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 2r0t_1_A DATA FIRST_RESID 3 DATA SEQUENCE NYPLASSTWD DLEYKAIQSV LDSKMFTMGE YVKQYETQFA KTFGSKYAVM DATA SEQUENCE VSSGSTANLL MIAALFFTKK PRLKKGDEII VPAVSWSTTY YPLQQYGLRV DATA SEQUENCE KFVDIDINTL NIDIESLKEA VTDSTKAILT VNLLGNPNNF DEINKIIGGR DATA SEQUENCE DIILLEDNCE SMGATFNNKC AGTFGLMGTF SSFYSKHIAT MEGGCIVTDD DATA SEQUENCE EEIYHILLCI RAHGWTRNLP KKNKVTGVKS DDQFEESFKF VLPGYNVRPL DATA SEQUENCE EMSGAIGIEQ LKKLPRFISV RRKNAEYFLD KFKDHPYLDV QQETGESSWF DATA SEQUENCE GFSFIIKKDS GVIRKQLVEN LNSAGIECRP IVTGNFLKNT DVLKYFDYTV DATA SEQUENCE HNNVDNAEYL DKNGLFVGNH QIELFDEIDY LREVLK 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 0.000 175.637 175.510 0.212 0.000 1.280 3 N CA 0.000 53.133 53.050 0.138 0.000 0.885 3 N CB 0.000 38.600 38.487 0.188 0.000 1.341 4 Y N 3.917 124.279 120.300 0.104 0.000 2.594 4 Y HA 0.510 3.715 4.550 -2.242 0.000 0.338 4 Y C -2.697 173.266 175.900 0.105 0.000 1.019 4 Y CA -1.876 56.293 58.100 0.115 0.000 1.306 4 Y CB 1.606 40.164 38.460 0.163 0.000 1.094 4 Y HN 0.051 nan 8.280 nan 0.000 0.534 5 P HA 0.183 nan 4.420 nan 0.000 0.278 5 P C 0.219 177.714 177.300 0.324 0.000 1.266 5 P CA -0.371 62.888 63.100 0.265 0.000 0.807 5 P CB 2.203 34.002 31.700 0.165 0.000 1.094 6 L N -0.607 120.718 121.223 0.170 0.000 2.418 6 L HA 0.192 3.188 4.340 -2.241 0.000 0.218 6 L C 1.082 178.065 176.870 0.188 0.000 1.125 6 L CA 0.714 55.605 54.840 0.086 0.000 0.835 6 L CB -0.221 41.892 42.059 0.089 0.000 0.953 6 L HN 0.400 nan 8.230 nan 0.000 0.454 7 A N -0.743 122.243 122.820 0.276 0.000 2.374 7 A HA 0.657 3.632 4.320 -2.241 0.000 0.305 7 A C -0.380 177.136 177.584 -0.112 0.000 1.053 7 A CA -0.357 51.785 52.037 0.174 0.000 0.726 7 A CB 1.343 20.410 19.000 0.112 0.000 1.229 7 A HN 0.046 nan 8.150 nan 0.000 0.431 8 S N 1.306 116.770 115.700 -0.392 0.000 2.634 8 S HA 0.783 3.908 4.470 -2.241 0.000 0.296 8 S C -0.065 174.296 174.600 -0.398 0.000 1.104 8 S CA -0.336 57.580 58.200 -0.474 0.000 0.920 8 S CB 1.717 64.455 63.200 -0.770 0.000 1.111 8 S HN 1.165 nan 8.310 nan 0.000 0.493 9 S N 0.256 115.785 115.700 -0.286 0.000 2.565 9 S HA 0.426 3.552 4.470 -2.241 0.000 0.276 9 S C 1.208 175.659 174.600 -0.247 0.000 1.326 9 S CA 0.065 58.087 58.200 -0.297 0.000 1.045 9 S CB 0.414 63.527 63.200 -0.145 0.000 0.918 9 S HN 0.964 nan 8.310 nan 0.000 0.505 10 T N 1.149 115.562 114.554 -0.234 0.000 3.040 10 T HA 0.237 3.243 4.350 -2.241 0.000 0.250 10 T C 0.301 175.231 174.700 0.383 0.000 1.058 10 T CA -0.445 61.644 62.100 -0.019 0.000 0.988 10 T CB -0.087 68.789 68.868 0.013 0.000 0.993 10 T HN 0.470 nan 8.240 nan 0.000 0.519 11 W N 3.485 124.827 121.300 0.069 0.000 2.166 11 W HA 0.604 3.929 4.660 -2.224 0.000 0.364 11 W C 0.284 176.902 176.519 0.165 0.000 1.344 11 W CA -1.135 56.279 57.345 0.115 0.000 1.471 11 W CB 0.339 29.835 29.460 0.059 0.000 1.220 11 W HN 0.325 nan 8.180 nan 0.000 0.666 12 D N -2.131 118.535 120.400 0.443 0.000 2.895 12 D HA 0.101 3.396 4.640 -2.241 0.000 0.320 12 D C 0.459 176.977 176.300 0.364 0.000 1.249 12 D CA -0.414 53.781 54.000 0.326 0.000 0.997 12 D CB 0.300 41.218 40.800 0.197 0.000 1.430 12 D HN 0.161 nan 8.370 nan 0.000 0.558 13 D N -0.295 120.235 120.400 0.217 0.000 2.133 13 D HA -0.112 3.183 4.640 -2.241 0.000 0.195 13 D C 2.131 178.535 176.300 0.173 0.000 0.997 13 D CA 1.298 55.405 54.000 0.177 0.000 0.840 13 D CB -0.002 40.844 40.800 0.077 0.000 0.947 13 D HN 0.338 nan 8.370 nan 0.000 0.452 14 L N 0.740 122.013 121.223 0.084 0.000 2.013 14 L HA -0.220 2.775 4.340 -2.241 0.000 0.212 14 L C 2.426 179.218 176.870 -0.131 0.000 1.073 14 L CA 1.349 56.183 54.840 -0.011 0.000 0.753 14 L CB -0.650 41.398 42.059 -0.019 0.000 0.890 14 L HN -0.071 nan 8.230 nan 0.000 0.432 15 E N -0.467 119.582 120.200 -0.252 0.000 2.077 15 E HA -0.199 2.806 4.350 -2.241 0.000 0.193 15 E C 2.025 178.236 176.600 -0.648 0.000 0.989 15 E CA 1.358 57.344 56.400 -0.690 0.000 0.800 15 E CB -0.343 28.476 29.700 -1.469 0.000 0.746 15 E HN 0.437 nan 8.360 nan 0.000 0.452 16 Y N 1.027 121.175 120.300 -0.253 0.000 2.181 16 Y HA -0.169 3.039 4.550 -2.238 0.000 0.288 16 Y C 2.044 177.873 175.900 -0.119 0.000 1.146 16 Y CA 1.242 59.261 58.100 -0.136 0.000 1.164 16 Y CB -0.119 38.328 38.460 -0.022 0.000 0.982 16 Y HN -0.058 nan 8.280 nan 0.000 0.515 17 K N -0.154 120.264 120.400 0.029 0.000 2.057 17 K HA -0.154 2.821 4.320 -2.241 0.000 0.207 17 K C 2.410 178.960 176.600 -0.082 0.000 1.049 17 K CA 1.094 57.376 56.287 -0.008 0.000 0.931 17 K CB -0.444 32.053 32.500 -0.004 0.000 0.714 17 K HN 0.293 nan 8.250 nan 0.000 0.440 18 A N 1.604 124.323 122.820 -0.168 0.000 1.940 18 A HA -0.163 2.812 4.320 -2.241 0.000 0.219 18 A C 2.125 179.546 177.584 -0.271 0.000 1.176 18 A CA 1.316 53.200 52.037 -0.255 0.000 0.631 18 A CB -0.576 18.229 19.000 -0.325 0.000 0.814 18 A HN 0.182 nan 8.150 nan 0.000 0.446 19 I N -0.931 119.496 120.570 -0.238 0.000 2.226 19 I HA -0.257 2.569 4.170 -2.241 0.000 0.245 19 I C 2.781 178.863 176.117 -0.058 0.000 1.100 19 I CA 1.138 62.341 61.300 -0.161 0.000 1.374 19 I CB -0.248 37.654 38.000 -0.162 0.000 1.057 19 I HN 0.288 nan 8.210 nan 0.000 0.413 20 Q N 0.544 120.327 119.800 -0.027 0.000 2.061 20 Q HA -0.180 2.815 4.340 -2.241 0.000 0.204 20 Q C 2.462 178.470 176.000 0.013 0.000 0.984 20 Q CA 1.988 57.800 55.803 0.016 0.000 0.846 20 Q CB -0.522 28.231 28.738 0.025 0.000 0.902 20 Q HN 0.441 nan 8.270 nan 0.000 0.421 21 S N 0.068 115.754 115.700 -0.023 0.000 2.372 21 S HA -0.146 2.980 4.470 -2.241 0.000 0.227 21 S C 2.120 176.739 174.600 0.032 0.000 1.044 21 S CA 1.490 59.692 58.200 0.004 0.000 1.050 21 S CB -0.426 62.745 63.200 -0.049 0.000 0.901 21 S HN 0.171 nan 8.310 nan 0.000 0.447 22 V N 1.984 121.869 119.914 -0.048 0.000 2.358 22 V HA -0.115 2.660 4.120 -2.241 0.000 0.246 22 V C 2.215 178.367 176.094 0.097 0.000 1.047 22 V CA 1.345 63.660 62.300 0.024 0.000 1.035 22 V CB -0.683 31.108 31.823 -0.053 0.000 0.658 22 V HN 0.415 nan 8.190 nan 0.000 0.452 23 L N -0.149 121.158 121.223 0.141 0.000 1.990 23 L HA -0.244 2.751 4.340 -2.241 0.000 0.213 23 L C 2.382 179.332 176.870 0.133 0.000 1.072 23 L CA 1.965 56.945 54.840 0.232 0.000 0.755 23 L CB -0.874 41.280 42.059 0.159 0.000 0.889 23 L HN 0.356 nan 8.230 nan 0.000 0.432 24 D N -0.480 119.967 120.400 0.078 0.000 2.263 24 D HA -0.136 3.159 4.640 -2.241 0.000 0.208 24 D C 2.313 178.621 176.300 0.013 0.000 0.971 24 D CA 1.506 55.536 54.000 0.049 0.000 0.867 24 D CB -0.002 40.825 40.800 0.045 0.000 0.929 24 D HN 0.397 nan 8.370 nan 0.000 0.492 25 S N 0.117 115.814 115.700 -0.006 0.000 2.414 25 S HA -0.084 3.041 4.470 -2.241 0.000 0.227 25 S C 0.982 175.477 174.600 -0.175 0.000 1.022 25 S CA 0.379 58.547 58.200 -0.053 0.000 0.958 25 S CB -0.031 63.172 63.200 0.005 0.000 0.797 25 S HN 0.143 nan 8.310 nan 0.000 0.493 26 K N 0.477 120.675 120.400 -0.337 0.000 3.160 26 K HA -0.095 2.880 4.320 -2.241 0.000 0.280 26 K C -0.773 175.380 176.600 -0.746 0.000 1.154 26 K CA 1.191 57.122 56.287 -0.592 0.000 0.822 26 K CB -1.752 30.639 32.500 -0.180 0.000 1.239 26 K HN 0.464 nan 8.250 nan 0.000 0.489 27 M N 0.348 119.503 119.600 -0.742 0.000 2.022 27 M HA 0.286 3.421 4.480 -2.241 0.000 0.298 27 M C -0.175 175.886 176.300 -0.398 0.000 0.909 27 M CA -0.160 54.883 55.300 -0.428 0.000 0.914 27 M CB 0.460 32.952 32.600 -0.181 0.000 1.486 27 M HN -0.014 nan 8.290 nan 0.000 0.415 28 F N 0.268 120.261 119.950 0.072 0.000 2.505 28 F HA 0.037 3.231 4.527 -2.221 0.000 0.289 28 F C 1.917 177.760 175.800 0.073 0.000 1.101 28 F CA 0.010 58.052 58.000 0.069 0.000 1.446 28 F CB 0.199 39.232 39.000 0.054 0.000 1.123 28 F HN 0.421 nan 8.300 nan 0.000 0.564 29 T N -0.817 113.879 114.554 0.236 0.000 2.882 29 T HA 0.162 3.167 4.350 -2.241 0.000 0.287 29 T C 0.212 174.997 174.700 0.141 0.000 1.014 29 T CA -0.898 61.309 62.100 0.177 0.000 1.049 29 T CB 1.076 70.046 68.868 0.169 0.000 1.001 29 T HN 0.165 nan 8.240 nan 0.000 0.525 30 M N 2.778 122.458 119.600 0.134 0.000 2.508 30 M HA 0.081 3.217 4.480 -2.241 0.000 0.447 30 M C 0.483 176.850 176.300 0.112 0.000 1.654 30 M CA 0.972 56.346 55.300 0.124 0.000 0.944 30 M CB -1.124 31.548 32.600 0.121 0.000 2.088 30 M HN 1.074 nan 8.290 nan 0.000 0.506 31 G N 3.562 112.425 108.800 0.105 0.000 3.354 31 G HA2 0.199 2.815 3.960 -2.241 0.000 0.174 31 G HA3 0.199 2.815 3.960 -2.241 0.000 0.174 31 G C 0.122 175.046 174.900 0.040 0.000 1.140 31 G CA -0.253 44.884 45.100 0.062 0.000 0.897 31 G HN 0.534 nan 8.290 nan 0.000 0.685 32 E N 0.104 120.273 120.200 -0.052 0.000 2.021 32 E HA -0.110 2.895 4.350 -2.241 0.000 0.200 32 E C 2.199 178.751 176.600 -0.079 0.000 1.015 32 E CA 1.558 57.870 56.400 -0.147 0.000 0.824 32 E CB -0.697 28.772 29.700 -0.386 0.000 0.762 32 E HN 0.486 nan 8.360 nan 0.000 0.454 33 Y N 0.473 120.799 120.300 0.043 0.000 2.081 33 Y HA -0.204 4.347 4.550 0.001 0.000 0.280 33 Y C 2.616 178.581 175.900 0.110 0.000 1.163 33 Y CA 1.066 59.203 58.100 0.060 0.000 1.135 33 Y CB -1.133 37.343 38.460 0.026 0.000 0.970 33 Y HN -0.124 nan 8.280 nan 0.000 0.498 34 V N 0.278 120.343 119.914 0.252 0.000 2.252 34 V HA -0.330 2.446 4.120 -2.241 0.000 0.249 34 V C 2.533 178.768 176.094 0.236 0.000 1.056 34 V CA 2.266 64.701 62.300 0.225 0.000 1.022 34 V CB -0.582 31.338 31.823 0.162 0.000 0.641 34 V HN 0.262 nan 8.190 nan 0.000 0.445 35 K N 0.164 120.661 120.400 0.162 0.000 2.063 35 K HA -0.190 2.785 4.320 -2.241 0.000 0.208 35 K C 2.188 178.863 176.600 0.125 0.000 1.048 35 K CA 1.684 58.050 56.287 0.132 0.000 0.928 35 K CB -0.592 31.959 32.500 0.086 0.000 0.713 35 K HN 0.625 nan 8.250 nan 0.000 0.442 36 Q N -1.284 118.589 119.800 0.122 0.000 2.050 36 Q HA -0.206 2.790 4.340 -2.241 0.000 0.202 36 Q C 2.046 178.135 176.000 0.148 0.000 0.980 36 Q CA 1.852 57.722 55.803 0.112 0.000 0.840 36 Q CB -0.456 28.355 28.738 0.121 0.000 0.898 36 Q HN 0.409 nan 8.270 nan 0.000 0.424 37 Y N 2.072 122.436 120.300 0.106 0.000 2.151 37 Y HA -0.259 2.936 4.550 -2.257 0.000 0.284 37 Y C 1.807 177.782 175.900 0.126 0.000 1.166 37 Y CA 1.889 60.057 58.100 0.113 0.000 1.163 37 Y CB -0.049 38.475 38.460 0.107 0.000 0.974 37 Y HN 0.114 nan 8.280 nan 0.000 0.511 38 E N -0.984 119.232 120.200 0.025 0.000 2.153 38 E HA -0.175 2.830 4.350 -2.241 0.000 0.194 38 E C 2.040 178.629 176.600 -0.019 0.000 0.988 38 E CA 1.741 58.123 56.400 -0.031 0.000 0.811 38 E CB -0.155 29.603 29.700 0.097 0.000 0.746 38 E HN 0.489 nan 8.360 nan 0.000 0.466 39 T N 0.816 115.370 114.554 -0.001 0.000 2.737 39 T HA -0.151 2.855 4.350 -2.241 0.000 0.265 39 T C 1.789 176.456 174.700 -0.056 0.000 1.038 39 T CA 0.855 62.946 62.100 -0.016 0.000 1.144 39 T CB -0.126 68.743 68.868 0.001 0.000 0.866 39 T HN 0.003 nan 8.240 nan 0.000 0.434 40 Q N 0.347 120.104 119.800 -0.072 0.000 2.061 40 Q HA -0.024 2.971 4.340 -2.241 0.000 0.204 40 Q C 1.990 177.896 176.000 -0.157 0.000 0.984 40 Q CA 1.405 57.141 55.803 -0.112 0.000 0.846 40 Q CB -0.889 27.798 28.738 -0.086 0.000 0.902 40 Q HN 0.556 nan 8.270 nan 0.000 0.421 41 F N 0.538 120.276 119.950 -0.354 0.000 2.095 41 F HA -0.265 2.915 4.527 -2.245 0.000 0.298 41 F C 2.090 177.820 175.800 -0.116 0.000 1.104 41 F CA 1.631 59.464 58.000 -0.278 0.000 1.232 41 F CB -0.312 38.429 39.000 -0.431 0.000 0.987 41 F HN 0.111 nan 8.300 nan 0.000 0.475 42 A N 0.017 122.880 122.820 0.071 0.000 1.877 42 A HA -0.203 2.772 4.320 -2.241 0.000 0.216 42 A C 2.232 179.750 177.584 -0.109 0.000 1.186 42 A CA 1.829 53.869 52.037 0.005 0.000 0.620 42 A CB -0.683 18.293 19.000 -0.041 0.000 0.822 42 A HN 0.407 nan 8.150 nan 0.000 0.443 43 K N -0.821 119.492 120.400 -0.144 0.000 2.032 43 K HA -0.130 2.845 4.320 -2.241 0.000 0.209 43 K C 2.134 178.579 176.600 -0.259 0.000 1.048 43 K CA 1.839 58.021 56.287 -0.176 0.000 0.927 43 K CB -0.581 31.826 32.500 -0.156 0.000 0.712 43 K HN 0.491 nan 8.250 nan 0.000 0.441 44 T N 0.800 115.126 114.554 -0.381 0.000 2.699 44 T HA -0.144 2.861 4.350 -2.241 0.000 0.268 44 T C 1.402 175.617 174.700 -0.808 0.000 1.036 44 T CA 1.541 63.240 62.100 -0.668 0.000 1.147 44 T CB -0.214 68.073 68.868 -0.969 0.000 0.862 44 T HN 0.150 nan 8.240 nan 0.000 0.446 45 F N 0.150 119.886 119.950 -0.357 0.000 2.695 45 F HA 0.441 3.621 4.527 -2.245 0.000 0.303 45 F C 1.711 177.391 175.800 -0.201 0.000 1.091 45 F CA -0.151 57.678 58.000 -0.286 0.000 1.300 45 F CB 0.080 38.864 39.000 -0.359 0.000 1.071 45 F HN 0.252 nan 8.300 nan 0.000 0.578 46 G N 1.393 110.138 108.800 -0.092 0.000 2.204 46 G HA2 -0.199 2.416 3.960 -2.241 0.000 0.244 46 G HA3 -0.199 2.416 3.960 -2.241 0.000 0.244 46 G C 0.033 174.872 174.900 -0.102 0.000 1.062 46 G CA 0.175 45.212 45.100 -0.106 0.000 0.798 46 G HN 0.531 nan 8.290 nan 0.000 0.496 47 S N -1.428 114.221 115.700 -0.085 0.000 2.664 47 S HA 0.759 3.884 4.470 -2.241 0.000 0.304 47 S C 1.192 175.669 174.600 -0.205 0.000 1.099 47 S CA -0.325 57.812 58.200 -0.106 0.000 1.003 47 S CB 2.082 65.267 63.200 -0.025 0.000 1.092 47 S HN 0.141 nan 8.310 nan 0.000 0.525 48 K N -0.196 120.001 120.400 -0.338 0.000 2.103 48 K HA 0.062 3.037 4.320 -2.241 0.000 0.204 48 K C -0.360 175.730 176.600 -0.851 0.000 1.052 48 K CA 1.202 57.084 56.287 -0.674 0.000 0.945 48 K CB -0.163 31.730 32.500 -1.012 0.000 0.722 48 K HN 0.678 nan 8.250 nan 0.000 0.443 49 Y N -0.684 119.464 120.300 -0.253 0.000 2.536 49 Y HA 0.552 3.755 4.550 -2.245 0.000 0.347 49 Y C -0.389 175.404 175.900 -0.178 0.000 1.000 49 Y CA -1.403 56.452 58.100 -0.409 0.000 1.051 49 Y CB 2.177 40.179 38.460 -0.763 0.000 1.259 49 Y HN -0.124 nan 8.280 nan 0.000 0.468 50 A N 1.153 124.006 122.820 0.056 0.000 2.520 50 A HA 0.835 3.810 4.320 -2.241 0.000 0.298 50 A C -2.003 175.664 177.584 0.139 0.000 1.051 50 A CA -0.691 51.408 52.037 0.104 0.000 0.690 50 A CB 1.498 20.558 19.000 0.100 0.000 1.281 50 A HN 0.467 nan 8.150 nan 0.000 0.402 51 V N 3.008 122.991 119.914 0.115 0.000 2.577 51 V HA 0.454 3.230 4.120 -2.241 0.000 0.303 51 V C -0.160 175.965 176.094 0.051 0.000 1.042 51 V CA -0.320 62.069 62.300 0.148 0.000 0.872 51 V CB 1.789 33.731 31.823 0.198 0.000 0.998 51 V HN 0.989 nan 8.190 nan 0.000 0.423 52 M N 6.567 126.207 119.600 0.068 0.000 2.180 52 M HA 0.638 3.774 4.480 -2.241 0.000 0.358 52 M C -0.510 175.817 176.300 0.044 0.000 1.233 52 M CA -0.159 55.171 55.300 0.049 0.000 1.114 52 M CB 1.131 33.811 32.600 0.134 0.000 1.594 52 M HN 0.681 nan 8.290 nan 0.000 0.467 53 V N 1.783 121.709 119.914 0.021 0.000 3.182 53 V HA 0.604 3.379 4.120 -2.241 0.000 0.311 53 V C 0.748 176.852 176.094 0.016 0.000 1.221 53 V CA 0.039 62.347 62.300 0.014 0.000 1.060 53 V CB 1.035 32.857 31.823 -0.002 0.000 1.164 53 V HN 0.938 nan 8.190 nan 0.000 0.466 54 S N -0.138 115.567 115.700 0.008 0.000 2.474 54 S HA 0.132 3.257 4.470 -2.241 0.000 0.235 54 S C 0.752 175.373 174.600 0.035 0.000 0.997 54 S CA 0.643 58.855 58.200 0.020 0.000 0.949 54 S CB -0.864 62.342 63.200 0.010 0.000 0.766 54 S HN 2.132 nan 8.310 nan 0.000 0.517 55 S N -2.229 113.486 115.700 0.025 0.000 2.627 55 S HA 0.602 3.728 4.470 -2.241 0.000 0.268 55 S C 0.739 175.348 174.600 0.016 0.000 1.130 55 S CA -0.481 57.742 58.200 0.037 0.000 0.819 55 S CB 0.579 63.791 63.200 0.019 0.000 1.100 55 S HN 0.301 nan 8.310 nan 0.000 0.465 56 G N 0.878 109.683 108.800 0.009 0.000 2.471 56 G HA2 -0.004 2.611 3.960 -2.241 0.000 0.219 56 G HA3 -0.004 2.611 3.960 -2.241 0.000 0.219 56 G C 1.170 176.051 174.900 -0.032 0.000 1.125 56 G CA 1.064 46.157 45.100 -0.012 0.000 0.775 56 G HN 0.707 nan 8.290 nan 0.000 0.548 57 S N 0.461 116.144 115.700 -0.028 0.000 2.355 57 S HA -0.131 2.994 4.470 -2.241 0.000 0.222 57 S C 2.737 177.320 174.600 -0.028 0.000 1.031 57 S CA 1.883 60.081 58.200 -0.003 0.000 0.993 57 S CB -0.467 62.755 63.200 0.037 0.000 0.859 57 S HN 0.687 nan 8.310 nan 0.000 0.453 58 T N 0.424 114.952 114.554 -0.045 0.000 3.035 58 T HA 0.190 3.196 4.350 -2.241 0.000 0.268 58 T C 1.710 176.366 174.700 -0.073 0.000 1.109 58 T CA 0.898 62.943 62.100 -0.090 0.000 1.119 58 T CB -0.278 68.528 68.868 -0.104 0.000 0.900 58 T HN 0.301 nan 8.240 nan 0.000 0.503 59 A N 2.496 125.293 122.820 -0.038 0.000 1.897 59 A HA -0.021 2.954 4.320 -2.241 0.000 0.215 59 A C 2.377 179.941 177.584 -0.033 0.000 1.181 59 A CA 1.248 53.273 52.037 -0.019 0.000 0.620 59 A CB -0.676 18.328 19.000 0.007 0.000 0.821 59 A HN 0.467 nan 8.150 nan 0.000 0.443 60 N N -0.135 118.538 118.700 -0.046 0.000 2.166 60 N HA -0.121 3.274 4.740 -2.241 0.000 0.186 60 N C 1.547 177.024 175.510 -0.055 0.000 1.019 60 N CA 1.290 54.306 53.050 -0.057 0.000 0.856 60 N CB -0.539 37.906 38.487 -0.069 0.000 0.993 60 N HN 0.409 nan 8.380 nan 0.000 0.426 61 L N 1.106 122.291 121.223 -0.064 0.000 1.976 61 L HA -0.040 2.955 4.340 -2.241 0.000 0.209 61 L C 1.940 178.757 176.870 -0.090 0.000 1.071 61 L CA 1.438 56.231 54.840 -0.078 0.000 0.746 61 L CB -0.644 41.311 42.059 -0.173 0.000 0.890 61 L HN 0.116 nan 8.230 nan 0.000 0.432 62 L N -1.271 119.906 121.223 -0.077 0.000 2.191 62 L HA -0.227 2.768 4.340 -2.241 0.000 0.212 62 L C 2.592 179.452 176.870 -0.016 0.000 1.103 62 L CA 1.484 56.318 54.840 -0.010 0.000 0.769 62 L CB -0.603 41.471 42.059 0.024 0.000 0.908 62 L HN 0.463 nan 8.230 nan 0.000 0.438 63 M N 0.010 119.592 119.600 -0.030 0.000 2.080 63 M HA -0.236 2.899 4.480 -2.241 0.000 0.260 63 M C 2.200 178.470 176.300 -0.050 0.000 1.068 63 M CA 1.871 57.158 55.300 -0.022 0.000 1.109 63 M CB 0.091 32.675 32.600 -0.027 0.000 1.342 63 M HN 0.106 nan 8.290 nan 0.000 0.405 64 I N 0.764 121.278 120.570 -0.094 0.000 2.233 64 I HA -0.142 2.684 4.170 -2.241 0.000 0.243 64 I C 2.816 178.805 176.117 -0.213 0.000 1.093 64 I CA 1.424 62.652 61.300 -0.119 0.000 1.380 64 I CB -2.125 35.793 38.000 -0.137 0.000 1.067 64 I HN 0.344 nan 8.210 nan 0.000 0.413 65 A N 1.306 123.843 122.820 -0.472 0.000 1.903 65 A HA -0.267 2.708 4.320 -2.241 0.000 0.219 65 A C 2.567 180.057 177.584 -0.156 0.000 1.191 65 A CA 2.740 54.434 52.037 -0.571 0.000 0.638 65 A CB -1.077 17.853 19.000 -0.117 0.000 0.823 65 A HN 0.435 nan 8.150 nan 0.000 0.451 66 A N -0.443 122.384 122.820 0.012 0.000 1.986 66 A HA -0.104 2.872 4.320 -2.241 0.000 0.220 66 A C 2.062 179.667 177.584 0.035 0.000 1.171 66 A CA 1.601 53.706 52.037 0.113 0.000 0.640 66 A CB -0.672 18.386 19.000 0.097 0.000 0.811 66 A HN 0.539 nan 8.150 nan 0.000 0.451 67 L N -2.175 119.028 121.223 -0.033 0.000 2.353 67 L HA -0.113 2.882 4.340 -2.241 0.000 0.220 67 L C 1.811 178.500 176.870 -0.302 0.000 1.133 67 L CA 0.756 55.505 54.840 -0.152 0.000 0.798 67 L CB -0.416 41.502 42.059 -0.235 0.000 0.922 67 L HN 0.393 nan 8.230 nan 0.000 0.445 68 F N -1.751 117.953 119.950 -0.409 0.000 2.698 68 F HA 0.074 3.256 4.527 -2.242 0.000 0.295 68 F C 1.416 176.969 175.800 -0.411 0.000 1.124 68 F CA 0.471 58.182 58.000 -0.482 0.000 1.426 68 F CB 0.020 38.557 39.000 -0.771 0.000 1.120 68 F HN -0.075 nan 8.300 nan 0.000 0.583 69 F N -0.378 119.683 119.950 0.186 0.000 2.654 69 F HA 0.168 3.350 4.527 -2.242 0.000 0.303 69 F C 0.952 176.793 175.800 0.069 0.000 1.099 69 F CA -0.664 57.408 58.000 0.119 0.000 1.270 69 F CB -0.528 38.538 39.000 0.110 0.000 1.024 69 F HN -0.295 nan 8.300 nan 0.000 0.548 70 T N -2.053 112.592 114.554 0.153 0.000 2.898 70 T HA 0.112 3.117 4.350 -2.241 0.000 0.301 70 T C 1.351 176.107 174.700 0.093 0.000 1.049 70 T CA -0.806 61.353 62.100 0.098 0.000 1.095 70 T CB 1.380 70.268 68.868 0.034 0.000 0.976 70 T HN -0.067 nan 8.240 nan 0.000 0.539 71 K N 0.519 120.966 120.400 0.078 0.000 2.127 71 K HA -0.078 2.897 4.320 -2.241 0.000 0.208 71 K C 0.872 177.503 176.600 0.051 0.000 1.047 71 K CA 1.400 57.727 56.287 0.066 0.000 0.927 71 K CB -0.086 32.446 32.500 0.052 0.000 0.716 71 K HN 0.490 nan 8.250 nan 0.000 0.450 72 K N 1.311 121.732 120.400 0.034 0.000 2.423 72 K HA 0.216 3.192 4.320 -2.241 0.000 0.234 72 K C -2.749 173.849 176.600 -0.003 0.000 1.051 72 K CA -2.484 53.813 56.287 0.016 0.000 1.021 72 K CB 1.100 33.605 32.500 0.008 0.000 1.474 72 K HN -0.161 nan 8.250 nan 0.000 0.474 73 P HA -0.050 nan 4.420 nan 0.000 0.259 73 P C 0.323 177.554 177.300 -0.115 0.000 1.163 73 P CA 0.359 63.427 63.100 -0.054 0.000 0.760 73 P CB 0.434 32.107 31.700 -0.046 0.000 0.762 74 R N 2.283 122.685 120.500 -0.164 0.000 2.276 74 R HA 0.223 3.219 4.340 -2.241 0.000 0.196 74 R C 0.600 176.744 176.300 -0.260 0.000 0.961 74 R CA 0.343 56.341 56.100 -0.171 0.000 1.024 74 R CB 0.113 30.337 30.300 -0.127 0.000 0.940 74 R HN 0.453 nan 8.270 nan 0.000 0.480 75 L N 1.224 122.171 121.223 -0.459 0.000 2.393 75 L HA 0.421 3.416 4.340 -2.241 0.000 0.260 75 L C -1.048 175.399 176.870 -0.704 0.000 1.002 75 L CA -0.942 53.538 54.840 -0.600 0.000 0.818 75 L CB 2.525 44.035 42.059 -0.914 0.000 1.369 75 L HN -0.023 nan 8.230 nan 0.000 0.412 76 K N 1.095 121.265 120.400 -0.383 0.000 2.482 76 K HA 0.470 3.445 4.320 -2.241 0.000 0.257 76 K C -1.124 175.525 176.600 0.082 0.000 0.969 76 K CA -1.119 55.093 56.287 -0.126 0.000 0.842 76 K CB 2.126 34.600 32.500 -0.042 0.000 1.359 76 K HN 0.226 nan 8.250 nan 0.000 0.441 77 K N 0.463 121.001 120.400 0.230 0.000 2.511 77 K HA -0.023 2.952 4.320 -2.241 0.000 0.280 77 K C 0.678 177.346 176.600 0.113 0.000 1.008 77 K CA 2.032 58.444 56.287 0.209 0.000 1.050 77 K CB 0.164 32.762 32.500 0.164 0.000 0.889 77 K HN 0.931 nan 8.250 nan 0.000 0.484 78 G N 3.336 112.199 108.800 0.105 0.000 2.258 78 G HA2 -0.215 2.400 3.960 -2.241 0.000 0.233 78 G HA3 -0.215 2.400 3.960 -2.241 0.000 0.233 78 G C -0.199 174.736 174.900 0.058 0.000 1.006 78 G CA 0.009 45.153 45.100 0.072 0.000 0.620 78 G HN 0.691 nan 8.290 nan 0.000 0.511 79 D N 1.554 121.983 120.400 0.047 0.000 2.525 79 D HA 0.364 3.660 4.640 -2.241 0.000 0.235 79 D C 0.738 177.055 176.300 0.028 0.000 1.137 79 D CA 0.538 54.547 54.000 0.014 0.000 0.868 79 D CB 0.749 41.526 40.800 -0.039 0.000 1.180 79 D HN 0.657 nan 8.370 nan 0.000 0.465 80 E N 2.110 122.320 120.200 0.016 0.000 2.259 80 E HA 0.324 3.329 4.350 -2.241 0.000 0.281 80 E C -0.919 175.683 176.600 0.003 0.000 1.037 80 E CA -0.537 55.876 56.400 0.021 0.000 0.854 80 E CB 0.666 30.377 29.700 0.018 0.000 1.051 80 E HN 0.405 nan 8.360 nan 0.000 0.409 81 I N 5.174 125.748 120.570 0.006 0.000 2.465 81 I HA 0.385 3.210 4.170 -2.241 0.000 0.291 81 I C -1.210 174.879 176.117 -0.046 0.000 1.014 81 I CA -0.751 60.538 61.300 -0.018 0.000 1.093 81 I CB 1.201 39.197 38.000 -0.006 0.000 1.267 81 I HN 0.613 nan 8.210 nan 0.000 0.431 82 I N 7.703 128.238 120.570 -0.058 0.000 2.428 82 I HA 0.524 3.350 4.170 -2.241 0.000 0.296 82 I C -0.563 175.492 176.117 -0.104 0.000 0.985 82 I CA -0.509 60.743 61.300 -0.081 0.000 1.260 82 I CB 1.677 39.637 38.000 -0.067 0.000 1.389 82 I HN 0.436 nan 8.210 nan 0.000 0.484 83 V N 3.879 123.705 119.914 -0.147 0.000 3.130 83 V HA 0.723 3.498 4.120 -2.241 0.000 0.310 83 V C -2.869 173.218 176.094 -0.012 0.000 1.158 83 V CA -2.169 60.065 62.300 -0.109 0.000 1.029 83 V CB 1.768 33.508 31.823 -0.139 0.000 1.057 83 V HN 0.458 nan 8.190 nan 0.000 0.436 84 P HA 0.422 nan 4.420 nan 0.000 0.281 84 P C 0.273 177.769 177.300 0.327 0.000 1.264 84 P CA -0.173 63.009 63.100 0.137 0.000 0.824 84 P CB 1.878 33.608 31.700 0.050 0.000 1.092 85 A N 1.402 124.404 122.820 0.305 0.000 2.167 85 A HA 0.144 3.119 4.320 -2.241 0.000 0.214 85 A C 0.703 178.434 177.584 0.244 0.000 1.151 85 A CA 0.834 53.054 52.037 0.304 0.000 0.735 85 A CB -0.421 18.668 19.000 0.148 0.000 0.802 85 A HN 0.382 nan 8.150 nan 0.000 0.467 86 V N -0.018 120.021 119.914 0.208 0.000 2.407 86 V HA 0.684 3.460 4.120 -2.241 0.000 0.291 86 V C -0.146 176.020 176.094 0.119 0.000 1.018 86 V CA 0.028 62.423 62.300 0.158 0.000 0.842 86 V CB 0.919 32.796 31.823 0.090 0.000 0.996 86 V HN 0.344 nan 8.190 nan 0.000 0.426 87 S N 3.682 119.456 115.700 0.123 0.000 2.663 87 S HA 0.324 3.449 4.470 -2.241 0.000 0.264 87 S C -1.902 172.721 174.600 0.039 0.000 1.112 87 S CA -0.665 57.526 58.200 -0.016 0.000 0.823 87 S CB 0.859 63.903 63.200 -0.261 0.000 1.111 87 S HN 0.766 nan 8.310 nan 0.000 0.476 88 W N 2.461 123.612 121.300 -0.248 0.000 2.158 88 W HA 0.201 3.518 4.660 -2.240 0.000 0.339 88 W C 1.649 177.964 176.519 -0.340 0.000 1.294 88 W CA 0.627 57.836 57.345 -0.227 0.000 1.231 88 W CB 1.025 30.335 29.460 -0.249 0.000 1.143 88 W HN 1.016 nan 8.180 nan 0.000 0.571 89 S N 1.027 116.064 115.700 -1.106 0.000 2.380 89 S HA -0.310 2.816 4.470 -2.241 0.000 0.229 89 S C 1.585 175.562 174.600 -1.038 0.000 1.043 89 S CA 2.277 59.892 58.200 -0.975 0.000 1.038 89 S CB -1.188 61.456 63.200 -0.927 0.000 0.872 89 S HN 0.660 nan 8.310 nan 0.000 0.456 90 T N -2.092 112.057 114.554 -0.675 0.000 3.215 90 T HA 0.141 3.146 4.350 -2.241 0.000 0.254 90 T C 1.340 175.881 174.700 -0.264 0.000 1.149 90 T CA 0.903 62.807 62.100 -0.327 0.000 1.042 90 T CB -0.692 68.204 68.868 0.047 0.000 0.966 90 T HN 0.414 nan 8.240 nan 0.000 0.534 91 T N 0.849 115.121 114.554 -0.470 0.000 2.942 91 T HA 0.086 3.091 4.350 -2.241 0.000 0.265 91 T C 0.917 175.296 174.700 -0.534 0.000 1.062 91 T CA 0.850 62.624 62.100 -0.543 0.000 1.139 91 T CB -0.260 68.053 68.868 -0.925 0.000 0.883 91 T HN 0.577 nan 8.240 nan 0.000 0.468 92 Y N -0.692 119.426 120.300 -0.303 0.000 2.389 92 Y HA 0.259 3.465 4.550 -2.240 0.000 0.292 92 Y C 2.004 178.043 175.900 0.233 0.000 1.117 92 Y CA -0.582 57.471 58.100 -0.077 0.000 1.195 92 Y CB -0.786 37.531 38.460 -0.239 0.000 1.076 92 Y HN 0.293 nan 8.280 nan 0.000 0.548 93 Y N 0.504 120.976 120.300 0.288 0.000 2.102 93 Y HA -0.243 2.962 4.550 -2.242 0.000 0.280 93 Y C -0.427 175.516 175.900 0.072 0.000 1.178 93 Y CA 0.773 58.992 58.100 0.198 0.000 1.146 93 Y CB -1.865 36.662 38.460 0.112 0.000 0.968 93 Y HN 0.143 nan 8.280 nan 0.000 0.504 94 P HA -0.195 nan 4.420 nan 0.000 0.218 94 P C 1.298 178.726 177.300 0.213 0.000 1.148 94 P CA 1.529 64.746 63.100 0.194 0.000 0.822 94 P CB -0.157 31.607 31.700 0.106 0.000 0.784 95 L N -0.907 120.421 121.223 0.175 0.000 2.056 95 L HA -0.174 2.822 4.340 -2.241 0.000 0.207 95 L C 2.768 179.687 176.870 0.082 0.000 1.078 95 L CA 1.402 56.343 54.840 0.168 0.000 0.749 95 L CB -1.169 41.009 42.059 0.199 0.000 0.901 95 L HN 0.023 nan 8.230 nan 0.000 0.433 96 Q N 0.654 120.397 119.800 -0.095 0.000 2.079 96 Q HA -0.229 2.766 4.340 -2.241 0.000 0.200 96 Q C 2.112 177.990 176.000 -0.204 0.000 0.974 96 Q CA 1.707 57.283 55.803 -0.378 0.000 0.840 96 Q CB -0.009 28.128 28.738 -1.002 0.000 0.898 96 Q HN 0.563 nan 8.270 nan 0.000 0.430 97 Q N -1.199 118.528 119.800 -0.123 0.000 2.364 97 Q HA -0.114 2.882 4.340 -2.241 0.000 0.207 97 Q C 0.641 176.408 176.000 -0.389 0.000 0.970 97 Q CA 0.919 56.599 55.803 -0.205 0.000 0.888 97 Q CB 0.152 28.817 28.738 -0.122 0.000 0.951 97 Q HN 0.381 nan 8.270 nan 0.000 0.469 98 Y N -1.147 119.072 120.300 -0.136 0.000 2.485 98 Y HA 0.258 3.463 4.550 -2.241 0.000 0.260 98 Y C 1.228 177.086 175.900 -0.070 0.000 1.173 98 Y CA 0.184 58.151 58.100 -0.222 0.000 1.252 98 Y CB 0.937 39.175 38.460 -0.370 0.000 1.123 98 Y HN 0.104 nan 8.280 nan 0.000 0.524 99 G N 1.028 109.837 108.800 0.014 0.000 2.198 99 G HA2 -0.302 2.313 3.960 -2.241 0.000 0.260 99 G HA3 -0.302 2.313 3.960 -2.241 0.000 0.260 99 G C -0.068 174.914 174.900 0.137 0.000 1.025 99 G CA 0.116 45.250 45.100 0.057 0.000 0.769 99 G HN 0.281 nan 8.290 nan 0.000 0.507 100 L N -0.706 120.618 121.223 0.169 0.000 2.399 100 L HA 0.654 3.649 4.340 -2.241 0.000 0.266 100 L C 1.001 177.957 176.870 0.143 0.000 1.114 100 L CA -1.227 53.713 54.840 0.167 0.000 0.804 100 L CB 0.845 43.013 42.059 0.181 0.000 1.146 100 L HN 0.232 nan 8.230 nan 0.000 0.451 101 R N 1.645 122.219 120.500 0.123 0.000 2.221 101 R HA 0.453 3.448 4.340 -2.241 0.000 0.327 101 R C -1.542 174.838 176.300 0.134 0.000 1.033 101 R CA -0.341 55.840 56.100 0.135 0.000 0.887 101 R CB 0.767 31.125 30.300 0.096 0.000 1.057 101 R HN 0.333 nan 8.270 nan 0.000 0.455 102 V N 5.454 125.486 119.914 0.197 0.000 2.398 102 V HA 0.391 3.166 4.120 -2.241 0.000 0.286 102 V C 0.022 176.163 176.094 0.079 0.000 1.026 102 V CA -0.685 61.676 62.300 0.103 0.000 0.868 102 V CB 1.358 33.258 31.823 0.128 0.000 0.982 102 V HN 0.738 nan 8.190 nan 0.000 0.443 103 K N 4.608 124.985 120.400 -0.038 0.000 2.367 103 K HA 0.510 3.485 4.320 -2.241 0.000 0.263 103 K C -1.223 175.342 176.600 -0.059 0.000 1.000 103 K CA -0.511 55.803 56.287 0.045 0.000 0.891 103 K CB 0.726 33.262 32.500 0.061 0.000 1.117 103 K HN 0.470 nan 8.250 nan 0.000 0.443 104 F N 2.875 122.910 119.950 0.142 0.000 2.412 104 F HA 0.246 3.429 4.527 -2.241 0.000 0.348 104 F C 0.283 176.150 175.800 0.111 0.000 1.102 104 F CA -0.330 57.735 58.000 0.109 0.000 1.196 104 F CB 1.256 40.313 39.000 0.096 0.000 1.144 104 F HN 0.066 nan 8.300 nan 0.000 0.541 105 V N 2.402 122.475 119.914 0.265 0.000 2.735 105 V HA 0.234 3.010 4.120 -2.241 0.000 0.310 105 V C -0.324 175.871 176.094 0.169 0.000 1.061 105 V CA -1.009 61.401 62.300 0.185 0.000 0.913 105 V CB 1.960 33.816 31.823 0.054 0.000 1.005 105 V HN 0.604 nan 8.190 nan 0.000 0.428 106 D N 1.822 122.308 120.400 0.144 0.000 2.363 106 D HA 0.338 3.633 4.640 -2.241 0.000 0.240 106 D C -0.048 176.295 176.300 0.073 0.000 1.236 106 D CA 0.040 54.103 54.000 0.106 0.000 0.927 106 D CB 0.867 41.721 40.800 0.090 0.000 1.150 106 D HN 0.528 nan 8.370 nan 0.000 0.458 107 I N -1.621 118.986 120.570 0.061 0.000 2.924 107 I HA 0.398 3.223 4.170 -2.241 0.000 0.316 107 I C 0.140 176.274 176.117 0.029 0.000 1.014 107 I CA -1.005 60.316 61.300 0.035 0.000 1.106 107 I CB 1.288 39.314 38.000 0.043 0.000 1.311 107 I HN 0.087 nan 8.210 nan 0.000 0.502 108 D N 2.484 122.889 120.400 0.008 0.000 2.277 108 D HA 0.153 3.448 4.640 -2.241 0.000 0.249 108 D C 0.500 176.816 176.300 0.027 0.000 1.134 108 D CA -0.077 53.928 54.000 0.007 0.000 0.863 108 D CB 1.652 42.442 40.800 -0.016 0.000 1.143 108 D HN 0.734 nan 8.370 nan 0.000 0.458 109 I N 4.158 124.751 120.570 0.039 0.000 3.001 109 I HA -0.174 2.651 4.170 -2.241 0.000 0.268 109 I C 1.576 177.735 176.117 0.070 0.000 1.267 109 I CA 0.445 61.784 61.300 0.066 0.000 1.472 109 I CB 0.080 38.123 38.000 0.071 0.000 1.089 109 I HN 0.342 nan 8.210 nan 0.000 0.468 110 N N -0.238 118.491 118.700 0.049 0.000 2.245 110 N HA -0.080 3.315 4.740 -2.241 0.000 0.185 110 N C 1.869 177.409 175.510 0.050 0.000 1.036 110 N CA 2.004 55.089 53.050 0.058 0.000 0.857 110 N CB -0.530 37.986 38.487 0.049 0.000 1.015 110 N HN 0.378 nan 8.380 nan 0.000 0.436 111 T N -0.519 114.045 114.554 0.018 0.000 3.055 111 T HA 0.160 3.165 4.350 -2.241 0.000 0.265 111 T C 1.284 175.973 174.700 -0.019 0.000 1.111 111 T CA 0.219 62.312 62.100 -0.012 0.000 1.118 111 T CB -0.063 68.775 68.868 -0.050 0.000 0.909 111 T HN 0.261 nan 8.240 nan 0.000 0.501 112 L N -0.823 120.403 121.223 0.005 0.000 5.051 112 L HA -0.185 2.810 4.340 -2.241 0.000 0.432 112 L C -0.028 176.827 176.870 -0.025 0.000 1.055 112 L CA 0.450 55.296 54.840 0.011 0.000 1.095 112 L CB -2.070 40.003 42.059 0.023 0.000 1.957 112 L HN 0.419 nan 8.230 nan 0.000 0.727 113 N N 0.275 118.940 118.700 -0.058 0.000 2.478 113 N HA 0.434 3.829 4.740 -2.241 0.000 0.275 113 N C 0.046 175.509 175.510 -0.078 0.000 1.221 113 N CA -0.570 52.423 53.050 -0.096 0.000 0.979 113 N CB 1.240 39.627 38.487 -0.166 0.000 1.202 113 N HN 0.134 nan 8.380 nan 0.000 0.564 114 I N 0.915 121.426 120.570 -0.099 0.000 2.821 114 I HA -0.181 2.644 4.170 -2.241 0.000 0.294 114 I C 0.185 176.256 176.117 -0.077 0.000 1.210 114 I CA 0.225 61.481 61.300 -0.074 0.000 1.430 114 I CB 0.136 38.077 38.000 -0.098 0.000 1.356 114 I HN 0.411 nan 8.210 nan 0.000 0.563 115 D N 7.171 127.550 120.400 -0.037 0.000 2.383 115 D HA 0.045 3.341 4.640 -2.241 0.000 0.252 115 D C 1.167 177.436 176.300 -0.051 0.000 1.166 115 D CA -0.159 53.822 54.000 -0.033 0.000 0.879 115 D CB 0.833 41.635 40.800 0.002 0.000 1.164 115 D HN 0.360 nan 8.370 nan 0.000 0.462 116 I N 3.165 123.697 120.570 -0.063 0.000 2.252 116 I HA -0.157 2.669 4.170 -2.241 0.000 0.245 116 I C 1.893 177.979 176.117 -0.053 0.000 1.102 116 I CA 1.021 62.276 61.300 -0.074 0.000 1.385 116 I CB -0.646 37.305 38.000 -0.082 0.000 1.064 116 I HN 0.574 nan 8.210 nan 0.000 0.414 117 E N 0.634 120.817 120.200 -0.029 0.000 2.204 117 E HA -0.097 2.908 4.350 -2.241 0.000 0.194 117 E C 2.353 178.951 176.600 -0.003 0.000 0.989 117 E CA 0.811 57.205 56.400 -0.011 0.000 0.824 117 E CB -0.103 29.600 29.700 0.005 0.000 0.756 117 E HN 0.351 nan 8.360 nan 0.000 0.477 118 S N 0.948 116.647 115.700 -0.001 0.000 2.395 118 S HA -0.074 3.052 4.470 -2.241 0.000 0.225 118 S C 1.841 176.343 174.600 -0.163 0.000 1.027 118 S CA 0.257 58.462 58.200 0.009 0.000 0.965 118 S CB -0.127 63.115 63.200 0.070 0.000 0.812 118 S HN 0.115 nan 8.310 nan 0.000 0.482 119 L N 2.349 123.497 121.223 -0.124 0.000 1.990 119 L HA -0.104 2.891 4.340 -2.241 0.000 0.213 119 L C 2.091 178.873 176.870 -0.147 0.000 1.072 119 L CA 1.898 56.649 54.840 -0.149 0.000 0.755 119 L CB -0.761 41.232 42.059 -0.110 0.000 0.889 119 L HN 0.131 nan 8.230 nan 0.000 0.432 120 K N -0.513 119.830 120.400 -0.095 0.000 2.015 120 K HA -0.252 2.723 4.320 -2.241 0.000 0.216 120 K C 1.915 178.474 176.600 -0.068 0.000 1.052 120 K CA 2.410 58.659 56.287 -0.064 0.000 0.937 120 K CB -0.207 32.272 32.500 -0.035 0.000 0.719 120 K HN 0.522 nan 8.250 nan 0.000 0.446 121 E N -0.705 119.455 120.200 -0.067 0.000 2.274 121 E HA -0.109 2.896 4.350 -2.241 0.000 0.194 121 E C 1.649 178.177 176.600 -0.120 0.000 0.996 121 E CA 0.656 57.040 56.400 -0.027 0.000 0.840 121 E CB 0.093 29.847 29.700 0.090 0.000 0.772 121 E HN 0.347 nan 8.360 nan 0.000 0.491 122 A N 1.199 123.795 122.820 -0.374 0.000 2.123 122 A HA 0.045 3.021 4.320 -2.241 0.000 0.214 122 A C 1.188 178.667 177.584 -0.175 0.000 1.152 122 A CA 0.093 51.822 52.037 -0.513 0.000 0.728 122 A CB 0.163 18.716 19.000 -0.745 0.000 0.814 122 A HN 0.002 nan 8.150 nan 0.000 0.464 123 V N 1.531 121.370 119.914 -0.124 0.000 2.614 123 V HA 0.453 3.229 4.120 -2.241 0.000 0.291 123 V C 0.751 176.827 176.094 -0.030 0.000 1.049 123 V CA 0.466 62.727 62.300 -0.065 0.000 1.038 123 V CB 0.656 32.444 31.823 -0.058 0.000 0.980 123 V HN 0.641 nan 8.190 nan 0.000 0.481 124 T N -0.377 114.166 114.554 -0.019 0.000 2.618 124 T HA 0.347 3.352 4.350 -2.241 0.000 0.286 124 T C 0.232 174.928 174.700 -0.006 0.000 1.027 124 T CA -0.543 61.554 62.100 -0.005 0.000 1.063 124 T CB 1.744 70.615 68.868 0.005 0.000 1.440 124 T HN 0.409 nan 8.240 nan 0.000 0.505 125 D N 0.333 120.733 120.400 -0.001 0.000 2.333 125 D HA 0.127 3.422 4.640 -2.241 0.000 0.208 125 D C 1.912 178.209 176.300 -0.004 0.000 0.984 125 D CA 0.567 54.566 54.000 -0.003 0.000 0.873 125 D CB 0.075 40.874 40.800 -0.000 0.000 0.935 125 D HN 0.471 nan 8.370 nan 0.000 0.521 126 S N -0.072 115.628 115.700 -0.000 0.000 2.446 126 S HA -0.025 3.100 4.470 -2.241 0.000 0.225 126 S C 1.048 175.645 174.600 -0.005 0.000 1.016 126 S CA 0.298 58.498 58.200 0.001 0.000 0.943 126 S CB 0.010 63.215 63.200 0.009 0.000 0.786 126 S HN 0.141 nan 8.310 nan 0.000 0.508 127 T N 3.548 118.097 114.554 -0.008 0.000 2.829 127 T HA 0.102 3.107 4.350 -2.241 0.000 0.293 127 T C 0.901 175.588 174.700 -0.023 0.000 0.970 127 T CA 0.055 62.145 62.100 -0.016 0.000 1.168 127 T CB 0.476 69.331 68.868 -0.023 0.000 0.911 127 T HN 0.070 nan 8.240 nan 0.000 0.535 128 K N 1.220 121.602 120.400 -0.030 0.000 2.334 128 K HA 0.456 3.432 4.320 -2.241 0.000 0.195 128 K C 0.701 177.273 176.600 -0.046 0.000 1.045 128 K CA 0.185 56.446 56.287 -0.043 0.000 1.004 128 K CB 0.566 33.030 32.500 -0.060 0.000 0.837 128 K HN 0.708 nan 8.250 nan 0.000 0.510 129 A N 0.572 123.367 122.820 -0.041 0.000 2.608 129 A HA 0.691 3.667 4.320 -2.241 0.000 0.292 129 A C -1.551 176.010 177.584 -0.038 0.000 1.066 129 A CA -0.710 51.303 52.037 -0.040 0.000 0.676 129 A CB 1.018 19.988 19.000 -0.051 0.000 1.277 129 A HN 0.050 nan 8.150 nan 0.000 0.413 130 I N 1.399 121.949 120.570 -0.034 0.000 2.447 130 I HA 0.368 3.193 4.170 -2.241 0.000 0.287 130 I C -1.212 174.882 176.117 -0.038 0.000 1.023 130 I CA -0.720 60.556 61.300 -0.040 0.000 1.083 130 I CB 1.893 39.871 38.000 -0.036 0.000 1.245 130 I HN 0.512 nan 8.210 nan 0.000 0.434 131 L N 7.920 129.108 121.223 -0.057 0.000 2.277 131 L HA 0.509 3.504 4.340 -2.241 0.000 0.284 131 L C 0.283 177.104 176.870 -0.082 0.000 1.028 131 L CA 0.041 54.841 54.840 -0.067 0.000 0.835 131 L CB 0.801 42.806 42.059 -0.089 0.000 1.215 131 L HN 0.704 nan 8.230 nan 0.000 0.425 132 T N 2.002 116.520 114.554 -0.061 0.000 2.927 132 T HA 0.775 3.780 4.350 -2.241 0.000 0.281 132 T C -0.258 174.378 174.700 -0.107 0.000 0.998 132 T CA -0.736 61.310 62.100 -0.089 0.000 1.019 132 T CB 1.674 70.488 68.868 -0.090 0.000 1.061 132 T HN 0.338 nan 8.240 nan 0.000 0.518 133 V N 2.455 122.287 119.914 -0.137 0.000 2.531 133 V HA 0.388 3.163 4.120 -2.241 0.000 0.301 133 V C -0.577 175.424 176.094 -0.155 0.000 1.034 133 V CA -1.180 61.027 62.300 -0.155 0.000 0.865 133 V CB 1.813 33.532 31.823 -0.173 0.000 0.995 133 V HN 0.899 nan 8.190 nan 0.000 0.424 134 N N 4.169 122.779 118.700 -0.149 0.000 2.406 134 N HA 0.310 3.705 4.740 -2.241 0.000 0.251 134 N C -0.602 174.810 175.510 -0.164 0.000 1.069 134 N CA -0.298 52.663 53.050 -0.148 0.000 0.947 134 N CB 1.697 40.125 38.487 -0.100 0.000 1.111 134 N HN 0.493 nan 8.380 nan 0.000 0.497 135 L N 3.874 125.006 121.223 -0.153 0.000 2.319 135 L HA 0.191 3.186 4.340 -2.241 0.000 0.280 135 L C 1.033 177.834 176.870 -0.115 0.000 1.099 135 L CA 0.147 54.904 54.840 -0.137 0.000 0.828 135 L CB 0.192 42.193 42.059 -0.097 0.000 1.150 135 L HN 0.556 nan 8.230 nan 0.000 0.442 136 L N 4.894 126.050 121.223 -0.111 0.000 4.179 136 L HA -0.316 2.679 4.340 -2.241 0.000 0.418 136 L C 1.084 177.991 176.870 0.061 0.000 1.168 136 L CA 0.530 55.400 54.840 0.050 0.000 0.972 136 L CB -2.408 39.747 42.059 0.159 0.000 2.005 136 L HN 1.059 nan 8.230 nan 0.000 0.935 137 G N -1.388 107.391 108.800 -0.034 0.000 2.201 137 G HA2 -0.262 2.353 3.960 -2.241 0.000 0.212 137 G HA3 -0.262 2.353 3.960 -2.241 0.000 0.212 137 G C -0.024 174.783 174.900 -0.156 0.000 0.994 137 G CA 0.159 45.246 45.100 -0.023 0.000 0.644 137 G HN 0.373 nan 8.290 nan 0.000 0.508 138 N N 2.502 121.079 118.700 -0.204 0.000 2.414 138 N HA 0.507 3.903 4.740 -2.241 0.000 0.256 138 N C -2.074 173.349 175.510 -0.145 0.000 1.029 138 N CA -1.754 51.167 53.050 -0.214 0.000 0.948 138 N CB 1.824 40.163 38.487 -0.247 0.000 1.102 138 N HN 0.196 nan 8.380 nan 0.000 0.496 139 P HA 0.067 nan 4.420 nan 0.000 0.274 139 P C -0.464 176.623 177.300 -0.355 0.000 1.237 139 P CA -0.256 62.783 63.100 -0.102 0.000 0.793 139 P CB 0.969 32.727 31.700 0.096 0.000 0.977 140 N N 1.569 119.856 118.700 -0.688 0.000 2.467 140 N HA 0.015 3.411 4.740 -2.241 0.000 0.262 140 N C 0.454 175.230 175.510 -1.224 0.000 1.234 140 N CA -0.068 52.410 53.050 -0.954 0.000 0.952 140 N CB 0.260 37.975 38.487 -1.286 0.000 1.158 140 N HN 0.411 nan 8.380 nan 0.000 0.463 141 N N 1.940 120.095 118.700 -0.907 0.000 2.508 141 N HA 0.012 3.407 4.740 -2.241 0.000 0.253 141 N C 0.207 175.126 175.510 -0.985 0.000 1.145 141 N CA 0.009 52.459 53.050 -1.001 0.000 0.973 141 N CB -0.500 37.727 38.487 -0.434 0.000 1.305 141 N HN 0.368 nan 8.380 nan 0.000 0.506 142 F N 0.804 120.062 119.950 -1.153 0.000 2.494 142 F HA -0.076 3.107 4.527 -2.240 0.000 0.298 142 F C 1.831 177.473 175.800 -0.263 0.000 1.106 142 F CA 0.308 57.921 58.000 -0.645 0.000 1.452 142 F CB 0.150 38.646 39.000 -0.840 0.000 1.085 142 F HN 0.349 nan 8.300 nan 0.000 0.569 143 D N 0.441 120.849 120.400 0.013 0.000 2.084 143 D HA -0.140 3.156 4.640 -2.241 0.000 0.194 143 D C 2.192 178.524 176.300 0.054 0.000 0.990 143 D CA 1.195 55.296 54.000 0.168 0.000 0.826 143 D CB -0.207 40.756 40.800 0.272 0.000 0.971 143 D HN 0.223 nan 8.370 nan 0.000 0.453 144 E N 0.396 120.585 120.200 -0.018 0.000 2.153 144 E HA -0.117 2.888 4.350 -2.241 0.000 0.194 144 E C 2.479 179.044 176.600 -0.058 0.000 0.988 144 E CA 0.329 56.705 56.400 -0.041 0.000 0.811 144 E CB -0.100 29.555 29.700 -0.074 0.000 0.746 144 E HN 0.431 nan 8.360 nan 0.000 0.466 145 I N 1.575 122.085 120.570 -0.101 0.000 2.252 145 I HA -0.242 2.583 4.170 -2.241 0.000 0.245 145 I C 1.949 178.064 176.117 -0.005 0.000 1.102 145 I CA 0.772 62.024 61.300 -0.079 0.000 1.385 145 I CB -0.311 37.613 38.000 -0.125 0.000 1.064 145 I HN 0.010 nan 8.210 nan 0.000 0.414 146 N N 1.104 119.828 118.700 0.040 0.000 2.289 146 N HA -0.165 3.231 4.740 -2.241 0.000 0.184 146 N C 1.727 177.259 175.510 0.037 0.000 1.016 146 N CA 1.192 54.277 53.050 0.059 0.000 0.872 146 N CB -0.137 38.409 38.487 0.099 0.000 0.973 146 N HN 0.352 nan 8.380 nan 0.000 0.433 147 K N 0.226 120.641 120.400 0.025 0.000 2.103 147 K HA 0.128 3.103 4.320 -2.241 0.000 0.204 147 K C 1.932 178.536 176.600 0.006 0.000 1.052 147 K CA 0.494 56.792 56.287 0.018 0.000 0.945 147 K CB 0.094 32.604 32.500 0.017 0.000 0.722 147 K HN 0.115 nan 8.250 nan 0.000 0.443 148 I N 0.639 121.205 120.570 -0.007 0.000 2.286 148 I HA -0.243 2.583 4.170 -2.241 0.000 0.245 148 I C 2.004 178.114 176.117 -0.012 0.000 1.104 148 I CA 1.054 62.344 61.300 -0.017 0.000 1.397 148 I CB -0.085 37.894 38.000 -0.036 0.000 1.072 148 I HN 0.121 nan 8.210 nan 0.000 0.417 149 I N 0.724 121.291 120.570 -0.005 0.000 2.179 149 I HA -0.154 2.672 4.170 -2.241 0.000 0.242 149 I C 1.324 177.443 176.117 0.003 0.000 1.088 149 I CA 1.016 62.315 61.300 -0.001 0.000 1.357 149 I CB -0.928 37.078 38.000 0.010 0.000 1.051 149 I HN 0.406 nan 8.210 nan 0.000 0.409 150 G N 1.142 109.948 108.800 0.010 0.000 2.325 150 G HA2 -0.165 2.450 3.960 -2.241 0.000 0.274 150 G HA3 -0.165 2.450 3.960 -2.241 0.000 0.274 150 G C 1.017 175.923 174.900 0.010 0.000 0.921 150 G CA 0.358 45.465 45.100 0.012 0.000 1.340 150 G HN 0.911 nan 8.290 nan 0.000 0.447 151 G N 0.375 109.183 108.800 0.014 0.000 2.262 151 G HA2 -0.402 2.214 3.960 -2.241 0.000 0.269 151 G HA3 -0.402 2.214 3.960 -2.241 0.000 0.269 151 G C 0.913 175.817 174.900 0.006 0.000 0.984 151 G CA 1.411 46.517 45.100 0.011 0.000 0.649 151 G HN 1.175 nan 8.290 nan 0.000 0.548 152 R N 0.335 120.837 120.500 0.003 0.000 2.643 152 R HA 0.256 3.251 4.340 -2.241 0.000 0.270 152 R C -0.421 175.877 176.300 -0.004 0.000 1.061 152 R CA -0.275 55.824 56.100 -0.001 0.000 1.107 152 R CB 0.285 30.582 30.300 -0.004 0.000 0.999 152 R HN 0.043 nan 8.270 nan 0.000 0.460 153 D N 2.283 122.678 120.400 -0.008 0.000 2.662 153 D HA 0.089 3.384 4.640 -2.241 0.000 0.228 153 D C -0.579 175.709 176.300 -0.019 0.000 1.090 153 D CA 0.613 54.605 54.000 -0.013 0.000 1.118 153 D CB -0.312 40.478 40.800 -0.016 0.000 1.129 153 D HN 0.257 nan 8.370 nan 0.000 0.472 154 I N 2.519 123.080 120.570 -0.015 0.000 2.439 154 I HA 0.264 3.089 4.170 -2.241 0.000 0.285 154 I C -0.103 176.004 176.117 -0.016 0.000 1.021 154 I CA -1.051 60.237 61.300 -0.019 0.000 1.091 154 I CB 1.474 39.465 38.000 -0.016 0.000 1.242 154 I HN -0.116 nan 8.210 nan 0.000 0.439 155 I N 6.454 127.009 120.570 -0.026 0.000 2.575 155 I HA 0.137 2.963 4.170 -2.241 0.000 0.285 155 I C -0.172 175.939 176.117 -0.009 0.000 1.085 155 I CA -0.105 61.183 61.300 -0.021 0.000 1.403 155 I CB 0.612 38.590 38.000 -0.037 0.000 1.409 155 I HN 0.377 nan 8.210 nan 0.000 0.557 156 L N 7.345 128.572 121.223 0.008 0.000 2.307 156 L HA 0.687 3.683 4.340 -2.241 0.000 0.284 156 L C -1.057 175.827 176.870 0.023 0.000 1.023 156 L CA -0.001 54.856 54.840 0.028 0.000 0.810 156 L CB 0.795 42.893 42.059 0.065 0.000 1.231 156 L HN 0.476 nan 8.230 nan 0.000 0.423 157 L N 4.013 125.248 121.223 0.019 0.000 2.350 157 L HA 0.628 3.623 4.340 -2.241 0.000 0.260 157 L C -0.859 176.018 176.870 0.011 0.000 1.015 157 L CA -0.777 54.064 54.840 0.002 0.000 0.821 157 L CB 2.401 44.445 42.059 -0.026 0.000 1.370 157 L HN 0.579 nan 8.230 nan 0.000 0.416 158 E N 0.766 120.959 120.200 -0.012 0.000 2.246 158 E HA 0.193 3.198 4.350 -2.241 0.000 0.266 158 E C -1.611 174.922 176.600 -0.111 0.000 0.880 158 E CA -0.727 55.656 56.400 -0.029 0.000 0.762 158 E CB 2.697 32.394 29.700 -0.004 0.000 1.180 158 E HN 0.349 nan 8.360 nan 0.000 0.416 159 D N 2.437 122.751 120.400 -0.144 0.000 2.380 159 D HA 0.084 3.380 4.640 -2.241 0.000 0.230 159 D C -0.381 175.770 176.300 -0.248 0.000 1.154 159 D CA -0.206 53.675 54.000 -0.197 0.000 0.859 159 D CB 0.525 41.201 40.800 -0.207 0.000 1.045 159 D HN 0.280 nan 8.370 nan 0.000 0.495 160 N N 2.752 121.231 118.700 -0.369 0.000 2.380 160 N HA 0.066 3.462 4.740 -2.241 0.000 0.255 160 N C 0.735 175.971 175.510 -0.456 0.000 1.158 160 N CA -0.295 52.468 53.050 -0.478 0.000 0.878 160 N CB -0.227 37.761 38.487 -0.831 0.000 1.138 160 N HN 0.344 nan 8.380 nan 0.000 0.509 161 C N -0.204 118.904 119.300 -0.319 0.000 2.437 161 C HA 0.034 3.149 4.460 -2.241 0.000 0.283 161 C C 1.707 176.551 174.990 -0.243 0.000 1.424 161 C CA 0.634 59.514 59.018 -0.230 0.000 1.782 161 C CB -0.620 26.996 27.740 -0.207 0.000 1.833 161 C HN 0.550 nan 8.230 nan 0.000 0.532 162 E N -0.654 119.340 120.200 -0.343 0.000 2.489 162 E HA 0.054 3.059 4.350 -2.241 0.000 0.204 162 E C 1.013 177.510 176.600 -0.171 0.000 1.006 162 E CA 0.109 56.191 56.400 -0.529 0.000 0.936 162 E CB 0.262 29.502 29.700 -0.766 0.000 1.002 162 E HN 0.382 nan 8.360 nan 0.000 0.488 163 S N 1.115 116.729 115.700 -0.144 0.000 2.711 163 S HA 0.210 3.336 4.470 -2.241 0.000 0.247 163 S C 0.067 174.566 174.600 -0.169 0.000 1.079 163 S CA -0.389 57.741 58.200 -0.117 0.000 1.050 163 S CB 0.094 63.223 63.200 -0.119 0.000 0.885 163 S HN 0.245 nan 8.310 nan 0.000 0.498 164 M N 1.677 121.173 119.600 -0.175 0.000 2.260 164 M HA 0.338 3.473 4.480 -2.241 0.000 0.348 164 M C 1.234 177.477 176.300 -0.095 0.000 1.342 164 M CA 1.853 57.159 55.300 0.011 0.000 1.040 164 M CB -0.077 32.641 32.600 0.196 0.000 1.810 164 M HN 0.494 nan 8.290 nan 0.000 0.453 165 G N 2.753 111.673 108.800 0.200 0.000 2.299 165 G HA2 -0.244 2.372 3.960 -2.241 0.000 0.237 165 G HA3 -0.244 2.372 3.960 -2.241 0.000 0.237 165 G C 0.281 175.264 174.900 0.139 0.000 1.027 165 G CA 0.155 45.365 45.100 0.184 0.000 0.619 165 G HN 1.324 nan 8.290 nan 0.000 0.513 166 A N 0.407 123.277 122.820 0.084 0.000 2.507 166 A HA 0.642 3.618 4.320 -2.241 0.000 0.235 166 A C 0.862 178.562 177.584 0.194 0.000 1.070 166 A CA 1.976 54.081 52.037 0.115 0.000 0.768 166 A CB 0.158 19.196 19.000 0.063 0.000 1.011 166 A HN 2.151 nan 8.150 nan 0.000 0.502 167 T N -1.828 112.860 114.554 0.224 0.000 2.868 167 T HA 0.627 3.632 4.350 -2.241 0.000 0.306 167 T C -1.096 173.821 174.700 0.361 0.000 1.224 167 T CA -0.461 61.813 62.100 0.290 0.000 1.012 167 T CB 1.289 70.275 68.868 0.196 0.000 1.221 167 T HN 1.267 nan 8.240 nan 0.000 0.499 168 F N 2.185 122.306 119.950 0.285 0.000 2.585 168 F HA 0.529 3.711 4.527 -2.242 0.000 0.319 168 F C -0.285 175.680 175.800 0.276 0.000 1.165 168 F CA -0.736 57.407 58.000 0.238 0.000 0.949 168 F CB 1.224 40.343 39.000 0.199 0.000 1.218 168 F HN 0.795 nan 8.300 nan 0.000 0.453 169 N N 4.491 122.937 118.700 -0.423 0.000 2.705 169 N HA -0.309 3.086 4.740 -2.241 0.000 0.255 169 N C -0.142 175.351 175.510 -0.028 0.000 1.008 169 N CA 1.504 54.388 53.050 -0.277 0.000 0.742 169 N CB -1.386 36.886 38.487 -0.359 0.000 0.906 169 N HN 0.869 nan 8.380 nan 0.000 0.541 170 N N -2.330 116.374 118.700 0.008 0.000 2.782 170 N HA -0.245 3.151 4.740 -2.241 0.000 0.251 170 N C -0.340 175.184 175.510 0.024 0.000 1.101 170 N CA 1.732 54.793 53.050 0.019 0.000 0.764 170 N CB -0.445 38.037 38.487 -0.009 0.000 1.122 170 N HN 0.735 nan 8.380 nan 0.000 0.561 171 K N -0.122 120.331 120.400 0.087 0.000 2.422 171 K HA 0.565 3.540 4.320 -2.241 0.000 0.251 171 K C -0.919 175.719 176.600 0.064 0.000 0.933 171 K CA -0.708 55.558 56.287 -0.035 0.000 0.798 171 K CB 1.413 33.750 32.500 -0.271 0.000 1.238 171 K HN 0.115 nan 8.250 nan 0.000 0.428 172 C N 3.144 122.427 119.300 -0.029 0.000 2.585 172 C HA 0.390 3.506 4.460 -2.241 0.000 0.406 172 C C 0.755 175.825 174.990 0.134 0.000 1.312 172 C CA -0.528 58.562 59.018 0.120 0.000 1.924 172 C CB -0.374 27.470 27.740 0.174 0.000 2.578 172 C HN 0.819 nan 8.230 nan 0.000 0.580 173 A N 3.256 126.267 122.820 0.318 0.000 2.483 173 A HA 0.476 3.451 4.320 -2.241 0.000 0.238 173 A C 1.382 179.047 177.584 0.136 0.000 1.070 173 A CA 0.776 53.027 52.037 0.357 0.000 0.770 173 A CB -0.332 18.812 19.000 0.240 0.000 1.008 173 A HN 2.126 nan 8.150 nan 0.000 0.497 174 G N 0.306 109.148 108.800 0.069 0.000 2.279 174 G HA2 -0.245 2.370 3.960 -2.241 0.000 0.223 174 G HA3 -0.245 2.370 3.960 -2.241 0.000 0.223 174 G C 0.970 175.885 174.900 0.026 0.000 1.015 174 G CA 1.066 46.131 45.100 -0.059 0.000 0.621 174 G HN 2.067 nan 8.290 nan 0.000 0.506 175 T N -1.958 112.554 114.554 -0.071 0.000 3.054 175 T HA 0.494 3.500 4.350 -2.241 0.000 0.255 175 T C 1.754 176.236 174.700 -0.363 0.000 1.035 175 T CA 0.786 62.774 62.100 -0.186 0.000 0.941 175 T CB -0.201 68.539 68.868 -0.213 0.000 1.026 175 T HN 0.189 nan 8.240 nan 0.000 0.533 176 F N 2.663 122.428 119.950 -0.307 0.000 2.234 176 F HA 0.340 3.523 4.527 -2.240 0.000 0.296 176 F C 2.101 177.746 175.800 -0.259 0.000 1.089 176 F CA 0.356 58.097 58.000 -0.432 0.000 1.343 176 F CB -0.640 37.680 39.000 -1.133 0.000 1.040 176 F HN 0.337 nan 8.300 nan 0.000 0.498 177 G N -0.237 108.555 108.800 -0.013 0.000 2.621 177 G HA2 0.230 2.845 3.960 -2.241 0.000 0.271 177 G HA3 0.230 2.845 3.960 -2.241 0.000 0.271 177 G C 0.667 175.571 174.900 0.006 0.000 1.236 177 G CA -0.442 44.666 45.100 0.014 0.000 0.958 177 G HN 0.207 nan 8.290 nan 0.000 0.512 178 L N -0.858 120.372 121.223 0.011 0.000 2.127 178 L HA 0.229 3.225 4.340 -2.241 0.000 0.211 178 L C 1.133 178.019 176.870 0.026 0.000 1.089 178 L CA 1.532 56.380 54.840 0.014 0.000 0.757 178 L CB -0.237 41.826 42.059 0.007 0.000 0.899 178 L HN 0.459 nan 8.230 nan 0.000 0.434 179 M N -2.063 117.552 119.600 0.024 0.000 2.575 179 M HA 0.582 3.717 4.480 -2.241 0.000 0.284 179 M C -0.522 175.795 176.300 0.028 0.000 1.253 179 M CA -0.212 55.112 55.300 0.041 0.000 0.861 179 M CB 2.310 34.932 32.600 0.037 0.000 1.733 179 M HN -0.051 nan 8.290 nan 0.000 0.462 180 G N 0.650 109.483 108.800 0.055 0.000 2.701 180 G HA2 0.680 3.296 3.960 -2.241 0.000 0.300 180 G HA3 0.680 3.296 3.960 -2.241 0.000 0.300 180 G C -1.082 173.831 174.900 0.021 0.000 1.410 180 G CA -0.534 44.565 45.100 -0.002 0.000 1.014 180 G HN 0.678 nan 8.290 nan 0.000 0.509 181 T N -1.071 113.414 114.554 -0.115 0.000 2.925 181 T HA 0.829 3.834 4.350 -2.241 0.000 0.285 181 T C -0.795 173.765 174.700 -0.233 0.000 1.021 181 T CA -0.681 61.393 62.100 -0.043 0.000 1.042 181 T CB 1.617 70.455 68.868 -0.050 0.000 1.037 181 T HN 0.223 nan 8.240 nan 0.000 0.481 182 F N 0.045 119.981 119.950 -0.023 0.000 2.620 182 F HA 0.745 3.930 4.527 -2.236 0.000 0.320 182 F C 0.361 176.168 175.800 0.013 0.000 1.069 182 F CA -1.051 56.957 58.000 0.013 0.000 0.953 182 F CB 2.452 41.539 39.000 0.146 0.000 1.322 182 F HN 0.732 nan 8.300 nan 0.000 0.479 183 S N -0.243 115.606 115.700 0.249 0.000 2.557 183 S HA 0.542 3.668 4.470 -2.241 0.000 0.291 183 S C -0.445 174.308 174.600 0.256 0.000 1.116 183 S CA -0.448 57.859 58.200 0.178 0.000 0.992 183 S CB 1.071 64.317 63.200 0.077 0.000 1.028 183 S HN 0.660 nan 8.310 nan 0.000 0.484 184 S N 3.987 119.831 115.700 0.241 0.000 2.562 184 S HA 0.329 3.455 4.470 -2.241 0.000 0.246 184 S C -0.117 174.622 174.600 0.231 0.000 1.056 184 S CA -0.536 57.816 58.200 0.253 0.000 1.042 184 S CB -0.531 62.813 63.200 0.240 0.000 0.822 184 S HN 0.628 nan 8.310 nan 0.000 0.465 185 F N 2.605 122.607 119.950 0.087 0.000 2.553 185 F HA 0.229 3.411 4.527 -2.242 0.000 0.356 185 F C 1.593 177.438 175.800 0.074 0.000 1.142 185 F CA -0.963 57.080 58.000 0.072 0.000 1.322 185 F CB 0.235 39.246 39.000 0.017 0.000 1.126 185 F HN 0.262 nan 8.300 nan 0.000 0.599 186 Y N 3.111 122.837 120.300 -0.956 0.000 2.073 186 Y HA -0.411 2.793 4.550 -2.243 0.000 0.270 186 Y C 2.488 178.133 175.900 -0.426 0.000 1.226 186 Y CA 3.012 60.653 58.100 -0.765 0.000 1.117 186 Y CB -0.792 37.081 38.460 -0.980 0.000 0.939 186 Y HN 0.620 nan 8.280 nan 0.000 0.504 187 S N -0.307 115.147 115.700 -0.410 0.000 2.561 187 S HA 0.064 3.189 4.470 -2.241 0.000 0.225 187 S C 0.786 175.395 174.600 0.016 0.000 0.977 187 S CA -0.102 58.014 58.200 -0.139 0.000 0.926 187 S CB -0.263 63.037 63.200 0.166 0.000 0.769 187 S HN 0.371 nan 8.310 nan 0.000 0.533 188 K N 0.584 121.053 120.400 0.115 0.000 2.386 188 K HA 0.247 3.222 4.320 -2.241 0.000 0.249 188 K C 0.688 177.379 176.600 0.152 0.000 1.055 188 K CA -0.365 56.079 56.287 0.262 0.000 0.930 188 K CB -0.069 32.611 32.500 0.299 0.000 1.230 188 K HN 0.141 nan 8.250 nan 0.000 0.507 189 H N -0.397 118.833 119.070 0.267 0.000 2.489 189 H HA -0.006 3.205 4.556 -2.242 0.000 0.293 189 H C 0.546 176.042 175.328 0.279 0.000 1.066 189 H CA 1.316 57.516 56.048 0.255 0.000 1.305 189 H CB -0.279 29.674 29.762 0.319 0.000 1.386 189 H HN 0.366 nan 8.280 nan 0.000 0.551 190 I N -4.069 116.728 120.570 0.377 0.000 3.195 190 I HA 0.777 3.602 4.170 -2.241 0.000 0.313 190 I C -1.501 174.767 176.117 0.250 0.000 1.237 190 I CA -1.717 59.812 61.300 0.381 0.000 0.963 190 I CB 2.466 40.743 38.000 0.462 0.000 1.278 190 I HN -0.152 nan 8.210 nan 0.000 0.460 191 A N 1.091 124.071 122.820 0.267 0.000 2.459 191 A HA 0.714 3.689 4.320 -2.241 0.000 0.296 191 A C -0.259 177.548 177.584 0.371 0.000 1.039 191 A CA -0.039 52.118 52.037 0.199 0.000 0.698 191 A CB 1.455 20.413 19.000 -0.070 0.000 1.261 191 A HN 0.948 nan 8.150 nan 0.000 0.405 192 T N -0.338 114.367 114.554 0.253 0.000 3.331 192 T HA 0.481 3.486 4.350 -2.241 0.000 0.282 192 T C 0.925 175.759 174.700 0.224 0.000 1.010 192 T CA 0.648 62.879 62.100 0.217 0.000 0.928 192 T CB -0.805 68.075 68.868 0.020 0.000 1.154 192 T HN 0.971 nan 8.240 nan 0.000 0.516 193 M N -0.787 118.958 119.600 0.241 0.000 6.341 193 M HA -0.201 2.934 4.480 -2.241 0.000 0.152 193 M C -0.351 176.014 176.300 0.109 0.000 0.550 193 M CA 1.823 57.200 55.300 0.129 0.000 1.147 193 M CB -1.031 31.662 32.600 0.155 0.000 1.207 193 M HN 0.390 nan 8.290 nan 0.000 0.261 194 E N 0.066 120.360 120.200 0.156 0.000 2.369 194 E HA 0.715 3.720 4.350 -2.241 0.000 0.270 194 E C -0.450 176.240 176.600 0.150 0.000 0.909 194 E CA 0.197 56.733 56.400 0.227 0.000 0.775 194 E CB 2.540 32.366 29.700 0.209 0.000 1.270 194 E HN 0.586 nan 8.360 nan 0.000 0.445 195 G N -0.465 108.424 108.800 0.148 0.000 2.376 195 G HA2 0.473 3.088 3.960 -2.241 0.000 0.302 195 G HA3 0.473 3.088 3.960 -2.241 0.000 0.302 195 G C -1.113 173.844 174.900 0.095 0.000 1.586 195 G CA -0.184 44.968 45.100 0.087 0.000 0.907 195 G HN 0.652 nan 8.290 nan 0.000 0.655 196 G N -1.599 107.235 108.800 0.056 0.000 2.684 196 G HA2 0.722 3.338 3.960 -2.241 0.000 0.290 196 G HA3 0.722 3.338 3.960 -2.241 0.000 0.290 196 G C -1.480 173.418 174.900 -0.003 0.000 1.425 196 G CA -0.210 44.923 45.100 0.055 0.000 0.822 196 G HN 1.378 nan 8.290 nan 0.000 0.482 197 C N -0.515 118.780 119.300 -0.008 0.000 2.880 197 C HA 0.666 3.782 4.460 -2.241 0.000 0.320 197 C C -0.725 174.291 174.990 0.044 0.000 1.176 197 C CA -0.497 58.444 59.018 -0.129 0.000 1.390 197 C CB 0.957 28.284 27.740 -0.688 0.000 1.846 197 C HN 0.643 nan 8.230 nan 0.000 0.478 198 I N 3.081 123.680 120.570 0.049 0.000 2.493 198 I HA 0.674 3.499 4.170 -2.241 0.000 0.298 198 I C 0.039 176.248 176.117 0.154 0.000 0.998 198 I CA -0.307 61.069 61.300 0.127 0.000 1.137 198 I CB 1.624 39.682 38.000 0.097 0.000 1.310 198 I HN 0.509 nan 8.210 nan 0.000 0.445 199 V N 1.477 121.521 119.914 0.216 0.000 2.769 199 V HA 0.960 3.736 4.120 -2.241 0.000 0.312 199 V C -0.458 175.729 176.094 0.156 0.000 1.061 199 V CA -0.172 62.251 62.300 0.205 0.000 0.931 199 V CB 1.769 33.751 31.823 0.266 0.000 1.010 199 V HN 0.864 nan 8.190 nan 0.000 0.433 200 T N 0.862 115.503 114.554 0.146 0.000 2.893 200 T HA 0.377 3.383 4.350 -2.241 0.000 0.337 200 T C -0.963 173.850 174.700 0.188 0.000 1.587 200 T CA -0.215 61.969 62.100 0.139 0.000 1.066 200 T CB 2.070 71.026 68.868 0.147 0.000 1.414 200 T HN 0.848 nan 8.240 nan 0.000 0.488 201 D N 1.079 121.560 120.400 0.134 0.000 2.398 201 D HA 0.150 3.445 4.640 -2.241 0.000 0.210 201 D C -0.148 176.295 176.300 0.238 0.000 1.094 201 D CA 0.003 54.068 54.000 0.108 0.000 0.839 201 D CB 0.498 41.291 40.800 -0.013 0.000 0.963 201 D HN 0.481 nan 8.370 nan 0.000 0.506 202 D N 1.566 122.090 120.400 0.208 0.000 2.347 202 D HA -0.003 3.292 4.640 -2.241 0.000 0.235 202 D C 0.958 177.270 176.300 0.019 0.000 1.149 202 D CA -0.029 54.043 54.000 0.120 0.000 0.850 202 D CB 1.481 42.315 40.800 0.057 0.000 1.061 202 D HN 0.009 nan 8.370 nan 0.000 0.487 203 E N 2.949 123.140 120.200 -0.014 0.000 2.150 203 E HA -0.178 2.828 4.350 -2.241 0.000 0.193 203 E C 1.364 177.736 176.600 -0.380 0.000 0.985 203 E CA 0.712 56.924 56.400 -0.314 0.000 0.814 203 E CB 0.348 29.956 29.700 -0.154 0.000 0.752 203 E HN 0.628 nan 8.360 nan 0.000 0.466 204 E N 0.488 120.596 120.200 -0.153 0.000 2.015 204 E HA -0.185 2.821 4.350 -2.241 0.000 0.191 204 E C 2.178 178.746 176.600 -0.052 0.000 0.991 204 E CA 1.026 57.378 56.400 -0.080 0.000 0.802 204 E CB -0.085 29.612 29.700 -0.005 0.000 0.759 204 E HN 0.287 nan 8.360 nan 0.000 0.447 205 I N 0.628 121.186 120.570 -0.020 0.000 2.208 205 I HA -0.294 2.531 4.170 -2.241 0.000 0.245 205 I C 2.476 178.604 176.117 0.018 0.000 1.097 205 I CA 1.236 62.549 61.300 0.022 0.000 1.363 205 I CB -0.388 37.634 38.000 0.038 0.000 1.051 205 I HN 0.300 nan 8.210 nan 0.000 0.413 206 Y N 1.419 121.578 120.300 -0.234 0.000 2.165 206 Y HA -0.324 2.878 4.550 -2.247 0.000 0.286 206 Y C 2.522 178.337 175.900 -0.142 0.000 1.155 206 Y CA 1.894 59.800 58.100 -0.322 0.000 1.164 206 Y CB -0.766 37.180 38.460 -0.857 0.000 0.978 206 Y HN 0.273 nan 8.280 nan 0.000 0.513 207 H N -1.084 117.800 119.070 -0.310 0.000 2.428 207 H HA -0.063 3.147 4.556 -2.243 0.000 0.296 207 H C 2.298 177.524 175.328 -0.171 0.000 1.062 207 H CA 1.024 56.876 56.048 -0.327 0.000 1.350 207 H CB 0.002 29.651 29.762 -0.188 0.000 1.403 207 H HN 0.317 nan 8.280 nan 0.000 0.533 208 I N 0.771 121.371 120.570 0.050 0.000 2.179 208 I HA -0.294 2.531 4.170 -2.241 0.000 0.242 208 I C 2.102 178.252 176.117 0.056 0.000 1.088 208 I CA 1.137 62.481 61.300 0.073 0.000 1.357 208 I CB -0.185 37.893 38.000 0.131 0.000 1.051 208 I HN 0.244 nan 8.210 nan 0.000 0.409 209 L N 0.055 121.300 121.223 0.037 0.000 2.042 209 L HA -0.255 2.740 4.340 -2.241 0.000 0.210 209 L C 2.551 179.427 176.870 0.009 0.000 1.076 209 L CA 1.413 56.281 54.840 0.047 0.000 0.749 209 L CB -0.563 41.541 42.059 0.075 0.000 0.893 209 L HN 0.303 nan 8.230 nan 0.000 0.432 210 L N -1.082 120.099 121.223 -0.070 0.000 2.127 210 L HA -0.305 2.691 4.340 -2.241 0.000 0.211 210 L C 2.784 179.659 176.870 0.009 0.000 1.089 210 L CA 1.175 55.977 54.840 -0.064 0.000 0.757 210 L CB -0.485 41.469 42.059 -0.175 0.000 0.899 210 L HN 0.504 nan 8.230 nan 0.000 0.434 211 C N 0.549 119.854 119.300 0.009 0.000 2.544 211 C HA -0.031 3.084 4.460 -2.241 0.000 0.280 211 C C 2.632 177.606 174.990 -0.027 0.000 1.295 211 C CA 0.331 59.367 59.018 0.029 0.000 1.702 211 C CB -0.499 27.256 27.740 0.025 0.000 2.090 211 C HN 0.563 nan 8.230 nan 0.000 0.493 212 I N 0.093 120.665 120.570 0.003 0.000 3.111 212 I HA 0.048 2.873 4.170 -2.241 0.000 0.272 212 I C 2.426 178.567 176.117 0.041 0.000 1.268 212 I CA 1.128 62.441 61.300 0.022 0.000 1.467 212 I CB -0.749 37.330 38.000 0.132 0.000 1.087 212 I HN 0.319 nan 8.210 nan 0.000 0.467 213 R N 2.441 122.938 120.500 -0.004 0.000 2.189 213 R HA 0.140 3.135 4.340 -2.241 0.000 0.218 213 R C 0.427 176.625 176.300 -0.169 0.000 1.074 213 R CA 1.044 57.124 56.100 -0.033 0.000 0.991 213 R CB 0.119 30.413 30.300 -0.011 0.000 0.883 213 R HN 0.481 nan 8.270 nan 0.000 0.457 214 A N 0.458 123.094 122.820 -0.306 0.000 2.768 214 A HA 0.359 3.334 4.320 -2.241 0.000 0.299 214 A C -0.860 176.143 177.584 -0.969 0.000 1.171 214 A CA -0.665 50.969 52.037 -0.670 0.000 0.759 214 A CB 0.314 19.008 19.000 -0.510 0.000 1.267 214 A HN 0.564 nan 8.150 nan 0.000 0.421 215 H N 0.861 119.599 119.070 -0.552 0.000 3.631 215 H HA -0.255 2.955 4.556 -2.243 0.000 0.202 215 H C 1.474 176.673 175.328 -0.215 0.000 1.029 215 H CA 1.782 57.544 56.048 -0.477 0.000 1.208 215 H CB -1.468 27.876 29.762 -0.695 0.000 1.124 215 H HN 2.224 nan 8.280 nan 0.000 0.329 216 G N -0.085 108.637 108.800 -0.129 0.000 2.155 216 G HA2 -0.307 2.308 3.960 -2.241 0.000 0.257 216 G HA3 -0.307 2.308 3.960 -2.241 0.000 0.257 216 G C 0.323 175.365 174.900 0.237 0.000 0.983 216 G CA 1.202 46.313 45.100 0.017 0.000 0.676 216 G HN 0.684 nan 8.290 nan 0.000 0.528 217 W N -0.186 121.222 121.300 0.181 0.000 2.030 217 W HA 0.713 4.024 4.660 -2.249 0.000 0.412 217 W C 1.058 177.526 176.519 -0.084 0.000 1.715 217 W CA 0.069 57.411 57.345 -0.006 0.000 1.895 217 W CB -0.115 29.294 29.460 -0.083 0.000 1.381 217 W HN 0.511 nan 8.180 nan 0.000 0.717 218 T N -2.367 112.276 114.554 0.150 0.000 3.044 218 T HA 0.224 3.230 4.350 -2.241 0.000 0.260 218 T C 1.276 175.852 174.700 -0.206 0.000 1.019 218 T CA -0.261 61.823 62.100 -0.026 0.000 0.921 218 T CB -0.202 68.603 68.868 -0.104 0.000 1.053 218 T HN 0.500 nan 8.240 nan 0.000 0.533 219 R N 1.634 121.789 120.500 -0.575 0.000 2.170 219 R HA -0.038 2.957 4.340 -2.241 0.000 0.242 219 R C 0.786 176.902 176.300 -0.307 0.000 1.145 219 R CA 1.765 57.444 56.100 -0.702 0.000 0.984 219 R CB -0.390 29.043 30.300 -1.444 0.000 0.869 219 R HN 0.554 nan 8.270 nan 0.000 0.455 220 N N -0.427 118.231 118.700 -0.071 0.000 2.214 220 N HA 0.156 3.552 4.740 -2.241 0.000 0.214 220 N C -0.355 175.117 175.510 -0.063 0.000 1.132 220 N CA -0.130 52.920 53.050 -0.000 0.000 0.856 220 N CB 0.597 39.159 38.487 0.126 0.000 1.020 220 N HN -0.012 nan 8.380 nan 0.000 0.509 221 L N 1.292 122.448 121.223 -0.112 0.000 2.439 221 L HA 0.480 3.475 4.340 -2.241 0.000 0.259 221 L C -1.961 174.792 176.870 -0.194 0.000 1.129 221 L CA -1.804 52.913 54.840 -0.205 0.000 0.803 221 L CB 0.669 42.609 42.059 -0.198 0.000 1.161 221 L HN -0.050 nan 8.230 nan 0.000 0.462 222 P HA 0.197 nan 4.420 nan 0.000 0.285 222 P C -0.180 177.039 177.300 -0.135 0.000 1.269 222 P CA -0.739 62.273 63.100 -0.146 0.000 0.844 222 P CB 1.287 32.920 31.700 -0.111 0.000 1.094 223 K N 0.329 120.679 120.400 -0.084 0.000 2.059 223 K HA -0.191 2.784 4.320 -2.241 0.000 0.212 223 K C 0.773 177.335 176.600 -0.063 0.000 1.050 223 K CA 1.774 58.019 56.287 -0.069 0.000 0.927 223 K CB -0.120 32.353 32.500 -0.044 0.000 0.714 223 K HN 0.300 nan 8.250 nan 0.000 0.447 224 K N 1.150 121.521 120.400 -0.049 0.000 2.235 224 K HA 0.126 3.101 4.320 -2.241 0.000 0.266 224 K C -1.331 175.236 176.600 -0.056 0.000 0.980 224 K CA -0.542 55.727 56.287 -0.030 0.000 0.849 224 K CB 1.152 33.655 32.500 0.005 0.000 1.098 224 K HN 0.249 nan 8.250 nan 0.000 0.445 225 N N 0.864 119.522 118.700 -0.070 0.000 2.610 225 N HA 0.296 3.692 4.740 -2.241 0.000 0.264 225 N C -0.692 174.849 175.510 0.052 0.000 1.348 225 N CA -0.998 51.964 53.050 -0.146 0.000 0.819 225 N CB 1.278 39.503 38.487 -0.437 0.000 1.521 225 N HN 0.396 nan 8.380 nan 0.000 0.497 226 K N 0.084 120.664 120.400 0.301 0.000 2.505 226 K HA 0.110 3.085 4.320 -2.241 0.000 0.192 226 K C 0.325 177.003 176.600 0.130 0.000 1.025 226 K CA 0.216 56.635 56.287 0.221 0.000 1.086 226 K CB 0.017 32.640 32.500 0.204 0.000 0.840 226 K HN 0.361 nan 8.250 nan 0.000 0.514 227 V N 1.020 120.982 119.914 0.081 0.000 2.599 227 V HA -0.141 2.635 4.120 -2.241 0.000 0.237 227 V C 2.455 178.563 176.094 0.023 0.000 1.081 227 V CA 2.018 64.347 62.300 0.048 0.000 1.107 227 V CB 0.084 31.923 31.823 0.025 0.000 0.808 227 V HN 0.430 nan 8.190 nan 0.000 0.486 228 T N -2.964 111.588 114.554 -0.003 0.000 3.010 228 T HA 0.411 3.416 4.350 -2.241 0.000 0.252 228 T C 1.499 176.197 174.700 -0.003 0.000 1.047 228 T CA 1.569 63.663 62.100 -0.009 0.000 1.140 228 T CB 0.781 69.631 68.868 -0.030 0.000 0.885 228 T HN 0.963 nan 8.240 nan 0.000 0.464 229 G N 0.817 109.614 108.800 -0.007 0.000 4.240 229 G HA2 -0.166 2.449 3.960 -2.241 0.000 0.254 229 G HA3 -0.166 2.449 3.960 -2.241 0.000 0.254 229 G C -0.263 174.629 174.900 -0.013 0.000 1.712 229 G CA -0.217 44.885 45.100 0.003 0.000 1.374 229 G HN 0.852 nan 8.290 nan 0.000 0.631 230 V N 2.554 122.459 119.914 -0.015 0.000 2.407 230 V HA 0.504 3.279 4.120 -2.241 0.000 0.291 230 V C 0.054 176.130 176.094 -0.030 0.000 1.018 230 V CA -0.707 61.580 62.300 -0.021 0.000 0.842 230 V CB 1.504 33.321 31.823 -0.011 0.000 0.996 230 V HN 0.482 nan 8.190 nan 0.000 0.426 231 K N 2.794 123.167 120.400 -0.044 0.000 2.339 231 K HA 0.319 3.295 4.320 -2.241 0.000 0.286 231 K C 0.625 177.201 176.600 -0.041 0.000 1.050 231 K CA 0.089 56.344 56.287 -0.053 0.000 0.956 231 K CB 1.103 33.557 32.500 -0.077 0.000 0.990 231 K HN 0.736 nan 8.250 nan 0.000 0.475 232 S N 1.484 117.163 115.700 -0.035 0.000 2.560 232 S HA -0.096 3.030 4.470 -2.241 0.000 0.276 232 S C 0.592 175.176 174.600 -0.027 0.000 1.350 232 S CA 0.049 58.235 58.200 -0.023 0.000 1.024 232 S CB 0.592 63.783 63.200 -0.014 0.000 0.864 232 S HN 0.620 nan 8.310 nan 0.000 0.536 233 D N 0.172 120.562 120.400 -0.016 0.000 2.379 233 D HA 0.185 3.480 4.640 -2.241 0.000 0.208 233 D C -0.443 175.856 176.300 -0.001 0.000 1.065 233 D CA 0.003 53.994 54.000 -0.016 0.000 0.848 233 D CB 0.102 40.892 40.800 -0.015 0.000 0.949 233 D HN 0.594 nan 8.370 nan 0.000 0.509 234 D N 0.532 120.941 120.400 0.015 0.000 2.346 234 D HA -0.008 3.287 4.640 -2.241 0.000 0.260 234 D C 1.098 177.437 176.300 0.065 0.000 1.252 234 D CA 0.170 54.199 54.000 0.049 0.000 0.895 234 D CB 1.031 41.868 40.800 0.061 0.000 1.097 234 D HN -0.136 nan 8.370 nan 0.000 0.489 235 Q N 2.971 122.817 119.800 0.077 0.000 2.046 235 Q HA -0.060 2.935 4.340 -2.241 0.000 0.200 235 Q C 1.501 177.590 176.000 0.149 0.000 0.975 235 Q CA 0.986 56.828 55.803 0.064 0.000 0.836 235 Q CB -0.475 28.296 28.738 0.055 0.000 0.896 235 Q HN 0.689 nan 8.270 nan 0.000 0.428 236 F N 0.915 120.895 119.950 0.051 0.000 2.141 236 F HA -0.310 2.872 4.527 -2.241 0.000 0.300 236 F C 2.072 177.916 175.800 0.074 0.000 1.079 236 F CA 2.006 60.032 58.000 0.044 0.000 1.264 236 F CB 0.008 38.994 39.000 -0.024 0.000 1.011 236 F HN 0.180 nan 8.300 nan 0.000 0.487 237 E N 0.197 120.517 120.200 0.201 0.000 2.033 237 E HA -0.127 2.878 4.350 -2.241 0.000 0.194 237 E C 2.116 178.756 176.600 0.066 0.000 0.960 237 E CA 1.284 57.757 56.400 0.121 0.000 0.842 237 E CB -0.773 28.983 29.700 0.093 0.000 0.816 237 E HN 0.158 nan 8.360 nan 0.000 0.468 238 E N 0.365 120.571 120.200 0.010 0.000 2.136 238 E HA -0.182 2.824 4.350 -2.241 0.000 0.202 238 E C 2.017 178.512 176.600 -0.173 0.000 1.019 238 E CA 1.809 58.165 56.400 -0.073 0.000 0.819 238 E CB -0.711 28.940 29.700 -0.080 0.000 0.739 238 E HN 0.204 nan 8.360 nan 0.000 0.458 239 S N -1.227 114.364 115.700 -0.181 0.000 2.507 239 S HA -0.045 3.080 4.470 -2.241 0.000 0.235 239 S C 0.230 174.280 174.600 -0.916 0.000 0.988 239 S CA 0.600 58.486 58.200 -0.523 0.000 0.944 239 S CB -0.163 62.718 63.200 -0.533 0.000 0.762 239 S HN 0.277 nan 8.310 nan 0.000 0.526 240 F N 0.931 120.656 119.950 -0.376 0.000 2.805 240 F HA 0.441 3.626 4.527 -2.238 0.000 0.317 240 F C 0.145 175.559 175.800 -0.643 0.000 1.146 240 F CA -0.810 56.906 58.000 -0.474 0.000 1.265 240 F CB 0.183 39.014 39.000 -0.280 0.000 0.992 240 F HN -0.180 nan 8.300 nan 0.000 0.511 241 K N 0.906 121.016 120.400 -0.484 0.000 2.183 241 K HA 0.576 3.552 4.320 -2.241 0.000 0.274 241 K C -1.241 175.044 176.600 -0.525 0.000 1.009 241 K CA -0.064 56.023 56.287 -0.334 0.000 0.888 241 K CB 0.664 33.064 32.500 -0.167 0.000 1.078 241 K HN -0.010 nan 8.250 nan 0.000 0.459 242 F N 4.102 124.089 119.950 0.062 0.000 2.467 242 F HA 0.223 3.405 4.527 -2.243 0.000 0.336 242 F C 0.899 176.701 175.800 0.003 0.000 1.123 242 F CA -0.792 57.237 58.000 0.048 0.000 0.964 242 F CB 1.756 40.778 39.000 0.036 0.000 1.136 242 F HN 0.367 nan 8.300 nan 0.000 0.447 243 V N 0.801 120.798 119.914 0.138 0.000 3.612 243 V HA 0.482 3.257 4.120 -2.241 0.000 0.268 243 V C -0.135 175.923 176.094 -0.060 0.000 1.365 243 V CA 0.168 62.488 62.300 0.033 0.000 1.044 243 V CB 0.113 31.942 31.823 0.009 0.000 0.820 243 V HN 0.571 nan 8.190 nan 0.000 0.444 244 L N 0.972 122.128 121.223 -0.112 0.000 2.393 244 L HA 0.612 3.607 4.340 -2.241 0.000 0.260 244 L C -2.797 173.891 176.870 -0.304 0.000 1.002 244 L CA -1.802 52.827 54.840 -0.351 0.000 0.818 244 L CB 2.974 44.734 42.059 -0.499 0.000 1.369 244 L HN -0.095 nan 8.230 nan 0.000 0.412 245 P HA 0.189 nan 4.420 nan 0.000 0.266 245 P C -0.306 176.789 177.300 -0.340 0.000 1.586 245 P CA 0.027 62.944 63.100 -0.305 0.000 1.088 245 P CB 0.799 32.377 31.700 -0.203 0.000 1.584 246 G N 1.936 110.538 108.800 -0.330 0.000 3.019 246 G HA2 0.627 3.242 3.960 -2.241 0.000 0.152 246 G HA3 0.627 3.242 3.960 -2.241 0.000 0.152 246 G C -1.290 173.261 174.900 -0.582 0.000 1.320 246 G CA -0.362 44.553 45.100 -0.308 0.000 1.013 246 G HN 0.289 nan 8.290 nan 0.000 0.593 247 Y N -1.897 118.313 120.300 -0.151 0.000 2.728 247 Y HA 0.481 3.686 4.550 -2.242 0.000 0.330 247 Y C -0.534 175.155 175.900 -0.351 0.000 1.234 247 Y CA -1.067 56.924 58.100 -0.182 0.000 1.070 247 Y CB 1.926 40.323 38.460 -0.105 0.000 1.300 247 Y HN 0.439 nan 8.280 nan 0.000 0.467 248 N N 0.914 119.518 118.700 -0.159 0.000 2.626 248 N HA 0.338 3.733 4.740 -2.241 0.000 0.242 248 N C -1.042 174.383 175.510 -0.142 0.000 1.005 248 N CA -0.456 52.363 53.050 -0.384 0.000 0.905 248 N CB 1.123 39.296 38.487 -0.524 0.000 1.128 248 N HN 0.561 nan 8.380 nan 0.000 0.512 249 V N 0.940 120.789 119.914 -0.110 0.000 2.915 249 V HA 0.512 3.288 4.120 -2.241 0.000 0.364 249 V C 0.405 176.475 176.094 -0.040 0.000 1.354 249 V CA -0.737 61.525 62.300 -0.064 0.000 1.213 249 V CB -0.760 31.015 31.823 -0.079 0.000 1.268 249 V HN 0.313 nan 8.190 nan 0.000 0.557 250 R N 2.471 122.945 120.500 -0.044 0.000 2.623 250 R HA 0.363 3.359 4.340 -2.241 0.000 0.271 250 R C -2.368 173.947 176.300 0.025 0.000 1.043 250 R CA -1.078 55.023 56.100 0.002 0.000 1.083 250 R CB 0.260 30.572 30.300 0.019 0.000 0.974 250 R HN 0.360 nan 8.270 nan 0.000 0.436 251 P HA 0.171 nan 4.420 nan 0.000 0.282 251 P C -0.478 176.857 177.300 0.059 0.000 1.259 251 P CA -0.473 62.652 63.100 0.042 0.000 0.826 251 P CB 0.696 32.416 31.700 0.033 0.000 1.064 252 L N 1.466 122.723 121.223 0.057 0.000 2.395 252 L HA 0.138 3.134 4.340 -2.241 0.000 0.269 252 L C 2.035 178.952 176.870 0.078 0.000 1.133 252 L CA -0.255 54.633 54.840 0.080 0.000 0.812 252 L CB 0.294 42.398 42.059 0.075 0.000 1.125 252 L HN 0.390 nan 8.230 nan 0.000 0.452 253 E N 1.863 122.136 120.200 0.121 0.000 2.086 253 E HA -0.283 2.722 4.350 -2.241 0.000 0.200 253 E C 1.943 178.574 176.600 0.052 0.000 1.012 253 E CA 1.963 58.447 56.400 0.140 0.000 0.812 253 E CB -0.095 29.723 29.700 0.196 0.000 0.743 253 E HN 0.582 nan 8.360 nan 0.000 0.453 254 M N -0.452 119.163 119.600 0.024 0.000 2.143 254 M HA -0.223 2.912 4.480 -2.241 0.000 0.258 254 M C 2.052 178.281 176.300 -0.119 0.000 1.071 254 M CA 1.873 57.132 55.300 -0.068 0.000 1.088 254 M CB -0.036 32.559 32.600 -0.008 0.000 1.360 254 M HN 0.028 nan 8.290 nan 0.000 0.404 255 S N -0.386 115.271 115.700 -0.071 0.000 2.406 255 S HA -0.011 3.115 4.470 -2.241 0.000 0.228 255 S C 1.806 176.258 174.600 -0.246 0.000 1.020 255 S CA 1.000 59.133 58.200 -0.111 0.000 0.965 255 S CB -0.560 62.607 63.200 -0.055 0.000 0.798 255 S HN 0.726 nan 8.310 nan 0.000 0.488 256 G N 1.744 110.430 108.800 -0.189 0.000 2.414 256 G HA2 -0.027 2.588 3.960 -2.241 0.000 0.215 256 G HA3 -0.027 2.588 3.960 -2.241 0.000 0.215 256 G C 1.608 176.407 174.900 -0.170 0.000 1.188 256 G CA 0.800 45.771 45.100 -0.215 0.000 0.783 256 G HN 0.549 nan 8.290 nan 0.000 0.537 257 A N 0.933 123.644 122.820 -0.182 0.000 1.873 257 A HA -0.058 2.917 4.320 -2.241 0.000 0.218 257 A C 2.423 179.838 177.584 -0.281 0.000 1.193 257 A CA 1.615 53.443 52.037 -0.347 0.000 0.629 257 A CB -0.494 18.030 19.000 -0.794 0.000 0.826 257 A HN 0.383 nan 8.150 nan 0.000 0.447 258 I N -0.291 120.087 120.570 -0.319 0.000 2.286 258 I HA -0.197 2.629 4.170 -2.241 0.000 0.248 258 I C 2.632 178.618 176.117 -0.217 0.000 1.115 258 I CA 1.034 62.119 61.300 -0.359 0.000 1.392 258 I CB -0.550 37.194 38.000 -0.427 0.000 1.065 258 I HN 0.407 nan 8.210 nan 0.000 0.418 259 G N 0.963 109.621 108.800 -0.237 0.000 2.422 259 G HA2 -0.192 2.423 3.960 -2.241 0.000 0.218 259 G HA3 -0.192 2.423 3.960 -2.241 0.000 0.218 259 G C 1.707 176.736 174.900 0.216 0.000 1.146 259 G CA 0.504 45.494 45.100 -0.183 0.000 0.769 259 G HN 0.296 nan 8.290 nan 0.000 0.547 260 I N 0.561 121.244 120.570 0.189 0.000 2.163 260 I HA -0.154 2.671 4.170 -2.241 0.000 0.243 260 I C 2.775 178.942 176.117 0.084 0.000 1.085 260 I CA 1.167 62.600 61.300 0.223 0.000 1.347 260 I CB -0.039 38.062 38.000 0.169 0.000 1.044 260 I HN 0.108 nan 8.210 nan 0.000 0.408 261 E N 0.426 120.621 120.200 -0.009 0.000 2.058 261 E HA -0.248 2.757 4.350 -2.241 0.000 0.194 261 E C 2.166 178.751 176.600 -0.025 0.000 0.997 261 E CA 1.181 57.551 56.400 -0.049 0.000 0.801 261 E CB -0.428 29.191 29.700 -0.134 0.000 0.746 261 E HN 0.552 nan 8.360 nan 0.000 0.450 262 Q N 0.344 120.161 119.800 0.028 0.000 2.084 262 Q HA -0.048 2.947 4.340 -2.241 0.000 0.202 262 Q C 2.544 178.562 176.000 0.030 0.000 0.978 262 Q CA 0.619 56.474 55.803 0.087 0.000 0.844 262 Q CB -0.311 28.570 28.738 0.237 0.000 0.898 262 Q HN 0.341 nan 8.270 nan 0.000 0.426 263 L N 0.583 121.871 121.223 0.108 0.000 2.131 263 L HA -0.207 2.788 4.340 -2.241 0.000 0.210 263 L C 2.418 179.239 176.870 -0.083 0.000 1.092 263 L CA 1.178 56.045 54.840 0.045 0.000 0.759 263 L CB -0.260 41.846 42.059 0.079 0.000 0.903 263 L HN 0.218 nan 8.230 nan 0.000 0.435 264 K N 0.126 120.479 120.400 -0.078 0.000 2.097 264 K HA -0.180 2.795 4.320 -2.241 0.000 0.206 264 K C 1.953 178.438 176.600 -0.192 0.000 1.049 264 K CA 1.312 57.530 56.287 -0.115 0.000 0.933 264 K CB 0.070 32.520 32.500 -0.083 0.000 0.717 264 K HN 0.301 nan 8.250 nan 0.000 0.442 265 K N 0.510 120.730 120.400 -0.300 0.000 2.366 265 K HA -0.056 2.919 4.320 -2.241 0.000 0.198 265 K C 1.867 177.982 176.600 -0.808 0.000 1.044 265 K CA 0.218 56.160 56.287 -0.575 0.000 0.973 265 K CB -0.002 32.015 32.500 -0.804 0.000 0.767 265 K HN 0.021 nan 8.250 nan 0.000 0.475 266 L N 2.678 123.599 121.223 -0.504 0.000 1.978 266 L HA -0.190 2.805 4.340 -2.241 0.000 0.218 266 L C -1.180 175.636 176.870 -0.090 0.000 1.075 266 L CA 2.140 56.824 54.840 -0.261 0.000 0.767 266 L CB -1.011 41.027 42.059 -0.035 0.000 0.890 266 L HN 0.063 nan 8.230 nan 0.000 0.434 267 P HA -0.242 nan 4.420 nan 0.000 0.216 267 P C 1.470 178.793 177.300 0.038 0.000 1.150 267 P CA 2.072 65.159 63.100 -0.021 0.000 0.843 267 P CB -0.268 31.396 31.700 -0.059 0.000 0.787 268 R N -0.559 119.939 120.500 -0.003 0.000 2.062 268 R HA -0.087 2.908 4.340 -2.241 0.000 0.231 268 R C 2.306 178.758 176.300 0.254 0.000 1.136 268 R CA 1.408 57.559 56.100 0.085 0.000 0.948 268 R CB -1.284 29.040 30.300 0.041 0.000 0.845 268 R HN 0.103 nan 8.270 nan 0.000 0.430 269 F N 1.032 121.033 119.950 0.086 0.000 2.063 269 F HA -0.300 2.882 4.527 -2.241 0.000 0.298 269 F C 2.316 178.200 175.800 0.142 0.000 1.109 269 F CA 0.523 58.589 58.000 0.110 0.000 1.212 269 F CB -0.186 38.900 39.000 0.145 0.000 0.973 269 F HN 0.084 nan 8.300 nan 0.000 0.480 270 I N -0.377 120.426 120.570 0.389 0.000 2.286 270 I HA -0.270 2.555 4.170 -2.241 0.000 0.248 270 I C 2.639 178.899 176.117 0.238 0.000 1.115 270 I CA 1.309 62.790 61.300 0.302 0.000 1.392 270 I CB -1.651 36.486 38.000 0.229 0.000 1.065 270 I HN 0.120 nan 8.210 nan 0.000 0.418 271 S N 0.913 116.729 115.700 0.194 0.000 2.356 271 S HA -0.120 3.006 4.470 -2.241 0.000 0.223 271 S C 2.227 176.922 174.600 0.158 0.000 1.032 271 S CA 1.518 59.813 58.200 0.159 0.000 1.005 271 S CB -0.290 62.983 63.200 0.121 0.000 0.867 271 S HN 0.217 nan 8.310 nan 0.000 0.449 272 V N 2.164 122.170 119.914 0.154 0.000 2.332 272 V HA -0.165 2.611 4.120 -2.241 0.000 0.248 272 V C 2.727 178.880 176.094 0.098 0.000 1.055 272 V CA 2.115 64.479 62.300 0.106 0.000 1.038 272 V CB -0.786 31.084 31.823 0.079 0.000 0.651 272 V HN 0.434 nan 8.190 nan 0.000 0.450 273 R N -0.158 120.425 120.500 0.138 0.000 2.083 273 R HA -0.162 2.833 4.340 -2.241 0.000 0.237 273 R C 2.542 178.951 176.300 0.181 0.000 1.137 273 R CA 1.805 57.993 56.100 0.147 0.000 0.951 273 R CB -0.328 30.104 30.300 0.219 0.000 0.851 273 R HN 0.521 nan 8.270 nan 0.000 0.434 274 R N 0.336 120.965 120.500 0.214 0.000 2.148 274 R HA -0.065 2.931 4.340 -2.241 0.000 0.227 274 R C 2.139 178.503 176.300 0.107 0.000 1.103 274 R CA 0.948 57.156 56.100 0.180 0.000 0.983 274 R CB -0.099 30.355 30.300 0.257 0.000 0.874 274 R HN 0.196 nan 8.270 nan 0.000 0.451 275 K N 0.527 121.017 120.400 0.151 0.000 2.031 275 K HA -0.029 2.946 4.320 -2.241 0.000 0.205 275 K C 1.733 178.495 176.600 0.269 0.000 1.049 275 K CA 0.999 57.407 56.287 0.202 0.000 0.939 275 K CB -0.079 32.562 32.500 0.236 0.000 0.717 275 K HN 0.107 nan 8.250 nan 0.000 0.438 276 N N 1.134 119.957 118.700 0.205 0.000 2.205 276 N HA -0.148 3.247 4.740 -2.241 0.000 0.186 276 N C 1.641 177.301 175.510 0.249 0.000 1.015 276 N CA 1.265 54.459 53.050 0.241 0.000 0.862 276 N CB -0.243 38.325 38.487 0.136 0.000 0.986 276 N HN 0.189 nan 8.380 nan 0.000 0.429 277 A N 1.014 123.879 122.820 0.075 0.000 1.898 277 A HA -0.129 2.847 4.320 -2.241 0.000 0.216 277 A C 2.151 179.581 177.584 -0.257 0.000 1.181 277 A CA 1.221 53.081 52.037 -0.296 0.000 0.620 277 A CB -0.491 17.817 19.000 -1.153 0.000 0.819 277 A HN 0.313 nan 8.150 nan 0.000 0.442 278 E N -1.381 118.761 120.200 -0.096 0.000 2.058 278 E HA -0.254 2.751 4.350 -2.241 0.000 0.194 278 E C 1.846 178.488 176.600 0.070 0.000 0.997 278 E CA 1.679 58.076 56.400 -0.006 0.000 0.801 278 E CB -0.301 29.435 29.700 0.061 0.000 0.746 278 E HN 0.717 nan 8.360 nan 0.000 0.450 279 Y N 0.096 120.420 120.300 0.041 0.000 2.224 279 Y HA -0.247 2.958 4.550 -2.241 0.000 0.289 279 Y C 1.999 177.937 175.900 0.063 0.000 1.146 279 Y CA 1.851 59.984 58.100 0.056 0.000 1.182 279 Y CB -0.453 38.121 38.460 0.190 0.000 0.983 279 Y HN 0.145 nan 8.280 nan 0.000 0.524 280 F N 0.311 120.255 119.950 -0.010 0.000 2.069 280 F HA -0.255 2.928 4.527 -2.240 0.000 0.298 280 F C 1.883 177.600 175.800 -0.138 0.000 1.113 280 F CA 1.903 59.793 58.000 -0.184 0.000 1.214 280 F CB -0.834 37.687 39.000 -0.798 0.000 0.978 280 F HN 0.016 nan 8.300 nan 0.000 0.474 281 L N 0.110 121.169 121.223 -0.274 0.000 2.127 281 L HA -0.222 2.773 4.340 -2.241 0.000 0.211 281 L C 2.147 178.872 176.870 -0.242 0.000 1.089 281 L CA 1.843 56.498 54.840 -0.309 0.000 0.757 281 L CB -0.912 41.068 42.059 -0.132 0.000 0.899 281 L HN 0.252 nan 8.230 nan 0.000 0.434 282 D N -0.045 120.224 120.400 -0.218 0.000 2.097 282 D HA -0.186 3.110 4.640 -2.241 0.000 0.197 282 D C 2.217 178.338 176.300 -0.297 0.000 0.984 282 D CA 1.039 54.904 54.000 -0.224 0.000 0.826 282 D CB 0.225 40.886 40.800 -0.231 0.000 0.973 282 D HN -0.036 nan 8.370 nan 0.000 0.460 283 K N -0.580 119.580 120.400 -0.399 0.000 2.211 283 K HA -0.081 2.895 4.320 -2.241 0.000 0.203 283 K C 1.253 177.514 176.600 -0.566 0.000 1.050 283 K CA 0.708 56.705 56.287 -0.484 0.000 0.945 283 K CB -0.159 32.037 32.500 -0.507 0.000 0.732 283 K HN 0.338 nan 8.250 nan 0.000 0.451 284 F N 1.305 120.994 119.950 -0.436 0.000 2.678 284 F HA 0.078 3.260 4.527 -2.241 0.000 0.305 284 F C 0.654 176.338 175.800 -0.193 0.000 1.090 284 F CA -0.523 57.270 58.000 -0.345 0.000 1.272 284 F CB 0.220 38.873 39.000 -0.578 0.000 1.060 284 F HN -0.158 nan 8.300 nan 0.000 0.576 285 K N 0.099 120.460 120.400 -0.064 0.000 2.326 285 K HA 0.096 3.072 4.320 -2.241 0.000 0.275 285 K C -0.176 176.415 176.600 -0.015 0.000 1.018 285 K CA -0.000 56.274 56.287 -0.021 0.000 0.962 285 K CB 0.353 32.827 32.500 -0.044 0.000 0.953 285 K HN 0.030 nan 8.250 nan 0.000 0.475 286 D N 0.163 120.573 120.400 0.017 0.000 2.945 286 D HA -0.202 3.094 4.640 -2.241 0.000 0.225 286 D C -0.420 175.871 176.300 -0.016 0.000 1.158 286 D CA 0.997 54.996 54.000 -0.002 0.000 0.805 286 D CB -1.549 39.231 40.800 -0.034 0.000 1.098 286 D HN 0.797 nan 8.370 nan 0.000 0.426 287 H N 0.782 119.812 119.070 -0.068 0.000 2.815 287 H HA 0.054 3.265 4.556 -2.241 0.000 0.350 287 H C -1.264 174.004 175.328 -0.100 0.000 1.080 287 H CA -0.460 55.517 56.048 -0.119 0.000 1.433 287 H CB 1.357 31.065 29.762 -0.090 0.000 1.432 287 H HN -0.069 nan 8.280 nan 0.000 0.592 288 P HA -0.158 nan 4.420 nan 0.000 0.216 288 P C 0.227 177.607 177.300 0.134 0.000 1.153 288 P CA 1.677 64.683 63.100 -0.157 0.000 0.848 288 P CB -0.083 31.514 31.700 -0.172 0.000 0.787 289 Y N -2.784 117.699 120.300 0.306 0.000 2.738 289 Y HA 0.614 3.820 4.550 -2.241 0.000 0.249 289 Y C -0.171 175.884 175.900 0.257 0.000 1.153 289 Y CA -1.054 57.199 58.100 0.256 0.000 1.165 289 Y CB -0.448 38.107 38.460 0.158 0.000 1.235 289 Y HN -0.274 nan 8.280 nan 0.000 0.559 290 L N 1.631 122.934 121.223 0.133 0.000 2.431 290 L HA 0.535 3.530 4.340 -2.241 0.000 0.266 290 L C -1.164 175.780 176.870 0.123 0.000 0.978 290 L CA -0.913 53.926 54.840 -0.002 0.000 0.822 290 L CB 2.317 44.103 42.059 -0.455 0.000 1.310 290 L HN 0.042 nan 8.230 nan 0.000 0.409 291 D N 1.727 122.240 120.400 0.188 0.000 2.185 291 D HA 0.535 3.830 4.640 -2.241 0.000 0.247 291 D C -0.331 176.104 176.300 0.225 0.000 1.027 291 D CA -0.152 53.961 54.000 0.187 0.000 0.861 291 D CB 3.034 43.939 40.800 0.174 0.000 1.202 291 D HN 0.267 nan 8.370 nan 0.000 0.453 292 V N -0.423 119.608 119.914 0.195 0.000 3.267 292 V HA 0.482 3.257 4.120 -2.241 0.000 0.317 292 V C 0.027 176.250 176.094 0.217 0.000 1.131 292 V CA -0.952 61.474 62.300 0.209 0.000 1.031 292 V CB 1.512 33.451 31.823 0.193 0.000 1.159 292 V HN 0.453 nan 8.190 nan 0.000 0.454 293 Q N 0.739 120.704 119.800 0.275 0.000 2.293 293 Q HA 0.261 3.257 4.340 -2.241 0.000 0.251 293 Q C -0.271 175.872 176.000 0.238 0.000 0.930 293 Q CA -0.267 55.664 55.803 0.213 0.000 0.893 293 Q CB 0.989 29.818 28.738 0.153 0.000 1.215 293 Q HN 0.853 nan 8.270 nan 0.000 0.425 294 Q N 3.466 123.355 119.800 0.148 0.000 2.314 294 Q HA 0.080 3.075 4.340 -2.241 0.000 0.257 294 Q C -0.869 175.196 176.000 0.107 0.000 0.975 294 Q CA -0.157 55.733 55.803 0.146 0.000 0.933 294 Q CB 0.964 29.761 28.738 0.097 0.000 1.195 294 Q HN 0.667 nan 8.270 nan 0.000 0.426 295 E N 2.732 123.037 120.200 0.175 0.000 2.373 295 E HA 0.136 3.142 4.350 -2.241 0.000 0.267 295 E C -1.089 175.571 176.600 0.100 0.000 1.032 295 E CA 0.082 56.550 56.400 0.113 0.000 0.889 295 E CB 0.918 30.797 29.700 0.297 0.000 0.984 295 E HN 0.505 nan 8.360 nan 0.000 0.425 296 T N 2.912 117.504 114.554 0.062 0.000 2.861 296 T HA 0.549 3.554 4.350 -2.241 0.000 0.287 296 T C 0.132 174.952 174.700 0.200 0.000 1.003 296 T CA -0.068 62.102 62.100 0.116 0.000 0.977 296 T CB 1.472 70.350 68.868 0.018 0.000 0.996 296 T HN 0.906 nan 8.240 nan 0.000 0.448 297 G N 2.912 111.895 108.800 0.305 0.000 2.594 297 G HA2 -0.201 2.414 3.960 -2.241 0.000 0.297 297 G HA3 -0.201 2.414 3.960 -2.241 0.000 0.297 297 G C -0.683 174.337 174.900 0.199 0.000 1.273 297 G CA 0.261 45.532 45.100 0.285 0.000 0.974 297 G HN 0.853 nan 8.290 nan 0.000 0.552 298 E N 0.177 120.495 120.200 0.196 0.000 2.207 298 E HA 0.510 3.515 4.350 -2.241 0.000 0.250 298 E C -0.283 176.416 176.600 0.166 0.000 0.890 298 E CA -0.213 56.306 56.400 0.198 0.000 0.749 298 E CB 1.417 31.226 29.700 0.182 0.000 1.193 298 E HN 0.629 nan 8.360 nan 0.000 0.423 299 S N 1.903 117.668 115.700 0.108 0.000 2.572 299 S HA 0.045 3.170 4.470 -2.241 0.000 0.279 299 S C 1.006 175.610 174.600 0.007 0.000 1.341 299 S CA 0.071 58.189 58.200 -0.138 0.000 1.043 299 S CB 0.512 63.271 63.200 -0.736 0.000 0.887 299 S HN 0.527 nan 8.310 nan 0.000 0.516 300 S N 3.398 119.110 115.700 0.021 0.000 2.660 300 S HA 0.095 3.220 4.470 -2.241 0.000 0.227 300 S C -0.176 174.690 174.600 0.442 0.000 0.948 300 S CA -0.505 57.830 58.200 0.224 0.000 0.948 300 S CB -0.985 62.234 63.200 0.032 0.000 0.779 300 S HN 0.873 nan 8.310 nan 0.000 0.487 301 W N 0.818 122.269 121.300 0.251 0.000 7.006 301 W HA -0.288 3.027 4.660 -2.242 0.000 0.427 301 W C 0.630 177.189 176.519 0.065 0.000 1.736 301 W CA 0.007 57.444 57.345 0.153 0.000 1.135 301 W CB -2.465 27.073 29.460 0.131 0.000 2.954 301 W HN 0.517 nan 8.180 nan 0.000 1.512 302 F N 0.998 121.009 119.950 0.103 0.000 2.126 302 F HA 0.083 3.264 4.527 -2.243 0.000 0.299 302 F C 1.678 177.359 175.800 -0.197 0.000 1.096 302 F CA 2.408 60.361 58.000 -0.078 0.000 1.255 302 F CB 0.006 39.030 39.000 0.040 0.000 0.997 302 F HN 0.039 nan 8.300 nan 0.000 0.479 303 G N -1.874 106.814 108.800 -0.187 0.000 2.606 303 G HA2 0.424 3.039 3.960 -2.241 0.000 0.300 303 G HA3 0.424 3.039 3.960 -2.241 0.000 0.300 303 G C -1.889 172.531 174.900 -0.800 0.000 1.360 303 G CA -0.901 43.722 45.100 -0.795 0.000 0.783 303 G HN -0.004 nan 8.290 nan 0.000 0.484 304 F N 1.806 121.233 119.950 -0.871 0.000 2.427 304 F HA 0.505 3.689 4.527 -2.240 0.000 0.348 304 F C 0.883 176.202 175.800 -0.802 0.000 1.125 304 F CA -0.864 56.641 58.000 -0.825 0.000 0.989 304 F CB 2.390 40.535 39.000 -1.426 0.000 1.165 304 F HN 0.500 nan 8.300 nan 0.000 0.442 305 S N 2.656 118.243 115.700 -0.189 0.000 2.646 305 S HA 0.771 3.897 4.470 -2.241 0.000 0.276 305 S C -1.011 173.390 174.600 -0.333 0.000 1.222 305 S CA -0.517 57.627 58.200 -0.093 0.000 1.014 305 S CB 1.339 64.625 63.200 0.142 0.000 0.991 305 S HN 0.449 nan 8.310 nan 0.000 0.533 306 F N -0.038 119.985 119.950 0.122 0.000 2.591 306 F HA 0.586 3.768 4.527 -2.240 0.000 0.309 306 F C -0.354 175.502 175.800 0.094 0.000 1.098 306 F CA -1.113 56.928 58.000 0.069 0.000 0.937 306 F CB 1.887 40.880 39.000 -0.012 0.000 1.250 306 F HN 0.398 nan 8.300 nan 0.000 0.447 307 I N 3.846 124.611 120.570 0.325 0.000 2.466 307 I HA 0.373 3.198 4.170 -2.241 0.000 0.289 307 I C -0.384 175.889 176.117 0.261 0.000 1.026 307 I CA -0.627 60.829 61.300 0.260 0.000 1.078 307 I CB 2.088 40.252 38.000 0.273 0.000 1.249 307 I HN 0.494 nan 8.210 nan 0.000 0.429 308 I N 5.502 126.204 120.570 0.220 0.000 2.598 308 I HA 0.024 2.850 4.170 -2.241 0.000 0.284 308 I C 0.951 177.262 176.117 0.324 0.000 1.140 308 I CA -0.020 61.427 61.300 0.244 0.000 1.420 308 I CB 0.168 38.265 38.000 0.161 0.000 1.387 308 I HN 0.413 nan 8.210 nan 0.000 0.553 309 K N 5.788 126.365 120.400 0.295 0.000 2.489 309 K HA 0.010 2.985 4.320 -2.241 0.000 0.278 309 K C 0.062 176.807 176.600 0.242 0.000 1.000 309 K CA -0.031 56.406 56.287 0.249 0.000 1.012 309 K CB 0.383 33.018 32.500 0.226 0.000 0.903 309 K HN 0.368 nan 8.250 nan 0.000 0.485 310 K N 2.456 122.964 120.400 0.179 0.000 2.489 310 K HA -0.123 2.853 4.320 -2.241 0.000 0.278 310 K C -0.353 176.313 176.600 0.109 0.000 1.000 310 K CA 0.759 57.127 56.287 0.134 0.000 1.012 310 K CB 0.244 32.731 32.500 -0.021 0.000 0.903 310 K HN 0.582 nan 8.250 nan 0.000 0.485 311 D N 1.564 122.030 120.400 0.109 0.000 2.723 311 D HA -0.148 3.148 4.640 -2.241 0.000 0.236 311 D C -0.076 176.265 176.300 0.068 0.000 1.138 311 D CA 1.405 55.448 54.000 0.072 0.000 0.676 311 D CB -0.976 39.853 40.800 0.048 0.000 1.069 311 D HN 0.618 nan 8.370 nan 0.000 0.430 312 S N -1.896 113.854 115.700 0.082 0.000 2.540 312 S HA 0.367 3.492 4.470 -2.241 0.000 0.222 312 S C 1.615 176.223 174.600 0.013 0.000 1.008 312 S CA 0.741 58.983 58.200 0.071 0.000 0.939 312 S CB 1.234 64.519 63.200 0.142 0.000 0.865 312 S HN 0.742 nan 8.310 nan 0.000 0.499 313 G N 1.306 110.117 108.800 0.018 0.000 2.225 313 G HA2 -0.230 2.385 3.960 -2.241 0.000 0.267 313 G HA3 -0.230 2.385 3.960 -2.241 0.000 0.267 313 G C -0.009 174.856 174.900 -0.057 0.000 1.024 313 G CA 0.326 45.419 45.100 -0.013 0.000 0.784 313 G HN 0.739 nan 8.290 nan 0.000 0.507 314 V N 1.100 120.973 119.914 -0.068 0.000 2.567 314 V HA 0.578 3.354 4.120 -2.241 0.000 0.289 314 V C 0.676 176.736 176.094 -0.055 0.000 1.049 314 V CA -1.005 61.216 62.300 -0.132 0.000 0.969 314 V CB 1.881 33.561 31.823 -0.237 0.000 0.995 314 V HN 0.208 nan 8.190 nan 0.000 0.471 315 I N 4.282 124.816 120.570 -0.059 0.000 2.362 315 I HA 0.382 3.207 4.170 -2.241 0.000 0.289 315 I C 1.305 177.409 176.117 -0.022 0.000 0.994 315 I CA -0.181 61.098 61.300 -0.034 0.000 1.158 315 I CB 1.389 39.369 38.000 -0.032 0.000 1.315 315 I HN 0.718 nan 8.210 nan 0.000 0.451 316 R N 4.670 125.161 120.500 -0.015 0.000 2.117 316 R HA -0.248 2.747 4.340 -2.241 0.000 0.243 316 R C 1.726 178.028 176.300 0.003 0.000 1.143 316 R CA 2.098 58.198 56.100 0.000 0.000 0.968 316 R CB 0.133 30.432 30.300 -0.001 0.000 0.863 316 R HN 0.495 nan 8.270 nan 0.000 0.444 317 K N 0.528 120.925 120.400 -0.004 0.000 2.074 317 K HA -0.218 2.757 4.320 -2.241 0.000 0.209 317 K C 2.070 178.670 176.600 0.001 0.000 1.048 317 K CA 2.011 58.298 56.287 -0.000 0.000 0.926 317 K CB -0.011 32.486 32.500 -0.005 0.000 0.713 317 K HN 0.334 nan 8.250 nan 0.000 0.444 318 Q N -0.352 119.443 119.800 -0.007 0.000 2.050 318 Q HA -0.169 2.826 4.340 -2.241 0.000 0.202 318 Q C 2.008 178.008 176.000 -0.001 0.000 0.980 318 Q CA 1.586 57.383 55.803 -0.009 0.000 0.840 318 Q CB -0.153 28.570 28.738 -0.026 0.000 0.898 318 Q HN 0.189 nan 8.270 nan 0.000 0.424 319 L N -0.216 121.010 121.223 0.004 0.000 2.083 319 L HA -0.159 2.837 4.340 -2.241 0.000 0.209 319 L C 2.280 179.157 176.870 0.013 0.000 1.083 319 L CA 1.188 56.037 54.840 0.014 0.000 0.752 319 L CB -0.882 41.194 42.059 0.029 0.000 0.899 319 L HN 0.053 nan 8.230 nan 0.000 0.433 320 V N -0.231 119.694 119.914 0.018 0.000 2.287 320 V HA -0.307 2.469 4.120 -2.241 0.000 0.248 320 V C 2.438 178.543 176.094 0.019 0.000 1.053 320 V CA 1.903 64.217 62.300 0.024 0.000 1.027 320 V CB -0.623 31.217 31.823 0.028 0.000 0.646 320 V HN 0.530 nan 8.190 nan 0.000 0.447 321 E N 0.183 120.392 120.200 0.015 0.000 2.051 321 E HA -0.223 2.782 4.350 -2.241 0.000 0.192 321 E C 2.067 178.676 176.600 0.016 0.000 0.991 321 E CA 1.449 57.858 56.400 0.016 0.000 0.799 321 E CB -0.431 29.276 29.700 0.011 0.000 0.748 321 E HN 0.693 nan 8.360 nan 0.000 0.449 322 N N 0.884 119.590 118.700 0.010 0.000 2.060 322 N HA -0.199 3.197 4.740 -2.241 0.000 0.195 322 N C 2.067 177.578 175.510 0.003 0.000 1.028 322 N CA 1.024 54.078 53.050 0.006 0.000 0.861 322 N CB -0.138 38.350 38.487 0.001 0.000 1.029 322 N HN 0.081 nan 8.380 nan 0.000 0.428 323 L N 0.995 122.218 121.223 0.000 0.000 2.027 323 L HA -0.144 2.851 4.340 -2.241 0.000 0.206 323 L C 1.981 178.861 176.870 0.018 0.000 1.074 323 L CA 0.888 55.724 54.840 -0.008 0.000 0.745 323 L CB -0.492 41.560 42.059 -0.011 0.000 0.898 323 L HN 0.220 nan 8.230 nan 0.000 0.433 324 N N -0.245 118.471 118.700 0.027 0.000 2.120 324 N HA -0.191 3.205 4.740 -2.241 0.000 0.188 324 N C 2.019 177.562 175.510 0.055 0.000 1.024 324 N CA 1.732 54.807 53.050 0.042 0.000 0.852 324 N CB -0.446 38.063 38.487 0.037 0.000 1.003 324 N HN 0.294 nan 8.380 nan 0.000 0.424 325 S N 0.098 115.826 115.700 0.048 0.000 2.500 325 S HA 0.050 3.176 4.470 -2.241 0.000 0.239 325 S C 1.499 176.152 174.600 0.089 0.000 0.989 325 S CA 0.836 59.071 58.200 0.058 0.000 0.951 325 S CB -0.038 63.188 63.200 0.044 0.000 0.759 325 S HN 0.328 nan 8.310 nan 0.000 0.523 326 A N -0.233 122.649 122.820 0.102 0.000 2.387 326 A HA 0.628 3.603 4.320 -2.241 0.000 0.234 326 A C 1.448 179.193 177.584 0.269 0.000 1.253 326 A CA 0.310 52.464 52.037 0.196 0.000 0.894 326 A CB -0.765 18.288 19.000 0.088 0.000 0.963 326 A HN 1.473 nan 8.150 nan 0.000 0.508 327 G N -0.140 108.762 108.800 0.171 0.000 2.160 327 G HA2 -0.207 2.408 3.960 -2.241 0.000 0.244 327 G HA3 -0.207 2.408 3.960 -2.241 0.000 0.244 327 G C -0.086 174.928 174.900 0.189 0.000 1.022 327 G CA 0.394 45.593 45.100 0.165 0.000 0.741 327 G HN 0.517 nan 8.290 nan 0.000 0.508 328 I N 0.837 121.488 120.570 0.136 0.000 2.355 328 I HA 0.302 3.127 4.170 -2.241 0.000 0.288 328 I C 0.370 176.473 176.117 -0.023 0.000 0.999 328 I CA -0.767 60.566 61.300 0.054 0.000 1.163 328 I CB 1.248 39.244 38.000 -0.007 0.000 1.316 328 I HN 0.155 nan 8.210 nan 0.000 0.454 329 E N 5.569 125.745 120.200 -0.041 0.000 2.343 329 E HA 0.440 3.446 4.350 -2.241 0.000 0.269 329 E C -0.608 175.957 176.600 -0.059 0.000 1.047 329 E CA -0.540 55.850 56.400 -0.016 0.000 0.874 329 E CB 1.433 31.150 29.700 0.028 0.000 1.033 329 E HN 0.705 nan 8.360 nan 0.000 0.409 330 C N 0.805 120.113 119.300 0.013 0.000 3.323 330 C HA 0.881 3.996 4.460 -2.241 0.000 0.324 330 C C -0.874 174.191 174.990 0.124 0.000 1.428 330 C CA -1.021 58.032 59.018 0.059 0.000 1.368 330 C CB 1.461 29.233 27.740 0.054 0.000 1.731 330 C HN 1.104 nan 8.230 nan 0.000 0.455 331 R N -0.694 119.924 120.500 0.196 0.000 2.762 331 R HA 0.814 3.810 4.340 -2.241 0.000 0.271 331 R C -3.241 173.155 176.300 0.161 0.000 1.038 331 R CA -1.173 55.022 56.100 0.157 0.000 0.906 331 R CB 0.257 30.647 30.300 0.149 0.000 1.259 331 R HN 0.505 nan 8.270 nan 0.000 0.457 332 P HA 0.144 nan 4.420 nan 0.000 0.274 332 P C -0.247 177.089 177.300 0.059 0.000 1.260 332 P CA -0.285 62.865 63.100 0.084 0.000 0.793 332 P CB 0.480 32.212 31.700 0.054 0.000 1.048 333 I N 0.724 121.331 120.570 0.061 0.000 2.379 333 I HA -0.004 2.822 4.170 -2.241 0.000 0.290 333 I C 1.208 177.296 176.117 -0.048 0.000 1.063 333 I CA 0.184 61.489 61.300 0.009 0.000 1.351 333 I CB -0.046 38.007 38.000 0.087 0.000 1.410 333 I HN 0.233 nan 8.210 nan 0.000 0.505 334 V N 3.733 123.538 119.914 -0.181 0.000 0.688 334 V HA -0.441 2.334 4.120 -2.241 0.000 0.092 334 V C 1.275 177.416 176.094 0.079 0.000 0.827 334 V CA 2.272 64.536 62.300 -0.060 0.000 3.108 334 V CB -1.596 30.223 31.823 -0.007 0.000 0.219 334 V HN 0.971 nan 8.190 nan 0.000 0.146 335 T N -0.880 113.747 114.554 0.120 0.000 3.200 335 T HA 0.573 3.578 4.350 -2.241 0.000 0.284 335 T C 0.769 175.507 174.700 0.063 0.000 1.009 335 T CA 1.265 63.429 62.100 0.106 0.000 0.907 335 T CB 0.271 69.191 68.868 0.088 0.000 1.120 335 T HN 2.795 nan 8.240 nan 0.000 0.534 336 G N 2.367 111.201 108.800 0.056 0.000 2.553 336 G HA2 -0.244 2.371 3.960 -2.241 0.000 0.242 336 G HA3 -0.244 2.371 3.960 -2.241 0.000 0.242 336 G C -0.456 174.471 174.900 0.045 0.000 1.277 336 G CA -0.316 44.805 45.100 0.035 0.000 0.910 336 G HN 0.807 nan 8.290 nan 0.000 0.576 337 N N 0.667 119.370 118.700 0.005 0.000 2.420 337 N HA 0.377 3.772 4.740 -2.241 0.000 0.262 337 N C 0.918 176.392 175.510 -0.060 0.000 1.144 337 N CA -0.169 52.873 53.050 -0.013 0.000 0.952 337 N CB 0.271 38.727 38.487 -0.051 0.000 1.081 337 N HN 0.529 nan 8.380 nan 0.000 0.480 338 F N 3.826 123.660 119.950 -0.194 0.000 2.293 338 F HA 0.056 3.239 4.527 -2.241 0.000 0.300 338 F C 1.566 177.096 175.800 -0.451 0.000 1.086 338 F CA 0.846 58.657 58.000 -0.314 0.000 1.375 338 F CB 0.114 38.872 39.000 -0.402 0.000 1.045 338 F HN 0.592 nan 8.300 nan 0.000 0.516 339 L N 0.604 121.561 121.223 -0.443 0.000 2.549 339 L HA -0.184 2.811 4.340 -2.241 0.000 0.229 339 L C 2.249 178.850 176.870 -0.448 0.000 1.158 339 L CA 1.080 55.583 54.840 -0.561 0.000 0.842 339 L CB -0.654 41.133 42.059 -0.453 0.000 0.952 339 L HN 0.205 nan 8.230 nan 0.000 0.452 340 K N -1.259 118.909 120.400 -0.387 0.000 2.418 340 K HA -0.016 2.959 4.320 -2.241 0.000 0.195 340 K C 0.431 176.820 176.600 -0.351 0.000 1.035 340 K CA 0.375 56.483 56.287 -0.297 0.000 1.003 340 K CB -0.076 32.295 32.500 -0.215 0.000 0.793 340 K HN 0.197 nan 8.250 nan 0.000 0.494 341 N N 3.088 121.462 118.700 -0.542 0.000 3.254 341 N HA -0.030 3.365 4.740 -2.241 0.000 0.308 341 N C 0.548 175.808 175.510 -0.417 0.000 1.281 341 N CA 0.508 53.254 53.050 -0.507 0.000 1.212 341 N CB 1.013 39.035 38.487 -0.775 0.000 1.478 341 N HN 0.387 nan 8.380 nan 0.000 0.548 342 T N -2.657 111.723 114.554 -0.291 0.000 2.897 342 T HA -0.149 2.857 4.350 -2.241 0.000 0.271 342 T C 1.142 175.749 174.700 -0.155 0.000 1.084 342 T CA 1.051 63.022 62.100 -0.215 0.000 1.123 342 T CB 0.180 68.961 68.868 -0.145 0.000 0.865 342 T HN 0.075 nan 8.240 nan 0.000 0.496 343 D N 0.623 120.945 120.400 -0.130 0.000 2.117 343 D HA -0.019 3.277 4.640 -2.241 0.000 0.198 343 D C 2.218 178.524 176.300 0.009 0.000 0.982 343 D CA 0.841 54.803 54.000 -0.063 0.000 0.828 343 D CB -0.450 40.327 40.800 -0.037 0.000 0.967 343 D HN 0.353 nan 8.370 nan 0.000 0.464 344 V N 0.564 120.491 119.914 0.022 0.000 2.788 344 V HA -0.049 2.726 4.120 -2.241 0.000 0.251 344 V C 2.293 178.561 176.094 0.291 0.000 1.068 344 V CA 0.625 63.076 62.300 0.252 0.000 1.090 344 V CB -0.175 31.780 31.823 0.220 0.000 0.710 344 V HN 0.129 nan 8.190 nan 0.000 0.467 345 L N 0.836 122.015 121.223 -0.073 0.000 2.187 345 L HA -0.195 2.800 4.340 -2.241 0.000 0.213 345 L C 2.581 179.496 176.870 0.075 0.000 1.100 345 L CA 2.139 56.840 54.840 -0.233 0.000 0.765 345 L CB -0.566 41.165 42.059 -0.546 0.000 0.904 345 L HN 0.487 nan 8.230 nan 0.000 0.437 346 K N -0.799 119.587 120.400 -0.023 0.000 2.519 346 K HA -0.192 2.783 4.320 -2.241 0.000 0.196 346 K C 1.200 177.699 176.600 -0.169 0.000 1.041 346 K CA 1.368 57.585 56.287 -0.117 0.000 0.954 346 K CB -0.250 32.085 32.500 -0.274 0.000 0.774 346 K HN 0.330 nan 8.250 nan 0.000 0.480 347 Y N -0.184 120.282 120.300 0.277 0.000 2.462 347 Y HA 0.228 3.434 4.550 -2.240 0.000 0.261 347 Y C 0.278 176.284 175.900 0.176 0.000 1.146 347 Y CA -0.764 57.438 58.100 0.171 0.000 1.283 347 Y CB 0.309 38.812 38.460 0.071 0.000 1.090 347 Y HN -0.118 nan 8.280 nan 0.000 0.526 348 F N 0.515 120.608 119.950 0.237 0.000 2.378 348 F HA 0.222 3.404 4.527 -2.241 0.000 0.325 348 F C 0.323 176.324 175.800 0.334 0.000 1.097 348 F CA -1.539 56.624 58.000 0.273 0.000 1.079 348 F CB 0.549 39.696 39.000 0.245 0.000 1.240 348 F HN -0.206 nan 8.300 nan 0.000 0.519 349 D N 2.251 122.928 120.400 0.461 0.000 2.485 349 D HA 0.181 3.476 4.640 -2.241 0.000 0.221 349 D C -1.276 175.284 176.300 0.433 0.000 1.112 349 D CA -0.004 54.192 54.000 0.326 0.000 0.911 349 D CB -0.357 40.560 40.800 0.194 0.000 1.019 349 D HN 0.415 nan 8.370 nan 0.000 0.516 350 Y N -0.402 120.047 120.300 0.248 0.000 2.609 350 Y HA 0.726 3.932 4.550 -2.241 0.000 0.342 350 Y C -0.984 175.039 175.900 0.206 0.000 1.058 350 Y CA -1.080 57.184 58.100 0.273 0.000 1.055 350 Y CB 1.719 40.434 38.460 0.424 0.000 1.292 350 Y HN 0.020 nan 8.280 nan 0.000 0.476 351 T N 1.307 116.004 114.554 0.239 0.000 2.916 351 T HA 0.574 3.579 4.350 -2.241 0.000 0.305 351 T C -2.072 172.817 174.700 0.315 0.000 1.119 351 T CA -0.582 61.569 62.100 0.086 0.000 1.008 351 T CB 1.495 70.391 68.868 0.046 0.000 1.129 351 T HN 0.686 nan 8.240 nan 0.000 0.480 352 V N 4.617 124.651 119.914 0.199 0.000 2.347 352 V HA 0.353 3.128 4.120 -2.241 0.000 0.280 352 V C -0.006 176.191 176.094 0.170 0.000 1.021 352 V CA -0.756 61.687 62.300 0.238 0.000 0.847 352 V CB 0.665 32.571 31.823 0.139 0.000 0.990 352 V HN 0.971 nan 8.190 nan 0.000 0.444 353 H N 6.046 125.193 119.070 0.128 0.000 2.767 353 H HA 0.276 3.487 4.556 -2.241 0.000 0.316 353 H C 1.050 176.412 175.328 0.058 0.000 1.059 353 H CA 1.117 57.210 56.048 0.075 0.000 1.461 353 H CB 0.479 30.279 29.762 0.064 0.000 1.475 353 H HN 0.817 nan 8.280 nan 0.000 0.531 354 N N 3.132 121.496 118.700 -0.559 0.000 3.348 354 N HA -0.385 3.011 4.740 -2.241 0.000 0.192 354 N C -1.030 174.404 175.510 -0.127 0.000 0.298 354 N CA 2.745 55.561 53.050 -0.391 0.000 2.113 354 N CB -1.133 37.075 38.487 -0.465 0.000 1.347 354 N HN 1.022 nan 8.380 nan 0.000 0.389 355 N N -2.193 116.484 118.700 -0.039 0.000 3.046 355 N HA 0.454 3.849 4.740 -2.241 0.000 0.243 355 N C -0.973 174.561 175.510 0.039 0.000 1.452 355 N CA -0.207 52.842 53.050 -0.002 0.000 0.882 355 N CB 1.495 39.976 38.487 -0.011 0.000 1.425 355 N HN 0.687 nan 8.380 nan 0.000 0.517 356 V N -3.138 116.794 119.914 0.030 0.000 2.778 356 V HA 0.466 3.241 4.120 -2.241 0.000 0.356 356 V C -0.227 175.891 176.094 0.039 0.000 1.283 356 V CA -0.389 61.936 62.300 0.041 0.000 1.247 356 V CB 0.085 31.922 31.823 0.024 0.000 1.408 356 V HN 0.606 nan 8.190 nan 0.000 0.620 357 D N 1.544 121.969 120.400 0.041 0.000 2.144 357 D HA -0.128 3.168 4.640 -2.241 0.000 0.199 357 D C 1.809 178.161 176.300 0.087 0.000 0.984 357 D CA 1.523 55.554 54.000 0.052 0.000 0.834 357 D CB 0.075 40.896 40.800 0.035 0.000 0.955 357 D HN 0.481 nan 8.370 nan 0.000 0.465 358 N N 0.618 119.365 118.700 0.078 0.000 2.106 358 N HA -0.090 3.305 4.740 -2.241 0.000 0.188 358 N C 1.765 177.356 175.510 0.135 0.000 1.029 358 N CA 1.293 54.406 53.050 0.106 0.000 0.848 358 N CB -0.420 38.111 38.487 0.073 0.000 1.007 358 N HN 0.110 nan 8.380 nan 0.000 0.423 359 A N 1.102 123.978 122.820 0.092 0.000 1.940 359 A HA -0.174 2.801 4.320 -2.241 0.000 0.219 359 A C 2.153 179.776 177.584 0.064 0.000 1.176 359 A CA 1.526 53.608 52.037 0.075 0.000 0.631 359 A CB -0.553 18.477 19.000 0.050 0.000 0.814 359 A HN 0.361 nan 8.150 nan 0.000 0.446 360 E N -1.830 118.409 120.200 0.065 0.000 2.051 360 E HA -0.201 2.804 4.350 -2.241 0.000 0.192 360 E C 1.882 178.526 176.600 0.073 0.000 0.991 360 E CA 1.404 57.833 56.400 0.048 0.000 0.799 360 E CB -0.288 29.441 29.700 0.048 0.000 0.748 360 E HN 0.749 nan 8.360 nan 0.000 0.449 361 Y N 1.242 121.552 120.300 0.018 0.000 2.145 361 Y HA -0.231 2.974 4.550 -2.241 0.000 0.286 361 Y C 2.135 178.060 175.900 0.040 0.000 1.145 361 Y CA 1.586 59.703 58.100 0.029 0.000 1.148 361 Y CB -0.334 38.147 38.460 0.035 0.000 0.981 361 Y HN 0.055 nan 8.280 nan 0.000 0.507 362 L N -0.005 121.284 121.223 0.110 0.000 2.012 362 L HA -0.265 2.730 4.340 -2.241 0.000 0.210 362 L C 2.135 178.987 176.870 -0.030 0.000 1.073 362 L CA 2.480 57.349 54.840 0.048 0.000 0.748 362 L CB -0.710 41.408 42.059 0.099 0.000 0.891 362 L HN 0.279 nan 8.230 nan 0.000 0.431 363 D N -0.531 119.858 120.400 -0.018 0.000 2.172 363 D HA -0.255 3.040 4.640 -2.241 0.000 0.196 363 D C 1.928 178.190 176.300 -0.063 0.000 0.999 363 D CA 1.820 55.801 54.000 -0.031 0.000 0.856 363 D CB 0.139 40.918 40.800 -0.034 0.000 0.934 363 D HN 0.389 nan 8.370 nan 0.000 0.453 364 K N -0.792 119.535 120.400 -0.122 0.000 2.334 364 K HA 0.208 3.183 4.320 -2.241 0.000 0.195 364 K C 0.731 177.221 176.600 -0.183 0.000 1.045 364 K CA 0.361 56.564 56.287 -0.140 0.000 1.004 364 K CB 0.454 32.867 32.500 -0.145 0.000 0.837 364 K HN 0.063 nan 8.250 nan 0.000 0.510 365 N N 0.469 119.000 118.700 -0.283 0.000 2.197 365 N HA 0.111 3.507 4.740 -2.241 0.000 0.228 365 N C -0.095 175.381 175.510 -0.058 0.000 1.212 365 N CA 0.056 52.961 53.050 -0.241 0.000 0.883 365 N CB 1.662 39.825 38.487 -0.540 0.000 1.107 365 N HN 0.123 nan 8.380 nan 0.000 0.519 366 G N 0.806 109.607 108.800 0.002 0.000 2.511 366 G HA2 0.750 3.365 3.960 -2.241 0.000 0.318 366 G HA3 0.750 3.365 3.960 -2.241 0.000 0.318 366 G C -0.661 174.316 174.900 0.128 0.000 1.210 366 G CA -0.409 44.754 45.100 0.105 0.000 0.969 366 G HN 0.108 nan 8.290 nan 0.000 0.484 367 L N -1.766 119.580 121.223 0.206 0.000 2.630 367 L HA 0.891 3.886 4.340 -2.241 0.000 0.258 367 L C -1.230 175.832 176.870 0.320 0.000 1.072 367 L CA -1.226 53.750 54.840 0.227 0.000 0.885 367 L CB 2.191 44.370 42.059 0.201 0.000 1.502 367 L HN 0.596 nan 8.230 nan 0.000 0.406 368 F N 1.055 121.047 119.950 0.071 0.000 2.608 368 F HA 0.832 4.014 4.527 -2.242 0.000 0.309 368 F C -1.374 174.394 175.800 -0.053 0.000 1.103 368 F CA -0.751 57.245 58.000 -0.007 0.000 0.954 368 F CB 2.090 41.086 39.000 -0.007 0.000 1.267 368 F HN 0.574 nan 8.300 nan 0.000 0.444 369 V N 2.437 121.871 119.914 -0.800 0.000 2.823 369 V HA 0.953 3.728 4.120 -2.241 0.000 0.312 369 V C 0.105 175.491 176.094 -1.180 0.000 1.072 369 V CA -0.348 61.513 62.300 -0.731 0.000 0.937 369 V CB 1.025 32.560 31.823 -0.480 0.000 1.013 369 V HN 1.134 nan 8.190 nan 0.000 0.430 370 G N 1.716 110.036 108.800 -0.802 0.000 2.606 370 G HA2 0.407 3.023 3.960 -2.241 0.000 0.252 370 G HA3 0.407 3.023 3.960 -2.241 0.000 0.252 370 G C -0.545 173.850 174.900 -0.841 0.000 1.206 370 G CA -0.220 44.385 45.100 -0.826 0.000 0.861 370 G HN 1.054 nan 8.290 nan 0.000 0.561 371 N N -1.116 116.954 118.700 -1.050 0.000 2.240 371 N HA 0.448 3.844 4.740 -2.241 0.000 0.302 371 N C -1.013 174.002 175.510 -0.825 0.000 1.106 371 N CA -0.642 51.856 53.050 -0.921 0.000 0.778 371 N CB 1.514 39.323 38.487 -1.131 0.000 1.431 371 N HN 0.498 nan 8.380 nan 0.000 0.479 372 H N -0.006 118.894 119.070 -0.284 0.000 2.941 372 H HA 0.222 3.433 4.556 -2.242 0.000 0.344 372 H C -0.225 174.963 175.328 -0.233 0.000 1.235 372 H CA -0.379 55.501 56.048 -0.280 0.000 1.149 372 H CB 1.554 31.165 29.762 -0.251 0.000 1.885 372 H HN 0.552 nan 8.280 nan 0.000 0.558 373 Q N 1.383 121.108 119.800 -0.126 0.000 2.282 373 Q HA 0.130 3.125 4.340 -2.241 0.000 0.205 373 Q C 0.252 176.194 176.000 -0.096 0.000 0.915 373 Q CA 0.259 55.968 55.803 -0.156 0.000 0.949 373 Q CB -0.601 27.860 28.738 -0.462 0.000 1.035 373 Q HN 0.534 nan 8.270 nan 0.000 0.484 374 I N -3.001 117.507 120.570 -0.103 0.000 2.740 374 I HA 0.540 3.365 4.170 -2.241 0.000 0.303 374 I C -0.594 175.405 176.117 -0.198 0.000 1.044 374 I CA -1.210 60.015 61.300 -0.125 0.000 1.064 374 I CB 1.839 39.756 38.000 -0.139 0.000 1.249 374 I HN -0.175 nan 8.210 nan 0.000 0.433 375 E N 3.823 123.856 120.200 -0.279 0.000 2.417 375 E HA 0.147 3.153 4.350 -2.241 0.000 0.261 375 E C -0.326 175.941 176.600 -0.556 0.000 1.000 375 E CA 0.175 56.228 56.400 -0.578 0.000 0.919 375 E CB 1.054 30.387 29.700 -0.612 0.000 0.955 375 E HN 0.527 nan 8.360 nan 0.000 0.455 376 L N 4.222 125.060 121.223 -0.642 0.000 3.202 376 L HA 0.177 3.173 4.340 -2.241 0.000 0.278 376 L C 0.766 177.479 176.870 -0.262 0.000 1.268 376 L CA -0.268 54.346 54.840 -0.376 0.000 1.034 376 L CB 0.037 41.945 42.059 -0.252 0.000 1.407 376 L HN 0.639 nan 8.230 nan 0.000 0.581 377 F N 0.413 120.254 119.950 -0.181 0.000 2.126 377 F HA -0.282 2.901 4.527 -2.240 0.000 0.299 377 F C 2.190 177.972 175.800 -0.030 0.000 1.096 377 F CA 1.384 59.188 58.000 -0.326 0.000 1.255 377 F CB -0.168 38.449 39.000 -0.639 0.000 0.997 377 F HN 0.250 nan 8.300 nan 0.000 0.479 378 D N 0.240 120.709 120.400 0.114 0.000 2.104 378 D HA -0.180 3.115 4.640 -2.241 0.000 0.194 378 D C 1.923 178.324 176.300 0.168 0.000 0.994 378 D CA 1.536 55.604 54.000 0.114 0.000 0.830 378 D CB -0.014 40.796 40.800 0.017 0.000 0.959 378 D HN 0.171 nan 8.370 nan 0.000 0.452 379 E N -0.273 119.976 120.200 0.083 0.000 2.106 379 E HA -0.069 2.936 4.350 -2.241 0.000 0.192 379 E C 2.162 178.982 176.600 0.367 0.000 0.984 379 E CA 0.564 57.038 56.400 0.123 0.000 0.806 379 E CB -0.069 29.391 29.700 -0.400 0.000 0.750 379 E HN 0.447 nan 8.360 nan 0.000 0.458 380 I N 0.977 121.770 120.570 0.372 0.000 2.252 380 I HA -0.231 2.594 4.170 -2.241 0.000 0.245 380 I C 1.429 177.843 176.117 0.494 0.000 1.102 380 I CA 1.034 62.659 61.300 0.541 0.000 1.385 380 I CB -0.235 38.145 38.000 0.634 0.000 1.064 380 I HN 0.034 nan 8.210 nan 0.000 0.414 381 D N 0.193 120.859 120.400 0.442 0.000 2.149 381 D HA -0.235 3.060 4.640 -2.241 0.000 0.198 381 D C 1.889 178.363 176.300 0.291 0.000 0.990 381 D CA 1.338 55.522 54.000 0.306 0.000 0.839 381 D CB -0.253 40.721 40.800 0.289 0.000 0.948 381 D HN 0.345 nan 8.370 nan 0.000 0.460 382 Y N 0.914 121.334 120.300 0.200 0.000 2.243 382 Y HA -0.044 3.161 4.550 -2.241 0.000 0.293 382 Y C 2.014 178.048 175.900 0.223 0.000 1.124 382 Y CA 0.597 58.805 58.100 0.179 0.000 1.159 382 Y CB -0.607 37.961 38.460 0.180 0.000 1.008 382 Y HN -0.061 nan 8.280 nan 0.000 0.527 383 L N 0.912 122.300 121.223 0.275 0.000 2.042 383 L HA -0.176 2.819 4.340 -2.241 0.000 0.210 383 L C 2.355 179.381 176.870 0.260 0.000 1.076 383 L CA 2.089 57.069 54.840 0.233 0.000 0.749 383 L CB -0.791 41.580 42.059 0.519 0.000 0.893 383 L HN 0.134 nan 8.230 nan 0.000 0.432 384 R N -0.462 120.205 120.500 0.277 0.000 2.189 384 R HA -0.105 2.890 4.340 -2.241 0.000 0.218 384 R C 2.081 178.348 176.300 -0.055 0.000 1.074 384 R CA 1.095 57.178 56.100 -0.029 0.000 0.991 384 R CB -0.388 29.699 30.300 -0.354 0.000 0.883 384 R HN 0.420 nan 8.270 nan 0.000 0.457 385 E N -0.586 119.613 120.200 -0.000 0.000 2.076 385 E HA -0.017 2.988 4.350 -2.241 0.000 0.190 385 E C 1.808 178.389 176.600 -0.031 0.000 0.979 385 E CA 1.209 57.609 56.400 -0.000 0.000 0.807 385 E CB -0.126 29.619 29.700 0.075 0.000 0.761 385 E HN 0.128 nan 8.360 nan 0.000 0.454 386 V N 0.692 120.538 119.914 -0.113 0.000 2.427 386 V HA -0.133 2.643 4.120 -2.241 0.000 0.248 386 V C 1.772 177.865 176.094 -0.002 0.000 1.051 386 V CA 1.076 63.310 62.300 -0.111 0.000 1.048 386 V CB -0.365 31.307 31.823 -0.252 0.000 0.666 386 V HN 0.209 nan 8.190 nan 0.000 0.456 387 L N 2.062 123.309 121.223 0.040 0.000 2.998 387 L HA 0.210 3.205 4.340 -2.241 0.000 0.234 387 L C 0.697 177.696 176.870 0.215 0.000 1.350 387 L CA -0.023 54.879 54.840 0.104 0.000 1.202 387 L CB -0.644 41.409 42.059 -0.010 0.000 1.583 387 L HN 0.484 nan 8.230 nan 0.000 0.456 388 K N 0.000 120.498 120.400 0.163 0.000 2.780 388 K HA 0.000 2.975 4.320 -2.241 0.000 0.191 388 K CA 0.000 56.359 56.287 0.119 0.000 0.838 388 K CB 0.000 32.507 32.500 0.011 0.000 1.064 388 K HN 0.000 nan 8.250 nan 0.000 0.543