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 1jpn_1_B DATA FIRST_RESID 1 DATA SEQUENCE MFQQLSARLQ EAIGRLRGRG RITEEDLKAT LREIRRALMD ADVNLEVARD DATA SEQUENCE FVERVREEAL GKQVLESLTP AEVILATVYE ALKEALGGEA RLPVLKDRNL DATA SEQUENCE WFLVGLQGSG KTTTAAKLAL YYKGKGRRPL LVAADTQRPA AREQLRLLGE DATA SEQUENCE KVGVPVLEVM DGESPESIRR RVEEKARLEA RDLILVDTAG RLQIDEPLMG DATA SEQUENCE ELARLKEVLG PDEVLLVLDA MTGQEALSVA RAFDEKVGVT GLVLTKLDGD DATA SEQUENCE ARGGAALSAR HVTGKPIYFA GVSEKPEGLE PFYPERLAGR ILGMG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.360 176.300 0.101 0.000 1.140 1 M CA 0.000 55.257 55.300 -0.072 0.000 0.988 1 M CB 0.000 32.481 32.600 -0.198 0.000 1.302 2 F N -1.058 118.900 119.950 0.013 0.000 2.666 2 F HA -0.390 4.137 4.527 0.000 0.000 0.458 2 F C 1.099 176.903 175.800 0.007 0.000 0.561 2 F CA 1.565 59.571 58.000 0.010 0.000 1.129 2 F CB -1.447 37.565 39.000 0.020 0.000 1.751 2 F HN 0.744 nan 8.300 nan 0.000 0.275 3 Q N 0.337 120.225 119.800 0.147 0.000 2.061 3 Q HA -0.265 4.075 4.340 0.001 0.000 0.204 3 Q C 2.160 178.197 176.000 0.061 0.000 0.984 3 Q CA 2.325 58.184 55.803 0.092 0.000 0.846 3 Q CB -0.342 28.431 28.738 0.059 0.000 0.902 3 Q HN 0.706 nan 8.270 nan 0.000 0.421 4 Q N -0.138 119.682 119.800 0.033 0.000 2.020 4 Q HA -0.185 4.156 4.340 0.001 0.000 0.202 4 Q C 2.021 178.035 176.000 0.024 0.000 0.982 4 Q CA 1.338 57.151 55.803 0.016 0.000 0.838 4 Q CB -0.167 28.565 28.738 -0.010 0.000 0.899 4 Q HN 0.379 nan 8.270 nan 0.000 0.423 5 L N 0.157 121.400 121.223 0.035 0.000 2.046 5 L HA -0.155 4.186 4.340 0.001 0.000 0.208 5 L C 2.346 179.250 176.870 0.057 0.000 1.077 5 L CA 2.210 57.073 54.840 0.039 0.000 0.747 5 L CB -0.861 41.235 42.059 0.062 0.000 0.896 5 L HN 0.175 nan 8.230 nan 0.000 0.432 6 S N -0.662 115.091 115.700 0.088 0.000 2.359 6 S HA -0.225 4.246 4.470 0.001 0.000 0.224 6 S C 2.160 176.790 174.600 0.050 0.000 1.035 6 S CA 1.444 59.689 58.200 0.075 0.000 1.018 6 S CB -0.549 62.703 63.200 0.087 0.000 0.876 6 S HN 0.682 nan 8.310 nan 0.000 0.448 7 A N 1.974 124.819 122.820 0.043 0.000 1.933 7 A HA -0.041 4.279 4.320 0.001 0.000 0.218 7 A C 2.284 179.883 177.584 0.025 0.000 1.175 7 A CA 1.118 53.173 52.037 0.031 0.000 0.628 7 A CB -0.535 18.480 19.000 0.025 0.000 0.814 7 A HN 0.529 nan 8.150 nan 0.000 0.444 8 R N -0.479 120.034 120.500 0.022 0.000 2.075 8 R HA -0.007 4.334 4.340 0.001 0.000 0.232 8 R C 2.059 178.371 176.300 0.020 0.000 1.126 8 R CA 1.183 57.292 56.100 0.016 0.000 0.963 8 R CB -0.683 29.621 30.300 0.006 0.000 0.858 8 R HN 0.548 nan 8.270 nan 0.000 0.435 9 L N 0.741 121.980 121.223 0.027 0.000 2.044 9 L HA -0.158 4.183 4.340 0.001 0.000 0.205 9 L C 2.592 179.488 176.870 0.042 0.000 1.075 9 L CA 1.298 56.161 54.840 0.037 0.000 0.747 9 L CB -0.481 41.606 42.059 0.047 0.000 0.903 9 L HN 0.204 nan 8.230 nan 0.000 0.435 10 Q N -0.230 119.594 119.800 0.039 0.000 2.124 10 Q HA -0.276 4.065 4.340 0.001 0.000 0.202 10 Q C 2.049 178.065 176.000 0.027 0.000 0.977 10 Q CA 1.774 57.598 55.803 0.034 0.000 0.850 10 Q CB -0.049 28.707 28.738 0.031 0.000 0.901 10 Q HN 0.394 nan 8.270 nan 0.000 0.429 11 E N 0.726 120.940 120.200 0.024 0.000 2.072 11 E HA -0.129 4.222 4.350 0.001 0.000 0.190 11 E C 1.806 178.419 176.600 0.021 0.000 0.982 11 E CA 1.203 57.615 56.400 0.020 0.000 0.803 11 E CB -0.153 29.557 29.700 0.017 0.000 0.755 11 E HN 0.317 nan 8.360 nan 0.000 0.453 12 A N 0.449 123.284 122.820 0.025 0.000 1.933 12 A HA -0.119 4.201 4.320 0.001 0.000 0.218 12 A C 2.242 179.844 177.584 0.030 0.000 1.175 12 A CA 1.528 53.581 52.037 0.027 0.000 0.628 12 A CB -0.572 18.447 19.000 0.032 0.000 0.814 12 A HN 0.371 nan 8.150 nan 0.000 0.444 13 I N -0.923 119.668 120.570 0.034 0.000 2.339 13 I HA -0.056 4.115 4.170 0.001 0.000 0.245 13 I C 2.719 178.850 176.117 0.023 0.000 1.096 13 I CA 0.887 62.207 61.300 0.033 0.000 1.408 13 I CB -0.741 37.284 38.000 0.041 0.000 1.092 13 I HN 0.356 nan 8.210 nan 0.000 0.423 14 G N 2.090 110.902 108.800 0.020 0.000 2.450 14 G HA2 -0.269 3.691 3.960 0.001 0.000 0.220 14 G HA3 -0.269 3.691 3.960 0.001 0.000 0.220 14 G C 1.687 176.594 174.900 0.012 0.000 1.130 14 G CA 0.809 45.917 45.100 0.014 0.000 0.760 14 G HN 0.474 nan 8.290 nan 0.000 0.557 15 R N 0.205 120.713 120.500 0.014 0.000 2.293 15 R HA 0.155 4.496 4.340 0.001 0.000 0.219 15 R C 1.703 178.009 176.300 0.011 0.000 1.091 15 R CA 0.827 56.934 56.100 0.012 0.000 1.004 15 R CB -0.431 29.877 30.300 0.012 0.000 0.865 15 R HN 0.400 nan 8.270 nan 0.000 0.469 16 L N 0.107 121.337 121.223 0.012 0.000 2.529 16 L HA 0.220 4.560 4.340 0.001 0.000 0.223 16 L C 1.080 177.955 176.870 0.008 0.000 1.113 16 L CA -0.192 54.655 54.840 0.011 0.000 0.861 16 L CB -0.075 41.992 42.059 0.014 0.000 1.012 16 L HN 0.059 nan 8.230 nan 0.000 0.461 17 R N 0.660 121.164 120.500 0.007 0.000 2.594 17 R HA 0.231 4.571 4.340 0.001 0.000 0.272 17 R C 0.920 177.222 176.300 0.003 0.000 1.074 17 R CA 0.722 56.825 56.100 0.004 0.000 1.105 17 R CB 0.488 30.790 30.300 0.003 0.000 1.008 17 R HN 0.235 nan 8.270 nan 0.000 0.472 18 G N 2.469 111.270 108.800 0.002 0.000 2.305 18 G HA2 -0.323 3.637 3.960 0.001 0.000 0.287 18 G HA3 -0.323 3.637 3.960 0.001 0.000 0.287 18 G C 0.383 175.284 174.900 0.002 0.000 1.036 18 G CA 0.556 45.657 45.100 0.001 0.000 0.887 18 G HN 0.690 nan 8.290 nan 0.000 0.505 19 R N -0.787 119.714 120.500 0.003 0.000 2.566 19 R HA 0.446 4.786 4.340 0.001 0.000 0.388 19 R C 1.575 177.877 176.300 0.003 0.000 0.989 19 R CA 0.330 56.432 56.100 0.003 0.000 1.164 19 R CB 0.598 30.900 30.300 0.005 0.000 1.459 19 R HN 1.391 nan 8.270 nan 0.000 0.553 20 G N 1.965 110.766 108.800 0.002 0.000 2.569 20 G HA2 -0.349 3.611 3.960 0.001 0.000 0.259 20 G HA3 -0.349 3.611 3.960 0.001 0.000 0.259 20 G C -0.493 174.408 174.900 0.003 0.000 1.263 20 G CA -0.425 44.676 45.100 0.002 0.000 0.928 20 G HN 0.295 nan 8.290 nan 0.000 0.572 21 R N 0.009 120.510 120.500 0.003 0.000 2.643 21 R HA 0.444 4.785 4.340 0.001 0.000 0.270 21 R C 0.803 177.105 176.300 0.005 0.000 1.061 21 R CA 0.576 56.678 56.100 0.003 0.000 1.107 21 R CB 0.177 30.479 30.300 0.003 0.000 0.999 21 R HN 0.668 nan 8.270 nan 0.000 0.460 22 I N -1.950 118.624 120.570 0.006 0.000 2.607 22 I HA 0.463 4.633 4.170 0.001 0.000 0.305 22 I C 0.367 176.489 176.117 0.007 0.000 0.995 22 I CA -0.889 60.415 61.300 0.007 0.000 1.148 22 I CB 2.002 40.007 38.000 0.009 0.000 1.323 22 I HN 0.516 nan 8.210 nan 0.000 0.461 23 T N -0.899 113.660 114.554 0.007 0.000 2.902 23 T HA 0.250 4.600 4.350 0.001 0.000 0.280 23 T C 0.775 175.480 174.700 0.008 0.000 0.992 23 T CA -0.426 61.678 62.100 0.007 0.000 1.015 23 T CB 1.652 70.524 68.868 0.006 0.000 1.044 23 T HN 0.875 nan 8.240 nan 0.000 0.520 24 E N 0.171 120.375 120.200 0.008 0.000 2.160 24 E HA -0.242 4.108 4.350 0.001 0.000 0.195 24 E C 1.765 178.371 176.600 0.010 0.000 0.991 24 E CA 1.348 57.753 56.400 0.009 0.000 0.810 24 E CB 0.013 29.717 29.700 0.008 0.000 0.742 24 E HN 0.866 nan 8.360 nan 0.000 0.466 25 E N -0.017 120.189 120.200 0.009 0.000 2.106 25 E HA -0.180 4.170 4.350 0.001 0.000 0.192 25 E C 1.543 178.150 176.600 0.011 0.000 0.984 25 E CA 1.163 57.569 56.400 0.010 0.000 0.806 25 E CB 0.120 29.825 29.700 0.008 0.000 0.750 25 E HN 0.211 nan 8.360 nan 0.000 0.458 26 D N 0.256 120.663 120.400 0.011 0.000 2.144 26 D HA -0.139 4.501 4.640 0.001 0.000 0.200 26 D C 1.878 178.188 176.300 0.016 0.000 0.978 26 D CA 0.447 54.455 54.000 0.013 0.000 0.833 26 D CB -0.086 40.721 40.800 0.011 0.000 0.961 26 D HN 0.140 nan 8.370 nan 0.000 0.470 27 L N 1.102 122.335 121.223 0.016 0.000 2.027 27 L HA -0.105 4.236 4.340 0.001 0.000 0.206 27 L C 1.898 178.781 176.870 0.023 0.000 1.074 27 L CA 1.742 56.593 54.840 0.019 0.000 0.745 27 L CB -0.253 41.816 42.059 0.017 0.000 0.898 27 L HN -0.154 nan 8.230 nan 0.000 0.433 28 K N -0.504 119.907 120.400 0.019 0.000 2.026 28 K HA -0.137 4.183 4.320 0.001 0.000 0.208 28 K C 2.070 178.683 176.600 0.022 0.000 1.048 28 K CA 1.398 57.698 56.287 0.020 0.000 0.929 28 K CB -0.424 32.085 32.500 0.016 0.000 0.713 28 K HN 0.486 nan 8.250 nan 0.000 0.439 29 A N 0.955 123.787 122.820 0.019 0.000 1.902 29 A HA -0.158 4.162 4.320 0.001 0.000 0.217 29 A C 2.264 179.861 177.584 0.022 0.000 1.181 29 A CA 2.042 54.090 52.037 0.018 0.000 0.623 29 A CB -0.908 18.101 19.000 0.015 0.000 0.818 29 A HN 0.250 nan 8.150 nan 0.000 0.443 30 T N 0.362 114.931 114.554 0.025 0.000 2.737 30 T HA -0.063 4.288 4.350 0.001 0.000 0.265 30 T C 1.801 176.527 174.700 0.042 0.000 1.038 30 T CA 1.435 63.554 62.100 0.032 0.000 1.144 30 T CB -0.365 68.523 68.868 0.033 0.000 0.866 30 T HN 0.365 nan 8.240 nan 0.000 0.434 31 L N 0.284 121.534 121.223 0.045 0.000 2.131 31 L HA -0.071 4.269 4.340 0.001 0.000 0.210 31 L C 2.890 179.792 176.870 0.053 0.000 1.092 31 L CA 1.286 56.162 54.840 0.060 0.000 0.759 31 L CB -0.415 41.676 42.059 0.054 0.000 0.903 31 L HN 0.165 nan 8.230 nan 0.000 0.435 32 R N -0.199 120.323 120.500 0.036 0.000 2.075 32 R HA -0.196 4.144 4.340 0.001 0.000 0.232 32 R C 2.247 178.559 176.300 0.020 0.000 1.126 32 R CA 1.461 57.577 56.100 0.026 0.000 0.963 32 R CB -0.178 30.133 30.300 0.019 0.000 0.858 32 R HN 0.218 nan 8.270 nan 0.000 0.435 33 E N 1.301 121.513 120.200 0.021 0.000 2.077 33 E HA -0.153 4.198 4.350 0.001 0.000 0.193 33 E C 1.713 178.320 176.600 0.011 0.000 0.989 33 E CA 1.304 57.712 56.400 0.014 0.000 0.800 33 E CB -0.219 29.491 29.700 0.017 0.000 0.746 33 E HN 0.287 nan 8.360 nan 0.000 0.452 34 I N 0.179 120.764 120.570 0.027 0.000 2.226 34 I HA -0.252 3.918 4.170 0.001 0.000 0.245 34 I C 2.796 178.902 176.117 -0.018 0.000 1.100 34 I CA 1.439 62.752 61.300 0.022 0.000 1.374 34 I CB -0.305 37.748 38.000 0.089 0.000 1.057 34 I HN 0.128 nan 8.210 nan 0.000 0.413 35 R N 0.957 121.462 120.500 0.009 0.000 2.081 35 R HA -0.153 4.187 4.340 0.001 0.000 0.235 35 R C 2.464 178.744 176.300 -0.033 0.000 1.131 35 R CA 1.409 57.503 56.100 -0.010 0.000 0.960 35 R CB -0.101 30.211 30.300 0.020 0.000 0.856 35 R HN 0.245 nan 8.270 nan 0.000 0.436 36 R N -0.295 120.194 120.500 -0.019 0.000 2.092 36 R HA -0.064 4.277 4.340 0.001 0.000 0.231 36 R C 2.295 178.574 176.300 -0.035 0.000 1.119 36 R CA 1.272 57.359 56.100 -0.022 0.000 0.970 36 R CB -0.248 30.046 30.300 -0.011 0.000 0.864 36 R HN 0.275 nan 8.270 nan 0.000 0.440 37 A N 1.122 123.919 122.820 -0.038 0.000 1.902 37 A HA -0.129 4.192 4.320 0.001 0.000 0.217 37 A C 2.147 179.688 177.584 -0.071 0.000 1.181 37 A CA 1.117 53.127 52.037 -0.045 0.000 0.623 37 A CB -0.476 18.502 19.000 -0.037 0.000 0.818 37 A HN 0.172 nan 8.150 nan 0.000 0.443 38 L N -1.182 119.974 121.223 -0.111 0.000 2.056 38 L HA -0.202 4.138 4.340 0.001 0.000 0.207 38 L C 2.825 179.634 176.870 -0.102 0.000 1.078 38 L CA 1.063 55.814 54.840 -0.149 0.000 0.749 38 L CB -0.506 41.407 42.059 -0.244 0.000 0.901 38 L HN 0.303 nan 8.230 nan 0.000 0.433 39 M N -0.489 119.064 119.600 -0.079 0.000 2.080 39 M HA -0.214 4.267 4.480 0.001 0.000 0.260 39 M C 1.747 178.015 176.300 -0.053 0.000 1.068 39 M CA 1.663 56.927 55.300 -0.059 0.000 1.109 39 M CB -1.177 31.397 32.600 -0.043 0.000 1.342 39 M HN 0.163 nan 8.290 nan 0.000 0.405 40 D N 0.161 120.532 120.400 -0.048 0.000 2.350 40 D HA 0.021 4.662 4.640 0.001 0.000 0.216 40 D C 1.301 177.569 176.300 -0.052 0.000 0.968 40 D CA 0.772 54.746 54.000 -0.043 0.000 0.894 40 D CB -0.005 40.775 40.800 -0.034 0.000 0.909 40 D HN 0.324 nan 8.370 nan 0.000 0.520 41 A N 0.275 123.057 122.820 -0.063 0.000 2.415 41 A HA 0.108 4.429 4.320 0.001 0.000 0.248 41 A C 0.441 177.974 177.584 -0.085 0.000 1.299 41 A CA 0.033 52.023 52.037 -0.077 0.000 0.899 41 A CB 0.100 19.056 19.000 -0.073 0.000 0.997 41 A HN -0.024 nan 8.150 nan 0.000 0.506 42 D N -1.230 119.127 120.400 -0.071 0.000 2.870 42 D HA -0.132 4.509 4.640 0.001 0.000 0.228 42 D C -0.405 175.856 176.300 -0.066 0.000 1.147 42 D CA 0.879 54.840 54.000 -0.065 0.000 0.757 42 D CB -1.798 38.961 40.800 -0.068 0.000 1.091 42 D HN 0.205 nan 8.370 nan 0.000 0.429 43 V N 1.394 121.265 119.914 -0.072 0.000 2.546 43 V HA 0.144 4.265 4.120 0.001 0.000 0.284 43 V C 1.271 177.319 176.094 -0.075 0.000 1.050 43 V CA -0.675 61.579 62.300 -0.076 0.000 0.981 43 V CB 1.531 33.291 31.823 -0.104 0.000 0.990 43 V HN 0.354 nan 8.190 nan 0.000 0.474 44 N N 2.735 121.389 118.700 -0.077 0.000 2.293 44 N HA -0.080 4.661 4.740 0.001 0.000 0.253 44 N C 0.944 176.398 175.510 -0.094 0.000 1.248 44 N CA -0.419 52.582 53.050 -0.081 0.000 0.845 44 N CB 0.689 39.118 38.487 -0.098 0.000 1.073 44 N HN 0.636 nan 8.380 nan 0.000 0.464 45 L N 4.602 125.785 121.223 -0.066 0.000 2.013 45 L HA -0.177 4.164 4.340 0.001 0.000 0.212 45 L C 2.272 179.105 176.870 -0.063 0.000 1.073 45 L CA 1.924 56.732 54.840 -0.053 0.000 0.753 45 L CB -0.936 41.104 42.059 -0.031 0.000 0.890 45 L HN 0.759 nan 8.230 nan 0.000 0.432 46 E N -1.237 118.915 120.200 -0.080 0.000 2.110 46 E HA -0.176 4.175 4.350 0.001 0.000 0.193 46 E C 2.073 178.560 176.600 -0.188 0.000 0.988 46 E CA 1.418 57.769 56.400 -0.082 0.000 0.804 46 E CB 0.044 29.727 29.700 -0.028 0.000 0.745 46 E HN 0.423 nan 8.360 nan 0.000 0.458 47 V N 1.069 120.773 119.914 -0.351 0.000 2.358 47 V HA -0.252 3.869 4.120 0.001 0.000 0.246 47 V C 2.422 178.471 176.094 -0.076 0.000 1.047 47 V CA 1.754 63.830 62.300 -0.372 0.000 1.035 47 V CB -0.743 30.879 31.823 -0.335 0.000 0.658 47 V HN 0.405 nan 8.190 nan 0.000 0.452 48 A N 0.010 122.787 122.820 -0.072 0.000 1.902 48 A HA -0.240 4.081 4.320 0.001 0.000 0.217 48 A C 2.383 180.000 177.584 0.055 0.000 1.181 48 A CA 1.962 53.981 52.037 -0.030 0.000 0.623 48 A CB -0.486 18.475 19.000 -0.065 0.000 0.818 48 A HN 0.512 nan 8.150 nan 0.000 0.443 49 R N -0.519 119.999 120.500 0.029 0.000 2.066 49 R HA -0.101 4.239 4.340 0.001 0.000 0.232 49 R C 1.633 177.983 176.300 0.083 0.000 1.131 49 R CA 1.451 57.581 56.100 0.050 0.000 0.955 49 R CB -0.368 29.948 30.300 0.027 0.000 0.851 49 R HN 0.440 nan 8.270 nan 0.000 0.432 50 D N 0.046 120.496 120.400 0.083 0.000 2.178 50 D HA -0.158 4.482 4.640 0.001 0.000 0.202 50 D C 1.500 177.875 176.300 0.124 0.000 0.974 50 D CA 0.892 54.954 54.000 0.104 0.000 0.841 50 D CB -0.173 40.713 40.800 0.143 0.000 0.953 50 D HN 0.066 nan 8.370 nan 0.000 0.478 51 F N 1.144 121.097 119.950 0.005 0.000 2.075 51 F HA -0.193 4.335 4.527 0.001 0.000 0.297 51 F C 2.289 178.096 175.800 0.013 0.000 1.113 51 F CA 1.075 59.081 58.000 0.010 0.000 1.218 51 F CB -0.508 38.492 39.000 0.000 0.000 0.984 51 F HN -0.166 nan 8.300 nan 0.000 0.472 52 V N 0.184 120.307 119.914 0.348 0.000 2.626 52 V HA -0.232 3.889 4.120 0.001 0.000 0.252 52 V C 2.217 178.357 176.094 0.078 0.000 1.067 52 V CA 2.293 64.723 62.300 0.217 0.000 1.081 52 V CB -0.403 31.522 31.823 0.171 0.000 0.686 52 V HN 0.498 nan 8.190 nan 0.000 0.468 53 E N 0.602 120.836 120.200 0.057 0.000 2.107 53 E HA -0.188 4.163 4.350 0.001 0.000 0.191 53 E C 2.372 178.965 176.600 -0.012 0.000 0.982 53 E CA 1.508 57.922 56.400 0.024 0.000 0.809 53 E CB -0.488 29.231 29.700 0.031 0.000 0.756 53 E HN 0.556 nan 8.360 nan 0.000 0.459 54 R N -0.063 120.407 120.500 -0.049 0.000 2.075 54 R HA -0.056 4.285 4.340 0.001 0.000 0.232 54 R C 2.095 178.326 176.300 -0.115 0.000 1.126 54 R CA 1.455 57.498 56.100 -0.095 0.000 0.963 54 R CB -0.263 29.943 30.300 -0.157 0.000 0.858 54 R HN 0.190 nan 8.270 nan 0.000 0.435 55 V N 1.329 121.151 119.914 -0.154 0.000 2.407 55 V HA -0.231 3.889 4.120 0.001 0.000 0.248 55 V C 2.634 178.705 176.094 -0.039 0.000 1.055 55 V CA 1.983 64.215 62.300 -0.113 0.000 1.049 55 V CB -0.674 31.099 31.823 -0.084 0.000 0.662 55 V HN 0.397 nan 8.190 nan 0.000 0.455 56 R N 0.087 120.577 120.500 -0.017 0.000 2.070 56 R HA -0.207 4.134 4.340 0.001 0.000 0.233 56 R C 2.337 178.632 176.300 -0.008 0.000 1.137 56 R CA 2.124 58.224 56.100 -0.000 0.000 0.945 56 R CB -0.209 30.097 30.300 0.011 0.000 0.845 56 R HN 0.620 nan 8.270 nan 0.000 0.430 57 E N -0.118 120.073 120.200 -0.015 0.000 2.038 57 E HA -0.197 4.153 4.350 0.001 0.000 0.195 57 E C 2.008 178.598 176.600 -0.017 0.000 1.000 57 E CA 1.374 57.766 56.400 -0.014 0.000 0.803 57 E CB 0.010 29.699 29.700 -0.018 0.000 0.750 57 E HN 0.328 nan 8.360 nan 0.000 0.448 58 E N 0.343 120.526 120.200 -0.028 0.000 2.150 58 E HA -0.144 4.207 4.350 0.001 0.000 0.193 58 E C 1.967 178.558 176.600 -0.014 0.000 0.985 58 E CA 0.966 57.352 56.400 -0.024 0.000 0.814 58 E CB -0.278 29.399 29.700 -0.038 0.000 0.752 58 E HN 0.259 nan 8.360 nan 0.000 0.466 59 A N 1.120 123.933 122.820 -0.012 0.000 1.898 59 A HA -0.103 4.217 4.320 0.001 0.000 0.216 59 A C 2.359 179.943 177.584 -0.001 0.000 1.181 59 A CA 1.015 53.051 52.037 -0.002 0.000 0.620 59 A CB -0.651 18.351 19.000 0.003 0.000 0.819 59 A HN 0.190 nan 8.150 nan 0.000 0.442 60 L N -0.747 120.476 121.223 -0.001 0.000 2.217 60 L HA -0.046 4.294 4.340 0.001 0.000 0.211 60 L C 2.624 179.493 176.870 -0.001 0.000 1.107 60 L CA 0.762 55.602 54.840 0.000 0.000 0.783 60 L CB -0.529 41.530 42.059 0.001 0.000 0.919 60 L HN 0.489 nan 8.230 nan 0.000 0.442 61 G N -0.219 108.579 108.800 -0.004 0.000 2.559 61 G HA2 -0.165 3.796 3.960 0.001 0.000 0.216 61 G HA3 -0.165 3.796 3.960 0.001 0.000 0.216 61 G C 1.360 176.258 174.900 -0.003 0.000 1.126 61 G CA 0.239 45.337 45.100 -0.004 0.000 0.778 61 G HN 0.310 nan 8.290 nan 0.000 0.543 62 K N -0.142 120.257 120.400 -0.002 0.000 2.514 62 K HA 0.193 4.514 4.320 0.001 0.000 0.207 62 K C 0.211 176.811 176.600 -0.001 0.000 1.035 62 K CA -0.249 56.038 56.287 -0.001 0.000 1.113 62 K CB 0.574 33.074 32.500 -0.001 0.000 0.846 62 K HN 0.132 nan 8.250 nan 0.000 0.491 63 Q N -0.106 119.694 119.800 -0.000 0.000 2.439 63 Q HA -0.185 4.155 4.340 0.001 0.000 0.325 63 Q C 0.832 176.833 176.000 0.002 0.000 1.372 63 Q CA 0.501 56.304 55.803 0.001 0.000 0.909 63 Q CB -2.118 26.620 28.738 0.000 0.000 1.167 63 Q HN 0.259 nan 8.270 nan 0.000 0.418 64 V N -0.354 119.562 119.914 0.003 0.000 2.490 64 V HA -0.215 3.906 4.120 0.001 0.000 0.250 64 V C 1.422 177.519 176.094 0.005 0.000 1.061 64 V CA 2.227 64.529 62.300 0.004 0.000 1.064 64 V CB -0.053 31.774 31.823 0.007 0.000 0.670 64 V HN 0.696 nan 8.190 nan 0.000 0.461 65 L N -0.539 120.687 121.223 0.004 0.000 2.465 65 L HA 0.004 4.344 4.340 0.001 0.000 0.224 65 L C 2.340 179.212 176.870 0.003 0.000 1.145 65 L CA 1.169 56.012 54.840 0.005 0.000 0.834 65 L CB -0.305 41.757 42.059 0.005 0.000 0.944 65 L HN 0.447 nan 8.230 nan 0.000 0.451 66 E N -1.044 119.157 120.200 0.002 0.000 2.372 66 E HA 0.015 4.366 4.350 0.001 0.000 0.201 66 E C 0.949 177.550 176.600 0.001 0.000 0.938 66 E CA -0.105 56.296 56.400 0.002 0.000 0.944 66 E CB 0.600 30.301 29.700 0.001 0.000 0.937 66 E HN 0.168 nan 8.360 nan 0.000 0.495 67 S N 0.701 116.402 115.700 0.001 0.000 2.558 67 S HA 0.021 4.491 4.470 0.001 0.000 0.288 67 S C 1.008 175.609 174.600 0.001 0.000 1.318 67 S CA -0.195 58.005 58.200 0.000 0.000 1.056 67 S CB 0.511 63.711 63.200 0.000 0.000 0.853 67 S HN 0.186 nan 8.310 nan 0.000 0.505 68 L N 3.233 124.455 121.223 -0.001 0.000 2.558 68 L HA 0.140 4.481 4.340 0.001 0.000 0.225 68 L C 1.005 177.875 176.870 -0.001 0.000 1.128 68 L CA 0.482 55.321 54.840 -0.001 0.000 0.868 68 L CB -0.115 41.943 42.059 -0.001 0.000 1.006 68 L HN 0.874 nan 8.230 nan 0.000 0.454 69 T N -4.365 110.188 114.554 -0.001 0.000 3.504 69 T HA 0.260 4.611 4.350 0.001 0.000 0.286 69 T C -1.911 172.789 174.700 0.000 0.000 1.530 69 T CA -1.392 60.707 62.100 -0.002 0.000 1.652 69 T CB 0.642 69.507 68.868 -0.005 0.000 0.895 69 T HN -0.139 nan 8.240 nan 0.000 0.674 70 P HA -0.071 nan 4.420 nan 0.000 0.218 70 P C 1.722 179.027 177.300 0.009 0.000 1.149 70 P CA 1.014 64.118 63.100 0.006 0.000 0.817 70 P CB -0.004 31.701 31.700 0.008 0.000 0.785 71 A N 0.935 123.759 122.820 0.008 0.000 1.972 71 A HA -0.204 4.117 4.320 0.001 0.000 0.219 71 A C 2.181 179.769 177.584 0.008 0.000 1.169 71 A CA 1.521 53.564 52.037 0.010 0.000 0.635 71 A CB -1.038 17.966 19.000 0.007 0.000 0.810 71 A HN 0.256 nan 8.150 nan 0.000 0.446 72 E N -0.217 119.983 120.200 0.000 0.000 2.072 72 E HA -0.087 4.263 4.350 0.001 0.000 0.190 72 E C 1.928 178.526 176.600 -0.003 0.000 0.982 72 E CA 1.221 57.616 56.400 -0.008 0.000 0.803 72 E CB -0.346 29.345 29.700 -0.014 0.000 0.755 72 E HN 0.428 nan 8.360 nan 0.000 0.453 73 V N 1.942 121.857 119.914 0.002 0.000 2.427 73 V HA -0.211 3.909 4.120 0.001 0.000 0.248 73 V C 2.279 178.383 176.094 0.016 0.000 1.051 73 V CA 1.089 63.393 62.300 0.006 0.000 1.048 73 V CB -0.349 31.477 31.823 0.005 0.000 0.666 73 V HN 0.244 nan 8.190 nan 0.000 0.456 74 I N -0.229 120.354 120.570 0.022 0.000 2.252 74 I HA -0.173 3.998 4.170 0.001 0.000 0.245 74 I C 2.394 178.542 176.117 0.052 0.000 1.102 74 I CA 1.514 62.836 61.300 0.036 0.000 1.385 74 I CB -1.142 36.882 38.000 0.038 0.000 1.064 74 I HN 0.331 nan 8.210 nan 0.000 0.414 75 L N 1.584 122.833 121.223 0.043 0.000 2.012 75 L HA -0.141 4.200 4.340 0.001 0.000 0.210 75 L C 2.562 179.477 176.870 0.074 0.000 1.073 75 L CA 2.261 57.134 54.840 0.054 0.000 0.748 75 L CB -0.757 41.312 42.059 0.017 0.000 0.891 75 L HN 0.176 nan 8.230 nan 0.000 0.431 76 A N -1.190 121.653 122.820 0.038 0.000 1.933 76 A HA -0.199 4.122 4.320 0.001 0.000 0.218 76 A C 2.335 179.982 177.584 0.106 0.000 1.175 76 A CA 2.274 54.342 52.037 0.050 0.000 0.628 76 A CB -1.302 17.703 19.000 0.008 0.000 0.814 76 A HN 0.643 nan 8.150 nan 0.000 0.444 77 T N -2.846 111.744 114.554 0.061 0.000 2.812 77 T HA -0.049 4.302 4.350 0.001 0.000 0.264 77 T C 1.688 176.394 174.700 0.010 0.000 1.042 77 T CA 1.308 63.422 62.100 0.024 0.000 1.140 77 T CB -0.676 68.191 68.868 -0.003 0.000 0.870 77 T HN 0.049 nan 8.240 nan 0.000 0.445 78 V N 0.740 120.697 119.914 0.071 0.000 2.427 78 V HA -0.090 4.030 4.120 0.001 0.000 0.248 78 V C 2.263 178.454 176.094 0.162 0.000 1.051 78 V CA 1.573 63.949 62.300 0.126 0.000 1.048 78 V CB -0.970 30.979 31.823 0.209 0.000 0.666 78 V HN 0.553 nan 8.190 nan 0.000 0.456 79 Y N 1.175 121.499 120.300 0.040 0.000 2.128 79 Y HA -0.242 4.308 4.550 0.001 0.000 0.284 79 Y C 2.714 178.621 175.900 0.011 0.000 1.154 79 Y CA 2.295 60.414 58.100 0.032 0.000 1.149 79 Y CB -0.191 38.275 38.460 0.010 0.000 0.976 79 Y HN 0.235 nan 8.280 nan 0.000 0.505 80 E N 0.602 120.820 120.200 0.029 0.000 2.077 80 E HA -0.210 4.140 4.350 0.001 0.000 0.193 80 E C 2.256 178.765 176.600 -0.152 0.000 0.989 80 E CA 1.220 57.567 56.400 -0.087 0.000 0.800 80 E CB -0.317 29.384 29.700 0.002 0.000 0.746 80 E HN 0.576 nan 8.360 nan 0.000 0.452 81 A N 1.306 124.009 122.820 -0.196 0.000 1.902 81 A HA -0.119 4.201 4.320 0.001 0.000 0.217 81 A C 2.441 179.960 177.584 -0.108 0.000 1.181 81 A CA 1.013 52.823 52.037 -0.379 0.000 0.623 81 A CB -0.665 17.728 19.000 -1.012 0.000 0.818 81 A HN 0.304 nan 8.150 nan 0.000 0.443 82 L N -0.637 120.642 121.223 0.093 0.000 2.017 82 L HA -0.213 4.128 4.340 0.001 0.000 0.208 82 L C 2.688 179.572 176.870 0.023 0.000 1.073 82 L CA 2.043 57.019 54.840 0.226 0.000 0.745 82 L CB -0.373 41.772 42.059 0.142 0.000 0.894 82 L HN 0.532 nan 8.230 nan 0.000 0.432 83 K N -0.179 120.125 120.400 -0.160 0.000 2.032 83 K HA -0.235 4.086 4.320 0.001 0.000 0.209 83 K C 2.001 178.560 176.600 -0.069 0.000 1.048 83 K CA 1.598 57.768 56.287 -0.195 0.000 0.927 83 K CB 0.052 32.339 32.500 -0.356 0.000 0.712 83 K HN 0.166 nan 8.250 nan 0.000 0.441 84 E N 0.306 120.473 120.200 -0.055 0.000 2.072 84 E HA -0.141 4.209 4.350 0.001 0.000 0.191 84 E C 1.982 178.610 176.600 0.046 0.000 0.985 84 E CA 1.240 57.633 56.400 -0.012 0.000 0.801 84 E CB -0.362 29.319 29.700 -0.033 0.000 0.750 84 E HN 0.471 nan 8.360 nan 0.000 0.452 85 A N 0.961 123.837 122.820 0.094 0.000 1.933 85 A HA -0.111 4.209 4.320 0.001 0.000 0.218 85 A C 2.264 179.931 177.584 0.139 0.000 1.175 85 A CA 0.970 53.102 52.037 0.158 0.000 0.628 85 A CB -0.616 18.552 19.000 0.281 0.000 0.814 85 A HN 0.205 nan 8.150 nan 0.000 0.444 86 L N -1.689 119.615 121.223 0.135 0.000 2.610 86 L HA 0.139 4.479 4.340 0.001 0.000 0.232 86 L C 1.709 178.713 176.870 0.224 0.000 1.149 86 L CA 0.676 55.635 54.840 0.197 0.000 0.872 86 L CB 0.016 42.178 42.059 0.171 0.000 0.992 86 L HN 0.620 nan 8.230 nan 0.000 0.447 87 G N -2.323 106.551 108.800 0.122 0.000 2.485 87 G HA2 -0.020 3.941 3.960 0.001 0.000 0.181 87 G HA3 -0.020 3.941 3.960 0.001 0.000 0.181 87 G C 0.787 175.720 174.900 0.056 0.000 0.999 87 G CA -0.331 44.825 45.100 0.094 0.000 0.721 87 G HN 0.458 nan 8.290 nan 0.000 0.486 88 G N 0.180 109.002 108.800 0.036 0.000 4.886 88 G HA2 -0.262 3.699 3.960 0.001 0.000 0.305 88 G HA3 -0.262 3.699 3.960 0.001 0.000 0.305 88 G C 0.016 174.922 174.900 0.011 0.000 1.483 88 G CA 0.822 45.927 45.100 0.008 0.000 1.029 88 G HN 1.082 nan 8.290 nan 0.000 0.746 89 E N 1.309 121.527 120.200 0.029 0.000 2.195 89 E HA 0.597 4.948 4.350 0.001 0.000 0.271 89 E C 0.363 176.999 176.600 0.061 0.000 0.923 89 E CA -0.224 56.200 56.400 0.040 0.000 0.790 89 E CB 1.922 31.644 29.700 0.036 0.000 1.155 89 E HN 0.957 nan 8.360 nan 0.000 0.402 90 A N 3.451 126.318 122.820 0.079 0.000 2.540 90 A HA 0.106 4.427 4.320 0.001 0.000 0.239 90 A C 0.081 177.694 177.584 0.048 0.000 1.061 90 A CA 0.488 52.566 52.037 0.068 0.000 0.758 90 A CB 0.234 19.323 19.000 0.148 0.000 0.991 90 A HN 0.490 nan 8.150 nan 0.000 0.502 91 R N 1.421 121.942 120.500 0.035 0.000 2.686 91 R HA 0.710 5.050 4.340 0.001 0.000 0.283 91 R C -1.452 174.857 176.300 0.016 0.000 0.978 91 R CA -0.633 55.508 56.100 0.069 0.000 0.897 91 R CB 1.874 32.263 30.300 0.149 0.000 1.192 91 R HN 0.706 nan 8.270 nan 0.000 0.457 92 L N 2.327 123.486 121.223 -0.107 0.000 2.393 92 L HA 0.505 4.845 4.340 0.001 0.000 0.260 92 L C -2.326 174.227 176.870 -0.530 0.000 1.002 92 L CA -2.322 52.290 54.840 -0.380 0.000 0.818 92 L CB 2.810 44.757 42.059 -0.187 0.000 1.369 92 L HN 0.324 nan 8.230 nan 0.000 0.412 93 P HA 0.044 nan 4.420 nan 0.000 0.266 93 P C -0.660 176.556 177.300 -0.139 0.000 1.195 93 P CA -0.252 62.426 63.100 -0.702 0.000 0.768 93 P CB 0.486 31.573 31.700 -1.022 0.000 0.838 94 V N 4.726 124.602 119.914 -0.063 0.000 2.508 94 V HA 0.050 4.171 4.120 0.001 0.000 0.281 94 V C 0.640 176.841 176.094 0.177 0.000 1.041 94 V CA 0.080 62.418 62.300 0.062 0.000 1.016 94 V CB -0.038 31.812 31.823 0.045 0.000 0.984 94 V HN 0.364 nan 8.190 nan 0.000 0.478 95 L N 6.735 128.061 121.223 0.172 0.000 2.289 95 L HA 0.524 4.865 4.340 0.001 0.000 0.285 95 L C 0.344 177.264 176.870 0.083 0.000 1.049 95 L CA -0.246 54.684 54.840 0.151 0.000 0.804 95 L CB 1.134 43.266 42.059 0.123 0.000 1.195 95 L HN 0.628 nan 8.230 nan 0.000 0.428 96 K N 1.123 121.555 120.400 0.053 0.000 2.312 96 K HA 0.296 4.617 4.320 0.001 0.000 0.236 96 K C -0.068 176.529 176.600 -0.005 0.000 1.079 96 K CA -1.045 55.260 56.287 0.030 0.000 0.900 96 K CB 1.048 33.571 32.500 0.039 0.000 1.297 96 K HN 0.352 nan 8.250 nan 0.000 0.498 97 D N 0.881 121.278 120.400 -0.005 0.000 2.116 97 D HA -0.105 4.536 4.640 0.001 0.000 0.193 97 D C 0.056 176.332 176.300 -0.040 0.000 0.998 97 D CA 1.632 55.621 54.000 -0.018 0.000 0.836 97 D CB 0.230 41.024 40.800 -0.010 0.000 0.951 97 D HN 0.189 nan 8.370 nan 0.000 0.449 98 R N 0.148 120.625 120.500 -0.039 0.000 2.561 98 R HA 0.481 4.821 4.340 0.001 0.000 0.297 98 R C -1.063 175.196 176.300 -0.070 0.000 0.969 98 R CA -0.669 55.394 56.100 -0.062 0.000 0.879 98 R CB 1.666 31.943 30.300 -0.039 0.000 1.178 98 R HN -0.012 nan 8.270 nan 0.000 0.445 99 N N 1.880 120.491 118.700 -0.149 0.000 2.242 99 N HA 0.497 5.237 4.740 0.001 0.000 0.292 99 N C -1.638 173.729 175.510 -0.239 0.000 1.125 99 N CA -0.784 52.154 53.050 -0.187 0.000 0.783 99 N CB 2.307 40.556 38.487 -0.397 0.000 1.558 99 N HN 0.343 nan 8.380 nan 0.000 0.472 100 L N 1.300 122.482 121.223 -0.068 0.000 2.446 100 L HA 0.608 4.948 4.340 0.001 0.000 0.268 100 L C -1.725 175.335 176.870 0.318 0.000 0.975 100 L CA -0.504 54.357 54.840 0.034 0.000 0.848 100 L CB 0.639 42.752 42.059 0.091 0.000 1.225 100 L HN 0.511 nan 8.230 nan 0.000 0.410 101 W N 3.647 125.009 121.300 0.103 0.000 2.627 101 W HA 0.490 5.151 4.660 0.001 0.000 0.339 101 W C -0.607 176.113 176.519 0.334 0.000 1.058 101 W CA -1.193 56.241 57.345 0.149 0.000 1.223 101 W CB 1.306 30.811 29.460 0.074 0.000 1.389 101 W HN 0.154 nan 8.180 nan 0.000 0.541 102 F N 1.941 122.031 119.950 0.233 0.000 2.450 102 F HA 0.516 5.044 4.527 0.001 0.000 0.332 102 F C -0.254 175.606 175.800 0.099 0.000 1.093 102 F CA -1.668 56.410 58.000 0.130 0.000 1.003 102 F CB 1.089 40.144 39.000 0.091 0.000 1.151 102 F HN -0.169 nan 8.300 nan 0.000 0.474 103 L N 4.502 125.816 121.223 0.150 0.000 2.316 103 L HA 0.593 4.933 4.340 0.001 0.000 0.280 103 L C -0.551 176.315 176.870 -0.007 0.000 1.006 103 L CA -0.529 54.350 54.840 0.066 0.000 0.836 103 L CB 1.345 43.426 42.059 0.038 0.000 1.221 103 L HN 0.429 nan 8.230 nan 0.000 0.418 104 V N 0.406 120.286 119.914 -0.057 0.000 3.019 104 V HA 1.134 5.254 4.120 0.001 0.000 0.317 104 V C 0.111 175.963 176.094 -0.403 0.000 1.094 104 V CA -0.218 61.977 62.300 -0.174 0.000 1.000 104 V CB 1.545 33.275 31.823 -0.155 0.000 1.060 104 V HN 0.820 nan 8.190 nan 0.000 0.443 105 G N 0.727 109.216 108.800 -0.519 0.000 2.356 105 G HA2 0.325 4.286 3.960 0.001 0.000 0.300 105 G HA3 0.325 4.286 3.960 0.001 0.000 0.300 105 G C -1.595 173.275 174.900 -0.050 0.000 1.331 105 G CA -0.740 44.083 45.100 -0.463 0.000 0.905 105 G HN 0.955 nan 8.290 nan 0.000 0.587 106 L N 0.232 121.478 121.223 0.037 0.000 2.439 106 L HA 0.522 4.863 4.340 0.001 0.000 0.259 106 L C 1.120 178.017 176.870 0.045 0.000 1.129 106 L CA -0.774 54.131 54.840 0.108 0.000 0.803 106 L CB 1.215 43.347 42.059 0.122 0.000 1.161 106 L HN 0.703 nan 8.230 nan 0.000 0.462 107 Q N 0.284 120.112 119.800 0.047 0.000 2.330 107 Q HA 0.185 4.525 4.340 0.001 0.000 0.279 107 Q C 0.848 176.858 176.000 0.017 0.000 1.024 107 Q CA 1.006 56.824 55.803 0.025 0.000 0.900 107 Q CB 0.578 29.330 28.738 0.024 0.000 1.221 107 Q HN 0.856 nan 8.270 nan 0.000 0.396 108 G N 1.878 110.683 108.800 0.008 0.000 2.176 108 G HA2 -0.325 3.636 3.960 0.001 0.000 0.253 108 G HA3 -0.325 3.636 3.960 0.001 0.000 0.253 108 G C 0.651 175.551 174.900 -0.000 0.000 0.979 108 G CA 0.643 45.746 45.100 0.004 0.000 0.641 108 G HN 0.799 nan 8.290 nan 0.000 0.530 109 S N -0.507 115.190 115.700 -0.005 0.000 2.496 109 S HA 0.411 4.881 4.470 0.001 0.000 0.224 109 S C 2.206 176.796 174.600 -0.017 0.000 0.996 109 S CA 1.464 59.655 58.200 -0.015 0.000 0.927 109 S CB 0.260 63.441 63.200 -0.032 0.000 0.774 109 S HN 2.372 nan 8.310 nan 0.000 0.524 110 G N 1.742 110.534 108.800 -0.012 0.000 2.159 110 G HA2 -0.310 3.651 3.960 0.001 0.000 0.227 110 G HA3 -0.310 3.651 3.960 0.001 0.000 0.227 110 G C 0.647 175.538 174.900 -0.015 0.000 0.986 110 G CA 0.495 45.589 45.100 -0.009 0.000 0.651 110 G HN 0.587 nan 8.290 nan 0.000 0.523 111 K N 0.019 120.405 120.400 -0.023 0.000 2.015 111 K HA -0.164 4.157 4.320 0.001 0.000 0.216 111 K C 2.448 179.037 176.600 -0.019 0.000 1.052 111 K CA 2.438 58.708 56.287 -0.029 0.000 0.937 111 K CB -0.491 31.984 32.500 -0.041 0.000 0.719 111 K HN 0.311 nan 8.250 nan 0.000 0.446 112 T N 0.419 114.964 114.554 -0.015 0.000 2.708 112 T HA -0.152 4.199 4.350 0.001 0.000 0.266 112 T C 1.901 176.597 174.700 -0.008 0.000 1.037 112 T CA 2.169 64.262 62.100 -0.011 0.000 1.146 112 T CB -0.624 68.238 68.868 -0.009 0.000 0.865 112 T HN 0.644 nan 8.240 nan 0.000 0.435 113 T N 0.407 114.957 114.554 -0.006 0.000 2.788 113 T HA -0.124 4.227 4.350 0.001 0.000 0.268 113 T C 2.101 176.797 174.700 -0.006 0.000 1.044 113 T CA 1.678 63.776 62.100 -0.003 0.000 1.139 113 T CB -1.050 67.818 68.868 0.000 0.000 0.867 113 T HN 0.283 nan 8.240 nan 0.000 0.454 114 T N 1.991 116.538 114.554 -0.011 0.000 2.821 114 T HA 0.140 4.490 4.350 0.001 0.000 0.267 114 T C 2.475 177.162 174.700 -0.022 0.000 1.046 114 T CA 1.069 63.156 62.100 -0.022 0.000 1.139 114 T CB -0.740 68.115 68.868 -0.023 0.000 0.871 114 T HN 0.593 nan 8.240 nan 0.000 0.454 115 A N 1.460 124.276 122.820 -0.006 0.000 1.908 115 A HA 0.082 4.402 4.320 0.001 0.000 0.218 115 A C 2.608 180.198 177.584 0.010 0.000 1.181 115 A CA 1.916 53.958 52.037 0.008 0.000 0.627 115 A CB -1.035 17.968 19.000 0.004 0.000 0.818 115 A HN 0.514 nan 8.150 nan 0.000 0.445 116 A N -0.432 122.390 122.820 0.004 0.000 1.929 116 A HA -0.084 4.236 4.320 0.001 0.000 0.216 116 A C 2.090 179.682 177.584 0.014 0.000 1.176 116 A CA 1.628 53.671 52.037 0.009 0.000 0.628 116 A CB -0.361 18.642 19.000 0.005 0.000 0.816 116 A HN 0.537 nan 8.150 nan 0.000 0.444 117 K N -0.848 119.554 120.400 0.003 0.000 2.097 117 K HA -0.076 4.244 4.320 0.001 0.000 0.206 117 K C 1.816 178.415 176.600 -0.001 0.000 1.049 117 K CA 1.209 57.497 56.287 0.001 0.000 0.933 117 K CB -0.304 32.184 32.500 -0.020 0.000 0.717 117 K HN 0.338 nan 8.250 nan 0.000 0.442 118 L N 0.999 122.204 121.223 -0.030 0.000 2.046 118 L HA -0.129 4.212 4.340 0.001 0.000 0.208 118 L C 2.220 179.192 176.870 0.169 0.000 1.077 118 L CA 1.619 56.451 54.840 -0.013 0.000 0.747 118 L CB -0.633 41.424 42.059 -0.002 0.000 0.896 118 L HN 0.132 nan 8.230 nan 0.000 0.432 119 A N -0.920 121.965 122.820 0.108 0.000 1.877 119 A HA -0.221 4.099 4.320 0.001 0.000 0.216 119 A C 2.230 179.876 177.584 0.103 0.000 1.186 119 A CA 1.956 54.053 52.037 0.100 0.000 0.620 119 A CB -0.985 18.038 19.000 0.040 0.000 0.822 119 A HN 0.417 nan 8.150 nan 0.000 0.443 120 L N -1.575 119.693 121.223 0.076 0.000 2.046 120 L HA -0.147 4.194 4.340 0.001 0.000 0.208 120 L C 2.318 179.222 176.870 0.056 0.000 1.077 120 L CA 2.451 57.323 54.840 0.055 0.000 0.747 120 L CB -0.951 41.135 42.059 0.044 0.000 0.896 120 L HN 0.536 nan 8.230 nan 0.000 0.432 121 Y N -0.966 119.302 120.300 -0.054 0.000 2.097 121 Y HA -0.351 4.199 4.550 0.001 0.000 0.282 121 Y C 2.207 178.015 175.900 -0.153 0.000 1.152 121 Y CA 2.234 60.255 58.100 -0.131 0.000 1.136 121 Y CB -0.578 37.731 38.460 -0.253 0.000 0.975 121 Y HN 0.277 nan 8.280 nan 0.000 0.498 122 Y N 0.492 120.832 120.300 0.067 0.000 2.439 122 Y HA -0.081 4.469 4.550 0.001 0.000 0.292 122 Y C 2.515 178.365 175.900 -0.083 0.000 1.130 122 Y CA 1.315 59.400 58.100 -0.024 0.000 1.254 122 Y CB -0.323 38.169 38.460 0.054 0.000 1.000 122 Y HN 0.092 nan 8.280 nan 0.000 0.554 123 K N 0.057 120.494 120.400 0.062 0.000 2.097 123 K HA -0.094 4.226 4.320 0.001 0.000 0.205 123 K C 2.113 178.694 176.600 -0.033 0.000 1.050 123 K CA 1.249 57.544 56.287 0.015 0.000 0.938 123 K CB -0.536 31.971 32.500 0.012 0.000 0.718 123 K HN 0.403 nan 8.250 nan 0.000 0.442 124 G N 0.677 109.425 108.800 -0.087 0.000 2.744 124 G HA2 -0.105 3.856 3.960 0.001 0.000 0.211 124 G HA3 -0.105 3.856 3.960 0.001 0.000 0.211 124 G C 1.173 175.988 174.900 -0.142 0.000 1.143 124 G CA 0.089 45.122 45.100 -0.113 0.000 0.788 124 G HN 0.143 nan 8.290 nan 0.000 0.534 125 K N 0.111 120.421 120.400 -0.149 0.000 2.372 125 K HA 0.206 4.527 4.320 0.001 0.000 0.200 125 K C 1.476 178.063 176.600 -0.021 0.000 1.022 125 K CA 0.435 56.655 56.287 -0.111 0.000 1.125 125 K CB 0.798 33.220 32.500 -0.129 0.000 0.855 125 K HN 0.302 nan 8.250 nan 0.000 0.524 126 G N 2.023 110.812 108.800 -0.018 0.000 2.157 126 G HA2 -0.210 3.751 3.960 0.001 0.000 0.239 126 G HA3 -0.210 3.751 3.960 0.001 0.000 0.239 126 G C 0.018 174.920 174.900 0.004 0.000 0.982 126 G CA -0.265 44.832 45.100 -0.005 0.000 0.650 126 G HN 0.110 nan 8.290 nan 0.000 0.527 127 R N -0.006 120.505 120.500 0.019 0.000 2.532 127 R HA 0.623 4.963 4.340 0.001 0.000 0.272 127 R C 0.388 176.678 176.300 -0.016 0.000 1.032 127 R CA -0.661 55.439 56.100 0.001 0.000 1.089 127 R CB 0.441 30.750 30.300 0.016 0.000 1.098 127 R HN 0.324 nan 8.270 nan 0.000 0.526 128 R N 2.066 122.540 120.500 -0.043 0.000 2.505 128 R HA 0.281 4.622 4.340 0.001 0.000 0.284 128 R C -2.171 174.089 176.300 -0.066 0.000 1.324 128 R CA -1.596 54.479 56.100 -0.042 0.000 1.432 128 R CB 1.283 31.559 30.300 -0.039 0.000 1.107 128 R HN 0.383 nan 8.270 nan 0.000 0.587 129 P HA 0.136 nan 4.420 nan 0.000 0.276 129 P C -0.963 176.300 177.300 -0.061 0.000 1.244 129 P CA -0.608 62.442 63.100 -0.084 0.000 0.801 129 P CB 1.178 32.842 31.700 -0.059 0.000 1.006 130 L N 2.549 123.730 121.223 -0.070 0.000 2.404 130 L HA 0.431 4.771 4.340 0.001 0.000 0.272 130 L C -1.251 175.593 176.870 -0.042 0.000 0.980 130 L CA -0.634 54.178 54.840 -0.048 0.000 0.836 130 L CB 1.042 43.073 42.059 -0.047 0.000 1.238 130 L HN 0.178 nan 8.230 nan 0.000 0.408 131 L N 5.392 126.598 121.223 -0.029 0.000 2.350 131 L HA 0.620 4.961 4.340 0.001 0.000 0.275 131 L C -0.631 176.224 176.870 -0.025 0.000 1.099 131 L CA -0.640 54.186 54.840 -0.023 0.000 0.808 131 L CB 1.639 43.689 42.059 -0.015 0.000 1.149 131 L HN 0.415 nan 8.230 nan 0.000 0.442 132 V N 2.728 122.624 119.914 -0.031 0.000 2.443 132 V HA 0.437 4.557 4.120 0.001 0.000 0.293 132 V C 0.138 176.202 176.094 -0.050 0.000 1.021 132 V CA -0.730 61.547 62.300 -0.038 0.000 0.848 132 V CB 1.610 33.408 31.823 -0.041 0.000 0.998 132 V HN 0.819 nan 8.190 nan 0.000 0.424 133 A N 3.701 126.497 122.820 -0.041 0.000 2.527 133 A HA 0.671 4.992 4.320 0.001 0.000 0.313 133 A C 1.101 178.655 177.584 -0.050 0.000 1.410 133 A CA 0.277 52.289 52.037 -0.042 0.000 1.060 133 A CB 0.452 19.436 19.000 -0.028 0.000 1.137 133 A HN 1.285 nan 8.150 nan 0.000 0.542 134 A N 2.190 124.965 122.820 -0.075 0.000 2.307 134 A HA 0.167 4.488 4.320 0.001 0.000 0.218 134 A C 0.676 178.225 177.584 -0.058 0.000 1.228 134 A CA 0.055 52.043 52.037 -0.082 0.000 0.857 134 A CB -0.101 18.807 19.000 -0.152 0.000 0.897 134 A HN 0.662 nan 8.150 nan 0.000 0.495 135 D N 1.449 121.824 120.400 -0.042 0.000 2.359 135 D HA 0.082 4.722 4.640 0.001 0.000 0.250 135 D C 1.210 177.499 176.300 -0.017 0.000 1.264 135 D CA 0.738 54.723 54.000 -0.025 0.000 0.911 135 D CB 0.711 41.501 40.800 -0.017 0.000 1.056 135 D HN 0.298 nan 8.370 nan 0.000 0.499 136 T N 0.496 115.042 114.554 -0.014 0.000 3.252 136 T HA 0.015 4.365 4.350 0.001 0.000 0.250 136 T C 1.107 175.804 174.700 -0.004 0.000 1.123 136 T CA 0.496 62.591 62.100 -0.008 0.000 1.006 136 T CB 0.124 68.989 68.868 -0.005 0.000 0.992 136 T HN 0.359 nan 8.240 nan 0.000 0.547 137 Q N -0.044 119.753 119.800 -0.004 0.000 2.288 137 Q HA 0.284 4.624 4.340 0.001 0.000 0.256 137 Q C 0.333 176.332 176.000 -0.002 0.000 0.835 137 Q CA -0.121 55.681 55.803 -0.002 0.000 0.958 137 Q CB 1.011 29.749 28.738 0.000 0.000 1.125 137 Q HN 0.277 nan 8.270 nan 0.000 0.513 138 R N 1.186 121.684 120.500 -0.003 0.000 2.312 138 R HA 0.242 4.583 4.340 0.001 0.000 0.310 138 R C -2.372 173.926 176.300 -0.005 0.000 1.064 138 R CA -1.615 54.483 56.100 -0.003 0.000 0.983 138 R CB 1.147 31.446 30.300 -0.001 0.000 1.139 138 R HN -0.019 nan 8.270 nan 0.000 0.536 139 P HA -0.156 nan 4.420 nan 0.000 0.216 139 P C 1.231 178.528 177.300 -0.005 0.000 1.150 139 P CA 1.175 64.272 63.100 -0.005 0.000 0.837 139 P CB 0.329 32.026 31.700 -0.004 0.000 0.786 140 A N -0.024 122.794 122.820 -0.003 0.000 1.972 140 A HA -0.091 4.230 4.320 0.001 0.000 0.219 140 A C 2.308 179.889 177.584 -0.004 0.000 1.169 140 A CA 1.968 54.003 52.037 -0.003 0.000 0.635 140 A CB -1.521 17.478 19.000 -0.002 0.000 0.810 140 A HN 0.207 nan 8.150 nan 0.000 0.446 141 A N -0.044 122.773 122.820 -0.004 0.000 1.930 141 A HA -0.125 4.196 4.320 0.001 0.000 0.217 141 A C 2.243 179.821 177.584 -0.009 0.000 1.175 141 A CA 1.325 53.358 52.037 -0.006 0.000 0.627 141 A CB -0.404 18.593 19.000 -0.006 0.000 0.815 141 A HN 0.557 nan 8.150 nan 0.000 0.443 142 R N -0.464 120.030 120.500 -0.010 0.000 2.092 142 R HA -0.062 4.279 4.340 0.001 0.000 0.231 142 R C 1.871 178.165 176.300 -0.010 0.000 1.119 142 R CA 1.157 57.249 56.100 -0.013 0.000 0.970 142 R CB -0.286 30.006 30.300 -0.013 0.000 0.864 142 R HN 0.463 nan 8.270 nan 0.000 0.440 143 E N 1.034 121.229 120.200 -0.007 0.000 2.153 143 E HA -0.214 4.136 4.350 0.001 0.000 0.194 143 E C 1.937 178.533 176.600 -0.005 0.000 0.988 143 E CA 0.928 57.325 56.400 -0.006 0.000 0.811 143 E CB -0.043 29.655 29.700 -0.004 0.000 0.746 143 E HN 0.404 nan 8.360 nan 0.000 0.466 144 Q N 0.282 120.079 119.800 -0.005 0.000 2.084 144 Q HA -0.175 4.166 4.340 0.001 0.000 0.202 144 Q C 2.264 178.261 176.000 -0.005 0.000 0.978 144 Q CA 1.019 56.820 55.803 -0.004 0.000 0.844 144 Q CB -0.036 28.699 28.738 -0.004 0.000 0.898 144 Q HN 0.168 nan 8.270 nan 0.000 0.426 145 L N 0.857 122.075 121.223 -0.007 0.000 2.072 145 L HA -0.120 4.220 4.340 0.001 0.000 0.205 145 L C 2.492 179.358 176.870 -0.007 0.000 1.079 145 L CA 1.727 56.562 54.840 -0.008 0.000 0.752 145 L CB -0.553 41.498 42.059 -0.013 0.000 0.906 145 L HN 0.131 nan 8.230 nan 0.000 0.436 146 R N -0.929 119.566 120.500 -0.008 0.000 2.083 146 R HA -0.199 4.142 4.340 0.001 0.000 0.237 146 R C 2.192 178.489 176.300 -0.005 0.000 1.137 146 R CA 1.964 58.060 56.100 -0.007 0.000 0.951 146 R CB -0.369 29.927 30.300 -0.007 0.000 0.851 146 R HN 0.343 nan 8.270 nan 0.000 0.434 147 L N 0.767 121.988 121.223 -0.003 0.000 2.017 147 L HA -0.141 4.200 4.340 0.001 0.000 0.208 147 L C 2.324 179.193 176.870 -0.001 0.000 1.073 147 L CA 1.550 56.389 54.840 -0.002 0.000 0.745 147 L CB -0.495 41.564 42.059 -0.001 0.000 0.894 147 L HN 0.241 nan 8.230 nan 0.000 0.432 148 L N -1.454 119.769 121.223 -0.001 0.000 2.046 148 L HA -0.140 4.201 4.340 0.001 0.000 0.208 148 L C 2.460 179.331 176.870 0.002 0.000 1.077 148 L CA 1.314 56.154 54.840 0.001 0.000 0.747 148 L CB -1.155 40.904 42.059 0.001 0.000 0.896 148 L HN 0.411 nan 8.230 nan 0.000 0.432 149 G N -0.499 108.301 108.800 -0.000 0.000 2.404 149 G HA2 -0.199 3.762 3.960 0.001 0.000 0.214 149 G HA3 -0.199 3.762 3.960 0.001 0.000 0.214 149 G C 1.389 176.289 174.900 -0.000 0.000 1.189 149 G CA 0.326 45.426 45.100 -0.000 0.000 0.789 149 G HN 0.367 nan 8.290 nan 0.000 0.533 150 E N 0.123 120.322 120.200 -0.002 0.000 2.204 150 E HA -0.102 4.248 4.350 0.001 0.000 0.195 150 E C 2.300 178.900 176.600 0.000 0.000 0.990 150 E CA 0.629 57.028 56.400 -0.002 0.000 0.821 150 E CB -0.037 29.662 29.700 -0.003 0.000 0.750 150 E HN 0.377 nan 8.360 nan 0.000 0.477 151 K N 1.103 121.504 120.400 0.001 0.000 2.148 151 K HA -0.104 4.217 4.320 0.001 0.000 0.204 151 K C 1.819 178.422 176.600 0.004 0.000 1.050 151 K CA 1.333 57.622 56.287 0.003 0.000 0.942 151 K CB 0.217 32.719 32.500 0.004 0.000 0.724 151 K HN 0.147 nan 8.250 nan 0.000 0.446 152 V N -3.153 116.764 119.914 0.005 0.000 3.596 152 V HA 0.338 4.459 4.120 0.001 0.000 0.289 152 V C 0.687 176.784 176.094 0.005 0.000 1.336 152 V CA 0.331 62.635 62.300 0.007 0.000 1.137 152 V CB -0.152 31.678 31.823 0.012 0.000 0.966 152 V HN 0.331 nan 8.190 nan 0.000 0.428 153 G N 0.078 108.879 108.800 0.002 0.000 2.160 153 G HA2 -0.179 3.782 3.960 0.001 0.000 0.244 153 G HA3 -0.179 3.782 3.960 0.001 0.000 0.244 153 G C -0.115 174.784 174.900 -0.002 0.000 1.022 153 G CA 0.137 45.236 45.100 -0.000 0.000 0.741 153 G HN 0.917 nan 8.290 nan 0.000 0.508 154 V N 1.815 121.728 119.914 -0.001 0.000 2.495 154 V HA 0.582 4.702 4.120 0.001 0.000 0.298 154 V C -1.592 174.498 176.094 -0.008 0.000 1.031 154 V CA -1.749 60.549 62.300 -0.004 0.000 0.871 154 V CB 2.164 33.986 31.823 -0.001 0.000 0.988 154 V HN 0.199 nan 8.190 nan 0.000 0.432 155 P HA 0.226 nan 4.420 nan 0.000 0.271 155 P C -0.981 176.311 177.300 -0.014 0.000 1.218 155 P CA 0.026 63.118 63.100 -0.012 0.000 0.780 155 P CB 1.227 32.919 31.700 -0.015 0.000 0.901 156 V N 4.160 124.066 119.914 -0.013 0.000 2.531 156 V HA 0.340 4.460 4.120 0.001 0.000 0.301 156 V C 0.124 176.209 176.094 -0.014 0.000 1.034 156 V CA -0.764 61.528 62.300 -0.014 0.000 0.865 156 V CB 1.889 33.705 31.823 -0.012 0.000 0.995 156 V HN 0.458 nan 8.190 nan 0.000 0.424 157 L N 4.164 125.377 121.223 -0.017 0.000 2.287 157 L HA 0.606 4.946 4.340 0.001 0.000 0.287 157 L C 0.005 176.865 176.870 -0.017 0.000 1.022 157 L CA -0.082 54.749 54.840 -0.015 0.000 0.814 157 L CB 1.168 43.218 42.059 -0.015 0.000 1.217 157 L HN 0.679 nan 8.230 nan 0.000 0.420 158 E N 4.174 124.366 120.200 -0.014 0.000 2.175 158 E HA 0.316 4.667 4.350 0.001 0.000 0.278 158 E C -0.556 176.036 176.600 -0.014 0.000 0.969 158 E CA -0.710 55.681 56.400 -0.015 0.000 0.796 158 E CB 2.155 31.847 29.700 -0.012 0.000 1.104 158 E HN 0.552 nan 8.360 nan 0.000 0.395 159 V N 0.709 120.613 119.914 -0.017 0.000 3.133 159 V HA 0.369 4.490 4.120 0.001 0.000 0.305 159 V C 0.213 176.301 176.094 -0.010 0.000 1.084 159 V CA -0.696 61.596 62.300 -0.014 0.000 1.089 159 V CB 0.723 32.535 31.823 -0.018 0.000 1.073 159 V HN 0.617 nan 8.190 nan 0.000 0.477 160 M N 1.239 120.835 119.600 -0.006 0.000 2.444 160 M HA 0.399 4.880 4.480 0.001 0.000 0.319 160 M C -0.310 175.988 176.300 -0.004 0.000 1.183 160 M CA -0.661 54.637 55.300 -0.004 0.000 1.032 160 M CB 0.783 33.382 32.600 -0.002 0.000 1.569 160 M HN 0.649 nan 8.290 nan 0.000 0.468 161 D N 1.779 122.177 120.400 -0.003 0.000 2.520 161 D HA 0.102 4.742 4.640 0.001 0.000 0.243 161 D C 1.137 177.436 176.300 -0.001 0.000 1.160 161 D CA 1.338 55.337 54.000 -0.002 0.000 0.877 161 D CB 0.479 41.278 40.800 -0.002 0.000 1.150 161 D HN 0.931 nan 8.370 nan 0.000 0.494 162 G N 2.817 111.617 108.800 0.000 0.000 2.166 162 G HA2 -0.345 3.615 3.960 0.001 0.000 0.260 162 G HA3 -0.345 3.615 3.960 0.001 0.000 0.260 162 G C 0.396 175.298 174.900 0.003 0.000 0.986 162 G CA 0.477 45.578 45.100 0.002 0.000 0.683 162 G HN 0.628 nan 8.290 nan 0.000 0.527 163 E N 1.094 121.295 120.200 0.002 0.000 2.384 163 E HA 0.424 4.775 4.350 0.001 0.000 0.266 163 E C 1.223 177.828 176.600 0.008 0.000 1.012 163 E CA 0.269 56.671 56.400 0.004 0.000 0.901 163 E CB 0.325 30.026 29.700 0.002 0.000 0.967 163 E HN 0.561 nan 8.360 nan 0.000 0.435 164 S N 3.720 119.427 115.700 0.011 0.000 2.585 164 S HA 0.161 4.631 4.470 0.001 0.000 0.273 164 S C -1.878 172.735 174.600 0.021 0.000 1.339 164 S CA -1.190 57.020 58.200 0.016 0.000 1.028 164 S CB 1.269 64.478 63.200 0.015 0.000 0.906 164 S HN 0.390 nan 8.310 nan 0.000 0.528 165 P HA -0.073 nan 4.420 nan 0.000 0.216 165 P C 0.981 178.306 177.300 0.042 0.000 1.150 165 P CA 1.239 64.365 63.100 0.044 0.000 0.837 165 P CB 0.002 31.736 31.700 0.057 0.000 0.786 166 E N -0.787 119.432 120.200 0.032 0.000 2.106 166 E HA -0.131 4.220 4.350 0.001 0.000 0.192 166 E C 2.216 178.830 176.600 0.023 0.000 0.984 166 E CA 1.396 57.812 56.400 0.028 0.000 0.806 166 E CB -0.906 28.806 29.700 0.022 0.000 0.750 166 E HN 0.131 nan 8.360 nan 0.000 0.458 167 S N -0.194 115.517 115.700 0.019 0.000 2.368 167 S HA -0.084 4.387 4.470 0.001 0.000 0.224 167 S C 1.914 176.523 174.600 0.015 0.000 1.029 167 S CA 0.732 58.941 58.200 0.014 0.000 0.988 167 S CB -0.199 63.007 63.200 0.011 0.000 0.838 167 S HN 0.187 nan 8.310 nan 0.000 0.462 168 I N 1.349 121.930 120.570 0.018 0.000 2.179 168 I HA -0.169 4.001 4.170 0.001 0.000 0.242 168 I C 2.843 178.975 176.117 0.025 0.000 1.088 168 I CA 1.484 62.794 61.300 0.018 0.000 1.357 168 I CB -0.416 37.595 38.000 0.019 0.000 1.051 168 I HN 0.339 nan 8.210 nan 0.000 0.409 169 R N 0.915 121.436 120.500 0.036 0.000 2.083 169 R HA -0.194 4.147 4.340 0.001 0.000 0.237 169 R C 2.550 178.865 176.300 0.026 0.000 1.137 169 R CA 1.433 57.557 56.100 0.040 0.000 0.951 169 R CB -0.085 30.241 30.300 0.045 0.000 0.851 169 R HN 0.186 nan 8.270 nan 0.000 0.434 170 R N 0.663 121.175 120.500 0.020 0.000 2.082 170 R HA -0.110 4.231 4.340 0.001 0.000 0.234 170 R C 2.342 178.647 176.300 0.009 0.000 1.136 170 R CA 1.695 57.803 56.100 0.013 0.000 0.935 170 R CB -0.787 29.519 30.300 0.011 0.000 0.842 170 R HN 0.390 nan 8.270 nan 0.000 0.430 171 R N 0.198 120.703 120.500 0.008 0.000 2.091 171 R HA -0.075 4.266 4.340 0.001 0.000 0.238 171 R C 2.370 178.672 176.300 0.002 0.000 1.136 171 R CA 1.474 57.577 56.100 0.004 0.000 0.959 171 R CB -0.658 29.643 30.300 0.002 0.000 0.856 171 R HN 0.054 nan 8.270 nan 0.000 0.437 172 V N 1.745 121.663 119.914 0.006 0.000 2.295 172 V HA -0.247 3.873 4.120 0.001 0.000 0.246 172 V C 2.587 178.682 176.094 0.002 0.000 1.049 172 V CA 2.068 64.371 62.300 0.004 0.000 1.024 172 V CB -0.625 31.207 31.823 0.014 0.000 0.648 172 V HN 0.450 nan 8.190 nan 0.000 0.447 173 E N 0.317 120.521 120.200 0.007 0.000 2.085 173 E HA -0.308 4.042 4.350 0.001 0.000 0.194 173 E C 2.165 178.764 176.600 -0.002 0.000 0.994 173 E CA 1.949 58.352 56.400 0.004 0.000 0.801 173 E CB -0.137 29.568 29.700 0.009 0.000 0.743 173 E HN 0.743 nan 8.360 nan 0.000 0.453 174 E N 0.698 120.898 120.200 -0.001 0.000 2.028 174 E HA -0.199 4.152 4.350 0.001 0.000 0.191 174 E C 2.237 178.833 176.600 -0.006 0.000 0.988 174 E CA 1.091 57.489 56.400 -0.003 0.000 0.799 174 E CB -0.028 29.671 29.700 -0.001 0.000 0.755 174 E HN 0.135 nan 8.360 nan 0.000 0.447 175 K N 0.036 120.432 120.400 -0.007 0.000 2.103 175 K HA -0.175 4.145 4.320 0.001 0.000 0.207 175 K C 1.930 178.521 176.600 -0.014 0.000 1.048 175 K CA 1.177 57.458 56.287 -0.010 0.000 0.930 175 K CB -0.119 32.375 32.500 -0.011 0.000 0.716 175 K HN 0.135 nan 8.250 nan 0.000 0.444 176 A N 1.289 124.099 122.820 -0.016 0.000 1.898 176 A HA -0.153 4.167 4.320 0.001 0.000 0.216 176 A C 2.123 179.694 177.584 -0.021 0.000 1.181 176 A CA 1.365 53.388 52.037 -0.023 0.000 0.620 176 A CB -0.487 18.498 19.000 -0.025 0.000 0.819 176 A HN 0.358 nan 8.150 nan 0.000 0.442 177 R N -0.208 120.283 120.500 -0.015 0.000 2.073 177 R HA -0.012 4.328 4.340 0.001 0.000 0.229 177 R C 1.906 178.199 176.300 -0.012 0.000 1.120 177 R CA 1.369 57.461 56.100 -0.013 0.000 0.967 177 R CB -0.359 29.936 30.300 -0.009 0.000 0.862 177 R HN 0.521 nan 8.270 nan 0.000 0.436 178 L N 0.338 121.555 121.223 -0.011 0.000 2.056 178 L HA -0.094 4.247 4.340 0.001 0.000 0.207 178 L C 1.585 178.448 176.870 -0.012 0.000 1.078 178 L CA 1.412 56.246 54.840 -0.010 0.000 0.749 178 L CB -0.279 41.775 42.059 -0.008 0.000 0.901 178 L HN 0.227 nan 8.230 nan 0.000 0.433 179 E N 0.235 120.426 120.200 -0.014 0.000 2.463 179 E HA 0.222 4.572 4.350 0.001 0.000 0.193 179 E C 0.649 177.237 176.600 -0.020 0.000 1.041 179 E CA 0.348 56.738 56.400 -0.016 0.000 0.879 179 E CB 0.335 30.024 29.700 -0.017 0.000 0.997 179 E HN 0.367 nan 8.360 nan 0.000 0.478 180 A N 2.604 125.412 122.820 -0.020 0.000 2.466 180 A HA -0.235 4.085 4.320 0.001 0.000 0.295 180 A C -0.166 177.399 177.584 -0.032 0.000 1.465 180 A CA 0.684 52.707 52.037 -0.024 0.000 0.744 180 A CB -1.160 17.828 19.000 -0.020 0.000 1.098 180 A HN 0.174 nan 8.150 nan 0.000 0.402 181 R N 0.091 120.568 120.500 -0.039 0.000 2.349 181 R HA 0.373 4.713 4.340 0.001 0.000 0.299 181 R C 0.463 176.720 176.300 -0.072 0.000 1.027 181 R CA 0.107 56.174 56.100 -0.055 0.000 0.958 181 R CB 0.849 31.115 30.300 -0.056 0.000 1.047 181 R HN 0.683 nan 8.270 nan 0.000 0.468 182 D N 0.725 121.069 120.400 -0.092 0.000 2.407 182 D HA 0.041 4.681 4.640 0.001 0.000 0.208 182 D C 0.126 176.309 176.300 -0.195 0.000 1.083 182 D CA -0.094 53.837 54.000 -0.115 0.000 0.844 182 D CB 0.295 41.039 40.800 -0.094 0.000 0.967 182 D HN 0.165 nan 8.370 nan 0.000 0.506 183 L N 1.114 122.198 121.223 -0.233 0.000 2.471 183 L HA 0.452 4.792 4.340 0.001 0.000 0.263 183 L C -1.648 175.039 176.870 -0.306 0.000 0.985 183 L CA -0.807 53.798 54.840 -0.392 0.000 0.868 183 L CB 1.256 43.007 42.059 -0.513 0.000 1.203 183 L HN -0.051 nan 8.230 nan 0.000 0.429 184 I N 5.648 126.058 120.570 -0.267 0.000 2.325 184 I HA 0.314 4.484 4.170 0.001 0.000 0.291 184 I C -0.553 175.495 176.117 -0.116 0.000 1.019 184 I CA -0.281 60.934 61.300 -0.142 0.000 1.302 184 I CB 1.021 38.983 38.000 -0.063 0.000 1.401 184 I HN 0.447 nan 8.210 nan 0.000 0.485 185 L N 7.460 128.645 121.223 -0.062 0.000 2.295 185 L HA 0.425 4.766 4.340 0.001 0.000 0.281 185 L C -0.563 176.319 176.870 0.019 0.000 1.018 185 L CA -0.791 54.059 54.840 0.017 0.000 0.841 185 L CB 1.383 43.450 42.059 0.013 0.000 1.218 185 L HN 0.300 nan 8.230 nan 0.000 0.424 186 V N 1.502 121.438 119.914 0.037 0.000 2.368 186 V HA 0.119 4.239 4.120 0.001 0.000 0.266 186 V C -0.042 175.965 176.094 -0.146 0.000 1.045 186 V CA -0.400 61.838 62.300 -0.102 0.000 0.899 186 V CB 1.298 32.952 31.823 -0.282 0.000 1.006 186 V HN 0.593 nan 8.190 nan 0.000 0.470 187 D N 4.557 124.892 120.400 -0.110 0.000 2.365 187 D HA 0.257 4.898 4.640 0.001 0.000 0.237 187 D C 0.650 176.874 176.300 -0.126 0.000 1.190 187 D CA -0.104 53.843 54.000 -0.089 0.000 0.867 187 D CB 0.984 41.755 40.800 -0.049 0.000 1.050 187 D HN 0.709 nan 8.370 nan 0.000 0.491 188 T N 0.640 115.105 114.554 -0.149 0.000 2.849 188 T HA 0.597 4.947 4.350 0.001 0.000 0.284 188 T C 0.638 175.310 174.700 -0.046 0.000 1.004 188 T CA -0.901 61.119 62.100 -0.133 0.000 1.021 188 T CB 1.165 69.951 68.868 -0.136 0.000 1.013 188 T HN 0.424 nan 8.240 nan 0.000 0.527 189 A N 0.663 123.470 122.820 -0.022 0.000 2.565 189 A HA 0.514 4.835 4.320 0.001 0.000 0.237 189 A C 0.816 178.425 177.584 0.041 0.000 1.053 189 A CA -0.013 52.028 52.037 0.007 0.000 0.755 189 A CB -0.778 18.229 19.000 0.012 0.000 0.980 189 A HN 1.323 nan 8.150 nan 0.000 0.506 190 G N 2.678 111.499 108.800 0.034 0.000 2.544 190 G HA2 0.579 4.540 3.960 0.001 0.000 0.313 190 G HA3 0.579 4.540 3.960 0.001 0.000 0.313 190 G C -0.357 174.572 174.900 0.049 0.000 1.316 190 G CA -0.664 44.468 45.100 0.054 0.000 0.944 190 G HN 0.636 nan 8.290 nan 0.000 0.489 191 R N 2.158 122.698 120.500 0.068 0.000 2.832 191 R HA 0.411 4.752 4.340 0.001 0.000 0.271 191 R C 1.183 177.512 176.300 0.049 0.000 0.996 191 R CA -1.120 55.008 56.100 0.047 0.000 0.977 191 R CB 1.763 32.086 30.300 0.037 0.000 1.168 191 R HN 0.457 nan 8.270 nan 0.000 0.482 192 L N 0.612 121.854 121.223 0.032 0.000 2.191 192 L HA -0.156 4.185 4.340 0.001 0.000 0.212 192 L C 0.405 177.295 176.870 0.033 0.000 1.103 192 L CA 1.775 56.633 54.840 0.029 0.000 0.769 192 L CB -0.005 42.064 42.059 0.017 0.000 0.908 192 L HN 0.461 nan 8.230 nan 0.000 0.438 193 Q N -1.723 118.095 119.800 0.030 0.000 2.553 193 Q HA 0.461 4.802 4.340 0.001 0.000 0.293 193 Q C -0.986 175.020 176.000 0.011 0.000 1.038 193 Q CA -0.745 55.071 55.803 0.022 0.000 0.777 193 Q CB 2.641 31.383 28.738 0.007 0.000 1.487 193 Q HN -0.023 nan 8.270 nan 0.000 0.426 194 I N 2.680 123.240 120.570 -0.016 0.000 2.396 194 I HA 0.130 4.300 4.170 0.001 0.000 0.289 194 I C -0.575 175.497 176.117 -0.076 0.000 1.056 194 I CA 0.131 61.381 61.300 -0.083 0.000 1.365 194 I CB 0.289 38.203 38.000 -0.143 0.000 1.407 194 I HN 0.513 nan 8.210 nan 0.000 0.509 195 D N 5.511 125.864 120.400 -0.079 0.000 2.649 195 D HA 0.114 4.754 4.640 0.001 0.000 0.249 195 D C 0.407 176.665 176.300 -0.069 0.000 1.112 195 D CA -0.598 53.367 54.000 -0.057 0.000 0.850 195 D CB 2.007 42.788 40.800 -0.032 0.000 1.399 195 D HN 0.584 nan 8.370 nan 0.000 0.503 196 E N 1.831 121.995 120.200 -0.060 0.000 2.086 196 E HA -0.207 4.143 4.350 0.001 0.000 0.205 196 E C -0.890 175.685 176.600 -0.042 0.000 1.027 196 E CA 1.989 58.355 56.400 -0.056 0.000 0.830 196 E CB -0.674 29.002 29.700 -0.040 0.000 0.751 196 E HN 0.356 nan 8.360 nan 0.000 0.456 197 P HA -0.202 nan 4.420 nan 0.000 0.215 197 P C 1.616 178.908 177.300 -0.014 0.000 1.163 197 P CA 1.216 64.305 63.100 -0.017 0.000 0.894 197 P CB -0.146 31.546 31.700 -0.012 0.000 0.791 198 L N -2.067 119.145 121.223 -0.018 0.000 2.083 198 L HA -0.155 4.185 4.340 0.001 0.000 0.209 198 L C 2.209 179.074 176.870 -0.009 0.000 1.083 198 L CA 1.745 56.582 54.840 -0.006 0.000 0.752 198 L CB -0.603 41.455 42.059 -0.001 0.000 0.899 198 L HN -0.123 nan 8.230 nan 0.000 0.433 199 M N -0.468 119.100 119.600 -0.054 0.000 2.159 199 M HA -0.103 4.377 4.480 0.001 0.000 0.263 199 M C 2.281 178.572 176.300 -0.014 0.000 1.063 199 M CA 1.611 56.869 55.300 -0.070 0.000 1.110 199 M CB -2.009 30.511 32.600 -0.135 0.000 1.374 199 M HN 0.428 nan 8.290 nan 0.000 0.411 200 G N -0.565 108.228 108.800 -0.011 0.000 2.408 200 G HA2 -0.207 3.754 3.960 0.001 0.000 0.217 200 G HA3 -0.207 3.754 3.960 0.001 0.000 0.217 200 G C 1.562 176.478 174.900 0.027 0.000 1.150 200 G CA 0.590 45.693 45.100 0.006 0.000 0.776 200 G HN 0.522 nan 8.290 nan 0.000 0.542 201 E N 0.077 120.295 120.200 0.029 0.000 2.072 201 E HA -0.035 4.315 4.350 0.001 0.000 0.191 201 E C 2.544 179.190 176.600 0.078 0.000 0.985 201 E CA 0.430 56.856 56.400 0.043 0.000 0.801 201 E CB -0.146 29.573 29.700 0.031 0.000 0.750 201 E HN 0.415 nan 8.360 nan 0.000 0.452 202 L N 0.310 121.589 121.223 0.093 0.000 2.017 202 L HA -0.167 4.174 4.340 0.001 0.000 0.208 202 L C 2.715 179.701 176.870 0.194 0.000 1.073 202 L CA 1.129 56.069 54.840 0.167 0.000 0.745 202 L CB -0.578 41.594 42.059 0.189 0.000 0.894 202 L HN 0.169 nan 8.230 nan 0.000 0.432 203 A N 0.132 123.023 122.820 0.118 0.000 1.908 203 A HA -0.270 4.051 4.320 0.001 0.000 0.218 203 A C 2.323 179.958 177.584 0.085 0.000 1.181 203 A CA 1.966 54.056 52.037 0.088 0.000 0.627 203 A CB -0.474 18.554 19.000 0.047 0.000 0.818 203 A HN 0.294 nan 8.150 nan 0.000 0.445 204 R N -0.520 120.029 120.500 0.083 0.000 2.075 204 R HA -0.021 4.319 4.340 0.001 0.000 0.232 204 R C 1.839 178.205 176.300 0.109 0.000 1.126 204 R CA 1.554 57.698 56.100 0.074 0.000 0.963 204 R CB -1.006 29.328 30.300 0.056 0.000 0.858 204 R HN 0.393 nan 8.270 nan 0.000 0.435 205 L N 1.071 122.393 121.223 0.165 0.000 2.083 205 L HA -0.076 4.265 4.340 0.001 0.000 0.209 205 L C 2.197 179.276 176.870 0.349 0.000 1.083 205 L CA 2.001 56.992 54.840 0.252 0.000 0.752 205 L CB -0.539 41.675 42.059 0.258 0.000 0.899 205 L HN 0.276 nan 8.230 nan 0.000 0.433 206 K N -0.573 119.990 120.400 0.272 0.000 2.097 206 K HA -0.195 4.126 4.320 0.001 0.000 0.206 206 K C 1.901 178.462 176.600 -0.065 0.000 1.049 206 K CA 1.663 57.907 56.287 -0.073 0.000 0.933 206 K CB -0.092 32.350 32.500 -0.096 0.000 0.717 206 K HN 0.450 nan 8.250 nan 0.000 0.442 207 E N -0.081 120.127 120.200 0.013 0.000 2.072 207 E HA -0.142 4.208 4.350 0.001 0.000 0.191 207 E C 1.925 178.536 176.600 0.017 0.000 0.985 207 E CA 1.360 57.763 56.400 0.005 0.000 0.801 207 E CB 0.176 29.888 29.700 0.020 0.000 0.750 207 E HN 0.122 nan 8.360 nan 0.000 0.452 208 V N 1.036 120.980 119.914 0.050 0.000 2.488 208 V HA -0.155 3.966 4.120 0.001 0.000 0.246 208 V C 2.102 178.234 176.094 0.063 0.000 1.046 208 V CA 1.171 63.505 62.300 0.056 0.000 1.053 208 V CB -0.204 31.661 31.823 0.069 0.000 0.679 208 V HN 0.248 nan 8.190 nan 0.000 0.458 209 L N 0.319 121.602 121.223 0.100 0.000 2.375 209 L HA 0.287 4.627 4.340 0.001 0.000 0.215 209 L C 1.616 178.499 176.870 0.022 0.000 1.108 209 L CA 0.813 55.722 54.840 0.115 0.000 0.830 209 L CB -0.720 41.523 42.059 0.307 0.000 0.959 209 L HN 0.548 nan 8.230 nan 0.000 0.457 210 G N 2.078 110.841 108.800 -0.062 0.000 2.372 210 G HA2 -0.204 3.757 3.960 0.001 0.000 0.297 210 G HA3 -0.204 3.757 3.960 0.001 0.000 0.297 210 G C -2.079 172.754 174.900 -0.112 0.000 1.005 210 G CA -0.469 44.575 45.100 -0.094 0.000 1.173 210 G HN 0.206 nan 8.290 nan 0.000 0.511 211 P HA 0.208 nan 4.420 nan 0.000 0.269 211 P C 0.391 177.663 177.300 -0.046 0.000 1.209 211 P CA 0.153 63.167 63.100 -0.142 0.000 0.776 211 P CB 0.603 32.049 31.700 -0.422 0.000 0.876 212 D N -0.290 120.175 120.400 0.107 0.000 2.347 212 D HA 0.013 4.654 4.640 0.001 0.000 0.213 212 D C 0.199 176.512 176.300 0.021 0.000 0.985 212 D CA 0.693 54.748 54.000 0.091 0.000 0.879 212 D CB 0.152 41.057 40.800 0.175 0.000 0.919 212 D HN 0.331 nan 8.370 nan 0.000 0.526 213 E N 0.125 120.324 120.200 -0.002 0.000 2.343 213 E HA 0.372 4.722 4.350 0.001 0.000 0.278 213 E C -1.411 175.150 176.600 -0.064 0.000 0.910 213 E CA -0.810 55.473 56.400 -0.194 0.000 0.757 213 E CB 3.105 32.331 29.700 -0.789 0.000 1.218 213 E HN -0.168 nan 8.360 nan 0.000 0.435 214 V N 3.471 123.359 119.914 -0.042 0.000 2.340 214 V HA 0.292 4.413 4.120 0.001 0.000 0.277 214 V C -0.210 175.899 176.094 0.026 0.000 1.017 214 V CA -0.563 61.769 62.300 0.054 0.000 0.820 214 V CB 0.869 32.715 31.823 0.037 0.000 1.028 214 V HN 0.456 nan 8.190 nan 0.000 0.436 215 L N 5.390 126.646 121.223 0.055 0.000 2.281 215 L HA 0.477 4.817 4.340 0.001 0.000 0.285 215 L C -0.295 176.555 176.870 -0.033 0.000 1.074 215 L CA -0.521 54.336 54.840 0.027 0.000 0.817 215 L CB 1.255 43.371 42.059 0.095 0.000 1.168 215 L HN 0.447 nan 8.230 nan 0.000 0.434 216 L N 5.569 126.729 121.223 -0.104 0.000 2.257 216 L HA 0.392 4.732 4.340 0.001 0.000 0.290 216 L C -0.261 176.510 176.870 -0.166 0.000 1.044 216 L CA -0.064 54.651 54.840 -0.208 0.000 0.810 216 L CB 1.398 43.311 42.059 -0.244 0.000 1.193 216 L HN 0.251 nan 8.230 nan 0.000 0.425 217 V N 6.853 126.667 119.914 -0.167 0.000 2.461 217 V HA 0.423 4.543 4.120 0.001 0.000 0.275 217 V C 0.179 176.201 176.094 -0.119 0.000 1.047 217 V CA -0.346 61.889 62.300 -0.107 0.000 0.955 217 V CB 1.027 32.806 31.823 -0.074 0.000 0.988 217 V HN 0.650 nan 8.190 nan 0.000 0.471 218 L N 3.322 124.494 121.223 -0.085 0.000 2.401 218 L HA 0.533 4.874 4.340 0.001 0.000 0.266 218 L C -0.472 176.373 176.870 -0.042 0.000 0.991 218 L CA -0.704 54.096 54.840 -0.067 0.000 0.818 218 L CB 2.219 44.235 42.059 -0.072 0.000 1.321 218 L HN 0.476 nan 8.230 nan 0.000 0.413 219 D N 1.807 122.189 120.400 -0.030 0.000 2.374 219 D HA 0.242 4.882 4.640 0.001 0.000 0.240 219 D C 0.947 177.232 176.300 -0.026 0.000 1.229 219 D CA 0.056 54.043 54.000 -0.021 0.000 0.895 219 D CB 1.861 42.653 40.800 -0.015 0.000 1.046 219 D HN 0.634 nan 8.370 nan 0.000 0.498 220 A N 4.665 127.470 122.820 -0.024 0.000 2.032 220 A HA -0.217 4.103 4.320 0.001 0.000 0.221 220 A C 2.120 179.670 177.584 -0.058 0.000 1.165 220 A CA 1.200 53.216 52.037 -0.035 0.000 0.645 220 A CB -0.442 18.552 19.000 -0.010 0.000 0.807 220 A HN 0.736 nan 8.150 nan 0.000 0.453 221 M N -0.074 119.498 119.600 -0.047 0.000 2.549 221 M HA -0.087 4.393 4.480 0.001 0.000 0.260 221 M C 1.835 178.105 176.300 -0.050 0.000 1.076 221 M CA 1.522 56.788 55.300 -0.056 0.000 1.090 221 M CB -0.391 32.186 32.600 -0.038 0.000 1.418 221 M HN 0.642 nan 8.290 nan 0.000 0.486 222 T N -2.582 111.948 114.554 -0.040 0.000 3.148 222 T HA 0.343 4.694 4.350 0.001 0.000 0.253 222 T C 1.307 175.984 174.700 -0.038 0.000 1.134 222 T CA 0.197 62.278 62.100 -0.031 0.000 1.051 222 T CB -0.505 68.352 68.868 -0.018 0.000 0.959 222 T HN 0.557 nan 8.240 nan 0.000 0.525 223 G N 2.099 110.866 108.800 -0.054 0.000 2.611 223 G HA2 -0.395 3.565 3.960 0.001 0.000 0.301 223 G HA3 -0.395 3.565 3.960 0.001 0.000 0.301 223 G C 0.705 175.579 174.900 -0.042 0.000 1.233 223 G CA 0.570 45.635 45.100 -0.059 0.000 0.993 223 G HN 0.447 nan 8.290 nan 0.000 0.553 224 Q N 0.125 119.903 119.800 -0.037 0.000 2.364 224 Q HA -0.063 4.277 4.340 0.001 0.000 0.209 224 Q C 2.395 178.386 176.000 -0.016 0.000 0.977 224 Q CA 1.487 57.274 55.803 -0.026 0.000 0.885 224 Q CB -0.055 28.668 28.738 -0.026 0.000 0.941 224 Q HN 0.620 nan 8.270 nan 0.000 0.464 225 E N 1.162 121.354 120.200 -0.015 0.000 2.110 225 E HA -0.168 4.182 4.350 0.001 0.000 0.193 225 E C 1.692 178.294 176.600 0.004 0.000 0.988 225 E CA 1.424 57.822 56.400 -0.004 0.000 0.804 225 E CB -0.209 29.489 29.700 -0.005 0.000 0.745 225 E HN 0.316 nan 8.360 nan 0.000 0.458 226 A N 0.511 123.327 122.820 -0.006 0.000 1.940 226 A HA -0.131 4.189 4.320 0.001 0.000 0.219 226 A C 2.304 179.888 177.584 0.001 0.000 1.176 226 A CA 1.500 53.534 52.037 -0.006 0.000 0.631 226 A CB -0.698 18.286 19.000 -0.027 0.000 0.814 226 A HN 0.364 nan 8.150 nan 0.000 0.446 227 L N -1.084 120.137 121.223 -0.004 0.000 2.141 227 L HA -0.105 4.235 4.340 0.001 0.000 0.209 227 L C 2.815 179.696 176.870 0.019 0.000 1.094 227 L CA 1.271 56.112 54.840 0.002 0.000 0.763 227 L CB -0.429 41.630 42.059 -0.001 0.000 0.908 227 L HN 0.447 nan 8.230 nan 0.000 0.437 228 S N -0.325 115.387 115.700 0.020 0.000 2.368 228 S HA -0.116 4.354 4.470 0.001 0.000 0.224 228 S C 1.982 176.613 174.600 0.051 0.000 1.029 228 S CA 0.978 59.193 58.200 0.026 0.000 0.988 228 S CB -0.027 63.183 63.200 0.017 0.000 0.838 228 S HN 0.167 nan 8.310 nan 0.000 0.462 229 V N 2.178 122.136 119.914 0.074 0.000 2.343 229 V HA -0.146 3.974 4.120 0.001 0.000 0.247 229 V C 2.787 179.011 176.094 0.218 0.000 1.051 229 V CA 1.737 64.130 62.300 0.156 0.000 1.036 229 V CB -1.322 30.598 31.823 0.162 0.000 0.654 229 V HN 0.578 nan 8.190 nan 0.000 0.451 230 A N 0.018 122.909 122.820 0.118 0.000 1.908 230 A HA -0.281 4.039 4.320 0.001 0.000 0.218 230 A C 2.447 180.094 177.584 0.105 0.000 1.181 230 A CA 2.162 54.255 52.037 0.092 0.000 0.627 230 A CB -0.610 18.398 19.000 0.014 0.000 0.818 230 A HN 0.453 nan 8.150 nan 0.000 0.445 231 R N -0.330 120.212 120.500 0.069 0.000 2.073 231 R HA -0.119 4.222 4.340 0.001 0.000 0.234 231 R C 2.369 178.698 176.300 0.049 0.000 1.134 231 R CA 1.583 57.711 56.100 0.046 0.000 0.952 231 R CB -0.538 29.778 30.300 0.027 0.000 0.850 231 R HN 0.439 nan 8.270 nan 0.000 0.433 232 A N 0.450 123.297 122.820 0.045 0.000 1.883 232 A HA -0.182 4.139 4.320 0.001 0.000 0.217 232 A C 2.064 179.623 177.584 -0.041 0.000 1.186 232 A CA 1.425 53.448 52.037 -0.022 0.000 0.624 232 A CB -0.838 18.120 19.000 -0.070 0.000 0.822 232 A HN 0.388 nan 8.150 nan 0.000 0.444 233 F N -0.073 119.876 119.950 -0.001 0.000 2.171 233 F HA -0.130 4.397 4.527 0.001 0.000 0.300 233 F C 2.138 177.939 175.800 0.002 0.000 1.090 233 F CA 1.867 59.870 58.000 0.005 0.000 1.293 233 F CB -0.271 38.733 39.000 0.006 0.000 1.013 233 F HN 0.328 nan 8.300 nan 0.000 0.486 234 D N -0.245 120.259 120.400 0.173 0.000 2.149 234 D HA -0.132 4.509 4.640 0.001 0.000 0.201 234 D C 2.004 178.333 176.300 0.048 0.000 0.972 234 D CA 1.154 55.207 54.000 0.089 0.000 0.835 234 D CB -0.038 40.792 40.800 0.049 0.000 0.966 234 D HN 0.232 nan 8.370 nan 0.000 0.476 235 E N -0.095 120.123 120.200 0.030 0.000 2.107 235 E HA -0.091 4.259 4.350 0.001 0.000 0.191 235 E C 1.869 178.466 176.600 -0.004 0.000 0.982 235 E CA 0.740 57.143 56.400 0.006 0.000 0.809 235 E CB 0.067 29.763 29.700 -0.006 0.000 0.756 235 E HN 0.272 nan 8.360 nan 0.000 0.459 236 K N -0.064 120.327 120.400 -0.016 0.000 2.284 236 K HA 0.056 4.376 4.320 0.001 0.000 0.198 236 K C 1.789 178.391 176.600 0.004 0.000 1.048 236 K CA 0.238 56.507 56.287 -0.031 0.000 0.987 236 K CB 0.827 33.270 32.500 -0.095 0.000 0.800 236 K HN -0.102 nan 8.250 nan 0.000 0.486 237 V N -1.257 118.687 119.914 0.050 0.000 3.058 237 V HA 0.299 4.420 4.120 0.001 0.000 0.233 237 V C 0.286 176.425 176.094 0.075 0.000 1.255 237 V CA 0.199 62.556 62.300 0.095 0.000 1.267 237 V CB 1.021 32.968 31.823 0.206 0.000 1.049 237 V HN 0.305 nan 8.190 nan 0.000 0.486 238 G N 1.815 110.663 108.800 0.081 0.000 3.251 238 G HA2 0.080 4.040 3.960 0.001 0.000 0.680 238 G HA3 0.080 4.040 3.960 0.001 0.000 0.680 238 G C -0.710 174.213 174.900 0.039 0.000 1.129 238 G CA -0.178 44.947 45.100 0.041 0.000 0.994 238 G HN 1.174 nan 8.290 nan 0.000 0.450 239 V N 0.390 120.322 119.914 0.029 0.000 2.850 239 V HA 0.953 5.074 4.120 0.001 0.000 0.315 239 V C 1.009 177.079 176.094 -0.040 0.000 1.064 239 V CA 0.647 62.947 62.300 -0.001 0.000 0.979 239 V CB 1.843 33.659 31.823 -0.011 0.000 1.039 239 V HN 1.656 nan 8.190 nan 0.000 0.452 240 T N -0.743 113.773 114.554 -0.062 0.000 2.964 240 T HA 0.568 4.919 4.350 0.001 0.000 0.249 240 T C 0.755 175.344 174.700 -0.185 0.000 1.000 240 T CA 0.503 62.556 62.100 -0.077 0.000 0.992 240 T CB 0.187 69.035 68.868 -0.035 0.000 1.087 240 T HN 1.604 nan 8.240 nan 0.000 0.489 241 G N 0.606 109.258 108.800 -0.247 0.000 2.677 241 G HA2 0.647 4.608 3.960 0.001 0.000 0.291 241 G HA3 0.647 4.608 3.960 0.001 0.000 0.291 241 G C -1.953 172.731 174.900 -0.361 0.000 1.435 241 G CA -1.060 43.677 45.100 -0.605 0.000 0.826 241 G HN 0.349 nan 8.290 nan 0.000 0.491 242 L N -0.459 120.518 121.223 -0.411 0.000 2.323 242 L HA 0.821 5.162 4.340 0.001 0.000 0.265 242 L C -0.638 176.145 176.870 -0.145 0.000 1.012 242 L CA -1.319 53.382 54.840 -0.232 0.000 0.820 242 L CB 2.392 44.308 42.059 -0.238 0.000 1.334 242 L HN 0.260 nan 8.230 nan 0.000 0.427 243 V N 2.793 122.660 119.914 -0.078 0.000 2.447 243 V HA 0.361 4.482 4.120 0.001 0.000 0.292 243 V C -0.301 175.765 176.094 -0.046 0.000 1.021 243 V CA -0.330 61.968 62.300 -0.002 0.000 0.850 243 V CB 1.926 33.787 31.823 0.064 0.000 1.005 243 V HN 0.481 nan 8.190 nan 0.000 0.426 244 L N 5.388 126.575 121.223 -0.061 0.000 2.257 244 L HA 0.535 4.875 4.340 0.001 0.000 0.290 244 L C 0.761 177.643 176.870 0.019 0.000 1.044 244 L CA -0.104 54.710 54.840 -0.044 0.000 0.810 244 L CB 1.629 43.641 42.059 -0.078 0.000 1.193 244 L HN 0.794 nan 8.230 nan 0.000 0.425 245 T N -0.674 113.887 114.554 0.012 0.000 2.944 245 T HA 0.387 4.738 4.350 0.001 0.000 0.284 245 T C 0.336 175.054 174.700 0.031 0.000 1.010 245 T CA -0.765 61.351 62.100 0.027 0.000 1.025 245 T CB 1.543 70.417 68.868 0.011 0.000 1.079 245 T HN 0.603 nan 8.240 nan 0.000 0.516 246 K N 0.030 120.453 120.400 0.039 0.000 3.129 246 K HA -0.130 4.190 4.320 0.001 0.000 0.273 246 K C 0.898 177.529 176.600 0.051 0.000 1.123 246 K CA 0.389 56.697 56.287 0.036 0.000 0.800 246 K CB -1.809 30.700 32.500 0.014 0.000 1.238 246 K HN 0.615 nan 8.250 nan 0.000 0.492 247 L N 0.744 122.024 121.223 0.094 0.000 2.362 247 L HA -0.162 4.178 4.340 0.001 0.000 0.219 247 L C 1.965 178.923 176.870 0.148 0.000 1.134 247 L CA 1.639 56.574 54.840 0.158 0.000 0.807 247 L CB -0.240 41.968 42.059 0.248 0.000 0.927 247 L HN 0.414 nan 8.230 nan 0.000 0.447 248 D N -0.938 119.523 120.400 0.102 0.000 2.340 248 D HA -0.019 4.621 4.640 0.001 0.000 0.220 248 D C 0.973 177.304 176.300 0.051 0.000 1.039 248 D CA 0.051 54.102 54.000 0.085 0.000 0.866 248 D CB -0.074 40.768 40.800 0.070 0.000 0.913 248 D HN 0.119 nan 8.370 nan 0.000 0.523 249 G N 0.918 109.737 108.800 0.032 0.000 2.406 249 G HA2 0.058 4.019 3.960 0.001 0.000 0.251 249 G HA3 0.058 4.019 3.960 0.001 0.000 0.251 249 G C -0.352 174.541 174.900 -0.013 0.000 1.271 249 G CA -0.406 44.698 45.100 0.006 0.000 0.859 249 G HN -0.041 nan 8.290 nan 0.000 0.540 250 D N 0.976 121.369 120.400 -0.011 0.000 2.429 250 D HA 0.425 5.066 4.640 0.001 0.000 0.253 250 D C 0.349 176.623 176.300 -0.043 0.000 1.294 250 D CA 0.734 54.722 54.000 -0.020 0.000 1.063 250 D CB -0.222 40.572 40.800 -0.010 0.000 1.096 250 D HN 0.607 nan 8.370 nan 0.000 0.516 251 A N 3.294 126.068 122.820 -0.077 0.000 2.586 251 A HA 0.626 4.947 4.320 0.001 0.000 0.290 251 A C -0.471 177.010 177.584 -0.173 0.000 1.086 251 A CA -1.015 50.960 52.037 -0.103 0.000 0.665 251 A CB 0.984 19.927 19.000 -0.095 0.000 1.279 251 A HN 0.408 nan 8.150 nan 0.000 0.423 252 R N -0.166 120.234 120.500 -0.167 0.000 2.694 252 R HA 0.400 4.740 4.340 0.001 0.000 0.268 252 R C 0.939 177.020 176.300 -0.364 0.000 1.061 252 R CA 0.537 56.508 56.100 -0.215 0.000 1.133 252 R CB 0.371 30.587 30.300 -0.140 0.000 1.020 252 R HN 0.829 nan 8.270 nan 0.000 0.475 253 G N 0.435 108.922 108.800 -0.521 0.000 3.959 253 G HA2 0.125 4.085 3.960 0.001 0.000 0.298 253 G HA3 0.125 4.085 3.960 0.001 0.000 0.298 253 G C 0.894 175.648 174.900 -0.244 0.000 1.211 253 G CA -0.148 44.468 45.100 -0.806 0.000 1.001 253 G HN 0.751 nan 8.290 nan 0.000 0.561 254 G N 0.760 109.467 108.800 -0.155 0.000 2.443 254 G HA2 0.079 4.039 3.960 0.001 0.000 0.219 254 G HA3 0.079 4.039 3.960 0.001 0.000 0.219 254 G C 1.831 176.712 174.900 -0.032 0.000 1.131 254 G CA 1.301 46.360 45.100 -0.067 0.000 0.775 254 G HN 0.537 nan 8.290 nan 0.000 0.547 255 A N 1.457 124.250 122.820 -0.046 0.000 1.858 255 A HA 0.219 4.540 4.320 0.001 0.000 0.216 255 A C 2.829 180.416 177.584 0.005 0.000 1.190 255 A CA 2.351 54.371 52.037 -0.027 0.000 0.617 255 A CB -0.933 18.041 19.000 -0.044 0.000 0.827 255 A HN 0.775 nan 8.150 nan 0.000 0.443 256 A N -0.619 122.242 122.820 0.068 0.000 1.972 256 A HA 0.010 4.331 4.320 0.001 0.000 0.219 256 A C 2.054 179.723 177.584 0.141 0.000 1.169 256 A CA 1.464 53.571 52.037 0.117 0.000 0.635 256 A CB -0.542 18.675 19.000 0.362 0.000 0.810 256 A HN 0.475 nan 8.150 nan 0.000 0.446 257 L N -0.558 120.758 121.223 0.155 0.000 2.478 257 L HA -0.003 4.338 4.340 0.001 0.000 0.223 257 L C 1.880 178.793 176.870 0.072 0.000 1.140 257 L CA 0.898 55.812 54.840 0.124 0.000 0.842 257 L CB 0.097 42.213 42.059 0.095 0.000 0.953 257 L HN 0.299 nan 8.230 nan 0.000 0.452 258 S N -0.899 114.825 115.700 0.040 0.000 2.520 258 S HA 0.210 4.680 4.470 0.001 0.000 0.219 258 S C 2.095 176.722 174.600 0.045 0.000 1.028 258 S CA 0.350 58.565 58.200 0.025 0.000 0.921 258 S CB 0.539 63.731 63.200 -0.014 0.000 0.844 258 S HN 0.347 nan 8.310 nan 0.000 0.495 259 A N 3.132 125.961 122.820 0.014 0.000 1.869 259 A HA -0.241 4.080 4.320 0.001 0.000 0.218 259 A C 2.069 179.652 177.584 -0.001 0.000 1.203 259 A CA 2.056 54.081 52.037 -0.019 0.000 0.638 259 A CB -0.702 18.246 19.000 -0.087 0.000 0.831 259 A HN 0.432 nan 8.150 nan 0.000 0.450 260 R N -1.577 118.933 120.500 0.016 0.000 2.080 260 R HA -0.240 4.100 4.340 0.001 0.000 0.236 260 R C 2.241 178.572 176.300 0.053 0.000 1.137 260 R CA 2.233 58.344 56.100 0.018 0.000 0.943 260 R CB -0.561 29.761 30.300 0.036 0.000 0.846 260 R HN 0.819 nan 8.270 nan 0.000 0.431 261 H N -0.580 118.491 119.070 0.001 0.000 2.293 261 H HA -0.083 4.474 4.556 0.001 0.000 0.300 261 H C 1.940 177.267 175.328 -0.002 0.000 1.082 261 H CA 2.252 58.304 56.048 0.007 0.000 1.308 261 H CB 0.086 29.863 29.762 0.026 0.000 1.375 261 H HN 0.049 nan 8.280 nan 0.000 0.495 262 V N -0.283 119.772 119.914 0.234 0.000 2.323 262 V HA -0.191 3.930 4.120 0.001 0.000 0.244 262 V C 2.589 178.713 176.094 0.050 0.000 1.041 262 V CA 2.054 64.441 62.300 0.144 0.000 1.025 262 V CB -0.516 31.362 31.823 0.091 0.000 0.656 262 V HN 0.809 nan 8.190 nan 0.000 0.451 263 T N -3.202 111.363 114.554 0.018 0.000 3.040 263 T HA 0.281 4.632 4.350 0.001 0.000 0.252 263 T C 1.652 176.331 174.700 -0.034 0.000 1.064 263 T CA 1.147 63.238 62.100 -0.014 0.000 1.110 263 T CB 0.665 69.513 68.868 -0.033 0.000 0.921 263 T HN 1.007 nan 8.240 nan 0.000 0.480 264 G N 1.813 110.588 108.800 -0.040 0.000 2.148 264 G HA2 -0.202 3.759 3.960 0.001 0.000 0.254 264 G HA3 -0.202 3.759 3.960 0.001 0.000 0.254 264 G C -0.075 174.779 174.900 -0.076 0.000 0.981 264 G CA 0.237 45.304 45.100 -0.055 0.000 0.670 264 G HN 0.650 nan 8.290 nan 0.000 0.528 265 K N 0.939 121.278 120.400 -0.100 0.000 2.138 265 K HA 0.536 4.856 4.320 0.001 0.000 0.263 265 K C -2.312 174.158 176.600 -0.216 0.000 0.965 265 K CA -2.037 54.153 56.287 -0.160 0.000 0.868 265 K CB 2.264 34.663 32.500 -0.169 0.000 1.083 265 K HN 0.169 nan 8.250 nan 0.000 0.443 266 P HA 0.326 nan 4.420 nan 0.000 0.277 266 P C -0.311 176.690 177.300 -0.498 0.000 1.240 266 P CA -0.410 62.491 63.100 -0.331 0.000 0.798 266 P CB 0.726 32.251 31.700 -0.291 0.000 0.979 267 I N 3.143 123.475 120.570 -0.395 0.000 2.291 267 I HA 0.102 4.272 4.170 0.001 0.000 0.290 267 I C 1.068 177.014 176.117 -0.285 0.000 1.050 267 I CA -0.502 60.509 61.300 -0.482 0.000 1.245 267 I CB 0.300 37.766 38.000 -0.891 0.000 1.405 267 I HN 0.285 nan 8.210 nan 0.000 0.478 268 Y N 5.657 125.819 120.300 -0.231 0.000 2.153 268 Y HA 0.089 4.639 4.550 0.001 0.000 0.289 268 Y C 0.688 176.219 175.900 -0.614 0.000 1.127 268 Y CA 0.765 58.638 58.100 -0.378 0.000 1.131 268 Y CB -0.263 38.044 38.460 -0.255 0.000 0.995 268 Y HN 0.286 nan 8.280 nan 0.000 0.505 269 F N -1.786 118.200 119.950 0.061 0.000 2.611 269 F HA 0.716 5.244 4.527 0.001 0.000 0.324 269 F C -0.246 175.559 175.800 0.009 0.000 1.061 269 F CA -1.575 56.419 58.000 -0.009 0.000 0.954 269 F CB 1.430 40.390 39.000 -0.066 0.000 1.301 269 F HN -0.253 nan 8.300 nan 0.000 0.482 270 A N 0.242 123.218 122.820 0.259 0.000 2.422 270 A HA 0.719 5.040 4.320 0.001 0.000 0.302 270 A C -0.607 177.068 177.584 0.152 0.000 1.041 270 A CA -0.616 51.547 52.037 0.210 0.000 0.708 270 A CB 1.088 20.288 19.000 0.334 0.000 1.257 270 A HN 0.971 nan 8.150 nan 0.000 0.414 271 G N 0.469 109.336 108.800 0.111 0.000 2.327 271 G HA2 0.507 4.468 3.960 0.001 0.000 0.302 271 G HA3 0.507 4.468 3.960 0.001 0.000 0.302 271 G C 0.489 175.443 174.900 0.090 0.000 1.113 271 G CA 0.296 45.443 45.100 0.080 0.000 0.921 271 G HN 1.719 nan 8.290 nan 0.000 0.425 272 V N 0.117 120.082 119.914 0.084 0.000 3.528 272 V HA 0.549 4.670 4.120 0.001 0.000 0.294 272 V C 0.641 176.773 176.094 0.065 0.000 1.404 272 V CA 0.685 63.035 62.300 0.085 0.000 1.065 272 V CB -0.850 31.027 31.823 0.090 0.000 0.904 272 V HN 1.082 nan 8.190 nan 0.000 0.435 273 S N -1.540 114.191 115.700 0.053 0.000 2.643 273 S HA 0.311 4.782 4.470 0.001 0.000 0.266 273 S C 0.360 174.979 174.600 0.033 0.000 1.130 273 S CA 0.245 58.470 58.200 0.042 0.000 0.817 273 S CB 1.392 64.617 63.200 0.041 0.000 1.107 273 S HN 0.162 nan 8.310 nan 0.000 0.471 274 E N 1.220 121.436 120.200 0.027 0.000 2.230 274 E HA 0.011 4.362 4.350 0.001 0.000 0.192 274 E C 0.489 177.102 176.600 0.021 0.000 0.987 274 E CA 0.464 56.877 56.400 0.021 0.000 0.841 274 E CB -0.105 29.606 29.700 0.017 0.000 0.783 274 E HN 0.696 nan 8.360 nan 0.000 0.481 275 K N 1.001 121.415 120.400 0.024 0.000 2.469 275 K HA 0.034 4.355 4.320 0.001 0.000 0.274 275 K C -2.012 174.603 176.600 0.026 0.000 0.983 275 K CA -0.867 55.435 56.287 0.024 0.000 0.974 275 K CB 0.571 33.087 32.500 0.026 0.000 0.913 275 K HN -0.264 nan 8.250 nan 0.000 0.493 276 P HA -0.233 nan 4.420 nan 0.000 0.217 276 P C 0.337 177.658 177.300 0.035 0.000 1.148 276 P CA 1.509 64.624 63.100 0.025 0.000 0.834 276 P CB 0.010 31.724 31.700 0.022 0.000 0.783 277 E N -0.871 119.354 120.200 0.041 0.000 2.403 277 E HA 0.122 4.472 4.350 0.001 0.000 0.188 277 E C 1.150 177.787 176.600 0.062 0.000 1.056 277 E CA 0.203 56.638 56.400 0.058 0.000 0.892 277 E CB -0.764 28.970 29.700 0.055 0.000 1.049 277 E HN 0.158 nan 8.360 nan 0.000 0.465 278 G N 1.480 110.309 108.800 0.049 0.000 3.424 278 G HA2 0.303 4.263 3.960 0.001 0.000 0.263 278 G HA3 0.303 4.263 3.960 0.001 0.000 0.263 278 G C -0.317 174.615 174.900 0.053 0.000 1.310 278 G CA -0.216 44.915 45.100 0.051 0.000 1.089 278 G HN 0.185 nan 8.290 nan 0.000 0.534 279 L N 0.306 121.561 121.223 0.054 0.000 2.436 279 L HA 0.653 4.993 4.340 0.001 0.000 0.268 279 L C -0.823 176.083 176.870 0.060 0.000 0.974 279 L CA -0.710 54.153 54.840 0.037 0.000 0.826 279 L CB 2.001 44.033 42.059 -0.045 0.000 1.291 279 L HN 0.395 nan 8.230 nan 0.000 0.406 280 E N 3.812 124.071 120.200 0.098 0.000 2.413 280 E HA 0.615 4.965 4.350 0.001 0.000 0.277 280 E C -2.905 173.732 176.600 0.062 0.000 0.958 280 E CA -2.417 54.044 56.400 0.101 0.000 0.779 280 E CB 1.427 31.211 29.700 0.140 0.000 1.278 280 E HN 0.198 nan 8.360 nan 0.000 0.456 281 P HA -0.004 nan 4.420 nan 0.000 0.268 281 P C -1.134 175.816 177.300 -0.583 0.000 1.208 281 P CA -0.090 62.694 63.100 -0.528 0.000 0.777 281 P CB 0.218 31.537 31.700 -0.636 0.000 0.875 282 F N 3.113 122.687 119.950 -0.627 0.000 2.424 282 F HA 0.311 4.839 4.527 0.001 0.000 0.356 282 F C -0.577 174.918 175.800 -0.509 0.000 1.110 282 F CA -0.126 57.626 58.000 -0.413 0.000 1.161 282 F CB 0.128 38.991 39.000 -0.228 0.000 1.115 282 F HN 0.211 nan 8.300 nan 0.000 0.507 283 Y N 8.192 128.157 120.300 -0.557 0.000 2.587 283 Y HA 0.324 4.875 4.550 0.001 0.000 0.328 283 Y C -1.764 173.794 175.900 -0.571 0.000 0.980 283 Y CA -2.558 55.302 58.100 -0.399 0.000 1.272 283 Y CB 0.667 38.980 38.460 -0.245 0.000 1.094 283 Y HN 0.485 nan 8.280 nan 0.000 0.503 284 P HA -0.242 nan 4.420 nan 0.000 0.214 284 P C 1.518 178.704 177.300 -0.190 0.000 1.163 284 P CA 1.652 64.620 63.100 -0.220 0.000 0.889 284 P CB 0.506 32.198 31.700 -0.013 0.000 0.790 285 E N -0.318 119.807 120.200 -0.124 0.000 2.077 285 E HA -0.215 4.136 4.350 0.001 0.000 0.193 285 E C 2.119 178.661 176.600 -0.096 0.000 0.989 285 E CA 1.159 57.477 56.400 -0.138 0.000 0.800 285 E CB -0.151 29.517 29.700 -0.052 0.000 0.746 285 E HN 0.036 nan 8.360 nan 0.000 0.452 286 R N 0.053 120.503 120.500 -0.084 0.000 2.081 286 R HA -0.136 4.204 4.340 0.001 0.000 0.235 286 R C 2.513 178.745 176.300 -0.114 0.000 1.131 286 R CA 1.051 57.104 56.100 -0.079 0.000 0.960 286 R CB -0.696 29.546 30.300 -0.096 0.000 0.856 286 R HN 0.269 nan 8.270 nan 0.000 0.436 287 L N 1.217 122.313 121.223 -0.212 0.000 2.093 287 L HA -0.016 4.325 4.340 0.001 0.000 0.208 287 L C 2.329 179.067 176.870 -0.220 0.000 1.085 287 L CA 1.721 56.390 54.840 -0.284 0.000 0.755 287 L CB -0.747 41.043 42.059 -0.448 0.000 0.904 287 L HN 0.131 nan 8.230 nan 0.000 0.435 288 A N -0.503 122.210 122.820 -0.179 0.000 1.908 288 A HA -0.111 4.209 4.320 0.001 0.000 0.218 288 A C 2.341 179.939 177.584 0.023 0.000 1.181 288 A CA 1.682 53.642 52.037 -0.129 0.000 0.627 288 A CB -1.560 17.259 19.000 -0.302 0.000 0.818 288 A HN 0.520 nan 8.150 nan 0.000 0.445 289 G N -0.866 107.998 108.800 0.107 0.000 2.402 289 G HA2 -0.191 3.769 3.960 0.001 0.000 0.216 289 G HA3 -0.191 3.769 3.960 0.001 0.000 0.216 289 G C 1.683 176.620 174.900 0.061 0.000 1.162 289 G CA 0.689 45.904 45.100 0.192 0.000 0.777 289 G HN 0.389 nan 8.290 nan 0.000 0.539 290 R N 0.267 120.762 120.500 -0.008 0.000 2.081 290 R HA 0.037 4.377 4.340 0.001 0.000 0.235 290 R C 2.566 178.853 176.300 -0.021 0.000 1.131 290 R CA 0.754 56.837 56.100 -0.029 0.000 0.960 290 R CB -0.850 29.407 30.300 -0.073 0.000 0.856 290 R HN 0.450 nan 8.270 nan 0.000 0.436 291 I N 0.843 121.385 120.570 -0.046 0.000 2.361 291 I HA -0.229 3.942 4.170 0.001 0.000 0.251 291 I C 1.663 177.803 176.117 0.039 0.000 1.133 291 I CA 1.094 62.388 61.300 -0.010 0.000 1.413 291 I CB -0.093 37.886 38.000 -0.035 0.000 1.073 291 I HN 0.024 nan 8.210 nan 0.000 0.424 292 L N 0.448 121.705 121.223 0.057 0.000 2.629 292 L HA 0.272 4.613 4.340 0.001 0.000 0.230 292 L C 1.182 178.079 176.870 0.044 0.000 1.151 292 L CA 0.045 54.927 54.840 0.070 0.000 0.924 292 L CB -0.372 41.756 42.059 0.115 0.000 1.137 292 L HN 0.393 nan 8.230 nan 0.000 0.457 293 G N 0.571 109.390 108.800 0.032 0.000 2.295 293 G HA2 -0.321 3.640 3.960 0.001 0.000 0.287 293 G HA3 -0.321 3.640 3.960 0.001 0.000 0.287 293 G C 0.594 175.499 174.900 0.008 0.000 1.055 293 G CA 0.439 45.550 45.100 0.019 0.000 0.922 293 G HN 0.400 nan 8.290 nan 0.000 0.503 294 M N -0.135 119.470 119.600 0.008 0.000 2.441 294 M HA 0.343 4.823 4.480 0.001 0.000 0.244 294 M C 1.659 177.950 176.300 -0.013 0.000 1.122 294 M CA 1.051 56.345 55.300 -0.011 0.000 1.041 294 M CB 0.353 32.941 32.600 -0.019 0.000 1.438 294 M HN 1.391 nan 8.290 nan 0.000 0.484 295 G N 0.000 108.796 108.800 -0.006 0.000 5.446 295 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 295 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 295 G CA 0.000 45.094 45.100 -0.011 0.000 0.502 295 G HN 0.000 nan 8.290 nan 0.000 0.925