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 3bcx_1_B DATA FIRST_RESID 2 DATA SEQUENCE SQEELRQQIA ELVAQYAETA MAPKPFEAGK SVVPPSGKVI GTKELQLMVE DATA SEQUENCE ASLDGWLTTG RFNDAFEKKL GEYLGVPYVL TTTSGSSANL LALTALTSPK DATA SEQUENCE LGVRALKPGD EVITVAAGFP TTVNPTIQNG LIPVFVDVDI PTYNVNASLI DATA SEQUENCE EAAVSDKTKA IMIAHTLGNL FDLAEVRRVA DKYNLWLIED CCDALGSTYD DATA SEQUENCE GKMAGTFGDI GTVSFYPAHH ITMGEGGAVF TQSAELKSII ESFRDWGRDC DATA SEQUENCE XXXXXXXXXX XXXXXXXLGS LPFGYDHKYT YSHLGYNLKI TDMQAACGLA DATA SEQUENCE QLERIEEFVE KRKANFKYLK DALQSCADFI ELPEATENSD PSWFGFPITL DATA SEQUENCE KEDSGVSRID LVKFLDEAKV GTRLLFAGNL TRQPYFHDVK YRVVGELTNT DATA SEQUENCE DRIMNQTFWI GIYPGLTHDH LDYVVSKFEE FFGLNF 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.606 174.600 0.010 0.000 1.055 2 S CA 0.000 58.205 58.200 0.008 0.000 1.107 2 S CB 0.000 63.205 63.200 0.008 0.000 0.593 3 Q N 1.183 120.990 119.800 0.011 0.000 2.167 3 Q HA -0.011 4.330 4.340 0.001 0.000 0.202 3 Q C 1.729 177.738 176.000 0.015 0.000 0.970 3 Q CA 1.747 57.558 55.803 0.014 0.000 0.855 3 Q CB -0.346 28.401 28.738 0.016 0.000 0.911 3 Q HN 0.649 nan 8.270 nan 0.000 0.438 4 E N 1.261 121.468 120.200 0.012 0.000 2.204 4 E HA -0.150 4.200 4.350 0.001 0.000 0.194 4 E C 1.396 178.003 176.600 0.013 0.000 0.989 4 E CA 1.113 57.521 56.400 0.012 0.000 0.824 4 E CB 0.155 29.860 29.700 0.008 0.000 0.756 4 E HN 0.409 nan 8.360 nan 0.000 0.477 5 E N 0.005 120.212 120.200 0.012 0.000 2.021 5 E HA -0.070 4.281 4.350 0.001 0.000 0.189 5 E C 2.202 178.810 176.600 0.013 0.000 0.980 5 E CA 0.988 57.395 56.400 0.011 0.000 0.803 5 E CB -0.226 29.480 29.700 0.010 0.000 0.766 5 E HN 0.242 nan 8.360 nan 0.000 0.449 6 L N 0.905 122.136 121.223 0.013 0.000 2.137 6 L HA -0.266 4.075 4.340 0.001 0.000 0.213 6 L C 2.639 179.518 176.870 0.016 0.000 1.085 6 L CA 1.299 56.147 54.840 0.014 0.000 0.760 6 L CB -0.428 41.639 42.059 0.014 0.000 0.893 6 L HN 0.117 nan 8.230 nan 0.000 0.434 7 R N -0.462 120.049 120.500 0.019 0.000 2.062 7 R HA -0.150 4.190 4.340 0.001 0.000 0.231 7 R C 2.321 178.634 176.300 0.023 0.000 1.136 7 R CA 1.375 57.489 56.100 0.025 0.000 0.948 7 R CB -0.256 30.063 30.300 0.031 0.000 0.845 7 R HN 0.439 nan 8.270 nan 0.000 0.430 8 Q N 0.077 119.889 119.800 0.021 0.000 2.226 8 Q HA -0.209 4.131 4.340 0.001 0.000 0.204 8 Q C 2.059 178.070 176.000 0.018 0.000 0.975 8 Q CA 1.199 57.014 55.803 0.020 0.000 0.866 8 Q CB 0.066 28.814 28.738 0.017 0.000 0.915 8 Q HN 0.392 nan 8.270 nan 0.000 0.440 9 Q N 0.397 120.206 119.800 0.016 0.000 2.137 9 Q HA -0.089 4.252 4.340 0.001 0.000 0.198 9 Q C 1.905 177.914 176.000 0.014 0.000 0.960 9 Q CA 0.678 56.490 55.803 0.014 0.000 0.847 9 Q CB 0.188 28.934 28.738 0.012 0.000 0.915 9 Q HN 0.406 nan 8.270 nan 0.000 0.448 10 I N 0.429 121.007 120.570 0.013 0.000 2.353 10 I HA -0.195 3.975 4.170 0.001 0.000 0.248 10 I C 2.391 178.514 176.117 0.010 0.000 1.119 10 I CA 0.763 62.068 61.300 0.007 0.000 1.417 10 I CB -0.377 37.625 38.000 0.004 0.000 1.078 10 I HN 0.215 nan 8.210 nan 0.000 0.421 11 A N 0.758 123.588 122.820 0.016 0.000 1.917 11 A HA -0.223 4.098 4.320 0.001 0.000 0.219 11 A C 2.211 179.810 177.584 0.024 0.000 1.182 11 A CA 1.678 53.727 52.037 0.020 0.000 0.633 11 A CB -0.409 18.606 19.000 0.025 0.000 0.819 11 A HN 0.366 nan 8.150 nan 0.000 0.448 12 E N 0.123 120.337 120.200 0.024 0.000 2.047 12 E HA -0.104 4.247 4.350 0.001 0.000 0.191 12 E C 2.084 178.706 176.600 0.037 0.000 0.987 12 E CA 0.892 57.309 56.400 0.028 0.000 0.799 12 E CB -0.574 29.140 29.700 0.023 0.000 0.752 12 E HN 0.678 nan 8.360 nan 0.000 0.449 13 L N 1.161 122.405 121.223 0.034 0.000 2.191 13 L HA -0.131 4.209 4.340 0.001 0.000 0.212 13 L C 2.601 179.514 176.870 0.071 0.000 1.103 13 L CA 1.079 55.947 54.840 0.046 0.000 0.769 13 L CB -0.532 41.543 42.059 0.028 0.000 0.908 13 L HN 0.084 nan 8.230 nan 0.000 0.438 14 V N -3.445 116.499 119.914 0.050 0.000 2.878 14 V HA 0.103 4.223 4.120 0.001 0.000 0.250 14 V C 2.443 178.605 176.094 0.114 0.000 1.075 14 V CA 1.105 63.446 62.300 0.069 0.000 1.096 14 V CB -0.319 31.506 31.823 0.003 0.000 0.724 14 V HN 0.219 nan 8.190 nan 0.000 0.467 15 A N 1.363 124.227 122.820 0.074 0.000 2.019 15 A HA -0.211 4.110 4.320 0.001 0.000 0.219 15 A C 2.288 179.913 177.584 0.069 0.000 1.164 15 A CA 1.961 54.036 52.037 0.063 0.000 0.644 15 A CB -0.477 18.548 19.000 0.041 0.000 0.805 15 A HN 0.879 nan 8.150 nan 0.000 0.449 16 Q N -2.755 117.093 119.800 0.079 0.000 2.402 16 Q HA 0.001 4.341 4.340 0.001 0.000 0.206 16 Q C 1.775 177.818 176.000 0.071 0.000 0.919 16 Q CA 0.787 56.626 55.803 0.059 0.000 0.923 16 Q CB -0.474 28.293 28.738 0.048 0.000 1.048 16 Q HN 0.667 nan 8.270 nan 0.000 0.515 17 Y N 1.131 121.434 120.300 0.004 0.000 2.220 17 Y HA 0.064 4.615 4.550 0.001 0.000 0.291 17 Y C 2.364 178.267 175.900 0.004 0.000 1.129 17 Y CA 1.472 59.574 58.100 0.003 0.000 1.161 17 Y CB -0.222 38.239 38.460 0.002 0.000 0.997 17 Y HN 0.228 nan 8.280 nan 0.000 0.522 18 A N 0.430 123.361 122.820 0.184 0.000 1.930 18 A HA -0.173 4.147 4.320 0.001 0.000 0.217 18 A C 1.984 179.567 177.584 -0.002 0.000 1.175 18 A CA 1.757 53.856 52.037 0.104 0.000 0.627 18 A CB -0.683 18.391 19.000 0.123 0.000 0.815 18 A HN 0.628 nan 8.150 nan 0.000 0.443 19 E N -0.898 119.301 120.200 -0.002 0.000 2.265 19 E HA -0.117 4.233 4.350 0.001 0.000 0.196 19 E C 1.736 178.305 176.600 -0.052 0.000 0.996 19 E CA 1.488 57.879 56.400 -0.016 0.000 0.832 19 E CB -0.119 29.578 29.700 -0.005 0.000 0.756 19 E HN 0.629 nan 8.360 nan 0.000 0.491 20 T N -0.029 114.459 114.554 -0.110 0.000 2.925 20 T HA 0.085 4.436 4.350 0.001 0.000 0.245 20 T C 1.931 176.528 174.700 -0.172 0.000 1.025 20 T CA 0.705 62.719 62.100 -0.143 0.000 1.149 20 T CB -0.029 68.725 68.868 -0.190 0.000 0.866 20 T HN 0.194 nan 8.240 nan 0.000 0.437 21 A N 1.521 124.176 122.820 -0.276 0.000 1.841 21 A HA 0.072 4.393 4.320 0.001 0.000 0.214 21 A C 1.670 179.207 177.584 -0.079 0.000 1.195 21 A CA 1.317 53.221 52.037 -0.222 0.000 0.611 21 A CB -0.572 18.230 19.000 -0.329 0.000 0.835 21 A HN 0.358 nan 8.150 nan 0.000 0.443 22 M N 0.716 120.293 119.600 -0.038 0.000 3.131 22 M HA 0.348 4.829 4.480 0.001 0.000 0.213 22 M C 0.225 176.529 176.300 0.007 0.000 1.307 22 M CA -0.036 55.268 55.300 0.007 0.000 1.263 22 M CB -0.409 32.212 32.600 0.037 0.000 1.419 22 M HN 0.328 nan 8.290 nan 0.000 0.446 23 A N 0.529 123.343 122.820 -0.010 0.000 2.252 23 A HA 0.696 5.016 4.320 0.001 0.000 0.309 23 A C -2.108 175.482 177.584 0.010 0.000 1.285 23 A CA -1.355 50.681 52.037 -0.003 0.000 0.900 23 A CB -0.290 18.699 19.000 -0.019 0.000 1.157 23 A HN 0.242 nan 8.150 nan 0.000 0.536 24 P HA 0.097 nan 4.420 nan 0.000 0.265 24 P C -0.139 177.183 177.300 0.037 0.000 1.222 24 P CA 0.193 63.318 63.100 0.041 0.000 0.767 24 P CB 0.424 32.153 31.700 0.048 0.000 0.801 25 K N 4.224 124.649 120.400 0.043 0.000 2.202 25 K HA 0.279 4.600 4.320 0.001 0.000 0.264 25 K C -2.016 174.610 176.600 0.043 0.000 1.010 25 K CA -1.510 54.794 56.287 0.028 0.000 0.940 25 K CB 0.105 32.615 32.500 0.016 0.000 0.983 25 K HN 0.302 nan 8.250 nan 0.000 0.475 26 P HA 0.013 nan 4.420 nan 0.000 0.271 26 P C -0.704 176.592 177.300 -0.007 0.000 1.218 26 P CA -0.294 62.811 63.100 0.009 0.000 0.780 26 P CB 0.262 31.952 31.700 -0.016 0.000 0.901 27 F N 2.327 122.161 119.950 -0.193 0.000 2.563 27 F HA 0.125 4.653 4.527 0.001 0.000 0.363 27 F C 0.609 176.281 175.800 -0.213 0.000 1.123 27 F CA 0.046 57.860 58.000 -0.310 0.000 1.307 27 F CB 0.367 39.032 39.000 -0.557 0.000 1.115 27 F HN 0.326 nan 8.300 nan 0.000 0.592 28 E N 5.340 124.830 120.200 -1.184 0.000 2.502 28 E HA 0.490 4.841 4.350 0.001 0.000 0.261 28 E C -1.064 174.845 176.600 -1.153 0.000 0.974 28 E CA -0.906 54.957 56.400 -0.896 0.000 0.795 28 E CB 0.862 30.294 29.700 -0.448 0.000 1.385 28 E HN 0.926 nan 8.360 nan 0.000 0.400 29 A N 2.629 124.730 122.820 -1.198 0.000 2.591 29 A HA 0.306 4.626 4.320 0.001 0.000 0.244 29 A C 1.416 178.691 177.584 -0.515 0.000 1.031 29 A CA 1.424 52.950 52.037 -0.852 0.000 0.767 29 A CB -0.507 18.349 19.000 -0.240 0.000 0.942 29 A HN 1.251 nan 8.150 nan 0.000 0.514 30 G N 1.729 110.227 108.800 -0.504 0.000 2.299 30 G HA2 -0.321 3.639 3.960 0.001 0.000 0.237 30 G HA3 -0.321 3.639 3.960 0.001 0.000 0.237 30 G C 1.132 175.913 174.900 -0.197 0.000 1.027 30 G CA 1.060 46.040 45.100 -0.200 0.000 0.619 30 G HN 0.993 nan 8.290 nan 0.000 0.513 31 K N 0.401 120.630 120.400 -0.285 0.000 2.225 31 K HA 0.378 4.698 4.320 0.001 0.000 0.204 31 K C 1.196 177.688 176.600 -0.181 0.000 1.047 31 K CA 0.804 56.971 56.287 -0.201 0.000 0.970 31 K CB 0.181 32.563 32.500 -0.196 0.000 0.939 31 K HN 0.318 nan 8.250 nan 0.000 0.472 32 S N 1.698 117.232 115.700 -0.276 0.000 2.572 32 S HA 0.116 4.586 4.470 0.001 0.000 0.279 32 S C -0.076 174.539 174.600 0.026 0.000 1.341 32 S CA -0.550 57.583 58.200 -0.112 0.000 1.043 32 S CB 1.281 64.402 63.200 -0.132 0.000 0.887 32 S HN 0.251 nan 8.310 nan 0.000 0.516 33 V N 0.573 120.562 119.914 0.124 0.000 2.713 33 V HA 0.725 4.845 4.120 0.001 0.000 0.307 33 V C -0.334 175.898 176.094 0.229 0.000 1.052 33 V CA -0.772 61.618 62.300 0.150 0.000 0.967 33 V CB 1.518 33.397 31.823 0.093 0.000 1.019 33 V HN 0.508 nan 8.190 nan 0.000 0.459 34 V N 4.580 124.623 119.914 0.216 0.000 2.235 34 V HA 0.368 4.488 4.120 0.001 0.000 0.266 34 V C -2.047 174.133 176.094 0.144 0.000 1.055 34 V CA -1.267 61.140 62.300 0.178 0.000 0.844 34 V CB 0.572 32.535 31.823 0.233 0.000 1.097 34 V HN 0.901 nan 8.190 nan 0.000 0.453 35 P HA 0.192 nan 4.420 nan 0.000 0.272 35 P C -2.018 175.386 177.300 0.174 0.000 1.230 35 P CA -1.265 61.911 63.100 0.128 0.000 0.788 35 P CB 0.922 32.683 31.700 0.102 0.000 0.949 36 P HA -0.065 nan 4.420 nan 0.000 0.222 36 P C 0.356 177.757 177.300 0.168 0.000 1.153 36 P CA 1.089 64.221 63.100 0.052 0.000 0.798 36 P CB 0.280 31.790 31.700 -0.317 0.000 0.796 37 S N -2.656 112.967 115.700 -0.128 0.000 2.611 37 S HA 0.739 5.210 4.470 0.001 0.000 0.268 37 S C -0.556 173.421 174.600 -1.038 0.000 1.156 37 S CA -0.122 57.712 58.200 -0.609 0.000 0.817 37 S CB 1.674 64.730 63.200 -0.241 0.000 1.122 37 S HN 0.377 nan 8.310 nan 0.000 0.466 38 G N 0.244 108.249 108.800 -1.324 0.000 2.322 38 G HA2 0.523 4.483 3.960 0.001 0.000 0.295 38 G HA3 0.523 4.483 3.960 0.001 0.000 0.295 38 G C -2.083 172.517 174.900 -0.499 0.000 1.369 38 G CA -0.559 44.064 45.100 -0.794 0.000 0.821 38 G HN 0.983 nan 8.290 nan 0.000 0.536 39 K N -1.225 119.047 120.400 -0.213 0.000 2.166 39 K HA 0.811 5.132 4.320 0.001 0.000 0.245 39 K C -1.313 175.268 176.600 -0.031 0.000 0.967 39 K CA -0.895 55.322 56.287 -0.118 0.000 0.863 39 K CB 2.591 35.047 32.500 -0.072 0.000 1.107 39 K HN 0.401 nan 8.250 nan 0.000 0.436 40 V N 3.962 123.856 119.914 -0.034 0.000 2.385 40 V HA 0.297 4.417 4.120 0.001 0.000 0.277 40 V C -0.300 175.898 176.094 0.172 0.000 1.012 40 V CA -0.666 61.669 62.300 0.058 0.000 0.832 40 V CB 0.424 32.251 31.823 0.007 0.000 1.028 40 V HN 0.811 nan 8.190 nan 0.000 0.436 41 I N 1.196 121.836 120.570 0.116 0.000 2.797 41 I HA 1.083 5.253 4.170 0.001 0.000 0.307 41 I C 0.383 176.553 176.117 0.089 0.000 1.033 41 I CA -0.390 60.976 61.300 0.109 0.000 1.071 41 I CB 2.420 40.459 38.000 0.065 0.000 1.255 41 I HN 0.506 nan 8.210 nan 0.000 0.445 42 G N 1.950 110.795 108.800 0.075 0.000 3.265 42 G HA2 0.284 4.245 3.960 0.001 0.000 0.171 42 G HA3 0.284 4.245 3.960 0.001 0.000 0.171 42 G C 0.231 175.162 174.900 0.053 0.000 1.110 42 G CA 0.377 45.514 45.100 0.062 0.000 0.855 42 G HN 0.558 nan 8.290 nan 0.000 0.658 43 T N 0.406 114.988 114.554 0.045 0.000 2.770 43 T HA -0.037 4.313 4.350 0.001 0.000 0.263 43 T C 2.306 177.022 174.700 0.027 0.000 1.039 43 T CA 1.677 63.802 62.100 0.043 0.000 1.142 43 T CB -0.195 68.695 68.868 0.037 0.000 0.868 43 T HN 0.259 nan 8.240 nan 0.000 0.435 44 K N 1.358 121.770 120.400 0.020 0.000 2.032 44 K HA -0.130 4.191 4.320 0.001 0.000 0.209 44 K C 2.156 178.752 176.600 -0.005 0.000 1.048 44 K CA 1.512 57.805 56.287 0.009 0.000 0.927 44 K CB -0.366 32.138 32.500 0.005 0.000 0.712 44 K HN 0.212 nan 8.250 nan 0.000 0.441 45 E N 0.009 120.208 120.200 -0.002 0.000 2.033 45 E HA -0.172 4.178 4.350 0.001 0.000 0.199 45 E C 1.913 178.487 176.600 -0.043 0.000 1.011 45 E CA 1.542 57.928 56.400 -0.022 0.000 0.815 45 E CB -0.372 29.329 29.700 0.002 0.000 0.755 45 E HN 0.122 nan 8.360 nan 0.000 0.451 46 L N 0.918 122.133 121.223 -0.014 0.000 2.131 46 L HA -0.202 4.138 4.340 0.001 0.000 0.210 46 L C 2.269 179.115 176.870 -0.041 0.000 1.092 46 L CA 1.641 56.468 54.840 -0.022 0.000 0.759 46 L CB -0.536 41.535 42.059 0.020 0.000 0.903 46 L HN 0.169 nan 8.230 nan 0.000 0.435 47 Q N -0.827 118.958 119.800 -0.025 0.000 2.046 47 Q HA -0.152 4.189 4.340 0.001 0.000 0.200 47 Q C 2.322 178.287 176.000 -0.057 0.000 0.975 47 Q CA 1.288 57.078 55.803 -0.022 0.000 0.836 47 Q CB -0.229 28.513 28.738 0.006 0.000 0.896 47 Q HN 0.479 nan 8.270 nan 0.000 0.428 48 L N -0.011 121.150 121.223 -0.103 0.000 2.093 48 L HA -0.166 4.175 4.340 0.001 0.000 0.208 48 L C 2.484 179.100 176.870 -0.422 0.000 1.085 48 L CA 0.941 55.624 54.840 -0.261 0.000 0.755 48 L CB -0.456 41.422 42.059 -0.302 0.000 0.904 48 L HN 0.344 nan 8.230 nan 0.000 0.435 49 M N -0.792 118.641 119.600 -0.279 0.000 2.213 49 M HA -0.170 4.310 4.480 0.001 0.000 0.263 49 M C 2.280 178.485 176.300 -0.158 0.000 1.062 49 M CA 1.279 56.437 55.300 -0.236 0.000 1.105 49 M CB -0.317 32.194 32.600 -0.148 0.000 1.385 49 M HN 0.107 nan 8.290 nan 0.000 0.417 50 V N 0.101 119.948 119.914 -0.112 0.000 2.379 50 V HA -0.197 3.923 4.120 0.001 0.000 0.245 50 V C 2.247 178.325 176.094 -0.027 0.000 1.044 50 V CA 1.576 63.840 62.300 -0.060 0.000 1.036 50 V CB -0.583 31.213 31.823 -0.046 0.000 0.664 50 V HN 0.426 nan 8.190 nan 0.000 0.453 51 E N 0.413 120.600 120.200 -0.022 0.000 2.049 51 E HA -0.277 4.074 4.350 0.001 0.000 0.198 51 E C 2.354 179.046 176.600 0.155 0.000 1.007 51 E CA 1.695 58.151 56.400 0.095 0.000 0.809 51 E CB -0.330 29.505 29.700 0.224 0.000 0.749 51 E HN 0.570 nan 8.360 nan 0.000 0.450 52 A N 1.050 123.877 122.820 0.011 0.000 1.933 52 A HA -0.173 4.147 4.320 0.001 0.000 0.218 52 A C 2.432 180.081 177.584 0.108 0.000 1.175 52 A CA 1.822 53.933 52.037 0.123 0.000 0.628 52 A CB -0.439 18.461 19.000 -0.167 0.000 0.814 52 A HN 0.157 nan 8.150 nan 0.000 0.444 53 S N 0.051 115.768 115.700 0.029 0.000 2.368 53 S HA -0.111 4.360 4.470 0.001 0.000 0.225 53 S C 1.823 176.460 174.600 0.062 0.000 1.030 53 S CA 1.504 59.724 58.200 0.034 0.000 0.999 53 S CB -0.489 62.709 63.200 -0.003 0.000 0.844 53 S HN 0.516 nan 8.310 nan 0.000 0.459 54 L N 1.495 122.758 121.223 0.066 0.000 2.046 54 L HA -0.157 4.183 4.340 0.001 0.000 0.208 54 L C 2.182 179.114 176.870 0.102 0.000 1.077 54 L CA 1.117 56.000 54.840 0.072 0.000 0.747 54 L CB -0.822 41.276 42.059 0.064 0.000 0.896 54 L HN 0.178 nan 8.230 nan 0.000 0.432 55 D N 0.517 121.005 120.400 0.146 0.000 2.149 55 D HA -0.196 4.444 4.640 0.001 0.000 0.194 55 D C 1.769 178.183 176.300 0.189 0.000 1.001 55 D CA 1.678 55.782 54.000 0.173 0.000 0.849 55 D CB -0.400 40.542 40.800 0.237 0.000 0.939 55 D HN 0.461 nan 8.370 nan 0.000 0.449 56 G N -0.507 108.399 108.800 0.176 0.000 2.155 56 G HA2 -0.308 3.653 3.960 0.001 0.000 0.257 56 G HA3 -0.308 3.653 3.960 0.001 0.000 0.257 56 G C 0.721 175.740 174.900 0.199 0.000 0.983 56 G CA 0.530 45.718 45.100 0.148 0.000 0.676 56 G HN 0.443 nan 8.290 nan 0.000 0.528 57 W N 0.224 121.560 121.300 0.061 0.000 2.453 57 W HA 0.081 4.742 4.660 0.001 0.000 0.289 57 W C 1.945 178.503 176.519 0.064 0.000 1.215 57 W CA 1.820 59.202 57.345 0.062 0.000 1.297 57 W CB -0.175 29.327 29.460 0.071 0.000 1.113 57 W HN 0.528 nan 8.180 nan 0.000 0.551 58 L N -0.922 120.384 121.223 0.139 0.000 3.363 58 L HA -0.389 3.951 4.340 0.001 0.000 0.346 58 L C 1.119 178.005 176.870 0.027 0.000 3.762 58 L CA 2.072 56.933 54.840 0.036 0.000 1.796 58 L CB -2.727 39.305 42.059 -0.046 0.000 3.000 58 L HN 0.025 nan 8.230 nan 0.000 0.779 59 T N -0.446 114.022 114.554 -0.144 0.000 2.667 59 T HA 0.367 4.717 4.350 0.001 0.000 0.305 59 T C 0.646 175.494 174.700 0.247 0.000 1.022 59 T CA 0.065 62.152 62.100 -0.022 0.000 0.995 59 T CB 0.626 69.412 68.868 -0.137 0.000 1.026 59 T HN 0.478 nan 8.240 nan 0.000 0.527 60 T N -1.810 112.904 114.554 0.266 0.000 2.903 60 T HA 0.550 4.900 4.350 0.001 0.000 0.314 60 T C 0.824 175.813 174.700 0.482 0.000 1.078 60 T CA -0.214 62.078 62.100 0.321 0.000 1.114 60 T CB 0.602 69.600 68.868 0.218 0.000 0.987 60 T HN 1.233 nan 8.240 nan 0.000 0.548 61 G N 1.227 110.204 108.800 0.296 0.000 2.927 61 G HA2 0.160 4.120 3.960 0.001 0.000 0.111 61 G HA3 0.160 4.120 3.960 0.001 0.000 0.111 61 G C 0.654 175.526 174.900 -0.046 0.000 1.198 61 G CA -0.003 45.132 45.100 0.059 0.000 1.382 61 G HN 0.731 nan 8.290 nan 0.000 0.663 62 R N -0.365 120.010 120.500 -0.207 0.000 2.136 62 R HA -0.112 4.228 4.340 0.001 0.000 0.242 62 R C 2.389 178.525 176.300 -0.273 0.000 1.131 62 R CA 2.688 58.607 56.100 -0.302 0.000 0.937 62 R CB -0.590 29.434 30.300 -0.459 0.000 0.863 62 R HN 0.366 nan 8.270 nan 0.000 0.435 63 F N 0.327 120.290 119.950 0.022 0.000 2.206 63 F HA -0.051 4.476 4.527 0.001 0.000 0.298 63 F C 2.344 178.202 175.800 0.097 0.000 1.090 63 F CA 1.332 59.363 58.000 0.052 0.000 1.323 63 F CB -0.456 38.570 39.000 0.043 0.000 1.028 63 F HN 0.244 nan 8.300 nan 0.000 0.492 64 N N 0.338 119.194 118.700 0.260 0.000 2.166 64 N HA -0.183 4.558 4.740 0.001 0.000 0.186 64 N C 1.431 177.071 175.510 0.217 0.000 1.019 64 N CA 1.608 54.800 53.050 0.237 0.000 0.856 64 N CB -0.214 38.393 38.487 0.199 0.000 0.993 64 N HN 0.049 nan 8.380 nan 0.000 0.426 65 D N -0.028 120.449 120.400 0.128 0.000 2.097 65 D HA -0.125 4.516 4.640 0.001 0.000 0.195 65 D C 1.804 178.151 176.300 0.078 0.000 0.989 65 D CA 1.351 55.401 54.000 0.084 0.000 0.827 65 D CB -0.538 40.271 40.800 0.016 0.000 0.966 65 D HN 0.429 nan 8.370 nan 0.000 0.456 66 A N 0.560 123.420 122.820 0.068 0.000 1.877 66 A HA -0.179 4.142 4.320 0.001 0.000 0.216 66 A C 2.153 179.789 177.584 0.087 0.000 1.186 66 A CA 1.133 53.203 52.037 0.055 0.000 0.620 66 A CB -1.060 17.968 19.000 0.047 0.000 0.822 66 A HN 0.251 nan 8.150 nan 0.000 0.443 67 F N 0.984 120.963 119.950 0.047 0.000 2.069 67 F HA -0.190 4.338 4.527 0.001 0.000 0.298 67 F C 2.291 178.114 175.800 0.037 0.000 1.113 67 F CA 2.350 60.367 58.000 0.028 0.000 1.214 67 F CB -0.324 38.689 39.000 0.021 0.000 0.978 67 F HN 0.363 nan 8.300 nan 0.000 0.474 68 E N 0.139 120.437 120.200 0.163 0.000 2.118 68 E HA -0.287 4.063 4.350 0.001 0.000 0.195 68 E C 2.167 178.742 176.600 -0.042 0.000 0.992 68 E CA 1.490 57.941 56.400 0.086 0.000 0.804 68 E CB -0.292 29.526 29.700 0.196 0.000 0.741 68 E HN 0.449 nan 8.360 nan 0.000 0.458 69 K N 1.595 121.977 120.400 -0.029 0.000 2.001 69 K HA -0.192 4.128 4.320 0.001 0.000 0.208 69 K C 2.181 178.720 176.600 -0.102 0.000 1.048 69 K CA 1.410 57.666 56.287 -0.051 0.000 0.932 69 K CB 0.008 32.491 32.500 -0.029 0.000 0.715 69 K HN -0.132 nan 8.250 nan 0.000 0.437 70 K N 0.634 120.951 120.400 -0.139 0.000 2.097 70 K HA -0.090 4.230 4.320 0.001 0.000 0.206 70 K C 2.119 178.602 176.600 -0.195 0.000 1.049 70 K CA 0.840 57.035 56.287 -0.153 0.000 0.933 70 K CB -0.036 32.373 32.500 -0.151 0.000 0.717 70 K HN 0.186 nan 8.250 nan 0.000 0.442 71 L N 0.242 121.255 121.223 -0.350 0.000 2.156 71 L HA -0.030 4.310 4.340 0.001 0.000 0.208 71 L C 1.981 178.753 176.870 -0.163 0.000 1.095 71 L CA 2.012 56.662 54.840 -0.317 0.000 0.770 71 L CB -1.173 40.541 42.059 -0.576 0.000 0.914 71 L HN 0.352 nan 8.230 nan 0.000 0.439 72 G N -0.499 108.211 108.800 -0.151 0.000 2.422 72 G HA2 -0.231 3.729 3.960 0.001 0.000 0.218 72 G HA3 -0.231 3.729 3.960 0.001 0.000 0.218 72 G C 1.375 176.202 174.900 -0.122 0.000 1.140 72 G CA 0.494 45.518 45.100 -0.126 0.000 0.775 72 G HN 0.510 nan 8.290 nan 0.000 0.545 73 E N -0.794 119.350 120.200 -0.094 0.000 2.112 73 E HA -0.073 4.278 4.350 0.001 0.000 0.190 73 E C 2.048 178.612 176.600 -0.059 0.000 0.979 73 E CA 0.587 56.942 56.400 -0.075 0.000 0.814 73 E CB -0.211 29.456 29.700 -0.055 0.000 0.762 73 E HN 0.509 nan 8.360 nan 0.000 0.460 74 Y N 1.460 121.666 120.300 -0.157 0.000 2.200 74 Y HA -0.150 4.400 4.550 0.001 0.000 0.290 74 Y C 1.844 177.651 175.900 -0.155 0.000 1.137 74 Y CA 1.339 59.352 58.100 -0.144 0.000 1.163 74 Y CB -0.051 38.319 38.460 -0.150 0.000 0.988 74 Y HN -0.067 nan 8.280 nan 0.000 0.518 75 L N -0.954 120.122 121.223 -0.246 0.000 2.179 75 L HA 0.108 4.448 4.340 0.001 0.000 0.208 75 L C 1.593 178.291 176.870 -0.287 0.000 1.096 75 L CA 0.941 55.569 54.840 -0.353 0.000 0.779 75 L CB -0.646 41.153 42.059 -0.434 0.000 0.922 75 L HN 0.461 nan 8.230 nan 0.000 0.443 76 G N 0.889 109.557 108.800 -0.219 0.000 2.207 76 G HA2 -0.163 3.798 3.960 0.001 0.000 0.216 76 G HA3 -0.163 3.798 3.960 0.001 0.000 0.216 76 G C -0.145 174.669 174.900 -0.143 0.000 1.053 76 G CA 0.029 45.025 45.100 -0.173 0.000 0.764 76 G HN 0.259 nan 8.290 nan 0.000 0.495 77 V N -3.075 116.754 119.914 -0.140 0.000 2.823 77 V HA 0.923 5.043 4.120 0.001 0.000 0.312 77 V C -1.009 174.993 176.094 -0.153 0.000 1.072 77 V CA -1.373 60.867 62.300 -0.100 0.000 0.937 77 V CB 2.058 33.879 31.823 -0.005 0.000 1.013 77 V HN 0.016 nan 8.190 nan 0.000 0.430 78 P HA 0.096 nan 4.420 nan 0.000 0.224 78 P C -0.410 176.514 177.300 -0.627 0.000 1.157 78 P CA 0.924 63.703 63.100 -0.536 0.000 0.799 78 P CB 0.104 31.317 31.700 -0.811 0.000 0.809 79 Y N -0.322 120.028 120.300 0.082 0.000 2.326 79 Y HA 0.466 5.017 4.550 0.001 0.000 0.331 79 Y C -0.057 175.940 175.900 0.161 0.000 0.962 79 Y CA -1.240 56.924 58.100 0.106 0.000 1.167 79 Y CB 1.900 40.422 38.460 0.103 0.000 1.148 79 Y HN -0.375 nan 8.280 nan 0.000 0.463 80 V N 5.570 125.657 119.914 0.288 0.000 2.531 80 V HA 0.485 4.606 4.120 0.001 0.000 0.301 80 V C -0.630 175.630 176.094 0.276 0.000 1.034 80 V CA -0.893 61.584 62.300 0.294 0.000 0.865 80 V CB 2.082 34.028 31.823 0.205 0.000 0.995 80 V HN 0.612 nan 8.190 nan 0.000 0.424 81 L N 4.623 126.010 121.223 0.274 0.000 2.349 81 L HA 0.561 4.902 4.340 0.001 0.000 0.278 81 L C 0.476 177.484 176.870 0.231 0.000 0.996 81 L CA -0.474 54.497 54.840 0.217 0.000 0.825 81 L CB 2.412 44.561 42.059 0.150 0.000 1.243 81 L HN 0.780 nan 8.230 nan 0.000 0.412 82 T N -1.037 113.661 114.554 0.241 0.000 2.913 82 T HA 0.489 4.840 4.350 0.001 0.000 0.297 82 T C -0.024 174.752 174.700 0.126 0.000 1.029 82 T CA -0.405 61.837 62.100 0.237 0.000 1.104 82 T CB 2.110 71.110 68.868 0.220 0.000 0.964 82 T HN 0.610 nan 8.240 nan 0.000 0.532 83 T N -0.574 114.038 114.554 0.095 0.000 2.754 83 T HA 0.458 4.808 4.350 0.001 0.000 0.296 83 T C 1.499 176.208 174.700 0.015 0.000 1.205 83 T CA 0.108 62.221 62.100 0.022 0.000 1.009 83 T CB 1.186 70.039 68.868 -0.025 0.000 1.368 83 T HN 0.938 nan 8.240 nan 0.000 0.509 84 T N -0.165 114.376 114.554 -0.021 0.000 2.962 84 T HA 0.236 4.586 4.350 0.001 0.000 0.270 84 T C 0.807 175.501 174.700 -0.011 0.000 1.088 84 T CA 1.282 63.376 62.100 -0.011 0.000 1.127 84 T CB -0.513 68.338 68.868 -0.027 0.000 0.883 84 T HN 1.170 nan 8.240 nan 0.000 0.493 85 S N -2.364 113.305 115.700 -0.053 0.000 2.643 85 S HA 0.586 5.057 4.470 0.001 0.000 0.266 85 S C 1.091 175.596 174.600 -0.158 0.000 1.130 85 S CA -0.439 57.711 58.200 -0.083 0.000 0.817 85 S CB 0.827 63.987 63.200 -0.066 0.000 1.107 85 S HN 0.210 nan 8.310 nan 0.000 0.471 86 G N 1.080 109.750 108.800 -0.217 0.000 2.422 86 G HA2 -0.053 3.907 3.960 0.001 0.000 0.218 86 G HA3 -0.053 3.907 3.960 0.001 0.000 0.218 86 G C 1.254 176.051 174.900 -0.171 0.000 1.146 86 G CA 1.192 46.144 45.100 -0.248 0.000 0.769 86 G HN 0.779 nan 8.290 nan 0.000 0.547 87 S N 0.870 116.491 115.700 -0.131 0.000 2.368 87 S HA -0.087 4.383 4.470 0.001 0.000 0.224 87 S C 2.712 177.231 174.600 -0.136 0.000 1.029 87 S CA 1.337 59.481 58.200 -0.093 0.000 0.988 87 S CB -0.217 62.950 63.200 -0.055 0.000 0.838 87 S HN 0.359 nan 8.310 nan 0.000 0.462 88 S N 1.598 117.210 115.700 -0.148 0.000 2.402 88 S HA 0.015 4.486 4.470 0.001 0.000 0.229 88 S C 2.222 176.712 174.600 -0.184 0.000 1.021 88 S CA 0.850 58.939 58.200 -0.185 0.000 0.974 88 S CB -0.417 62.688 63.200 -0.159 0.000 0.800 88 S HN 0.594 nan 8.310 nan 0.000 0.484 89 A N 2.303 125.029 122.820 -0.158 0.000 1.877 89 A HA -0.143 4.178 4.320 0.001 0.000 0.216 89 A C 1.874 179.354 177.584 -0.174 0.000 1.186 89 A CA 1.617 53.562 52.037 -0.154 0.000 0.620 89 A CB -0.855 18.052 19.000 -0.156 0.000 0.822 89 A HN 0.604 nan 8.150 nan 0.000 0.443 90 N N -0.612 117.989 118.700 -0.164 0.000 2.166 90 N HA -0.148 4.592 4.740 0.001 0.000 0.186 90 N C 1.667 177.072 175.510 -0.175 0.000 1.019 90 N CA 1.189 54.146 53.050 -0.154 0.000 0.856 90 N CB -0.200 38.220 38.487 -0.112 0.000 0.993 90 N HN 0.399 nan 8.380 nan 0.000 0.426 91 L N 1.273 122.378 121.223 -0.197 0.000 2.046 91 L HA -0.072 4.268 4.340 0.001 0.000 0.208 91 L C 1.749 178.451 176.870 -0.280 0.000 1.077 91 L CA 1.446 56.140 54.840 -0.244 0.000 0.747 91 L CB -0.411 41.456 42.059 -0.320 0.000 0.896 91 L HN 0.182 nan 8.230 nan 0.000 0.432 92 L N -0.860 120.204 121.223 -0.265 0.000 2.109 92 L HA -0.103 4.238 4.340 0.001 0.000 0.207 92 L C 2.648 179.365 176.870 -0.254 0.000 1.086 92 L CA 0.910 55.600 54.840 -0.250 0.000 0.760 92 L CB -0.912 41.051 42.059 -0.160 0.000 0.910 92 L HN 0.362 nan 8.230 nan 0.000 0.437 93 A N 0.169 122.853 122.820 -0.225 0.000 1.845 93 A HA -0.207 4.113 4.320 0.001 0.000 0.215 93 A C 2.250 179.674 177.584 -0.266 0.000 1.195 93 A CA 1.538 53.439 52.037 -0.226 0.000 0.616 93 A CB -0.778 18.098 19.000 -0.208 0.000 0.832 93 A HN 0.303 nan 8.150 nan 0.000 0.443 94 L N -0.135 120.939 121.223 -0.249 0.000 2.056 94 L HA -0.103 4.237 4.340 0.001 0.000 0.207 94 L C 2.378 179.062 176.870 -0.311 0.000 1.078 94 L CA 2.779 57.468 54.840 -0.252 0.000 0.749 94 L CB -1.669 40.278 42.059 -0.187 0.000 0.901 94 L HN 0.420 nan 8.230 nan 0.000 0.433 95 T N 0.773 115.108 114.554 -0.365 0.000 2.720 95 T HA -0.153 4.198 4.350 0.001 0.000 0.268 95 T C 1.957 176.221 174.700 -0.726 0.000 1.037 95 T CA 1.429 63.210 62.100 -0.533 0.000 1.144 95 T CB -0.333 68.154 68.868 -0.634 0.000 0.864 95 T HN 0.531 nan 8.240 nan 0.000 0.444 96 A N 1.317 123.764 122.820 -0.622 0.000 1.986 96 A HA -0.013 4.308 4.320 0.001 0.000 0.220 96 A C 2.071 179.497 177.584 -0.263 0.000 1.171 96 A CA 1.162 52.981 52.037 -0.363 0.000 0.640 96 A CB -0.815 18.058 19.000 -0.211 0.000 0.811 96 A HN 0.540 nan 8.150 nan 0.000 0.451 97 L N 0.231 121.220 121.223 -0.390 0.000 2.610 97 L HA -0.027 4.313 4.340 0.001 0.000 0.232 97 L C 2.168 178.887 176.870 -0.251 0.000 1.149 97 L CA 1.154 55.700 54.840 -0.491 0.000 0.872 97 L CB -0.518 41.067 42.059 -0.790 0.000 0.992 97 L HN 0.631 nan 8.230 nan 0.000 0.447 98 T N -5.363 109.103 114.554 -0.148 0.000 3.060 98 T HA 0.018 4.368 4.350 0.001 0.000 0.249 98 T C 0.989 175.756 174.700 0.113 0.000 1.079 98 T CA -0.167 61.920 62.100 -0.021 0.000 1.013 98 T CB 0.149 68.999 68.868 -0.031 0.000 0.975 98 T HN 0.102 nan 8.240 nan 0.000 0.518 99 S N 3.815 119.612 115.700 0.162 0.000 2.546 99 S HA 0.134 4.604 4.470 0.001 0.000 0.290 99 S C -0.891 173.834 174.600 0.209 0.000 1.262 99 S CA -1.166 57.203 58.200 0.281 0.000 1.083 99 S CB 0.787 64.141 63.200 0.257 0.000 0.859 99 S HN 0.255 nan 8.310 nan 0.000 0.495 100 P HA -0.101 nan 4.420 nan 0.000 0.226 100 P C 0.472 177.845 177.300 0.122 0.000 1.146 100 P CA 0.977 64.156 63.100 0.131 0.000 0.773 100 P CB 0.082 31.839 31.700 0.095 0.000 0.772 101 K N -0.714 119.777 120.400 0.151 0.000 2.365 101 K HA 0.026 4.346 4.320 0.001 0.000 0.199 101 K C 1.396 178.076 176.600 0.135 0.000 1.045 101 K CA 0.422 56.786 56.287 0.128 0.000 0.962 101 K CB -0.174 32.412 32.500 0.143 0.000 0.759 101 K HN 0.119 nan 8.250 nan 0.000 0.469 102 L N 0.191 121.508 121.223 0.158 0.000 2.591 102 L HA 0.112 4.453 4.340 0.001 0.000 0.228 102 L C 1.385 178.362 176.870 0.178 0.000 1.133 102 L CA 0.843 55.805 54.840 0.203 0.000 0.880 102 L CB -1.429 40.789 42.059 0.267 0.000 1.033 102 L HN 0.316 nan 8.230 nan 0.000 0.450 103 G N 0.493 109.372 108.800 0.132 0.000 2.634 103 G HA2 -0.417 3.543 3.960 0.001 0.000 0.309 103 G HA3 -0.417 3.543 3.960 0.001 0.000 0.309 103 G C 1.194 176.159 174.900 0.108 0.000 1.265 103 G CA 0.550 45.712 45.100 0.104 0.000 0.998 103 G HN 0.112 nan 8.290 nan 0.000 0.551 104 V N 1.961 121.928 119.914 0.089 0.000 2.867 104 V HA -0.049 4.071 4.120 0.001 0.000 0.260 104 V C 2.813 178.973 176.094 0.110 0.000 1.099 104 V CA 2.772 65.120 62.300 0.080 0.000 1.122 104 V CB -0.450 31.404 31.823 0.051 0.000 0.708 104 V HN 0.563 nan 8.190 nan 0.000 0.490 105 R N 0.177 120.772 120.500 0.158 0.000 2.275 105 R HA 0.239 4.579 4.340 0.001 0.000 0.199 105 R C 0.994 177.549 176.300 0.426 0.000 0.989 105 R CA 0.667 56.924 56.100 0.262 0.000 1.016 105 R CB -0.372 30.102 30.300 0.291 0.000 0.918 105 R HN 0.513 nan 8.270 nan 0.000 0.473 106 A N 1.757 124.736 122.820 0.265 0.000 2.477 106 A HA 0.203 4.524 4.320 0.001 0.000 0.246 106 A C 0.343 178.012 177.584 0.142 0.000 1.078 106 A CA -0.180 51.967 52.037 0.184 0.000 0.770 106 A CB 0.163 19.241 19.000 0.130 0.000 1.011 106 A HN 0.200 nan 8.150 nan 0.000 0.494 107 L N 2.360 123.626 121.223 0.073 0.000 2.410 107 L HA 0.238 4.579 4.340 0.001 0.000 0.273 107 L C 0.454 177.344 176.870 0.033 0.000 1.152 107 L CA 0.315 55.183 54.840 0.045 0.000 0.855 107 L CB 0.436 42.479 42.059 -0.027 0.000 1.129 107 L HN 0.733 nan 8.230 nan 0.000 0.463 108 K N 3.669 124.091 120.400 0.036 0.000 2.340 108 K HA 0.500 4.820 4.320 0.001 0.000 0.244 108 K C -2.514 174.095 176.600 0.015 0.000 0.973 108 K CA -1.922 54.382 56.287 0.029 0.000 0.828 108 K CB 1.619 34.141 32.500 0.036 0.000 1.226 108 K HN 0.217 nan 8.250 nan 0.000 0.437 109 P HA -0.030 nan 4.420 nan 0.000 0.266 109 P C 0.462 177.764 177.300 0.003 0.000 1.195 109 P CA 0.973 64.075 63.100 0.003 0.000 0.768 109 P CB 0.563 32.266 31.700 0.005 0.000 0.838 110 G N 1.639 110.437 108.800 -0.003 0.000 2.258 110 G HA2 -0.185 3.775 3.960 0.001 0.000 0.233 110 G HA3 -0.185 3.775 3.960 0.001 0.000 0.233 110 G C 0.125 175.023 174.900 -0.004 0.000 1.006 110 G CA -0.237 44.861 45.100 -0.004 0.000 0.620 110 G HN 0.501 nan 8.290 nan 0.000 0.511 111 D N 1.429 121.829 120.400 0.001 0.000 2.360 111 D HA 0.503 5.144 4.640 0.001 0.000 0.242 111 D C 0.672 176.965 176.300 -0.013 0.000 1.184 111 D CA 0.269 54.271 54.000 0.003 0.000 0.930 111 D CB 0.633 41.446 40.800 0.020 0.000 1.161 111 D HN 0.592 nan 8.370 nan 0.000 0.447 112 E N -0.399 119.790 120.200 -0.018 0.000 2.221 112 E HA 0.551 4.901 4.350 0.001 0.000 0.268 112 E C -0.967 175.602 176.600 -0.052 0.000 0.933 112 E CA -0.968 55.406 56.400 -0.043 0.000 0.809 112 E CB 2.318 31.986 29.700 -0.053 0.000 1.190 112 E HN 0.005 nan 8.360 nan 0.000 0.406 113 V N 3.304 123.165 119.914 -0.087 0.000 2.443 113 V HA 0.306 4.426 4.120 0.001 0.000 0.293 113 V C -0.232 175.768 176.094 -0.156 0.000 1.021 113 V CA -0.636 61.605 62.300 -0.098 0.000 0.848 113 V CB 1.194 32.959 31.823 -0.096 0.000 0.998 113 V HN 0.598 nan 8.190 nan 0.000 0.424 114 I N 4.272 124.756 120.570 -0.143 0.000 2.496 114 I HA 0.482 4.653 4.170 0.001 0.000 0.285 114 I C 0.624 176.629 176.117 -0.186 0.000 1.080 114 I CA 0.884 62.080 61.300 -0.172 0.000 1.404 114 I CB 1.443 39.355 38.000 -0.147 0.000 1.403 114 I HN 0.767 nan 8.210 nan 0.000 0.539 115 T N 4.936 119.368 114.554 -0.204 0.000 2.637 115 T HA 0.596 4.947 4.350 0.001 0.000 0.303 115 T C -1.395 173.306 174.700 0.001 0.000 1.288 115 T CA -0.465 61.551 62.100 -0.139 0.000 1.040 115 T CB 1.348 70.137 68.868 -0.132 0.000 1.644 115 T HN 0.386 nan 8.240 nan 0.000 0.480 116 V N -0.040 119.942 119.914 0.114 0.000 2.864 116 V HA 0.959 5.080 4.120 0.001 0.000 0.314 116 V C 0.910 177.176 176.094 0.288 0.000 1.073 116 V CA -0.091 62.331 62.300 0.203 0.000 0.956 116 V CB 1.116 32.978 31.823 0.064 0.000 1.023 116 V HN 1.104 nan 8.190 nan 0.000 0.435 117 A N 1.966 124.808 122.820 0.037 0.000 2.178 117 A HA 0.646 4.967 4.320 0.001 0.000 0.211 117 A C 1.419 178.884 177.584 -0.198 0.000 1.157 117 A CA 0.730 52.526 52.037 -0.401 0.000 0.780 117 A CB -0.354 18.129 19.000 -0.862 0.000 0.828 117 A HN 1.742 nan 8.150 nan 0.000 0.476 118 A N 0.364 123.157 122.820 -0.045 0.000 3.015 118 A HA 0.596 4.917 4.320 0.001 0.000 0.293 118 A C 0.622 178.277 177.584 0.119 0.000 1.572 118 A CA 0.354 52.411 52.037 0.033 0.000 1.274 118 A CB -0.938 18.104 19.000 0.069 0.000 1.156 118 A HN 0.994 nan 8.150 nan 0.000 0.562 119 G N -0.230 108.656 108.800 0.143 0.000 2.664 119 G HA2 0.468 4.428 3.960 0.001 0.000 0.303 119 G HA3 0.468 4.428 3.960 0.001 0.000 0.303 119 G C -1.348 173.718 174.900 0.278 0.000 1.243 119 G CA -0.577 44.668 45.100 0.241 0.000 0.826 119 G HN 0.307 nan 8.290 nan 0.000 0.498 120 F N 2.705 122.651 119.950 -0.005 0.000 2.394 120 F HA 0.528 5.056 4.527 0.001 0.000 0.340 120 F C -0.775 175.016 175.800 -0.014 0.000 1.105 120 F CA -2.172 55.759 58.000 -0.115 0.000 1.124 120 F CB 2.162 40.919 39.000 -0.405 0.000 1.145 120 F HN 0.181 nan 8.300 nan 0.000 0.505 121 P HA -0.224 nan 4.420 nan 0.000 0.215 121 P C 1.223 178.468 177.300 -0.092 0.000 1.157 121 P CA 2.424 65.403 63.100 -0.203 0.000 0.874 121 P CB -0.495 31.000 31.700 -0.342 0.000 0.790 122 T N -4.569 109.901 114.554 -0.141 0.000 3.163 122 T HA -0.001 4.350 4.350 0.001 0.000 0.260 122 T C 1.507 176.235 174.700 0.047 0.000 1.156 122 T CA 1.128 63.231 62.100 0.005 0.000 1.072 122 T CB -1.324 67.582 68.868 0.064 0.000 0.937 122 T HN 0.057 nan 8.240 nan 0.000 0.528 123 T N 0.990 115.592 114.554 0.080 0.000 3.014 123 T HA 0.123 4.473 4.350 0.001 0.000 0.263 123 T C 1.838 176.557 174.700 0.031 0.000 1.078 123 T CA 0.612 62.738 62.100 0.043 0.000 1.135 123 T CB -0.002 68.900 68.868 0.057 0.000 0.895 123 T HN 0.338 nan 8.240 nan 0.000 0.480 124 V N 1.476 121.438 119.914 0.081 0.000 3.085 124 V HA 0.066 4.187 4.120 0.001 0.000 0.245 124 V C 2.093 178.249 176.094 0.103 0.000 1.114 124 V CA 0.387 62.752 62.300 0.109 0.000 1.108 124 V CB -0.284 31.687 31.823 0.247 0.000 0.798 124 V HN 0.288 nan 8.190 nan 0.000 0.471 125 N N 1.486 120.249 118.700 0.105 0.000 2.094 125 N HA -0.137 4.604 4.740 0.001 0.000 0.191 125 N C -0.582 174.929 175.510 0.001 0.000 1.023 125 N CA 2.080 55.170 53.050 0.066 0.000 0.857 125 N CB -1.666 36.825 38.487 0.008 0.000 1.013 125 N HN 0.389 nan 8.380 nan 0.000 0.426 126 P HA -0.081 nan 4.420 nan 0.000 0.218 126 P C 1.183 178.445 177.300 -0.063 0.000 1.148 126 P CA 1.391 64.449 63.100 -0.070 0.000 0.822 126 P CB -0.135 31.500 31.700 -0.109 0.000 0.784 127 T N 0.564 115.089 114.554 -0.048 0.000 2.674 127 T HA -0.081 4.270 4.350 0.001 0.000 0.265 127 T C 1.946 176.625 174.700 -0.036 0.000 1.039 127 T CA 1.220 63.289 62.100 -0.051 0.000 1.150 127 T CB -0.732 68.105 68.868 -0.052 0.000 0.864 127 T HN 0.084 nan 8.240 nan 0.000 0.427 128 I N 1.039 121.598 120.570 -0.018 0.000 2.286 128 I HA -0.187 3.984 4.170 0.001 0.000 0.248 128 I C 2.612 178.716 176.117 -0.021 0.000 1.115 128 I CA 1.306 62.592 61.300 -0.024 0.000 1.392 128 I CB -0.491 37.487 38.000 -0.036 0.000 1.065 128 I HN 0.298 nan 8.210 nan 0.000 0.418 129 Q N 0.547 120.336 119.800 -0.018 0.000 2.291 129 Q HA -0.136 4.204 4.340 0.001 0.000 0.205 129 Q C 1.116 177.112 176.000 -0.007 0.000 0.970 129 Q CA 1.108 56.906 55.803 -0.009 0.000 0.876 129 Q CB -0.199 28.535 28.738 -0.006 0.000 0.935 129 Q HN 0.530 nan 8.270 nan 0.000 0.455 130 N N -1.021 117.664 118.700 -0.024 0.000 2.270 130 N HA 0.121 4.861 4.740 0.001 0.000 0.198 130 N C 0.322 175.821 175.510 -0.020 0.000 1.117 130 N CA 0.509 53.543 53.050 -0.027 0.000 0.845 130 N CB 1.175 39.626 38.487 -0.060 0.000 0.980 130 N HN 0.302 nan 8.380 nan 0.000 0.486 131 G N -0.265 108.525 108.800 -0.017 0.000 2.176 131 G HA2 -0.253 3.708 3.960 0.001 0.000 0.253 131 G HA3 -0.253 3.708 3.960 0.001 0.000 0.253 131 G C -0.077 174.814 174.900 -0.016 0.000 0.979 131 G CA -0.095 44.997 45.100 -0.013 0.000 0.641 131 G HN 0.129 nan 8.290 nan 0.000 0.530 132 L N 0.703 121.912 121.223 -0.023 0.000 2.469 132 L HA 0.660 5.000 4.340 0.001 0.000 0.253 132 L C 0.817 177.671 176.870 -0.026 0.000 1.143 132 L CA -0.689 54.136 54.840 -0.026 0.000 0.804 132 L CB 0.621 42.658 42.059 -0.036 0.000 1.214 132 L HN 0.056 nan 8.230 nan 0.000 0.476 133 I N 1.846 122.398 120.570 -0.030 0.000 2.355 133 I HA 0.329 4.499 4.170 0.001 0.000 0.288 133 I C -2.333 173.744 176.117 -0.067 0.000 0.999 133 I CA -2.449 58.837 61.300 -0.025 0.000 1.163 133 I CB 1.028 39.016 38.000 -0.019 0.000 1.316 133 I HN 0.250 nan 8.210 nan 0.000 0.454 134 P HA 0.223 nan 4.420 nan 0.000 0.281 134 P C -0.565 176.492 177.300 -0.405 0.000 1.252 134 P CA -0.184 62.733 63.100 -0.304 0.000 0.778 134 P CB 1.018 32.508 31.700 -0.349 0.000 0.895 135 V N 5.287 124.933 119.914 -0.447 0.000 2.350 135 V HA 0.378 4.498 4.120 0.001 0.000 0.285 135 V C -0.253 175.632 176.094 -0.347 0.000 1.014 135 V CA -0.375 61.756 62.300 -0.283 0.000 0.831 135 V CB 0.182 31.923 31.823 -0.138 0.000 1.000 135 V HN 0.372 nan 8.190 nan 0.000 0.433 136 F N 4.255 124.218 119.950 0.022 0.000 2.397 136 F HA 0.778 5.306 4.527 0.001 0.000 0.331 136 F C 0.363 176.145 175.800 -0.029 0.000 1.090 136 F CA -0.785 57.199 58.000 -0.027 0.000 1.065 136 F CB 1.782 40.744 39.000 -0.063 0.000 1.184 136 F HN 0.396 nan 8.300 nan 0.000 0.499 137 V N -1.549 118.459 119.914 0.156 0.000 3.040 137 V HA 0.565 4.685 4.120 0.001 0.000 0.312 137 V C -0.916 175.209 176.094 0.052 0.000 1.115 137 V CA -1.010 61.331 62.300 0.068 0.000 0.998 137 V CB 1.803 33.633 31.823 0.011 0.000 1.042 137 V HN 0.606 nan 8.190 nan 0.000 0.433 138 D N 0.656 121.071 120.400 0.025 0.000 2.360 138 D HA 0.493 5.134 4.640 0.001 0.000 0.242 138 D C 0.155 176.460 176.300 0.008 0.000 1.184 138 D CA 0.385 54.392 54.000 0.011 0.000 0.930 138 D CB 1.666 42.469 40.800 0.005 0.000 1.161 138 D HN 0.934 nan 8.370 nan 0.000 0.447 139 V N -0.796 119.124 119.914 0.010 0.000 3.193 139 V HA 0.554 4.674 4.120 0.001 0.000 0.320 139 V C -0.075 176.014 176.094 -0.009 0.000 1.112 139 V CA -0.830 61.478 62.300 0.014 0.000 1.026 139 V CB 1.724 33.575 31.823 0.045 0.000 1.128 139 V HN 0.552 nan 8.190 nan 0.000 0.452 140 D N -0.090 120.293 120.400 -0.029 0.000 2.269 140 D HA 0.543 5.183 4.640 0.001 0.000 0.244 140 D C -1.211 174.965 176.300 -0.206 0.000 0.992 140 D CA -0.490 53.464 54.000 -0.077 0.000 0.894 140 D CB 2.146 42.915 40.800 -0.051 0.000 1.248 140 D HN 0.616 nan 8.370 nan 0.000 0.468 141 I N 2.903 123.330 120.570 -0.237 0.000 2.509 141 I HA 0.244 4.415 4.170 0.001 0.000 0.293 141 I C -1.900 174.051 176.117 -0.276 0.000 1.020 141 I CA -1.973 59.070 61.300 -0.430 0.000 1.088 141 I CB 2.713 40.559 38.000 -0.257 0.000 1.267 141 I HN 0.242 nan 8.210 nan 0.000 0.430 142 P HA 0.125 nan 4.420 nan 0.000 0.231 142 P C 0.592 177.613 177.300 -0.466 0.000 1.833 142 P CA -0.046 62.736 63.100 -0.530 0.000 1.023 142 P CB -0.111 31.494 31.700 -0.158 0.000 1.643 143 T N -5.511 108.805 114.554 -0.396 0.000 3.014 143 T HA 0.017 4.367 4.350 0.001 0.000 0.250 143 T C 0.750 175.489 174.700 0.064 0.000 1.060 143 T CA -0.066 62.009 62.100 -0.041 0.000 1.040 143 T CB -0.915 67.964 68.868 0.018 0.000 0.971 143 T HN 0.020 nan 8.240 nan 0.000 0.497 144 Y N 0.980 121.328 120.300 0.081 0.000 4.079 144 Y HA -0.226 4.325 4.550 0.001 0.000 0.223 144 Y C 0.224 176.173 175.900 0.081 0.000 1.155 144 Y CA 0.204 58.347 58.100 0.072 0.000 1.805 144 Y CB -2.877 35.624 38.460 0.070 0.000 1.571 144 Y HN 0.382 nan 8.280 nan 0.000 0.654 145 N N -1.573 117.207 118.700 0.133 0.000 2.381 145 N HA 0.580 5.320 4.740 0.001 0.000 0.294 145 N C -0.843 174.714 175.510 0.079 0.000 1.216 145 N CA -0.732 52.402 53.050 0.140 0.000 0.803 145 N CB 1.684 40.286 38.487 0.191 0.000 1.372 145 N HN 0.035 nan 8.380 nan 0.000 0.500 146 V N 1.226 121.169 119.914 0.049 0.000 2.752 146 V HA -0.121 3.999 4.120 0.001 0.000 0.306 146 V C 0.266 176.364 176.094 0.007 0.000 1.099 146 V CA 0.617 62.913 62.300 -0.008 0.000 1.240 146 V CB -0.054 31.703 31.823 -0.110 0.000 0.887 146 V HN 0.756 nan 8.190 nan 0.000 0.499 147 N N 5.297 123.995 118.700 -0.003 0.000 2.807 147 N HA 0.305 5.045 4.740 0.001 0.000 0.259 147 N C 1.237 176.744 175.510 -0.005 0.000 1.149 147 N CA 0.204 53.255 53.050 0.002 0.000 1.042 147 N CB 0.556 39.042 38.487 -0.002 0.000 1.367 147 N HN 0.919 nan 8.380 nan 0.000 0.516 148 A N 2.136 124.956 122.820 0.001 0.000 2.009 148 A HA -0.283 4.037 4.320 0.001 0.000 0.222 148 A C 2.262 179.842 177.584 -0.005 0.000 1.175 148 A CA 2.199 54.230 52.037 -0.009 0.000 0.651 148 A CB -0.789 18.223 19.000 0.019 0.000 0.815 148 A HN 0.787 nan 8.150 nan 0.000 0.459 149 S N -0.487 115.216 115.700 0.005 0.000 2.469 149 S HA -0.017 4.453 4.470 0.001 0.000 0.238 149 S C 1.516 176.115 174.600 -0.002 0.000 0.998 149 S CA 1.355 59.559 58.200 0.007 0.000 0.957 149 S CB -0.559 62.648 63.200 0.011 0.000 0.764 149 S HN 0.515 nan 8.310 nan 0.000 0.514 150 L N 0.196 121.414 121.223 -0.010 0.000 2.567 150 L HA 0.307 4.647 4.340 0.001 0.000 0.225 150 L C 2.116 178.967 176.870 -0.030 0.000 1.119 150 L CA 0.130 54.962 54.840 -0.014 0.000 0.871 150 L CB -0.413 41.641 42.059 -0.009 0.000 1.036 150 L HN 0.284 nan 8.230 nan 0.000 0.459 151 I N 0.384 120.928 120.570 -0.043 0.000 2.202 151 I HA -0.279 3.891 4.170 0.001 0.000 0.242 151 I C 2.568 178.630 176.117 -0.092 0.000 1.091 151 I CA 1.350 62.606 61.300 -0.073 0.000 1.368 151 I CB -0.112 37.837 38.000 -0.085 0.000 1.058 151 I HN 0.285 nan 8.210 nan 0.000 0.410 152 E N 1.513 121.673 120.200 -0.067 0.000 2.114 152 E HA -0.276 4.074 4.350 0.001 0.000 0.199 152 E C 2.056 178.595 176.600 -0.101 0.000 1.008 152 E CA 1.854 58.205 56.400 -0.082 0.000 0.810 152 E CB -0.101 29.604 29.700 0.008 0.000 0.739 152 E HN 0.480 nan 8.360 nan 0.000 0.456 153 A N 0.025 122.810 122.820 -0.058 0.000 2.119 153 A HA 0.143 4.463 4.320 0.001 0.000 0.217 153 A C 2.149 179.695 177.584 -0.063 0.000 1.153 153 A CA 1.233 53.242 52.037 -0.046 0.000 0.692 153 A CB -0.381 18.607 19.000 -0.021 0.000 0.799 153 A HN 0.377 nan 8.150 nan 0.000 0.458 154 A N -0.628 122.141 122.820 -0.086 0.000 2.218 154 A HA 0.422 4.743 4.320 0.001 0.000 0.209 154 A C 0.704 178.212 177.584 -0.127 0.000 1.168 154 A CA 0.103 52.089 52.037 -0.085 0.000 0.804 154 A CB -0.223 18.730 19.000 -0.077 0.000 0.834 154 A HN 0.208 nan 8.150 nan 0.000 0.482 155 V N 1.959 121.755 119.914 -0.197 0.000 2.508 155 V HA 0.405 4.525 4.120 0.001 0.000 0.281 155 V C 0.717 176.702 176.094 -0.181 0.000 1.041 155 V CA 0.469 62.597 62.300 -0.285 0.000 1.016 155 V CB 0.611 32.050 31.823 -0.641 0.000 0.984 155 V HN 0.609 nan 8.190 nan 0.000 0.478 156 S N 2.582 118.209 115.700 -0.123 0.000 2.900 156 S HA 0.373 4.843 4.470 0.001 0.000 0.320 156 S C 0.750 175.336 174.600 -0.023 0.000 1.130 156 S CA -0.059 58.109 58.200 -0.054 0.000 0.863 156 S CB 1.654 64.830 63.200 -0.039 0.000 1.295 156 S HN 0.729 nan 8.310 nan 0.000 0.596 157 D N -0.004 120.397 120.400 0.001 0.000 2.317 157 D HA -0.030 4.610 4.640 0.001 0.000 0.211 157 D C 1.072 177.380 176.300 0.013 0.000 0.966 157 D CA 0.635 54.647 54.000 0.019 0.000 0.876 157 D CB -0.147 40.665 40.800 0.020 0.000 0.927 157 D HN 0.549 nan 8.370 nan 0.000 0.519 158 K N 0.012 120.412 120.400 -0.001 0.000 2.379 158 K HA 0.073 4.393 4.320 0.001 0.000 0.194 158 K C 0.362 176.960 176.600 -0.003 0.000 1.031 158 K CA 0.070 56.358 56.287 0.001 0.000 1.037 158 K CB 0.397 32.893 32.500 -0.007 0.000 0.824 158 K HN -0.000 nan 8.250 nan 0.000 0.516 159 T N 1.907 116.449 114.554 -0.020 0.000 2.902 159 T HA 0.040 4.390 4.350 0.001 0.000 0.301 159 T C 0.816 175.519 174.700 0.006 0.000 1.012 159 T CA 0.595 62.675 62.100 -0.033 0.000 1.151 159 T CB 0.725 69.539 68.868 -0.090 0.000 0.946 159 T HN 0.154 nan 8.240 nan 0.000 0.542 160 K N 0.637 121.055 120.400 0.031 0.000 2.538 160 K HA 0.477 4.797 4.320 0.001 0.000 0.215 160 K C 0.252 176.949 176.600 0.162 0.000 1.345 160 K CA -0.171 56.176 56.287 0.101 0.000 0.985 160 K CB 1.201 33.786 32.500 0.141 0.000 1.116 160 K HN 0.615 nan 8.250 nan 0.000 0.582 161 A N 1.101 123.976 122.820 0.093 0.000 2.599 161 A HA 0.722 5.043 4.320 0.001 0.000 0.290 161 A C -1.768 175.821 177.584 0.008 0.000 1.101 161 A CA -0.659 51.444 52.037 0.110 0.000 0.674 161 A CB 1.203 20.284 19.000 0.135 0.000 1.277 161 A HN 0.091 nan 8.150 nan 0.000 0.419 162 I N 0.916 121.486 120.570 0.000 0.000 2.468 162 I HA 0.493 4.663 4.170 0.001 0.000 0.285 162 I C -0.613 175.452 176.117 -0.088 0.000 1.039 162 I CA -0.009 61.243 61.300 -0.079 0.000 1.074 162 I CB 1.859 39.796 38.000 -0.104 0.000 1.228 162 I HN 0.721 nan 8.210 nan 0.000 0.436 163 M N 9.269 128.796 119.600 -0.122 0.000 2.093 163 M HA 0.646 5.126 4.480 0.001 0.000 0.297 163 M C -1.573 174.635 176.300 -0.152 0.000 0.938 163 M CA -0.382 54.849 55.300 -0.116 0.000 0.920 163 M CB 1.123 33.668 32.600 -0.091 0.000 1.517 163 M HN 0.568 nan 8.290 nan 0.000 0.427 164 I N 1.059 121.508 120.570 -0.201 0.000 2.994 164 I HA 0.983 5.153 4.170 0.001 0.000 0.306 164 I C -1.231 174.817 176.117 -0.115 0.000 1.195 164 I CA -1.078 60.091 61.300 -0.217 0.000 1.001 164 I CB 2.054 39.785 38.000 -0.448 0.000 1.244 164 I HN 0.648 nan 8.210 nan 0.000 0.437 165 A N 1.754 124.551 122.820 -0.038 0.000 2.294 165 A HA 0.587 4.907 4.320 0.001 0.000 0.330 165 A C -0.935 176.703 177.584 0.090 0.000 1.133 165 A CA -0.565 51.476 52.037 0.007 0.000 0.836 165 A CB 0.254 19.255 19.000 0.001 0.000 1.190 165 A HN 0.879 nan 8.150 nan 0.000 0.492 166 H N 1.162 120.329 119.070 0.163 0.000 2.982 166 H HA 0.201 4.757 4.556 0.001 0.000 0.261 166 H C -0.005 175.339 175.328 0.027 0.000 1.603 166 H CA 0.091 56.180 56.048 0.069 0.000 1.398 166 H CB -0.191 29.506 29.762 -0.108 0.000 1.693 166 H HN 0.620 nan 8.280 nan 0.000 0.535 167 T N 4.390 119.041 114.554 0.161 0.000 2.800 167 T HA -0.110 4.240 4.350 0.001 0.000 0.283 167 T C 1.148 175.893 174.700 0.073 0.000 0.999 167 T CA 0.224 62.399 62.100 0.125 0.000 1.176 167 T CB -0.034 68.942 68.868 0.181 0.000 0.973 167 T HN 0.689 nan 8.240 nan 0.000 0.519 168 L N 2.271 123.491 121.223 -0.005 0.000 3.976 168 L HA -0.333 4.007 4.340 0.001 0.000 0.418 168 L C 1.646 178.571 176.870 0.092 0.000 1.177 168 L CA 0.695 55.527 54.840 -0.014 0.000 0.968 168 L CB -2.149 39.901 42.059 -0.015 0.000 1.933 168 L HN 1.157 nan 8.230 nan 0.000 0.976 169 G N -1.497 107.315 108.800 0.020 0.000 2.268 169 G HA2 -0.344 3.616 3.960 0.001 0.000 0.240 169 G HA3 -0.344 3.616 3.960 0.001 0.000 0.240 169 G C 0.203 174.871 174.900 -0.387 0.000 1.010 169 G CA 0.391 45.442 45.100 -0.082 0.000 0.618 169 G HN 0.495 nan 8.290 nan 0.000 0.516 170 N N 0.723 119.140 118.700 -0.471 0.000 2.518 170 N HA 0.501 5.242 4.740 0.001 0.000 0.266 170 N C 0.378 175.758 175.510 -0.216 0.000 1.196 170 N CA -0.146 52.568 53.050 -0.561 0.000 0.947 170 N CB 0.376 38.635 38.487 -0.381 0.000 1.098 170 N HN 0.334 nan 8.380 nan 0.000 0.450 171 L N 3.119 124.201 121.223 -0.236 0.000 2.399 171 L HA 0.410 4.751 4.340 0.001 0.000 0.266 171 L C 0.164 177.069 176.870 0.057 0.000 1.114 171 L CA -0.714 54.019 54.840 -0.179 0.000 0.804 171 L CB 0.235 42.076 42.059 -0.363 0.000 1.146 171 L HN 0.453 nan 8.230 nan 0.000 0.451 172 F N -1.610 118.482 119.950 0.238 0.000 2.380 172 F HA 0.344 4.871 4.527 0.001 0.000 0.321 172 F C 0.582 176.347 175.800 -0.058 0.000 1.103 172 F CA -1.656 56.371 58.000 0.044 0.000 1.067 172 F CB 0.036 39.014 39.000 -0.037 0.000 1.265 172 F HN 0.403 nan 8.300 nan 0.000 0.517 173 D N 2.209 122.785 120.400 0.293 0.000 2.483 173 D HA -0.031 4.610 4.640 0.001 0.000 0.261 173 D C 1.096 177.412 176.300 0.027 0.000 1.318 173 D CA 0.578 54.672 54.000 0.157 0.000 1.201 173 D CB -0.116 40.768 40.800 0.140 0.000 1.127 173 D HN 0.701 nan 8.370 nan 0.000 0.519 174 L N 2.490 123.375 121.223 -0.564 0.000 2.083 174 L HA -0.190 4.151 4.340 0.001 0.000 0.209 174 L C 2.460 179.151 176.870 -0.298 0.000 1.083 174 L CA 1.175 55.612 54.840 -0.672 0.000 0.752 174 L CB -0.216 40.823 42.059 -1.699 0.000 0.899 174 L HN 0.391 nan 8.230 nan 0.000 0.433 175 A N -0.052 122.684 122.820 -0.141 0.000 1.883 175 A HA -0.286 4.034 4.320 0.001 0.000 0.217 175 A C 2.191 179.814 177.584 0.065 0.000 1.186 175 A CA 2.166 54.252 52.037 0.083 0.000 0.624 175 A CB -0.476 18.646 19.000 0.203 0.000 0.822 175 A HN 0.413 nan 8.150 nan 0.000 0.444 176 E N -0.246 119.990 120.200 0.061 0.000 2.072 176 E HA -0.073 4.277 4.350 0.001 0.000 0.190 176 E C 1.813 178.438 176.600 0.042 0.000 0.982 176 E CA 1.359 57.792 56.400 0.055 0.000 0.803 176 E CB -0.438 29.293 29.700 0.052 0.000 0.755 176 E HN 0.210 nan 8.360 nan 0.000 0.453 177 V N 1.543 121.479 119.914 0.037 0.000 2.287 177 V HA -0.281 3.840 4.120 0.001 0.000 0.248 177 V C 2.473 178.596 176.094 0.048 0.000 1.053 177 V CA 2.106 64.417 62.300 0.018 0.000 1.027 177 V CB -0.564 31.284 31.823 0.041 0.000 0.646 177 V HN 0.249 nan 8.190 nan 0.000 0.447 178 R N -0.161 120.380 120.500 0.067 0.000 2.081 178 R HA -0.124 4.217 4.340 0.001 0.000 0.235 178 R C 2.337 178.683 176.300 0.076 0.000 1.131 178 R CA 1.400 57.552 56.100 0.086 0.000 0.960 178 R CB -0.855 29.509 30.300 0.106 0.000 0.856 178 R HN 0.462 nan 8.270 nan 0.000 0.436 179 R N 0.728 121.271 120.500 0.071 0.000 2.083 179 R HA -0.113 4.228 4.340 0.001 0.000 0.237 179 R C 2.172 178.525 176.300 0.089 0.000 1.137 179 R CA 1.787 57.928 56.100 0.069 0.000 0.951 179 R CB -0.170 30.169 30.300 0.065 0.000 0.851 179 R HN 0.042 nan 8.270 nan 0.000 0.434 180 V N 0.832 120.807 119.914 0.102 0.000 2.358 180 V HA -0.200 3.921 4.120 0.001 0.000 0.246 180 V C 2.523 178.733 176.094 0.194 0.000 1.047 180 V CA 1.785 64.185 62.300 0.166 0.000 1.035 180 V CB -0.814 31.053 31.823 0.074 0.000 0.658 180 V HN 0.487 nan 8.190 nan 0.000 0.452 181 A N 0.346 123.228 122.820 0.102 0.000 1.883 181 A HA -0.258 4.063 4.320 0.001 0.000 0.217 181 A C 2.017 179.646 177.584 0.075 0.000 1.186 181 A CA 2.126 54.213 52.037 0.082 0.000 0.624 181 A CB -0.660 18.378 19.000 0.064 0.000 0.822 181 A HN 0.555 nan 8.150 nan 0.000 0.444 182 D N -0.511 119.923 120.400 0.057 0.000 2.097 182 D HA -0.151 4.490 4.640 0.001 0.000 0.197 182 D C 1.878 178.172 176.300 -0.011 0.000 0.984 182 D CA 1.569 55.579 54.000 0.016 0.000 0.826 182 D CB -0.355 40.455 40.800 0.017 0.000 0.973 182 D HN 0.601 nan 8.370 nan 0.000 0.460 183 K N -0.099 120.299 120.400 -0.003 0.000 2.103 183 K HA -0.171 4.149 4.320 0.001 0.000 0.207 183 K C 1.073 177.487 176.600 -0.310 0.000 1.048 183 K CA 1.148 57.340 56.287 -0.159 0.000 0.930 183 K CB -0.036 32.352 32.500 -0.185 0.000 0.716 183 K HN 0.192 nan 8.250 nan 0.000 0.444 184 Y N 0.542 120.822 120.300 -0.034 0.000 2.507 184 Y HA 0.238 4.788 4.550 0.001 0.000 0.254 184 Y C -0.123 175.738 175.900 -0.065 0.000 1.171 184 Y CA -0.479 57.596 58.100 -0.041 0.000 1.238 184 Y CB 0.410 38.851 38.460 -0.031 0.000 1.148 184 Y HN 0.086 nan 8.280 nan 0.000 0.525 185 N N 0.909 119.619 118.700 0.017 0.000 2.740 185 N HA -0.193 4.547 4.740 0.001 0.000 0.248 185 N C -0.878 174.555 175.510 -0.129 0.000 1.062 185 N CA 0.672 53.673 53.050 -0.082 0.000 0.704 185 N CB -1.493 36.931 38.487 -0.106 0.000 0.968 185 N HN 0.369 nan 8.380 nan 0.000 0.547 186 L N -0.582 120.613 121.223 -0.047 0.000 2.375 186 L HA 0.392 4.733 4.340 0.001 0.000 0.271 186 L C 0.983 177.831 176.870 -0.036 0.000 1.107 186 L CA -0.773 54.048 54.840 -0.032 0.000 0.806 186 L CB 0.436 42.517 42.059 0.037 0.000 1.146 186 L HN 0.035 nan 8.230 nan 0.000 0.447 187 W N 2.564 123.870 121.300 0.011 0.000 2.202 187 W HA 0.419 5.079 4.660 0.001 0.000 0.332 187 W C -0.300 176.217 176.519 -0.003 0.000 1.263 187 W CA -0.221 57.129 57.345 0.007 0.000 1.223 187 W CB 0.770 30.226 29.460 -0.006 0.000 1.128 187 W HN 0.169 nan 8.180 nan 0.000 0.573 188 L N 4.874 126.276 121.223 0.298 0.000 2.372 188 L HA 0.556 4.897 4.340 0.001 0.000 0.274 188 L C -1.160 175.789 176.870 0.132 0.000 0.988 188 L CA -0.762 54.178 54.840 0.166 0.000 0.833 188 L CB 0.776 42.927 42.059 0.154 0.000 1.236 188 L HN 0.318 nan 8.230 nan 0.000 0.410 189 I N 4.434 125.038 120.570 0.056 0.000 2.355 189 I HA 0.330 4.501 4.170 0.001 0.000 0.288 189 I C -0.171 175.952 176.117 0.010 0.000 0.999 189 I CA -0.465 60.836 61.300 0.001 0.000 1.163 189 I CB 1.518 39.479 38.000 -0.065 0.000 1.316 189 I HN 0.587 nan 8.210 nan 0.000 0.454 190 E N 5.022 125.242 120.200 0.034 0.000 2.089 190 E HA 0.079 4.429 4.350 0.001 0.000 0.284 190 E C -0.825 175.772 176.600 -0.005 0.000 1.023 190 E CA -0.461 55.980 56.400 0.069 0.000 0.819 190 E CB 1.057 30.859 29.700 0.170 0.000 1.076 190 E HN 0.358 nan 8.360 nan 0.000 0.396 191 D N 3.343 123.731 120.400 -0.020 0.000 2.393 191 D HA 0.067 4.707 4.640 0.001 0.000 0.232 191 D C -0.394 175.927 176.300 0.034 0.000 1.192 191 D CA -0.501 53.480 54.000 -0.032 0.000 0.882 191 D CB 0.339 41.111 40.800 -0.046 0.000 1.038 191 D HN 0.365 nan 8.370 nan 0.000 0.499 192 C N 3.433 122.787 119.300 0.091 0.000 2.668 192 C HA 0.140 4.600 4.460 0.001 0.000 0.301 192 C C 2.389 177.460 174.990 0.135 0.000 1.351 192 C CA -0.620 58.509 59.018 0.186 0.000 1.757 192 C CB -1.563 26.361 27.740 0.307 0.000 2.179 192 C HN 0.741 nan 8.230 nan 0.000 0.586 193 C N 1.416 120.742 119.300 0.043 0.000 2.403 193 C HA -0.145 4.315 4.460 0.001 0.000 0.282 193 C C 1.660 176.776 174.990 0.210 0.000 1.297 193 C CA 1.547 60.583 59.018 0.029 0.000 1.785 193 C CB -0.791 26.884 27.740 -0.109 0.000 1.963 193 C HN 0.641 nan 8.230 nan 0.000 0.507 194 D N -0.806 119.646 120.400 0.087 0.000 2.440 194 D HA 0.270 4.911 4.640 0.001 0.000 0.216 194 D C 0.889 177.384 176.300 0.324 0.000 1.150 194 D CA 0.346 54.406 54.000 0.100 0.000 0.832 194 D CB 0.184 40.666 40.800 -0.530 0.000 0.992 194 D HN 0.449 nan 8.370 nan 0.000 0.502 195 A N 0.643 123.576 122.820 0.189 0.000 2.643 195 A HA 0.236 4.556 4.320 0.001 0.000 0.295 195 A C 0.178 177.698 177.584 -0.107 0.000 1.065 195 A CA -0.453 51.615 52.037 0.052 0.000 0.986 195 A CB 0.006 19.027 19.000 0.034 0.000 1.212 195 A HN 0.113 nan 8.150 nan 0.000 0.516 196 L N 1.005 122.078 121.223 -0.250 0.000 2.562 196 L HA 0.484 4.824 4.340 0.001 0.000 0.271 196 L C 1.157 177.903 176.870 -0.207 0.000 1.167 196 L CA 1.999 56.744 54.840 -0.158 0.000 0.917 196 L CB -0.108 41.935 42.059 -0.026 0.000 1.187 196 L HN 0.889 nan 8.230 nan 0.000 0.482 197 G N 2.260 111.072 108.800 0.020 0.000 2.238 197 G HA2 -0.238 3.722 3.960 0.001 0.000 0.217 197 G HA3 -0.238 3.722 3.960 0.001 0.000 0.217 197 G C 0.513 175.388 174.900 -0.042 0.000 0.996 197 G CA 0.094 45.240 45.100 0.077 0.000 0.632 197 G HN 0.785 nan 8.290 nan 0.000 0.503 198 S N 1.135 116.768 115.700 -0.112 0.000 2.579 198 S HA 0.567 5.037 4.470 0.001 0.000 0.275 198 S C 0.579 175.088 174.600 -0.152 0.000 1.345 198 S CA 0.863 58.959 58.200 -0.173 0.000 1.031 198 S CB 1.281 64.318 63.200 -0.271 0.000 0.892 198 S HN 1.417 nan 8.310 nan 0.000 0.529 199 T N -0.045 114.423 114.554 -0.142 0.000 2.896 199 T HA 0.631 4.982 4.350 0.001 0.000 0.297 199 T C -1.452 173.225 174.700 -0.039 0.000 1.108 199 T CA -0.710 61.356 62.100 -0.058 0.000 1.004 199 T CB 1.312 70.154 68.868 -0.043 0.000 1.159 199 T HN 0.531 nan 8.240 nan 0.000 0.499 200 Y N 1.019 121.273 120.300 -0.078 0.000 2.354 200 Y HA 0.449 5.000 4.550 0.001 0.000 0.330 200 Y C 0.088 176.019 175.900 0.051 0.000 1.011 200 Y CA -0.457 57.564 58.100 -0.132 0.000 1.099 200 Y CB 1.626 39.834 38.460 -0.421 0.000 1.179 200 Y HN 1.072 nan 8.280 nan 0.000 0.442 201 D N 4.358 124.580 120.400 -0.297 0.000 2.837 201 D HA -0.187 4.454 4.640 0.001 0.000 0.230 201 D C 1.126 177.444 176.300 0.031 0.000 1.152 201 D CA 2.400 56.334 54.000 -0.109 0.000 0.736 201 D CB -1.071 39.783 40.800 0.090 0.000 1.084 201 D HN 1.445 nan 8.370 nan 0.000 0.429 202 G N -0.510 108.290 108.800 0.000 0.000 2.212 202 G HA2 -0.399 3.562 3.960 0.001 0.000 0.266 202 G HA3 -0.399 3.562 3.960 0.001 0.000 0.266 202 G C 0.368 175.281 174.900 0.022 0.000 0.978 202 G CA 0.712 45.813 45.100 0.002 0.000 0.632 202 G HN 0.705 nan 8.290 nan 0.000 0.537 203 K N 0.224 120.695 120.400 0.118 0.000 2.185 203 K HA 0.651 4.972 4.320 0.001 0.000 0.269 203 K C 0.686 177.359 176.600 0.121 0.000 0.987 203 K CA -1.084 55.228 56.287 0.042 0.000 0.865 203 K CB 0.623 33.038 32.500 -0.143 0.000 1.090 203 K HN 0.073 nan 8.250 nan 0.000 0.450 204 M N 3.789 123.368 119.600 -0.035 0.000 2.290 204 M HA 0.004 4.484 4.480 0.001 0.000 0.356 204 M C -0.480 175.884 176.300 0.106 0.000 1.448 204 M CA 0.587 55.860 55.300 -0.046 0.000 0.993 204 M CB 0.295 32.783 32.600 -0.186 0.000 1.934 204 M HN 0.673 nan 8.290 nan 0.000 0.461 205 A N 4.356 127.219 122.820 0.071 0.000 2.498 205 A HA 0.466 4.786 4.320 0.001 0.000 0.239 205 A C 1.293 179.018 177.584 0.235 0.000 1.068 205 A CA 0.335 52.424 52.037 0.086 0.000 0.766 205 A CB -0.800 18.059 19.000 -0.234 0.000 1.003 205 A HN 1.881 nan 8.150 nan 0.000 0.497 206 G N 0.871 109.911 108.800 0.399 0.000 2.176 206 G HA2 -0.205 3.755 3.960 0.001 0.000 0.232 206 G HA3 -0.205 3.755 3.960 0.001 0.000 0.232 206 G C 0.740 175.933 174.900 0.489 0.000 0.986 206 G CA 1.109 46.519 45.100 0.517 0.000 0.643 206 G HN 2.087 nan 8.290 nan 0.000 0.522 207 T N -2.567 112.173 114.554 0.309 0.000 3.085 207 T HA 0.548 4.898 4.350 0.001 0.000 0.264 207 T C 1.497 176.185 174.700 -0.020 0.000 1.019 207 T CA 0.604 62.765 62.100 0.101 0.000 0.910 207 T CB -0.194 68.618 68.868 -0.094 0.000 1.059 207 T HN 0.130 nan 8.240 nan 0.000 0.542 208 F N 2.056 122.060 119.950 0.089 0.000 2.582 208 F HA 0.490 5.018 4.527 0.001 0.000 0.290 208 F C 1.894 177.750 175.800 0.092 0.000 1.115 208 F CA -0.363 57.677 58.000 0.067 0.000 1.445 208 F CB -0.327 38.688 39.000 0.025 0.000 1.126 208 F HN 0.355 nan 8.300 nan 0.000 0.574 209 G N -0.597 108.387 108.800 0.307 0.000 2.537 209 G HA2 0.120 4.080 3.960 0.001 0.000 0.297 209 G HA3 0.120 4.080 3.960 0.001 0.000 0.297 209 G C 0.310 175.326 174.900 0.194 0.000 1.310 209 G CA -0.296 44.941 45.100 0.228 0.000 1.027 209 G HN 0.023 nan 8.290 nan 0.000 0.505 210 D N -0.978 119.546 120.400 0.206 0.000 2.149 210 D HA 0.010 4.651 4.640 0.001 0.000 0.201 210 D C 0.668 177.052 176.300 0.140 0.000 0.972 210 D CA 1.224 55.364 54.000 0.232 0.000 0.835 210 D CB 0.523 41.575 40.800 0.421 0.000 0.966 210 D HN 0.141 nan 8.370 nan 0.000 0.476 211 I N -0.276 120.330 120.570 0.060 0.000 2.722 211 I HA 0.409 4.580 4.170 0.001 0.000 0.295 211 I C -0.074 175.938 176.117 -0.175 0.000 1.161 211 I CA -0.902 60.360 61.300 -0.063 0.000 1.032 211 I CB 2.705 40.630 38.000 -0.125 0.000 1.244 211 I HN -0.221 nan 8.210 nan 0.000 0.421 212 G N 1.965 110.464 108.800 -0.502 0.000 2.519 212 G HA2 0.794 4.754 3.960 0.001 0.000 0.307 212 G HA3 0.794 4.754 3.960 0.001 0.000 0.307 212 G C -0.970 173.144 174.900 -1.310 0.000 1.266 212 G CA -0.499 44.077 45.100 -0.874 0.000 0.970 212 G HN 0.605 nan 8.290 nan 0.000 0.481 213 T N -2.411 111.716 114.554 -0.713 0.000 2.896 213 T HA 0.771 5.121 4.350 0.001 0.000 0.297 213 T C -1.178 173.481 174.700 -0.068 0.000 1.108 213 T CA -0.971 60.896 62.100 -0.389 0.000 1.004 213 T CB 1.922 70.644 68.868 -0.242 0.000 1.159 213 T HN 1.336 nan 8.240 nan 0.000 0.499 214 V N 0.396 120.289 119.914 -0.036 0.000 3.120 214 V HA 0.833 4.953 4.120 0.001 0.000 0.303 214 V C -1.004 174.837 176.094 -0.422 0.000 1.238 214 V CA -0.383 61.878 62.300 -0.065 0.000 1.008 214 V CB 2.341 34.262 31.823 0.163 0.000 1.064 214 V HN 1.353 nan 8.190 nan 0.000 0.434 215 S N 3.775 119.206 115.700 -0.448 0.000 2.537 215 S HA 0.707 5.177 4.470 0.001 0.000 0.301 215 S C -0.543 173.690 174.600 -0.611 0.000 1.092 215 S CA -0.441 57.370 58.200 -0.650 0.000 1.048 215 S CB 1.320 64.083 63.200 -0.729 0.000 1.053 215 S HN 0.611 nan 8.310 nan 0.000 0.501 216 F N 2.390 122.286 119.950 -0.089 0.000 2.764 216 F HA 0.297 4.824 4.527 0.001 0.000 0.310 216 F C 0.016 175.828 175.800 0.019 0.000 1.124 216 F CA -0.883 57.123 58.000 0.010 0.000 1.252 216 F CB 0.266 39.270 39.000 0.007 0.000 1.010 216 F HN 0.573 nan 8.300 nan 0.000 0.518 217 Y N 3.237 123.502 120.300 -0.058 0.000 2.457 217 Y HA 0.121 4.671 4.550 0.001 0.000 0.341 217 Y C -1.577 174.441 175.900 0.197 0.000 1.240 217 Y CA -2.193 55.936 58.100 0.049 0.000 1.437 217 Y CB 0.731 39.198 38.460 0.012 0.000 1.328 217 Y HN -0.102 nan 8.280 nan 0.000 0.588 218 P HA -0.243 nan 4.420 nan 0.000 0.217 218 P C 0.573 177.837 177.300 -0.059 0.000 1.148 218 P CA 2.727 65.689 63.100 -0.230 0.000 0.834 218 P CB -0.017 31.448 31.700 -0.392 0.000 0.783 219 A N -2.640 120.259 122.820 0.131 0.000 2.239 219 A HA -0.054 4.266 4.320 0.001 0.000 0.209 219 A C 0.597 178.095 177.584 -0.142 0.000 1.171 219 A CA 0.877 52.954 52.037 0.067 0.000 0.768 219 A CB -1.103 18.097 19.000 0.333 0.000 0.790 219 A HN 0.246 nan 8.150 nan 0.000 0.478 220 H N -3.074 116.009 119.070 0.021 0.000 2.810 220 H HA 0.427 4.983 4.556 0.001 0.000 0.316 220 H C 1.127 176.471 175.328 0.027 0.000 1.426 220 H CA -0.608 55.526 56.048 0.144 0.000 1.413 220 H CB 0.515 30.511 29.762 0.390 0.000 1.874 220 H HN 0.210 nan 8.280 nan 0.000 0.737 221 H N -0.288 118.972 119.070 0.316 0.000 2.321 221 H HA -0.025 4.532 4.556 0.001 0.000 0.300 221 H C 0.506 175.996 175.328 0.270 0.000 1.087 221 H CA 1.973 58.162 56.048 0.234 0.000 1.319 221 H CB 0.258 30.206 29.762 0.309 0.000 1.379 221 H HN 0.395 nan 8.280 nan 0.000 0.501 222 I N -2.539 118.317 120.570 0.477 0.000 2.969 222 I HA 0.499 4.670 4.170 0.001 0.000 0.307 222 I C -0.410 175.902 176.117 0.324 0.000 1.149 222 I CA -0.860 60.657 61.300 0.362 0.000 1.008 222 I CB 2.966 41.139 38.000 0.288 0.000 1.232 222 I HN -0.222 nan 8.210 nan 0.000 0.435 223 T N 2.811 117.466 114.554 0.169 0.000 2.901 223 T HA 0.627 4.977 4.350 0.001 0.000 0.293 223 T C -0.225 174.470 174.700 -0.009 0.000 1.084 223 T CA -0.663 61.511 62.100 0.122 0.000 1.008 223 T CB 1.945 70.847 68.868 0.056 0.000 1.170 223 T HN 0.806 nan 8.240 nan 0.000 0.509 224 M N 1.753 121.355 119.600 0.003 0.000 2.327 224 M HA 0.288 4.769 4.480 0.001 0.000 0.365 224 M C 1.387 177.668 176.300 -0.032 0.000 0.992 224 M CA 0.251 55.508 55.300 -0.073 0.000 0.985 224 M CB 0.974 33.511 32.600 -0.104 0.000 1.673 224 M HN 0.970 nan 8.290 nan 0.000 0.586 225 G N 1.454 110.238 108.800 -0.026 0.000 3.586 225 G HA2 -0.168 3.792 3.960 0.001 0.000 0.212 225 G HA3 -0.168 3.792 3.960 0.001 0.000 0.212 225 G C -0.012 174.879 174.900 -0.015 0.000 1.411 225 G CA -0.225 44.842 45.100 -0.056 0.000 0.898 225 G HN 0.399 nan 8.290 nan 0.000 0.575 226 E N 1.050 121.282 120.200 0.054 0.000 2.274 226 E HA 0.597 4.947 4.350 0.001 0.000 0.269 226 E C 0.006 176.671 176.600 0.108 0.000 0.891 226 E CA 0.294 56.767 56.400 0.122 0.000 0.784 226 E CB 1.374 31.139 29.700 0.108 0.000 1.225 226 E HN 1.575 nan 8.360 nan 0.000 0.412 227 G N 0.554 109.438 108.800 0.140 0.000 2.338 227 G HA2 0.592 4.552 3.960 0.001 0.000 0.295 227 G HA3 0.592 4.552 3.960 0.001 0.000 0.295 227 G C -0.914 174.040 174.900 0.089 0.000 1.461 227 G CA -0.003 45.203 45.100 0.176 0.000 0.817 227 G HN 0.646 nan 8.290 nan 0.000 0.556 228 G N -1.651 107.173 108.800 0.041 0.000 2.550 228 G HA2 1.001 4.962 3.960 0.001 0.000 0.293 228 G HA3 1.001 4.962 3.960 0.001 0.000 0.293 228 G C -1.131 173.722 174.900 -0.079 0.000 1.402 228 G CA 0.441 45.293 45.100 -0.413 0.000 0.784 228 G HN 2.163 nan 8.290 nan 0.000 0.482 229 A N -1.109 121.647 122.820 -0.106 0.000 2.572 229 A HA 0.825 5.145 4.320 0.001 0.000 0.295 229 A C -1.414 176.247 177.584 0.128 0.000 1.072 229 A CA -0.536 51.624 52.037 0.206 0.000 0.691 229 A CB 1.911 21.240 19.000 0.548 0.000 1.291 229 A HN 1.556 nan 8.150 nan 0.000 0.404 230 V N 1.739 121.733 119.914 0.133 0.000 2.555 230 V HA 0.778 4.899 4.120 0.001 0.000 0.302 230 V C -0.884 175.290 176.094 0.134 0.000 1.038 230 V CA -0.355 61.926 62.300 -0.031 0.000 0.887 230 V CB 0.964 32.755 31.823 -0.054 0.000 0.991 230 V HN 0.936 nan 8.190 nan 0.000 0.434 231 F N 1.410 121.412 119.950 0.086 0.000 2.613 231 F HA 0.949 5.477 4.527 0.001 0.000 0.314 231 F C -0.385 175.483 175.800 0.115 0.000 1.075 231 F CA -0.753 57.315 58.000 0.114 0.000 0.945 231 F CB 2.125 41.191 39.000 0.111 0.000 1.310 231 F HN 0.505 nan 8.300 nan 0.000 0.467 232 T N -0.451 114.336 114.554 0.388 0.000 2.718 232 T HA 0.284 4.634 4.350 0.001 0.000 0.306 232 T C -0.780 174.123 174.700 0.340 0.000 1.485 232 T CA -0.415 61.864 62.100 0.297 0.000 0.997 232 T CB 2.046 71.032 68.868 0.196 0.000 1.504 232 T HN 0.850 nan 8.240 nan 0.000 0.497 233 Q N 0.388 120.354 119.800 0.277 0.000 2.247 233 Q HA 0.292 4.632 4.340 0.001 0.000 0.211 233 Q C 0.194 176.397 176.000 0.337 0.000 0.861 233 Q CA -0.153 55.797 55.803 0.246 0.000 0.949 233 Q CB 0.997 29.815 28.738 0.132 0.000 1.115 233 Q HN 0.418 nan 8.270 nan 0.000 0.507 234 S N -0.176 115.706 115.700 0.304 0.000 2.457 234 S HA 0.475 4.946 4.470 0.001 0.000 0.289 234 S C 0.801 175.434 174.600 0.055 0.000 1.163 234 S CA -0.186 58.140 58.200 0.209 0.000 1.078 234 S CB 1.372 64.669 63.200 0.163 0.000 0.987 234 S HN 0.316 nan 8.310 nan 0.000 0.482 235 A N 4.065 126.879 122.820 -0.009 0.000 1.969 235 A HA -0.017 4.304 4.320 0.001 0.000 0.218 235 A C 1.945 179.409 177.584 -0.201 0.000 1.169 235 A CA 1.504 53.332 52.037 -0.348 0.000 0.635 235 A CB -0.705 18.231 19.000 -0.107 0.000 0.810 235 A HN 0.961 nan 8.150 nan 0.000 0.445 236 E N 0.134 120.308 120.200 -0.045 0.000 2.051 236 E HA -0.178 4.173 4.350 0.001 0.000 0.192 236 E C 1.911 178.506 176.600 -0.009 0.000 0.991 236 E CA 1.266 57.667 56.400 0.001 0.000 0.799 236 E CB -0.236 29.502 29.700 0.064 0.000 0.748 236 E HN 0.620 nan 8.360 nan 0.000 0.449 237 L N 0.983 122.206 121.223 -0.001 0.000 2.046 237 L HA -0.185 4.155 4.340 0.001 0.000 0.208 237 L C 2.923 179.766 176.870 -0.046 0.000 1.077 237 L CA 1.155 55.984 54.840 -0.018 0.000 0.747 237 L CB -0.712 41.346 42.059 -0.000 0.000 0.896 237 L HN 0.153 nan 8.230 nan 0.000 0.432 238 K N 0.524 120.860 120.400 -0.107 0.000 2.044 238 K HA -0.202 4.118 4.320 0.001 0.000 0.210 238 K C 2.109 178.657 176.600 -0.086 0.000 1.049 238 K CA 2.188 58.391 56.287 -0.139 0.000 0.927 238 K CB -0.200 32.027 32.500 -0.455 0.000 0.713 238 K HN 0.188 nan 8.250 nan 0.000 0.443 239 S N 0.967 116.611 115.700 -0.094 0.000 2.382 239 S HA -0.058 4.413 4.470 0.001 0.000 0.228 239 S C 2.061 176.670 174.600 0.015 0.000 1.027 239 S CA 1.203 59.386 58.200 -0.028 0.000 0.991 239 S CB -0.148 63.043 63.200 -0.015 0.000 0.823 239 S HN 0.296 nan 8.310 nan 0.000 0.469 240 I N 1.386 121.963 120.570 0.012 0.000 2.163 240 I HA -0.154 4.016 4.170 0.001 0.000 0.240 240 I C 2.003 178.151 176.117 0.052 0.000 1.081 240 I CA 0.826 62.125 61.300 -0.003 0.000 1.353 240 I CB -0.402 37.600 38.000 0.003 0.000 1.054 240 I HN 0.241 nan 8.210 nan 0.000 0.407 241 I N 0.910 121.511 120.570 0.051 0.000 2.091 241 I HA -0.358 3.813 4.170 0.001 0.000 0.239 241 I C 2.557 178.731 176.117 0.094 0.000 1.061 241 I CA 1.872 63.212 61.300 0.068 0.000 1.317 241 I CB -1.383 36.627 38.000 0.016 0.000 1.031 241 I HN 0.407 nan 8.210 nan 0.000 0.401 242 E N 0.615 120.850 120.200 0.058 0.000 2.097 242 E HA -0.271 4.079 4.350 0.001 0.000 0.196 242 E C 2.400 179.040 176.600 0.066 0.000 1.000 242 E CA 2.041 58.476 56.400 0.058 0.000 0.804 242 E CB -0.002 29.726 29.700 0.047 0.000 0.740 242 E HN 0.370 nan 8.360 nan 0.000 0.454 243 S N -0.834 114.901 115.700 0.058 0.000 2.356 243 S HA -0.152 4.319 4.470 0.001 0.000 0.223 243 S C 1.694 176.323 174.600 0.048 0.000 1.032 243 S CA 1.194 59.427 58.200 0.054 0.000 1.005 243 S CB -0.426 62.828 63.200 0.091 0.000 0.867 243 S HN 0.358 nan 8.310 nan 0.000 0.449 244 F N 1.810 121.768 119.950 0.013 0.000 2.216 244 F HA 0.120 4.647 4.527 0.001 0.000 0.300 244 F C 2.621 178.467 175.800 0.077 0.000 1.085 244 F CA 1.290 59.318 58.000 0.045 0.000 1.326 244 F CB -0.331 38.664 39.000 -0.008 0.000 1.027 244 F HN 0.193 nan 8.300 nan 0.000 0.497 245 R N 0.248 120.859 120.500 0.186 0.000 2.115 245 R HA -0.077 4.263 4.340 0.001 0.000 0.226 245 R C -0.115 176.116 176.300 -0.116 0.000 1.100 245 R CA 1.228 57.352 56.100 0.041 0.000 0.980 245 R CB -0.147 30.154 30.300 0.002 0.000 0.875 245 R HN 0.086 nan 8.270 nan 0.000 0.445 246 D N -0.117 120.233 120.400 -0.084 0.000 2.973 246 D HA 0.039 4.679 4.640 0.001 0.000 0.263 246 D C -0.129 176.231 176.300 0.099 0.000 1.266 246 D CA -0.122 53.738 54.000 -0.233 0.000 0.975 246 D CB -0.232 40.559 40.800 -0.014 0.000 1.032 246 D HN 0.244 nan 8.370 nan 0.000 0.510 247 W N 0.433 121.833 121.300 0.166 0.000 2.323 247 W HA -0.277 4.384 4.660 0.001 0.000 0.261 247 W C 1.302 177.933 176.519 0.187 0.000 1.029 247 W CA 0.576 58.019 57.345 0.162 0.000 0.499 247 W CB -2.083 27.519 29.460 0.237 0.000 2.045 247 W HN 0.529 nan 8.180 nan 0.000 1.374 248 G N 0.798 109.779 108.800 0.303 0.000 2.143 248 G HA2 -0.348 3.612 3.960 0.001 0.000 0.248 248 G HA3 -0.348 3.612 3.960 0.001 0.000 0.248 248 G C 0.483 175.550 174.900 0.277 0.000 0.991 248 G CA 0.568 45.785 45.100 0.195 0.000 0.689 248 G HN 0.578 nan 8.290 nan 0.000 0.522 249 R N 0.325 121.016 120.500 0.318 0.000 2.594 249 R HA 0.477 4.818 4.340 0.001 0.000 0.272 249 R C -0.037 176.230 176.300 -0.055 0.000 1.074 249 R CA -0.245 55.883 56.100 0.047 0.000 1.105 249 R CB 0.904 31.180 30.300 -0.039 0.000 1.008 249 R HN 0.205 nan 8.270 nan 0.000 0.472 250 D N 0.838 121.123 120.400 -0.192 0.000 2.361 250 D HA 0.162 4.802 4.640 0.001 0.000 0.239 250 D C -0.032 176.149 176.300 -0.197 0.000 1.200 250 D CA 0.604 54.508 54.000 -0.159 0.000 0.915 250 D CB 1.108 41.853 40.800 -0.091 0.000 1.170 250 D HN 0.740 nan 8.370 nan 0.000 0.444 270 G N 0.992 109.779 108.800 -0.022 0.000 2.888 270 G HA2 -0.126 3.835 3.960 0.001 0.000 0.441 270 G HA3 -0.126 3.835 3.960 0.001 0.000 0.441 270 G C -0.133 174.748 174.900 -0.031 0.000 1.461 270 G CA 0.057 45.139 45.100 -0.031 0.000 0.897 270 G HN 1.351 nan 8.290 nan 0.000 0.547 271 S N -0.657 115.016 115.700 -0.045 0.000 2.558 271 S HA 0.593 5.063 4.470 0.001 0.000 0.238 271 S C 0.317 174.876 174.600 -0.067 0.000 1.183 271 S CA -0.487 57.689 58.200 -0.040 0.000 1.185 271 S CB 0.049 63.232 63.200 -0.029 0.000 1.003 271 S HN 0.766 nan 8.310 nan 0.000 0.478 272 L N 2.686 123.849 121.223 -0.100 0.000 2.395 272 L HA 0.484 4.825 4.340 0.001 0.000 0.269 272 L C -1.577 175.256 176.870 -0.062 0.000 1.133 272 L CA -1.868 52.861 54.840 -0.185 0.000 0.812 272 L CB 0.122 41.997 42.059 -0.308 0.000 1.125 272 L HN 0.265 nan 8.230 nan 0.000 0.452 273 P HA -0.014 nan 4.420 nan 0.000 0.269 273 P C -0.540 176.864 177.300 0.174 0.000 1.215 273 P CA -0.374 62.790 63.100 0.107 0.000 0.780 273 P CB 0.524 32.309 31.700 0.142 0.000 0.898 274 F N 1.638 121.621 119.950 0.055 0.000 2.602 274 F HA 0.289 4.817 4.527 0.001 0.000 0.367 274 F C 1.477 177.321 175.800 0.073 0.000 1.126 274 F CA 1.509 59.539 58.000 0.051 0.000 1.321 274 F CB -0.153 38.863 39.000 0.026 0.000 1.094 274 F HN 0.741 nan 8.300 nan 0.000 0.594 275 G N 4.032 112.338 108.800 -0.823 0.000 2.221 275 G HA2 -0.364 3.596 3.960 0.001 0.000 0.265 275 G HA3 -0.364 3.596 3.960 0.001 0.000 0.265 275 G C -0.360 174.460 174.900 -0.133 0.000 1.041 275 G CA 0.122 44.907 45.100 -0.525 0.000 0.807 275 G HN 0.945 nan 8.290 nan 0.000 0.502 276 Y N 1.337 121.538 120.300 -0.165 0.000 2.402 276 Y HA 0.359 4.910 4.550 0.001 0.000 0.333 276 Y C 0.936 176.792 175.900 -0.073 0.000 1.076 276 Y CA -0.444 57.615 58.100 -0.068 0.000 1.299 276 Y CB 0.701 39.150 38.460 -0.020 0.000 1.197 276 Y HN 0.275 nan 8.280 nan 0.000 0.517 277 D N 4.861 125.039 120.400 -0.371 0.000 2.662 277 D HA -0.193 4.447 4.640 0.001 0.000 0.233 277 D C 1.217 177.478 176.300 -0.064 0.000 1.129 277 D CA 0.948 54.788 54.000 -0.266 0.000 0.851 277 D CB 0.312 40.840 40.800 -0.454 0.000 1.152 277 D HN 0.889 nan 8.370 nan 0.000 0.507 278 H N 3.792 122.770 119.070 -0.153 0.000 2.421 278 H HA -0.089 4.467 4.556 0.001 0.000 0.298 278 H C 1.273 176.514 175.328 -0.146 0.000 1.087 278 H CA 0.553 56.533 56.048 -0.113 0.000 1.330 278 H CB 0.625 30.325 29.762 -0.104 0.000 1.388 278 H HN 0.245 nan 8.280 nan 0.000 0.526 279 K N 0.387 120.673 120.400 -0.190 0.000 2.360 279 K HA -0.144 4.177 4.320 0.001 0.000 0.201 279 K C 0.452 176.945 176.600 -0.178 0.000 1.046 279 K CA 0.969 57.093 56.287 -0.271 0.000 0.945 279 K CB -0.131 32.148 32.500 -0.369 0.000 0.750 279 K HN 0.607 nan 8.250 nan 0.000 0.464 280 Y N 0.604 120.732 120.300 -0.288 0.000 2.734 280 Y HA 0.140 4.690 4.550 0.001 0.000 0.278 280 Y C -0.045 175.673 175.900 -0.305 0.000 1.108 280 Y CA -0.697 57.224 58.100 -0.298 0.000 1.211 280 Y CB 0.945 39.392 38.460 -0.020 0.000 1.182 280 Y HN -0.231 nan 8.280 nan 0.000 0.547 281 T N 0.304 114.648 114.554 -0.349 0.000 2.786 281 T HA 0.352 4.702 4.350 0.001 0.000 0.283 281 T C -1.176 173.298 174.700 -0.377 0.000 0.992 281 T CA -0.345 61.639 62.100 -0.193 0.000 0.954 281 T CB 0.622 69.526 68.868 0.059 0.000 0.934 281 T HN 0.022 nan 8.240 nan 0.000 0.440 282 Y N 1.655 121.961 120.300 0.010 0.000 2.338 282 Y HA 0.329 4.880 4.550 0.001 0.000 0.328 282 Y C 1.363 177.203 175.900 -0.099 0.000 0.965 282 Y CA -0.987 57.097 58.100 -0.026 0.000 1.208 282 Y CB 1.507 39.963 38.460 -0.006 0.000 1.132 282 Y HN 0.731 nan 8.280 nan 0.000 0.469 283 S N 0.549 116.207 115.700 -0.071 0.000 2.535 283 S HA 0.236 4.706 4.470 0.001 0.000 0.214 283 S C 0.124 174.368 174.600 -0.593 0.000 0.980 283 S CA 0.150 58.164 58.200 -0.309 0.000 0.907 283 S CB 0.007 62.974 63.200 -0.389 0.000 0.790 283 S HN 0.574 nan 8.310 nan 0.000 0.510 284 H N -0.098 118.873 119.070 -0.165 0.000 2.980 284 H HA 0.421 4.977 4.556 0.001 0.000 0.367 284 H C -1.400 173.809 175.328 -0.198 0.000 1.206 284 H CA -1.059 54.773 56.048 -0.359 0.000 1.126 284 H CB 1.614 30.741 29.762 -1.058 0.000 1.838 284 H HN 0.147 nan 8.280 nan 0.000 0.552 285 L N 2.002 123.265 121.223 0.067 0.000 2.363 285 L HA 0.434 4.775 4.340 0.001 0.000 0.286 285 L C 0.394 177.304 176.870 0.068 0.000 1.106 285 L CA 0.257 55.138 54.840 0.068 0.000 0.859 285 L CB -0.261 41.849 42.059 0.085 0.000 1.223 285 L HN 0.711 nan 8.230 nan 0.000 0.446 286 G N 2.979 111.748 108.800 -0.052 0.000 2.644 286 G HA2 0.568 4.528 3.960 0.001 0.000 0.307 286 G HA3 0.568 4.528 3.960 0.001 0.000 0.307 286 G C -1.548 173.233 174.900 -0.198 0.000 1.250 286 G CA -0.408 44.708 45.100 0.027 0.000 0.996 286 G HN 0.458 nan 8.290 nan 0.000 0.489 287 Y N -1.462 118.893 120.300 0.091 0.000 2.857 287 Y HA 0.515 5.066 4.550 0.001 0.000 0.318 287 Y C 0.173 175.988 175.900 -0.143 0.000 1.313 287 Y CA -1.102 57.000 58.100 0.003 0.000 1.117 287 Y CB 1.951 40.403 38.460 -0.013 0.000 1.344 287 Y HN 0.519 nan 8.280 nan 0.000 0.525 288 N N 0.751 119.450 118.700 -0.002 0.000 2.617 288 N HA 0.401 5.142 4.740 0.001 0.000 0.263 288 N C -1.910 173.508 175.510 -0.153 0.000 1.074 288 N CA -0.095 52.765 53.050 -0.318 0.000 0.841 288 N CB 0.351 38.602 38.487 -0.393 0.000 1.221 288 N HN 0.585 nan 8.380 nan 0.000 0.529 289 L N 3.090 124.221 121.223 -0.152 0.000 2.999 289 L HA 0.389 4.730 4.340 0.001 0.000 0.263 289 L C -0.030 176.785 176.870 -0.093 0.000 1.320 289 L CA -0.314 54.461 54.840 -0.108 0.000 0.913 289 L CB 0.249 42.234 42.059 -0.124 0.000 1.296 289 L HN 0.293 nan 8.230 nan 0.000 0.546 290 K N 1.287 121.623 120.400 -0.105 0.000 2.139 290 K HA 0.684 5.004 4.320 0.001 0.000 0.243 290 K C -0.218 176.374 176.600 -0.014 0.000 0.983 290 K CA -0.713 55.539 56.287 -0.058 0.000 0.890 290 K CB 2.535 34.983 32.500 -0.086 0.000 1.090 290 K HN 0.190 nan 8.250 nan 0.000 0.445 291 I N -2.668 117.913 120.570 0.018 0.000 3.237 291 I HA 0.491 4.661 4.170 0.001 0.000 0.308 291 I C 0.156 176.299 176.117 0.044 0.000 1.093 291 I CA -0.874 60.441 61.300 0.026 0.000 1.001 291 I CB 1.805 39.819 38.000 0.024 0.000 1.245 291 I HN 0.575 nan 8.210 nan 0.000 0.485 292 T N -2.354 112.223 114.554 0.039 0.000 2.912 292 T HA 0.275 4.625 4.350 0.001 0.000 0.280 292 T C 0.291 175.040 174.700 0.082 0.000 0.989 292 T CA -0.305 61.831 62.100 0.060 0.000 0.995 292 T CB 1.527 70.417 68.868 0.038 0.000 1.077 292 T HN 0.699 nan 8.240 nan 0.000 0.531 293 D N -0.202 120.287 120.400 0.147 0.000 2.347 293 D HA 0.061 4.701 4.640 0.001 0.000 0.215 293 D C 1.698 178.042 176.300 0.074 0.000 0.976 293 D CA 0.598 54.715 54.000 0.196 0.000 0.884 293 D CB -0.259 40.758 40.800 0.362 0.000 0.915 293 D HN 0.441 nan 8.370 nan 0.000 0.526 294 M N -0.318 119.294 119.600 0.019 0.000 2.132 294 M HA -0.065 4.416 4.480 0.001 0.000 0.263 294 M C 2.074 178.310 176.300 -0.106 0.000 1.065 294 M CA 1.320 56.579 55.300 -0.068 0.000 1.122 294 M CB -0.218 32.359 32.600 -0.038 0.000 1.365 294 M HN -0.052 nan 8.290 nan 0.000 0.411 295 Q N -0.424 119.333 119.800 -0.072 0.000 2.079 295 Q HA -0.056 4.285 4.340 0.001 0.000 0.200 295 Q C 2.277 178.165 176.000 -0.188 0.000 0.974 295 Q CA 1.588 57.328 55.803 -0.106 0.000 0.840 295 Q CB -0.359 28.340 28.738 -0.066 0.000 0.898 295 Q HN 0.603 nan 8.270 nan 0.000 0.430 296 A N 1.029 123.760 122.820 -0.149 0.000 1.933 296 A HA -0.160 4.160 4.320 0.001 0.000 0.218 296 A C 2.273 179.776 177.584 -0.136 0.000 1.175 296 A CA 1.611 53.532 52.037 -0.194 0.000 0.628 296 A CB -0.853 18.160 19.000 0.022 0.000 0.814 296 A HN 0.408 nan 8.150 nan 0.000 0.444 297 A N -0.979 121.738 122.820 -0.171 0.000 1.865 297 A HA -0.240 4.080 4.320 0.001 0.000 0.217 297 A C 2.430 179.882 177.584 -0.219 0.000 1.191 297 A CA 1.753 53.571 52.037 -0.367 0.000 0.623 297 A CB -1.514 16.936 19.000 -0.916 0.000 0.826 297 A HN 0.816 nan 8.150 nan 0.000 0.444 298 C N -0.528 118.647 119.300 -0.209 0.000 2.398 298 C HA -0.059 4.401 4.460 0.001 0.000 0.276 298 C C 2.957 177.873 174.990 -0.123 0.000 1.222 298 C CA 1.445 60.376 59.018 -0.144 0.000 1.746 298 C CB -1.627 26.035 27.740 -0.130 0.000 2.039 298 C HN 0.628 nan 8.230 nan 0.000 0.470 299 G N -0.052 108.610 108.800 -0.230 0.000 2.432 299 G HA2 -0.175 3.785 3.960 0.001 0.000 0.219 299 G HA3 -0.175 3.785 3.960 0.001 0.000 0.219 299 G C 1.483 176.451 174.900 0.113 0.000 1.135 299 G CA 1.021 45.961 45.100 -0.267 0.000 0.767 299 G HN 0.550 nan 8.290 nan 0.000 0.550 300 L N 1.314 122.642 121.223 0.176 0.000 2.046 300 L HA 0.176 4.516 4.340 0.001 0.000 0.208 300 L C 3.045 179.977 176.870 0.103 0.000 1.077 300 L CA 2.031 57.025 54.840 0.258 0.000 0.747 300 L CB -0.771 41.450 42.059 0.271 0.000 0.896 300 L HN 0.228 nan 8.230 nan 0.000 0.432 301 A N -1.158 121.688 122.820 0.044 0.000 1.858 301 A HA -0.243 4.078 4.320 0.001 0.000 0.216 301 A C 2.147 179.728 177.584 -0.004 0.000 1.190 301 A CA 1.697 53.741 52.037 0.012 0.000 0.617 301 A CB -0.694 18.301 19.000 -0.009 0.000 0.827 301 A HN 0.582 nan 8.150 nan 0.000 0.443 302 Q N -0.345 119.464 119.800 0.015 0.000 2.133 302 Q HA -0.194 4.146 4.340 0.001 0.000 0.208 302 Q C 2.136 178.111 176.000 -0.042 0.000 0.991 302 Q CA 1.462 57.285 55.803 0.032 0.000 0.867 302 Q CB -0.563 28.227 28.738 0.087 0.000 0.911 302 Q HN 0.725 nan 8.270 nan 0.000 0.417 303 L N 0.682 121.885 121.223 -0.033 0.000 2.261 303 L HA -0.195 4.146 4.340 0.001 0.000 0.216 303 L C 1.899 178.658 176.870 -0.184 0.000 1.114 303 L CA 0.977 55.735 54.840 -0.136 0.000 0.777 303 L CB -0.269 41.702 42.059 -0.146 0.000 0.910 303 L HN 0.271 nan 8.230 nan 0.000 0.440 304 E N -0.353 119.765 120.200 -0.137 0.000 2.478 304 E HA -0.113 4.238 4.350 0.001 0.000 0.198 304 E C 1.545 178.014 176.600 -0.220 0.000 1.046 304 E CA 0.348 56.663 56.400 -0.142 0.000 0.870 304 E CB 0.222 29.868 29.700 -0.089 0.000 0.818 304 E HN 0.496 nan 8.360 nan 0.000 0.527 305 R N -0.554 119.740 120.500 -0.343 0.000 2.487 305 R HA 0.121 4.461 4.340 0.001 0.000 0.272 305 R C 1.827 177.722 176.300 -0.675 0.000 0.928 305 R CA -0.162 55.574 56.100 -0.606 0.000 1.077 305 R CB 0.066 29.754 30.300 -1.020 0.000 1.265 305 R HN 0.041 nan 8.270 nan 0.000 0.537 306 I N 2.752 123.074 120.570 -0.415 0.000 2.185 306 I HA -0.301 3.870 4.170 0.001 0.000 0.246 306 I C 1.714 177.762 176.117 -0.114 0.000 1.088 306 I CA 1.865 63.019 61.300 -0.244 0.000 1.347 306 I CB -0.008 37.709 38.000 -0.472 0.000 1.041 306 I HN 0.130 nan 8.210 nan 0.000 0.415 307 E N -0.188 119.937 120.200 -0.124 0.000 2.110 307 E HA -0.267 4.084 4.350 0.001 0.000 0.193 307 E C 2.154 178.773 176.600 0.031 0.000 0.988 307 E CA 1.329 57.741 56.400 0.021 0.000 0.804 307 E CB -0.234 29.484 29.700 0.030 0.000 0.745 307 E HN 0.647 nan 8.360 nan 0.000 0.458 308 E N 0.030 120.194 120.200 -0.060 0.000 2.047 308 E HA -0.181 4.169 4.350 0.001 0.000 0.191 308 E C 1.640 178.345 176.600 0.175 0.000 0.987 308 E CA 0.856 57.251 56.400 -0.008 0.000 0.799 308 E CB -0.006 29.614 29.700 -0.132 0.000 0.752 308 E HN 0.171 nan 8.360 nan 0.000 0.449 309 F N 0.758 120.752 119.950 0.073 0.000 2.171 309 F HA -0.134 4.393 4.527 0.001 0.000 0.300 309 F C 2.433 178.324 175.800 0.153 0.000 1.090 309 F CA 0.551 58.616 58.000 0.107 0.000 1.293 309 F CB -1.005 38.069 39.000 0.123 0.000 1.013 309 F HN -0.045 nan 8.300 nan 0.000 0.486 310 V N -0.540 119.588 119.914 0.358 0.000 2.427 310 V HA -0.201 3.919 4.120 0.001 0.000 0.248 310 V C 2.335 178.570 176.094 0.234 0.000 1.051 310 V CA 1.677 64.154 62.300 0.296 0.000 1.048 310 V CB -0.439 31.530 31.823 0.243 0.000 0.666 310 V HN 0.110 nan 8.190 nan 0.000 0.456 311 E N 0.208 120.526 120.200 0.197 0.000 2.107 311 E HA -0.129 4.221 4.350 0.001 0.000 0.191 311 E C 2.200 178.906 176.600 0.177 0.000 0.982 311 E CA 1.012 57.510 56.400 0.163 0.000 0.809 311 E CB -0.221 29.552 29.700 0.121 0.000 0.756 311 E HN 0.515 nan 8.360 nan 0.000 0.459 312 K N 0.126 120.639 120.400 0.188 0.000 2.057 312 K HA -0.076 4.245 4.320 0.001 0.000 0.206 312 K C 2.110 178.819 176.600 0.181 0.000 1.050 312 K CA 1.083 57.470 56.287 0.166 0.000 0.935 312 K CB 0.068 32.666 32.500 0.163 0.000 0.715 312 K HN -0.058 nan 8.250 nan 0.000 0.439 313 R N 0.440 121.070 120.500 0.217 0.000 2.081 313 R HA -0.099 4.242 4.340 0.001 0.000 0.235 313 R C 2.208 178.713 176.300 0.341 0.000 1.131 313 R CA 1.661 57.914 56.100 0.255 0.000 0.960 313 R CB -0.073 30.393 30.300 0.277 0.000 0.856 313 R HN 0.123 nan 8.270 nan 0.000 0.436 314 K N 0.106 120.700 120.400 0.323 0.000 2.148 314 K HA -0.057 4.263 4.320 0.001 0.000 0.204 314 K C 2.100 178.903 176.600 0.338 0.000 1.050 314 K CA 1.249 57.751 56.287 0.358 0.000 0.942 314 K CB -0.042 32.613 32.500 0.257 0.000 0.724 314 K HN 0.153 nan 8.250 nan 0.000 0.446 315 A N 1.799 124.772 122.820 0.255 0.000 1.854 315 A HA -0.151 4.170 4.320 0.001 0.000 0.214 315 A C 1.763 179.471 177.584 0.207 0.000 1.192 315 A CA 1.466 53.635 52.037 0.220 0.000 0.611 315 A CB -0.685 18.422 19.000 0.179 0.000 0.832 315 A HN 0.310 nan 8.150 nan 0.000 0.442 316 N N -1.389 117.416 118.700 0.175 0.000 2.149 316 N HA -0.194 4.546 4.740 0.001 0.000 0.188 316 N C 1.587 177.148 175.510 0.084 0.000 1.019 316 N CA 1.532 54.634 53.050 0.087 0.000 0.857 316 N CB -0.280 38.241 38.487 0.057 0.000 0.997 316 N HN 0.546 nan 8.380 nan 0.000 0.426 317 F N 2.330 122.309 119.950 0.048 0.000 2.075 317 F HA -0.177 4.351 4.527 0.001 0.000 0.297 317 F C 2.428 178.243 175.800 0.026 0.000 1.113 317 F CA 1.455 59.465 58.000 0.016 0.000 1.218 317 F CB -0.153 38.816 39.000 -0.052 0.000 0.984 317 F HN -0.174 nan 8.300 nan 0.000 0.472 318 K N -0.955 119.585 120.400 0.233 0.000 2.032 318 K HA -0.289 4.032 4.320 0.001 0.000 0.209 318 K C 2.260 178.837 176.600 -0.039 0.000 1.048 318 K CA 1.904 58.263 56.287 0.119 0.000 0.927 318 K CB -0.795 31.842 32.500 0.228 0.000 0.712 318 K HN 0.433 nan 8.250 nan 0.000 0.441 319 Y N 1.122 121.329 120.300 -0.156 0.000 2.128 319 Y HA -0.256 4.294 4.550 0.001 0.000 0.284 319 Y C 1.993 177.688 175.900 -0.343 0.000 1.154 319 Y CA 1.683 59.629 58.100 -0.257 0.000 1.149 319 Y CB -0.347 37.867 38.460 -0.409 0.000 0.976 319 Y HN 0.138 nan 8.280 nan 0.000 0.505 320 L N 0.990 122.011 121.223 -0.336 0.000 2.056 320 L HA -0.155 4.185 4.340 0.001 0.000 0.207 320 L C 2.429 178.900 176.870 -0.667 0.000 1.078 320 L CA 2.143 56.618 54.840 -0.608 0.000 0.749 320 L CB -0.934 40.592 42.059 -0.889 0.000 0.901 320 L HN 0.245 nan 8.230 nan 0.000 0.433 321 K N -0.729 119.325 120.400 -0.577 0.000 2.057 321 K HA -0.243 4.078 4.320 0.001 0.000 0.206 321 K C 1.917 178.369 176.600 -0.247 0.000 1.050 321 K CA 1.784 57.895 56.287 -0.293 0.000 0.935 321 K CB -0.265 32.034 32.500 -0.335 0.000 0.715 321 K HN 0.503 nan 8.250 nan 0.000 0.439 322 D N 0.042 120.284 120.400 -0.263 0.000 2.084 322 D HA -0.142 4.498 4.640 0.001 0.000 0.194 322 D C 1.724 177.873 176.300 -0.251 0.000 0.990 322 D CA 1.729 55.600 54.000 -0.214 0.000 0.826 322 D CB -0.108 40.573 40.800 -0.198 0.000 0.971 322 D HN 0.302 nan 8.370 nan 0.000 0.453 323 A N -0.290 122.307 122.820 -0.372 0.000 1.972 323 A HA -0.047 4.273 4.320 0.001 0.000 0.219 323 A C 2.016 179.450 177.584 -0.249 0.000 1.169 323 A CA 0.859 52.688 52.037 -0.347 0.000 0.635 323 A CB -0.661 18.042 19.000 -0.496 0.000 0.810 323 A HN 0.372 nan 8.150 nan 0.000 0.446 324 L N -0.633 120.422 121.223 -0.279 0.000 2.610 324 L HA 0.054 4.394 4.340 0.001 0.000 0.232 324 L C 2.073 178.866 176.870 -0.130 0.000 1.149 324 L CA 1.156 55.858 54.840 -0.230 0.000 0.872 324 L CB -0.526 41.330 42.059 -0.338 0.000 0.992 324 L HN 0.453 nan 8.230 nan 0.000 0.447 325 Q N -0.673 119.053 119.800 -0.124 0.000 2.364 325 Q HA -0.151 4.190 4.340 0.001 0.000 0.209 325 Q C 2.262 178.227 176.000 -0.059 0.000 0.977 325 Q CA 1.352 57.104 55.803 -0.085 0.000 0.885 325 Q CB -0.088 28.599 28.738 -0.086 0.000 0.941 325 Q HN 0.621 nan 8.270 nan 0.000 0.464 326 S N -2.318 113.355 115.700 -0.045 0.000 2.507 326 S HA -0.078 4.392 4.470 0.001 0.000 0.235 326 S C 1.442 176.061 174.600 0.030 0.000 0.988 326 S CA 0.751 58.947 58.200 -0.007 0.000 0.944 326 S CB -0.307 62.900 63.200 0.012 0.000 0.762 326 S HN 0.445 nan 8.310 nan 0.000 0.526 327 C N 1.586 120.905 119.300 0.031 0.000 2.884 327 C HA 0.679 5.139 4.460 0.001 0.000 0.287 327 C C 2.524 177.480 174.990 -0.057 0.000 1.310 327 C CA -0.544 58.508 59.018 0.056 0.000 1.725 327 C CB -1.415 26.422 27.740 0.162 0.000 2.060 327 C HN 0.715 nan 8.230 nan 0.000 0.618 328 A N 0.988 123.759 122.820 -0.082 0.000 2.139 328 A HA -0.210 4.111 4.320 0.001 0.000 0.221 328 A C 1.697 179.167 177.584 -0.190 0.000 1.159 328 A CA 1.830 53.803 52.037 -0.107 0.000 0.662 328 A CB -0.323 18.624 19.000 -0.088 0.000 0.796 328 A HN 0.561 nan 8.150 nan 0.000 0.463 329 D N -1.687 118.504 120.400 -0.348 0.000 2.323 329 D HA 0.028 4.669 4.640 0.001 0.000 0.209 329 D C 0.851 176.727 176.300 -0.706 0.000 0.973 329 D CA 0.884 54.540 54.000 -0.574 0.000 0.874 329 D CB -0.049 40.246 40.800 -0.842 0.000 0.930 329 D HN 0.559 nan 8.370 nan 0.000 0.521 330 F N 0.175 119.968 119.950 -0.261 0.000 2.680 330 F HA 0.276 4.803 4.527 0.001 0.000 0.290 330 F C 1.107 176.813 175.800 -0.156 0.000 1.114 330 F CA -0.272 57.534 58.000 -0.323 0.000 1.333 330 F CB 0.467 38.893 39.000 -0.958 0.000 1.091 330 F HN -0.188 nan 8.300 nan 0.000 0.606 331 I N -2.088 118.504 120.570 0.036 0.000 2.730 331 I HA 0.552 4.722 4.170 0.001 0.000 0.298 331 I C -0.967 175.181 176.117 0.051 0.000 1.089 331 I CA -0.919 60.452 61.300 0.117 0.000 1.041 331 I CB 2.397 40.537 38.000 0.232 0.000 1.235 331 I HN -0.181 nan 8.210 nan 0.000 0.423 332 E N 5.325 125.562 120.200 0.061 0.000 2.115 332 E HA 0.476 4.827 4.350 0.001 0.000 0.282 332 E C -0.998 175.608 176.600 0.010 0.000 0.987 332 E CA -0.631 55.785 56.400 0.027 0.000 0.797 332 E CB 1.880 31.604 29.700 0.040 0.000 1.086 332 E HN 0.461 nan 8.360 nan 0.000 0.397 333 L N 5.363 126.569 121.223 -0.027 0.000 2.395 333 L HA 0.327 4.668 4.340 0.001 0.000 0.269 333 L C -1.779 175.022 176.870 -0.114 0.000 1.133 333 L CA -2.068 52.716 54.840 -0.093 0.000 0.812 333 L CB 0.221 42.236 42.059 -0.074 0.000 1.125 333 L HN 0.333 nan 8.230 nan 0.000 0.452 334 P HA 0.077 nan 4.420 nan 0.000 0.269 334 P C -1.149 176.179 177.300 0.047 0.000 1.209 334 P CA -0.103 62.918 63.100 -0.132 0.000 0.776 334 P CB 0.830 32.228 31.700 -0.504 0.000 0.876 335 E N 0.486 120.800 120.200 0.189 0.000 2.263 335 E HA 0.499 4.850 4.350 0.001 0.000 0.268 335 E C -0.538 176.273 176.600 0.353 0.000 0.884 335 E CA -0.976 55.568 56.400 0.240 0.000 0.766 335 E CB 1.978 31.746 29.700 0.113 0.000 1.196 335 E HN 0.492 nan 8.360 nan 0.000 0.416 336 A N 2.605 125.670 122.820 0.409 0.000 2.483 336 A HA 0.164 4.484 4.320 0.001 0.000 0.238 336 A C 0.345 177.994 177.584 0.108 0.000 1.070 336 A CA 0.102 52.302 52.037 0.271 0.000 0.770 336 A CB 0.218 19.335 19.000 0.194 0.000 1.008 336 A HN 0.547 nan 8.150 nan 0.000 0.497 337 T N 2.015 116.585 114.554 0.026 0.000 2.916 337 T HA 0.138 4.489 4.350 0.001 0.000 0.303 337 T C 0.550 175.246 174.700 -0.007 0.000 1.025 337 T CA 0.134 62.253 62.100 0.032 0.000 1.142 337 T CB 0.200 69.101 68.868 0.056 0.000 0.947 337 T HN 0.736 nan 8.240 nan 0.000 0.544 338 E N 2.997 123.200 120.200 0.004 0.000 2.652 338 E HA -0.158 4.192 4.350 0.001 0.000 0.255 338 E C 0.600 177.110 176.600 -0.149 0.000 0.952 338 E CA 0.162 56.538 56.400 -0.039 0.000 0.947 338 E CB 0.041 29.736 29.700 -0.009 0.000 0.912 338 E HN 0.685 nan 8.360 nan 0.000 0.489 339 N N 2.122 120.711 118.700 -0.185 0.000 2.780 339 N HA -0.210 4.530 4.740 0.001 0.000 0.248 339 N C -1.833 173.379 175.510 -0.497 0.000 1.102 339 N CA 1.203 54.063 53.050 -0.318 0.000 0.697 339 N CB -1.153 37.111 38.487 -0.372 0.000 1.028 339 N HN 0.480 nan 8.380 nan 0.000 0.554 340 S N -1.376 114.139 115.700 -0.308 0.000 2.661 340 S HA 0.628 5.099 4.470 0.001 0.000 0.285 340 S C -1.120 173.377 174.600 -0.172 0.000 1.138 340 S CA -0.657 57.379 58.200 -0.273 0.000 0.855 340 S CB 2.468 65.551 63.200 -0.195 0.000 1.136 340 S HN 0.125 nan 8.310 nan 0.000 0.484 341 D N 1.607 121.906 120.400 -0.168 0.000 2.405 341 D HA 0.437 5.077 4.640 0.001 0.000 0.264 341 D C -2.782 173.388 176.300 -0.217 0.000 1.240 341 D CA -1.588 52.329 54.000 -0.138 0.000 0.893 341 D CB 1.325 42.078 40.800 -0.078 0.000 1.198 341 D HN 0.339 nan 8.370 nan 0.000 0.514 342 P HA 0.084 nan 4.420 nan 0.000 0.271 342 P C -0.088 176.906 177.300 -0.511 0.000 1.216 342 P CA -0.328 62.405 63.100 -0.612 0.000 0.776 342 P CB 1.279 32.255 31.700 -1.207 0.000 0.881 343 S N 3.345 118.868 115.700 -0.295 0.000 3.729 343 S HA 0.181 4.652 4.470 0.001 0.000 0.235 343 S C -0.309 174.373 174.600 0.137 0.000 1.367 343 S CA -0.803 57.389 58.200 -0.013 0.000 0.907 343 S CB -1.109 62.132 63.200 0.068 0.000 1.471 343 S HN 0.235 nan 8.310 nan 0.000 0.476 344 W N 3.213 124.580 121.300 0.111 0.000 2.409 344 W HA 0.014 4.674 4.660 0.001 0.000 0.338 344 W C 1.019 177.642 176.519 0.174 0.000 1.273 344 W CA -0.163 57.249 57.345 0.111 0.000 1.299 344 W CB 0.060 29.548 29.460 0.046 0.000 1.192 344 W HN 0.677 nan 8.180 nan 0.000 0.565 345 F N 2.098 122.178 119.950 0.216 0.000 2.374 345 F HA 0.365 4.892 4.527 0.001 0.000 0.291 345 F C 1.252 177.034 175.800 -0.030 0.000 1.084 345 F CA 1.335 59.315 58.000 -0.033 0.000 1.413 345 F CB 0.068 39.006 39.000 -0.103 0.000 1.099 345 F HN 0.209 nan 8.300 nan 0.000 0.534 346 G N -1.156 107.810 108.800 0.275 0.000 2.645 346 G HA2 0.354 4.315 3.960 0.001 0.000 0.292 346 G HA3 0.354 4.315 3.960 0.001 0.000 0.292 346 G C -2.131 173.013 174.900 0.406 0.000 1.415 346 G CA -0.658 44.608 45.100 0.276 0.000 0.785 346 G HN -0.040 nan 8.290 nan 0.000 0.483 347 F N 2.889 123.007 119.950 0.280 0.000 2.311 347 F HA 0.515 5.042 4.527 0.001 0.000 0.371 347 F C -1.981 173.854 175.800 0.058 0.000 1.083 347 F CA -2.521 55.537 58.000 0.098 0.000 1.113 347 F CB 2.107 41.106 39.000 -0.001 0.000 1.349 347 F HN 0.096 nan 8.300 nan 0.000 0.470 348 P HA 0.274 nan 4.420 nan 0.000 0.281 348 P C -0.756 176.280 177.300 -0.440 0.000 1.252 348 P CA 0.156 63.041 63.100 -0.358 0.000 0.778 348 P CB 1.650 32.963 31.700 -0.645 0.000 0.895 349 I N 2.330 122.601 120.570 -0.500 0.000 2.582 349 I HA 0.303 4.474 4.170 0.001 0.000 0.292 349 I C 0.072 175.991 176.117 -0.330 0.000 1.066 349 I CA -0.517 60.531 61.300 -0.420 0.000 1.053 349 I CB 2.518 40.202 38.000 -0.527 0.000 1.241 349 I HN 0.135 nan 8.210 nan 0.000 0.421 350 T N 6.269 120.818 114.554 -0.009 0.000 2.772 350 T HA 0.373 4.723 4.350 0.001 0.000 0.288 350 T C -0.462 174.349 174.700 0.185 0.000 0.994 350 T CA -0.380 61.795 62.100 0.125 0.000 0.951 350 T CB 1.135 70.121 68.868 0.197 0.000 0.933 350 T HN 0.244 nan 8.240 nan 0.000 0.447 351 L N 4.507 125.898 121.223 0.280 0.000 2.360 351 L HA 0.342 4.683 4.340 0.001 0.000 0.276 351 L C 0.284 177.290 176.870 0.226 0.000 1.121 351 L CA -0.001 55.029 54.840 0.318 0.000 0.845 351 L CB 0.062 42.344 42.059 0.371 0.000 1.143 351 L HN 0.460 nan 8.230 nan 0.000 0.452 352 K N 3.889 124.411 120.400 0.203 0.000 2.401 352 K HA 0.006 4.327 4.320 0.001 0.000 0.278 352 K C 0.754 177.448 176.600 0.156 0.000 1.018 352 K CA 0.042 56.418 56.287 0.148 0.000 0.981 352 K CB 0.738 33.304 32.500 0.111 0.000 0.933 352 K HN 0.602 nan 8.250 nan 0.000 0.477 353 E N 1.310 121.581 120.200 0.117 0.000 2.153 353 E HA -0.190 4.161 4.350 0.001 0.000 0.194 353 E C 0.582 177.244 176.600 0.104 0.000 0.988 353 E CA 1.439 57.903 56.400 0.105 0.000 0.811 353 E CB -0.036 29.710 29.700 0.078 0.000 0.746 353 E HN 0.608 nan 8.360 nan 0.000 0.466 354 D N -0.553 119.906 120.400 0.099 0.000 2.352 354 D HA -0.035 4.606 4.640 0.001 0.000 0.236 354 D C 0.840 177.226 176.300 0.144 0.000 1.148 354 D CA 0.321 54.378 54.000 0.095 0.000 0.844 354 D CB -0.163 40.675 40.800 0.064 0.000 0.933 354 D HN 0.076 nan 8.370 nan 0.000 0.507 355 S N -1.261 114.558 115.700 0.199 0.000 2.496 355 S HA 0.253 4.723 4.470 0.001 0.000 0.224 355 S C 1.971 176.695 174.600 0.206 0.000 0.996 355 S CA 0.212 58.596 58.200 0.305 0.000 0.927 355 S CB -0.381 63.058 63.200 0.398 0.000 0.774 355 S HN 0.588 nan 8.310 nan 0.000 0.524 356 G N 0.359 109.241 108.800 0.136 0.000 2.175 356 G HA2 -0.221 3.739 3.960 0.001 0.000 0.244 356 G HA3 -0.221 3.739 3.960 0.001 0.000 0.244 356 G C 0.134 175.065 174.900 0.051 0.000 0.982 356 G CA 0.321 45.467 45.100 0.076 0.000 0.641 356 G HN 1.650 nan 8.290 nan 0.000 0.527 357 V N -1.954 118.014 119.914 0.091 0.000 3.130 357 V HA 0.978 5.098 4.120 0.001 0.000 0.310 357 V C 0.218 176.375 176.094 0.106 0.000 1.158 357 V CA -0.024 62.323 62.300 0.078 0.000 1.029 357 V CB 1.673 33.549 31.823 0.088 0.000 1.057 357 V HN 1.439 nan 8.190 nan 0.000 0.436 358 S N 1.076 116.823 115.700 0.077 0.000 2.690 358 S HA 0.523 4.994 4.470 0.001 0.000 0.291 358 S C 0.819 175.447 174.600 0.047 0.000 1.138 358 S CA -0.213 58.026 58.200 0.065 0.000 1.013 358 S CB 1.778 65.000 63.200 0.038 0.000 1.053 358 S HN 1.030 nan 8.310 nan 0.000 0.539 359 R N 0.120 120.642 120.500 0.036 0.000 2.105 359 R HA -0.040 4.300 4.340 0.001 0.000 0.239 359 R C 1.789 178.018 176.300 -0.119 0.000 1.135 359 R CA 1.632 57.715 56.100 -0.028 0.000 0.967 359 R CB -0.644 29.672 30.300 0.026 0.000 0.861 359 R HN 0.854 nan 8.270 nan 0.000 0.442 360 I N 1.007 121.538 120.570 -0.064 0.000 2.264 360 I HA -0.297 3.874 4.170 0.001 0.000 0.248 360 I C 1.576 177.645 176.117 -0.080 0.000 1.111 360 I CA 1.276 62.531 61.300 -0.075 0.000 1.382 360 I CB -0.419 37.560 38.000 -0.034 0.000 1.060 360 I HN 0.225 nan 8.210 nan 0.000 0.418 361 D N 0.805 121.182 120.400 -0.039 0.000 2.097 361 D HA -0.167 4.473 4.640 0.001 0.000 0.195 361 D C 2.084 178.358 176.300 -0.044 0.000 0.989 361 D CA 1.203 55.212 54.000 0.016 0.000 0.827 361 D CB -0.228 40.626 40.800 0.089 0.000 0.966 361 D HN 0.207 nan 8.370 nan 0.000 0.456 362 L N 0.902 121.965 121.223 -0.267 0.000 2.056 362 L HA -0.100 4.240 4.340 0.001 0.000 0.207 362 L C 2.288 178.800 176.870 -0.597 0.000 1.078 362 L CA 1.210 55.567 54.840 -0.804 0.000 0.749 362 L CB -0.507 41.012 42.059 -0.900 0.000 0.901 362 L HN -0.166 nan 8.230 nan 0.000 0.433 363 V N 0.015 119.633 119.914 -0.493 0.000 2.343 363 V HA -0.317 3.803 4.120 0.001 0.000 0.247 363 V C 2.671 178.616 176.094 -0.248 0.000 1.051 363 V CA 2.169 64.215 62.300 -0.424 0.000 1.036 363 V CB -0.666 30.941 31.823 -0.360 0.000 0.654 363 V HN 0.534 nan 8.190 nan 0.000 0.451 364 K N -0.734 119.570 120.400 -0.161 0.000 2.103 364 K HA -0.177 4.144 4.320 0.001 0.000 0.204 364 K C 2.135 178.699 176.600 -0.060 0.000 1.052 364 K CA 1.503 57.738 56.287 -0.088 0.000 0.945 364 K CB -0.240 32.236 32.500 -0.041 0.000 0.722 364 K HN 0.389 nan 8.250 nan 0.000 0.443 365 F N 1.769 121.605 119.950 -0.189 0.000 2.075 365 F HA -0.173 4.354 4.527 0.001 0.000 0.297 365 F C 1.667 177.350 175.800 -0.195 0.000 1.113 365 F CA 1.416 59.325 58.000 -0.151 0.000 1.218 365 F CB -0.235 38.690 39.000 -0.125 0.000 0.984 365 F HN -0.050 nan 8.300 nan 0.000 0.472 366 L N 0.042 121.142 121.223 -0.205 0.000 2.042 366 L HA -0.240 4.101 4.340 0.001 0.000 0.210 366 L C 2.283 179.034 176.870 -0.198 0.000 1.076 366 L CA 1.737 56.427 54.840 -0.251 0.000 0.749 366 L CB -0.885 41.030 42.059 -0.240 0.000 0.893 366 L HN 0.194 nan 8.230 nan 0.000 0.432 367 D N 0.298 120.597 120.400 -0.169 0.000 2.104 367 D HA -0.227 4.414 4.640 0.001 0.000 0.194 367 D C 2.041 178.272 176.300 -0.116 0.000 0.994 367 D CA 1.393 55.324 54.000 -0.115 0.000 0.830 367 D CB 0.118 40.857 40.800 -0.102 0.000 0.959 367 D HN 0.245 nan 8.370 nan 0.000 0.452 368 E N -0.610 119.490 120.200 -0.167 0.000 2.160 368 E HA -0.079 4.271 4.350 0.001 0.000 0.195 368 E C 1.558 178.053 176.600 -0.173 0.000 0.991 368 E CA 1.111 57.410 56.400 -0.167 0.000 0.810 368 E CB -0.128 29.450 29.700 -0.204 0.000 0.742 368 E HN 0.307 nan 8.360 nan 0.000 0.466 369 A N 0.227 122.900 122.820 -0.244 0.000 2.302 369 A HA 0.009 4.329 4.320 0.001 0.000 0.219 369 A C 0.170 177.820 177.584 0.110 0.000 1.243 369 A CA 0.134 52.101 52.037 -0.116 0.000 0.856 369 A CB -0.005 18.816 19.000 -0.298 0.000 0.893 369 A HN 0.064 nan 8.150 nan 0.000 0.491 370 K N -1.940 118.485 120.400 0.041 0.000 3.391 370 K HA -0.121 4.199 4.320 0.001 0.000 0.307 370 K C -0.359 176.325 176.600 0.140 0.000 1.304 370 K CA 0.889 57.227 56.287 0.085 0.000 0.904 370 K CB -2.789 29.767 32.500 0.095 0.000 1.293 370 K HN 0.325 nan 8.250 nan 0.000 0.470 371 V N 1.014 120.993 119.914 0.108 0.000 2.350 371 V HA 0.467 4.587 4.120 0.001 0.000 0.276 371 V C 1.329 177.451 176.094 0.046 0.000 1.028 371 V CA -0.238 62.136 62.300 0.124 0.000 0.860 371 V CB 1.510 33.407 31.823 0.123 0.000 0.990 371 V HN 0.337 nan 8.190 nan 0.000 0.453 372 G N 3.697 112.528 108.800 0.052 0.000 2.467 372 G HA2 0.570 4.531 3.960 0.001 0.000 0.257 372 G HA3 0.570 4.531 3.960 0.001 0.000 0.257 372 G C 0.039 174.914 174.900 -0.042 0.000 1.227 372 G CA 0.217 45.310 45.100 -0.010 0.000 0.835 372 G HN 0.826 nan 8.290 nan 0.000 0.556 373 T N -1.128 113.351 114.554 -0.126 0.000 2.864 373 T HA 0.822 5.172 4.350 0.001 0.000 0.299 373 T C -0.739 173.757 174.700 -0.340 0.000 1.166 373 T CA -1.165 60.831 62.100 -0.174 0.000 1.007 373 T CB 2.530 71.313 68.868 -0.142 0.000 1.219 373 T HN 0.532 nan 8.240 nan 0.000 0.506 374 R N 0.461 120.639 120.500 -0.536 0.000 2.707 374 R HA 0.556 4.897 4.340 0.001 0.000 0.272 374 R C -0.874 175.202 176.300 -0.373 0.000 1.011 374 R CA -0.807 54.937 56.100 -0.594 0.000 0.893 374 R CB 1.915 31.519 30.300 -1.159 0.000 1.233 374 R HN 0.719 nan 8.270 nan 0.000 0.464 375 L N 1.121 122.278 121.223 -0.110 0.000 2.454 375 L HA 0.383 4.724 4.340 0.001 0.000 0.256 375 L C 0.652 177.556 176.870 0.057 0.000 1.136 375 L CA -1.090 53.771 54.840 0.035 0.000 0.804 375 L CB 0.371 42.464 42.059 0.056 0.000 1.181 375 L HN 0.291 nan 8.230 nan 0.000 0.469 376 L N 2.525 123.776 121.223 0.047 0.000 2.376 376 L HA 0.141 4.482 4.340 0.001 0.000 0.250 376 L C -0.154 176.690 176.870 -0.044 0.000 1.335 376 L CA 0.515 55.280 54.840 -0.125 0.000 1.214 376 L CB -1.767 40.249 42.059 -0.072 0.000 1.395 376 L HN 0.447 nan 8.230 nan 0.000 0.424 377 F N 0.520 120.660 119.950 0.316 0.000 2.958 377 F HA -0.475 4.053 4.527 0.001 0.000 0.240 377 F C 1.997 177.886 175.800 0.149 0.000 1.487 377 F CA 1.394 59.561 58.000 0.279 0.000 1.873 377 F CB -1.932 37.278 39.000 0.350 0.000 0.531 377 F HN 0.300 nan 8.300 nan 0.000 0.277 378 A N 0.827 123.843 122.820 0.327 0.000 2.121 378 A HA 0.325 4.645 4.320 0.001 0.000 0.218 378 A C 2.327 179.950 177.584 0.065 0.000 1.154 378 A CA 2.962 55.075 52.037 0.127 0.000 0.679 378 A CB -1.338 17.690 19.000 0.047 0.000 0.795 378 A HN 2.289 nan 8.150 nan 0.000 0.458 379 G N -0.211 108.642 108.800 0.089 0.000 5.452 379 G HA2 -0.395 3.565 3.960 0.001 0.000 0.310 379 G HA3 -0.395 3.565 3.960 0.001 0.000 0.310 379 G C 0.294 175.177 174.900 -0.027 0.000 1.392 379 G CA 0.618 45.742 45.100 0.039 0.000 0.942 379 G HN 1.181 nan 8.290 nan 0.000 0.776 380 N N 0.091 118.731 118.700 -0.101 0.000 2.607 380 N HA 0.519 5.259 4.740 0.001 0.000 0.271 380 N C 1.331 176.620 175.510 -0.368 0.000 1.142 380 N CA -0.356 52.557 53.050 -0.228 0.000 0.810 380 N CB 0.655 39.025 38.487 -0.195 0.000 1.306 380 N HN 0.302 nan 8.380 nan 0.000 0.536 381 L N 1.392 122.303 121.223 -0.519 0.000 2.051 381 L HA -0.233 4.108 4.340 0.001 0.000 0.214 381 L C 2.628 178.761 176.870 -1.228 0.000 1.076 381 L CA 2.022 56.392 54.840 -0.784 0.000 0.758 381 L CB -0.698 40.827 42.059 -0.889 0.000 0.890 381 L HN 0.714 nan 8.230 nan 0.000 0.433 382 T N -3.035 110.755 114.554 -1.273 0.000 2.977 382 T HA -0.179 4.172 4.350 0.001 0.000 0.271 382 T C 1.791 176.229 174.700 -0.437 0.000 1.105 382 T CA 0.872 62.343 62.100 -1.047 0.000 1.116 382 T CB -0.246 68.116 68.868 -0.842 0.000 0.878 382 T HN 0.367 nan 8.240 nan 0.000 0.509 383 R N 0.250 120.544 120.500 -0.344 0.000 2.312 383 R HA 0.222 4.562 4.340 0.001 0.000 0.205 383 R C 0.499 176.748 176.300 -0.084 0.000 0.904 383 R CA -0.155 55.855 56.100 -0.149 0.000 1.052 383 R CB 0.185 30.417 30.300 -0.114 0.000 1.014 383 R HN 0.405 nan 8.270 nan 0.000 0.503 384 Q N 1.446 121.166 119.800 -0.133 0.000 2.337 384 Q HA 0.039 4.380 4.340 0.001 0.000 0.270 384 Q C -1.553 174.486 176.000 0.065 0.000 1.002 384 Q CA -1.337 54.461 55.803 -0.007 0.000 0.888 384 Q CB 0.829 29.581 28.738 0.025 0.000 1.222 384 Q HN 0.023 nan 8.270 nan 0.000 0.400 385 P HA -0.216 nan 4.420 nan 0.000 0.216 385 P C 1.057 178.478 177.300 0.202 0.000 1.150 385 P CA 1.660 64.853 63.100 0.154 0.000 0.843 385 P CB -0.222 31.552 31.700 0.123 0.000 0.787 386 Y N -2.647 117.729 120.300 0.127 0.000 2.616 386 Y HA 0.118 4.668 4.550 0.001 0.000 0.296 386 Y C 1.596 177.566 175.900 0.116 0.000 1.154 386 Y CA 0.199 58.359 58.100 0.099 0.000 1.325 386 Y CB -1.448 37.045 38.460 0.055 0.000 1.007 386 Y HN -0.245 nan 8.280 nan 0.000 0.542 387 F N 0.539 120.239 119.950 -0.417 0.000 2.765 387 F HA 0.068 4.595 4.527 0.001 0.000 0.302 387 F C 2.588 178.368 175.800 -0.033 0.000 1.111 387 F CA 0.161 57.948 58.000 -0.356 0.000 1.359 387 F CB -0.494 38.213 39.000 -0.487 0.000 1.097 387 F HN 0.304 nan 8.300 nan 0.000 0.577 388 H N 0.478 119.588 119.070 0.066 0.000 2.292 388 H HA -0.214 4.342 4.556 0.001 0.000 0.292 388 H C 0.699 176.070 175.328 0.071 0.000 1.100 388 H CA 2.360 58.454 56.048 0.077 0.000 1.238 388 H CB 0.132 29.926 29.762 0.053 0.000 1.355 388 H HN 0.199 nan 8.280 nan 0.000 0.484 389 D N 0.443 120.929 120.400 0.143 0.000 2.440 389 D HA 0.113 4.754 4.640 0.001 0.000 0.216 389 D C 0.004 176.310 176.300 0.010 0.000 1.150 389 D CA -0.104 53.936 54.000 0.066 0.000 0.832 389 D CB 0.995 41.872 40.800 0.128 0.000 0.992 389 D HN 0.027 nan 8.370 nan 0.000 0.502 390 V N 1.446 121.344 119.914 -0.027 0.000 2.715 390 V HA -0.012 4.108 4.120 0.001 0.000 0.299 390 V C 0.671 176.813 176.094 0.080 0.000 1.054 390 V CA -0.057 62.185 62.300 -0.096 0.000 1.077 390 V CB 1.416 32.897 31.823 -0.570 0.000 0.972 390 V HN -0.052 nan 8.190 nan 0.000 0.484 391 K N 4.937 125.360 120.400 0.037 0.000 2.253 391 K HA 0.480 4.801 4.320 0.001 0.000 0.277 391 K C -1.104 175.577 176.600 0.134 0.000 1.053 391 K CA -0.403 55.891 56.287 0.011 0.000 0.892 391 K CB 0.543 33.028 32.500 -0.025 0.000 1.102 391 K HN 0.699 nan 8.250 nan 0.000 0.469 392 Y N 0.167 120.513 120.300 0.078 0.000 2.705 392 Y HA 0.565 5.116 4.550 0.001 0.000 0.332 392 Y C -1.322 174.642 175.900 0.107 0.000 1.221 392 Y CA -1.441 56.730 58.100 0.119 0.000 1.059 392 Y CB 1.118 39.801 38.460 0.371 0.000 1.298 392 Y HN 0.307 nan 8.280 nan 0.000 0.459 393 R N 0.995 121.660 120.500 0.275 0.000 2.750 393 R HA 0.742 5.083 4.340 0.001 0.000 0.281 393 R C -1.794 174.712 176.300 0.343 0.000 0.972 393 R CA -1.327 54.876 56.100 0.172 0.000 0.912 393 R CB 2.875 33.205 30.300 0.050 0.000 1.187 393 R HN 0.761 nan 8.270 nan 0.000 0.464 394 V N 1.828 121.904 119.914 0.270 0.000 2.525 394 V HA 0.461 4.582 4.120 0.001 0.000 0.299 394 V C -1.178 174.992 176.094 0.127 0.000 1.034 394 V CA -0.534 61.925 62.300 0.266 0.000 0.863 394 V CB 1.985 33.980 31.823 0.286 0.000 0.999 394 V HN 0.460 nan 8.190 nan 0.000 0.423 395 V N 8.136 128.105 119.914 0.093 0.000 2.318 395 V HA 0.909 5.030 4.120 0.001 0.000 0.271 395 V C 1.040 177.157 176.094 0.038 0.000 1.030 395 V CA 0.950 63.277 62.300 0.045 0.000 0.844 395 V CB 0.063 31.897 31.823 0.017 0.000 1.015 395 V HN 1.781 nan 8.190 nan 0.000 0.460 396 G N 5.086 113.904 108.800 0.030 0.000 2.445 396 G HA2 -0.066 3.895 3.960 0.001 0.000 0.212 396 G HA3 -0.066 3.895 3.960 0.001 0.000 0.212 396 G C -0.705 174.209 174.900 0.024 0.000 1.217 396 G CA -0.134 44.979 45.100 0.022 0.000 1.002 396 G HN 0.752 nan 8.290 nan 0.000 0.574 397 E N 0.053 120.263 120.200 0.017 0.000 2.277 397 E HA 0.593 4.943 4.350 0.001 0.000 0.266 397 E C -0.184 176.418 176.600 0.004 0.000 0.901 397 E CA -1.032 55.374 56.400 0.011 0.000 0.782 397 E CB 1.830 31.534 29.700 0.007 0.000 1.228 397 E HN 0.621 nan 8.360 nan 0.000 0.424 398 L N 2.160 123.377 121.223 -0.010 0.000 3.035 398 L HA 0.135 4.476 4.340 0.001 0.000 0.232 398 L C 1.032 177.889 176.870 -0.021 0.000 1.341 398 L CA -0.111 54.712 54.840 -0.028 0.000 1.177 398 L CB -0.519 41.495 42.059 -0.075 0.000 1.555 398 L HN 0.536 nan 8.230 nan 0.000 0.473 399 T N -0.657 113.892 114.554 -0.007 0.000 2.622 399 T HA -0.215 4.135 4.350 0.001 0.000 0.266 399 T C 1.657 176.360 174.700 0.005 0.000 1.047 399 T CA 2.022 64.122 62.100 -0.000 0.000 1.159 399 T CB -0.170 68.699 68.868 0.003 0.000 0.863 399 T HN 0.545 nan 8.240 nan 0.000 0.422 400 N N 0.291 118.995 118.700 0.006 0.000 2.166 400 N HA -0.092 4.648 4.740 0.001 0.000 0.186 400 N C 1.943 177.471 175.510 0.030 0.000 1.019 400 N CA 1.340 54.400 53.050 0.016 0.000 0.856 400 N CB -0.178 38.310 38.487 0.002 0.000 0.993 400 N HN 0.326 nan 8.380 nan 0.000 0.426 401 T N 0.910 115.470 114.554 0.009 0.000 2.708 401 T HA -0.124 4.227 4.350 0.001 0.000 0.266 401 T C 1.169 175.867 174.700 -0.003 0.000 1.037 401 T CA 1.146 63.245 62.100 -0.002 0.000 1.146 401 T CB -0.266 68.567 68.868 -0.057 0.000 0.865 401 T HN 0.179 nan 8.240 nan 0.000 0.435 402 D N 0.432 120.825 120.400 -0.012 0.000 2.178 402 D HA -0.022 4.619 4.640 0.001 0.000 0.202 402 D C 2.247 178.562 176.300 0.025 0.000 0.974 402 D CA 0.645 54.642 54.000 -0.006 0.000 0.841 402 D CB -0.215 40.579 40.800 -0.011 0.000 0.953 402 D HN 0.278 nan 8.370 nan 0.000 0.478 403 R N 0.264 120.787 120.500 0.039 0.000 2.075 403 R HA -0.033 4.308 4.340 0.001 0.000 0.232 403 R C 2.381 178.736 176.300 0.091 0.000 1.126 403 R CA 0.623 56.761 56.100 0.062 0.000 0.963 403 R CB -0.158 30.178 30.300 0.061 0.000 0.858 403 R HN 0.150 nan 8.270 nan 0.000 0.435 404 I N 0.645 121.277 120.570 0.104 0.000 2.179 404 I HA -0.338 3.833 4.170 0.001 0.000 0.242 404 I C 2.709 178.885 176.117 0.098 0.000 1.088 404 I CA 1.393 62.775 61.300 0.135 0.000 1.357 404 I CB -0.216 37.880 38.000 0.161 0.000 1.051 404 I HN 0.324 nan 8.210 nan 0.000 0.409 405 M N 0.653 120.291 119.600 0.065 0.000 2.144 405 M HA -0.251 4.229 4.480 0.001 0.000 0.260 405 M C 1.699 178.034 176.300 0.058 0.000 1.067 405 M CA 1.964 57.293 55.300 0.048 0.000 1.095 405 M CB -0.194 32.413 32.600 0.013 0.000 1.365 405 M HN 0.274 nan 8.290 nan 0.000 0.406 406 N N -0.616 118.122 118.700 0.064 0.000 2.387 406 N HA -0.028 4.713 4.740 0.001 0.000 0.176 406 N C 1.183 176.752 175.510 0.099 0.000 1.022 406 N CA 0.939 54.030 53.050 0.069 0.000 0.883 406 N CB 0.069 38.591 38.487 0.058 0.000 1.019 406 N HN 0.511 nan 8.380 nan 0.000 0.435 407 Q N -0.069 119.806 119.800 0.125 0.000 2.189 407 Q HA 0.231 4.572 4.340 0.001 0.000 0.223 407 Q C -0.048 176.093 176.000 0.235 0.000 0.828 407 Q CA 0.213 56.119 55.803 0.172 0.000 0.967 407 Q CB 1.013 29.844 28.738 0.156 0.000 1.139 407 Q HN 0.124 nan 8.270 nan 0.000 0.497 408 T N 1.834 116.508 114.554 0.200 0.000 2.943 408 T HA 0.674 5.025 4.350 0.001 0.000 0.284 408 T C -0.260 174.592 174.700 0.253 0.000 1.015 408 T CA -0.409 61.786 62.100 0.159 0.000 1.042 408 T CB 0.750 69.654 68.868 0.061 0.000 1.055 408 T HN 0.172 nan 8.240 nan 0.000 0.500 409 F N -1.081 118.887 119.950 0.030 0.000 2.807 409 F HA 0.741 5.268 4.527 0.001 0.000 0.316 409 F C -2.329 173.549 175.800 0.131 0.000 1.162 409 F CA -1.617 56.399 58.000 0.027 0.000 0.910 409 F CB 1.085 40.076 39.000 -0.015 0.000 1.314 409 F HN 0.741 nan 8.300 nan 0.000 0.454 410 W N 2.586 123.928 121.300 0.069 0.000 3.031 410 W HA 0.840 5.500 4.660 0.001 0.000 0.337 410 W C -1.767 174.891 176.519 0.232 0.000 1.187 410 W CA -1.561 55.787 57.345 0.005 0.000 1.166 410 W CB 0.916 30.349 29.460 -0.046 0.000 1.437 410 W HN 0.943 nan 8.180 nan 0.000 0.551 411 I N -0.194 120.676 120.570 0.499 0.000 3.108 411 I HA 0.907 5.077 4.170 0.001 0.000 0.312 411 I C 0.364 176.757 176.117 0.459 0.000 1.095 411 I CA -1.304 60.210 61.300 0.356 0.000 1.000 411 I CB 1.748 39.944 38.000 0.326 0.000 1.229 411 I HN 0.524 nan 8.210 nan 0.000 0.454 412 G N 1.490 110.482 108.800 0.320 0.000 2.503 412 G HA2 0.496 4.457 3.960 0.001 0.000 0.257 412 G HA3 0.496 4.457 3.960 0.001 0.000 0.257 412 G C -0.229 174.800 174.900 0.215 0.000 1.214 412 G CA -0.259 45.055 45.100 0.356 0.000 0.839 412 G HN 0.839 nan 8.290 nan 0.000 0.559 413 I N -1.736 118.974 120.570 0.233 0.000 4.014 413 I HA 0.215 4.386 4.170 0.001 0.000 0.339 413 I C -0.019 176.149 176.117 0.084 0.000 1.357 413 I CA -1.434 59.932 61.300 0.109 0.000 1.070 413 I CB -0.994 37.127 38.000 0.201 0.000 1.809 413 I HN 0.511 nan 8.210 nan 0.000 0.664 414 Y N 0.017 120.289 120.300 -0.046 0.000 2.357 414 Y HA 0.610 5.161 4.550 0.001 0.000 0.340 414 Y C -1.509 174.312 175.900 -0.132 0.000 1.260 414 Y CA -1.889 56.130 58.100 -0.136 0.000 1.425 414 Y CB -0.301 38.022 38.460 -0.228 0.000 1.326 414 Y HN -0.173 nan 8.280 nan 0.000 0.580 415 P HA -0.183 nan 4.420 nan 0.000 0.219 415 P C 1.326 178.459 177.300 -0.279 0.000 1.145 415 P CA 2.480 65.477 63.100 -0.172 0.000 0.813 415 P CB -0.097 31.462 31.700 -0.236 0.000 0.771 416 G N -2.142 106.318 108.800 -0.567 0.000 2.848 416 G HA2 0.028 3.989 3.960 0.001 0.000 0.208 416 G HA3 0.028 3.989 3.960 0.001 0.000 0.208 416 G C 0.167 174.655 174.900 -0.685 0.000 1.152 416 G CA 0.087 44.871 45.100 -0.527 0.000 0.789 416 G HN 0.143 nan 8.290 nan 0.000 0.531 417 L N 2.118 122.879 121.223 -0.770 0.000 2.282 417 L HA 0.423 4.763 4.340 0.001 0.000 0.288 417 L C 0.852 177.613 176.870 -0.182 0.000 1.033 417 L CA -0.724 53.755 54.840 -0.601 0.000 0.807 417 L CB 1.337 43.057 42.059 -0.564 0.000 1.209 417 L HN 0.109 nan 8.230 nan 0.000 0.423 418 T N -1.530 113.088 114.554 0.106 0.000 2.897 418 T HA 0.270 4.620 4.350 0.001 0.000 0.278 418 T C 1.182 175.916 174.700 0.056 0.000 0.981 418 T CA -0.325 61.823 62.100 0.081 0.000 0.973 418 T CB 0.654 69.562 68.868 0.068 0.000 1.092 418 T HN 0.508 nan 8.240 nan 0.000 0.543 419 H N 0.051 118.980 119.070 -0.234 0.000 2.456 419 H HA 0.040 4.596 4.556 0.001 0.000 0.296 419 H C 1.585 176.813 175.328 -0.167 0.000 1.079 419 H CA 1.638 57.483 56.048 -0.338 0.000 1.322 419 H CB -0.526 28.927 29.762 -0.515 0.000 1.388 419 H HN 0.732 nan 8.280 nan 0.000 0.538 420 D N -1.036 119.307 120.400 -0.095 0.000 2.183 420 D HA -0.101 4.540 4.640 0.001 0.000 0.203 420 D C 1.967 177.846 176.300 -0.702 0.000 0.969 420 D CA 0.802 54.661 54.000 -0.235 0.000 0.842 420 D CB -0.038 40.664 40.800 -0.162 0.000 0.957 420 D HN 0.483 nan 8.370 nan 0.000 0.484 421 H N 0.203 118.821 119.070 -0.754 0.000 2.321 421 H HA -0.005 4.551 4.556 0.001 0.000 0.300 421 H C 2.252 177.362 175.328 -0.363 0.000 1.087 421 H CA 0.855 56.384 56.048 -0.865 0.000 1.319 421 H CB -0.226 29.261 29.762 -0.458 0.000 1.379 421 H HN 0.190 nan 8.280 nan 0.000 0.501 422 L N 0.377 121.558 121.223 -0.070 0.000 2.056 422 L HA -0.159 4.182 4.340 0.001 0.000 0.207 422 L C 2.261 179.140 176.870 0.015 0.000 1.078 422 L CA 0.960 55.788 54.840 -0.020 0.000 0.749 422 L CB -0.362 41.709 42.059 0.020 0.000 0.901 422 L HN 0.098 nan 8.230 nan 0.000 0.433 423 D N -0.480 119.957 120.400 0.062 0.000 2.133 423 D HA -0.263 4.377 4.640 0.001 0.000 0.195 423 D C 1.915 178.278 176.300 0.105 0.000 0.997 423 D CA 1.471 55.521 54.000 0.082 0.000 0.840 423 D CB -0.250 40.621 40.800 0.118 0.000 0.947 423 D HN 0.325 nan 8.370 nan 0.000 0.452 424 Y N 1.352 121.651 120.300 -0.001 0.000 2.181 424 Y HA -0.201 4.349 4.550 0.001 0.000 0.288 424 Y C 2.193 178.168 175.900 0.126 0.000 1.146 424 Y CA 1.025 59.194 58.100 0.114 0.000 1.164 424 Y CB -0.357 38.252 38.460 0.248 0.000 0.982 424 Y HN -0.197 nan 8.280 nan 0.000 0.515 425 V N -0.837 119.121 119.914 0.072 0.000 2.295 425 V HA -0.316 3.804 4.120 0.001 0.000 0.246 425 V C 2.380 178.529 176.094 0.090 0.000 1.049 425 V CA 1.814 64.148 62.300 0.056 0.000 1.024 425 V CB -0.885 30.988 31.823 0.083 0.000 0.648 425 V HN 0.350 nan 8.190 nan 0.000 0.447 426 V N 0.914 120.828 119.914 -0.001 0.000 2.343 426 V HA -0.248 3.872 4.120 0.001 0.000 0.247 426 V C 2.751 178.896 176.094 0.086 0.000 1.051 426 V CA 2.349 64.642 62.300 -0.012 0.000 1.036 426 V CB -0.865 30.895 31.823 -0.106 0.000 0.654 426 V HN 0.783 nan 8.190 nan 0.000 0.451 427 S N -0.349 115.374 115.700 0.038 0.000 2.382 427 S HA -0.219 4.252 4.470 0.001 0.000 0.228 427 S C 1.986 176.632 174.600 0.076 0.000 1.027 427 S CA 1.087 59.316 58.200 0.047 0.000 0.991 427 S CB -0.338 62.880 63.200 0.029 0.000 0.823 427 S HN 0.457 nan 8.310 nan 0.000 0.469 428 K N 0.429 120.841 120.400 0.021 0.000 2.148 428 K HA 0.137 4.458 4.320 0.001 0.000 0.204 428 K C 1.635 178.403 176.600 0.281 0.000 1.050 428 K CA 0.784 57.139 56.287 0.113 0.000 0.942 428 K CB -0.698 31.747 32.500 -0.091 0.000 0.724 428 K HN 0.484 nan 8.250 nan 0.000 0.446 429 F N 1.919 121.942 119.950 0.122 0.000 2.113 429 F HA -0.113 4.414 4.527 0.001 0.000 0.297 429 F C 2.298 178.261 175.800 0.272 0.000 1.103 429 F CA 1.314 59.427 58.000 0.189 0.000 1.248 429 F CB -0.181 38.953 39.000 0.224 0.000 0.999 429 F HN 0.125 nan 8.300 nan 0.000 0.475 430 E N -0.225 120.216 120.200 0.403 0.000 2.077 430 E HA -0.271 4.080 4.350 0.001 0.000 0.193 430 E C 2.144 178.872 176.600 0.214 0.000 0.989 430 E CA 1.412 57.995 56.400 0.305 0.000 0.800 430 E CB -0.277 29.535 29.700 0.188 0.000 0.746 430 E HN 0.471 nan 8.360 nan 0.000 0.452 431 E N 0.297 120.598 120.200 0.168 0.000 2.058 431 E HA -0.235 4.115 4.350 0.001 0.000 0.194 431 E C 1.893 178.467 176.600 -0.044 0.000 0.997 431 E CA 0.996 57.473 56.400 0.130 0.000 0.801 431 E CB -0.164 29.663 29.700 0.212 0.000 0.746 431 E HN 0.200 nan 8.360 nan 0.000 0.450 432 F N 0.228 119.921 119.950 -0.429 0.000 2.091 432 F HA -0.206 4.321 4.527 0.001 0.000 0.299 432 F C 1.526 176.842 175.800 -0.806 0.000 1.103 432 F CA 1.559 58.941 58.000 -1.030 0.000 1.228 432 F CB -0.237 37.920 39.000 -1.406 0.000 0.984 432 F HN 0.026 nan 8.300 nan 0.000 0.477 433 F N 0.596 120.412 119.950 -0.223 0.000 2.797 433 F HA 0.286 4.813 4.527 0.001 0.000 0.302 433 F C 1.842 177.497 175.800 -0.243 0.000 1.130 433 F CA 0.520 58.279 58.000 -0.402 0.000 1.387 433 F CB -0.594 38.200 39.000 -0.343 0.000 1.107 433 F HN 0.139 nan 8.300 nan 0.000 0.577 434 G N 0.329 109.131 108.800 0.004 0.000 2.198 434 G HA2 -0.303 3.657 3.960 0.001 0.000 0.260 434 G HA3 -0.303 3.657 3.960 0.001 0.000 0.260 434 G C 0.860 175.901 174.900 0.235 0.000 1.025 434 G CA 0.293 45.469 45.100 0.126 0.000 0.769 434 G HN 0.287 nan 8.290 nan 0.000 0.507 435 L N 1.111 122.473 121.223 0.233 0.000 2.478 435 L HA 0.136 4.476 4.340 0.001 0.000 0.223 435 L C 2.273 179.223 176.870 0.133 0.000 1.140 435 L CA 1.634 56.600 54.840 0.211 0.000 0.842 435 L CB -0.445 41.754 42.059 0.235 0.000 0.953 435 L HN 0.622 nan 8.230 nan 0.000 0.452 436 N N -1.263 117.493 118.700 0.094 0.000 2.449 436 N HA -0.054 4.686 4.740 0.001 0.000 0.191 436 N C 0.227 175.561 175.510 -0.294 0.000 1.161 436 N CA 0.213 53.206 53.050 -0.095 0.000 0.863 436 N CB -0.031 38.361 38.487 -0.158 0.000 0.980 436 N HN 0.166 nan 8.380 nan 0.000 0.458 437 F N 0.000 119.973 119.950 0.038 0.000 2.286 437 F HA 0.000 4.527 4.527 0.001 0.000 0.279 437 F CA 0.000 58.016 58.000 0.027 0.000 1.383 437 F CB 0.000 39.009 39.000 0.014 0.000 1.145 437 F HN 0.000 nan 8.300 nan 0.000 0.574