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 2q9y_1_A DATA FIRST_RESID 3 DATA SEQUENCE NFPTEYFLNT TVRLLEYIRY RDSNYTREER IENLHYAYNK AAHHFAQPRQ DATA SEQUENCE QQLLKVDPKR LQASLQTIVG MVVYSWAKVS KECMADLSIH YTYTLVLDDS DATA SEQUENCE KDDPYPTMVN YFDDLQAGRE QAHPWWALVN EHFPNVLRHF GPFCSLNLIR DATA SEQUENCE STLDFFEGCW IEQYNFGGFP GSHDYPQFLR RMNGLGHCVG ASLWPKEQFN DATA SEQUENCE ERSLFLEITS AIAQMENWMV WVNDLMSFYK EFDDERDQIS LVKNYVVSDE DATA SEQUENCE ISLHEALEKL TQDTLHSSKQ MVAVFSDKDP QVMDTIECFM HGYVTWHLCD DATA SEQUENCE RRYRLSEIYE KVKEEKTEDA QKFCKFYEQA ANVGAVSPSE WAYPPVAQLA DATA SEQUENCE NV 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.728 175.510 0.364 0.000 1.280 3 N CA 0.000 53.261 53.050 0.351 0.000 0.885 3 N CB 0.000 38.762 38.487 0.458 0.000 1.341 4 F N 0.389 120.375 119.950 0.061 0.000 2.165 4 F HA -0.053 4.475 4.527 0.002 0.000 0.530 4 F C -2.500 173.249 175.800 -0.085 0.000 1.299 4 F CA -0.847 56.907 58.000 -0.411 0.000 1.698 4 F CB -0.421 38.195 39.000 -0.640 0.000 2.720 4 F HN 0.316 nan 8.300 nan 0.000 0.722 5 P HA 0.089 nan 4.420 nan 0.000 0.238 5 P C 1.050 178.079 177.300 -0.452 0.000 1.649 5 P CA 0.972 63.896 63.100 -0.293 0.000 0.960 5 P CB -0.031 31.712 31.700 0.071 0.000 1.911 6 T N -1.046 113.283 114.554 -0.375 0.000 2.699 6 T HA -0.224 4.127 4.350 0.002 0.000 0.268 6 T C 1.476 176.171 174.700 -0.008 0.000 1.036 6 T CA 1.504 63.570 62.100 -0.057 0.000 1.147 6 T CB -0.250 68.710 68.868 0.152 0.000 0.862 6 T HN 0.453 nan 8.240 nan 0.000 0.446 7 E N -0.191 120.011 120.200 0.003 0.000 2.046 7 E HA -0.078 4.273 4.350 0.002 0.000 0.190 7 E C 2.033 178.675 176.600 0.070 0.000 0.982 7 E CA 0.804 57.219 56.400 0.025 0.000 0.800 7 E CB -0.258 29.460 29.700 0.030 0.000 0.756 7 E HN 0.486 nan 8.360 nan 0.000 0.449 8 Y N 0.916 121.181 120.300 -0.059 0.000 2.224 8 Y HA -0.248 4.303 4.550 0.002 0.000 0.289 8 Y C 1.945 177.822 175.900 -0.039 0.000 1.146 8 Y CA 1.051 59.121 58.100 -0.051 0.000 1.182 8 Y CB -0.500 37.932 38.460 -0.046 0.000 0.983 8 Y HN 0.017 nan 8.280 nan 0.000 0.524 9 F N 0.147 119.911 119.950 -0.310 0.000 2.075 9 F HA -0.231 4.297 4.527 0.002 0.000 0.297 9 F C 2.144 177.790 175.800 -0.257 0.000 1.113 9 F CA 1.789 59.567 58.000 -0.370 0.000 1.218 9 F CB -0.860 37.974 39.000 -0.276 0.000 0.984 9 F HN 0.047 nan 8.300 nan 0.000 0.472 10 L N 0.304 121.396 121.223 -0.219 0.000 2.013 10 L HA -0.328 4.013 4.340 0.002 0.000 0.212 10 L C 2.339 179.104 176.870 -0.176 0.000 1.073 10 L CA 2.011 56.678 54.840 -0.288 0.000 0.753 10 L CB -1.001 40.938 42.059 -0.200 0.000 0.890 10 L HN 0.315 nan 8.230 nan 0.000 0.432 11 N N -0.470 118.166 118.700 -0.107 0.000 2.043 11 N HA -0.189 4.553 4.740 0.002 0.000 0.193 11 N C 1.655 177.099 175.510 -0.109 0.000 1.037 11 N CA 2.322 55.349 53.050 -0.038 0.000 0.851 11 N CB -0.200 38.314 38.487 0.045 0.000 1.027 11 N HN 0.143 nan 8.380 nan 0.000 0.422 12 T N -0.951 113.451 114.554 -0.253 0.000 2.759 12 T HA -0.115 4.236 4.350 0.002 0.000 0.269 12 T C 1.712 176.211 174.700 -0.335 0.000 1.042 12 T CA 1.874 63.780 62.100 -0.322 0.000 1.140 12 T CB -0.800 67.768 68.868 -0.500 0.000 0.864 12 T HN 0.368 nan 8.240 nan 0.000 0.455 13 T N 1.788 116.082 114.554 -0.434 0.000 2.746 13 T HA -0.055 4.297 4.350 0.002 0.000 0.267 13 T C 2.193 176.790 174.700 -0.172 0.000 1.039 13 T CA 0.866 62.745 62.100 -0.369 0.000 1.142 13 T CB -0.460 68.172 68.868 -0.393 0.000 0.866 13 T HN 0.193 nan 8.240 nan 0.000 0.444 14 V N 1.518 121.419 119.914 -0.021 0.000 2.453 14 V HA -0.130 3.992 4.120 0.002 0.000 0.247 14 V C 2.551 178.702 176.094 0.095 0.000 1.048 14 V CA 1.448 63.830 62.300 0.138 0.000 1.049 14 V CB -0.584 31.407 31.823 0.280 0.000 0.672 14 V HN 0.387 nan 8.190 nan 0.000 0.457 15 R N -0.016 120.508 120.500 0.039 0.000 2.070 15 R HA -0.159 4.182 4.340 0.002 0.000 0.233 15 R C 2.299 178.585 176.300 -0.025 0.000 1.137 15 R CA 1.738 57.890 56.100 0.086 0.000 0.945 15 R CB -0.825 29.461 30.300 -0.024 0.000 0.845 15 R HN 0.409 nan 8.270 nan 0.000 0.430 16 L N 1.363 122.460 121.223 -0.210 0.000 2.013 16 L HA -0.178 4.163 4.340 0.002 0.000 0.212 16 L C 1.964 178.813 176.870 -0.036 0.000 1.073 16 L CA 1.759 56.487 54.840 -0.186 0.000 0.753 16 L CB -0.510 41.430 42.059 -0.197 0.000 0.890 16 L HN 0.183 nan 8.230 nan 0.000 0.432 17 L N -0.787 120.327 121.223 -0.181 0.000 2.083 17 L HA -0.219 4.123 4.340 0.002 0.000 0.209 17 L C 2.566 179.388 176.870 -0.081 0.000 1.083 17 L CA 1.543 56.177 54.840 -0.344 0.000 0.752 17 L CB -0.461 40.936 42.059 -1.103 0.000 0.899 17 L HN 0.425 nan 8.230 nan 0.000 0.433 18 E N -0.799 119.469 120.200 0.113 0.000 2.007 18 E HA -0.230 4.122 4.350 0.002 0.000 0.194 18 E C 2.103 178.891 176.600 0.313 0.000 0.999 18 E CA 1.479 58.056 56.400 0.294 0.000 0.811 18 E CB -0.146 29.762 29.700 0.346 0.000 0.762 18 E HN 0.252 nan 8.360 nan 0.000 0.450 19 Y N 0.883 121.246 120.300 0.105 0.000 2.002 19 Y HA -0.285 4.266 4.550 0.002 0.000 0.268 19 Y C 2.325 178.305 175.900 0.133 0.000 1.177 19 Y CA 1.751 59.920 58.100 0.116 0.000 1.111 19 Y CB -1.026 37.509 38.460 0.126 0.000 0.952 19 Y HN 0.256 nan 8.280 nan 0.000 0.491 20 I N -1.658 119.120 120.570 0.347 0.000 3.241 20 I HA -0.071 4.100 4.170 0.002 0.000 0.280 20 I C 0.581 176.893 176.117 0.326 0.000 1.320 20 I CA 0.944 62.409 61.300 0.274 0.000 1.413 20 I CB -0.562 37.614 38.000 0.293 0.000 1.060 20 I HN 0.226 nan 8.210 nan 0.000 0.500 21 R N -1.109 119.558 120.500 0.279 0.000 3.774 21 R HA -0.260 4.081 4.340 0.002 0.000 0.320 21 R C -0.226 176.181 176.300 0.178 0.000 1.175 21 R CA 0.583 56.829 56.100 0.243 0.000 0.849 21 R CB -2.986 27.454 30.300 0.233 0.000 1.365 21 R HN 0.563 nan 8.270 nan 0.000 0.502 22 Y N 2.986 123.268 120.300 -0.029 0.000 2.867 22 Y HA -0.219 4.332 4.550 0.002 0.000 0.367 22 Y C 0.975 176.715 175.900 -0.265 0.000 1.310 22 Y CA 1.325 59.195 58.100 -0.382 0.000 1.655 22 Y CB 0.042 38.294 38.460 -0.346 0.000 1.181 22 Y HN 0.303 nan 8.280 nan 0.000 0.533 23 R N 2.823 122.727 120.500 -0.993 0.000 3.132 23 R HA 0.433 4.774 4.340 0.002 0.000 0.257 23 R C -1.254 174.736 176.300 -0.517 0.000 1.203 23 R CA -0.989 54.775 56.100 -0.561 0.000 1.008 23 R CB 0.581 30.765 30.300 -0.194 0.000 1.378 23 R HN 0.351 nan 8.270 nan 0.000 0.448 24 D N 2.490 122.742 120.400 -0.247 0.000 2.368 24 D HA 0.047 4.688 4.640 0.002 0.000 0.268 24 D C 0.024 176.283 176.300 -0.067 0.000 1.298 24 D CA 0.489 54.400 54.000 -0.148 0.000 0.938 24 D CB 0.917 41.668 40.800 -0.081 0.000 1.101 24 D HN 0.520 nan 8.370 nan 0.000 0.509 25 S N 2.549 118.220 115.700 -0.049 0.000 2.634 25 S HA 0.161 4.632 4.470 0.002 0.000 0.261 25 S C 0.854 175.481 174.600 0.046 0.000 1.271 25 S CA -0.728 57.499 58.200 0.045 0.000 0.985 25 S CB 1.194 64.440 63.200 0.076 0.000 0.968 25 S HN 0.324 nan 8.310 nan 0.000 0.568 26 N N -0.724 118.018 118.700 0.071 0.000 2.203 26 N HA 0.102 4.843 4.740 0.002 0.000 0.207 26 N C -1.191 174.355 175.510 0.060 0.000 1.130 26 N CA 0.042 53.116 53.050 0.041 0.000 0.861 26 N CB -0.111 38.385 38.487 0.014 0.000 1.005 26 N HN 0.642 nan 8.380 nan 0.000 0.507 27 Y N 3.004 123.280 120.300 -0.040 0.000 2.585 27 Y HA 0.046 4.597 4.550 0.002 0.000 0.354 27 Y C 0.769 176.628 175.900 -0.069 0.000 1.024 27 Y CA -1.000 57.066 58.100 -0.057 0.000 1.321 27 Y CB -0.256 38.154 38.460 -0.084 0.000 1.151 27 Y HN -0.076 nan 8.280 nan 0.000 0.525 28 T N 2.284 116.957 114.554 0.197 0.000 2.884 28 T HA 0.168 4.519 4.350 0.002 0.000 0.298 28 T C 1.402 176.178 174.700 0.127 0.000 0.998 28 T CA -0.685 61.485 62.100 0.116 0.000 1.124 28 T CB 1.032 69.936 68.868 0.059 0.000 0.931 28 T HN 0.831 nan 8.240 nan 0.000 0.531 29 R N 1.261 121.793 120.500 0.052 0.000 2.185 29 R HA -0.178 4.163 4.340 0.002 0.000 0.247 29 R C 1.713 178.049 176.300 0.061 0.000 1.159 29 R CA 2.038 58.155 56.100 0.027 0.000 0.988 29 R CB -0.178 30.134 30.300 0.020 0.000 0.871 29 R HN 0.822 nan 8.270 nan 0.000 0.458 30 E N -0.105 120.137 120.200 0.071 0.000 2.152 30 E HA -0.134 4.217 4.350 0.002 0.000 0.192 30 E C 1.638 178.297 176.600 0.097 0.000 0.983 30 E CA 1.268 57.714 56.400 0.076 0.000 0.818 30 E CB 0.062 29.797 29.700 0.058 0.000 0.758 30 E HN 0.478 nan 8.360 nan 0.000 0.467 31 E N 0.495 120.766 120.200 0.118 0.000 2.072 31 E HA -0.049 4.302 4.350 0.002 0.000 0.190 31 E C 2.085 178.840 176.600 0.259 0.000 0.982 31 E CA 0.424 56.913 56.400 0.149 0.000 0.803 31 E CB -0.033 29.722 29.700 0.091 0.000 0.755 31 E HN 0.109 nan 8.360 nan 0.000 0.453 32 R N 0.618 121.277 120.500 0.266 0.000 2.096 32 R HA -0.155 4.186 4.340 0.002 0.000 0.240 32 R C 2.358 178.701 176.300 0.072 0.000 1.139 32 R CA 1.362 57.514 56.100 0.086 0.000 0.952 32 R CB -0.329 29.848 30.300 -0.206 0.000 0.854 32 R HN 0.225 nan 8.270 nan 0.000 0.436 33 I N 0.541 121.162 120.570 0.085 0.000 2.394 33 I HA -0.215 3.956 4.170 0.002 0.000 0.251 33 I C 1.873 178.099 176.117 0.182 0.000 1.136 33 I CA 1.223 62.592 61.300 0.115 0.000 1.425 33 I CB -0.313 37.778 38.000 0.152 0.000 1.079 33 I HN 0.253 nan 8.210 nan 0.000 0.425 34 E N 1.072 121.374 120.200 0.171 0.000 2.051 34 E HA -0.196 4.156 4.350 0.002 0.000 0.192 34 E C 1.850 178.592 176.600 0.237 0.000 0.991 34 E CA 1.233 57.748 56.400 0.190 0.000 0.799 34 E CB -0.159 29.617 29.700 0.127 0.000 0.748 34 E HN 0.499 nan 8.360 nan 0.000 0.449 35 N N 0.935 119.756 118.700 0.201 0.000 2.142 35 N HA -0.095 4.647 4.740 0.002 0.000 0.186 35 N C 2.055 177.683 175.510 0.197 0.000 1.023 35 N CA 0.746 53.924 53.050 0.213 0.000 0.852 35 N CB -0.305 38.316 38.487 0.222 0.000 0.998 35 N HN 0.124 nan 8.380 nan 0.000 0.424 36 L N 0.232 121.503 121.223 0.079 0.000 2.012 36 L HA -0.232 4.110 4.340 0.002 0.000 0.210 36 L C 2.447 179.491 176.870 0.289 0.000 1.073 36 L CA 1.527 56.304 54.840 -0.103 0.000 0.748 36 L CB -0.520 41.107 42.059 -0.720 0.000 0.891 36 L HN 0.271 nan 8.230 nan 0.000 0.431 37 H N -1.553 117.697 119.070 0.300 0.000 2.389 37 H HA -0.233 4.324 4.556 0.002 0.000 0.299 37 H C 2.078 177.565 175.328 0.267 0.000 1.081 37 H CA 1.661 57.896 56.048 0.312 0.000 1.345 37 H CB -0.073 29.815 29.762 0.210 0.000 1.393 37 H HN 0.296 nan 8.280 nan 0.000 0.520 38 Y N 0.418 120.804 120.300 0.143 0.000 2.114 38 Y HA -0.187 4.364 4.550 0.002 0.000 0.284 38 Y C 2.577 178.492 175.900 0.025 0.000 1.143 38 Y CA 1.873 60.012 58.100 0.065 0.000 1.135 38 Y CB -0.847 37.671 38.460 0.096 0.000 0.980 38 Y HN 0.326 nan 8.280 nan 0.000 0.499 39 A N -0.441 122.471 122.820 0.154 0.000 1.845 39 A HA -0.257 4.064 4.320 0.002 0.000 0.215 39 A C 2.172 179.759 177.584 0.004 0.000 1.195 39 A CA 1.714 53.787 52.037 0.061 0.000 0.616 39 A CB -1.803 17.271 19.000 0.124 0.000 0.832 39 A HN 0.698 nan 8.150 nan 0.000 0.443 40 Y N 1.355 121.684 120.300 0.047 0.000 2.069 40 Y HA -0.369 4.182 4.550 0.002 0.000 0.278 40 Y C 2.316 178.162 175.900 -0.090 0.000 1.175 40 Y CA 2.614 60.750 58.100 0.061 0.000 1.134 40 Y CB -0.566 38.021 38.460 0.212 0.000 0.965 40 Y HN 0.492 nan 8.280 nan 0.000 0.498 41 N N 0.256 118.868 118.700 -0.145 0.000 2.069 41 N HA -0.258 4.483 4.740 0.002 0.000 0.191 41 N C 1.983 177.410 175.510 -0.138 0.000 1.031 41 N CA 2.111 55.042 53.050 -0.199 0.000 0.852 41 N CB -0.421 37.845 38.487 -0.368 0.000 1.018 41 N HN 0.427 nan 8.380 nan 0.000 0.423 42 K N -0.474 119.758 120.400 -0.280 0.000 2.057 42 K HA -0.076 4.245 4.320 0.002 0.000 0.207 42 K C 1.877 178.384 176.600 -0.155 0.000 1.049 42 K CA 1.189 57.334 56.287 -0.237 0.000 0.931 42 K CB -0.261 32.039 32.500 -0.333 0.000 0.714 42 K HN 0.296 nan 8.250 nan 0.000 0.440 43 A N 1.181 123.877 122.820 -0.206 0.000 1.845 43 A HA -0.109 4.212 4.320 0.002 0.000 0.215 43 A C 2.356 179.855 177.584 -0.141 0.000 1.195 43 A CA 1.929 53.850 52.037 -0.194 0.000 0.616 43 A CB -1.014 17.914 19.000 -0.121 0.000 0.832 43 A HN 0.448 nan 8.150 nan 0.000 0.443 44 A N -0.770 121.850 122.820 -0.334 0.000 1.927 44 A HA -0.272 4.049 4.320 0.002 0.000 0.220 44 A C 1.954 179.408 177.584 -0.217 0.000 1.185 44 A CA 2.283 54.112 52.037 -0.346 0.000 0.639 44 A CB -1.058 17.561 19.000 -0.636 0.000 0.820 44 A HN 0.717 nan 8.150 nan 0.000 0.451 45 H N -2.171 116.809 119.070 -0.150 0.000 2.421 45 H HA -0.122 4.435 4.556 0.002 0.000 0.298 45 H C 2.030 177.311 175.328 -0.079 0.000 1.087 45 H CA 1.649 57.642 56.048 -0.092 0.000 1.330 45 H CB -0.166 29.542 29.762 -0.090 0.000 1.388 45 H HN 0.769 nan 8.280 nan 0.000 0.526 46 H N -0.194 118.790 119.070 -0.144 0.000 2.261 46 H HA -0.132 4.425 4.556 0.002 0.000 0.301 46 H C 1.320 176.476 175.328 -0.286 0.000 1.067 46 H CA 1.496 57.376 56.048 -0.281 0.000 1.297 46 H CB -0.282 29.156 29.762 -0.541 0.000 1.377 46 H HN 0.297 nan 8.280 nan 0.000 0.492 47 F N 0.981 120.807 119.950 -0.208 0.000 2.494 47 F HA -0.013 4.515 4.527 0.002 0.000 0.298 47 F C 2.598 178.278 175.800 -0.201 0.000 1.106 47 F CA 0.839 58.678 58.000 -0.268 0.000 1.452 47 F CB -0.413 38.467 39.000 -0.199 0.000 1.085 47 F HN 0.258 nan 8.300 nan 0.000 0.569 48 A N -0.965 121.834 122.820 -0.035 0.000 2.218 48 A HA 0.052 4.373 4.320 0.002 0.000 0.209 48 A C 1.095 178.645 177.584 -0.057 0.000 1.168 48 A CA -0.206 51.800 52.037 -0.051 0.000 0.804 48 A CB -0.454 18.487 19.000 -0.098 0.000 0.834 48 A HN 0.287 nan 8.150 nan 0.000 0.482 49 Q N 0.473 120.217 119.800 -0.094 0.000 2.395 49 Q HA 0.087 4.428 4.340 0.002 0.000 0.271 49 Q C -1.416 174.551 176.000 -0.055 0.000 1.026 49 Q CA -1.402 54.354 55.803 -0.077 0.000 0.900 49 Q CB 0.686 29.350 28.738 -0.123 0.000 1.266 49 Q HN 0.239 nan 8.270 nan 0.000 0.430 50 P HA -0.226 nan 4.420 nan 0.000 0.215 50 P C 0.935 178.227 177.300 -0.013 0.000 1.157 50 P CA 1.333 64.423 63.100 -0.017 0.000 0.863 50 P CB 0.117 31.812 31.700 -0.008 0.000 0.787 51 R N 0.002 120.492 120.500 -0.016 0.000 2.094 51 R HA -0.189 4.152 4.340 0.002 0.000 0.239 51 R C 2.570 178.870 176.300 -0.000 0.000 1.137 51 R CA 1.874 57.971 56.100 -0.005 0.000 0.943 51 R CB -0.489 29.807 30.300 -0.005 0.000 0.850 51 R HN 0.109 nan 8.270 nan 0.000 0.433 52 Q N 0.297 120.077 119.800 -0.033 0.000 2.030 52 Q HA -0.218 4.123 4.340 0.002 0.000 0.204 52 Q C 2.109 178.134 176.000 0.042 0.000 0.986 52 Q CA 1.431 57.230 55.803 -0.007 0.000 0.843 52 Q CB -0.459 28.190 28.738 -0.149 0.000 0.904 52 Q HN 0.479 nan 8.270 nan 0.000 0.420 53 Q N 0.499 120.306 119.800 0.012 0.000 2.152 53 Q HA -0.206 4.135 4.340 0.002 0.000 0.206 53 Q C 2.007 178.020 176.000 0.023 0.000 0.985 53 Q CA 1.903 57.716 55.803 0.018 0.000 0.863 53 Q CB -0.095 28.643 28.738 -0.000 0.000 0.904 53 Q HN 0.724 nan 8.270 nan 0.000 0.422 54 Q N -1.249 118.564 119.800 0.021 0.000 2.384 54 Q HA 0.077 4.418 4.340 0.002 0.000 0.207 54 Q C 1.598 177.618 176.000 0.035 0.000 0.904 54 Q CA 0.230 56.047 55.803 0.022 0.000 0.933 54 Q CB 0.261 29.008 28.738 0.014 0.000 1.077 54 Q HN 0.234 nan 8.270 nan 0.000 0.522 55 L N 0.133 121.387 121.223 0.051 0.000 2.590 55 L HA 0.288 4.629 4.340 0.002 0.000 0.227 55 L C 0.081 177.013 176.870 0.103 0.000 1.099 55 L CA -0.080 54.801 54.840 0.069 0.000 0.872 55 L CB 0.506 42.606 42.059 0.069 0.000 1.088 55 L HN 0.260 nan 8.230 nan 0.000 0.479 56 L N 1.694 122.986 121.223 0.115 0.000 2.264 56 L HA 0.276 4.617 4.340 0.002 0.000 0.287 56 L C -0.082 176.844 176.870 0.094 0.000 1.039 56 L CA -0.176 54.755 54.840 0.152 0.000 0.829 56 L CB 0.671 42.854 42.059 0.206 0.000 1.211 56 L HN -0.163 nan 8.230 nan 0.000 0.427 57 K N 5.170 125.623 120.400 0.088 0.000 2.220 57 K HA 0.487 4.808 4.320 0.002 0.000 0.283 57 K C -1.177 175.440 176.600 0.028 0.000 1.098 57 K CA -0.115 56.198 56.287 0.043 0.000 0.928 57 K CB 0.734 33.250 32.500 0.027 0.000 1.214 57 K HN 0.350 nan 8.250 nan 0.000 0.442 58 V N 1.119 121.036 119.914 0.005 0.000 2.817 58 V HA 0.052 4.173 4.120 0.002 0.000 0.303 58 V C -0.499 175.576 176.094 -0.032 0.000 1.151 58 V CA -1.463 60.826 62.300 -0.019 0.000 0.929 58 V CB 2.268 34.065 31.823 -0.042 0.000 1.030 58 V HN 0.615 nan 8.190 nan 0.000 0.427 59 D N 5.684 126.063 120.400 -0.036 0.000 2.434 59 D HA 0.205 4.846 4.640 0.002 0.000 0.252 59 D C -1.390 174.883 176.300 -0.045 0.000 1.185 59 D CA -0.852 53.126 54.000 -0.036 0.000 0.886 59 D CB 1.705 42.484 40.800 -0.036 0.000 1.148 59 D HN 0.248 nan 8.370 nan 0.000 0.483 60 P HA -0.258 nan 4.420 nan 0.000 0.220 60 P C 0.818 178.089 177.300 -0.048 0.000 1.155 60 P CA 1.817 64.890 63.100 -0.046 0.000 0.880 60 P CB 0.138 31.818 31.700 -0.033 0.000 0.790 61 K N -0.882 119.493 120.400 -0.042 0.000 2.097 61 K HA -0.078 4.244 4.320 0.002 0.000 0.205 61 K C 2.174 178.746 176.600 -0.047 0.000 1.050 61 K CA 1.109 57.371 56.287 -0.041 0.000 0.938 61 K CB -0.176 32.302 32.500 -0.037 0.000 0.718 61 K HN 0.166 nan 8.250 nan 0.000 0.442 62 R N 0.363 120.832 120.500 -0.052 0.000 2.119 62 R HA -0.052 4.289 4.340 0.002 0.000 0.222 62 R C 2.267 178.522 176.300 -0.075 0.000 1.088 62 R CA 0.556 56.622 56.100 -0.057 0.000 0.984 62 R CB -0.328 29.939 30.300 -0.054 0.000 0.884 62 R HN 0.088 nan 8.270 nan 0.000 0.447 63 L N 1.552 122.717 121.223 -0.097 0.000 2.027 63 L HA -0.168 4.173 4.340 0.002 0.000 0.206 63 L C 2.487 179.274 176.870 -0.140 0.000 1.074 63 L CA 1.837 56.578 54.840 -0.163 0.000 0.745 63 L CB -0.538 41.405 42.059 -0.194 0.000 0.898 63 L HN 0.020 nan 8.230 nan 0.000 0.433 64 Q N 0.003 119.755 119.800 -0.080 0.000 2.030 64 Q HA -0.183 4.158 4.340 0.002 0.000 0.204 64 Q C 2.149 178.147 176.000 -0.003 0.000 0.986 64 Q CA 2.532 58.321 55.803 -0.024 0.000 0.843 64 Q CB -0.611 28.118 28.738 -0.014 0.000 0.904 64 Q HN 0.592 nan 8.270 nan 0.000 0.420 65 A N -0.610 122.197 122.820 -0.023 0.000 1.902 65 A HA -0.152 4.169 4.320 0.002 0.000 0.217 65 A C 2.362 179.953 177.584 0.011 0.000 1.181 65 A CA 1.795 53.827 52.037 -0.009 0.000 0.623 65 A CB -0.872 18.111 19.000 -0.029 0.000 0.818 65 A HN 0.436 nan 8.150 nan 0.000 0.443 66 S N -0.490 115.198 115.700 -0.021 0.000 2.356 66 S HA -0.159 4.312 4.470 0.002 0.000 0.223 66 S C 1.894 176.499 174.600 0.008 0.000 1.032 66 S CA 1.511 59.703 58.200 -0.015 0.000 1.005 66 S CB -0.484 62.677 63.200 -0.065 0.000 0.867 66 S HN 0.525 nan 8.310 nan 0.000 0.449 67 L N 1.904 123.106 121.223 -0.035 0.000 2.079 67 L HA -0.161 4.180 4.340 0.002 0.000 0.210 67 L C 2.167 179.138 176.870 0.168 0.000 1.081 67 L CA 1.773 56.617 54.840 0.007 0.000 0.752 67 L CB -0.791 41.234 42.059 -0.057 0.000 0.896 67 L HN 0.310 nan 8.230 nan 0.000 0.433 68 Q N -1.375 118.552 119.800 0.213 0.000 2.016 68 Q HA -0.177 4.164 4.340 0.002 0.000 0.200 68 Q C 2.093 178.299 176.000 0.343 0.000 0.978 68 Q CA 2.106 58.118 55.803 0.349 0.000 0.833 68 Q CB -0.423 28.431 28.738 0.192 0.000 0.895 68 Q HN 0.502 nan 8.270 nan 0.000 0.427 69 T N 1.543 116.243 114.554 0.244 0.000 2.699 69 T HA -0.157 4.194 4.350 0.002 0.000 0.268 69 T C 1.822 176.701 174.700 0.299 0.000 1.036 69 T CA 0.998 63.293 62.100 0.325 0.000 1.147 69 T CB -0.102 68.919 68.868 0.255 0.000 0.862 69 T HN 0.141 nan 8.240 nan 0.000 0.446 70 I N 0.809 121.468 120.570 0.148 0.000 2.133 70 I HA -0.101 4.071 4.170 0.002 0.000 0.238 70 I C 2.605 178.679 176.117 -0.071 0.000 1.074 70 I CA 1.039 62.340 61.300 0.001 0.000 1.342 70 I CB -1.477 36.541 38.000 0.029 0.000 1.053 70 I HN 0.118 nan 8.210 nan 0.000 0.404 71 V N 1.560 121.506 119.914 0.053 0.000 2.317 71 V HA -0.284 3.837 4.120 0.002 0.000 0.251 71 V C 2.696 178.709 176.094 -0.135 0.000 1.065 71 V CA 2.231 64.552 62.300 0.036 0.000 1.049 71 V CB -1.648 30.328 31.823 0.257 0.000 0.651 71 V HN 0.564 nan 8.190 nan 0.000 0.450 72 G N -1.132 107.573 108.800 -0.158 0.000 2.459 72 G HA2 -0.346 3.615 3.960 0.002 0.000 0.217 72 G HA3 -0.346 3.615 3.960 0.002 0.000 0.217 72 G C 1.629 176.124 174.900 -0.674 0.000 1.183 72 G CA 1.207 46.060 45.100 -0.411 0.000 0.776 72 G HN 0.445 nan 8.290 nan 0.000 0.552 73 M N 0.254 119.226 119.600 -1.046 0.000 2.080 73 M HA -0.096 4.385 4.480 0.002 0.000 0.260 73 M C 2.540 178.584 176.300 -0.427 0.000 1.068 73 M CA 1.540 55.899 55.300 -1.569 0.000 1.109 73 M CB -0.210 31.266 32.600 -1.875 0.000 1.342 73 M HN 0.130 nan 8.290 nan 0.000 0.405 74 V N 0.010 119.773 119.914 -0.252 0.000 2.244 74 V HA -0.249 3.872 4.120 0.002 0.000 0.244 74 V C 2.431 178.657 176.094 0.220 0.000 1.042 74 V CA 1.793 64.071 62.300 -0.036 0.000 1.006 74 V CB -0.650 31.009 31.823 -0.274 0.000 0.641 74 V HN 0.411 nan 8.190 nan 0.000 0.446 75 V N -1.045 118.932 119.914 0.105 0.000 2.380 75 V HA -0.296 3.825 4.120 0.002 0.000 0.251 75 V C 2.235 178.514 176.094 0.308 0.000 1.063 75 V CA 2.085 64.513 62.300 0.215 0.000 1.055 75 V CB -0.837 31.069 31.823 0.139 0.000 0.657 75 V HN 0.559 nan 8.190 nan 0.000 0.455 76 Y N -0.090 120.179 120.300 -0.052 0.000 2.516 76 Y HA 0.011 4.562 4.550 0.002 0.000 0.291 76 Y C 2.564 178.489 175.900 0.042 0.000 1.131 76 Y CA 0.820 58.864 58.100 -0.093 0.000 1.281 76 Y CB -0.164 38.250 38.460 -0.076 0.000 1.013 76 Y HN 0.232 nan 8.280 nan 0.000 0.554 77 S N -2.930 112.968 115.700 0.331 0.000 2.539 77 S HA 0.028 4.499 4.470 0.002 0.000 0.226 77 S C 0.847 175.635 174.600 0.315 0.000 1.054 77 S CA -0.281 58.065 58.200 0.243 0.000 0.910 77 S CB 0.108 63.380 63.200 0.121 0.000 0.818 77 S HN 0.446 nan 8.310 nan 0.000 0.490 78 W N 2.447 123.870 121.300 0.204 0.000 3.121 78 W HA 0.433 5.094 4.660 0.002 0.000 0.441 78 W C 1.623 178.232 176.519 0.150 0.000 0.878 78 W CA -0.371 57.062 57.345 0.145 0.000 2.101 78 W CB -0.365 29.157 29.460 0.104 0.000 1.067 78 W HN 0.338 nan 8.180 nan 0.000 0.834 79 A N 0.919 123.962 122.820 0.372 0.000 2.023 79 A HA -0.268 4.054 4.320 0.002 0.000 0.223 79 A C 2.005 179.688 177.584 0.165 0.000 1.180 79 A CA 1.674 53.952 52.037 0.402 0.000 0.659 79 A CB -0.136 19.130 19.000 0.443 0.000 0.817 79 A HN 0.057 nan 8.150 nan 0.000 0.466 80 K N -0.494 119.986 120.400 0.133 0.000 2.374 80 K HA 0.177 4.498 4.320 0.002 0.000 0.196 80 K C 0.640 177.301 176.600 0.102 0.000 1.023 80 K CA 0.569 56.903 56.287 0.079 0.000 1.103 80 K CB -0.450 32.103 32.500 0.087 0.000 0.848 80 K HN 0.565 nan 8.250 nan 0.000 0.528 81 V N -0.775 119.229 119.914 0.151 0.000 3.134 81 V HA 0.399 4.520 4.120 0.002 0.000 0.313 81 V C 0.782 176.926 176.094 0.083 0.000 1.069 81 V CA -1.090 61.293 62.300 0.138 0.000 1.048 81 V CB 1.384 33.321 31.823 0.190 0.000 1.119 81 V HN 0.212 nan 8.190 nan 0.000 0.461 82 S N 1.446 117.184 115.700 0.063 0.000 2.596 82 S HA 0.229 4.700 4.470 0.002 0.000 0.260 82 S C 0.844 175.459 174.600 0.025 0.000 1.336 82 S CA 0.201 58.415 58.200 0.024 0.000 0.993 82 S CB 0.356 63.572 63.200 0.027 0.000 0.923 82 S HN 0.814 nan 8.310 nan 0.000 0.567 83 K N 0.423 120.787 120.400 -0.059 0.000 2.026 83 K HA -0.087 4.235 4.320 0.002 0.000 0.208 83 K C 2.275 178.954 176.600 0.132 0.000 1.048 83 K CA 1.423 57.650 56.287 -0.099 0.000 0.929 83 K CB -0.244 31.879 32.500 -0.629 0.000 0.713 83 K HN 0.605 nan 8.250 nan 0.000 0.439 84 E N 0.651 120.944 120.200 0.156 0.000 2.058 84 E HA -0.239 4.112 4.350 0.002 0.000 0.194 84 E C 2.180 178.886 176.600 0.176 0.000 0.997 84 E CA 0.884 57.465 56.400 0.300 0.000 0.801 84 E CB -0.611 29.257 29.700 0.281 0.000 0.746 84 E HN 0.298 nan 8.360 nan 0.000 0.450 85 C N 0.837 120.208 119.300 0.118 0.000 2.398 85 C HA -0.176 4.286 4.460 0.002 0.000 0.276 85 C C 2.842 177.734 174.990 -0.163 0.000 1.222 85 C CA 1.141 60.023 59.018 -0.227 0.000 1.746 85 C CB -0.990 26.714 27.740 -0.059 0.000 2.039 85 C HN 0.421 nan 8.230 nan 0.000 0.470 86 M N 0.832 120.420 119.600 -0.020 0.000 2.117 86 M HA -0.089 4.392 4.480 0.002 0.000 0.262 86 M C 2.504 178.788 176.300 -0.027 0.000 1.065 86 M CA 2.027 57.314 55.300 -0.022 0.000 1.114 86 M CB -0.768 31.884 32.600 0.087 0.000 1.361 86 M HN 0.491 nan 8.290 nan 0.000 0.408 87 A N 1.059 123.909 122.820 0.050 0.000 1.851 87 A HA -0.199 4.122 4.320 0.002 0.000 0.216 87 A C 1.844 179.391 177.584 -0.062 0.000 1.195 87 A CA 2.124 54.168 52.037 0.012 0.000 0.622 87 A CB -0.876 18.153 19.000 0.049 0.000 0.831 87 A HN 0.421 nan 8.150 nan 0.000 0.444 88 D N -0.014 120.340 120.400 -0.077 0.000 2.144 88 D HA -0.110 4.531 4.640 0.002 0.000 0.199 88 D C 1.938 178.185 176.300 -0.089 0.000 0.984 88 D CA 1.041 54.995 54.000 -0.077 0.000 0.834 88 D CB -0.328 40.395 40.800 -0.128 0.000 0.955 88 D HN 0.447 nan 8.370 nan 0.000 0.465 89 L N 0.634 121.754 121.223 -0.171 0.000 2.201 89 L HA -0.099 4.242 4.340 0.002 0.000 0.212 89 L C 2.447 179.257 176.870 -0.099 0.000 1.105 89 L CA 0.565 55.278 54.840 -0.211 0.000 0.775 89 L CB -0.177 41.687 42.059 -0.325 0.000 0.913 89 L HN -0.078 nan 8.230 nan 0.000 0.440 90 S N 0.048 115.699 115.700 -0.081 0.000 2.402 90 S HA -0.081 4.390 4.470 0.002 0.000 0.229 90 S C 1.929 176.518 174.600 -0.018 0.000 1.021 90 S CA 1.053 59.238 58.200 -0.025 0.000 0.974 90 S CB -0.113 63.073 63.200 -0.024 0.000 0.800 90 S HN 0.301 nan 8.310 nan 0.000 0.484 91 I N 0.387 120.887 120.570 -0.116 0.000 2.286 91 I HA -0.159 4.012 4.170 0.002 0.000 0.245 91 I C 2.410 178.377 176.117 -0.250 0.000 1.104 91 I CA 1.367 62.494 61.300 -0.287 0.000 1.397 91 I CB -0.308 37.275 38.000 -0.695 0.000 1.072 91 I HN 0.307 nan 8.210 nan 0.000 0.417 92 H N -0.051 118.856 119.070 -0.272 0.000 2.389 92 H HA -0.173 4.384 4.556 0.002 0.000 0.299 92 H C 1.795 176.991 175.328 -0.221 0.000 1.081 92 H CA 1.853 57.747 56.048 -0.257 0.000 1.345 92 H CB 0.038 29.555 29.762 -0.408 0.000 1.393 92 H HN 0.240 nan 8.280 nan 0.000 0.520 93 Y N -0.653 119.620 120.300 -0.044 0.000 2.457 93 Y HA -0.026 4.525 4.550 0.002 0.000 0.292 93 Y C 2.560 178.406 175.900 -0.089 0.000 1.125 93 Y CA 1.242 59.279 58.100 -0.105 0.000 1.254 93 Y CB -0.257 38.132 38.460 -0.118 0.000 1.012 93 Y HN 0.231 nan 8.280 nan 0.000 0.555 94 T N -1.008 113.582 114.554 0.060 0.000 2.896 94 T HA -0.144 4.207 4.350 0.002 0.000 0.263 94 T C 1.422 176.114 174.700 -0.014 0.000 1.050 94 T CA 1.087 63.172 62.100 -0.025 0.000 1.140 94 T CB -0.444 68.359 68.868 -0.108 0.000 0.877 94 T HN 0.173 nan 8.240 nan 0.000 0.457 95 Y N 2.519 122.843 120.300 0.039 0.000 2.070 95 Y HA -0.218 4.333 4.550 0.002 0.000 0.280 95 Y C 3.104 179.186 175.900 0.304 0.000 1.148 95 Y CA 1.477 59.630 58.100 0.088 0.000 1.125 95 Y CB -1.447 36.892 38.460 -0.202 0.000 0.975 95 Y HN 0.343 nan 8.280 nan 0.000 0.492 96 T N -0.962 113.787 114.554 0.325 0.000 2.635 96 T HA -0.294 4.057 4.350 0.002 0.000 0.267 96 T C 1.959 176.797 174.700 0.229 0.000 1.040 96 T CA 1.602 63.844 62.100 0.238 0.000 1.156 96 T CB -1.107 67.497 68.868 -0.440 0.000 0.863 96 T HN 0.241 nan 8.240 nan 0.000 0.430 97 L N 0.956 122.252 121.223 0.122 0.000 2.079 97 L HA 0.071 4.412 4.340 0.002 0.000 0.210 97 L C 2.620 179.556 176.870 0.111 0.000 1.081 97 L CA 1.257 56.169 54.840 0.121 0.000 0.752 97 L CB -0.833 41.270 42.059 0.074 0.000 0.896 97 L HN 0.198 nan 8.230 nan 0.000 0.433 98 V N -0.597 119.388 119.914 0.118 0.000 2.626 98 V HA -0.213 3.908 4.120 0.002 0.000 0.252 98 V C 2.389 178.527 176.094 0.073 0.000 1.067 98 V CA 1.429 63.779 62.300 0.084 0.000 1.081 98 V CB -0.240 31.631 31.823 0.080 0.000 0.686 98 V HN 0.511 nan 8.190 nan 0.000 0.468 99 L N -0.065 121.190 121.223 0.054 0.000 2.362 99 L HA -0.098 4.243 4.340 0.002 0.000 0.219 99 L C 1.850 178.591 176.870 -0.215 0.000 1.134 99 L CA 1.748 56.443 54.840 -0.243 0.000 0.807 99 L CB -0.582 41.031 42.059 -0.743 0.000 0.927 99 L HN 0.346 nan 8.230 nan 0.000 0.447 100 D N -0.669 119.677 120.400 -0.090 0.000 2.347 100 D HA -0.111 4.530 4.640 0.002 0.000 0.215 100 D C 1.067 177.317 176.300 -0.083 0.000 0.976 100 D CA 0.645 54.587 54.000 -0.096 0.000 0.884 100 D CB 0.147 40.934 40.800 -0.022 0.000 0.915 100 D HN 0.420 nan 8.370 nan 0.000 0.526 101 D N -0.014 120.348 120.400 -0.064 0.000 2.323 101 D HA -0.036 4.605 4.640 0.002 0.000 0.209 101 D C 0.667 176.927 176.300 -0.067 0.000 0.973 101 D CA 0.364 54.331 54.000 -0.055 0.000 0.874 101 D CB 0.107 40.886 40.800 -0.036 0.000 0.930 101 D HN -0.102 nan 8.370 nan 0.000 0.521 102 S N 0.313 115.960 115.700 -0.089 0.000 2.505 102 S HA 0.103 4.574 4.470 0.002 0.000 0.276 102 S C 0.884 175.412 174.600 -0.119 0.000 1.274 102 S CA -0.342 57.802 58.200 -0.093 0.000 1.053 102 S CB 0.940 64.083 63.200 -0.095 0.000 0.919 102 S HN 0.074 nan 8.310 nan 0.000 0.490 103 K N 3.126 123.465 120.400 -0.102 0.000 2.373 103 K HA 0.135 4.456 4.320 0.002 0.000 0.200 103 K C -0.694 175.834 176.600 -0.119 0.000 1.054 103 K CA -0.218 56.004 56.287 -0.109 0.000 1.065 103 K CB 0.141 32.588 32.500 -0.088 0.000 0.886 103 K HN 0.536 nan 8.250 nan 0.000 0.546 104 D N 2.488 122.819 120.400 -0.114 0.000 2.458 104 D HA -0.059 4.582 4.640 0.002 0.000 0.243 104 D C -0.367 175.842 176.300 -0.151 0.000 1.146 104 D CA 0.334 54.263 54.000 -0.119 0.000 0.877 104 D CB 0.790 41.519 40.800 -0.119 0.000 1.176 104 D HN 0.133 nan 8.370 nan 0.000 0.461 105 D N 2.432 122.753 120.400 -0.131 0.000 2.434 105 D HA 0.007 4.648 4.640 0.002 0.000 0.252 105 D C -1.680 174.506 176.300 -0.191 0.000 1.185 105 D CA -1.453 52.465 54.000 -0.137 0.000 0.886 105 D CB 1.144 41.921 40.800 -0.039 0.000 1.148 105 D HN 0.073 nan 8.370 nan 0.000 0.483 106 P HA -0.092 nan 4.420 nan 0.000 0.223 106 P C 1.042 178.120 177.300 -0.369 0.000 1.151 106 P CA 0.460 63.223 63.100 -0.562 0.000 0.787 106 P CB 0.035 30.855 31.700 -1.466 0.000 0.788 107 Y N 1.922 122.051 120.300 -0.285 0.000 2.002 107 Y HA -0.242 4.309 4.550 0.002 0.000 0.268 107 Y C -0.678 175.280 175.900 0.098 0.000 1.177 107 Y CA 2.670 60.828 58.100 0.096 0.000 1.111 107 Y CB -1.950 36.641 38.460 0.218 0.000 0.952 107 Y HN 0.081 nan 8.280 nan 0.000 0.491 108 P HA -0.170 nan 4.420 nan 0.000 0.216 108 P C 1.533 178.912 177.300 0.131 0.000 1.150 108 P CA 2.926 66.164 63.100 0.231 0.000 0.843 108 P CB -0.353 31.438 31.700 0.152 0.000 0.787 109 T N -5.466 109.151 114.554 0.106 0.000 3.054 109 T HA 0.075 4.426 4.350 0.002 0.000 0.259 109 T C 1.565 176.378 174.700 0.189 0.000 1.092 109 T CA 0.618 62.800 62.100 0.138 0.000 1.121 109 T CB -0.565 68.392 68.868 0.148 0.000 0.912 109 T HN -0.138 nan 8.240 nan 0.000 0.489 110 M N 1.227 120.917 119.600 0.149 0.000 2.556 110 M HA 0.289 4.770 4.480 0.002 0.000 0.245 110 M C 2.073 178.474 176.300 0.169 0.000 1.128 110 M CA -0.077 55.340 55.300 0.195 0.000 1.069 110 M CB -0.750 31.966 32.600 0.193 0.000 1.469 110 M HN 0.177 nan 8.290 nan 0.000 0.494 111 V N 1.464 121.423 119.914 0.074 0.000 2.380 111 V HA -0.246 3.875 4.120 0.002 0.000 0.251 111 V C 1.400 177.559 176.094 0.108 0.000 1.063 111 V CA 1.478 63.804 62.300 0.043 0.000 1.055 111 V CB -0.472 31.384 31.823 0.054 0.000 0.657 111 V HN 0.502 nan 8.190 nan 0.000 0.455 112 N N -1.594 117.184 118.700 0.131 0.000 2.328 112 N HA 0.092 4.833 4.740 0.002 0.000 0.247 112 N C 0.983 176.569 175.510 0.128 0.000 1.165 112 N CA -0.140 52.981 53.050 0.118 0.000 0.873 112 N CB 0.400 38.934 38.487 0.078 0.000 1.125 112 N HN 0.542 nan 8.380 nan 0.000 0.513 113 Y N 1.249 121.589 120.300 0.066 0.000 2.030 113 Y HA -0.288 4.264 4.550 0.002 0.000 0.274 113 Y C 2.005 177.906 175.900 0.002 0.000 1.153 113 Y CA 1.758 59.869 58.100 0.019 0.000 1.115 113 Y CB -0.686 37.805 38.460 0.051 0.000 0.969 113 Y HN 0.086 nan 8.280 nan 0.000 0.488 114 F N 1.083 120.898 119.950 -0.225 0.000 2.171 114 F HA -0.218 4.310 4.527 0.002 0.000 0.300 114 F C 2.176 177.838 175.800 -0.230 0.000 1.090 114 F CA 2.200 60.015 58.000 -0.308 0.000 1.293 114 F CB -0.380 38.572 39.000 -0.079 0.000 1.013 114 F HN 0.195 nan 8.300 nan 0.000 0.486 115 D N -0.140 120.264 120.400 0.007 0.000 2.123 115 D HA -0.161 4.480 4.640 0.002 0.000 0.200 115 D C 1.658 177.854 176.300 -0.173 0.000 0.976 115 D CA 1.359 55.334 54.000 -0.043 0.000 0.831 115 D CB -0.276 40.560 40.800 0.061 0.000 0.974 115 D HN 0.369 nan 8.370 nan 0.000 0.469 116 D N 0.892 121.188 120.400 -0.173 0.000 2.117 116 D HA -0.105 4.536 4.640 0.002 0.000 0.198 116 D C 2.279 178.412 176.300 -0.279 0.000 0.982 116 D CA 0.241 54.137 54.000 -0.172 0.000 0.828 116 D CB -0.197 40.533 40.800 -0.117 0.000 0.967 116 D HN 0.123 nan 8.370 nan 0.000 0.464 117 L N 1.061 122.010 121.223 -0.456 0.000 1.970 117 L HA -0.252 4.089 4.340 0.002 0.000 0.212 117 L C 2.384 178.959 176.870 -0.491 0.000 1.071 117 L CA 1.846 56.353 54.840 -0.555 0.000 0.751 117 L CB -0.569 40.971 42.059 -0.866 0.000 0.889 117 L HN -0.109 nan 8.230 nan 0.000 0.432 118 Q N -0.635 118.785 119.800 -0.634 0.000 2.291 118 Q HA -0.111 4.230 4.340 0.002 0.000 0.206 118 Q C 1.811 177.650 176.000 -0.269 0.000 0.976 118 Q CA 1.684 57.189 55.803 -0.496 0.000 0.875 118 Q CB -0.219 28.169 28.738 -0.585 0.000 0.927 118 Q HN 0.622 nan 8.270 nan 0.000 0.450 119 A N -1.143 121.539 122.820 -0.230 0.000 2.132 119 A HA 0.413 4.735 4.320 0.002 0.000 0.213 119 A C 1.535 179.044 177.584 -0.125 0.000 1.154 119 A CA 0.666 52.619 52.037 -0.140 0.000 0.753 119 A CB -0.353 18.584 19.000 -0.105 0.000 0.826 119 A HN 0.656 nan 8.150 nan 0.000 0.469 120 G N -0.625 108.082 108.800 -0.156 0.000 2.137 120 G HA2 -0.229 3.732 3.960 0.002 0.000 0.237 120 G HA3 -0.229 3.732 3.960 0.002 0.000 0.237 120 G C 0.126 174.968 174.900 -0.095 0.000 1.002 120 G CA 0.192 45.218 45.100 -0.123 0.000 0.702 120 G HN 0.590 nan 8.290 nan 0.000 0.515 121 R N 0.288 120.727 120.500 -0.101 0.000 2.428 121 R HA 0.427 4.769 4.340 0.002 0.000 0.294 121 R C 0.538 176.801 176.300 -0.062 0.000 1.000 121 R CA -0.659 55.401 56.100 -0.067 0.000 0.960 121 R CB 1.134 31.401 30.300 -0.056 0.000 1.076 121 R HN 0.481 nan 8.270 nan 0.000 0.475 122 E N 2.568 122.750 120.200 -0.030 0.000 2.529 122 E HA -0.124 4.227 4.350 0.002 0.000 0.259 122 E C -0.319 176.287 176.600 0.010 0.000 0.966 122 E CA -0.054 56.342 56.400 -0.008 0.000 0.937 122 E CB 0.698 30.405 29.700 0.012 0.000 0.923 122 E HN 0.199 nan 8.360 nan 0.000 0.468 123 Q N 2.188 122.009 119.800 0.034 0.000 2.474 123 Q HA 0.011 4.352 4.340 0.002 0.000 0.256 123 Q C 0.579 176.662 176.000 0.138 0.000 1.048 123 Q CA 0.672 56.530 55.803 0.092 0.000 0.922 123 Q CB 1.241 30.081 28.738 0.171 0.000 1.288 123 Q HN 0.751 nan 8.270 nan 0.000 0.484 124 A N 2.242 125.161 122.820 0.166 0.000 1.855 124 A HA -0.109 4.212 4.320 0.002 0.000 0.213 124 A C 0.832 178.529 177.584 0.189 0.000 1.195 124 A CA 0.723 52.849 52.037 0.147 0.000 0.610 124 A CB -0.438 18.642 19.000 0.133 0.000 0.837 124 A HN 0.725 nan 8.150 nan 0.000 0.444 125 H N 1.956 121.149 119.070 0.205 0.000 3.091 125 H HA 0.089 4.646 4.556 0.002 0.000 0.289 125 H C -1.499 173.968 175.328 0.232 0.000 0.995 125 H CA -1.611 54.573 56.048 0.226 0.000 1.461 125 H CB 1.031 30.983 29.762 0.316 0.000 1.510 125 H HN 0.176 nan 8.280 nan 0.000 0.546 126 P HA -0.212 nan 4.420 nan 0.000 0.216 126 P C 1.691 179.188 177.300 0.328 0.000 1.150 126 P CA 1.189 64.450 63.100 0.267 0.000 0.843 126 P CB -0.104 31.688 31.700 0.154 0.000 0.787 127 W N -0.204 121.289 121.300 0.323 0.000 2.338 127 W HA -0.119 4.542 4.660 0.002 0.000 0.304 127 W C 2.424 178.876 176.519 -0.113 0.000 1.212 127 W CA 1.418 58.759 57.345 -0.007 0.000 1.264 127 W CB -1.126 28.222 29.460 -0.187 0.000 1.142 127 W HN -0.080 nan 8.180 nan 0.000 0.512 128 W N -0.123 121.275 121.300 0.163 0.000 2.379 128 W HA -0.167 4.494 4.660 0.002 0.000 0.307 128 W C 2.657 179.097 176.519 -0.132 0.000 1.200 128 W CA 1.473 58.786 57.345 -0.054 0.000 1.297 128 W CB -0.824 28.644 29.460 0.014 0.000 1.140 128 W HN -0.072 nan 8.180 nan 0.000 0.507 129 A N 0.284 123.238 122.820 0.223 0.000 1.917 129 A HA -0.231 4.090 4.320 0.002 0.000 0.219 129 A C 1.889 179.467 177.584 -0.010 0.000 1.182 129 A CA 1.752 53.848 52.037 0.098 0.000 0.633 129 A CB -1.045 18.016 19.000 0.100 0.000 0.819 129 A HN 0.320 nan 8.150 nan 0.000 0.448 130 L N -0.952 120.197 121.223 -0.124 0.000 2.023 130 L HA -0.117 4.224 4.340 0.002 0.000 0.205 130 L C 2.568 179.176 176.870 -0.436 0.000 1.073 130 L CA 1.021 55.717 54.840 -0.241 0.000 0.745 130 L CB -0.660 41.206 42.059 -0.322 0.000 0.900 130 L HN 0.239 nan 8.230 nan 0.000 0.435 131 V N 0.276 119.705 119.914 -0.808 0.000 2.287 131 V HA -0.287 3.834 4.120 0.002 0.000 0.248 131 V C 2.153 178.105 176.094 -0.237 0.000 1.053 131 V CA 1.946 63.742 62.300 -0.839 0.000 1.027 131 V CB -0.690 30.343 31.823 -1.317 0.000 0.646 131 V HN 0.469 nan 8.190 nan 0.000 0.447 132 N N -0.280 118.418 118.700 -0.004 0.000 2.396 132 N HA -0.140 4.601 4.740 0.002 0.000 0.180 132 N C 1.870 177.455 175.510 0.124 0.000 1.028 132 N CA 1.169 54.316 53.050 0.161 0.000 0.893 132 N CB -0.163 38.392 38.487 0.114 0.000 0.967 132 N HN 0.702 nan 8.380 nan 0.000 0.440 133 E N -0.631 119.608 120.200 0.065 0.000 2.230 133 E HA -0.159 4.192 4.350 0.002 0.000 0.192 133 E C 1.589 178.258 176.600 0.114 0.000 0.987 133 E CA 0.609 57.052 56.400 0.073 0.000 0.841 133 E CB 0.007 29.740 29.700 0.055 0.000 0.783 133 E HN 0.426 nan 8.360 nan 0.000 0.481 134 H N -0.597 118.496 119.070 0.038 0.000 2.497 134 H HA -0.041 4.516 4.556 0.002 0.000 0.282 134 H C 1.605 177.001 175.328 0.113 0.000 1.003 134 H CA 0.401 56.486 56.048 0.063 0.000 1.307 134 H CB -0.046 29.768 29.762 0.086 0.000 1.437 134 H HN 0.166 nan 8.280 nan 0.000 0.544 135 F N 1.990 121.975 119.950 0.058 0.000 2.085 135 F HA -0.138 4.391 4.527 0.002 0.000 0.299 135 F C -0.739 175.001 175.800 -0.100 0.000 1.096 135 F CA 1.103 59.102 58.000 -0.002 0.000 1.227 135 F CB -1.523 37.492 39.000 0.025 0.000 0.983 135 F HN 0.296 nan 8.300 nan 0.000 0.482 136 P HA -0.223 nan 4.420 nan 0.000 0.216 136 P C 1.516 178.806 177.300 -0.017 0.000 1.150 136 P CA 1.876 64.980 63.100 0.007 0.000 0.843 136 P CB -0.239 31.453 31.700 -0.012 0.000 0.787 137 N N -0.690 117.932 118.700 -0.131 0.000 2.430 137 N HA -0.112 4.629 4.740 0.002 0.000 0.186 137 N C 1.122 176.608 175.510 -0.040 0.000 1.032 137 N CA 0.875 53.810 53.050 -0.192 0.000 0.893 137 N CB 0.088 38.228 38.487 -0.577 0.000 0.957 137 N HN 0.032 nan 8.380 nan 0.000 0.442 138 V N 0.450 120.379 119.914 0.027 0.000 2.690 138 V HA -0.002 4.119 4.120 0.002 0.000 0.240 138 V C 2.153 178.437 176.094 0.317 0.000 1.078 138 V CA 0.349 62.737 62.300 0.147 0.000 1.102 138 V CB -0.114 31.784 31.823 0.124 0.000 0.800 138 V HN 0.169 nan 8.190 nan 0.000 0.479 139 L N 1.281 122.626 121.223 0.203 0.000 2.191 139 L HA -0.155 4.186 4.340 0.002 0.000 0.212 139 L C 2.712 179.726 176.870 0.240 0.000 1.103 139 L CA 1.675 56.628 54.840 0.189 0.000 0.769 139 L CB -0.744 41.272 42.059 -0.072 0.000 0.908 139 L HN 0.461 nan 8.230 nan 0.000 0.438 140 R N -0.645 119.947 120.500 0.153 0.000 2.249 140 R HA -0.166 4.175 4.340 0.002 0.000 0.230 140 R C 1.570 177.845 176.300 -0.042 0.000 1.121 140 R CA 1.302 57.422 56.100 0.034 0.000 0.997 140 R CB -0.718 29.556 30.300 -0.043 0.000 0.867 140 R HN 0.521 nan 8.270 nan 0.000 0.465 141 H N -0.661 118.358 119.070 -0.085 0.000 2.548 141 H HA 0.130 4.688 4.556 0.002 0.000 0.268 141 H C -0.177 174.769 175.328 -0.637 0.000 0.975 141 H CA 0.383 56.189 56.048 -0.403 0.000 1.195 141 H CB 0.178 29.554 29.762 -0.644 0.000 1.397 141 H HN 0.113 nan 8.280 nan 0.000 0.572 142 F N -0.417 119.614 119.950 0.134 0.000 2.618 142 F HA 0.501 5.030 4.527 0.002 0.000 0.332 142 F C 1.112 176.959 175.800 0.078 0.000 1.061 142 F CA -1.066 57.002 58.000 0.112 0.000 0.974 142 F CB 0.672 39.727 39.000 0.091 0.000 1.310 142 F HN -0.160 nan 8.300 nan 0.000 0.491 143 G N 0.409 109.393 108.800 0.308 0.000 2.588 143 G HA2 0.379 4.340 3.960 0.002 0.000 0.281 143 G HA3 0.379 4.340 3.960 0.002 0.000 0.281 143 G C -1.890 173.121 174.900 0.186 0.000 1.236 143 G CA -1.191 44.033 45.100 0.208 0.000 0.969 143 G HN 0.412 nan 8.290 nan 0.000 0.504 144 P HA -0.199 nan 4.420 nan 0.000 0.214 144 P C 1.689 179.072 177.300 0.139 0.000 1.163 144 P CA 1.031 64.203 63.100 0.120 0.000 0.883 144 P CB 0.013 31.785 31.700 0.119 0.000 0.788 145 F N 1.185 121.181 119.950 0.076 0.000 2.025 145 F HA -0.265 4.263 4.527 0.002 0.000 0.297 145 F C 2.456 178.259 175.800 0.006 0.000 1.132 145 F CA 1.653 59.688 58.000 0.058 0.000 1.191 145 F CB -1.338 37.703 39.000 0.069 0.000 0.963 145 F HN -0.019 nan 8.300 nan 0.000 0.481 146 C N -0.115 119.209 119.300 0.040 0.000 2.396 146 C HA -0.222 4.239 4.460 0.002 0.000 0.277 146 C C 3.069 177.925 174.990 -0.224 0.000 1.231 146 C CA 1.560 60.522 59.018 -0.094 0.000 1.775 146 C CB -1.586 26.248 27.740 0.156 0.000 2.036 146 C HN 0.609 nan 8.230 nan 0.000 0.484 147 S N 0.469 116.093 115.700 -0.127 0.000 2.368 147 S HA -0.151 4.320 4.470 0.002 0.000 0.225 147 S C 1.711 176.166 174.600 -0.242 0.000 1.030 147 S CA 1.272 59.355 58.200 -0.195 0.000 0.999 147 S CB -0.470 62.664 63.200 -0.110 0.000 0.844 147 S HN 0.544 nan 8.310 nan 0.000 0.459 148 L N 3.047 124.142 121.223 -0.213 0.000 2.013 148 L HA -0.152 4.189 4.340 0.002 0.000 0.212 148 L C 1.830 178.583 176.870 -0.196 0.000 1.073 148 L CA 1.741 56.467 54.840 -0.190 0.000 0.753 148 L CB -0.906 41.047 42.059 -0.178 0.000 0.890 148 L HN 0.266 nan 8.230 nan 0.000 0.432 149 N N -0.624 117.895 118.700 -0.302 0.000 2.069 149 N HA -0.215 4.526 4.740 0.002 0.000 0.191 149 N C 1.833 177.303 175.510 -0.066 0.000 1.031 149 N CA 1.833 54.761 53.050 -0.204 0.000 0.852 149 N CB -0.269 38.032 38.487 -0.310 0.000 1.018 149 N HN 0.282 nan 8.380 nan 0.000 0.423 150 L N 1.528 122.676 121.223 -0.126 0.000 2.017 150 L HA -0.100 4.241 4.340 0.002 0.000 0.208 150 L C 2.320 179.274 176.870 0.140 0.000 1.073 150 L CA 1.100 55.927 54.840 -0.022 0.000 0.745 150 L CB -0.550 41.405 42.059 -0.173 0.000 0.894 150 L HN 0.138 nan 8.230 nan 0.000 0.432 151 I N -0.995 119.552 120.570 -0.039 0.000 2.151 151 I HA -0.374 3.797 4.170 0.002 0.000 0.243 151 I C 2.688 178.931 176.117 0.209 0.000 1.080 151 I CA 1.394 62.719 61.300 0.042 0.000 1.339 151 I CB -0.380 37.536 38.000 -0.141 0.000 1.039 151 I HN 0.245 nan 8.210 nan 0.000 0.409 152 R N -0.058 120.520 120.500 0.130 0.000 2.062 152 R HA -0.144 4.198 4.340 0.002 0.000 0.231 152 R C 2.582 179.014 176.300 0.220 0.000 1.136 152 R CA 1.693 57.892 56.100 0.165 0.000 0.948 152 R CB -0.597 29.773 30.300 0.116 0.000 0.845 152 R HN 0.248 nan 8.270 nan 0.000 0.430 153 S N -0.013 115.813 115.700 0.208 0.000 2.359 153 S HA -0.156 4.315 4.470 0.002 0.000 0.224 153 S C 1.825 176.629 174.600 0.341 0.000 1.035 153 S CA 1.954 60.285 58.200 0.217 0.000 1.018 153 S CB -0.273 63.044 63.200 0.195 0.000 0.876 153 S HN 0.359 nan 8.310 nan 0.000 0.448 154 T N 2.362 117.176 114.554 0.434 0.000 2.759 154 T HA -0.107 4.244 4.350 0.002 0.000 0.269 154 T C 1.650 176.750 174.700 0.666 0.000 1.042 154 T CA 1.428 63.867 62.100 0.564 0.000 1.140 154 T CB -0.430 68.833 68.868 0.659 0.000 0.864 154 T HN 0.264 nan 8.240 nan 0.000 0.455 155 L N 1.421 123.009 121.223 0.608 0.000 2.056 155 L HA -0.022 4.319 4.340 0.002 0.000 0.207 155 L C 1.708 178.848 176.870 0.450 0.000 1.078 155 L CA 1.788 56.994 54.840 0.610 0.000 0.749 155 L CB -0.631 41.678 42.059 0.417 0.000 0.901 155 L HN 0.059 nan 8.230 nan 0.000 0.433 156 D N -1.227 119.367 120.400 0.322 0.000 2.178 156 D HA -0.216 4.425 4.640 0.002 0.000 0.202 156 D C 1.936 178.342 176.300 0.178 0.000 0.974 156 D CA 1.117 55.234 54.000 0.194 0.000 0.841 156 D CB -0.298 40.568 40.800 0.109 0.000 0.953 156 D HN 0.348 nan 8.370 nan 0.000 0.478 157 F N 0.411 120.440 119.950 0.132 0.000 2.134 157 F HA -0.147 4.381 4.527 0.002 0.000 0.299 157 F C 1.981 177.770 175.800 -0.017 0.000 1.097 157 F CA 0.870 58.902 58.000 0.053 0.000 1.264 157 F CB -0.477 38.581 39.000 0.096 0.000 1.001 157 F HN -0.080 nan 8.300 nan 0.000 0.479 158 F N 1.310 121.152 119.950 -0.181 0.000 2.095 158 F HA -0.203 4.325 4.527 0.002 0.000 0.298 158 F C 2.570 178.250 175.800 -0.201 0.000 1.104 158 F CA 2.252 60.022 58.000 -0.383 0.000 1.232 158 F CB -0.744 38.178 39.000 -0.131 0.000 0.987 158 F HN 0.186 nan 8.300 nan 0.000 0.475 159 E N -0.349 119.904 120.200 0.088 0.000 2.077 159 E HA -0.137 4.214 4.350 0.002 0.000 0.193 159 E C 2.481 179.021 176.600 -0.099 0.000 0.989 159 E CA 1.142 57.591 56.400 0.081 0.000 0.800 159 E CB -0.734 29.031 29.700 0.108 0.000 0.746 159 E HN 0.492 nan 8.360 nan 0.000 0.452 160 G N 0.439 109.110 108.800 -0.217 0.000 2.422 160 G HA2 -0.294 3.667 3.960 0.002 0.000 0.218 160 G HA3 -0.294 3.667 3.960 0.002 0.000 0.218 160 G C 1.692 176.411 174.900 -0.302 0.000 1.146 160 G CA 0.907 45.848 45.100 -0.266 0.000 0.769 160 G HN 0.393 nan 8.290 nan 0.000 0.547 161 C N -0.937 118.052 119.300 -0.520 0.000 2.429 161 C HA -0.026 4.435 4.460 0.002 0.000 0.277 161 C C 2.361 177.196 174.990 -0.258 0.000 1.262 161 C CA 0.452 59.159 59.018 -0.518 0.000 1.733 161 C CB -0.965 26.275 27.740 -0.834 0.000 2.010 161 C HN 0.667 nan 8.230 nan 0.000 0.483 162 W N 1.671 122.689 121.300 -0.471 0.000 2.317 162 W HA -0.138 4.523 4.660 0.002 0.000 0.318 162 W C 2.149 178.645 176.519 -0.037 0.000 1.227 162 W CA 1.485 58.667 57.345 -0.272 0.000 1.269 162 W CB -1.050 28.247 29.460 -0.271 0.000 1.155 162 W HN 0.307 nan 8.180 nan 0.000 0.484 163 I N 0.278 120.954 120.570 0.177 0.000 2.179 163 I HA -0.308 3.864 4.170 0.002 0.000 0.242 163 I C 2.215 178.458 176.117 0.211 0.000 1.088 163 I CA 1.731 63.102 61.300 0.119 0.000 1.357 163 I CB -0.879 37.149 38.000 0.046 0.000 1.051 163 I HN -0.040 nan 8.210 nan 0.000 0.409 164 E N 0.441 120.699 120.200 0.097 0.000 2.333 164 E HA -0.258 4.094 4.350 0.002 0.000 0.198 164 E C 2.044 178.704 176.600 0.100 0.000 1.007 164 E CA 0.645 57.093 56.400 0.080 0.000 0.845 164 E CB -0.081 29.601 29.700 -0.030 0.000 0.766 164 E HN 0.533 nan 8.360 nan 0.000 0.507 165 Q N -0.654 119.221 119.800 0.124 0.000 2.364 165 Q HA -0.140 4.201 4.340 0.002 0.000 0.207 165 Q C 0.722 176.727 176.000 0.008 0.000 0.970 165 Q CA 0.819 56.644 55.803 0.036 0.000 0.888 165 Q CB 0.152 28.891 28.738 0.001 0.000 0.951 165 Q HN 0.395 nan 8.270 nan 0.000 0.469 166 Y N -0.347 119.983 120.300 0.050 0.000 2.490 166 Y HA 0.038 4.589 4.550 0.002 0.000 0.281 166 Y C 0.631 176.583 175.900 0.086 0.000 1.174 166 Y CA 0.190 58.319 58.100 0.048 0.000 1.295 166 Y CB -0.023 38.442 38.460 0.008 0.000 1.062 166 Y HN 0.141 nan 8.280 nan 0.000 0.522 167 N N 0.137 118.958 118.700 0.202 0.000 2.708 167 N HA -0.302 4.439 4.740 0.002 0.000 0.251 167 N C -0.841 174.803 175.510 0.224 0.000 1.017 167 N CA 0.265 53.407 53.050 0.153 0.000 0.742 167 N CB -1.437 37.099 38.487 0.081 0.000 0.943 167 N HN 0.292 nan 8.380 nan 0.000 0.539 168 F N -0.474 119.529 119.950 0.089 0.000 2.385 168 F HA 0.603 5.131 4.527 0.002 0.000 0.360 168 F C 1.381 177.245 175.800 0.107 0.000 1.122 168 F CA -0.417 57.599 58.000 0.026 0.000 1.090 168 F CB 0.916 39.875 39.000 -0.070 0.000 1.150 168 F HN 0.020 nan 8.300 nan 0.000 0.472 169 G N 3.198 111.796 108.800 -0.337 0.000 3.042 169 G HA2 0.422 4.383 3.960 0.002 0.000 0.212 169 G HA3 0.422 4.383 3.960 0.002 0.000 0.212 169 G C 0.465 175.121 174.900 -0.407 0.000 1.166 169 G CA 0.193 45.174 45.100 -0.199 0.000 0.767 169 G HN 1.375 nan 8.290 nan 0.000 0.546 170 G N -0.752 107.013 108.800 -1.726 0.000 2.697 170 G HA2 0.006 3.967 3.960 0.002 0.000 0.686 170 G HA3 0.006 3.967 3.960 0.002 0.000 0.686 170 G C -0.597 173.792 174.900 -0.852 0.000 1.179 170 G CA -1.164 42.970 45.100 -1.610 0.000 0.765 170 G HN 0.182 nan 8.290 nan 0.000 0.649 171 F N 1.560 121.302 119.950 -0.346 0.000 2.495 171 F HA 0.429 4.957 4.527 0.002 0.000 0.365 171 F C -1.274 174.478 175.800 -0.080 0.000 1.090 171 F CA -1.830 56.120 58.000 -0.085 0.000 1.235 171 F CB 0.719 39.729 39.000 0.016 0.000 1.119 171 F HN 0.161 nan 8.300 nan 0.000 0.562 172 P HA 0.148 nan 4.420 nan 0.000 0.260 172 P C 0.672 177.996 177.300 0.040 0.000 1.185 172 P CA 1.261 64.415 63.100 0.090 0.000 0.763 172 P CB 0.332 32.078 31.700 0.077 0.000 0.776 173 G N 2.619 111.407 108.800 -0.020 0.000 2.195 173 G HA2 -0.249 3.712 3.960 0.002 0.000 0.224 173 G HA3 -0.249 3.712 3.960 0.002 0.000 0.224 173 G C 0.721 175.337 174.900 -0.473 0.000 0.990 173 G CA 0.108 45.028 45.100 -0.301 0.000 0.639 173 G HN 0.605 nan 8.290 nan 0.000 0.514 174 S N 1.347 116.974 115.700 -0.123 0.000 3.983 174 S HA 0.357 4.829 4.470 0.002 0.000 0.194 174 S C 1.826 176.491 174.600 0.108 0.000 1.464 174 S CA 0.107 58.305 58.200 -0.002 0.000 1.021 174 S CB -0.483 62.787 63.200 0.117 0.000 1.424 174 S HN 0.401 nan 8.310 nan 0.000 0.473 175 H N 1.543 120.702 119.070 0.149 0.000 2.431 175 H HA -0.126 4.431 4.556 0.002 0.000 0.297 175 H C 1.022 176.467 175.328 0.196 0.000 1.115 175 H CA 1.763 57.909 56.048 0.163 0.000 1.277 175 H CB -0.360 29.473 29.762 0.118 0.000 1.372 175 H HN 0.638 nan 8.280 nan 0.000 0.516 176 D N -0.601 119.966 120.400 0.278 0.000 2.349 176 D HA -0.070 4.571 4.640 0.002 0.000 0.224 176 D C 1.613 178.079 176.300 0.277 0.000 1.029 176 D CA 0.018 54.162 54.000 0.241 0.000 0.879 176 D CB -0.122 40.773 40.800 0.159 0.000 0.906 176 D HN 0.316 nan 8.370 nan 0.000 0.528 177 Y N 1.442 121.842 120.300 0.166 0.000 2.220 177 Y HA 0.028 4.579 4.550 0.002 0.000 0.291 177 Y C -1.014 175.026 175.900 0.233 0.000 1.129 177 Y CA 0.656 58.874 58.100 0.198 0.000 1.161 177 Y CB -0.955 37.566 38.460 0.101 0.000 0.997 177 Y HN -0.034 nan 8.280 nan 0.000 0.522 178 P HA -0.181 nan 4.420 nan 0.000 0.215 178 P C 1.508 178.728 177.300 -0.133 0.000 1.157 178 P CA 2.072 65.041 63.100 -0.217 0.000 0.868 178 P CB -0.057 31.511 31.700 -0.220 0.000 0.788 179 Q N -1.485 118.359 119.800 0.073 0.000 2.084 179 Q HA -0.182 4.159 4.340 0.002 0.000 0.202 179 Q C 2.133 178.174 176.000 0.068 0.000 0.978 179 Q CA 1.310 57.191 55.803 0.130 0.000 0.844 179 Q CB -1.226 27.655 28.738 0.238 0.000 0.898 179 Q HN 0.304 nan 8.270 nan 0.000 0.426 180 F N 1.599 121.523 119.950 -0.043 0.000 2.095 180 F HA -0.258 4.270 4.527 0.002 0.000 0.298 180 F C 2.023 177.753 175.800 -0.117 0.000 1.104 180 F CA 1.280 59.251 58.000 -0.049 0.000 1.232 180 F CB -0.429 38.570 39.000 -0.002 0.000 0.987 180 F HN 0.088 nan 8.300 nan 0.000 0.475 181 L N 0.827 121.757 121.223 -0.489 0.000 2.023 181 L HA -0.047 4.294 4.340 0.002 0.000 0.205 181 L C 2.569 179.225 176.870 -0.356 0.000 1.073 181 L CA 1.833 56.326 54.840 -0.579 0.000 0.745 181 L CB -1.111 40.593 42.059 -0.591 0.000 0.900 181 L HN 0.125 nan 8.230 nan 0.000 0.435 182 R N 0.003 120.357 120.500 -0.243 0.000 2.105 182 R HA -0.156 4.185 4.340 0.002 0.000 0.239 182 R C 2.465 178.687 176.300 -0.130 0.000 1.135 182 R CA 1.754 57.770 56.100 -0.140 0.000 0.967 182 R CB -0.513 29.737 30.300 -0.082 0.000 0.861 182 R HN 0.358 nan 8.270 nan 0.000 0.442 183 R N -1.029 119.375 120.500 -0.160 0.000 2.075 183 R HA -0.017 4.325 4.340 0.002 0.000 0.232 183 R C 2.185 178.381 176.300 -0.173 0.000 1.126 183 R CA 1.509 57.517 56.100 -0.154 0.000 0.963 183 R CB -0.163 30.063 30.300 -0.123 0.000 0.858 183 R HN 0.228 nan 8.270 nan 0.000 0.435 184 M N 1.148 120.581 119.600 -0.278 0.000 2.108 184 M HA -0.180 4.301 4.480 0.002 0.000 0.261 184 M C 1.004 177.244 176.300 -0.100 0.000 1.066 184 M CA 1.720 56.861 55.300 -0.266 0.000 1.107 184 M CB -0.778 31.531 32.600 -0.486 0.000 1.356 184 M HN 0.191 nan 8.290 nan 0.000 0.406 185 N N -1.161 117.500 118.700 -0.066 0.000 2.234 185 N HA 0.146 4.887 4.740 0.002 0.000 0.227 185 N C 1.141 176.796 175.510 0.243 0.000 1.151 185 N CA 0.498 53.625 53.050 0.129 0.000 0.865 185 N CB -0.783 37.689 38.487 -0.025 0.000 1.066 185 N HN 0.146 nan 8.380 nan 0.000 0.515 186 G N 0.041 108.902 108.800 0.103 0.000 2.511 186 G HA2 0.009 3.970 3.960 0.002 0.000 0.217 186 G HA3 0.009 3.970 3.960 0.002 0.000 0.217 186 G C 0.696 175.664 174.900 0.113 0.000 1.133 186 G CA 0.214 45.365 45.100 0.085 0.000 0.792 186 G HN 0.355 nan 8.290 nan 0.000 0.539 187 L N -0.956 120.347 121.223 0.134 0.000 4.496 187 L HA -0.243 4.098 4.340 0.002 0.000 0.419 187 L C 2.241 179.189 176.870 0.129 0.000 1.139 187 L CA -0.018 54.904 54.840 0.138 0.000 0.975 187 L CB -1.477 40.640 42.059 0.097 0.000 2.099 187 L HN 0.343 nan 8.230 nan 0.000 0.818 188 G N -0.433 108.410 108.800 0.072 0.000 2.628 188 G HA2 -0.286 3.675 3.960 0.002 0.000 0.217 188 G HA3 -0.286 3.675 3.960 0.002 0.000 0.217 188 G C 0.943 175.949 174.900 0.177 0.000 1.240 188 G CA 1.307 46.459 45.100 0.087 0.000 0.792 188 G HN 0.739 nan 8.290 nan 0.000 0.593 189 H N -1.067 118.017 119.070 0.023 0.000 2.518 189 H HA -0.107 4.450 4.556 0.002 0.000 0.294 189 H C 2.544 177.875 175.328 0.004 0.000 1.083 189 H CA 0.450 56.500 56.048 0.004 0.000 1.264 189 H CB -0.004 29.757 29.762 -0.001 0.000 1.370 189 H HN 0.404 nan 8.280 nan 0.000 0.560 190 C N -0.111 119.301 119.300 0.187 0.000 2.518 190 C HA -0.058 4.403 4.460 0.002 0.000 0.279 190 C C 2.747 177.847 174.990 0.183 0.000 1.279 190 C CA 0.298 59.415 59.018 0.165 0.000 1.703 190 C CB -0.977 26.916 27.740 0.255 0.000 2.072 190 C HN 0.340 nan 8.230 nan 0.000 0.487 191 V N 1.474 121.526 119.914 0.230 0.000 2.233 191 V HA -0.072 4.049 4.120 0.002 0.000 0.247 191 V C 2.775 178.818 176.094 -0.085 0.000 1.050 191 V CA 2.545 64.961 62.300 0.193 0.000 1.010 191 V CB -1.498 30.343 31.823 0.030 0.000 0.637 191 V HN 0.711 nan 8.190 nan 0.000 0.444 192 G N -0.702 108.021 108.800 -0.127 0.000 2.469 192 G HA2 -0.274 3.687 3.960 0.002 0.000 0.219 192 G HA3 -0.274 3.687 3.960 0.002 0.000 0.219 192 G C 1.648 176.517 174.900 -0.051 0.000 1.150 192 G CA 1.161 46.163 45.100 -0.163 0.000 0.763 192 G HN 0.671 nan 8.290 nan 0.000 0.561 193 A N 0.741 123.555 122.820 -0.011 0.000 2.067 193 A HA 0.181 4.502 4.320 0.002 0.000 0.217 193 A C 2.507 180.057 177.584 -0.056 0.000 1.156 193 A CA 1.836 53.888 52.037 0.024 0.000 0.683 193 A CB -0.309 18.626 19.000 -0.109 0.000 0.808 193 A HN 0.693 nan 8.150 nan 0.000 0.455 194 S N -0.608 115.035 115.700 -0.096 0.000 2.603 194 S HA 0.191 4.662 4.470 0.002 0.000 0.220 194 S C 1.227 176.054 174.600 0.377 0.000 0.967 194 S CA 0.213 58.417 58.200 0.006 0.000 0.920 194 S CB -0.399 62.896 63.200 0.158 0.000 0.773 194 S HN 0.426 nan 8.310 nan 0.000 0.529 195 L N -0.380 120.696 121.223 -0.244 0.000 2.591 195 L HA 0.275 4.616 4.340 0.002 0.000 0.228 195 L C -0.178 176.067 176.870 -1.041 0.000 1.133 195 L CA 0.002 54.347 54.840 -0.825 0.000 0.880 195 L CB -0.147 40.959 42.059 -1.589 0.000 1.033 195 L HN 0.469 nan 8.230 nan 0.000 0.450 196 W N -0.109 121.230 121.300 0.065 0.000 2.148 196 W HA 0.370 5.031 4.660 0.002 0.000 0.288 196 W C -2.468 174.193 176.519 0.237 0.000 0.920 196 W CA -2.151 55.128 57.345 -0.111 0.000 1.904 196 W CB -0.168 29.086 29.460 -0.343 0.000 2.083 196 W HN -0.227 nan 8.180 nan 0.000 0.398 197 P HA -0.040 nan 4.420 nan 0.000 0.266 197 P C 1.066 178.475 177.300 0.182 0.000 1.195 197 P CA 0.155 63.239 63.100 -0.027 0.000 0.768 197 P CB 0.966 32.630 31.700 -0.060 0.000 0.838 198 K N 2.418 122.857 120.400 0.065 0.000 2.211 198 K HA -0.148 4.173 4.320 0.002 0.000 0.203 198 K C 0.921 177.571 176.600 0.083 0.000 1.050 198 K CA 1.508 57.871 56.287 0.126 0.000 0.945 198 K CB -0.336 32.216 32.500 0.086 0.000 0.732 198 K HN 0.383 nan 8.250 nan 0.000 0.451 199 E N 0.654 120.868 120.200 0.024 0.000 2.478 199 E HA -0.123 4.229 4.350 0.002 0.000 0.198 199 E C 1.237 177.836 176.600 -0.002 0.000 1.046 199 E CA 0.769 57.166 56.400 -0.004 0.000 0.870 199 E CB 0.135 29.811 29.700 -0.040 0.000 0.818 199 E HN 0.526 nan 8.360 nan 0.000 0.527 200 Q N -1.329 118.502 119.800 0.051 0.000 2.210 200 Q HA 0.201 4.542 4.340 0.002 0.000 0.252 200 Q C -0.398 175.418 176.000 -0.307 0.000 0.811 200 Q CA 0.029 55.769 55.803 -0.104 0.000 0.953 200 Q CB 0.986 29.701 28.738 -0.038 0.000 1.136 200 Q HN 0.012 nan 8.270 nan 0.000 0.491 201 F N -0.080 119.935 119.950 0.108 0.000 2.650 201 F HA 0.362 4.890 4.527 0.002 0.000 0.320 201 F C -0.587 175.266 175.800 0.088 0.000 1.091 201 F CA -1.114 56.957 58.000 0.119 0.000 0.962 201 F CB 1.566 40.693 39.000 0.212 0.000 1.363 201 F HN -0.218 nan 8.300 nan 0.000 0.482 202 N N 0.724 119.589 118.700 0.274 0.000 2.573 202 N HA 0.193 4.935 4.740 0.002 0.000 0.262 202 N C 0.019 175.612 175.510 0.137 0.000 1.029 202 N CA -0.185 52.964 53.050 0.164 0.000 0.882 202 N CB 1.032 39.578 38.487 0.098 0.000 1.204 202 N HN 0.749 nan 8.380 nan 0.000 0.519 203 E N 2.381 122.665 120.200 0.140 0.000 2.086 203 E HA -0.278 4.074 4.350 0.002 0.000 0.200 203 E C 1.387 178.057 176.600 0.117 0.000 1.012 203 E CA 1.430 57.884 56.400 0.091 0.000 0.812 203 E CB 0.046 29.841 29.700 0.160 0.000 0.743 203 E HN 0.631 nan 8.360 nan 0.000 0.453 204 R N 0.783 121.359 120.500 0.127 0.000 2.096 204 R HA -0.134 4.207 4.340 0.002 0.000 0.240 204 R C 2.551 178.891 176.300 0.067 0.000 1.139 204 R CA 1.723 57.880 56.100 0.095 0.000 0.952 204 R CB -0.505 29.827 30.300 0.054 0.000 0.854 204 R HN 0.054 nan 8.270 nan 0.000 0.436 205 S N 0.678 116.411 115.700 0.056 0.000 2.436 205 S HA 0.083 4.554 4.470 0.002 0.000 0.228 205 S C 1.508 176.128 174.600 0.033 0.000 1.014 205 S CA 0.675 58.898 58.200 0.037 0.000 0.950 205 S CB 0.190 63.411 63.200 0.035 0.000 0.784 205 S HN 0.204 nan 8.310 nan 0.000 0.504 206 L N 0.414 121.652 121.223 0.025 0.000 3.110 206 L HA 0.344 4.685 4.340 0.002 0.000 0.266 206 L C 1.033 177.840 176.870 -0.105 0.000 1.257 206 L CA -0.176 54.638 54.840 -0.042 0.000 1.038 206 L CB -0.120 41.896 42.059 -0.073 0.000 1.395 206 L HN 0.165 nan 8.230 nan 0.000 0.566 207 F N 1.210 121.049 119.950 -0.185 0.000 2.043 207 F HA -0.343 4.185 4.527 0.002 0.000 0.297 207 F C 2.048 177.701 175.800 -0.245 0.000 1.118 207 F CA 2.151 59.990 58.000 -0.268 0.000 1.202 207 F CB 0.060 38.889 39.000 -0.283 0.000 0.965 207 F HN 0.048 nan 8.300 nan 0.000 0.482 208 L N -0.210 121.064 121.223 0.086 0.000 2.131 208 L HA -0.186 4.155 4.340 0.002 0.000 0.210 208 L C 2.423 179.255 176.870 -0.064 0.000 1.092 208 L CA 1.226 56.082 54.840 0.026 0.000 0.759 208 L CB -0.956 41.130 42.059 0.045 0.000 0.903 208 L HN 0.242 nan 8.230 nan 0.000 0.435 209 E N 0.735 120.871 120.200 -0.106 0.000 2.047 209 E HA -0.182 4.169 4.350 0.002 0.000 0.191 209 E C 2.281 178.718 176.600 -0.272 0.000 0.987 209 E CA 1.229 57.568 56.400 -0.103 0.000 0.799 209 E CB -0.316 29.290 29.700 -0.157 0.000 0.752 209 E HN 0.516 nan 8.360 nan 0.000 0.449 210 I N 1.517 121.768 120.570 -0.533 0.000 2.113 210 I HA -0.247 3.924 4.170 0.002 0.000 0.238 210 I C 2.579 178.494 176.117 -0.337 0.000 1.070 210 I CA 1.538 62.405 61.300 -0.722 0.000 1.332 210 I CB -0.563 36.970 38.000 -0.778 0.000 1.044 210 I HN 0.074 nan 8.210 nan 0.000 0.402 211 T N 0.042 114.393 114.554 -0.339 0.000 2.653 211 T HA -0.233 4.118 4.350 0.002 0.000 0.268 211 T C 2.124 176.784 174.700 -0.067 0.000 1.035 211 T CA 2.080 64.066 62.100 -0.192 0.000 1.154 211 T CB -0.253 68.464 68.868 -0.252 0.000 0.862 211 T HN 0.261 nan 8.240 nan 0.000 0.441 212 S N 0.553 116.241 115.700 -0.020 0.000 2.382 212 S HA -0.047 4.424 4.470 0.002 0.000 0.228 212 S C 2.471 177.185 174.600 0.190 0.000 1.027 212 S CA 0.996 59.257 58.200 0.102 0.000 0.991 212 S CB -0.489 62.800 63.200 0.148 0.000 0.823 212 S HN 0.596 nan 8.310 nan 0.000 0.469 213 A N 1.500 124.389 122.820 0.116 0.000 1.877 213 A HA -0.074 4.248 4.320 0.002 0.000 0.216 213 A C 2.032 179.624 177.584 0.014 0.000 1.186 213 A CA 1.322 53.362 52.037 0.006 0.000 0.620 213 A CB -0.786 18.188 19.000 -0.044 0.000 0.822 213 A HN 0.494 nan 8.150 nan 0.000 0.443 214 I N -0.154 120.418 120.570 0.003 0.000 2.118 214 I HA -0.369 3.802 4.170 0.002 0.000 0.241 214 I C 3.027 179.118 176.117 -0.042 0.000 1.070 214 I CA 1.338 62.610 61.300 -0.047 0.000 1.327 214 I CB -0.473 37.445 38.000 -0.136 0.000 1.034 214 I HN 0.389 nan 8.210 nan 0.000 0.405 215 A N 0.050 122.851 122.820 -0.031 0.000 1.892 215 A HA -0.283 4.039 4.320 0.002 0.000 0.218 215 A C 2.239 179.865 177.584 0.071 0.000 1.188 215 A CA 1.937 53.986 52.037 0.019 0.000 0.631 215 A CB -0.627 18.397 19.000 0.039 0.000 0.822 215 A HN 0.554 nan 8.150 nan 0.000 0.447 216 Q N -2.301 117.563 119.800 0.106 0.000 2.204 216 Q HA 0.016 4.357 4.340 0.002 0.000 0.198 216 Q C 2.048 178.127 176.000 0.131 0.000 0.946 216 Q CA 1.126 57.016 55.803 0.145 0.000 0.859 216 Q CB -0.161 28.718 28.738 0.236 0.000 0.946 216 Q HN 0.594 nan 8.270 nan 0.000 0.474 217 M N 1.519 121.162 119.600 0.071 0.000 2.229 217 M HA -0.170 4.311 4.480 0.002 0.000 0.264 217 M C 1.832 178.172 176.300 0.066 0.000 1.063 217 M CA 1.545 56.879 55.300 0.057 0.000 1.114 217 M CB -0.172 32.361 32.600 -0.112 0.000 1.387 217 M HN 0.182 nan 8.290 nan 0.000 0.420 218 E N -0.359 119.863 120.200 0.038 0.000 2.070 218 E HA -0.264 4.087 4.350 0.002 0.000 0.197 218 E C 1.562 178.081 176.600 -0.134 0.000 1.004 218 E CA 1.784 58.192 56.400 0.014 0.000 0.805 218 E CB -0.163 29.604 29.700 0.113 0.000 0.744 218 E HN 0.580 nan 8.360 nan 0.000 0.451 219 N N -0.416 118.150 118.700 -0.223 0.000 2.250 219 N HA -0.129 4.613 4.740 0.002 0.000 0.181 219 N C 1.393 176.645 175.510 -0.429 0.000 1.017 219 N CA 1.040 53.676 53.050 -0.690 0.000 0.866 219 N CB -0.444 37.561 38.487 -0.803 0.000 0.985 219 N HN 0.342 nan 8.380 nan 0.000 0.429 220 W N 2.269 123.494 121.300 -0.125 0.000 2.353 220 W HA -0.041 4.620 4.660 0.002 0.000 0.319 220 W C 2.424 178.987 176.519 0.074 0.000 1.207 220 W CA 1.206 58.597 57.345 0.078 0.000 1.291 220 W CB -0.451 29.065 29.460 0.092 0.000 1.159 220 W HN -0.107 nan 8.180 nan 0.000 0.478 221 M N 0.975 120.701 119.600 0.210 0.000 2.106 221 M HA -0.192 4.289 4.480 0.002 0.000 0.259 221 M C 1.830 178.166 176.300 0.059 0.000 1.068 221 M CA 2.659 57.994 55.300 0.058 0.000 1.100 221 M CB -1.252 31.399 32.600 0.084 0.000 1.351 221 M HN 0.113 nan 8.290 nan 0.000 0.404 222 V N -2.708 117.183 119.914 -0.038 0.000 2.453 222 V HA -0.164 3.957 4.120 0.002 0.000 0.247 222 V C 2.012 178.134 176.094 0.046 0.000 1.048 222 V CA 1.074 63.361 62.300 -0.023 0.000 1.049 222 V CB -1.449 30.277 31.823 -0.162 0.000 0.672 222 V HN 0.499 nan 8.190 nan 0.000 0.457 223 W N 0.267 121.537 121.300 -0.050 0.000 2.476 223 W HA 0.183 4.844 4.660 0.002 0.000 0.281 223 W C 2.595 178.995 176.519 -0.198 0.000 1.230 223 W CA 0.736 58.025 57.345 -0.093 0.000 1.287 223 W CB -0.876 28.532 29.460 -0.086 0.000 1.108 223 W HN 0.191 nan 8.180 nan 0.000 0.567 224 V N 0.987 120.813 119.914 -0.147 0.000 2.453 224 V HA -0.258 3.863 4.120 0.002 0.000 0.247 224 V C 2.370 178.295 176.094 -0.282 0.000 1.048 224 V CA 1.999 64.075 62.300 -0.373 0.000 1.049 224 V CB -0.674 30.650 31.823 -0.832 0.000 0.672 224 V HN 0.243 nan 8.190 nan 0.000 0.457 225 N N 0.067 118.734 118.700 -0.054 0.000 2.171 225 N HA -0.188 4.553 4.740 0.002 0.000 0.184 225 N C 1.525 177.094 175.510 0.098 0.000 1.021 225 N CA 1.523 54.603 53.050 0.050 0.000 0.854 225 N CB -0.085 38.589 38.487 0.313 0.000 0.994 225 N HN 0.422 nan 8.380 nan 0.000 0.426 226 D N 0.952 121.433 120.400 0.136 0.000 2.144 226 D HA -0.144 4.497 4.640 0.002 0.000 0.199 226 D C 1.981 178.390 176.300 0.181 0.000 0.984 226 D CA 0.487 54.595 54.000 0.180 0.000 0.834 226 D CB -0.036 40.890 40.800 0.210 0.000 0.955 226 D HN 0.261 nan 8.370 nan 0.000 0.465 227 L N 0.630 121.907 121.223 0.090 0.000 2.027 227 L HA -0.112 4.230 4.340 0.002 0.000 0.206 227 L C 2.179 179.189 176.870 0.233 0.000 1.074 227 L CA 1.357 56.258 54.840 0.102 0.000 0.745 227 L CB -0.376 41.654 42.059 -0.048 0.000 0.898 227 L HN -0.087 nan 8.230 nan 0.000 0.433 228 M N -1.448 118.174 119.600 0.037 0.000 2.175 228 M HA -0.073 4.408 4.480 0.002 0.000 0.264 228 M C 2.255 178.694 176.300 0.231 0.000 1.063 228 M CA 1.223 56.566 55.300 0.071 0.000 1.119 228 M CB -1.406 30.962 32.600 -0.386 0.000 1.377 228 M HN 0.223 nan 8.290 nan 0.000 0.415 229 S N 0.462 116.311 115.700 0.248 0.000 2.515 229 S HA -0.049 4.422 4.470 0.002 0.000 0.231 229 S C 1.512 176.280 174.600 0.280 0.000 0.987 229 S CA 0.311 58.718 58.200 0.345 0.000 0.936 229 S CB -0.584 62.813 63.200 0.328 0.000 0.766 229 S HN 0.371 nan 8.310 nan 0.000 0.528 230 F N 1.196 121.244 119.950 0.163 0.000 2.373 230 F HA -0.128 4.400 4.527 0.002 0.000 0.300 230 F C 1.776 177.676 175.800 0.166 0.000 1.080 230 F CA 0.787 58.881 58.000 0.156 0.000 1.417 230 F CB -0.254 38.838 39.000 0.154 0.000 1.070 230 F HN 0.282 nan 8.300 nan 0.000 0.546 231 Y N 1.656 121.922 120.300 -0.058 0.000 2.231 231 Y HA -0.067 4.484 4.550 0.002 0.000 0.294 231 Y C 2.423 178.198 175.900 -0.207 0.000 1.120 231 Y CA 2.102 60.062 58.100 -0.234 0.000 1.141 231 Y CB -0.744 37.535 38.460 -0.301 0.000 1.022 231 Y HN 0.132 nan 8.280 nan 0.000 0.523 232 K N -0.069 120.176 120.400 -0.259 0.000 2.097 232 K HA -0.148 4.173 4.320 0.002 0.000 0.205 232 K C 1.560 178.006 176.600 -0.256 0.000 1.050 232 K CA 2.038 58.131 56.287 -0.324 0.000 0.938 232 K CB -0.505 31.922 32.500 -0.122 0.000 0.718 232 K HN 0.378 nan 8.250 nan 0.000 0.442 233 E N 0.016 120.121 120.200 -0.157 0.000 2.427 233 E HA -0.074 4.277 4.350 0.002 0.000 0.196 233 E C 1.487 177.971 176.600 -0.193 0.000 1.028 233 E CA 0.083 56.399 56.400 -0.139 0.000 0.864 233 E CB -0.184 29.480 29.700 -0.060 0.000 0.813 233 E HN 0.248 nan 8.360 nan 0.000 0.514 234 F N 2.514 122.199 119.950 -0.442 0.000 2.043 234 F HA -0.270 4.258 4.527 0.002 0.000 0.297 234 F C 1.594 177.223 175.800 -0.284 0.000 1.118 234 F CA 1.836 59.564 58.000 -0.453 0.000 1.202 234 F CB 0.141 38.874 39.000 -0.446 0.000 0.965 234 F HN -0.076 nan 8.300 nan 0.000 0.482 235 D N -0.575 119.714 120.400 -0.185 0.000 2.340 235 D HA 0.010 4.651 4.640 0.002 0.000 0.217 235 D C -0.230 175.963 176.300 -0.178 0.000 1.081 235 D CA 0.195 54.073 54.000 -0.203 0.000 0.842 235 D CB -0.563 40.168 40.800 -0.115 0.000 0.934 235 D HN 0.281 nan 8.370 nan 0.000 0.511 236 D N 1.181 121.476 120.400 -0.176 0.000 2.416 236 D HA -0.006 4.635 4.640 0.002 0.000 0.240 236 D C 1.062 177.289 176.300 -0.120 0.000 1.250 236 D CA 0.178 54.096 54.000 -0.138 0.000 0.967 236 D CB 0.365 41.090 40.800 -0.127 0.000 1.059 236 D HN 0.032 nan 8.370 nan 0.000 0.512 237 E N 2.461 122.596 120.200 -0.107 0.000 2.338 237 E HA -0.130 4.221 4.350 0.002 0.000 0.197 237 E C 1.636 178.194 176.600 -0.070 0.000 1.007 237 E CA 0.389 56.735 56.400 -0.089 0.000 0.849 237 E CB 0.354 30.007 29.700 -0.078 0.000 0.774 237 E HN 0.490 nan 8.360 nan 0.000 0.506 238 R N 1.121 121.579 120.500 -0.069 0.000 2.064 238 R HA -0.078 4.263 4.340 0.002 0.000 0.228 238 R C 0.866 177.136 176.300 -0.050 0.000 1.144 238 R CA 0.977 57.043 56.100 -0.057 0.000 0.932 238 R CB -0.421 29.844 30.300 -0.059 0.000 0.833 238 R HN 0.024 nan 8.270 nan 0.000 0.429 239 D N 0.994 121.361 120.400 -0.054 0.000 2.348 239 D HA -0.025 4.616 4.640 0.002 0.000 0.259 239 D C 0.508 176.784 176.300 -0.039 0.000 1.296 239 D CA 0.352 54.328 54.000 -0.040 0.000 0.931 239 D CB 0.904 41.681 40.800 -0.037 0.000 1.067 239 D HN 0.075 nan 8.370 nan 0.000 0.503 240 Q N 2.427 122.211 119.800 -0.026 0.000 2.302 240 Q HA 0.144 4.485 4.340 0.002 0.000 0.202 240 Q C 0.479 176.473 176.000 -0.011 0.000 0.936 240 Q CA 0.499 56.289 55.803 -0.022 0.000 0.886 240 Q CB 0.288 29.019 28.738 -0.012 0.000 0.986 240 Q HN 0.689 nan 8.270 nan 0.000 0.487 241 I N -0.496 120.074 120.570 0.000 0.000 2.412 241 I HA 0.448 4.619 4.170 0.002 0.000 0.279 241 I C -0.605 175.508 176.117 -0.006 0.000 1.063 241 I CA -0.793 60.510 61.300 0.004 0.000 1.193 241 I CB 0.984 39.005 38.000 0.033 0.000 1.370 241 I HN -0.168 nan 8.210 nan 0.000 0.479 242 S N 4.531 120.227 115.700 -0.008 0.000 2.532 242 S HA 0.414 4.885 4.470 0.002 0.000 0.301 242 S C 0.712 175.286 174.600 -0.043 0.000 1.083 242 S CA -0.882 57.318 58.200 -0.000 0.000 1.025 242 S CB 2.393 65.620 63.200 0.044 0.000 1.056 242 S HN 0.678 nan 8.310 nan 0.000 0.494 243 L N 3.051 124.227 121.223 -0.078 0.000 2.054 243 L HA -0.163 4.179 4.340 0.002 0.000 0.220 243 L C 2.086 178.749 176.870 -0.346 0.000 1.081 243 L CA 2.108 56.806 54.840 -0.236 0.000 0.780 243 L CB -1.050 40.924 42.059 -0.141 0.000 0.893 243 L HN 0.720 nan 8.230 nan 0.000 0.438 244 V N -0.483 119.399 119.914 -0.053 0.000 2.323 244 V HA -0.257 3.864 4.120 0.002 0.000 0.244 244 V C 2.560 178.733 176.094 0.132 0.000 1.041 244 V CA 2.075 64.454 62.300 0.131 0.000 1.025 244 V CB -0.587 31.398 31.823 0.269 0.000 0.656 244 V HN 0.476 nan 8.190 nan 0.000 0.451 245 K N 0.327 120.779 120.400 0.087 0.000 2.211 245 K HA -0.163 4.158 4.320 0.002 0.000 0.204 245 K C 1.838 178.465 176.600 0.045 0.000 1.047 245 K CA 1.365 57.689 56.287 0.061 0.000 0.935 245 K CB -0.287 32.225 32.500 0.021 0.000 0.728 245 K HN 0.469 nan 8.250 nan 0.000 0.452 246 N N 0.183 118.884 118.700 0.001 0.000 2.250 246 N HA -0.101 4.640 4.740 0.002 0.000 0.181 246 N C 1.652 177.225 175.510 0.105 0.000 1.017 246 N CA 1.012 54.065 53.050 0.006 0.000 0.866 246 N CB -0.287 38.157 38.487 -0.073 0.000 0.985 246 N HN 0.186 nan 8.380 nan 0.000 0.429 247 Y N 1.580 121.921 120.300 0.069 0.000 2.181 247 Y HA -0.083 4.469 4.550 0.002 0.000 0.288 247 Y C 2.505 178.444 175.900 0.066 0.000 1.146 247 Y CA 0.204 58.346 58.100 0.070 0.000 1.164 247 Y CB -0.902 37.587 38.460 0.048 0.000 0.982 247 Y HN -0.196 nan 8.280 nan 0.000 0.515 248 V N -1.001 119.048 119.914 0.226 0.000 2.255 248 V HA -0.301 3.820 4.120 0.002 0.000 0.247 248 V C 2.261 178.423 176.094 0.114 0.000 1.051 248 V CA 1.912 64.296 62.300 0.139 0.000 1.018 248 V CB -1.009 30.875 31.823 0.101 0.000 0.641 248 V HN 0.222 nan 8.190 nan 0.000 0.445 249 V N -0.858 119.113 119.914 0.095 0.000 2.302 249 V HA -0.163 3.959 4.120 0.002 0.000 0.243 249 V C 2.510 178.660 176.094 0.093 0.000 1.036 249 V CA 2.109 64.448 62.300 0.065 0.000 1.020 249 V CB -0.558 31.270 31.823 0.008 0.000 0.657 249 V HN 0.498 nan 8.190 nan 0.000 0.453 250 S N 0.022 115.799 115.700 0.128 0.000 2.355 250 S HA -0.186 4.285 4.470 0.002 0.000 0.222 250 S C 1.706 176.486 174.600 0.300 0.000 1.031 250 S CA 1.608 59.917 58.200 0.183 0.000 0.993 250 S CB -0.325 63.023 63.200 0.247 0.000 0.859 250 S HN 0.601 nan 8.310 nan 0.000 0.453 251 D N 0.498 121.086 120.400 0.313 0.000 2.289 251 D HA 0.045 4.686 4.640 0.002 0.000 0.207 251 D C -0.074 176.343 176.300 0.194 0.000 0.966 251 D CA 0.325 54.493 54.000 0.281 0.000 0.868 251 D CB -0.078 40.775 40.800 0.088 0.000 0.943 251 D HN 0.466 nan 8.370 nan 0.000 0.514 252 E N 0.363 120.655 120.200 0.153 0.000 2.266 252 E HA -0.172 4.179 4.350 0.002 0.000 0.209 252 E C -0.047 176.597 176.600 0.074 0.000 1.286 252 E CA 0.112 56.576 56.400 0.108 0.000 0.677 252 E CB -1.911 27.858 29.700 0.115 0.000 1.173 252 E HN 0.507 nan 8.360 nan 0.000 0.384 253 I N -3.136 117.475 120.570 0.068 0.000 3.174 253 I HA 0.628 4.799 4.170 0.002 0.000 0.313 253 I C 0.456 176.612 176.117 0.065 0.000 1.155 253 I CA -1.092 60.236 61.300 0.048 0.000 0.977 253 I CB 2.015 40.026 38.000 0.018 0.000 1.248 253 I HN 0.072 nan 8.210 nan 0.000 0.453 254 S N 1.985 117.727 115.700 0.069 0.000 2.585 254 S HA 0.153 4.624 4.470 0.002 0.000 0.273 254 S C 0.870 175.536 174.600 0.110 0.000 1.339 254 S CA -0.555 57.703 58.200 0.097 0.000 1.028 254 S CB 1.465 64.741 63.200 0.127 0.000 0.906 254 S HN 0.800 nan 8.310 nan 0.000 0.528 255 L N 1.576 122.858 121.223 0.099 0.000 2.081 255 L HA -0.150 4.191 4.340 0.002 0.000 0.212 255 L C 2.349 179.269 176.870 0.084 0.000 1.080 255 L CA 2.010 56.901 54.840 0.085 0.000 0.754 255 L CB -1.236 40.840 42.059 0.029 0.000 0.893 255 L HN 0.878 nan 8.230 nan 0.000 0.433 256 H N -0.092 119.064 119.070 0.144 0.000 2.357 256 H HA -0.090 4.467 4.556 0.002 0.000 0.301 256 H C 2.120 177.480 175.328 0.053 0.000 1.082 256 H CA 1.786 57.904 56.048 0.115 0.000 1.342 256 H CB 0.108 29.915 29.762 0.075 0.000 1.389 256 H HN 0.569 nan 8.280 nan 0.000 0.511 257 E N 0.465 120.751 120.200 0.143 0.000 2.077 257 E HA -0.108 4.243 4.350 0.002 0.000 0.193 257 E C 2.441 179.041 176.600 -0.000 0.000 0.989 257 E CA 0.749 57.177 56.400 0.046 0.000 0.800 257 E CB 0.025 29.736 29.700 0.019 0.000 0.746 257 E HN 0.367 nan 8.360 nan 0.000 0.452 258 A N 1.422 124.260 122.820 0.030 0.000 1.877 258 A HA -0.178 4.143 4.320 0.002 0.000 0.216 258 A C 2.192 179.783 177.584 0.010 0.000 1.186 258 A CA 1.136 53.189 52.037 0.025 0.000 0.620 258 A CB -0.604 18.510 19.000 0.190 0.000 0.822 258 A HN 0.241 nan 8.150 nan 0.000 0.443 259 L N 0.191 121.415 121.223 0.001 0.000 2.079 259 L HA -0.172 4.169 4.340 0.002 0.000 0.210 259 L C 2.175 179.009 176.870 -0.061 0.000 1.081 259 L CA 2.692 57.446 54.840 -0.144 0.000 0.752 259 L CB -0.687 41.230 42.059 -0.238 0.000 0.896 259 L HN 0.604 nan 8.230 nan 0.000 0.433 260 E N -0.641 119.580 120.200 0.035 0.000 2.153 260 E HA -0.295 4.056 4.350 0.002 0.000 0.194 260 E C 2.213 178.774 176.600 -0.064 0.000 0.988 260 E CA 1.268 57.699 56.400 0.052 0.000 0.811 260 E CB -0.033 29.679 29.700 0.020 0.000 0.746 260 E HN 0.552 nan 8.360 nan 0.000 0.466 261 K N 0.227 120.542 120.400 -0.141 0.000 2.025 261 K HA -0.170 4.152 4.320 0.002 0.000 0.207 261 K C 2.252 178.685 176.600 -0.278 0.000 1.049 261 K CA 1.032 57.166 56.287 -0.256 0.000 0.933 261 K CB -0.161 32.061 32.500 -0.463 0.000 0.714 261 K HN 0.098 nan 8.250 nan 0.000 0.438 262 L N 1.430 122.528 121.223 -0.208 0.000 1.989 262 L HA -0.202 4.139 4.340 0.002 0.000 0.211 262 L C 2.197 178.881 176.870 -0.311 0.000 1.071 262 L CA 2.649 57.334 54.840 -0.259 0.000 0.749 262 L CB -1.154 40.830 42.059 -0.126 0.000 0.890 262 L HN 0.463 nan 8.230 nan 0.000 0.431 263 T N -3.156 111.263 114.554 -0.226 0.000 2.665 263 T HA -0.260 4.091 4.350 0.002 0.000 0.268 263 T C 1.862 176.456 174.700 -0.177 0.000 1.035 263 T CA 1.465 63.442 62.100 -0.205 0.000 1.151 263 T CB -0.646 68.126 68.868 -0.160 0.000 0.862 263 T HN 0.416 nan 8.240 nan 0.000 0.438 264 Q N 1.170 120.880 119.800 -0.150 0.000 2.061 264 Q HA -0.123 4.218 4.340 0.002 0.000 0.204 264 Q C 2.262 178.187 176.000 -0.124 0.000 0.984 264 Q CA 1.654 57.398 55.803 -0.099 0.000 0.846 264 Q CB -0.553 28.135 28.738 -0.084 0.000 0.902 264 Q HN 0.630 nan 8.270 nan 0.000 0.421 265 D N -0.227 119.976 120.400 -0.328 0.000 2.117 265 D HA -0.085 4.556 4.640 0.002 0.000 0.198 265 D C 1.848 177.946 176.300 -0.336 0.000 0.982 265 D CA 1.398 55.065 54.000 -0.555 0.000 0.828 265 D CB -0.083 39.901 40.800 -1.359 0.000 0.967 265 D HN 0.245 nan 8.370 nan 0.000 0.464 266 T N 1.539 115.921 114.554 -0.286 0.000 2.708 266 T HA -0.069 4.282 4.350 0.002 0.000 0.266 266 T C 2.326 177.039 174.700 0.022 0.000 1.037 266 T CA 0.618 62.683 62.100 -0.059 0.000 1.146 266 T CB -0.303 68.478 68.868 -0.145 0.000 0.865 266 T HN 0.098 nan 8.240 nan 0.000 0.435 267 L N -0.005 121.173 121.223 -0.076 0.000 1.994 267 L HA -0.113 4.228 4.340 0.002 0.000 0.208 267 L C 2.598 179.523 176.870 0.092 0.000 1.071 267 L CA 1.789 56.535 54.840 -0.158 0.000 0.745 267 L CB -0.726 41.169 42.059 -0.273 0.000 0.892 267 L HN 0.424 nan 8.230 nan 0.000 0.431 268 H N -0.923 118.172 119.070 0.042 0.000 2.352 268 H HA -0.217 4.340 4.556 0.002 0.000 0.299 268 H C 2.581 178.038 175.328 0.215 0.000 1.097 268 H CA 1.364 57.490 56.048 0.131 0.000 1.311 268 H CB 0.297 30.105 29.762 0.076 0.000 1.377 268 H HN 0.245 nan 8.280 nan 0.000 0.504 269 S N -0.711 115.222 115.700 0.388 0.000 2.382 269 S HA -0.150 4.321 4.470 0.002 0.000 0.228 269 S C 2.288 177.198 174.600 0.516 0.000 1.027 269 S CA 1.423 59.901 58.200 0.463 0.000 0.991 269 S CB -0.258 63.326 63.200 0.640 0.000 0.823 269 S HN 0.471 nan 8.310 nan 0.000 0.469 270 S N 1.326 117.347 115.700 0.536 0.000 2.348 270 S HA -0.086 4.385 4.470 0.002 0.000 0.221 270 S C 1.859 176.679 174.600 0.366 0.000 1.033 270 S CA 1.450 59.948 58.200 0.496 0.000 1.010 270 S CB -0.463 63.021 63.200 0.474 0.000 0.891 270 S HN 0.638 nan 8.310 nan 0.000 0.442 271 K N 0.999 121.662 120.400 0.439 0.000 2.001 271 K HA -0.194 4.127 4.320 0.002 0.000 0.214 271 K C 2.121 178.873 176.600 0.252 0.000 1.050 271 K CA 1.504 58.021 56.287 0.384 0.000 0.934 271 K CB -0.174 32.559 32.500 0.388 0.000 0.718 271 K HN 0.180 nan 8.250 nan 0.000 0.443 272 Q N -0.104 119.866 119.800 0.284 0.000 2.297 272 Q HA -0.163 4.178 4.340 0.002 0.000 0.208 272 Q C 2.053 178.154 176.000 0.168 0.000 0.981 272 Q CA 0.979 56.910 55.803 0.213 0.000 0.876 272 Q CB -0.204 28.688 28.738 0.256 0.000 0.921 272 Q HN 0.433 nan 8.270 nan 0.000 0.446 273 M N -0.049 119.672 119.600 0.201 0.000 2.066 273 M HA -0.144 4.337 4.480 0.002 0.000 0.259 273 M C 2.279 178.720 176.300 0.236 0.000 1.074 273 M CA 1.260 56.686 55.300 0.211 0.000 1.114 273 M CB -0.823 31.778 32.600 0.002 0.000 1.306 273 M HN 0.042 nan 8.290 nan 0.000 0.411 274 V N 0.338 120.340 119.914 0.147 0.000 2.261 274 V HA -0.234 3.887 4.120 0.002 0.000 0.246 274 V C 2.636 178.778 176.094 0.080 0.000 1.047 274 V CA 1.868 64.241 62.300 0.122 0.000 1.015 274 V CB -1.923 29.960 31.823 0.099 0.000 0.642 274 V HN 0.539 nan 8.190 nan 0.000 0.446 275 A N -0.115 122.742 122.820 0.061 0.000 1.971 275 A HA -0.205 4.116 4.320 0.002 0.000 0.222 275 A C 2.311 179.861 177.584 -0.058 0.000 1.182 275 A CA 2.562 54.607 52.037 0.014 0.000 0.649 275 A CB -0.723 18.298 19.000 0.034 0.000 0.818 275 A HN 0.419 nan 8.150 nan 0.000 0.458 276 V N -2.779 117.052 119.914 -0.138 0.000 2.992 276 V HA 0.032 4.154 4.120 0.002 0.000 0.250 276 V C 1.506 177.230 176.094 -0.618 0.000 1.090 276 V CA 1.076 63.127 62.300 -0.415 0.000 1.101 276 V CB -0.538 30.910 31.823 -0.625 0.000 0.743 276 V HN 0.531 nan 8.190 nan 0.000 0.468 277 F N -0.542 119.411 119.950 0.004 0.000 2.678 277 F HA 0.233 4.761 4.527 0.002 0.000 0.305 277 F C 2.217 178.021 175.800 0.006 0.000 1.090 277 F CA 0.096 58.096 58.000 0.000 0.000 1.272 277 F CB -0.182 38.815 39.000 -0.005 0.000 1.060 277 F HN -0.065 nan 8.300 nan 0.000 0.576 278 S N 0.445 116.208 115.700 0.104 0.000 2.348 278 S HA -0.206 4.265 4.470 0.002 0.000 0.221 278 S C 1.935 176.572 174.600 0.061 0.000 1.033 278 S CA 1.852 60.099 58.200 0.078 0.000 1.010 278 S CB -0.403 62.825 63.200 0.047 0.000 0.891 278 S HN 0.581 nan 8.310 nan 0.000 0.442 279 D N 0.616 121.034 120.400 0.031 0.000 2.347 279 D HA -0.003 4.638 4.640 0.002 0.000 0.215 279 D C 0.391 176.712 176.300 0.035 0.000 0.976 279 D CA 0.424 54.438 54.000 0.023 0.000 0.884 279 D CB -0.030 40.770 40.800 0.000 0.000 0.915 279 D HN 0.106 nan 8.370 nan 0.000 0.526 280 K N 1.625 122.060 120.400 0.057 0.000 2.187 280 K HA 0.025 4.346 4.320 0.002 0.000 0.247 280 K C 0.343 177.001 176.600 0.097 0.000 1.019 280 K CA -0.500 55.837 56.287 0.083 0.000 0.893 280 K CB 0.116 32.711 32.500 0.159 0.000 1.025 280 K HN -0.046 nan 8.250 nan 0.000 0.500 281 D N 2.164 122.618 120.400 0.089 0.000 2.877 281 D HA -0.123 4.518 4.640 0.002 0.000 0.220 281 D C -1.374 174.992 176.300 0.109 0.000 1.089 281 D CA -0.599 53.454 54.000 0.088 0.000 0.811 281 D CB 0.760 41.619 40.800 0.098 0.000 1.162 281 D HN 0.221 nan 8.370 nan 0.000 0.513 282 P HA -0.237 nan 4.420 nan 0.000 0.214 282 P C 1.500 178.865 177.300 0.109 0.000 1.163 282 P CA 1.428 64.576 63.100 0.081 0.000 0.883 282 P CB 0.040 31.770 31.700 0.051 0.000 0.788 283 Q N 0.130 119.997 119.800 0.111 0.000 2.112 283 Q HA -0.137 4.204 4.340 0.002 0.000 0.206 283 Q C 2.097 178.301 176.000 0.340 0.000 0.987 283 Q CA 2.055 57.945 55.803 0.145 0.000 0.858 283 Q CB -0.440 28.324 28.738 0.043 0.000 0.905 283 Q HN 0.037 nan 8.270 nan 0.000 0.420 284 V N 0.861 121.011 119.914 0.393 0.000 2.270 284 V HA -0.264 3.857 4.120 0.002 0.000 0.245 284 V C 2.392 178.662 176.094 0.293 0.000 1.043 284 V CA 1.835 64.419 62.300 0.473 0.000 1.014 284 V CB -0.621 31.330 31.823 0.212 0.000 0.645 284 V HN 0.503 nan 8.190 nan 0.000 0.447 285 M N 1.028 120.739 119.600 0.184 0.000 2.267 285 M HA -0.181 4.301 4.480 0.002 0.000 0.263 285 M C 1.547 177.880 176.300 0.056 0.000 1.063 285 M CA 1.959 57.324 55.300 0.109 0.000 1.090 285 M CB -0.893 31.782 32.600 0.126 0.000 1.392 285 M HN 0.422 nan 8.290 nan 0.000 0.422 286 D N -1.041 119.414 120.400 0.092 0.000 2.097 286 D HA -0.123 4.518 4.640 0.002 0.000 0.197 286 D C 1.560 177.870 176.300 0.018 0.000 0.984 286 D CA 2.042 56.074 54.000 0.052 0.000 0.826 286 D CB -0.173 40.672 40.800 0.076 0.000 0.973 286 D HN 0.443 nan 8.370 nan 0.000 0.460 287 T N 0.344 114.934 114.554 0.060 0.000 2.759 287 T HA -0.131 4.220 4.350 0.002 0.000 0.269 287 T C 2.099 176.670 174.700 -0.214 0.000 1.042 287 T CA 1.023 63.068 62.100 -0.091 0.000 1.140 287 T CB -0.210 68.521 68.868 -0.229 0.000 0.864 287 T HN 0.206 nan 8.240 nan 0.000 0.455 288 I N 0.649 121.113 120.570 -0.176 0.000 2.133 288 I HA -0.129 4.042 4.170 0.002 0.000 0.238 288 I C 2.790 178.768 176.117 -0.232 0.000 1.074 288 I CA 1.404 62.553 61.300 -0.251 0.000 1.342 288 I CB -0.413 37.400 38.000 -0.313 0.000 1.053 288 I HN 0.216 nan 8.210 nan 0.000 0.404 289 E N 0.689 120.762 120.200 -0.212 0.000 2.086 289 E HA -0.266 4.085 4.350 0.002 0.000 0.200 289 E C 2.267 178.597 176.600 -0.450 0.000 1.012 289 E CA 2.223 58.427 56.400 -0.328 0.000 0.812 289 E CB -0.182 29.397 29.700 -0.202 0.000 0.743 289 E HN 0.491 nan 8.360 nan 0.000 0.453 290 C N -0.286 118.888 119.300 -0.209 0.000 2.453 290 C HA -0.043 4.418 4.460 0.002 0.000 0.277 290 C C 2.350 177.306 174.990 -0.057 0.000 1.262 290 C CA 0.546 59.510 59.018 -0.091 0.000 1.718 290 C CB -1.293 26.461 27.740 0.023 0.000 2.031 290 C HN 0.564 nan 8.230 nan 0.000 0.480 291 F N 1.693 121.502 119.950 -0.235 0.000 2.043 291 F HA -0.263 4.265 4.527 0.002 0.000 0.297 291 F C 2.389 178.132 175.800 -0.095 0.000 1.121 291 F CA 1.988 59.829 58.000 -0.266 0.000 1.199 291 F CB -0.668 38.028 39.000 -0.506 0.000 0.968 291 F HN 0.129 nan 8.300 nan 0.000 0.478 292 M N -0.594 118.825 119.600 -0.302 0.000 2.108 292 M HA -0.314 4.167 4.480 0.002 0.000 0.257 292 M C 2.252 178.668 176.300 0.193 0.000 1.071 292 M CA 2.284 57.450 55.300 -0.223 0.000 1.093 292 M CB -1.019 31.284 32.600 -0.494 0.000 1.345 292 M HN 0.379 nan 8.290 nan 0.000 0.403 293 H N -1.366 117.757 119.070 0.088 0.000 2.307 293 H HA -0.046 4.511 4.556 0.002 0.000 0.303 293 H C 2.306 177.778 175.328 0.240 0.000 1.073 293 H CA 0.789 56.985 56.048 0.247 0.000 1.338 293 H CB -0.321 29.545 29.762 0.174 0.000 1.389 293 H HN 0.475 nan 8.280 nan 0.000 0.503 294 G N 0.090 109.047 108.800 0.261 0.000 2.422 294 G HA2 -0.328 3.633 3.960 0.002 0.000 0.218 294 G HA3 -0.328 3.633 3.960 0.002 0.000 0.218 294 G C 1.450 176.522 174.900 0.285 0.000 1.146 294 G CA 0.740 45.976 45.100 0.227 0.000 0.769 294 G HN 0.360 nan 8.290 nan 0.000 0.547 295 Y N 1.299 121.588 120.300 -0.018 0.000 2.081 295 Y HA -0.190 4.361 4.550 0.002 0.000 0.280 295 Y C 2.960 179.048 175.900 0.313 0.000 1.163 295 Y CA 1.646 59.770 58.100 0.040 0.000 1.135 295 Y CB -0.498 37.802 38.460 -0.266 0.000 0.970 295 Y HN 0.056 nan 8.280 nan 0.000 0.498 296 V N -0.951 119.109 119.914 0.244 0.000 2.295 296 V HA -0.319 3.802 4.120 0.002 0.000 0.246 296 V C 2.265 178.331 176.094 -0.047 0.000 1.049 296 V CA 2.353 64.645 62.300 -0.013 0.000 1.024 296 V CB -1.255 30.447 31.823 -0.202 0.000 0.648 296 V HN 0.436 nan 8.190 nan 0.000 0.447 297 T N -1.020 113.592 114.554 0.097 0.000 2.699 297 T HA -0.291 4.060 4.350 0.002 0.000 0.268 297 T C 1.430 176.235 174.700 0.176 0.000 1.036 297 T CA 2.200 64.394 62.100 0.156 0.000 1.147 297 T CB -0.404 68.634 68.868 0.284 0.000 0.862 297 T HN 0.740 nan 8.240 nan 0.000 0.446 298 W N 1.661 122.978 121.300 0.029 0.000 2.381 298 W HA -0.097 4.564 4.660 0.002 0.000 0.301 298 W C 2.256 178.650 176.519 -0.208 0.000 1.205 298 W CA 0.986 58.257 57.345 -0.123 0.000 1.285 298 W CB -0.640 28.703 29.460 -0.195 0.000 1.133 298 W HN 0.374 nan 8.180 nan 0.000 0.521 299 H N -0.026 118.779 119.070 -0.441 0.000 2.353 299 H HA -0.126 4.431 4.556 0.002 0.000 0.300 299 H C 2.247 177.310 175.328 -0.442 0.000 1.090 299 H CA 2.167 57.752 56.048 -0.771 0.000 1.327 299 H CB -0.606 28.711 29.762 -0.742 0.000 1.383 299 H HN 0.215 nan 8.280 nan 0.000 0.508 300 L N -0.563 120.536 121.223 -0.208 0.000 2.201 300 L HA -0.148 4.193 4.340 0.002 0.000 0.212 300 L C 2.369 179.063 176.870 -0.293 0.000 1.105 300 L CA 0.620 55.301 54.840 -0.263 0.000 0.775 300 L CB -0.002 41.817 42.059 -0.399 0.000 0.913 300 L HN 0.280 nan 8.230 nan 0.000 0.440 301 C N -1.736 117.437 119.300 -0.211 0.000 2.791 301 C HA 0.090 4.551 4.460 0.002 0.000 0.288 301 C C 1.086 176.014 174.990 -0.103 0.000 1.271 301 C CA -0.674 58.262 59.018 -0.137 0.000 1.726 301 C CB -0.196 27.527 27.740 -0.028 0.000 2.145 301 C HN 0.330 nan 8.230 nan 0.000 0.572 302 D N 1.083 121.359 120.400 -0.207 0.000 2.317 302 D HA 0.071 4.712 4.640 0.002 0.000 0.252 302 D C 0.978 177.229 176.300 -0.082 0.000 1.174 302 D CA -0.043 53.844 54.000 -0.187 0.000 0.866 302 D CB 0.681 41.210 40.800 -0.452 0.000 1.127 302 D HN 0.176 nan 8.370 nan 0.000 0.467 303 R N 3.404 123.876 120.500 -0.046 0.000 2.170 303 R HA -0.188 4.153 4.340 0.002 0.000 0.242 303 R C 2.014 178.265 176.300 -0.080 0.000 1.145 303 R CA 0.882 56.969 56.100 -0.021 0.000 0.984 303 R CB -0.573 29.722 30.300 -0.008 0.000 0.869 303 R HN 0.644 nan 8.270 nan 0.000 0.455 304 R N -0.416 119.959 120.500 -0.209 0.000 2.170 304 R HA -0.163 4.178 4.340 0.002 0.000 0.242 304 R C 1.173 177.210 176.300 -0.439 0.000 1.145 304 R CA 1.676 57.556 56.100 -0.367 0.000 0.984 304 R CB -0.611 29.361 30.300 -0.546 0.000 0.869 304 R HN 0.238 nan 8.270 nan 0.000 0.455 305 Y N 0.591 120.828 120.300 -0.105 0.000 2.523 305 Y HA 0.236 4.788 4.550 0.002 0.000 0.279 305 Y C 0.449 176.409 175.900 0.100 0.000 1.139 305 Y CA 0.112 58.198 58.100 -0.023 0.000 1.296 305 Y CB 0.155 38.584 38.460 -0.053 0.000 1.045 305 Y HN -0.018 nan 8.280 nan 0.000 0.538 306 R N -0.149 120.462 120.500 0.185 0.000 3.416 306 R HA -0.232 4.109 4.340 0.002 0.000 0.263 306 R C 0.472 176.966 176.300 0.323 0.000 1.053 306 R CA 0.481 56.718 56.100 0.229 0.000 0.705 306 R CB -2.266 28.151 30.300 0.195 0.000 1.124 306 R HN 0.403 nan 8.270 nan 0.000 0.444 307 L N -0.228 121.172 121.223 0.295 0.000 2.478 307 L HA -0.071 4.270 4.340 0.002 0.000 0.223 307 L C 2.345 179.413 176.870 0.330 0.000 1.140 307 L CA 1.312 56.322 54.840 0.282 0.000 0.842 307 L CB -0.155 42.122 42.059 0.363 0.000 0.953 307 L HN 0.461 nan 8.230 nan 0.000 0.452 308 S N -1.012 114.880 115.700 0.321 0.000 2.453 308 S HA -0.159 4.312 4.470 0.002 0.000 0.231 308 S C 1.626 176.320 174.600 0.157 0.000 1.005 308 S CA 0.654 59.014 58.200 0.267 0.000 0.949 308 S CB -0.119 63.244 63.200 0.272 0.000 0.774 308 S HN 0.450 nan 8.310 nan 0.000 0.510 309 E N 0.954 121.230 120.200 0.126 0.000 2.153 309 E HA -0.018 4.333 4.350 0.002 0.000 0.194 309 E C 1.847 178.430 176.600 -0.029 0.000 0.988 309 E CA 1.320 57.762 56.400 0.070 0.000 0.811 309 E CB -0.269 29.529 29.700 0.163 0.000 0.746 309 E HN 0.607 nan 8.360 nan 0.000 0.466 310 I N -0.010 120.494 120.570 -0.110 0.000 2.233 310 I HA -0.258 3.913 4.170 0.002 0.000 0.243 310 I C 2.308 178.431 176.117 0.011 0.000 1.093 310 I CA 0.886 62.101 61.300 -0.143 0.000 1.380 310 I CB -0.248 37.633 38.000 -0.199 0.000 1.067 310 I HN 0.171 nan 8.210 nan 0.000 0.413 311 Y N 2.047 122.339 120.300 -0.012 0.000 2.193 311 Y HA -0.302 4.249 4.550 0.002 0.000 0.285 311 Y C 2.219 178.057 175.900 -0.103 0.000 1.166 311 Y CA 1.757 59.801 58.100 -0.094 0.000 1.181 311 Y CB -0.185 37.904 38.460 -0.619 0.000 0.976 311 Y HN 0.106 nan 8.280 nan 0.000 0.520 312 E N 0.357 120.497 120.200 -0.100 0.000 2.482 312 E HA -0.070 4.281 4.350 0.002 0.000 0.196 312 E C 1.575 178.095 176.600 -0.134 0.000 1.047 312 E CA 0.607 56.918 56.400 -0.147 0.000 0.869 312 E CB -0.090 29.595 29.700 -0.024 0.000 0.836 312 E HN 0.516 nan 8.360 nan 0.000 0.520 313 K N -0.585 119.745 120.400 -0.116 0.000 2.402 313 K HA 0.075 4.396 4.320 0.002 0.000 0.204 313 K C 0.587 177.131 176.600 -0.093 0.000 1.056 313 K CA 0.638 56.872 56.287 -0.088 0.000 1.069 313 K CB 0.915 33.378 32.500 -0.062 0.000 0.888 313 K HN 0.094 nan 8.250 nan 0.000 0.546 314 V N -2.498 117.342 119.914 -0.123 0.000 3.329 314 V HA 0.265 4.386 4.120 0.002 0.000 0.317 314 V C 1.048 177.073 176.094 -0.115 0.000 1.495 314 V CA -0.390 61.854 62.300 -0.092 0.000 1.105 314 V CB 0.366 32.144 31.823 -0.076 0.000 0.985 314 V HN 0.077 nan 8.190 nan 0.000 0.475 315 K N 1.007 121.256 120.400 -0.252 0.000 2.442 315 K HA -0.018 4.303 4.320 0.002 0.000 0.198 315 K C 1.547 178.048 176.600 -0.166 0.000 1.044 315 K CA 1.847 57.928 56.287 -0.343 0.000 0.948 315 K CB 0.197 32.320 32.500 -0.628 0.000 0.762 315 K HN 0.745 nan 8.250 nan 0.000 0.472 316 E N -0.244 119.890 120.200 -0.111 0.000 2.508 316 E HA 0.030 4.381 4.350 0.002 0.000 0.217 316 E C -0.648 175.930 176.600 -0.036 0.000 0.896 316 E CA -0.147 56.214 56.400 -0.065 0.000 1.118 316 E CB 0.643 30.306 29.700 -0.061 0.000 1.133 316 E HN 0.329 nan 8.360 nan 0.000 0.526 317 E N 1.703 121.883 120.200 -0.033 0.000 2.467 317 E HA -0.045 4.306 4.350 0.002 0.000 0.264 317 E C 0.207 176.804 176.600 -0.005 0.000 1.020 317 E CA 0.614 57.005 56.400 -0.016 0.000 0.945 317 E CB 0.509 30.201 29.700 -0.013 0.000 0.942 317 E HN -0.006 nan 8.360 nan 0.000 0.449 318 K N 1.439 121.839 120.400 -0.000 0.000 2.493 318 K HA 0.104 4.425 4.320 0.002 0.000 0.207 318 K C -0.244 176.363 176.600 0.012 0.000 1.033 318 K CA -0.017 56.274 56.287 0.005 0.000 1.161 318 K CB 0.507 33.008 32.500 0.003 0.000 0.873 318 K HN 0.364 nan 8.250 nan 0.000 0.491 319 T N 1.187 115.750 114.554 0.015 0.000 2.899 319 T HA 0.002 4.353 4.350 0.002 0.000 0.295 319 T C 1.304 176.023 174.700 0.033 0.000 1.033 319 T CA -0.275 61.838 62.100 0.021 0.000 1.084 319 T CB 1.802 70.682 68.868 0.020 0.000 0.979 319 T HN 0.257 nan 8.240 nan 0.000 0.532 320 E N 1.193 121.414 120.200 0.035 0.000 2.051 320 E HA -0.210 4.141 4.350 0.002 0.000 0.192 320 E C 1.183 177.824 176.600 0.068 0.000 0.991 320 E CA 1.372 57.798 56.400 0.044 0.000 0.799 320 E CB 0.106 29.832 29.700 0.043 0.000 0.748 320 E HN 0.565 nan 8.360 nan 0.000 0.449 321 D N 0.202 120.645 120.400 0.073 0.000 2.084 321 D HA -0.165 4.476 4.640 0.002 0.000 0.194 321 D C 1.919 178.299 176.300 0.133 0.000 0.990 321 D CA 1.409 55.470 54.000 0.101 0.000 0.826 321 D CB -0.408 40.431 40.800 0.064 0.000 0.971 321 D HN 0.281 nan 8.370 nan 0.000 0.453 322 A N 1.117 123.987 122.820 0.084 0.000 1.917 322 A HA -0.275 4.046 4.320 0.002 0.000 0.219 322 A C 2.119 179.800 177.584 0.163 0.000 1.182 322 A CA 1.829 53.921 52.037 0.093 0.000 0.633 322 A CB -0.655 18.365 19.000 0.033 0.000 0.819 322 A HN 0.319 nan 8.150 nan 0.000 0.448 323 Q N -1.022 118.847 119.800 0.114 0.000 2.163 323 Q HA -0.041 4.301 4.340 0.002 0.000 0.198 323 Q C 2.004 178.063 176.000 0.098 0.000 0.954 323 Q CA 0.829 56.691 55.803 0.098 0.000 0.851 323 Q CB -0.158 28.608 28.738 0.047 0.000 0.928 323 Q HN 0.474 nan 8.270 nan 0.000 0.459 324 K N 0.751 121.208 120.400 0.095 0.000 2.032 324 K HA -0.156 4.165 4.320 0.002 0.000 0.209 324 K C 1.910 178.590 176.600 0.133 0.000 1.048 324 K CA 1.043 57.343 56.287 0.021 0.000 0.927 324 K CB -0.402 32.166 32.500 0.114 0.000 0.712 324 K HN 0.127 nan 8.250 nan 0.000 0.441 325 F N 1.771 121.829 119.950 0.181 0.000 2.025 325 F HA -0.344 4.184 4.527 0.002 0.000 0.297 325 F C 2.492 178.472 175.800 0.300 0.000 1.132 325 F CA 1.695 59.865 58.000 0.284 0.000 1.191 325 F CB -0.743 38.367 39.000 0.182 0.000 0.963 325 F HN 0.032 nan 8.300 nan 0.000 0.481 326 C N 1.139 120.659 119.300 0.367 0.000 2.403 326 C HA -0.223 4.239 4.460 0.002 0.000 0.277 326 C C 2.684 177.780 174.990 0.177 0.000 1.248 326 C CA 1.395 60.612 59.018 0.332 0.000 1.762 326 C CB -1.295 26.665 27.740 0.367 0.000 2.014 326 C HN 0.493 nan 8.230 nan 0.000 0.486 327 K N 0.290 120.725 120.400 0.059 0.000 2.001 327 K HA -0.166 4.155 4.320 0.002 0.000 0.214 327 K C 1.700 178.288 176.600 -0.020 0.000 1.050 327 K CA 1.720 57.969 56.287 -0.063 0.000 0.934 327 K CB -0.548 31.807 32.500 -0.242 0.000 0.718 327 K HN 0.380 nan 8.250 nan 0.000 0.443 328 F N 0.181 120.160 119.950 0.048 0.000 2.126 328 F HA -0.235 4.293 4.527 0.002 0.000 0.299 328 F C 2.499 178.305 175.800 0.010 0.000 1.096 328 F CA 1.177 59.224 58.000 0.079 0.000 1.255 328 F CB -0.989 38.020 39.000 0.013 0.000 0.997 328 F HN 0.097 nan 8.300 nan 0.000 0.479 329 Y N 1.138 121.385 120.300 -0.089 0.000 2.114 329 Y HA -0.240 4.311 4.550 0.002 0.000 0.284 329 Y C 2.303 178.096 175.900 -0.178 0.000 1.143 329 Y CA 2.026 59.973 58.100 -0.254 0.000 1.135 329 Y CB -0.679 37.501 38.460 -0.467 0.000 0.980 329 Y HN 0.140 nan 8.280 nan 0.000 0.499 330 E N -0.410 119.874 120.200 0.141 0.000 2.204 330 E HA -0.249 4.102 4.350 0.002 0.000 0.195 330 E C 2.127 178.748 176.600 0.034 0.000 0.990 330 E CA 1.239 57.685 56.400 0.077 0.000 0.821 330 E CB -0.122 29.634 29.700 0.093 0.000 0.750 330 E HN 0.663 nan 8.360 nan 0.000 0.477 331 Q N 0.198 120.031 119.800 0.054 0.000 2.016 331 Q HA -0.126 4.215 4.340 0.002 0.000 0.200 331 Q C 2.340 178.355 176.000 0.024 0.000 0.978 331 Q CA 1.312 57.138 55.803 0.038 0.000 0.833 331 Q CB -0.170 28.614 28.738 0.077 0.000 0.895 331 Q HN 0.263 nan 8.270 nan 0.000 0.427 332 A N 1.278 124.135 122.820 0.061 0.000 1.858 332 A HA -0.167 4.155 4.320 0.002 0.000 0.216 332 A C 2.338 179.873 177.584 -0.081 0.000 1.190 332 A CA 1.748 53.799 52.037 0.024 0.000 0.617 332 A CB -1.007 17.955 19.000 -0.063 0.000 0.827 332 A HN 0.411 nan 8.150 nan 0.000 0.443 333 A N 0.258 122.968 122.820 -0.183 0.000 1.892 333 A HA -0.296 4.025 4.320 0.002 0.000 0.218 333 A C 1.960 179.525 177.584 -0.031 0.000 1.188 333 A CA 2.418 54.377 52.037 -0.131 0.000 0.631 333 A CB -0.973 17.972 19.000 -0.091 0.000 0.822 333 A HN 0.645 nan 8.150 nan 0.000 0.447 334 N N -0.226 118.464 118.700 -0.018 0.000 2.037 334 N HA -0.181 4.560 4.740 0.002 0.000 0.196 334 N C 1.383 176.887 175.510 -0.010 0.000 1.034 334 N CA 2.600 55.648 53.050 -0.002 0.000 0.861 334 N CB -0.245 38.240 38.487 -0.004 0.000 1.039 334 N HN 0.272 nan 8.380 nan 0.000 0.427 335 V N -1.785 118.111 119.914 -0.030 0.000 2.685 335 V HA 0.275 4.396 4.120 0.002 0.000 0.244 335 V C 2.200 178.246 176.094 -0.081 0.000 1.054 335 V CA 1.488 63.748 62.300 -0.066 0.000 1.076 335 V CB -0.636 31.125 31.823 -0.105 0.000 0.725 335 V HN 0.401 nan 8.190 nan 0.000 0.467 336 G N 0.068 108.861 108.800 -0.011 0.000 2.510 336 G HA2 0.197 4.158 3.960 0.002 0.000 0.212 336 G HA3 0.197 4.158 3.960 0.002 0.000 0.212 336 G C 0.994 176.011 174.900 0.196 0.000 1.151 336 G CA 0.515 45.709 45.100 0.157 0.000 0.817 336 G HN 0.601 nan 8.290 nan 0.000 0.534 337 A N 0.881 123.754 122.820 0.089 0.000 2.594 337 A HA 0.479 4.800 4.320 0.002 0.000 0.291 337 A C -0.438 177.222 177.584 0.127 0.000 1.374 337 A CA 0.215 52.306 52.037 0.090 0.000 1.025 337 A CB -0.413 18.618 19.000 0.052 0.000 1.072 337 A HN 0.250 nan 8.150 nan 0.000 0.555 338 V N 2.925 122.948 119.914 0.182 0.000 2.487 338 V HA 0.307 4.428 4.120 0.002 0.000 0.298 338 V C 0.689 176.966 176.094 0.304 0.000 1.028 338 V CA -0.616 61.820 62.300 0.227 0.000 0.860 338 V CB 1.705 33.668 31.823 0.234 0.000 0.991 338 V HN 0.850 nan 8.190 nan 0.000 0.427 339 S N 5.797 121.640 115.700 0.238 0.000 2.537 339 S HA 0.148 4.619 4.470 0.002 0.000 0.286 339 S C -1.279 173.449 174.600 0.214 0.000 1.299 339 S CA -0.619 57.693 58.200 0.186 0.000 1.067 339 S CB 0.997 64.263 63.200 0.111 0.000 0.864 339 S HN 0.625 nan 8.310 nan 0.000 0.494 340 P HA -0.116 nan 4.420 nan 0.000 0.219 340 P C 1.611 178.627 177.300 -0.473 0.000 1.146 340 P CA 1.253 64.104 63.100 -0.415 0.000 0.808 340 P CB -0.079 31.414 31.700 -0.346 0.000 0.779 341 S N -0.284 115.322 115.700 -0.156 0.000 2.419 341 S HA -0.208 4.263 4.470 0.002 0.000 0.235 341 S C 1.785 176.412 174.600 0.045 0.000 1.019 341 S CA 1.198 59.353 58.200 -0.074 0.000 0.982 341 S CB -1.136 62.041 63.200 -0.040 0.000 0.789 341 S HN 0.263 nan 8.310 nan 0.000 0.490 342 E N -0.028 120.251 120.200 0.131 0.000 2.347 342 E HA -0.022 4.329 4.350 0.002 0.000 0.196 342 E C 1.578 178.476 176.600 0.497 0.000 1.008 342 E CA 1.125 57.705 56.400 0.299 0.000 0.852 342 E CB -0.053 29.851 29.700 0.340 0.000 0.783 342 E HN 0.991 nan 8.360 nan 0.000 0.505 343 W N -1.644 119.788 121.300 0.220 0.000 3.900 343 W HA 0.417 5.078 4.660 0.002 0.000 0.186 343 W C 0.253 176.660 176.519 -0.187 0.000 1.082 343 W CA -0.048 57.378 57.345 0.136 0.000 1.537 343 W CB -0.129 29.406 29.460 0.125 0.000 0.639 343 W HN -0.152 nan 8.180 nan 0.000 0.912 344 A N 2.807 124.920 122.820 -1.177 0.000 2.805 344 A HA 0.487 4.808 4.320 0.002 0.000 0.301 344 A C -1.112 175.902 177.584 -0.951 0.000 1.557 344 A CA 0.326 51.309 52.037 -1.757 0.000 1.254 344 A CB -1.736 16.084 19.000 -1.966 0.000 1.114 344 A HN 0.462 nan 8.150 nan 0.000 0.553 345 Y N 0.311 120.303 120.300 -0.513 0.000 2.565 345 Y HA 0.719 5.271 4.550 0.002 0.000 0.330 345 Y C -3.289 172.723 175.900 0.185 0.000 1.150 345 Y CA -2.778 55.269 58.100 -0.087 0.000 1.055 345 Y CB 0.638 39.063 38.460 -0.058 0.000 1.337 345 Y HN 0.308 nan 8.280 nan 0.000 0.457 346 P HA 0.363 nan 4.420 nan 0.000 0.279 346 P C -2.782 174.629 177.300 0.185 0.000 1.276 346 P CA -1.733 61.510 63.100 0.238 0.000 0.801 346 P CB 1.005 32.806 31.700 0.168 0.000 1.127 347 P HA -0.027 nan 4.420 nan 0.000 0.269 347 P C 1.251 178.590 177.300 0.064 0.000 1.215 347 P CA -0.008 63.154 63.100 0.103 0.000 0.780 347 P CB 0.575 32.297 31.700 0.037 0.000 0.898 348 V N 2.523 122.466 119.914 0.049 0.000 2.380 348 V HA -0.309 3.812 4.120 0.002 0.000 0.251 348 V C 2.701 178.775 176.094 -0.033 0.000 1.063 348 V CA 2.765 65.046 62.300 -0.031 0.000 1.055 348 V CB -1.845 29.953 31.823 -0.042 0.000 0.657 348 V HN 0.691 nan 8.190 nan 0.000 0.455 349 A N -0.417 122.394 122.820 -0.016 0.000 1.908 349 A HA -0.355 3.966 4.320 0.002 0.000 0.218 349 A C 2.306 179.881 177.584 -0.016 0.000 1.181 349 A CA 2.361 54.388 52.037 -0.017 0.000 0.627 349 A CB -0.604 18.387 19.000 -0.014 0.000 0.818 349 A HN 0.636 nan 8.150 nan 0.000 0.445 350 Q N -0.565 119.230 119.800 -0.009 0.000 2.167 350 Q HA -0.070 4.271 4.340 0.002 0.000 0.202 350 Q C 1.917 177.906 176.000 -0.019 0.000 0.970 350 Q CA 1.223 57.023 55.803 -0.005 0.000 0.855 350 Q CB -0.201 28.543 28.738 0.011 0.000 0.911 350 Q HN 0.683 nan 8.270 nan 0.000 0.438 351 L N 0.085 121.278 121.223 -0.050 0.000 2.156 351 L HA -0.078 4.263 4.340 0.002 0.000 0.208 351 L C 2.488 179.322 176.870 -0.061 0.000 1.095 351 L CA 0.752 55.536 54.840 -0.094 0.000 0.770 351 L CB -0.461 41.461 42.059 -0.228 0.000 0.914 351 L HN 0.304 nan 8.230 nan 0.000 0.439 352 A N 0.051 122.844 122.820 -0.046 0.000 1.969 352 A HA -0.200 4.121 4.320 0.002 0.000 0.218 352 A C 1.953 179.527 177.584 -0.016 0.000 1.169 352 A CA 1.708 53.727 52.037 -0.030 0.000 0.635 352 A CB -0.604 18.382 19.000 -0.025 0.000 0.810 352 A HN 0.514 nan 8.150 nan 0.000 0.445 353 N N -0.478 118.215 118.700 -0.012 0.000 2.354 353 N HA 0.034 4.775 4.740 0.002 0.000 0.179 353 N C 0.398 175.909 175.510 0.001 0.000 1.021 353 N CA 0.210 53.257 53.050 -0.005 0.000 0.887 353 N CB 0.038 38.523 38.487 -0.003 0.000 0.974 353 N HN 0.280 nan 8.380 nan 0.000 0.437 354 V N 0.000 119.915 119.914 0.002 0.000 2.409 354 V HA 0.000 4.121 4.120 0.002 0.000 0.244 354 V CA 0.000 62.307 62.300 0.012 0.000 1.235 354 V CB 0.000 31.835 31.823 0.020 0.000 1.184 354 V HN 0.000 nan 8.190 nan 0.000 0.556