797 53.050 0.053 0.000 0.856 225 N CB -0.085 38.657 38.487 0.424 0.000 0.993 225 N HN 0.466 nan 8.380 nan 0.000 0.426 226 D N 0.985 121.457 120.400 0.121 0.000 2.097 226 D HA -0.143 4.498 4.640 0.001 0.000 0.195 226 D C 2.058 178.439 176.300 0.135 0.000 0.989 226 D CA 0.501 54.591 54.000 0.149 0.000 0.827 226 D CB -0.249 40.647 40.800 0.161 0.000 0.966 226 D HN 0.245 nan 8.370 nan 0.000 0.456 227 L N 0.889 122.137 121.223 0.043 0.000 1.994 227 L HA -0.157 4.183 4.340 0.001 0.000 0.208 227 L C 2.214 179.203 176.870 0.199 0.000 1.071 227 L CA 1.569 56.446 54.840 0.061 0.000 0.745 227 L CB -0.519 41.490 42.059 -0.084 0.000 0.892 227 L HN -0.070 nan 8.230 nan 0.000 0.431 228 M N -1.265 118.321 119.600 -0.024 0.000 2.213 228 M HA -0.124 4.356 4.480 0.001 0.000 0.263 228 M C 2.231 178.625 176.300 0.156 0.000 1.062 228 M CA 1.355 56.640 55.300 -0.025 0.000 1.105 228 M CB -1.356 30.883 32.600 -0.602 0.000 1.385 228 M HN 0.293 nan 8.290 nan 0.000 0.417 229 S N 0.047 115.867 115.700 0.199 0.000 2.496 229 S HA -0.007 4.464 4.470 0.001 0.000 0.224 229 S C 1.504 176.259 174.600 0.258 0.000 0.996 229 S CA 0.025 58.424 58.200 0.331 0.000 0.927 229 S CB -0.437 62.965 63.200 0.337 0.000 0.774 229 S HN 0.384 nan 8.310 nan 0.000 0.524 230 F N 1.637 121.669 119.950 0.136 0.000 2.225 230 F HA -0.222 4.305 4.527 0.001 0.000 0.302 230 F C 1.836 177.731 175.800 0.158 0.000 1.068 230 F CA 1.100 59.189 58.000 0.148 0.000 1.327 230 F CB -0.373 38.719 39.000 0.153 0.000 1.043 230 F HN 0.295 nan 8.300 nan 0.000 0.506 231 Y N 1.693 121.857 120.300 -0.227 0.000 2.206 231 Y HA -0.123 4.427 4.550 0.001 0.000 0.292 231 Y C 2.494 178.139 175.900 -0.425 0.000 1.123 231 Y CA 2.194 59.892 58.100 -0.669 0.000 1.142 231 Y CB -0.737 37.240 38.460 -0.804 0.000 1.006 231 Y HN 0.184 nan 8.280 nan 0.000 0.518 232 K N -0.069 120.147 120.400 -0.305 0.000 2.211 232 K HA -0.120 4.201 4.320 0.001 0.000 0.203 232 K C 1.352 177.790 176.600 -0.270 0.000 1.050 232 K CA 1.955 58.044 56.287 -0.331 0.000 0.945 232 K CB -0.313 32.103 32.500 -0.140 0.000 0.732 232 K HN 0.409 nan 8.250 nan 0.000 0.451 233 E N -0.104 119.981 120.200 -0.192 0.000 2.442 233 E HA -0.031 4.320 4.350 0.001 0.000 0.195 233 E C 1.369 177.845 176.600 -0.205 0.000 1.030 233 E CA -0.042 56.268 56.400 -0.150 0.000 0.869 233 E CB -0.113 29.555 29.700 -0.053 0.000 0.857 233 E HN 0.245 nan 8.360 nan 0.000 0.505 234 F N 2.422 122.098 119.950 -0.458 0.000 2.065 234 F HA -0.234 4.293 4.527 0.001 0.000 0.298 234 F C 1.551 177.193 175.800 -0.263 0.000 1.112 234 F CA 1.678 59.420 58.000 -0.431 0.000 1.212 234 F CB 0.261 38.997 39.000 -0.441 0.000 0.975 234 F HN -0.112 nan 8.300 nan 0.000 0.476 235 D N -0.378 119.923 120.400 -0.166 0.000 2.388 235 D HA 0.018 4.659 4.640 0.001 0.000 0.221 235 D C -0.439 175.759 176.300 -0.170 0.000 1.133 235 D CA 0.156 54.050 54.000 -0.177 0.000 0.831 235 D CB -0.459 40.297 40.800 -0.075 0.000 0.962 235 D HN 0.233 nan 8.370 nan 0.000 0.502 236 D N 1.075 121.369 120.400 -0.178 0.000 2.453 236 D HA 0.027 4.667 4.640 0.001 0.000 0.223 236 D C 1.012 177.241 176.300 -0.119 0.000 1.183 236 D CA -0.005 53.912 54.000 -0.138 0.000 0.933 236 D CB 0.438 41.161 40.800 -0.129 0.000 1.038 236 D HN 0.016 nan 8.370 nan 0.000 0.513 237 E N 2.074 122.211 120.200 -0.104 0.000 2.409 237 E HA -0.108 4.243 4.350 0.001 0.000 0.198 237 E C 1.512 178.072 176.600 -0.066 0.000 1.024 237 E CA 0.394 56.742 56.400 -0.086 0.000 0.861 237 E CB 0.418 30.073 29.700 -0.075 0.000 0.788 237 E HN 0.447 nan 8.360 nan 0.000 0.521 238 R N 0.837 121.299 120.500 -0.064 0.000 2.075 238 R HA -0.045 4.295 4.340 0.001 0.000 0.226 238 R C 0.672 176.946 176.300 -0.043 0.000 1.114 238 R CA 0.690 56.760 56.100 -0.050 0.000 0.972 238 R CB 0.008 30.277 30.300 -0.051 0.000 0.869 238 R HN -0.011 nan 8.270 nan 0.000 0.437 239 D N 0.839 121.209 120.400 -0.049 0.000 2.374 239 D HA 0.005 4.646 4.640 0.001 0.000 0.240 239 D C 0.371 176.652 176.300 -0.032 0.000 1.229 239 D CA 0.173 54.152 54.000 -0.034 0.000 0.895 239 D CB 0.874 41.652 40.800 -0.037 0.000 1.046 239 D HN 0.064 nan 8.370 nan 0.000 0.498 240 Q N 2.822 122.612 119.800 -0.016 0.000 2.384 240 Q HA 0.186 4.526 4.340 0.001 0.000 0.207 240 Q C 0.414 176.416 176.000 0.004 0.000 0.904 240 Q CA 0.311 56.107 55.803 -0.011 0.000 0.933 240 Q CB 0.436 29.173 28.738 -0.003 0.000 1.077 240 Q HN 0.640 nan 8.270 nan 0.000 0.522 241 I N -2.102 118.477 120.570 0.014 0.000 2.689 241 I HA 0.740 4.910 4.170 0.001 0.000 0.299 241 I C -0.560 175.571 176.117 0.023 0.000 1.059 241 I CA -0.947 60.368 61.300 0.025 0.000 1.055 241 I CB 2.330 40.362 38.000 0.052 0.000 1.243 241 I HN -0.122 nan 8.210 nan 0.000 0.425 242 S N 4.003 119.712 115.700 0.016 0.000 2.627 242 S HA 0.287 4.758 4.470 0.001 0.000 0.268 242 S C 0.005 174.578 174.600 -0.046 0.000 1.130 242 S CA -0.787 57.421 58.200 0.013 0.000 0.819 242 S CB 1.525 64.756 63.200 0.053 0.000 1.100 242 S HN 0.873 nan 8.310 nan 0.000 0.465 243 L N 1.742 122.915 121.223 -0.084 0.000 1.990 243 L HA -0.010 4.330 4.340 0.001 0.000 0.213 243 L C 2.352 178.964 176.870 -0.431 0.000 1.072 243 L CA 2.370 57.042 54.840 -0.279 0.000 0.755 243 L CB -0.934 40.999 42.059 -0.210 0.000 0.889 243 L HN 0.736 nan 8.230 nan 0.000 0.432 244 V N -0.533 119.287 119.914 -0.156 0.000 2.295 244 V HA -0.298 3.823 4.120 0.001 0.000 0.246 244 V C 2.552 178.697 176.094 0.085 0.000 1.049 244 V CA 2.152 64.462 62.300 0.017 0.000 1.024 244 V CB -0.729 31.189 31.823 0.158 0.000 0.648 244 V HN 0.444 nan 8.190 nan 0.000 0.447 245 K N 0.353 120.794 120.400 0.068 0.000 2.147 245 K HA -0.134 4.186 4.320 0.001 0.000 0.205 245 K C 1.957 178.587 176.600 0.050 0.000 1.049 245 K CA 1.522 57.848 56.287 0.065 0.000 0.936 245 K CB -0.240 32.283 32.500 0.038 0.000 0.722 245 K HN 0.439 nan 8.250 nan 0.000 0.446 246 N N -0.167 118.542 118.700 0.014 0.000 2.300 246 N HA -0.109 4.632 4.740 0.001 0.000 0.179 246 N C 1.453 177.041 175.510 0.130 0.000 1.016 246 N CA 0.956 54.032 53.050 0.043 0.000 0.876 246 N CB -0.210 38.300 38.487 0.039 0.000 0.979 246 N HN 0.163 nan 8.380 nan 0.000 0.432 247 Y N 1.341 121.675 120.300 0.058 0.000 2.145 247 Y HA -0.080 4.471 4.550 0.001 0.000 0.286 247 Y C 2.468 178.382 175.900 0.023 0.000 1.145 247 Y CA 0.201 58.321 58.100 0.034 0.000 1.148 247 Y CB -0.893 37.571 38.460 0.007 0.000 0.981 247 Y HN -0.182 nan 8.280 nan 0.000 0.507 248 V N -0.891 119.148 119.914 0.209 0.000 2.287 248 V HA -0.300 3.820 4.120 0.001 0.000 0.248 248 V C 2.302 178.451 176.094 0.091 0.000 1.053 248 V CA 1.908 64.281 62.300 0.123 0.000 1.027 248 V CB -0.977 30.908 31.823 0.103 0.000 0.646 248 V HN 0.225 nan 8.190 nan 0.000 0.447 249 V N -0.817 119.142 119.914 0.076 0.000 2.407 249 V HA -0.147 3.973 4.120 0.001 0.000 0.245 249 V C 2.423 178.554 176.094 0.061 0.000 1.041 249 V CA 2.085 64.410 62.300 0.042 0.000 1.040 249 V CB -0.487 31.324 31.823 -0.020 0.000 0.671 249 V HN 0.517 nan 8.190 nan 0.000 0.455 250 S N -0.079 115.680 115.700 0.098 0.000 2.414 250 S HA -0.108 4.362 4.470 0.001 0.000 0.227 250 S C 1.504 176.253 174.600 0.248 0.000 1.022 250 S CA 1.150 59.447 58.200 0.162 0.000 0.958 250 S CB -0.192 63.144 63.200 0.226 0.000 0.797 250 S HN 0.606 nan 8.310 nan 0.000 0.493 251 D N 0.771 121.262 120.400 0.152 0.000 2.360 251 D HA 0.079 4.719 4.640 0.001 0.000 0.210 251 D C -0.195 176.130 176.300 0.042 0.000 1.047 251 D CA 0.186 54.184 54.000 -0.003 0.000 0.854 251 D CB -0.011 40.682 40.800 -0.178 0.000 0.936 251 D HN 0.437 nan 8.370 nan 0.000 0.514 252 E N 0.730 120.978 120.200 0.080 0.000 2.246 252 E HA -0.194 4.156 4.350 0.001 0.000 0.211 252 E C 0.184 176.807 176.600 0.040 0.000 1.278 252 E CA 0.212 56.653 56.400 0.068 0.000 0.694 252 E CB -2.058 27.693 29.700 0.085 0.000 1.166 252 E HN 0.537 nan 8.360 nan 0.000 0.370 253 I N -3.353 117.237 120.570 0.034 0.000 3.322 253 I HA 0.640 4.811 4.170 0.001 0.000 0.313 253 I C 0.560 176.706 176.117 0.049 0.000 1.129 253 I CA -1.092 60.222 61.300 0.023 0.000 0.963 253 I CB 1.882 39.873 38.000 -0.015 0.000 1.273 253 I HN 0.053 nan 8.210 nan 0.000 0.473 254 S N 1.130 116.865 115.700 0.058 0.000 2.632 254 S HA 0.264 4.735 4.470 0.001 0.000 0.267 254 S C 0.711 175.379 174.600 0.113 0.000 1.276 254 S CA -0.622 57.632 58.200 0.089 0.000 0.998 254 S CB 1.599 64.864 63.200 0.108 0.000 0.953 254 S HN 0.750 nan 8.310 nan 0.000 0.547 255 L N 0.845 122.157 121.223 0.148 0.000 2.083 255 L HA -0.020 4.320 4.340 0.001 0.000 0.209 255 L C 2.361 179.340 176.870 0.182 0.000 1.083 255 L CA 2.254 57.207 54.840 0.187 0.000 0.752 255 L CB -1.414 40.790 42.059 0.243 0.000 0.899 255 L HN 1.036 nan 8.230 nan 0.000 0.433 256 H N -0.276 118.865 119.070 0.118 0.000 2.353 256 H HA -0.128 4.429 4.556 0.001 0.000 0.300 256 H C 2.054 177.420 175.328 0.064 0.000 1.090 256 H CA 2.226 58.337 56.048 0.106 0.000 1.327 256 H CB 0.123 29.936 29.762 0.085 0.000 1.383 256 H HN 0.513 nan 8.280 nan 0.000 0.508 257 E N -0.369 119.841 120.200 0.018 0.000 2.150 257 E HA -0.088 4.263 4.350 0.001 0.000 0.193 257 E C 2.284 178.817 176.600 -0.112 0.000 0.985 257 E CA 0.632 56.992 56.400 -0.067 0.000 0.814 257 E CB -0.042 29.651 29.700 -0.012 0.000 0.752 257 E HN 0.600 nan 8.360 nan 0.000 0.466 258 A N 1.239 124.035 122.820 -0.040 0.000 1.929 258 A HA -0.112 4.209 4.320 0.001 0.000 0.216 258 A C 2.135 179.696 177.584 -0.039 0.000 1.176 258 A CA 0.717 52.761 52.037 0.012 0.000 0.628 258 A CB -0.345 18.756 19.000 0.168 0.000 0.816 258 A HN 0.210 nan 8.150 nan 0.000 0.444 259 L N 0.114 121.247 121.223 -0.149 0.000 2.093 259 L HA -0.079 4.261 4.340 0.001 0.000 0.208 259 L C 2.050 178.738 176.870 -0.304 0.000 1.085 259 L CA 2.125 56.758 54.840 -0.345 0.000 0.755 259 L CB -0.613 41.138 42.059 -0.513 0.000 0.904 259 L HN 0.501 nan 8.230 nan 0.000 0.435 260 E N -0.436 119.620 120.200 -0.240 0.000 2.051 260 E HA -0.292 4.058 4.350 0.001 0.000 0.192 260 E C 2.127 178.609 176.600 -0.197 0.000 0.991 260 E CA 1.464 57.763 56.400 -0.170 0.000 0.799 260 E CB -0.109 29.473 29.700 -0.198 0.000 0.748 260 E HN 0.457 nan 8.360 nan 0.000 0.449 261 K N 0.769 121.031 120.400 -0.230 0.000 2.026 261 K HA -0.199 4.122 4.320 0.001 0.000 0.208 261 K C 2.259 178.679 176.600 -0.299 0.000 1.048 261 K CA 0.990 57.105 56.287 -0.287 0.000 0.929 261 K CB -0.127 32.099 32.500 -0.458 0.000 0.713 261 K HN 0.024 nan 8.250 nan 0.000 0.439 262 L N 1.336 122.423 121.223 -0.226 0.000 2.017 262 L HA -0.178 4.163 4.340 0.001 0.000 0.208 262 L C 2.306 178.951 176.870 -0.375 0.000 1.073 262 L CA 2.623 57.291 54.840 -0.286 0.000 0.745 262 L CB -1.076 40.880 42.059 -0.171 0.000 0.894 262 L HN 0.467 nan 8.230 nan 0.000 0.432 263 T N -3.339 111.020 114.554 -0.325 0.000 2.788 263 T HA -0.238 4.113 4.350 0.001 0.000 0.268 263 T C 1.811 176.313 174.700 -0.330 0.000 1.044 263 T CA 1.611 63.520 62.100 -0.318 0.000 1.139 263 T CB -0.579 68.115 68.868 -0.289 0.000 0.867 263 T HN 0.551 nan 8.240 nan 0.000 0.454 264 Q N 0.626 120.237 119.800 -0.314 0.000 2.083 264 Q HA -0.089 4.252 4.340 0.001 0.000 0.198 264 Q C 2.172 177.933 176.000 -0.397 0.000 0.969 264 Q CA 1.420 56.999 55.803 -0.373 0.000 0.838 264 Q CB -0.172 28.441 28.738 -0.207 0.000 0.900 264 Q HN 0.531 nan 8.270 nan 0.000 0.436 265 D N 0.007 120.162 120.400 -0.409 0.000 2.117 265 D HA -0.105 4.536 4.640 0.001 0.000 0.197 265 D C 1.843 177.879 176.300 -0.441 0.000 0.987 265 D CA 1.376 55.026 54.000 -0.582 0.000 0.829 265 D CB -0.227 39.766 40.800 -1.344 0.000 0.961 265 D HN 0.163 nan 8.370 nan 0.000 0.460 266 T N 0.997 115.309 114.554 -0.404 0.000 2.746 266 T HA -0.062 4.288 4.350 0.001 0.000 0.267 266 T C 2.223 176.869 174.700 -0.089 0.000 1.039 266 T CA 0.606 62.628 62.100 -0.131 0.000 1.142 266 T CB -0.232 68.509 68.868 -0.213 0.000 0.866 266 T HN 0.120 nan 8.240 nan 0.000 0.444 267 L N 0.073 121.122 121.223 -0.291 0.000 2.056 267 L HA -0.084 4.257 4.340 0.001 0.000 0.207 267 L C 2.770 179.494 176.870 -0.243 0.000 1.078 267 L CA 1.166 55.727 54.840 -0.465 0.000 0.749 267 L CB -0.661 40.976 42.059 -0.704 0.000 0.901 267 L HN 0.313 nan 8.230 nan 0.000 0.433 268 H N -1.277 117.764 119.070 -0.050 0.000 2.421 268 H HA -0.133 4.424 4.556 0.001 0.000 0.298 268 H C 2.577 178.017 175.328 0.186 0.000 1.087 268 H CA 1.556 57.647 56.048 0.072 0.000 1.330 268 H CB -0.086 29.706 29.762 0.051 0.000 1.388 268 H HN 0.231 nan 8.280 nan 0.000 0.526 269 S N -0.170 115.760 115.700 0.383 0.000 2.395 269 S HA -0.073 4.398 4.470 0.001 0.000 0.225 269 S C 2.276 177.160 174.600 0.473 0.000 1.027 269 S CA 0.941 59.431 58.200 0.484 0.000 0.965 269 S CB 0.078 63.693 63.200 0.692 0.000 0.812 269 S HN 0.342 nan 8.310 nan 0.000 0.482 270 S N 1.542 117.530 115.700 0.479 0.000 2.345 270 S HA -0.056 4.415 4.470 0.001 0.000 0.220 270 S C 1.860 176.675 174.600 0.358 0.000 1.031 270 S CA 1.234 59.707 58.200 0.454 0.000 0.996 270 S CB -0.442 63.029 63.200 0.451 0.000 0.882 270 S HN 0.593 nan 8.310 nan 0.000 0.445 271 K N 0.902 121.556 120.400 0.423 0.000 2.044 271 K HA -0.179 4.142 4.320 0.001 0.000 0.210 271 K C 2.058 178.820 176.600 0.270 0.000 1.049 271 K CA 1.354 57.909 56.287 0.447 0.000 0.927 271 K CB -0.085 32.738 32.500 0.538 0.000 0.713 271 K HN 0.187 nan 8.250 nan 0.000 0.443 272 Q N -0.015 119.935 119.800 0.250 0.000 2.230 272 Q HA -0.125 4.215 4.340 0.001 0.000 0.202 272 Q C 1.919 178.017 176.000 0.163 0.000 0.963 272 Q CA 1.015 56.925 55.803 0.180 0.000 0.866 272 Q CB -0.205 28.641 28.738 0.180 0.000 0.931 272 Q HN 0.352 nan 8.270 nan 0.000 0.452 273 M N 0.050 119.766 119.600 0.194 0.000 2.099 273 M HA -0.106 4.374 4.480 0.001 0.000 0.262 273 M C 1.913 178.347 176.300 0.223 0.000 1.067 273 M CA 1.257 56.681 55.300 0.206 0.000 1.124 273 M CB -0.313 32.297 32.600 0.016 0.000 1.353 273 M HN -0.042 nan 8.290 nan 0.000 0.410 274 V N 0.460 120.463 119.914 0.149 0.000 2.307 274 V HA -0.212 3.908 4.120 0.001 0.000 0.245 274 V C 2.555 178.709 176.094 0.100 0.000 1.045 274 V CA 1.825 64.200 62.300 0.126 0.000 1.024 274 V CB -1.715 30.180 31.823 0.120 0.000 0.651 274 V HN 0.631 nan 8.190 nan 0.000 0.449 275 A N -0.480 122.391 122.820 0.085 0.000 2.024 275 A HA -0.137 4.184 4.320 0.001 0.000 0.220 275 A C 2.289 179.856 177.584 -0.028 0.000 1.164 275 A CA 2.088 54.148 52.037 0.037 0.000 0.643 275 A CB -0.452 18.577 19.000 0.048 0.000 0.806 275 A HN 0.386 nan 8.150 nan 0.000 0.451 276 V N -2.422 117.445 119.914 -0.078 0.000 2.575 276 V HA -0.010 4.111 4.120 0.001 0.000 0.242 276 V C 1.801 177.613 176.094 -0.469 0.000 1.045 276 V CA 1.279 63.385 62.300 -0.322 0.000 1.065 276 V CB -0.651 30.859 31.823 -0.523 0.000 0.717 276 V HN 0.547 nan 8.190 nan 0.000 0.467 277 F N -0.274 119.669 119.950 -0.012 0.000 2.749 277 F HA 0.178 4.706 4.527 0.001 0.000 0.300 277 F C 2.148 177.944 175.800 -0.007 0.000 1.103 277 F CA 0.234 58.225 58.000 -0.016 0.000 1.342 277 F CB -0.275 38.709 39.000 -0.025 0.000 1.098 277 F HN -0.068 nan 8.300 nan 0.000 0.586 278 S N 0.356 116.128 115.700 0.121 0.000 2.723 278 S HA -0.101 4.369 4.470 0.001 0.000 0.231 278 S C 0.791 175.423 174.600 0.053 0.000 0.967 278 S CA 1.117 59.366 58.200 0.081 0.000 0.958 278 S CB -0.684 62.552 63.200 0.060 0.000 0.778 278 S HN 0.581 nan 8.310 nan 0.000 0.537 279 D N -1.520 118.906 120.400 0.044 0.000 2.640 279 D HA 0.172 4.812 4.640 0.001 0.000 0.282 279 D C -0.104 176.210 176.300 0.024 0.000 1.558 279 D CA -0.262 53.752 54.000 0.024 0.000 0.820 279 D CB 0.135 40.936 40.800 0.001 0.000 1.243 279 D HN -0.017 nan 8.370 nan 0.000 0.456 280 K N 0.704 121.138 120.400 0.057 0.000 2.502 280 K HA 0.258 4.578 4.320 0.001 0.000 0.252 280 K C -0.003 176.645 176.600 0.080 0.000 1.043 280 K CA -0.696 55.629 56.287 0.062 0.000 0.999 280 K CB 0.369 32.931 32.500 0.102 0.000 1.343 280 K HN -0.109 nan 8.250 nan 0.000 0.513 281 D N 1.019 121.467 120.400 0.080 0.000 2.648 281 D HA -0.086 4.555 4.640 0.001 0.000 0.229 281 D C -1.669 174.694 176.300 0.105 0.000 1.119 281 D CA -0.594 53.456 54.000 0.083 0.000 0.850 281 D CB 0.747 41.604 40.800 0.094 0.000 1.169 281 D HN 0.078 nan 8.370 nan 0.000 0.489 282 P HA -0.171 nan 4.420 nan 0.000 0.214 282 P C 1.360 178.721 177.300 0.102 0.000 1.163 282 P CA 1.359 64.503 63.100 0.074 0.000 0.883 282 P CB 0.070 31.796 31.700 0.044 0.000 0.788 283 Q N -0.270 119.598 119.800 0.114 0.000 2.135 283 Q HA -0.150 4.191 4.340 0.001 0.000 0.204 283 Q C 1.888 178.115 176.000 0.379 0.000 0.981 283 Q CA 1.543 57.445 55.803 0.165 0.000 0.856 283 Q CB -0.470 28.288 28.738 0.034 0.000 0.902 283 Q HN 0.013 nan 8.270 nan 0.000 0.425 284 V N 0.738 120.898 119.914 0.411 0.000 2.261 284 V HA -0.273 3.848 4.120 0.001 0.000 0.246 284 V C 2.322 178.558 176.094 0.238 0.000 1.047 284 V CA 1.881 64.437 62.300 0.426 0.000 1.015 284 V CB -0.517 31.410 31.823 0.173 0.000 0.642 284 V HN 0.513 nan 8.190 nan 0.000 0.446 285 M N 0.636 120.328 119.600 0.153 0.000 2.358 285 M HA -0.127 4.354 4.480 0.001 0.000 0.264 285 M C 1.502 177.815 176.300 0.021 0.000 1.064 285 M CA 1.782 57.128 55.300 0.076 0.000 1.093 285 M CB -0.779 31.885 32.600 0.105 0.000 1.401 285 M HN 0.401 nan 8.290 nan 0.000 0.440 286 D N -1.065 119.370 120.400 0.059 0.000 2.091 286 D HA -0.104 4.537 4.640 0.001 0.000 0.199 286 D C 1.602 177.883 176.300 -0.032 0.000 0.980 286 D CA 1.830 55.839 54.000 0.014 0.000 0.831 286 D CB -0.175 40.652 40.800 0.044 0.000 0.987 286 D HN 0.361 nan 8.370 nan 0.000 0.460 287 T N 0.391 114.954 114.554 0.016 0.000 2.684 287 T HA -0.133 4.218 4.350 0.001 0.000 0.267 287 T C 2.098 176.652 174.700 -0.243 0.000 1.036 287 T CA 1.195 63.218 62.100 -0.129 0.000 1.148 287 T CB -0.342 68.381 68.868 -0.242 0.000 0.863 287 T HN 0.184 nan 8.240 nan 0.000 0.436 288 I N 0.569 121.008 120.570 -0.219 0.000 2.163 288 I HA -0.195 3.975 4.170 0.001 0.000 0.243 288 I C 2.716 178.667 176.117 -0.277 0.000 1.085 288 I CA 1.524 62.645 61.300 -0.298 0.000 1.347 288 I CB -0.349 37.440 38.000 -0.352 0.000 1.044 288 I HN 0.337 nan 8.210 nan 0.000 0.408 289 E N 0.184 120.233 120.200 -0.253 0.000 2.072 289 E HA -0.214 4.137 4.350 0.001 0.000 0.191 289 E C 2.368 178.700 176.600 -0.446 0.000 0.985 289 E CA 1.454 57.625 56.400 -0.381 0.000 0.801 289 E CB 0.030 29.550 29.700 -0.300 0.000 0.750 289 E HN 0.507 nan 8.360 nan 0.000 0.452 290 C N 0.218 119.370 119.300 -0.247 0.000 2.422 290 C HA -0.098 4.362 4.460 0.001 0.000 0.279 290 C C 2.307 177.231 174.990 -0.109 0.000 1.305 290 C CA 0.328 59.254 59.018 -0.153 0.000 1.757 290 C CB -1.120 26.542 27.740 -0.130 0.000 1.962 290 C HN 0.513 nan 8.230 nan 0.000 0.499 291 F N 1.291 121.066 119.950 -0.291 0.000 2.113 291 F HA -0.106 4.421 4.527 0.001 0.000 0.297 291 F C 2.337 178.082 175.800 -0.092 0.000 1.103 291 F CA 1.670 59.492 58.000 -0.297 0.000 1.248 291 F CB -0.428 38.243 39.000 -0.548 0.000 0.999 291 F HN 0.098 nan 8.300 nan 0.000 0.475 292 M N -0.669 118.828 119.600 -0.172 0.000 2.117 292 M HA -0.240 4.241 4.480 0.001 0.000 0.262 292 M C 2.234 178.721 176.300 0.312 0.000 1.065 292 M CA 2.070 57.307 55.300 -0.104 0.000 1.114 292 M CB -1.066 31.242 32.600 -0.487 0.000 1.361 292 M HN 0.294 nan 8.290 nan 0.000 0.408 293 H N -0.848 118.316 119.070 0.157 0.000 2.326 293 H HA -0.046 4.510 4.556 0.001 0.000 0.301 293 H C 2.343 177.858 175.328 0.313 0.000 1.081 293 H CA 0.736 56.967 56.048 0.305 0.000 1.334 293 H CB -0.246 29.603 29.762 0.144 0.000 1.385 293 H HN 0.474 nan 8.280 nan 0.000 0.504 294 G N 0.772 109.745 108.800 0.288 0.000 2.446 294 G HA2 -0.308 3.653 3.960 0.001 0.000 0.217 294 G HA3 -0.308 3.653 3.960 0.001 0.000 0.217 294 G C 1.482 176.591 174.900 0.348 0.000 1.168 294 G CA 0.697 45.962 45.100 0.275 0.000 0.771 294 G HN 0.290 nan 8.290 nan 0.000 0.551 295 F N 1.325 121.255 119.950 -0.033 0.000 2.091 295 F HA -0.144 4.384 4.527 0.001 0.000 0.299 295 F C 2.817 178.838 175.800 0.369 0.000 1.103 295 F CA 1.413 59.454 58.000 0.069 0.000 1.228 295 F CB -0.434 38.430 39.000 -0.226 0.000 0.984 295 F HN 0.017 nan 8.300 nan 0.000 0.477 296 V N -0.741 119.379 119.914 0.345 0.000 2.358 296 V HA -0.300 3.821 4.120 0.001 0.000 0.246 296 V C 2.280 178.405 176.094 0.051 0.000 1.047 296 V CA 2.299 64.650 62.300 0.086 0.000 1.035 296 V CB -1.202 30.591 31.823 -0.049 0.000 0.658 296 V HN 0.373 nan 8.190 nan 0.000 0.452 297 T N -1.031 113.665 114.554 0.238 0.000 2.746 297 T HA -0.261 4.090 4.350 0.001 0.000 0.267 297 T C 1.438 176.302 174.700 0.273 0.000 1.039 297 T CA 1.957 64.216 62.100 0.265 0.000 1.142 297 T CB -0.388 68.697 68.868 0.362 0.000 0.866 297 T HN 0.733 nan 8.240 nan 0.000 0.444 298 W N 1.975 123.370 121.300 0.157 0.000 2.355 298 W HA -0.142 4.519 4.660 0.001 0.000 0.309 298 W C 2.219 178.649 176.519 -0.150 0.000 1.206 298 W CA 1.100 58.445 57.345 0.000 0.000 1.284 298 W CB -0.719 28.680 29.460 -0.103 0.000 1.145 298 W HN 0.368 nan 8.180 nan 0.000 0.502 299 H N -0.033 118.710 119.070 -0.545 0.000 2.353 299 H HA -0.140 4.417 4.556 0.001 0.000 0.300 299 H C 2.267 177.321 175.328 -0.457 0.000 1.090 299 H CA 2.203 57.707 56.048 -0.906 0.000 1.327 299 H CB -0.615 28.624 29.762 -0.872 0.000 1.383 299 H HN 0.237 nan 8.280 nan 0.000 0.508 300 L N -0.519 120.599 121.223 -0.175 0.000 2.217 300 L HA -0.139 4.202 4.340 0.001 0.000 0.211 300 L C 2.448 179.175 176.870 -0.239 0.000 1.107 300 L CA 0.616 55.339 54.840 -0.196 0.000 0.783 300 L CB -0.002 41.879 42.059 -0.298 0.000 0.919 300 L HN 0.282 nan 8.230 nan 0.000 0.442 301 C N -1.714 117.494 119.300 -0.153 0.000 2.611 301 C HA 0.063 4.524 4.460 0.001 0.000 0.282 301 C C 1.140 176.105 174.990 -0.042 0.000 1.321 301 C CA -0.700 58.271 59.018 -0.079 0.000 1.747 301 C CB -0.305 27.471 27.740 0.060 0.000 2.124 301 C HN 0.343 nan 8.230 nan 0.000 0.531 302 D N 1.161 121.486 120.400 -0.126 0.000 2.343 302 D HA 0.069 4.709 4.640 0.001 0.000 0.255 302 D C 0.892 177.164 176.300 -0.047 0.000 1.187 302 D CA 0.020 53.955 54.000 -0.108 0.000 0.875 302 D CB 0.587 41.202 40.800 -0.310 0.000 1.136 302 D HN 0.352 nan 8.370 nan 0.000 0.469 303 R N 2.889 123.374 120.500 -0.025 0.000 2.293 303 R HA -0.132 4.209 4.340 0.001 0.000 0.219 303 R C 2.065 178.309 176.300 -0.093 0.000 1.091 303 R CA 0.401 56.491 56.100 -0.017 0.000 1.004 303 R CB 0.044 30.345 30.300 0.001 0.000 0.865 303 R HN 0.474 nan 8.270 nan 0.000 0.469 304 R N 0.513 120.881 120.500 -0.220 0.000 2.105 304 R HA -0.190 4.151 4.340 0.001 0.000 0.239 304 R C 0.914 176.885 176.300 -0.549 0.000 1.135 304 R CA 1.627 57.468 56.100 -0.430 0.000 0.967 304 R CB -0.113 29.798 30.300 -0.649 0.000 0.861 304 R HN 0.246 nan 8.270 nan 0.000 0.442 305 Y N -0.115 120.117 120.300 -0.114 0.000 2.511 305 Y HA 0.245 4.796 4.550 0.001 0.000 0.279 305 Y C 0.517 176.460 175.900 0.071 0.000 1.157 305 Y CA 0.226 58.300 58.100 -0.042 0.000 1.300 305 Y CB 0.247 38.661 38.460 -0.077 0.000 1.052 305 Y HN 0.005 nan 8.280 nan 0.000 0.529 306 R N -0.298 120.288 120.500 0.143 0.000 3.741 306 R HA -0.246 4.095 4.340 0.001 0.000 0.292 306 R C 0.681 177.131 176.300 0.250 0.000 1.176 306 R CA 0.631 56.847 56.100 0.193 0.000 0.794 306 R CB -2.266 28.147 30.300 0.188 0.000 1.213 306 R HN 0.417 nan 8.270 nan 0.000 0.494 307 L N -0.029 121.343 121.223 0.249 0.000 2.362 307 L HA -0.137 4.203 4.340 0.001 0.000 0.219 307 L C 2.455 179.536 176.870 0.352 0.000 1.134 307 L CA 1.542 56.537 54.840 0.260 0.000 0.807 307 L CB -0.362 41.916 42.059 0.364 0.000 0.927 307 L HN 0.451 nan 8.230 nan 0.000 0.447 308 S N -0.635 115.271 115.700 0.344 0.000 2.419 308 S HA -0.215 4.255 4.470 0.001 0.000 0.233 308 S C 1.638 176.323 174.600 0.142 0.000 1.016 308 S CA 1.102 59.464 58.200 0.269 0.000 0.974 308 S CB -0.222 63.125 63.200 0.246 0.000 0.786 308 S HN 0.513 nan 8.310 nan 0.000 0.492 309 E N 1.068 121.331 120.200 0.105 0.000 2.047 309 E HA -0.007 4.343 4.350 0.001 0.000 0.191 309 E C 2.033 178.606 176.600 -0.044 0.000 0.987 309 E CA 1.403 57.832 56.400 0.048 0.000 0.799 309 E CB -0.315 29.462 29.700 0.127 0.000 0.752 309 E HN 0.570 nan 8.360 nan 0.000 0.449 310 I N 0.426 120.890 120.570 -0.176 0.000 2.315 310 I HA -0.270 3.901 4.170 0.001 0.000 0.248 310 I C 2.394 178.579 176.117 0.114 0.000 1.117 310 I CA 0.951 62.164 61.300 -0.145 0.000 1.404 310 I CB -0.236 37.614 38.000 -0.248 0.000 1.071 310 I HN 0.175 nan 8.210 nan 0.000 0.419 311 Y N 2.136 122.466 120.300 0.050 0.000 2.089 311 Y HA -0.320 4.230 4.550 0.001 0.000 0.282 311 Y C 2.440 178.268 175.900 -0.120 0.000 1.139 311 Y CA 2.007 60.048 58.100 -0.099 0.000 1.123 311 Y CB -0.325 37.624 38.460 -0.852 0.000 0.980 311 Y HN 0.043 nan 8.280 nan 0.000 0.493 312 E N 0.715 120.829 120.200 -0.144 0.000 2.267 312 E HA -0.207 4.144 4.350 0.001 0.000 0.197 312 E C 2.009 178.514 176.600 -0.158 0.000 0.998 312 E CA 1.320 57.609 56.400 -0.184 0.000 0.830 312 E CB -0.266 29.427 29.700 -0.012 0.000 0.751 312 E HN 0.553 nan 8.360 nan 0.000 0.491 313 K N -0.455 119.884 120.400 -0.102 0.000 2.262 313 K HA -0.004 4.316 4.320 0.001 0.000 0.200 313 K C 1.109 177.669 176.600 -0.068 0.000 1.049 313 K CA 1.148 57.398 56.287 -0.062 0.000 0.979 313 K CB 0.466 32.951 32.500 -0.024 0.000 0.773 313 K HN 0.165 nan 8.250 nan 0.000 0.474 314 V N -2.072 117.790 119.914 -0.087 0.000 3.159 314 V HA 0.223 4.343 4.120 0.001 0.000 0.333 314 V C 1.407 177.419 176.094 -0.137 0.000 1.424 314 V CA -0.387 61.878 62.300 -0.057 0.000 1.125 314 V CB 0.336 32.177 31.823 0.030 0.000 1.075 314 V HN 0.105 nan 8.190 nan 0.000 0.482 315 K N 1.945 122.160 120.400 -0.309 0.000 2.015 315 K HA -0.156 4.164 4.320 0.001 0.000 0.216 315 K C 0.669 177.135 176.600 -0.224 0.000 1.052 315 K CA 2.244 58.248 56.287 -0.472 0.000 0.937 315 K CB 0.012 32.188 32.500 -0.541 0.000 0.719 315 K HN 0.745 nan 8.250 nan 0.000 0.446 316 E N 0.951 121.064 120.200 -0.145 0.000 2.167 316 E HA 0.143 4.494 4.350 0.001 0.000 0.247 316 E C -1.257 175.313 176.600 -0.050 0.000 0.961 316 E CA -0.203 56.149 56.400 -0.079 0.000 0.797 316 E CB 1.329 30.991 29.700 -0.064 0.000 1.182 316 E HN 0.195 nan 8.360 nan 0.000 0.437 317 E N 1.746 121.926 120.200 -0.033 0.000 2.343 317 E HA 0.187 4.538 4.350 0.001 0.000 0.278 317 E C -0.037 176.564 176.600 0.001 0.000 0.910 317 E CA -0.461 55.932 56.400 -0.013 0.000 0.757 317 E CB 1.188 30.885 29.700 -0.005 0.000 1.218 317 E HN 0.124 nan 8.360 nan 0.000 0.435 318 K N 0.694 121.096 120.400 0.003 0.000 2.418 318 K HA 0.032 4.353 4.320 0.001 0.000 0.195 318 K C 0.693 177.303 176.600 0.016 0.000 1.035 318 K CA 0.614 56.906 56.287 0.008 0.000 1.003 318 K CB -0.073 32.431 32.500 0.005 0.000 0.793 318 K HN 0.616 nan 8.250 nan 0.000 0.494 319 T N -0.680 113.887 114.554 0.021 0.000 2.906 319 T HA -0.064 4.287 4.350 0.001 0.000 0.320 319 T C 1.153 175.877 174.700 0.039 0.000 1.088 319 T CA -0.242 61.875 62.100 0.028 0.000 1.120 319 T CB 1.428 70.315 68.868 0.031 0.000 1.000 319 T HN 0.212 nan 8.240 nan 0.000 0.550 320 E N 1.036 121.261 120.200 0.041 0.000 2.031 320 E HA -0.208 4.142 4.350 0.001 0.000 0.193 320 E C 1.427 178.072 176.600 0.076 0.000 0.994 320 E CA 1.531 57.961 56.400 0.050 0.000 0.800 320 E CB -0.135 29.593 29.700 0.046 0.000 0.752 320 E HN 0.765 nan 8.360 nan 0.000 0.447 321 D N 0.589 121.038 120.400 0.082 0.000 2.116 321 D HA -0.208 4.433 4.640 0.001 0.000 0.193 321 D C 1.892 178.288 176.300 0.161 0.000 0.998 321 D CA 1.475 55.542 54.000 0.112 0.000 0.836 321 D CB -0.475 40.369 40.800 0.073 0.000 0.951 321 D HN 0.322 nan 8.370 nan 0.000 0.449 322 A N 1.038 123.936 122.820 0.130 0.000 1.892 322 A HA -0.284 4.037 4.320 0.001 0.000 0.218 322 A C 2.185 179.887 177.584 0.196 0.000 1.188 322 A CA 1.907 54.048 52.037 0.172 0.000 0.631 322 A CB -0.759 18.298 19.000 0.095 0.000 0.822 322 A HN 0.277 nan 8.150 nan 0.000 0.447 323 Q N -0.589 119.281 119.800 0.117 0.000 2.079 323 Q HA -0.159 4.182 4.340 0.001 0.000 0.200 323 Q C 2.156 178.205 176.000 0.082 0.000 0.974 323 Q CA 1.631 57.481 55.803 0.078 0.000 0.840 323 Q CB -0.203 28.558 28.738 0.038 0.000 0.898 323 Q HN 0.652 nan 8.270 nan 0.000 0.430 324 K N 0.131 120.594 120.400 0.106 0.000 2.063 324 K HA -0.173 4.147 4.320 0.001 0.000 0.208 324 K C 1.904 178.640 176.600 0.227 0.000 1.048 324 K CA 1.334 57.667 56.287 0.076 0.000 0.928 324 K CB -0.264 32.334 32.500 0.164 0.000 0.713 324 K HN 0.091 nan 8.250 nan 0.000 0.442 325 F N 1.723 121.807 119.950 0.224 0.000 2.046 325 F HA -0.290 4.237 4.527 0.001 0.000 0.297 325 F C 2.155 178.154 175.800 0.333 0.000 1.123 325 F CA 1.258 59.445 58.000 0.311 0.000 1.199 325 F CB -0.826 38.285 39.000 0.185 0.000 0.972 325 F HN 0.012 nan 8.300 nan 0.000 0.474 326 C N 1.367 120.690 119.300 0.038 0.000 2.401 326 C HA -0.220 4.240 4.460 0.001 0.000 0.276 326 C C 2.751 177.784 174.990 0.073 0.000 1.233 326 C CA 1.487 60.533 59.018 0.047 0.000 1.753 326 C CB -1.288 26.531 27.740 0.131 0.000 2.029 326 C HN 0.484 nan 8.230 nan 0.000 0.478 327 K N -0.226 120.186 120.400 0.020 0.000 2.057 327 K HA -0.129 4.192 4.320 0.001 0.000 0.207 327 K C 1.739 178.329 176.600 -0.016 0.000 1.049 327 K CA 1.494 57.754 56.287 -0.046 0.000 0.931 327 K CB -0.372 32.024 32.500 -0.173 0.000 0.714 327 K HN 0.399 nan 8.250 nan 0.000 0.440 328 F N 0.132 120.106 119.950 0.040 0.000 2.075 328 F HA -0.217 4.310 4.527 0.001 0.000 0.297 328 F C 2.453 178.252 175.800 -0.001 0.000 1.113 328 F CA 1.115 59.163 58.000 0.079 0.000 1.218 328 F CB -1.004 38.037 39.000 0.067 0.000 0.984 328 F HN 0.044 nan 8.300 nan 0.000 0.472 329 Y N 1.136 121.360 120.300 -0.127 0.000 2.114 329 Y HA -0.275 4.276 4.550 0.001 0.000 0.282 329 Y C 2.322 178.084 175.900 -0.229 0.000 1.165 329 Y CA 2.087 59.996 58.100 -0.320 0.000 1.148 329 Y CB -0.715 37.330 38.460 -0.693 0.000 0.972 329 Y HN 0.180 nan 8.280 nan 0.000 0.504 330 E N -0.404 119.860 120.200 0.106 0.000 2.110 330 E HA -0.274 4.076 4.350 0.001 0.000 0.193 330 E C 2.227 178.841 176.600 0.022 0.000 0.988 330 E CA 1.488 57.921 56.400 0.055 0.000 0.804 330 E CB -0.160 29.581 29.700 0.069 0.000 0.745 330 E HN 0.646 nan 8.360 nan 0.000 0.458 331 Q N 0.090 119.925 119.800 0.059 0.000 2.030 331 Q HA -0.203 4.138 4.340 0.001 0.000 0.204 331 Q C 2.332 178.359 176.000 0.046 0.000 0.986 331 Q CA 1.451 57.290 55.803 0.061 0.000 0.843 331 Q CB -0.254 28.565 28.738 0.135 0.000 0.904 331 Q HN 0.270 nan 8.270 nan 0.000 0.420 332 A N 1.228 124.102 122.820 0.090 0.000 1.892 332 A HA -0.237 4.083 4.320 0.001 0.000 0.218 332 A C 2.329 179.881 177.584 -0.054 0.000 1.188 332 A CA 1.965 54.033 52.037 0.051 0.000 0.631 332 A CB -1.044 17.934 19.000 -0.036 0.000 0.822 332 A HN 0.448 nan 8.150 nan 0.000 0.447 333 A N 0.249 122.985 122.820 -0.141 0.000 1.940 333 A HA -0.232 4.089 4.320 0.001 0.000 0.219 333 A C 1.877 179.441 177.584 -0.033 0.000 1.176 333 A CA 1.777 53.754 52.037 -0.101 0.000 0.631 333 A CB -0.735 18.208 19.000 -0.094 0.000 0.814 333 A HN 0.615 nan 8.150 nan 0.000 0.446 334 N N 0.042 118.726 118.700 -0.026 0.000 2.137 334 N HA -0.161 4.579 4.740 0.001 0.000 0.190 334 N C 1.646 177.137 175.510 -0.033 0.000 1.017 334 N CA 2.271 55.309 53.050 -0.019 0.000 0.859 334 N CB -0.348 38.129 38.487 -0.018 0.000 1.002 334 N HN 0.637 nan 8.380 nan 0.000 0.428 335 V N -4.152 115.731 119.914 -0.051 0.000 3.570 335 V HA 0.453 4.573 4.120 0.001 0.000 0.257 335 V C 1.954 177.974 176.094 -0.124 0.000 1.272 335 V CA 0.947 63.188 62.300 -0.097 0.000 1.079 335 V CB 0.080 31.829 31.823 -0.124 0.000 0.829 335 V HN 0.113 nan 8.190 nan 0.000 0.454 336 G N 0.611 109.381 108.800 -0.050 0.000 2.510 336 G HA2 0.312 4.272 3.960 0.001 0.000 0.212 336 G HA3 0.312 4.272 3.960 0.001 0.000 0.212 336 G C 0.948 175.955 174.900 0.178 0.000 1.151 336 G CA 0.502 45.649 45.100 0.078 0.000 0.817 336 G HN 0.863 nan 8.290 nan 0.000 0.534 337 A N 0.794 123.664 122.820 0.083 0.000 2.489 337 A HA 0.542 4.863 4.320 0.001 0.000 0.289 337 A C -0.541 177.112 177.584 0.115 0.000 1.216 337 A CA 0.076 52.168 52.037 0.093 0.000 0.883 337 A CB -0.010 19.018 19.000 0.047 0.000 1.110 337 A HN 0.223 nan 8.150 nan 0.000 0.523 338 V N 2.499 122.518 119.914 0.175 0.000 2.735 338 V HA 0.413 4.534 4.120 0.001 0.000 0.310 338 V C 0.623 176.873 176.094 0.261 0.000 1.061 338 V CA -0.667 61.756 62.300 0.205 0.000 0.913 338 V CB 2.012 33.971 31.823 0.227 0.000 1.005 338 V HN 0.870 nan 8.190 nan 0.000 0.428 339 S N 4.424 120.251 115.700 0.211 0.000 2.531 339 S HA 0.242 4.712 4.470 0.001 0.000 0.279 339 S C -1.479 173.229 174.600 0.180 0.000 1.305 339 S CA -0.883 57.410 58.200 0.155 0.000 1.058 339 S CB 1.160 64.413 63.200 0.088 0.000 0.899 339 S HN 0.602 nan 8.310 nan 0.000 0.493 340 P HA -0.101 nan 4.420 nan 0.000 0.219 340 P C 1.431 178.459 177.300 -0.453 0.000 1.146 340 P CA 1.098 63.975 63.100 -0.371 0.000 0.808 340 P CB -0.032 31.476 31.700 -0.319 0.000 0.779 341 S N -0.776 114.829 115.700 -0.157 0.000 2.474 341 S HA -0.126 4.345 4.470 0.001 0.000 0.235 341 S C 1.620 176.242 174.600 0.037 0.000 0.997 341 S CA 0.877 59.026 58.200 -0.084 0.000 0.949 341 S CB -0.953 62.202 63.200 -0.074 0.000 0.766 341 S HN 0.290 nan 8.310 nan 0.000 0.517 342 E N 0.094 120.370 120.200 0.127 0.000 2.435 342 E HA 0.023 4.374 4.350 0.001 0.000 0.195 342 E C 1.462 178.358 176.600 0.493 0.000 1.029 342 E CA 0.830 57.397 56.400 0.278 0.000 0.865 342 E CB -0.027 29.845 29.700 0.288 0.000 0.833 342 E HN 0.981 nan 8.360 nan 0.000 0.510 343 W N -1.410 120.020 121.300 0.217 0.000 3.900 343 W HA 0.408 5.068 4.660 0.001 0.000 0.186 343 W C 0.289 176.681 176.519 -0.211 0.000 1.082 343 W CA -0.023 57.378 57.345 0.093 0.000 1.537 343 W CB -0.072 29.447 29.460 0.098 0.000 0.639 343 W HN -0.130 nan 8.180 nan 0.000 0.912 344 A N 2.729 124.816 122.820 -1.222 0.000 2.990 344 A HA 0.486 4.806 4.320 0.001 0.000 0.282 344 A C -1.079 175.941 177.584 -0.941 0.000 1.688 344 A CA 0.301 51.254 52.037 -1.807 0.000 1.391 344 A CB -1.817 15.896 19.000 -2.146 0.000 1.112 344 A HN 0.457 nan 8.150 nan 0.000 0.588 345 Y N -0.386 119.668 120.300 -0.411 0.000 2.604 345 Y HA 0.734 5.284 4.550 0.001 0.000 0.331 345 Y C -3.291 172.771 175.900 0.270 0.000 1.158 345 Y CA -2.850 55.235 58.100 -0.025 0.000 1.056 345 Y CB 0.632 39.057 38.460 -0.059 0.000 1.330 345 Y HN 0.242 nan 8.280 nan 0.000 0.457 346 P HA 0.350 nan 4.420 nan 0.000 0.279 346 P C -2.768 174.651 177.300 0.198 0.000 1.276 346 P CA -1.693 61.562 63.100 0.260 0.000 0.801 346 P CB 0.778 32.583 31.700 0.176 0.000 1.127 347 P HA -0.008 nan 4.420 nan 0.000 0.269 347 P C 1.300 178.633 177.300 0.055 0.000 1.209 347 P CA -0.035 63.123 63.100 0.096 0.000 0.776 347 P CB 0.565 32.285 31.700 0.034 0.000 0.876 348 V N 2.746 122.687 119.914 0.045 0.000 2.282 348 V HA -0.324 3.797 4.120 0.001 0.000 0.249 348 V C 2.657 178.729 176.094 -0.035 0.000 1.057 348 V CA 2.969 65.251 62.300 -0.030 0.000 1.032 348 V CB -1.747 30.056 31.823 -0.035 0.000 0.645 348 V HN 0.698 nan 8.190 nan 0.000 0.447 349 A N -1.173 121.635 122.820 -0.019 0.000 1.940 349 A HA -0.325 3.995 4.320 0.001 0.000 0.219 349 A C 2.255 179.827 177.584 -0.021 0.000 1.176 349 A CA 2.212 54.236 52.037 -0.020 0.000 0.631 349 A CB -0.538 18.453 19.000 -0.016 0.000 0.814 349 A HN 0.627 nan 8.150 nan 0.000 0.446 350 Q N -0.471 119.320 119.800 -0.015 0.000 2.050 350 Q HA -0.107 4.233 4.340 0.001 0.000 0.202 350 Q C 1.951 177.933 176.000 -0.030 0.000 0.980 350 Q CA 1.483 57.279 55.803 -0.013 0.000 0.840 350 Q CB -0.212 28.529 28.738 0.004 0.000 0.898 350 Q HN 0.701 nan 8.270 nan 0.000 0.424 351 L N 0.033 121.219 121.223 -0.062 0.000 2.275 351 L HA -0.116 4.225 4.340 0.001 0.000 0.215 351 L C 2.397 179.220 176.870 -0.079 0.000 1.119 351 L CA 0.658 55.433 54.840 -0.108 0.000 0.790 351 L CB -0.458 41.453 42.059 -0.247 0.000 0.919 351 L HN 0.253 nan 8.230 nan 0.000 0.443 352 A N 0.274 123.060 122.820 -0.057 0.000 1.929 352 A HA -0.137 4.183 4.320 0.001 0.000 0.216 352 A C 1.991 179.559 177.584 -0.027 0.000 1.176 352 A CA 1.349 53.361 52.037 -0.040 0.000 0.628 352 A CB -0.337 18.645 19.000 -0.030 0.000 0.816 352 A HN 0.414 nan 8.150 nan 0.000 0.444 353 N N 0.038 118.725 118.700 -0.021 0.000 2.457 353 N HA 0.020 4.760 4.740 0.001 0.000 0.180 353 N C 0.775 176.279 175.510 -0.010 0.000 1.050 353 N CA 0.430 53.472 53.050 -0.014 0.000 0.906 353 N CB -0.207 38.274 38.487 -0.010 0.000 0.968 353 N HN 0.290 nan 8.380 nan 0.000 0.445 354 V N 0.000 119.906 119.914 -0.013 0.000 2.409 354 V HA 0.000 4.120 4.120 0.001 0.000 0.244 354 V CA 0.000 62.297 62.300 -0.005 0.000 1.235 354 V CB 0.000 31.821 31.823 -0.004 0.000 1.184 354 V HN 0.000 nan 8.190 nan 0.000 0.556