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_A 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 YCXXXXXXXX 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 0.000 174.607 174.600 0.012 0.000 1.055 2 S CA 0.000 58.206 58.200 0.010 0.000 1.107 2 S CB 0.000 63.205 63.200 0.009 0.000 0.593 3 Q N 1.512 121.320 119.800 0.013 0.000 1.994 3 Q HA -0.070 4.272 4.340 0.003 0.000 0.198 3 Q C 1.857 177.867 176.000 0.016 0.000 0.976 3 Q CA 2.062 57.874 55.803 0.016 0.000 0.828 3 Q CB -0.604 28.144 28.738 0.017 0.000 0.894 3 Q HN 0.936 nan 8.270 nan 0.000 0.432 4 E N 1.370 121.579 120.200 0.014 0.000 2.267 4 E HA -0.208 4.144 4.350 0.003 0.000 0.197 4 E C 1.711 178.320 176.600 0.014 0.000 0.998 4 E CA 1.402 57.810 56.400 0.013 0.000 0.830 4 E CB -0.010 29.695 29.700 0.009 0.000 0.751 4 E HN 0.450 nan 8.360 nan 0.000 0.491 5 E N -0.386 119.821 120.200 0.013 0.000 2.060 5 E HA -0.088 4.264 4.350 0.003 0.000 0.189 5 E C 2.078 178.686 176.600 0.014 0.000 0.974 5 E CA 0.658 57.066 56.400 0.012 0.000 0.808 5 E CB -0.147 29.559 29.700 0.010 0.000 0.768 5 E HN 0.348 nan 8.360 nan 0.000 0.453 6 L N 0.624 121.856 121.223 0.014 0.000 2.127 6 L HA -0.186 4.156 4.340 0.003 0.000 0.211 6 L C 2.828 179.708 176.870 0.017 0.000 1.089 6 L CA 1.143 55.992 54.840 0.015 0.000 0.757 6 L CB -0.303 41.765 42.059 0.015 0.000 0.899 6 L HN 0.132 nan 8.230 nan 0.000 0.434 7 R N -0.443 120.070 120.500 0.021 0.000 2.075 7 R HA -0.171 4.171 4.340 0.003 0.000 0.230 7 R C 2.303 178.618 176.300 0.024 0.000 1.140 7 R CA 1.511 57.626 56.100 0.026 0.000 0.928 7 R CB -0.385 29.934 30.300 0.033 0.000 0.834 7 R HN 0.409 nan 8.270 nan 0.000 0.429 8 Q N 0.319 120.132 119.800 0.022 0.000 2.197 8 Q HA -0.276 4.065 4.340 0.003 0.000 0.207 8 Q C 2.113 178.125 176.000 0.019 0.000 0.984 8 Q CA 1.815 57.630 55.803 0.021 0.000 0.869 8 Q CB -0.083 28.666 28.738 0.018 0.000 0.906 8 Q HN 0.443 nan 8.270 nan 0.000 0.426 9 Q N 0.318 120.128 119.800 0.017 0.000 2.331 9 Q HA -0.055 4.287 4.340 0.003 0.000 0.203 9 Q C 1.708 177.718 176.000 0.015 0.000 0.944 9 Q CA 0.505 56.317 55.803 0.016 0.000 0.892 9 Q CB 0.192 28.938 28.738 0.014 0.000 0.983 9 Q HN 0.406 nan 8.270 nan 0.000 0.482 10 I N 0.623 121.201 120.570 0.014 0.000 2.584 10 I HA -0.064 4.108 4.170 0.003 0.000 0.255 10 I C 2.338 178.462 176.117 0.011 0.000 1.145 10 I CA 0.653 61.959 61.300 0.009 0.000 1.462 10 I CB -0.225 37.779 38.000 0.007 0.000 1.102 10 I HN 0.283 nan 8.210 nan 0.000 0.433 11 A N 0.743 123.574 122.820 0.017 0.000 1.933 11 A HA -0.188 4.134 4.320 0.003 0.000 0.218 11 A C 2.179 179.778 177.584 0.025 0.000 1.175 11 A CA 1.449 53.498 52.037 0.020 0.000 0.628 11 A CB -0.324 18.691 19.000 0.025 0.000 0.814 11 A HN 0.326 nan 8.150 nan 0.000 0.444 12 E N 0.376 120.591 120.200 0.024 0.000 2.028 12 E HA -0.130 4.222 4.350 0.003 0.000 0.191 12 E C 2.046 178.668 176.600 0.037 0.000 0.988 12 E CA 1.045 57.462 56.400 0.028 0.000 0.799 12 E CB -0.647 29.067 29.700 0.023 0.000 0.755 12 E HN 0.673 nan 8.360 nan 0.000 0.447 13 L N 0.851 122.095 121.223 0.035 0.000 2.265 13 L HA -0.128 4.214 4.340 0.003 0.000 0.215 13 L C 2.417 179.329 176.870 0.071 0.000 1.117 13 L CA 0.506 55.374 54.840 0.048 0.000 0.782 13 L CB -0.335 41.743 42.059 0.031 0.000 0.914 13 L HN -0.021 nan 8.230 nan 0.000 0.441 14 V N -0.251 119.692 119.914 0.049 0.000 2.446 14 V HA -0.075 4.047 4.120 0.003 0.000 0.244 14 V C 2.631 178.785 176.094 0.101 0.000 1.039 14 V CA 1.421 63.755 62.300 0.057 0.000 1.045 14 V CB -0.363 31.466 31.823 0.009 0.000 0.681 14 V HN 0.421 nan 8.190 nan 0.000 0.459 15 A N -0.686 122.174 122.820 0.067 0.000 2.125 15 A HA -0.227 4.095 4.320 0.003 0.000 0.219 15 A C 2.067 179.691 177.584 0.066 0.000 1.156 15 A CA 1.575 53.648 52.037 0.060 0.000 0.671 15 A CB -0.317 18.707 19.000 0.039 0.000 0.794 15 A HN 0.664 nan 8.150 nan 0.000 0.459 16 Q N -2.877 116.971 119.800 0.080 0.000 2.391 16 Q HA 0.061 4.403 4.340 0.003 0.000 0.211 16 Q C 1.661 177.711 176.000 0.084 0.000 0.908 16 Q CA 0.666 56.508 55.803 0.066 0.000 0.920 16 Q CB -0.072 28.700 28.738 0.056 0.000 1.056 16 Q HN 0.846 nan 8.270 nan 0.000 0.523 17 Y N 0.847 121.150 120.300 0.004 0.000 2.243 17 Y HA 0.009 4.561 4.550 0.003 0.000 0.293 17 Y C 2.148 178.051 175.900 0.004 0.000 1.124 17 Y CA 1.191 59.293 58.100 0.004 0.000 1.159 17 Y CB -0.040 38.422 38.460 0.002 0.000 1.008 17 Y HN 0.048 nan 8.280 nan 0.000 0.527 18 A N 0.360 123.296 122.820 0.192 0.000 2.172 18 A HA -0.113 4.209 4.320 0.003 0.000 0.216 18 A C 1.925 179.511 177.584 0.004 0.000 1.154 18 A CA 1.486 53.587 52.037 0.106 0.000 0.701 18 A CB -0.462 18.610 19.000 0.121 0.000 0.789 18 A HN 0.595 nan 8.150 nan 0.000 0.465 19 E N -0.522 119.669 120.200 -0.014 0.000 2.112 19 E HA -0.087 4.265 4.350 0.003 0.000 0.190 19 E C 1.832 178.393 176.600 -0.064 0.000 0.979 19 E CA 1.613 57.998 56.400 -0.025 0.000 0.814 19 E CB -0.475 29.217 29.700 -0.014 0.000 0.762 19 E HN 0.571 nan 8.360 nan 0.000 0.460 20 T N 1.388 115.866 114.554 -0.128 0.000 2.814 20 T HA 0.046 4.398 4.350 0.003 0.000 0.254 20 T C 2.034 176.627 174.700 -0.178 0.000 1.037 20 T CA 1.141 63.147 62.100 -0.157 0.000 1.143 20 T CB -0.195 68.545 68.868 -0.214 0.000 0.866 20 T HN 0.214 nan 8.240 nan 0.000 0.431 21 A N 1.854 124.503 122.820 -0.286 0.000 1.834 21 A HA -0.039 4.283 4.320 0.003 0.000 0.216 21 A C 1.778 179.318 177.584 -0.073 0.000 1.203 21 A CA 1.566 53.475 52.037 -0.214 0.000 0.621 21 A CB -0.707 18.130 19.000 -0.273 0.000 0.841 21 A HN 0.370 nan 8.150 nan 0.000 0.446 22 M N 0.599 120.180 119.600 -0.031 0.000 2.781 22 M HA 0.321 4.803 4.480 0.003 0.000 0.208 22 M C 0.383 176.687 176.300 0.007 0.000 1.231 22 M CA -0.040 55.265 55.300 0.009 0.000 1.029 22 M CB -0.698 31.924 32.600 0.037 0.000 1.753 22 M HN 0.345 nan 8.290 nan 0.000 0.448 23 A N 1.686 124.500 122.820 -0.011 0.000 2.276 23 A HA 0.636 4.958 4.320 0.003 0.000 0.300 23 A C -1.920 175.669 177.584 0.009 0.000 1.235 23 A CA -1.255 50.781 52.037 -0.003 0.000 0.867 23 A CB -0.361 18.628 19.000 -0.018 0.000 1.137 23 A HN 0.285 nan 8.150 nan 0.000 0.527 24 P HA 0.152 nan 4.420 nan 0.000 0.268 24 P C -0.628 176.694 177.300 0.037 0.000 1.204 24 P CA -0.015 63.108 63.100 0.039 0.000 0.768 24 P CB 0.737 32.465 31.700 0.046 0.000 0.842 25 K N 3.534 123.963 120.400 0.048 0.000 2.174 25 K HA 0.308 4.630 4.320 0.003 0.000 0.275 25 K C -1.692 174.940 176.600 0.054 0.000 1.015 25 K CA -1.629 54.679 56.287 0.035 0.000 0.933 25 K CB 0.437 32.951 32.500 0.024 0.000 1.025 25 K HN 0.478 nan 8.250 nan 0.000 0.463 26 P HA -0.072 nan 4.420 nan 0.000 0.268 26 P C -0.514 176.794 177.300 0.014 0.000 1.205 26 P CA -0.173 62.942 63.100 0.024 0.000 0.771 26 P CB 0.333 32.030 31.700 -0.005 0.000 0.858 27 F N 2.113 121.963 119.950 -0.168 0.000 2.572 27 F HA 0.109 4.637 4.527 0.002 0.000 0.370 27 F C 0.681 176.361 175.800 -0.200 0.000 1.103 27 F CA -0.005 57.823 58.000 -0.287 0.000 1.286 27 F CB 0.368 39.052 39.000 -0.527 0.000 1.105 27 F HN 0.420 nan 8.300 nan 0.000 0.583 28 E N 5.627 125.186 120.200 -1.068 0.000 2.580 28 E HA 0.502 4.854 4.350 0.003 0.000 0.248 28 E C -0.928 175.016 176.600 -1.093 0.000 1.018 28 E CA -0.906 55.004 56.400 -0.817 0.000 0.775 28 E CB 0.786 30.237 29.700 -0.415 0.000 1.378 28 E HN 0.903 nan 8.360 nan 0.000 0.401 29 A N 2.515 124.639 122.820 -1.160 0.000 2.598 29 A HA 0.312 4.634 4.320 0.003 0.000 0.239 29 A C 1.427 178.727 177.584 -0.474 0.000 1.032 29 A CA 1.351 52.893 52.037 -0.825 0.000 0.760 29 A CB -0.382 18.502 19.000 -0.193 0.000 0.946 29 A HN 1.221 nan 8.150 nan 0.000 0.512 30 G N 1.612 110.150 108.800 -0.437 0.000 2.383 30 G HA2 -0.338 3.624 3.960 0.003 0.000 0.229 30 G HA3 -0.338 3.624 3.960 0.003 0.000 0.229 30 G C 1.161 175.953 174.900 -0.181 0.000 1.089 30 G CA 1.127 46.130 45.100 -0.163 0.000 0.640 30 G HN 0.998 nan 8.290 nan 0.000 0.510 31 K N 0.386 120.628 120.400 -0.265 0.000 2.262 31 K HA 0.393 4.714 4.320 0.003 0.000 0.200 31 K C 1.082 177.572 176.600 -0.184 0.000 1.058 31 K CA 0.836 57.009 56.287 -0.189 0.000 0.974 31 K CB 0.266 32.662 32.500 -0.173 0.000 0.910 31 K HN 0.339 nan 8.250 nan 0.000 0.484 32 S N 1.555 117.078 115.700 -0.295 0.000 2.564 32 S HA 0.149 4.621 4.470 0.003 0.000 0.278 32 S C -0.150 174.448 174.600 -0.004 0.000 1.333 32 S CA -0.704 57.408 58.200 -0.147 0.000 1.048 32 S CB 1.397 64.469 63.200 -0.215 0.000 0.900 32 S HN 0.222 nan 8.310 nan 0.000 0.505 33 V N 0.742 120.719 119.914 0.105 0.000 2.837 33 V HA 0.721 4.843 4.120 0.003 0.000 0.310 33 V C -0.312 175.919 176.094 0.228 0.000 1.059 33 V CA -0.748 61.633 62.300 0.136 0.000 1.004 33 V CB 1.447 33.322 31.823 0.087 0.000 1.045 33 V HN 0.515 nan 8.190 nan 0.000 0.465 34 V N 4.238 124.277 119.914 0.209 0.000 2.266 34 V HA 0.362 4.483 4.120 0.003 0.000 0.266 34 V C -2.037 174.147 176.094 0.150 0.000 1.036 34 V CA -1.251 61.161 62.300 0.187 0.000 0.828 34 V CB 0.512 32.474 31.823 0.232 0.000 1.081 34 V HN 0.907 nan 8.190 nan 0.000 0.449 35 P HA 0.173 nan 4.420 nan 0.000 0.271 35 P C -2.045 175.349 177.300 0.157 0.000 1.233 35 P CA -1.132 62.039 63.100 0.117 0.000 0.789 35 P CB 0.817 32.569 31.700 0.087 0.000 0.951 36 P HA -0.037 nan 4.420 nan 0.000 0.231 36 P C 0.248 177.624 177.300 0.127 0.000 1.168 36 P CA 0.867 63.992 63.100 0.042 0.000 0.779 36 P CB 0.311 31.829 31.700 -0.302 0.000 0.844 37 S N -2.583 113.004 115.700 -0.187 0.000 2.615 37 S HA 0.727 5.198 4.470 0.003 0.000 0.268 37 S C -0.632 173.309 174.600 -1.098 0.000 1.146 37 S CA -0.141 57.644 58.200 -0.692 0.000 0.818 37 S CB 1.564 64.598 63.200 -0.276 0.000 1.111 37 S HN 0.352 nan 8.310 nan 0.000 0.465 38 G N 0.323 108.324 108.800 -1.332 0.000 2.328 38 G HA2 0.515 4.477 3.960 0.003 0.000 0.295 38 G HA3 0.515 4.477 3.960 0.003 0.000 0.295 38 G C -2.017 172.617 174.900 -0.443 0.000 1.413 38 G CA -0.610 44.036 45.100 -0.757 0.000 0.817 38 G HN 0.986 nan 8.290 nan 0.000 0.546 39 K N -1.039 119.244 120.400 -0.195 0.000 2.098 39 K HA 0.782 5.104 4.320 0.003 0.000 0.258 39 K C -1.122 175.456 176.600 -0.036 0.000 0.973 39 K CA -0.853 55.366 56.287 -0.114 0.000 0.898 39 K CB 2.473 34.926 32.500 -0.078 0.000 1.057 39 K HN 0.334 nan 8.250 nan 0.000 0.447 40 V N 4.679 124.564 119.914 -0.048 0.000 2.385 40 V HA 0.287 4.409 4.120 0.003 0.000 0.277 40 V C -0.265 175.916 176.094 0.146 0.000 1.012 40 V CA -0.653 61.669 62.300 0.037 0.000 0.832 40 V CB 0.341 32.151 31.823 -0.021 0.000 1.028 40 V HN 0.825 nan 8.190 nan 0.000 0.436 41 I N 1.240 121.872 120.570 0.103 0.000 2.910 41 I HA 1.095 5.267 4.170 0.003 0.000 0.310 41 I C 0.380 176.549 176.117 0.087 0.000 1.043 41 I CA -0.499 60.862 61.300 0.103 0.000 1.053 41 I CB 2.443 40.478 38.000 0.059 0.000 1.242 41 I HN 0.516 nan 8.210 nan 0.000 0.452 42 G N 1.395 110.239 108.800 0.073 0.000 3.003 42 G HA2 0.303 4.265 3.960 0.003 0.000 0.243 42 G HA3 0.303 4.265 3.960 0.003 0.000 0.243 42 G C 0.170 175.101 174.900 0.051 0.000 1.176 42 G CA 0.336 45.472 45.100 0.060 0.000 0.812 42 G HN 0.569 nan 8.290 nan 0.000 0.584 43 T N 0.361 114.942 114.554 0.045 0.000 2.674 43 T HA -0.097 4.255 4.350 0.003 0.000 0.265 43 T C 2.324 177.040 174.700 0.027 0.000 1.039 43 T CA 1.888 64.014 62.100 0.042 0.000 1.150 43 T CB -0.241 68.649 68.868 0.037 0.000 0.864 43 T HN 0.314 nan 8.240 nan 0.000 0.427 44 K N 1.231 121.643 120.400 0.019 0.000 2.020 44 K HA -0.148 4.174 4.320 0.003 0.000 0.212 44 K C 2.176 178.770 176.600 -0.009 0.000 1.050 44 K CA 1.584 57.876 56.287 0.008 0.000 0.929 44 K CB -0.410 32.094 32.500 0.006 0.000 0.714 44 K HN 0.231 nan 8.250 nan 0.000 0.443 45 E N -0.041 120.156 120.200 -0.004 0.000 2.033 45 E HA -0.175 4.177 4.350 0.003 0.000 0.199 45 E C 1.902 178.474 176.600 -0.046 0.000 1.011 45 E CA 1.592 57.977 56.400 -0.025 0.000 0.815 45 E CB -0.346 29.354 29.700 -0.000 0.000 0.755 45 E HN 0.135 nan 8.360 nan 0.000 0.451 46 L N 0.880 122.092 121.223 -0.017 0.000 2.131 46 L HA -0.181 4.161 4.340 0.003 0.000 0.210 46 L C 2.242 179.086 176.870 -0.043 0.000 1.092 46 L CA 1.587 56.412 54.840 -0.024 0.000 0.759 46 L CB -0.515 41.554 42.059 0.017 0.000 0.903 46 L HN 0.161 nan 8.230 nan 0.000 0.435 47 Q N -0.824 118.958 119.800 -0.029 0.000 2.016 47 Q HA -0.135 4.207 4.340 0.003 0.000 0.200 47 Q C 2.335 178.297 176.000 -0.063 0.000 0.978 47 Q CA 1.213 57.001 55.803 -0.026 0.000 0.833 47 Q CB -0.210 28.529 28.738 0.002 0.000 0.895 47 Q HN 0.467 nan 8.270 nan 0.000 0.427 48 L N 0.104 121.260 121.223 -0.111 0.000 2.046 48 L HA -0.186 4.156 4.340 0.003 0.000 0.208 48 L C 2.508 179.123 176.870 -0.424 0.000 1.077 48 L CA 1.036 55.710 54.840 -0.276 0.000 0.747 48 L CB -0.459 41.405 42.059 -0.325 0.000 0.896 48 L HN 0.365 nan 8.230 nan 0.000 0.432 49 M N -0.850 118.582 119.600 -0.280 0.000 2.159 49 M HA -0.183 4.299 4.480 0.003 0.000 0.263 49 M C 2.291 178.499 176.300 -0.153 0.000 1.063 49 M CA 1.335 56.495 55.300 -0.232 0.000 1.110 49 M CB -0.358 32.154 32.600 -0.145 0.000 1.374 49 M HN 0.102 nan 8.290 nan 0.000 0.411 50 V N 0.247 120.097 119.914 -0.107 0.000 2.358 50 V HA -0.216 3.906 4.120 0.003 0.000 0.246 50 V C 2.203 178.285 176.094 -0.019 0.000 1.047 50 V CA 1.657 63.923 62.300 -0.055 0.000 1.035 50 V CB -0.635 31.162 31.823 -0.043 0.000 0.658 50 V HN 0.450 nan 8.190 nan 0.000 0.452 51 E N 0.411 120.601 120.200 -0.016 0.000 2.038 51 E HA -0.255 4.097 4.350 0.003 0.000 0.195 51 E C 2.378 179.081 176.600 0.172 0.000 1.000 51 E CA 1.550 58.012 56.400 0.104 0.000 0.803 51 E CB -0.347 29.490 29.700 0.230 0.000 0.750 51 E HN 0.573 nan 8.360 nan 0.000 0.448 52 A N 1.176 124.025 122.820 0.050 0.000 1.940 52 A HA -0.200 4.121 4.320 0.003 0.000 0.219 52 A C 2.406 180.069 177.584 0.132 0.000 1.176 52 A CA 1.893 54.032 52.037 0.170 0.000 0.631 52 A CB -0.469 18.467 19.000 -0.107 0.000 0.814 52 A HN 0.146 nan 8.150 nan 0.000 0.446 53 S N -0.075 115.653 115.700 0.048 0.000 2.368 53 S HA -0.081 4.390 4.470 0.003 0.000 0.225 53 S C 1.807 176.449 174.600 0.071 0.000 1.030 53 S CA 1.439 59.667 58.200 0.047 0.000 0.999 53 S CB -0.452 62.752 63.200 0.007 0.000 0.844 53 S HN 0.522 nan 8.310 nan 0.000 0.459 54 L N 1.467 122.734 121.223 0.074 0.000 2.093 54 L HA -0.139 4.203 4.340 0.003 0.000 0.208 54 L C 2.120 179.053 176.870 0.104 0.000 1.085 54 L CA 1.027 55.912 54.840 0.076 0.000 0.755 54 L CB -0.783 41.316 42.059 0.067 0.000 0.904 54 L HN 0.177 nan 8.230 nan 0.000 0.435 55 D N 0.617 121.105 120.400 0.146 0.000 2.172 55 D HA -0.183 4.458 4.640 0.003 0.000 0.196 55 D C 1.755 178.169 176.300 0.189 0.000 0.999 55 D CA 1.612 55.714 54.000 0.169 0.000 0.856 55 D CB -0.376 40.559 40.800 0.224 0.000 0.934 55 D HN 0.441 nan 8.370 nan 0.000 0.453 56 G N -0.405 108.502 108.800 0.178 0.000 2.153 56 G HA2 -0.302 3.660 3.960 0.003 0.000 0.252 56 G HA3 -0.302 3.660 3.960 0.003 0.000 0.252 56 G C 0.686 175.708 174.900 0.205 0.000 0.994 56 G CA 0.543 45.734 45.100 0.152 0.000 0.698 56 G HN 0.442 nan 8.290 nan 0.000 0.521 57 W N 0.064 121.401 121.300 0.061 0.000 2.481 57 W HA 0.107 4.768 4.660 0.003 0.000 0.293 57 W C 1.903 178.461 176.519 0.065 0.000 1.201 57 W CA 1.784 59.166 57.345 0.062 0.000 1.328 57 W CB -0.173 29.328 29.460 0.069 0.000 1.112 57 W HN 0.537 nan 8.180 nan 0.000 0.546 58 L N -0.842 120.483 121.223 0.171 0.000 3.153 58 L HA -0.379 3.962 4.340 0.003 0.000 0.369 58 L C 1.092 178.002 176.870 0.065 0.000 3.110 58 L CA 2.056 56.935 54.840 0.066 0.000 2.423 58 L CB -2.752 39.292 42.059 -0.024 0.000 2.474 58 L HN 0.031 nan 8.230 nan 0.000 0.797 59 T N -0.271 114.229 114.554 -0.089 0.000 2.701 59 T HA 0.370 4.722 4.350 0.003 0.000 0.303 59 T C 0.655 175.534 174.700 0.298 0.000 1.030 59 T CA 0.083 62.195 62.100 0.020 0.000 1.010 59 T CB 0.739 69.547 68.868 -0.100 0.000 1.007 59 T HN 0.484 nan 8.240 nan 0.000 0.532 60 T N -1.605 113.123 114.554 0.290 0.000 2.903 60 T HA 0.542 4.894 4.350 0.003 0.000 0.314 60 T C 0.820 175.794 174.700 0.457 0.000 1.078 60 T CA -0.200 62.095 62.100 0.326 0.000 1.114 60 T CB 0.525 69.524 68.868 0.218 0.000 0.987 60 T HN 1.255 nan 8.240 nan 0.000 0.548 61 G N 1.287 110.241 108.800 0.257 0.000 2.825 61 G HA2 0.183 4.145 3.960 0.003 0.000 0.100 61 G HA3 0.183 4.145 3.960 0.003 0.000 0.100 61 G C 0.617 175.477 174.900 -0.067 0.000 1.195 61 G CA -0.013 45.097 45.100 0.016 0.000 1.317 61 G HN 0.739 nan 8.290 nan 0.000 0.632 62 R N -0.393 119.962 120.500 -0.241 0.000 2.162 62 R HA -0.156 4.186 4.340 0.003 0.000 0.245 62 R C 2.388 178.525 176.300 -0.272 0.000 1.129 62 R CA 2.799 58.704 56.100 -0.324 0.000 0.940 62 R CB -0.642 29.356 30.300 -0.504 0.000 0.875 62 R HN 0.377 nan 8.270 nan 0.000 0.437 63 F N 0.273 120.229 119.950 0.010 0.000 2.206 63 F HA -0.080 4.449 4.527 0.003 0.000 0.298 63 F C 2.387 178.242 175.800 0.091 0.000 1.090 63 F CA 1.380 59.407 58.000 0.044 0.000 1.323 63 F CB -0.458 38.563 39.000 0.035 0.000 1.028 63 F HN 0.261 nan 8.300 nan 0.000 0.492 64 N N 0.316 119.167 118.700 0.252 0.000 2.166 64 N HA -0.185 4.557 4.740 0.003 0.000 0.186 64 N C 1.431 177.073 175.510 0.220 0.000 1.019 64 N CA 1.622 54.808 53.050 0.228 0.000 0.856 64 N CB -0.211 38.389 38.487 0.189 0.000 0.993 64 N HN 0.067 nan 8.380 nan 0.000 0.426 65 D N -0.004 120.475 120.400 0.131 0.000 2.097 65 D HA -0.124 4.518 4.640 0.003 0.000 0.195 65 D C 1.835 178.190 176.300 0.092 0.000 0.989 65 D CA 1.371 55.426 54.000 0.091 0.000 0.827 65 D CB -0.575 40.237 40.800 0.020 0.000 0.966 65 D HN 0.418 nan 8.370 nan 0.000 0.456 66 A N 0.665 123.533 122.820 0.080 0.000 1.883 66 A HA -0.202 4.120 4.320 0.003 0.000 0.217 66 A C 2.159 179.806 177.584 0.104 0.000 1.186 66 A CA 1.262 53.342 52.037 0.072 0.000 0.624 66 A CB -1.091 17.953 19.000 0.073 0.000 0.822 66 A HN 0.256 nan 8.150 nan 0.000 0.444 67 F N 0.906 120.887 119.950 0.051 0.000 2.051 67 F HA -0.186 4.343 4.527 0.003 0.000 0.296 67 F C 2.320 178.143 175.800 0.038 0.000 1.122 67 F CA 2.344 60.362 58.000 0.030 0.000 1.201 67 F CB -0.359 38.656 39.000 0.025 0.000 0.978 67 F HN 0.365 nan 8.300 nan 0.000 0.472 68 E N 0.137 120.451 120.200 0.190 0.000 2.130 68 E HA -0.303 4.048 4.350 0.003 0.000 0.196 68 E C 2.170 178.756 176.600 -0.024 0.000 0.998 68 E CA 1.568 58.032 56.400 0.107 0.000 0.806 68 E CB -0.318 29.504 29.700 0.203 0.000 0.738 68 E HN 0.451 nan 8.360 nan 0.000 0.459 69 K N 1.503 121.895 120.400 -0.014 0.000 2.025 69 K HA -0.170 4.151 4.320 0.003 0.000 0.207 69 K C 2.186 178.733 176.600 -0.089 0.000 1.049 69 K CA 1.236 57.502 56.287 -0.036 0.000 0.933 69 K CB 0.041 32.532 32.500 -0.015 0.000 0.714 69 K HN -0.117 nan 8.250 nan 0.000 0.438 70 K N 0.470 120.791 120.400 -0.131 0.000 2.097 70 K HA -0.129 4.193 4.320 0.003 0.000 0.205 70 K C 2.158 178.642 176.600 -0.194 0.000 1.050 70 K CA 0.908 57.106 56.287 -0.148 0.000 0.938 70 K CB -0.051 32.358 32.500 -0.151 0.000 0.718 70 K HN 0.115 nan 8.250 nan 0.000 0.442 71 L N 0.434 121.444 121.223 -0.354 0.000 2.093 71 L HA 0.010 4.352 4.340 0.003 0.000 0.208 71 L C 1.998 178.777 176.870 -0.151 0.000 1.085 71 L CA 1.936 56.586 54.840 -0.316 0.000 0.755 71 L CB -0.796 40.958 42.059 -0.508 0.000 0.904 71 L HN 0.199 nan 8.230 nan 0.000 0.435 72 G N -1.058 107.662 108.800 -0.133 0.000 2.422 72 G HA2 -0.232 3.730 3.960 0.003 0.000 0.218 72 G HA3 -0.232 3.730 3.960 0.003 0.000 0.218 72 G C 1.419 176.260 174.900 -0.099 0.000 1.146 72 G CA 0.796 45.834 45.100 -0.102 0.000 0.769 72 G HN 0.538 nan 8.290 nan 0.000 0.547 73 E N -0.884 119.269 120.200 -0.079 0.000 2.107 73 E HA -0.073 4.278 4.350 0.003 0.000 0.191 73 E C 2.010 178.578 176.600 -0.054 0.000 0.982 73 E CA 0.631 56.991 56.400 -0.066 0.000 0.809 73 E CB -0.214 29.456 29.700 -0.050 0.000 0.756 73 E HN 0.594 nan 8.360 nan 0.000 0.459 74 Y N 1.271 121.481 120.300 -0.151 0.000 2.163 74 Y HA -0.150 4.401 4.550 0.003 0.000 0.288 74 Y C 1.902 177.711 175.900 -0.151 0.000 1.136 74 Y CA 1.357 59.373 58.100 -0.140 0.000 1.147 74 Y CB 0.011 38.382 38.460 -0.148 0.000 0.987 74 Y HN -0.074 nan 8.280 nan 0.000 0.509 75 L N -0.523 120.626 121.223 -0.122 0.000 2.156 75 L HA 0.047 4.388 4.340 0.003 0.000 0.208 75 L C 1.570 178.303 176.870 -0.228 0.000 1.095 75 L CA 1.002 55.696 54.840 -0.243 0.000 0.770 75 L CB -0.758 41.087 42.059 -0.358 0.000 0.914 75 L HN 0.545 nan 8.230 nan 0.000 0.439 76 G N 0.827 109.519 108.800 -0.180 0.000 2.203 76 G HA2 -0.176 3.786 3.960 0.003 0.000 0.231 76 G HA3 -0.176 3.786 3.960 0.003 0.000 0.231 76 G C -0.105 174.723 174.900 -0.121 0.000 1.058 76 G CA 0.086 45.096 45.100 -0.149 0.000 0.781 76 G HN 0.276 nan 8.290 nan 0.000 0.496 77 V N -3.073 116.774 119.914 -0.113 0.000 2.823 77 V HA 0.918 5.039 4.120 0.003 0.000 0.312 77 V C -0.947 175.069 176.094 -0.131 0.000 1.072 77 V CA -1.400 60.855 62.300 -0.075 0.000 0.937 77 V CB 2.054 33.894 31.823 0.028 0.000 1.013 77 V HN 0.018 nan 8.190 nan 0.000 0.430 78 P HA 0.103 nan 4.420 nan 0.000 0.227 78 P C -0.471 176.462 177.300 -0.612 0.000 1.161 78 P CA 0.872 63.664 63.100 -0.513 0.000 0.788 78 P CB 0.094 31.326 31.700 -0.780 0.000 0.822 79 Y N -0.333 120.023 120.300 0.093 0.000 2.326 79 Y HA 0.452 5.004 4.550 0.003 0.000 0.331 79 Y C -0.114 175.885 175.900 0.164 0.000 0.962 79 Y CA -1.258 56.909 58.100 0.113 0.000 1.167 79 Y CB 1.930 40.452 38.460 0.102 0.000 1.148 79 Y HN -0.378 nan 8.280 nan 0.000 0.463 80 V N 5.570 125.660 119.914 0.294 0.000 2.483 80 V HA 0.481 4.602 4.120 0.003 0.000 0.297 80 V C -0.626 175.629 176.094 0.268 0.000 1.027 80 V CA -0.878 61.596 62.300 0.290 0.000 0.855 80 V CB 2.029 33.976 31.823 0.207 0.000 0.995 80 V HN 0.600 nan 8.190 nan 0.000 0.424 81 L N 4.647 126.026 121.223 0.261 0.000 2.349 81 L HA 0.576 4.918 4.340 0.003 0.000 0.278 81 L C 0.477 177.481 176.870 0.224 0.000 0.996 81 L CA -0.489 54.475 54.840 0.207 0.000 0.825 81 L CB 2.360 44.502 42.059 0.138 0.000 1.243 81 L HN 0.752 nan 8.230 nan 0.000 0.412 82 T N -1.032 113.661 114.554 0.232 0.000 2.910 82 T HA 0.487 4.839 4.350 0.003 0.000 0.293 82 T C -0.017 174.757 174.700 0.122 0.000 1.015 82 T CA -0.416 61.821 62.100 0.230 0.000 1.094 82 T CB 2.255 71.250 68.868 0.212 0.000 0.968 82 T HN 0.623 nan 8.240 nan 0.000 0.521 83 T N -0.645 113.964 114.554 0.091 0.000 2.754 83 T HA 0.462 4.814 4.350 0.003 0.000 0.296 83 T C 1.507 176.214 174.700 0.013 0.000 1.205 83 T CA 0.107 62.219 62.100 0.020 0.000 1.009 83 T CB 1.181 70.034 68.868 -0.025 0.000 1.368 83 T HN 0.926 nan 8.240 nan 0.000 0.509 84 T N -0.223 114.319 114.554 -0.020 0.000 3.007 84 T HA 0.250 4.602 4.350 0.003 0.000 0.270 84 T C 0.803 175.497 174.700 -0.010 0.000 1.107 84 T CA 1.224 63.317 62.100 -0.011 0.000 1.118 84 T CB -0.513 68.340 68.868 -0.025 0.000 0.889 84 T HN 1.160 nan 8.240 nan 0.000 0.506 85 S N -2.360 113.309 115.700 -0.051 0.000 2.643 85 S HA 0.575 5.047 4.470 0.003 0.000 0.266 85 S C 1.091 175.600 174.600 -0.151 0.000 1.130 85 S CA -0.443 57.709 58.200 -0.079 0.000 0.817 85 S CB 0.785 63.950 63.200 -0.059 0.000 1.107 85 S HN 0.215 nan 8.310 nan 0.000 0.471 86 G N 1.126 109.805 108.800 -0.203 0.000 2.422 86 G HA2 -0.061 3.900 3.960 0.003 0.000 0.218 86 G HA3 -0.061 3.900 3.960 0.003 0.000 0.218 86 G C 1.276 176.086 174.900 -0.151 0.000 1.146 86 G CA 1.232 46.197 45.100 -0.226 0.000 0.769 86 G HN 0.801 nan 8.290 nan 0.000 0.547 87 S N 0.903 116.536 115.700 -0.110 0.000 2.368 87 S HA -0.097 4.374 4.470 0.003 0.000 0.225 87 S C 2.711 177.231 174.600 -0.134 0.000 1.030 87 S CA 1.373 59.522 58.200 -0.085 0.000 0.999 87 S CB -0.253 62.913 63.200 -0.057 0.000 0.844 87 S HN 0.359 nan 8.310 nan 0.000 0.459 88 S N 1.603 117.217 115.700 -0.144 0.000 2.399 88 S HA -0.005 4.466 4.470 0.003 0.000 0.231 88 S C 2.229 176.721 174.600 -0.180 0.000 1.022 88 S CA 0.864 58.955 58.200 -0.181 0.000 0.983 88 S CB -0.451 62.658 63.200 -0.151 0.000 0.803 88 S HN 0.597 nan 8.310 nan 0.000 0.480 89 A N 2.357 125.085 122.820 -0.154 0.000 1.877 89 A HA -0.167 4.154 4.320 0.003 0.000 0.216 89 A C 1.879 179.359 177.584 -0.174 0.000 1.186 89 A CA 1.733 53.679 52.037 -0.152 0.000 0.620 89 A CB -0.923 17.986 19.000 -0.151 0.000 0.822 89 A HN 0.613 nan 8.150 nan 0.000 0.443 90 N N -0.577 118.025 118.700 -0.162 0.000 2.120 90 N HA -0.158 4.583 4.740 0.003 0.000 0.188 90 N C 1.678 177.078 175.510 -0.184 0.000 1.024 90 N CA 1.245 54.201 53.050 -0.157 0.000 0.852 90 N CB -0.228 38.191 38.487 -0.114 0.000 1.003 90 N HN 0.403 nan 8.380 nan 0.000 0.424 91 L N 1.305 122.405 121.223 -0.205 0.000 2.046 91 L HA -0.085 4.257 4.340 0.003 0.000 0.208 91 L C 1.765 178.456 176.870 -0.299 0.000 1.077 91 L CA 1.460 56.146 54.840 -0.257 0.000 0.747 91 L CB -0.418 41.443 42.059 -0.329 0.000 0.896 91 L HN 0.198 nan 8.230 nan 0.000 0.432 92 L N -0.877 120.178 121.223 -0.279 0.000 2.141 92 L HA -0.116 4.225 4.340 0.003 0.000 0.209 92 L C 2.633 179.340 176.870 -0.271 0.000 1.094 92 L CA 0.907 55.589 54.840 -0.263 0.000 0.763 92 L CB -0.860 41.096 42.059 -0.171 0.000 0.908 92 L HN 0.383 nan 8.230 nan 0.000 0.437 93 A N 0.082 122.756 122.820 -0.243 0.000 1.845 93 A HA -0.200 4.122 4.320 0.003 0.000 0.215 93 A C 2.229 179.639 177.584 -0.289 0.000 1.195 93 A CA 1.443 53.333 52.037 -0.247 0.000 0.616 93 A CB -0.751 18.115 19.000 -0.223 0.000 0.832 93 A HN 0.301 nan 8.150 nan 0.000 0.443 94 L N -0.027 121.034 121.223 -0.270 0.000 2.056 94 L HA -0.092 4.250 4.340 0.003 0.000 0.207 94 L C 2.305 178.974 176.870 -0.334 0.000 1.078 94 L CA 2.710 57.386 54.840 -0.273 0.000 0.749 94 L CB -1.622 40.315 42.059 -0.203 0.000 0.901 94 L HN 0.420 nan 8.230 nan 0.000 0.433 95 T N 0.643 114.963 114.554 -0.391 0.000 2.788 95 T HA -0.107 4.245 4.350 0.003 0.000 0.268 95 T C 1.960 176.194 174.700 -0.776 0.000 1.044 95 T CA 1.242 63.007 62.100 -0.559 0.000 1.139 95 T CB -0.278 68.197 68.868 -0.654 0.000 0.867 95 T HN 0.511 nan 8.240 nan 0.000 0.454 96 A N 1.394 123.821 122.820 -0.654 0.000 1.978 96 A HA 0.034 4.356 4.320 0.003 0.000 0.220 96 A C 2.094 179.496 177.584 -0.303 0.000 1.170 96 A CA 1.053 52.846 52.037 -0.405 0.000 0.636 96 A CB -0.786 18.066 19.000 -0.247 0.000 0.810 96 A HN 0.523 nan 8.150 nan 0.000 0.448 97 L N 0.290 121.257 121.223 -0.426 0.000 2.610 97 L HA -0.046 4.296 4.340 0.003 0.000 0.232 97 L C 2.211 178.918 176.870 -0.271 0.000 1.149 97 L CA 1.226 55.752 54.840 -0.525 0.000 0.872 97 L CB -0.525 41.046 42.059 -0.813 0.000 0.992 97 L HN 0.629 nan 8.230 nan 0.000 0.447 98 T N -5.286 109.163 114.554 -0.175 0.000 3.086 98 T HA 0.019 4.371 4.350 0.003 0.000 0.250 98 T C 0.978 175.734 174.700 0.094 0.000 1.074 98 T CA -0.167 61.910 62.100 -0.040 0.000 0.988 98 T CB 0.118 68.958 68.868 -0.047 0.000 0.988 98 T HN 0.105 nan 8.240 nan 0.000 0.530 99 S N 3.686 119.465 115.700 0.131 0.000 2.544 99 S HA 0.136 4.607 4.470 0.003 0.000 0.290 99 S C -0.883 173.836 174.600 0.198 0.000 1.276 99 S CA -1.175 57.174 58.200 0.248 0.000 1.075 99 S CB 0.814 64.134 63.200 0.199 0.000 0.849 99 S HN 0.246 nan 8.310 nan 0.000 0.494 100 P HA -0.084 nan 4.420 nan 0.000 0.228 100 P C 0.554 177.932 177.300 0.131 0.000 1.151 100 P CA 0.929 64.112 63.100 0.138 0.000 0.770 100 P CB 0.095 31.858 31.700 0.105 0.000 0.786 101 K N -0.225 120.270 120.400 0.159 0.000 2.362 101 K HA 0.029 4.351 4.320 0.003 0.000 0.200 101 K C 1.764 178.447 176.600 0.138 0.000 1.046 101 K CA 0.641 57.011 56.287 0.137 0.000 0.952 101 K CB -0.304 32.287 32.500 0.151 0.000 0.753 101 K HN 0.261 nan 8.250 nan 0.000 0.466 102 L N 0.297 121.612 121.223 0.154 0.000 2.612 102 L HA 0.073 4.414 4.340 0.003 0.000 0.230 102 L C 1.295 178.270 176.870 0.175 0.000 1.140 102 L CA -0.096 54.861 54.840 0.195 0.000 0.896 102 L CB -0.877 41.330 42.059 0.248 0.000 1.065 102 L HN 0.309 nan 8.230 nan 0.000 0.447 103 G N 0.840 109.720 108.800 0.133 0.000 2.652 103 G HA2 -0.430 3.532 3.960 0.003 0.000 0.318 103 G HA3 -0.430 3.532 3.960 0.003 0.000 0.318 103 G C 0.907 175.871 174.900 0.107 0.000 1.295 103 G CA 0.468 45.632 45.100 0.106 0.000 0.999 103 G HN 0.045 nan 8.290 nan 0.000 0.548 104 V N 2.568 122.535 119.914 0.088 0.000 2.720 104 V HA -0.034 4.087 4.120 0.003 0.000 0.256 104 V C 2.448 178.603 176.094 0.101 0.000 1.082 104 V CA 2.964 65.311 62.300 0.078 0.000 1.101 104 V CB -0.436 31.417 31.823 0.050 0.000 0.693 104 V HN 0.775 nan 8.190 nan 0.000 0.479 105 R N 0.039 120.626 120.500 0.146 0.000 2.552 105 R HA 0.457 4.799 4.340 0.003 0.000 0.314 105 R C 0.345 176.879 176.300 0.390 0.000 1.041 105 R CA 0.350 56.581 56.100 0.218 0.000 1.076 105 R CB 0.033 30.401 30.300 0.114 0.000 1.290 105 R HN 0.376 nan 8.270 nan 0.000 0.563 106 A N 1.406 124.374 122.820 0.247 0.000 2.388 106 A HA 0.337 4.659 4.320 0.003 0.000 0.257 106 A C -0.267 177.398 177.584 0.134 0.000 1.095 106 A CA -0.576 51.570 52.037 0.182 0.000 0.791 106 A CB 0.346 19.423 19.000 0.128 0.000 1.029 106 A HN 0.310 nan 8.150 nan 0.000 0.489 107 L N 2.180 123.441 121.223 0.062 0.000 2.455 107 L HA 0.259 4.601 4.340 0.003 0.000 0.272 107 L C 0.502 177.388 176.870 0.026 0.000 1.174 107 L CA 1.197 56.058 54.840 0.035 0.000 0.869 107 L CB 0.256 42.290 42.059 -0.042 0.000 1.130 107 L HN 0.706 nan 8.230 nan 0.000 0.474 108 K N 4.319 124.738 120.400 0.032 0.000 2.328 108 K HA 0.549 4.871 4.320 0.003 0.000 0.246 108 K C -2.466 174.141 176.600 0.012 0.000 0.955 108 K CA -1.778 54.525 56.287 0.026 0.000 0.817 108 K CB 1.435 33.956 32.500 0.035 0.000 1.208 108 K HN 0.231 nan 8.250 nan 0.000 0.432 109 P HA -0.022 nan 4.420 nan 0.000 0.264 109 P C 0.415 177.716 177.300 0.001 0.000 1.183 109 P CA 1.067 64.167 63.100 0.001 0.000 0.763 109 P CB 0.556 32.258 31.700 0.003 0.000 0.807 110 G N 1.856 110.653 108.800 -0.006 0.000 2.234 110 G HA2 -0.185 3.777 3.960 0.003 0.000 0.235 110 G HA3 -0.185 3.777 3.960 0.003 0.000 0.235 110 G C 0.138 175.033 174.900 -0.007 0.000 0.997 110 G CA -0.262 44.834 45.100 -0.007 0.000 0.623 110 G HN 0.493 nan 8.290 nan 0.000 0.514 111 D N 1.397 121.796 120.400 -0.002 0.000 2.360 111 D HA 0.511 5.153 4.640 0.003 0.000 0.242 111 D C 0.701 176.991 176.300 -0.016 0.000 1.184 111 D CA 0.281 54.282 54.000 0.000 0.000 0.930 111 D CB 0.607 41.418 40.800 0.017 0.000 1.161 111 D HN 0.584 nan 8.370 nan 0.000 0.447 112 E N -0.443 119.745 120.200 -0.021 0.000 2.221 112 E HA 0.568 4.920 4.350 0.003 0.000 0.268 112 E C -0.985 175.583 176.600 -0.054 0.000 0.933 112 E CA -0.975 55.398 56.400 -0.046 0.000 0.809 112 E CB 2.326 31.992 29.700 -0.056 0.000 1.190 112 E HN 0.004 nan 8.360 nan 0.000 0.406 113 V N 3.141 123.001 119.914 -0.089 0.000 2.525 113 V HA 0.317 4.439 4.120 0.003 0.000 0.299 113 V C -0.263 175.736 176.094 -0.158 0.000 1.034 113 V CA -0.653 61.587 62.300 -0.100 0.000 0.863 113 V CB 1.309 33.073 31.823 -0.098 0.000 0.999 113 V HN 0.594 nan 8.190 nan 0.000 0.423 114 I N 4.189 124.671 120.570 -0.146 0.000 2.474 114 I HA 0.513 4.685 4.170 0.003 0.000 0.287 114 I C 0.602 176.606 176.117 -0.188 0.000 1.048 114 I CA 0.811 62.006 61.300 -0.174 0.000 1.383 114 I CB 1.502 39.412 38.000 -0.150 0.000 1.412 114 I HN 0.786 nan 8.210 nan 0.000 0.531 115 T N 4.951 119.383 114.554 -0.203 0.000 2.637 115 T HA 0.600 4.952 4.350 0.003 0.000 0.303 115 T C -1.436 173.264 174.700 0.000 0.000 1.288 115 T CA -0.458 61.558 62.100 -0.140 0.000 1.040 115 T CB 1.335 70.123 68.868 -0.134 0.000 1.644 115 T HN 0.405 nan 8.240 nan 0.000 0.480 116 V N -0.145 119.840 119.914 0.118 0.000 2.914 116 V HA 0.962 5.084 4.120 0.003 0.000 0.314 116 V C 0.916 177.179 176.094 0.282 0.000 1.084 116 V CA -0.097 62.329 62.300 0.210 0.000 0.963 116 V CB 1.131 32.990 31.823 0.061 0.000 1.025 116 V HN 1.129 nan 8.190 nan 0.000 0.432 117 A N 1.941 124.769 122.820 0.012 0.000 2.178 117 A HA 0.631 4.953 4.320 0.003 0.000 0.211 117 A C 1.456 178.913 177.584 -0.211 0.000 1.157 117 A CA 0.781 52.553 52.037 -0.441 0.000 0.780 117 A CB -0.357 18.127 19.000 -0.861 0.000 0.828 117 A HN 1.779 nan 8.150 nan 0.000 0.476 118 A N 0.344 123.132 122.820 -0.053 0.000 3.078 118 A HA 0.592 4.914 4.320 0.003 0.000 0.279 118 A C 0.646 178.299 177.584 0.115 0.000 1.594 118 A CA 0.339 52.395 52.037 0.030 0.000 1.301 118 A CB -0.978 18.062 19.000 0.067 0.000 1.162 118 A HN 0.874 nan 8.150 nan 0.000 0.585 119 G N -0.515 108.364 108.800 0.132 0.000 2.753 119 G HA2 0.492 4.454 3.960 0.003 0.000 0.303 119 G HA3 0.492 4.454 3.960 0.003 0.000 0.303 119 G C -1.304 173.758 174.900 0.271 0.000 1.242 119 G CA -0.572 44.662 45.100 0.223 0.000 0.810 119 G HN 0.253 nan 8.290 nan 0.000 0.515 120 F N 2.680 122.617 119.950 -0.022 0.000 2.394 120 F HA 0.508 5.037 4.527 0.003 0.000 0.340 120 F C -0.803 174.977 175.800 -0.034 0.000 1.105 120 F CA -2.312 55.605 58.000 -0.139 0.000 1.124 120 F CB 2.102 40.839 39.000 -0.438 0.000 1.145 120 F HN 0.174 nan 8.300 nan 0.000 0.505 121 P HA -0.249 nan 4.420 nan 0.000 0.216 121 P C 1.217 178.429 177.300 -0.147 0.000 1.157 121 P CA 2.557 65.512 63.100 -0.240 0.000 0.880 121 P CB -0.503 30.975 31.700 -0.371 0.000 0.791 122 T N -4.797 109.608 114.554 -0.248 0.000 3.163 122 T HA 0.017 4.368 4.350 0.003 0.000 0.260 122 T C 1.469 176.175 174.700 0.011 0.000 1.156 122 T CA 1.042 63.103 62.100 -0.063 0.000 1.072 122 T CB -1.297 67.563 68.868 -0.013 0.000 0.937 122 T HN 0.059 nan 8.240 nan 0.000 0.528 123 T N 0.979 115.561 114.554 0.048 0.000 3.014 123 T HA 0.127 4.478 4.350 0.003 0.000 0.263 123 T C 1.793 176.504 174.700 0.018 0.000 1.078 123 T CA 0.578 62.696 62.100 0.029 0.000 1.135 123 T CB 0.017 68.914 68.868 0.048 0.000 0.895 123 T HN 0.344 nan 8.240 nan 0.000 0.480 124 V N 1.304 121.256 119.914 0.064 0.000 3.379 124 V HA 0.078 4.199 4.120 0.003 0.000 0.249 124 V C 2.062 178.212 176.094 0.094 0.000 1.184 124 V CA 0.313 62.671 62.300 0.097 0.000 1.106 124 V CB -0.232 31.728 31.823 0.229 0.000 0.826 124 V HN 0.272 nan 8.190 nan 0.000 0.465 125 N N 1.202 119.959 118.700 0.094 0.000 2.060 125 N HA -0.154 4.588 4.740 0.003 0.000 0.195 125 N C -0.659 174.846 175.510 -0.008 0.000 1.028 125 N CA 2.023 55.109 53.050 0.059 0.000 0.861 125 N CB -1.734 36.754 38.487 0.002 0.000 1.029 125 N HN 0.356 nan 8.380 nan 0.000 0.428 126 P HA -0.099 nan 4.420 nan 0.000 0.217 126 P C 1.336 178.591 177.300 -0.074 0.000 1.151 126 P CA 1.535 64.584 63.100 -0.085 0.000 0.849 126 P CB -0.118 31.511 31.700 -0.119 0.000 0.787 127 T N -0.539 113.980 114.554 -0.058 0.000 2.674 127 T HA -0.125 4.227 4.350 0.003 0.000 0.265 127 T C 1.718 176.393 174.700 -0.042 0.000 1.039 127 T CA 1.281 63.346 62.100 -0.058 0.000 1.150 127 T CB -0.915 67.919 68.868 -0.057 0.000 0.864 127 T HN 0.093 nan 8.240 nan 0.000 0.427 128 I N 0.969 121.524 120.570 -0.024 0.000 2.315 128 I HA -0.163 4.008 4.170 0.003 0.000 0.248 128 I C 2.593 178.693 176.117 -0.028 0.000 1.117 128 I CA 1.231 62.513 61.300 -0.030 0.000 1.404 128 I CB -0.485 37.488 38.000 -0.046 0.000 1.071 128 I HN 0.284 nan 8.210 nan 0.000 0.419 129 Q N 0.591 120.376 119.800 -0.025 0.000 2.297 129 Q HA -0.124 4.218 4.340 0.003 0.000 0.204 129 Q C 1.101 177.093 176.000 -0.013 0.000 0.962 129 Q CA 1.071 56.864 55.803 -0.016 0.000 0.879 129 Q CB -0.167 28.561 28.738 -0.016 0.000 0.947 129 Q HN 0.524 nan 8.270 nan 0.000 0.462 130 N N -1.033 117.648 118.700 -0.031 0.000 2.270 130 N HA 0.124 4.866 4.740 0.003 0.000 0.198 130 N C 0.312 175.808 175.510 -0.024 0.000 1.117 130 N CA 0.508 53.538 53.050 -0.033 0.000 0.845 130 N CB 1.194 39.639 38.487 -0.068 0.000 0.980 130 N HN 0.295 nan 8.380 nan 0.000 0.486 131 G N -0.230 108.558 108.800 -0.021 0.000 2.176 131 G HA2 -0.258 3.703 3.960 0.003 0.000 0.253 131 G HA3 -0.258 3.703 3.960 0.003 0.000 0.253 131 G C -0.053 174.835 174.900 -0.020 0.000 0.979 131 G CA -0.033 45.057 45.100 -0.017 0.000 0.641 131 G HN 0.136 nan 8.290 nan 0.000 0.530 132 L N 0.574 121.780 121.223 -0.028 0.000 2.469 132 L HA 0.675 5.017 4.340 0.003 0.000 0.253 132 L C 0.813 177.665 176.870 -0.030 0.000 1.143 132 L CA -0.670 54.151 54.840 -0.030 0.000 0.804 132 L CB 0.605 42.639 42.059 -0.040 0.000 1.214 132 L HN 0.053 nan 8.230 nan 0.000 0.476 133 I N 1.638 122.187 120.570 -0.035 0.000 2.382 133 I HA 0.338 4.509 4.170 0.003 0.000 0.286 133 I C -2.358 173.715 176.117 -0.073 0.000 1.002 133 I CA -2.403 58.879 61.300 -0.030 0.000 1.135 133 I CB 1.167 39.154 38.000 -0.022 0.000 1.288 133 I HN 0.253 nan 8.210 nan 0.000 0.448 134 P HA 0.233 nan 4.420 nan 0.000 0.276 134 P C -0.596 176.462 177.300 -0.403 0.000 1.230 134 P CA -0.209 62.705 63.100 -0.310 0.000 0.776 134 P CB 1.022 32.500 31.700 -0.370 0.000 0.888 135 V N 4.969 124.608 119.914 -0.458 0.000 2.407 135 V HA 0.380 4.502 4.120 0.003 0.000 0.291 135 V C -0.342 175.539 176.094 -0.355 0.000 1.018 135 V CA -0.374 61.750 62.300 -0.294 0.000 0.842 135 V CB 0.342 32.078 31.823 -0.145 0.000 0.996 135 V HN 0.372 nan 8.190 nan 0.000 0.426 136 F N 4.351 124.315 119.950 0.022 0.000 2.399 136 F HA 0.761 5.290 4.527 0.003 0.000 0.334 136 F C 0.346 176.129 175.800 -0.028 0.000 1.097 136 F CA -0.804 57.181 58.000 -0.025 0.000 1.076 136 F CB 1.815 40.783 39.000 -0.053 0.000 1.162 136 F HN 0.399 nan 8.300 nan 0.000 0.495 137 V N -1.281 118.725 119.914 0.153 0.000 3.040 137 V HA 0.561 4.683 4.120 0.003 0.000 0.312 137 V C -0.805 175.320 176.094 0.051 0.000 1.115 137 V CA -0.994 61.346 62.300 0.067 0.000 0.998 137 V CB 1.814 33.642 31.823 0.009 0.000 1.042 137 V HN 0.608 nan 8.190 nan 0.000 0.433 138 D N 0.876 121.291 120.400 0.025 0.000 2.361 138 D HA 0.455 5.097 4.640 0.003 0.000 0.239 138 D C 0.191 176.495 176.300 0.007 0.000 1.200 138 D CA 0.422 54.428 54.000 0.011 0.000 0.915 138 D CB 1.664 42.467 40.800 0.005 0.000 1.170 138 D HN 0.942 nan 8.370 nan 0.000 0.444 139 V N -0.729 119.190 119.914 0.008 0.000 3.193 139 V HA 0.548 4.670 4.120 0.003 0.000 0.320 139 V C -0.023 176.064 176.094 -0.012 0.000 1.112 139 V CA -0.823 61.483 62.300 0.011 0.000 1.026 139 V CB 1.716 33.563 31.823 0.041 0.000 1.128 139 V HN 0.560 nan 8.190 nan 0.000 0.452 140 D N -0.140 120.241 120.400 -0.031 0.000 2.269 140 D HA 0.543 5.185 4.640 0.003 0.000 0.244 140 D C -1.205 174.974 176.300 -0.202 0.000 0.992 140 D CA -0.503 53.451 54.000 -0.077 0.000 0.894 140 D CB 2.162 42.932 40.800 -0.048 0.000 1.248 140 D HN 0.617 nan 8.370 nan 0.000 0.468 141 I N 2.609 123.037 120.570 -0.237 0.000 2.545 141 I HA 0.240 4.412 4.170 0.003 0.000 0.292 141 I C -1.899 174.057 176.117 -0.269 0.000 1.040 141 I CA -1.983 59.060 61.300 -0.428 0.000 1.068 141 I CB 2.755 40.591 38.000 -0.274 0.000 1.251 141 I HN 0.250 nan 8.210 nan 0.000 0.424 142 P HA 0.114 nan 4.420 nan 0.000 0.236 142 P C 0.631 177.689 177.300 -0.402 0.000 1.749 142 P CA -0.021 62.782 63.100 -0.495 0.000 0.994 142 P CB -0.134 31.479 31.700 -0.145 0.000 1.599 143 T N -5.473 108.879 114.554 -0.336 0.000 3.015 143 T HA 0.002 4.354 4.350 0.003 0.000 0.250 143 T C 0.756 175.518 174.700 0.102 0.000 1.057 143 T CA -0.024 62.074 62.100 -0.004 0.000 1.066 143 T CB -0.925 67.963 68.868 0.035 0.000 0.959 143 T HN 0.023 nan 8.240 nan 0.000 0.488 144 Y N 0.937 121.284 120.300 0.077 0.000 4.079 144 Y HA -0.221 4.331 4.550 0.003 0.000 0.223 144 Y C 0.237 176.183 175.900 0.076 0.000 1.155 144 Y CA 0.213 58.353 58.100 0.068 0.000 1.805 144 Y CB -2.878 35.621 38.460 0.065 0.000 1.571 144 Y HN 0.381 nan 8.280 nan 0.000 0.654 145 N N -1.531 117.250 118.700 0.134 0.000 2.381 145 N HA 0.581 5.323 4.740 0.003 0.000 0.294 145 N C -0.834 174.722 175.510 0.076 0.000 1.216 145 N CA -0.709 52.424 53.050 0.138 0.000 0.803 145 N CB 1.659 40.261 38.487 0.191 0.000 1.372 145 N HN 0.036 nan 8.380 nan 0.000 0.500 146 V N 1.225 121.165 119.914 0.043 0.000 2.752 146 V HA -0.115 4.007 4.120 0.003 0.000 0.306 146 V C 0.282 176.378 176.094 0.004 0.000 1.099 146 V CA 0.570 62.862 62.300 -0.013 0.000 1.240 146 V CB -0.070 31.684 31.823 -0.115 0.000 0.887 146 V HN 0.755 nan 8.190 nan 0.000 0.499 147 N N 5.339 124.036 118.700 -0.005 0.000 2.739 147 N HA 0.278 5.020 4.740 0.003 0.000 0.266 147 N C 1.287 176.793 175.510 -0.007 0.000 1.168 147 N CA 0.232 53.282 53.050 0.000 0.000 1.055 147 N CB 0.452 38.937 38.487 -0.003 0.000 1.393 147 N HN 0.927 nan 8.380 nan 0.000 0.514 148 A N 2.111 124.931 122.820 0.000 0.000 2.067 148 A HA -0.295 4.027 4.320 0.003 0.000 0.224 148 A C 2.273 179.854 177.584 -0.006 0.000 1.172 148 A CA 2.233 54.264 52.037 -0.008 0.000 0.662 148 A CB -0.807 18.207 19.000 0.023 0.000 0.814 148 A HN 0.787 nan 8.150 nan 0.000 0.468 149 S N -0.518 115.185 115.700 0.005 0.000 2.447 149 S HA -0.005 4.467 4.470 0.003 0.000 0.233 149 S C 1.566 176.164 174.600 -0.003 0.000 1.006 149 S CA 1.319 59.523 58.200 0.006 0.000 0.957 149 S CB -0.552 62.655 63.200 0.011 0.000 0.773 149 S HN 0.519 nan 8.310 nan 0.000 0.507 150 L N 0.256 121.472 121.223 -0.011 0.000 2.509 150 L HA 0.279 4.621 4.340 0.003 0.000 0.222 150 L C 2.188 179.038 176.870 -0.034 0.000 1.123 150 L CA 0.192 55.023 54.840 -0.016 0.000 0.856 150 L CB -0.472 41.580 42.059 -0.011 0.000 0.985 150 L HN 0.277 nan 8.230 nan 0.000 0.456 151 I N 0.515 121.057 120.570 -0.047 0.000 2.179 151 I HA -0.305 3.867 4.170 0.003 0.000 0.242 151 I C 2.594 178.652 176.117 -0.097 0.000 1.088 151 I CA 1.489 62.743 61.300 -0.077 0.000 1.357 151 I CB -0.141 37.806 38.000 -0.089 0.000 1.051 151 I HN 0.301 nan 8.210 nan 0.000 0.409 152 E N 1.418 121.574 120.200 -0.074 0.000 2.130 152 E HA -0.265 4.087 4.350 0.003 0.000 0.196 152 E C 2.061 178.598 176.600 -0.106 0.000 0.998 152 E CA 1.762 58.107 56.400 -0.091 0.000 0.806 152 E CB -0.090 29.607 29.700 -0.004 0.000 0.738 152 E HN 0.483 nan 8.360 nan 0.000 0.459 153 A N 0.093 122.875 122.820 -0.062 0.000 2.119 153 A HA 0.163 4.485 4.320 0.003 0.000 0.217 153 A C 2.201 179.745 177.584 -0.066 0.000 1.153 153 A CA 1.196 53.203 52.037 -0.049 0.000 0.692 153 A CB -0.397 18.589 19.000 -0.023 0.000 0.799 153 A HN 0.385 nan 8.150 nan 0.000 0.458 154 A N -0.482 122.286 122.820 -0.087 0.000 2.123 154 A HA 0.364 4.686 4.320 0.003 0.000 0.214 154 A C 0.943 178.452 177.584 -0.125 0.000 1.152 154 A CA 0.284 52.269 52.037 -0.086 0.000 0.728 154 A CB -0.414 18.537 19.000 -0.081 0.000 0.814 154 A HN 0.237 nan 8.150 nan 0.000 0.464 155 V N 1.631 121.428 119.914 -0.196 0.000 2.655 155 V HA 0.391 4.512 4.120 0.003 0.000 0.300 155 V C 0.726 176.714 176.094 -0.178 0.000 1.044 155 V CA 0.606 62.739 62.300 -0.278 0.000 1.095 155 V CB 0.651 32.102 31.823 -0.620 0.000 0.952 155 V HN 0.684 nan 8.190 nan 0.000 0.485 156 S N 1.815 117.440 115.700 -0.126 0.000 2.819 156 S HA 0.331 4.803 4.470 0.003 0.000 0.299 156 S C 0.645 175.235 174.600 -0.017 0.000 1.192 156 S CA -0.102 58.067 58.200 -0.052 0.000 0.847 156 S CB 1.544 64.720 63.200 -0.041 0.000 1.224 156 S HN 0.708 nan 8.310 nan 0.000 0.537 157 D N 0.520 120.922 120.400 0.004 0.000 2.218 157 D HA -0.117 4.524 4.640 0.003 0.000 0.204 157 D C 1.159 177.467 176.300 0.013 0.000 0.976 157 D CA 0.972 54.984 54.000 0.020 0.000 0.853 157 D CB -0.215 40.596 40.800 0.017 0.000 0.939 157 D HN 0.576 nan 8.370 nan 0.000 0.481 158 K N 0.025 120.424 120.400 -0.001 0.000 2.361 158 K HA 0.065 4.387 4.320 0.003 0.000 0.196 158 K C 0.442 177.038 176.600 -0.006 0.000 1.039 158 K CA 0.040 56.326 56.287 -0.001 0.000 1.001 158 K CB 0.292 32.787 32.500 -0.009 0.000 0.795 158 K HN 0.008 nan 8.250 nan 0.000 0.495 159 T N 1.548 116.087 114.554 -0.024 0.000 2.933 159 T HA -0.036 4.316 4.350 0.003 0.000 0.306 159 T C 0.887 175.587 174.700 0.001 0.000 1.045 159 T CA 0.838 62.915 62.100 -0.039 0.000 1.143 159 T CB 0.820 69.633 68.868 -0.092 0.000 1.003 159 T HN 0.074 nan 8.240 nan 0.000 0.540 160 K N 0.769 121.181 120.400 0.019 0.000 2.548 160 K HA 0.574 4.896 4.320 0.003 0.000 0.209 160 K C -0.009 176.676 176.600 0.141 0.000 1.420 160 K CA 0.302 56.639 56.287 0.084 0.000 0.985 160 K CB 0.983 33.541 32.500 0.096 0.000 1.249 160 K HN 0.729 nan 8.250 nan 0.000 0.557 161 A N 0.012 122.881 122.820 0.082 0.000 2.599 161 A HA 0.679 5.001 4.320 0.003 0.000 0.290 161 A C -1.703 175.885 177.584 0.006 0.000 1.101 161 A CA -0.699 51.401 52.037 0.105 0.000 0.674 161 A CB 0.920 20.006 19.000 0.144 0.000 1.277 161 A HN 0.042 nan 8.150 nan 0.000 0.419 162 I N 0.861 121.432 120.570 0.002 0.000 2.468 162 I HA 0.475 4.647 4.170 0.003 0.000 0.285 162 I C -0.609 175.458 176.117 -0.085 0.000 1.039 162 I CA -0.006 61.248 61.300 -0.075 0.000 1.074 162 I CB 1.821 39.761 38.000 -0.100 0.000 1.228 162 I HN 0.715 nan 8.210 nan 0.000 0.436 163 M N 8.356 127.884 119.600 -0.120 0.000 2.085 163 M HA 0.641 5.123 4.480 0.003 0.000 0.309 163 M C -1.783 174.423 176.300 -0.157 0.000 0.947 163 M CA -0.118 55.113 55.300 -0.116 0.000 0.918 163 M CB 1.124 33.666 32.600 -0.097 0.000 1.504 163 M HN 0.473 nan 8.290 nan 0.000 0.420 164 I N 2.807 123.258 120.570 -0.199 0.000 2.994 164 I HA 0.777 4.948 4.170 0.003 0.000 0.306 164 I C -0.725 175.320 176.117 -0.119 0.000 1.195 164 I CA -1.068 60.087 61.300 -0.242 0.000 1.001 164 I CB 2.462 40.114 38.000 -0.581 0.000 1.244 164 I HN 0.721 nan 8.210 nan 0.000 0.437 165 A N 1.646 124.434 122.820 -0.054 0.000 2.325 165 A HA 0.581 4.902 4.320 0.003 0.000 0.333 165 A C -1.000 176.627 177.584 0.071 0.000 1.155 165 A CA -0.445 51.588 52.037 -0.007 0.000 0.814 165 A CB 0.242 19.240 19.000 -0.003 0.000 1.206 165 A HN 0.808 nan 8.150 nan 0.000 0.482 166 H N 1.483 120.651 119.070 0.163 0.000 3.092 166 H HA 0.179 4.736 4.556 0.003 0.000 0.263 166 H C 0.081 175.422 175.328 0.022 0.000 1.611 166 H CA 0.163 56.253 56.048 0.069 0.000 1.457 166 H CB -0.194 29.505 29.762 -0.104 0.000 1.731 166 H HN 0.621 nan 8.280 nan 0.000 0.532 167 T N 4.577 119.222 114.554 0.151 0.000 2.800 167 T HA -0.102 4.250 4.350 0.003 0.000 0.283 167 T C 1.175 175.906 174.700 0.052 0.000 0.999 167 T CA 0.225 62.389 62.100 0.107 0.000 1.176 167 T CB -0.047 68.918 68.868 0.162 0.000 0.973 167 T HN 0.693 nan 8.240 nan 0.000 0.519 168 L N 2.194 123.394 121.223 -0.039 0.000 4.179 168 L HA -0.325 4.017 4.340 0.003 0.000 0.418 168 L C 1.620 178.537 176.870 0.078 0.000 1.168 168 L CA 0.714 55.524 54.840 -0.050 0.000 0.972 168 L CB -2.106 39.924 42.059 -0.047 0.000 2.005 168 L HN 1.130 nan 8.230 nan 0.000 0.935 169 G N -1.469 107.337 108.800 0.009 0.000 2.241 169 G HA2 -0.326 3.636 3.960 0.003 0.000 0.244 169 G HA3 -0.326 3.636 3.960 0.003 0.000 0.244 169 G C 0.164 174.828 174.900 -0.393 0.000 0.998 169 G CA 0.364 45.413 45.100 -0.084 0.000 0.621 169 G HN 0.461 nan 8.290 nan 0.000 0.519 170 N N 0.553 118.990 118.700 -0.437 0.000 2.525 170 N HA 0.539 5.281 4.740 0.003 0.000 0.271 170 N C 0.347 175.726 175.510 -0.219 0.000 1.194 170 N CA -0.237 52.489 53.050 -0.539 0.000 0.964 170 N CB 0.474 38.757 38.487 -0.341 0.000 1.126 170 N HN 0.276 nan 8.380 nan 0.000 0.452 171 L N 2.965 124.040 121.223 -0.246 0.000 2.399 171 L HA 0.428 4.770 4.340 0.003 0.000 0.266 171 L C 0.114 177.002 176.870 0.030 0.000 1.114 171 L CA -0.684 54.025 54.840 -0.219 0.000 0.804 171 L CB 0.240 42.065 42.059 -0.389 0.000 1.146 171 L HN 0.444 nan 8.230 nan 0.000 0.451 172 F N -1.646 118.430 119.950 0.210 0.000 2.378 172 F HA 0.363 4.891 4.527 0.003 0.000 0.325 172 F C 0.577 176.316 175.800 -0.101 0.000 1.097 172 F CA -1.686 56.332 58.000 0.029 0.000 1.079 172 F CB 0.057 39.038 39.000 -0.032 0.000 1.240 172 F HN 0.417 nan 8.300 nan 0.000 0.519 173 D N 2.408 122.960 120.400 0.253 0.000 2.501 173 D HA -0.055 4.587 4.640 0.003 0.000 0.268 173 D C 1.121 177.408 176.300 -0.022 0.000 1.361 173 D CA 0.593 54.663 54.000 0.116 0.000 1.258 173 D CB -0.143 40.733 40.800 0.128 0.000 1.136 173 D HN 0.719 nan 8.370 nan 0.000 0.528 174 L N 2.207 123.035 121.223 -0.658 0.000 2.191 174 L HA -0.185 4.157 4.340 0.003 0.000 0.212 174 L C 2.348 179.039 176.870 -0.298 0.000 1.103 174 L CA 1.034 55.441 54.840 -0.721 0.000 0.769 174 L CB -0.123 40.903 42.059 -1.722 0.000 0.908 174 L HN 0.385 nan 8.230 nan 0.000 0.438 175 A N -0.180 122.573 122.820 -0.112 0.000 1.873 175 A HA -0.234 4.088 4.320 0.003 0.000 0.215 175 A C 2.193 179.820 177.584 0.072 0.000 1.186 175 A CA 1.786 53.878 52.037 0.093 0.000 0.616 175 A CB -0.356 18.766 19.000 0.203 0.000 0.823 175 A HN 0.360 nan 8.150 nan 0.000 0.442 176 E N -0.110 120.130 120.200 0.066 0.000 2.107 176 E HA -0.071 4.280 4.350 0.003 0.000 0.191 176 E C 1.793 178.421 176.600 0.046 0.000 0.982 176 E CA 1.359 57.793 56.400 0.058 0.000 0.809 176 E CB -0.368 29.364 29.700 0.052 0.000 0.756 176 E HN 0.220 nan 8.360 nan 0.000 0.459 177 V N 0.669 120.610 119.914 0.044 0.000 2.295 177 V HA -0.224 3.898 4.120 0.003 0.000 0.246 177 V C 2.513 178.642 176.094 0.058 0.000 1.049 177 V CA 1.988 64.304 62.300 0.028 0.000 1.024 177 V CB -0.541 31.320 31.823 0.064 0.000 0.648 177 V HN 0.164 nan 8.190 nan 0.000 0.447 178 R N 0.149 120.695 120.500 0.078 0.000 2.083 178 R HA -0.138 4.204 4.340 0.003 0.000 0.237 178 R C 2.481 178.832 176.300 0.085 0.000 1.137 178 R CA 1.750 57.908 56.100 0.097 0.000 0.951 178 R CB -0.623 29.745 30.300 0.113 0.000 0.851 178 R HN 0.375 nan 8.270 nan 0.000 0.434 179 R N -0.345 120.202 120.500 0.078 0.000 2.083 179 R HA -0.114 4.228 4.340 0.003 0.000 0.237 179 R C 1.950 178.306 176.300 0.093 0.000 1.137 179 R CA 1.919 58.064 56.100 0.075 0.000 0.951 179 R CB -0.267 30.075 30.300 0.070 0.000 0.851 179 R HN 0.156 nan 8.270 nan 0.000 0.434 180 V N 0.776 120.751 119.914 0.102 0.000 2.358 180 V HA -0.185 3.936 4.120 0.003 0.000 0.246 180 V C 2.508 178.714 176.094 0.187 0.000 1.047 180 V CA 1.744 64.138 62.300 0.157 0.000 1.035 180 V CB -0.754 31.108 31.823 0.064 0.000 0.658 180 V HN 0.466 nan 8.190 nan 0.000 0.452 181 A N 0.390 123.272 122.820 0.103 0.000 1.883 181 A HA -0.264 4.058 4.320 0.003 0.000 0.217 181 A C 1.977 179.609 177.584 0.081 0.000 1.186 181 A CA 2.215 54.303 52.037 0.085 0.000 0.624 181 A CB -0.689 18.352 19.000 0.068 0.000 0.822 181 A HN 0.540 nan 8.150 nan 0.000 0.444 182 D N -0.489 119.949 120.400 0.064 0.000 2.084 182 D HA -0.158 4.484 4.640 0.003 0.000 0.194 182 D C 1.882 178.180 176.300 -0.003 0.000 0.990 182 D CA 1.639 55.652 54.000 0.023 0.000 0.826 182 D CB -0.388 40.426 40.800 0.023 0.000 0.971 182 D HN 0.587 nan 8.370 nan 0.000 0.453 183 K N -0.307 120.096 120.400 0.005 0.000 2.113 183 K HA -0.189 4.133 4.320 0.003 0.000 0.208 183 K C 1.107 177.525 176.600 -0.303 0.000 1.047 183 K CA 1.258 57.456 56.287 -0.149 0.000 0.928 183 K CB -0.109 32.296 32.500 -0.157 0.000 0.716 183 K HN 0.227 nan 8.250 nan 0.000 0.446 184 Y N 0.494 120.775 120.300 -0.032 0.000 2.485 184 Y HA 0.233 4.785 4.550 0.003 0.000 0.260 184 Y C -0.100 175.762 175.900 -0.063 0.000 1.173 184 Y CA -0.445 57.631 58.100 -0.039 0.000 1.252 184 Y CB 0.358 38.800 38.460 -0.030 0.000 1.123 184 Y HN 0.095 nan 8.280 nan 0.000 0.524 185 N N 0.949 119.662 118.700 0.021 0.000 2.740 185 N HA -0.191 4.551 4.740 0.003 0.000 0.248 185 N C -0.920 174.517 175.510 -0.121 0.000 1.062 185 N CA 0.646 53.650 53.050 -0.078 0.000 0.704 185 N CB -1.477 36.948 38.487 -0.104 0.000 0.968 185 N HN 0.365 nan 8.380 nan 0.000 0.547 186 L N -0.562 120.635 121.223 -0.043 0.000 2.357 186 L HA 0.416 4.757 4.340 0.003 0.000 0.273 186 L C 0.949 177.802 176.870 -0.028 0.000 1.080 186 L CA -0.810 54.014 54.840 -0.026 0.000 0.803 186 L CB 0.484 42.567 42.059 0.040 0.000 1.174 186 L HN 0.041 nan 8.230 nan 0.000 0.443 187 W N 2.579 123.883 121.300 0.008 0.000 2.202 187 W HA 0.419 5.080 4.660 0.003 0.000 0.332 187 W C -0.295 176.220 176.519 -0.006 0.000 1.263 187 W CA -0.218 57.128 57.345 0.002 0.000 1.223 187 W CB 0.769 30.221 29.460 -0.013 0.000 1.128 187 W HN 0.165 nan 8.180 nan 0.000 0.573 188 L N 4.831 126.228 121.223 0.291 0.000 2.372 188 L HA 0.566 4.908 4.340 0.003 0.000 0.274 188 L C -1.196 175.751 176.870 0.128 0.000 0.988 188 L CA -0.773 54.165 54.840 0.163 0.000 0.833 188 L CB 0.776 42.928 42.059 0.155 0.000 1.236 188 L HN 0.329 nan 8.230 nan 0.000 0.410 189 I N 4.468 125.069 120.570 0.052 0.000 2.355 189 I HA 0.330 4.501 4.170 0.003 0.000 0.288 189 I C -0.172 175.947 176.117 0.003 0.000 0.999 189 I CA -0.429 60.867 61.300 -0.006 0.000 1.163 189 I CB 1.510 39.465 38.000 -0.075 0.000 1.316 189 I HN 0.588 nan 8.210 nan 0.000 0.454 190 E N 5.075 125.291 120.200 0.026 0.000 2.044 190 E HA 0.066 4.418 4.350 0.003 0.000 0.282 190 E C -0.798 175.795 176.600 -0.012 0.000 1.031 190 E CA -0.443 55.993 56.400 0.059 0.000 0.824 190 E CB 0.945 30.743 29.700 0.163 0.000 1.076 190 E HN 0.359 nan 8.360 nan 0.000 0.395 191 D N 3.381 123.764 120.400 -0.028 0.000 2.393 191 D HA 0.049 4.690 4.640 0.003 0.000 0.232 191 D C -0.366 175.952 176.300 0.030 0.000 1.192 191 D CA -0.487 53.493 54.000 -0.034 0.000 0.882 191 D CB 0.258 41.029 40.800 -0.047 0.000 1.038 191 D HN 0.355 nan 8.370 nan 0.000 0.499 192 C N 3.494 122.854 119.300 0.099 0.000 2.668 192 C HA 0.137 4.598 4.460 0.003 0.000 0.301 192 C C 2.389 177.465 174.990 0.143 0.000 1.351 192 C CA -0.634 58.501 59.018 0.195 0.000 1.757 192 C CB -1.613 26.322 27.740 0.326 0.000 2.179 192 C HN 0.741 nan 8.230 nan 0.000 0.586 193 C N 1.407 120.740 119.300 0.055 0.000 2.403 193 C HA -0.145 4.317 4.460 0.003 0.000 0.279 193 C C 1.643 176.765 174.990 0.219 0.000 1.269 193 C CA 1.531 60.574 59.018 0.041 0.000 1.774 193 C CB -0.775 26.915 27.740 -0.083 0.000 1.993 193 C HN 0.643 nan 8.230 nan 0.000 0.496 194 D N -0.832 119.626 120.400 0.097 0.000 2.479 194 D HA 0.273 4.915 4.640 0.003 0.000 0.218 194 D C 0.838 177.325 176.300 0.312 0.000 1.177 194 D CA 0.332 54.402 54.000 0.117 0.000 0.830 194 D CB 0.217 40.685 40.800 -0.553 0.000 1.014 194 D HN 0.450 nan 8.370 nan 0.000 0.503 195 A N 0.704 123.629 122.820 0.174 0.000 2.643 195 A HA 0.235 4.556 4.320 0.003 0.000 0.295 195 A C 0.178 177.691 177.584 -0.118 0.000 1.065 195 A CA -0.454 51.603 52.037 0.034 0.000 0.986 195 A CB 0.022 19.042 19.000 0.033 0.000 1.212 195 A HN 0.116 nan 8.150 nan 0.000 0.516 196 L N 0.990 122.058 121.223 -0.258 0.000 2.597 196 L HA 0.496 4.837 4.340 0.003 0.000 0.271 196 L C 1.132 177.872 176.870 -0.218 0.000 1.157 196 L CA 1.995 56.735 54.840 -0.166 0.000 0.928 196 L CB -0.055 41.979 42.059 -0.042 0.000 1.216 196 L HN 0.867 nan 8.230 nan 0.000 0.481 197 G N 2.195 111.015 108.800 0.033 0.000 2.238 197 G HA2 -0.232 3.730 3.960 0.003 0.000 0.217 197 G HA3 -0.232 3.730 3.960 0.003 0.000 0.217 197 G C 0.499 175.382 174.900 -0.028 0.000 0.996 197 G CA 0.069 45.231 45.100 0.102 0.000 0.632 197 G HN 0.771 nan 8.290 nan 0.000 0.503 198 S N 1.114 116.751 115.700 -0.105 0.000 2.579 198 S HA 0.571 5.042 4.470 0.003 0.000 0.275 198 S C 0.562 175.078 174.600 -0.140 0.000 1.345 198 S CA 0.885 58.983 58.200 -0.170 0.000 1.031 198 S CB 1.278 64.316 63.200 -0.270 0.000 0.892 198 S HN 1.431 nan 8.310 nan 0.000 0.529 199 T N -0.008 114.466 114.554 -0.135 0.000 2.903 199 T HA 0.621 4.973 4.350 0.003 0.000 0.299 199 T C -1.460 173.221 174.700 -0.032 0.000 1.093 199 T CA -0.706 61.364 62.100 -0.049 0.000 1.002 199 T CB 1.293 70.137 68.868 -0.041 0.000 1.127 199 T HN 0.531 nan 8.240 nan 0.000 0.488 200 Y N 1.163 121.418 120.300 -0.074 0.000 2.354 200 Y HA 0.453 5.005 4.550 0.003 0.000 0.330 200 Y C 0.091 176.023 175.900 0.052 0.000 1.011 200 Y CA -0.397 57.626 58.100 -0.129 0.000 1.099 200 Y CB 1.630 39.840 38.460 -0.417 0.000 1.179 200 Y HN 1.075 nan 8.280 nan 0.000 0.442 201 D N 4.394 124.599 120.400 -0.325 0.000 2.772 201 D HA -0.187 4.455 4.640 0.003 0.000 0.233 201 D C 1.140 177.446 176.300 0.011 0.000 1.143 201 D CA 2.361 56.277 54.000 -0.140 0.000 0.700 201 D CB -1.062 39.757 40.800 0.031 0.000 1.076 201 D HN 1.417 nan 8.370 nan 0.000 0.430 202 G N -0.386 108.405 108.800 -0.015 0.000 2.245 202 G HA2 -0.410 3.552 3.960 0.003 0.000 0.264 202 G HA3 -0.410 3.552 3.960 0.003 0.000 0.264 202 G C 0.395 175.303 174.900 0.014 0.000 0.985 202 G CA 0.763 45.858 45.100 -0.009 0.000 0.625 202 G HN 0.725 nan 8.290 nan 0.000 0.536 203 K N 0.399 120.862 120.400 0.105 0.000 2.183 203 K HA 0.636 4.957 4.320 0.003 0.000 0.274 203 K C 0.776 177.454 176.600 0.131 0.000 1.009 203 K CA -1.008 55.303 56.287 0.040 0.000 0.888 203 K CB 0.533 32.958 32.500 -0.124 0.000 1.078 203 K HN 0.090 nan 8.250 nan 0.000 0.459 204 M N 3.672 123.262 119.600 -0.017 0.000 2.240 204 M HA -0.021 4.461 4.480 0.003 0.000 0.346 204 M C -0.488 175.902 176.300 0.151 0.000 1.236 204 M CA 0.658 55.950 55.300 -0.013 0.000 0.986 204 M CB 0.420 32.937 32.600 -0.139 0.000 1.786 204 M HN 0.692 nan 8.290 nan 0.000 0.457 205 A N 4.036 126.916 122.820 0.100 0.000 2.477 205 A HA 0.494 4.816 4.320 0.003 0.000 0.246 205 A C 1.210 178.952 177.584 0.265 0.000 1.078 205 A CA 0.243 52.350 52.037 0.117 0.000 0.770 205 A CB -0.733 18.161 19.000 -0.176 0.000 1.011 205 A HN 1.808 nan 8.150 nan 0.000 0.494 206 G N 1.030 110.085 108.800 0.425 0.000 2.176 206 G HA2 -0.200 3.761 3.960 0.003 0.000 0.232 206 G HA3 -0.200 3.761 3.960 0.003 0.000 0.232 206 G C 0.714 175.926 174.900 0.520 0.000 0.986 206 G CA 1.098 46.529 45.100 0.552 0.000 0.643 206 G HN 2.054 nan 8.290 nan 0.000 0.522 207 T N -2.537 112.221 114.554 0.339 0.000 3.129 207 T HA 0.565 4.917 4.350 0.003 0.000 0.267 207 T C 1.449 176.137 174.700 -0.019 0.000 1.018 207 T CA 0.565 62.735 62.100 0.117 0.000 0.903 207 T CB -0.213 68.611 68.868 -0.075 0.000 1.067 207 T HN 0.131 nan 8.240 nan 0.000 0.549 208 F N 1.934 121.943 119.950 0.099 0.000 2.505 208 F HA 0.499 5.028 4.527 0.003 0.000 0.289 208 F C 1.895 177.753 175.800 0.097 0.000 1.101 208 F CA -0.405 57.640 58.000 0.075 0.000 1.446 208 F CB -0.362 38.659 39.000 0.035 0.000 1.123 208 F HN 0.356 nan 8.300 nan 0.000 0.564 209 G N -0.510 108.476 108.800 0.309 0.000 2.537 209 G HA2 0.118 4.080 3.960 0.003 0.000 0.297 209 G HA3 0.118 4.080 3.960 0.003 0.000 0.297 209 G C 0.329 175.342 174.900 0.189 0.000 1.310 209 G CA -0.286 44.950 45.100 0.226 0.000 1.027 209 G HN 0.058 nan 8.290 nan 0.000 0.505 210 D N -0.995 119.525 120.400 0.200 0.000 2.194 210 D HA 0.009 4.651 4.640 0.003 0.000 0.204 210 D C 0.622 176.994 176.300 0.120 0.000 0.964 210 D CA 1.180 55.312 54.000 0.220 0.000 0.846 210 D CB 0.540 41.588 40.800 0.413 0.000 0.962 210 D HN 0.140 nan 8.370 nan 0.000 0.490 211 I N -0.250 120.343 120.570 0.038 0.000 2.722 211 I HA 0.407 4.579 4.170 0.003 0.000 0.295 211 I C -0.152 175.837 176.117 -0.214 0.000 1.161 211 I CA -0.917 60.326 61.300 -0.096 0.000 1.032 211 I CB 2.713 40.621 38.000 -0.153 0.000 1.244 211 I HN -0.233 nan 8.210 nan 0.000 0.421 212 G N 1.944 110.396 108.800 -0.580 0.000 2.524 212 G HA2 0.755 4.717 3.960 0.003 0.000 0.310 212 G HA3 0.755 4.717 3.960 0.003 0.000 0.310 212 G C -0.940 173.115 174.900 -1.408 0.000 1.279 212 G CA -0.494 44.017 45.100 -0.982 0.000 0.974 212 G HN 0.600 nan 8.290 nan 0.000 0.484 213 T N -2.054 112.099 114.554 -0.668 0.000 2.907 213 T HA 0.785 5.136 4.350 0.003 0.000 0.292 213 T C -1.050 173.646 174.700 -0.007 0.000 1.043 213 T CA -1.014 60.889 62.100 -0.329 0.000 1.003 213 T CB 1.987 70.725 68.868 -0.217 0.000 1.084 213 T HN 1.263 nan 8.240 nan 0.000 0.483 214 V N 0.443 120.361 119.914 0.007 0.000 3.147 214 V HA 0.830 4.951 4.120 0.003 0.000 0.306 214 V C -1.001 174.842 176.094 -0.418 0.000 1.209 214 V CA -0.441 61.829 62.300 -0.049 0.000 1.023 214 V CB 2.368 34.281 31.823 0.150 0.000 1.059 214 V HN 1.327 nan 8.190 nan 0.000 0.435 215 S N 3.640 119.064 115.700 -0.459 0.000 2.532 215 S HA 0.712 5.184 4.470 0.003 0.000 0.301 215 S C -0.633 173.582 174.600 -0.642 0.000 1.083 215 S CA -0.452 57.343 58.200 -0.674 0.000 1.025 215 S CB 1.305 64.061 63.200 -0.740 0.000 1.056 215 S HN 0.602 nan 8.310 nan 0.000 0.494 216 F N 2.655 122.540 119.950 -0.108 0.000 2.850 216 F HA 0.298 4.827 4.527 0.003 0.000 0.329 216 F C -0.088 175.720 175.800 0.012 0.000 1.182 216 F CA -0.886 57.111 58.000 -0.005 0.000 1.270 216 F CB 0.282 39.288 39.000 0.010 0.000 0.979 216 F HN 0.564 nan 8.300 nan 0.000 0.506 217 Y N 2.996 123.261 120.300 -0.059 0.000 2.379 217 Y HA 0.183 4.735 4.550 0.003 0.000 0.337 217 Y C -1.598 174.428 175.900 0.211 0.000 1.238 217 Y CA -2.324 55.813 58.100 0.061 0.000 1.405 217 Y CB 0.843 39.327 38.460 0.040 0.000 1.310 217 Y HN -0.094 nan 8.280 nan 0.000 0.569 218 P HA -0.285 nan 4.420 nan 0.000 0.217 218 P C 0.991 178.258 177.300 -0.056 0.000 1.148 218 P CA 2.846 65.816 63.100 -0.217 0.000 0.834 218 P CB -0.024 31.444 31.700 -0.385 0.000 0.783 219 A N -1.748 121.153 122.820 0.135 0.000 1.978 219 A HA -0.186 4.136 4.320 0.003 0.000 0.220 219 A C 1.004 178.495 177.584 -0.155 0.000 1.170 219 A CA 1.492 53.561 52.037 0.053 0.000 0.636 219 A CB -1.332 17.857 19.000 0.316 0.000 0.810 219 A HN 0.254 nan 8.150 nan 0.000 0.448 220 H N -2.527 116.577 119.070 0.056 0.000 2.490 220 H HA 0.366 4.924 4.556 0.003 0.000 0.354 220 H C 1.404 176.744 175.328 0.019 0.000 1.365 220 H CA -0.298 55.846 56.048 0.160 0.000 1.413 220 H CB 0.193 30.202 29.762 0.411 0.000 1.631 220 H HN 0.280 nan 8.280 nan 0.000 0.607 221 H N -0.268 118.966 119.070 0.273 0.000 2.357 221 H HA -0.105 4.453 4.556 0.003 0.000 0.296 221 H C 0.602 176.059 175.328 0.216 0.000 1.108 221 H CA 2.045 58.210 56.048 0.194 0.000 1.273 221 H CB 0.027 29.949 29.762 0.267 0.000 1.367 221 H HN 0.433 nan 8.280 nan 0.000 0.498 222 I N -2.779 118.045 120.570 0.423 0.000 2.969 222 I HA 0.512 4.684 4.170 0.003 0.000 0.307 222 I C -0.452 175.840 176.117 0.291 0.000 1.149 222 I CA -0.885 60.604 61.300 0.315 0.000 1.008 222 I CB 3.027 41.175 38.000 0.246 0.000 1.232 222 I HN -0.221 nan 8.210 nan 0.000 0.435 223 T N 2.991 117.633 114.554 0.146 0.000 2.901 223 T HA 0.639 4.991 4.350 0.003 0.000 0.293 223 T C -0.240 174.456 174.700 -0.007 0.000 1.084 223 T CA -0.645 61.522 62.100 0.112 0.000 1.008 223 T CB 1.944 70.839 68.868 0.045 0.000 1.170 223 T HN 0.811 nan 8.240 nan 0.000 0.509 224 M N 1.759 121.364 119.600 0.008 0.000 2.314 224 M HA 0.289 4.770 4.480 0.003 0.000 0.383 224 M C 1.350 177.635 176.300 -0.026 0.000 0.984 224 M CA 0.239 55.501 55.300 -0.064 0.000 0.982 224 M CB 0.973 33.517 32.600 -0.093 0.000 1.745 224 M HN 0.969 nan 8.290 nan 0.000 0.600 225 G N 1.385 110.172 108.800 -0.022 0.000 4.165 225 G HA2 -0.168 3.793 3.960 0.003 0.000 0.211 225 G HA3 -0.168 3.793 3.960 0.003 0.000 0.211 225 G C -0.024 174.874 174.900 -0.003 0.000 1.469 225 G CA -0.213 44.857 45.100 -0.051 0.000 0.964 225 G HN 0.396 nan 8.290 nan 0.000 0.613 226 E N 1.062 121.299 120.200 0.063 0.000 2.290 226 E HA 0.607 4.959 4.350 0.003 0.000 0.274 226 E C 0.044 176.711 176.600 0.111 0.000 0.889 226 E CA 0.300 56.778 56.400 0.130 0.000 0.760 226 E CB 1.472 31.240 29.700 0.113 0.000 1.206 226 E HN 1.663 nan 8.360 nan 0.000 0.419 227 G N 0.450 109.330 108.800 0.133 0.000 2.328 227 G HA2 0.542 4.504 3.960 0.003 0.000 0.299 227 G HA3 0.542 4.504 3.960 0.003 0.000 0.299 227 G C -0.898 174.044 174.900 0.069 0.000 1.435 227 G CA -0.037 45.158 45.100 0.159 0.000 0.865 227 G HN 0.677 nan 8.290 nan 0.000 0.601 228 G N -1.579 107.232 108.800 0.017 0.000 2.550 228 G HA2 1.013 4.975 3.960 0.003 0.000 0.293 228 G HA3 1.013 4.975 3.960 0.003 0.000 0.293 228 G C -1.057 173.792 174.900 -0.085 0.000 1.402 228 G CA 0.516 45.366 45.100 -0.416 0.000 0.784 228 G HN 2.211 nan 8.290 nan 0.000 0.482 229 A N -1.134 121.621 122.820 -0.108 0.000 2.572 229 A HA 0.828 5.150 4.320 0.003 0.000 0.295 229 A C -1.395 176.270 177.584 0.135 0.000 1.072 229 A CA -0.542 51.610 52.037 0.193 0.000 0.691 229 A CB 1.908 21.216 19.000 0.513 0.000 1.291 229 A HN 1.556 nan 8.150 nan 0.000 0.404 230 V N 1.675 121.670 119.914 0.136 0.000 2.495 230 V HA 0.764 4.886 4.120 0.003 0.000 0.298 230 V C -0.894 175.281 176.094 0.135 0.000 1.031 230 V CA -0.344 61.943 62.300 -0.021 0.000 0.871 230 V CB 0.905 32.694 31.823 -0.056 0.000 0.988 230 V HN 0.913 nan 8.190 nan 0.000 0.432 231 F N 1.467 121.464 119.950 0.078 0.000 2.599 231 F HA 0.943 5.472 4.527 0.003 0.000 0.311 231 F C -0.385 175.480 175.800 0.108 0.000 1.076 231 F CA -0.717 57.348 58.000 0.109 0.000 0.937 231 F CB 2.143 41.209 39.000 0.110 0.000 1.282 231 F HN 0.492 nan 8.300 nan 0.000 0.460 232 T N -0.244 114.522 114.554 0.354 0.000 2.718 232 T HA 0.295 4.647 4.350 0.003 0.000 0.306 232 T C -0.694 174.207 174.700 0.336 0.000 1.485 232 T CA -0.411 61.851 62.100 0.270 0.000 0.997 232 T CB 2.103 71.069 68.868 0.164 0.000 1.504 232 T HN 0.852 nan 8.240 nan 0.000 0.497 233 Q N 0.379 120.345 119.800 0.278 0.000 2.281 233 Q HA 0.284 4.626 4.340 0.003 0.000 0.215 233 Q C 0.217 176.433 176.000 0.360 0.000 0.867 233 Q CA -0.153 55.805 55.803 0.259 0.000 0.940 233 Q CB 0.995 29.818 28.738 0.141 0.000 1.111 233 Q HN 0.427 nan 8.270 nan 0.000 0.513 234 S N -0.117 115.768 115.700 0.307 0.000 2.438 234 S HA 0.475 4.947 4.470 0.003 0.000 0.293 234 S C 0.852 175.463 174.600 0.018 0.000 1.141 234 S CA -0.147 58.174 58.200 0.202 0.000 1.080 234 S CB 1.379 64.666 63.200 0.145 0.000 0.978 234 S HN 0.310 nan 8.310 nan 0.000 0.479 235 A N 4.187 126.993 122.820 -0.024 0.000 1.933 235 A HA -0.057 4.264 4.320 0.003 0.000 0.218 235 A C 1.975 179.352 177.584 -0.344 0.000 1.175 235 A CA 1.669 53.493 52.037 -0.354 0.000 0.628 235 A CB -0.820 18.183 19.000 0.006 0.000 0.814 235 A HN 0.970 nan 8.150 nan 0.000 0.444 236 E N 0.044 120.132 120.200 -0.187 0.000 2.058 236 E HA -0.188 4.164 4.350 0.003 0.000 0.194 236 E C 1.939 178.382 176.600 -0.262 0.000 0.997 236 E CA 1.320 57.547 56.400 -0.288 0.000 0.801 236 E CB -0.250 29.421 29.700 -0.048 0.000 0.746 236 E HN 0.617 nan 8.360 nan 0.000 0.450 237 L N 0.965 122.107 121.223 -0.135 0.000 2.083 237 L HA -0.182 4.160 4.340 0.003 0.000 0.209 237 L C 2.921 179.696 176.870 -0.157 0.000 1.083 237 L CA 1.153 55.922 54.840 -0.120 0.000 0.752 237 L CB -0.645 41.380 42.059 -0.057 0.000 0.899 237 L HN 0.156 nan 8.230 nan 0.000 0.433 238 K N 0.388 120.657 120.400 -0.220 0.000 2.063 238 K HA -0.167 4.155 4.320 0.003 0.000 0.208 238 K C 2.052 178.532 176.600 -0.201 0.000 1.048 238 K CA 1.935 58.085 56.287 -0.229 0.000 0.928 238 K CB -0.086 32.109 32.500 -0.508 0.000 0.713 238 K HN 0.188 nan 8.250 nan 0.000 0.442 239 S N 0.925 116.443 115.700 -0.303 0.000 2.406 239 S HA 0.006 4.478 4.470 0.003 0.000 0.228 239 S C 2.017 176.532 174.600 -0.141 0.000 1.020 239 S CA 0.838 58.887 58.200 -0.252 0.000 0.965 239 S CB -0.084 62.786 63.200 -0.551 0.000 0.798 239 S HN 0.277 nan 8.310 nan 0.000 0.488 240 I N 1.169 121.649 120.570 -0.149 0.000 2.233 240 I HA -0.146 4.026 4.170 0.003 0.000 0.243 240 I C 1.989 178.100 176.117 -0.009 0.000 1.093 240 I CA 1.101 62.342 61.300 -0.098 0.000 1.380 240 I CB -0.369 37.575 38.000 -0.092 0.000 1.067 240 I HN 0.233 nan 8.210 nan 0.000 0.413 241 I N 0.741 121.308 120.570 -0.006 0.000 2.118 241 I HA -0.352 3.820 4.170 0.003 0.000 0.241 241 I C 2.636 178.793 176.117 0.067 0.000 1.070 241 I CA 1.732 63.053 61.300 0.036 0.000 1.327 241 I CB -0.463 37.522 38.000 -0.025 0.000 1.034 241 I HN 0.300 nan 8.210 nan 0.000 0.405 242 E N 0.438 120.654 120.200 0.028 0.000 2.085 242 E HA -0.282 4.069 4.350 0.003 0.000 0.194 242 E C 2.280 178.915 176.600 0.057 0.000 0.994 242 E CA 1.719 58.144 56.400 0.041 0.000 0.801 242 E CB -0.030 29.690 29.700 0.033 0.000 0.743 242 E HN 0.367 nan 8.360 nan 0.000 0.453 243 S N -0.772 114.956 115.700 0.047 0.000 2.356 243 S HA -0.147 4.325 4.470 0.003 0.000 0.223 243 S C 1.684 176.311 174.600 0.045 0.000 1.032 243 S CA 1.121 59.353 58.200 0.053 0.000 1.005 243 S CB -0.422 62.834 63.200 0.092 0.000 0.867 243 S HN 0.356 nan 8.310 nan 0.000 0.449 244 F N 1.842 121.803 119.950 0.017 0.000 2.216 244 F HA 0.108 4.636 4.527 0.003 0.000 0.300 244 F C 2.624 178.470 175.800 0.076 0.000 1.085 244 F CA 1.301 59.328 58.000 0.045 0.000 1.326 244 F CB -0.318 38.671 39.000 -0.017 0.000 1.027 244 F HN 0.194 nan 8.300 nan 0.000 0.497 245 R N 0.179 120.788 120.500 0.182 0.000 2.119 245 R HA -0.068 4.273 4.340 0.003 0.000 0.222 245 R C -0.193 176.040 176.300 -0.111 0.000 1.088 245 R CA 1.131 57.257 56.100 0.043 0.000 0.984 245 R CB -0.126 30.175 30.300 0.001 0.000 0.884 245 R HN 0.068 nan 8.270 nan 0.000 0.447 246 D N 0.062 120.414 120.400 -0.080 0.000 2.781 246 D HA 0.042 4.684 4.640 0.003 0.000 0.254 246 D C -0.089 176.275 176.300 0.107 0.000 1.213 246 D CA -0.155 53.711 54.000 -0.224 0.000 0.994 246 D CB -0.203 40.599 40.800 0.004 0.000 1.019 246 D HN 0.226 nan 8.370 nan 0.000 0.514 247 W N 0.793 122.184 121.300 0.151 0.000 2.612 247 W HA -0.296 4.366 4.660 0.003 0.000 0.266 247 W C 1.323 177.934 176.519 0.154 0.000 1.034 247 W CA 0.775 58.198 57.345 0.130 0.000 0.531 247 W CB -2.039 27.539 29.460 0.198 0.000 2.052 247 W HN 0.583 nan 8.180 nan 0.000 1.427 248 G N 0.675 109.653 108.800 0.297 0.000 2.143 248 G HA2 -0.345 3.617 3.960 0.003 0.000 0.248 248 G HA3 -0.345 3.617 3.960 0.003 0.000 0.248 248 G C 0.480 175.554 174.900 0.289 0.000 0.991 248 G CA 0.566 45.782 45.100 0.192 0.000 0.689 248 G HN 0.584 nan 8.290 nan 0.000 0.522 249 R N 0.035 120.742 120.500 0.346 0.000 2.615 249 R HA 0.528 4.870 4.340 0.003 0.000 0.270 249 R C -0.112 176.144 176.300 -0.072 0.000 1.081 249 R CA -0.039 56.091 56.100 0.049 0.000 1.154 249 R CB 0.684 30.988 30.300 0.008 0.000 1.063 249 R HN 0.196 nan 8.270 nan 0.000 0.519 250 D N 0.147 120.395 120.400 -0.253 0.000 2.345 250 D HA 0.252 4.894 4.640 0.003 0.000 0.247 250 D C -0.816 175.389 176.300 -0.159 0.000 1.108 250 D CA 0.017 53.900 54.000 -0.196 0.000 0.894 250 D CB 0.988 41.672 40.800 -0.193 0.000 1.203 250 D HN 0.561 nan 8.370 nan 0.000 0.430 251 C N 1.767 121.088 119.300 0.036 0.000 3.188 251 C HA 0.419 4.881 4.460 0.003 0.000 0.375 251 C C -1.155 173.991 174.990 0.260 0.000 2.362 251 C CA -0.414 58.691 59.018 0.145 0.000 1.150 251 C CB -0.429 27.376 27.740 0.108 0.000 2.728 251 C HN 0.826 nan 8.230 nan 0.000 0.419 252 Y N -0.071 120.269 120.300 0.066 0.000 2.921 252 Y HA -0.116 4.436 4.550 0.003 0.000 0.465 252 Y C 0.297 176.235 175.900 0.063 0.000 1.213 252 Y CA 1.306 59.438 58.100 0.054 0.000 2.445 252 Y CB -1.499 36.989 38.460 0.047 0.000 1.250 252 Y HN 1.796 nan 8.280 nan 0.000 0.635 270 G N 1.023 109.815 108.800 -0.013 0.000 2.806 270 G HA2 -0.145 3.817 3.960 0.003 0.000 0.236 270 G HA3 -0.145 3.817 3.960 0.003 0.000 0.236 270 G C -0.075 174.812 174.900 -0.021 0.000 1.387 270 G CA 0.129 45.216 45.100 -0.022 0.000 0.884 270 G HN 1.430 nan 8.290 nan 0.000 0.560 271 S N -0.951 114.728 115.700 -0.036 0.000 2.617 271 S HA 0.582 5.054 4.470 0.003 0.000 0.237 271 S C 0.316 174.884 174.600 -0.054 0.000 1.142 271 S CA -0.376 57.806 58.200 -0.029 0.000 1.167 271 S CB -0.003 63.183 63.200 -0.022 0.000 1.068 271 S HN 0.771 nan 8.310 nan 0.000 0.470 272 L N 2.667 123.840 121.223 -0.083 0.000 2.436 272 L HA 0.458 4.799 4.340 0.003 0.000 0.265 272 L C -1.604 175.245 176.870 -0.034 0.000 1.168 272 L CA -1.771 52.974 54.840 -0.160 0.000 0.815 272 L CB 0.065 41.967 42.059 -0.262 0.000 1.109 272 L HN 0.257 nan 8.230 nan 0.000 0.462 273 P HA 0.012 nan 4.420 nan 0.000 0.271 273 P C -0.540 176.880 177.300 0.199 0.000 1.218 273 P CA -0.414 62.764 63.100 0.130 0.000 0.780 273 P CB 0.550 32.345 31.700 0.159 0.000 0.901 274 F N 2.020 122.010 119.950 0.066 0.000 2.629 274 F HA 0.273 4.802 4.527 0.003 0.000 0.369 274 F C 1.432 177.279 175.800 0.078 0.000 1.125 274 F CA 1.640 59.675 58.000 0.059 0.000 1.330 274 F CB -0.154 38.865 39.000 0.032 0.000 1.071 274 F HN 0.755 nan 8.300 nan 0.000 0.595 275 G N 3.688 112.000 108.800 -0.814 0.000 2.147 275 G HA2 -0.356 3.606 3.960 0.003 0.000 0.244 275 G HA3 -0.356 3.606 3.960 0.003 0.000 0.244 275 G C -0.336 174.463 174.900 -0.168 0.000 1.005 275 G CA 0.068 44.836 45.100 -0.554 0.000 0.713 275 G HN 0.972 nan 8.290 nan 0.000 0.515 276 Y N 1.740 121.941 120.300 -0.165 0.000 2.377 276 Y HA 0.407 4.958 4.550 0.003 0.000 0.330 276 Y C 0.858 176.712 175.900 -0.076 0.000 1.108 276 Y CA -0.600 57.460 58.100 -0.067 0.000 1.308 276 Y CB 0.717 39.167 38.460 -0.016 0.000 1.216 276 Y HN 0.237 nan 8.280 nan 0.000 0.518 277 D N 4.858 124.997 120.400 -0.434 0.000 2.662 277 D HA -0.190 4.452 4.640 0.003 0.000 0.233 277 D C 1.259 177.505 176.300 -0.091 0.000 1.129 277 D CA 0.942 54.762 54.000 -0.300 0.000 0.851 277 D CB 0.327 40.838 40.800 -0.482 0.000 1.152 277 D HN 0.887 nan 8.370 nan 0.000 0.507 278 H N 4.056 123.027 119.070 -0.165 0.000 2.387 278 H HA -0.099 4.459 4.556 0.003 0.000 0.299 278 H C 1.530 176.770 175.328 -0.147 0.000 1.090 278 H CA 0.738 56.715 56.048 -0.118 0.000 1.332 278 H CB 0.595 30.294 29.762 -0.104 0.000 1.386 278 H HN 0.311 nan 8.280 nan 0.000 0.516 279 K N 0.435 120.727 120.400 -0.180 0.000 2.218 279 K HA -0.175 4.147 4.320 0.003 0.000 0.205 279 K C 0.568 177.083 176.600 -0.142 0.000 1.046 279 K CA 1.152 57.292 56.287 -0.246 0.000 0.933 279 K CB -0.133 32.142 32.500 -0.376 0.000 0.728 279 K HN 0.590 nan 8.250 nan 0.000 0.454 280 Y N 0.557 120.694 120.300 -0.272 0.000 2.751 280 Y HA 0.119 4.671 4.550 0.003 0.000 0.289 280 Y C 0.010 175.723 175.900 -0.311 0.000 1.110 280 Y CA -0.736 57.212 58.100 -0.253 0.000 1.251 280 Y CB 0.894 39.373 38.460 0.032 0.000 1.178 280 Y HN -0.224 nan 8.280 nan 0.000 0.540 281 T N 0.440 114.740 114.554 -0.423 0.000 2.770 281 T HA 0.338 4.690 4.350 0.003 0.000 0.283 281 T C -1.057 173.277 174.700 -0.610 0.000 0.988 281 T CA -0.326 61.603 62.100 -0.286 0.000 0.957 281 T CB 0.440 69.273 68.868 -0.058 0.000 0.930 281 T HN 0.028 nan 8.240 nan 0.000 0.443 282 Y N 1.477 121.773 120.300 -0.006 0.000 2.328 282 Y HA 0.356 4.908 4.550 0.003 0.000 0.337 282 Y C 1.405 177.237 175.900 -0.114 0.000 0.966 282 Y CA -1.037 57.035 58.100 -0.046 0.000 1.136 282 Y CB 1.526 39.972 38.460 -0.024 0.000 1.170 282 Y HN 0.715 nan 8.280 nan 0.000 0.470 283 S N 0.653 116.291 115.700 -0.105 0.000 2.524 283 S HA 0.245 4.717 4.470 0.003 0.000 0.215 283 S C 0.074 174.304 174.600 -0.616 0.000 0.986 283 S CA 0.080 58.080 58.200 -0.335 0.000 0.911 283 S CB -0.060 62.882 63.200 -0.430 0.000 0.805 283 S HN 0.621 nan 8.310 nan 0.000 0.501 284 H N -0.140 118.829 119.070 -0.169 0.000 2.985 284 H HA 0.422 4.980 4.556 0.003 0.000 0.360 284 H C -1.420 173.788 175.328 -0.201 0.000 1.221 284 H CA -1.051 54.781 56.048 -0.361 0.000 1.121 284 H CB 1.547 30.660 29.762 -1.082 0.000 1.854 284 H HN 0.148 nan 8.280 nan 0.000 0.551 285 L N 1.975 123.236 121.223 0.063 0.000 2.334 285 L HA 0.424 4.766 4.340 0.003 0.000 0.286 285 L C 0.406 177.312 176.870 0.061 0.000 1.108 285 L CA 0.167 55.046 54.840 0.064 0.000 0.875 285 L CB -0.334 41.776 42.059 0.086 0.000 1.246 285 L HN 0.694 nan 8.230 nan 0.000 0.439 286 G N 2.645 111.415 108.800 -0.050 0.000 2.509 286 G HA2 0.487 4.449 3.960 0.003 0.000 0.328 286 G HA3 0.487 4.449 3.960 0.003 0.000 0.328 286 G C -1.285 173.465 174.900 -0.249 0.000 1.194 286 G CA -0.426 44.688 45.100 0.024 0.000 0.967 286 G HN 0.442 nan 8.290 nan 0.000 0.488 287 Y N -1.138 119.216 120.300 0.090 0.000 2.853 287 Y HA 0.507 5.059 4.550 0.003 0.000 0.332 287 Y C 0.507 176.318 175.900 -0.149 0.000 1.229 287 Y CA -1.260 56.837 58.100 -0.005 0.000 1.177 287 Y CB 1.343 39.791 38.460 -0.021 0.000 1.435 287 Y HN 0.501 nan 8.280 nan 0.000 0.659 288 N N 0.393 119.086 118.700 -0.010 0.000 2.609 288 N HA 0.371 5.113 4.740 0.003 0.000 0.268 288 N C -1.925 173.495 175.510 -0.151 0.000 1.106 288 N CA -0.070 52.786 53.050 -0.324 0.000 0.823 288 N CB 0.272 38.518 38.487 -0.401 0.000 1.263 288 N HN 0.571 nan 8.380 nan 0.000 0.533 289 L N 3.063 124.198 121.223 -0.146 0.000 2.999 289 L HA 0.382 4.724 4.340 0.003 0.000 0.263 289 L C 0.015 176.831 176.870 -0.090 0.000 1.320 289 L CA -0.311 54.468 54.840 -0.101 0.000 0.913 289 L CB 0.246 42.238 42.059 -0.111 0.000 1.296 289 L HN 0.300 nan 8.230 nan 0.000 0.546 290 K N 1.250 121.587 120.400 -0.106 0.000 2.132 290 K HA 0.680 5.001 4.320 0.003 0.000 0.241 290 K C -0.195 176.397 176.600 -0.014 0.000 1.000 290 K CA -0.671 55.581 56.287 -0.058 0.000 0.911 290 K CB 2.382 34.832 32.500 -0.085 0.000 1.093 290 K HN 0.186 nan 8.250 nan 0.000 0.460 291 I N -2.827 117.754 120.570 0.019 0.000 3.264 291 I HA 0.492 4.664 4.170 0.003 0.000 0.309 291 I C 0.082 176.228 176.117 0.048 0.000 1.099 291 I CA -0.907 60.410 61.300 0.028 0.000 0.989 291 I CB 1.852 39.867 38.000 0.025 0.000 1.250 291 I HN 0.586 nan 8.210 nan 0.000 0.478 292 T N -2.451 112.129 114.554 0.044 0.000 2.927 292 T HA 0.282 4.634 4.350 0.003 0.000 0.281 292 T C 0.287 175.041 174.700 0.089 0.000 0.998 292 T CA -0.287 61.855 62.100 0.069 0.000 1.019 292 T CB 1.566 70.463 68.868 0.048 0.000 1.061 292 T HN 0.693 nan 8.240 nan 0.000 0.518 293 D N -0.131 120.364 120.400 0.157 0.000 2.317 293 D HA 0.055 4.697 4.640 0.003 0.000 0.211 293 D C 1.742 178.093 176.300 0.086 0.000 0.966 293 D CA 0.654 54.775 54.000 0.200 0.000 0.876 293 D CB -0.261 40.753 40.800 0.357 0.000 0.927 293 D HN 0.453 nan 8.370 nan 0.000 0.519 294 M N -0.258 119.364 119.600 0.036 0.000 2.132 294 M HA -0.084 4.398 4.480 0.003 0.000 0.263 294 M C 2.082 178.325 176.300 -0.095 0.000 1.065 294 M CA 1.358 56.628 55.300 -0.050 0.000 1.122 294 M CB -0.229 32.356 32.600 -0.024 0.000 1.365 294 M HN -0.046 nan 8.290 nan 0.000 0.411 295 Q N -0.509 119.253 119.800 -0.064 0.000 2.079 295 Q HA -0.056 4.286 4.340 0.003 0.000 0.200 295 Q C 2.258 178.148 176.000 -0.184 0.000 0.974 295 Q CA 1.555 57.298 55.803 -0.099 0.000 0.840 295 Q CB -0.344 28.359 28.738 -0.059 0.000 0.898 295 Q HN 0.608 nan 8.270 nan 0.000 0.430 296 A N 0.954 123.683 122.820 -0.152 0.000 1.933 296 A HA -0.121 4.201 4.320 0.003 0.000 0.218 296 A C 2.259 179.745 177.584 -0.163 0.000 1.175 296 A CA 1.520 53.427 52.037 -0.216 0.000 0.628 296 A CB -0.755 18.242 19.000 -0.005 0.000 0.814 296 A HN 0.399 nan 8.150 nan 0.000 0.444 297 A N -0.991 121.718 122.820 -0.186 0.000 1.877 297 A HA -0.220 4.101 4.320 0.003 0.000 0.216 297 A C 2.412 179.851 177.584 -0.242 0.000 1.186 297 A CA 1.680 53.484 52.037 -0.388 0.000 0.620 297 A CB -1.478 16.971 19.000 -0.920 0.000 0.822 297 A HN 0.791 nan 8.150 nan 0.000 0.443 298 C N -0.479 118.690 119.300 -0.218 0.000 2.413 298 C HA -0.047 4.415 4.460 0.003 0.000 0.276 298 C C 2.954 177.867 174.990 -0.127 0.000 1.236 298 C CA 1.417 60.345 59.018 -0.149 0.000 1.735 298 C CB -1.607 26.055 27.740 -0.130 0.000 2.031 298 C HN 0.620 nan 8.230 nan 0.000 0.474 299 G N 0.010 108.670 108.800 -0.233 0.000 2.432 299 G HA2 -0.179 3.783 3.960 0.003 0.000 0.219 299 G HA3 -0.179 3.783 3.960 0.003 0.000 0.219 299 G C 1.487 176.454 174.900 0.112 0.000 1.135 299 G CA 1.033 45.978 45.100 -0.257 0.000 0.767 299 G HN 0.553 nan 8.290 nan 0.000 0.550 300 L N 1.308 122.633 121.223 0.170 0.000 2.046 300 L HA 0.171 4.513 4.340 0.003 0.000 0.208 300 L C 3.045 179.976 176.870 0.102 0.000 1.077 300 L CA 2.053 57.049 54.840 0.261 0.000 0.747 300 L CB -0.754 41.463 42.059 0.263 0.000 0.896 300 L HN 0.226 nan 8.230 nan 0.000 0.432 301 A N -1.190 121.655 122.820 0.041 0.000 1.858 301 A HA -0.237 4.085 4.320 0.003 0.000 0.216 301 A C 2.148 179.734 177.584 0.004 0.000 1.190 301 A CA 1.659 53.704 52.037 0.012 0.000 0.617 301 A CB -0.669 18.326 19.000 -0.009 0.000 0.827 301 A HN 0.586 nan 8.150 nan 0.000 0.443 302 Q N -0.371 119.444 119.800 0.024 0.000 2.152 302 Q HA -0.181 4.161 4.340 0.003 0.000 0.206 302 Q C 2.119 178.110 176.000 -0.016 0.000 0.985 302 Q CA 1.354 57.189 55.803 0.053 0.000 0.863 302 Q CB -0.519 28.274 28.738 0.093 0.000 0.904 302 Q HN 0.724 nan 8.270 nan 0.000 0.422 303 L N 0.692 121.901 121.223 -0.024 0.000 2.261 303 L HA -0.200 4.142 4.340 0.003 0.000 0.216 303 L C 2.103 178.880 176.870 -0.155 0.000 1.114 303 L CA 0.999 55.765 54.840 -0.124 0.000 0.777 303 L CB -0.254 41.719 42.059 -0.143 0.000 0.910 303 L HN 0.287 nan 8.230 nan 0.000 0.440 304 E N -0.215 119.916 120.200 -0.115 0.000 2.204 304 E HA -0.160 4.192 4.350 0.003 0.000 0.194 304 E C 1.832 178.312 176.600 -0.199 0.000 0.989 304 E CA 0.670 56.997 56.400 -0.121 0.000 0.824 304 E CB 0.113 29.765 29.700 -0.079 0.000 0.756 304 E HN 0.520 nan 8.360 nan 0.000 0.477 305 R N 0.019 120.328 120.500 -0.319 0.000 2.334 305 R HA 0.095 4.437 4.340 0.003 0.000 0.216 305 R C 2.006 177.870 176.300 -0.725 0.000 0.905 305 R CA -0.126 55.602 56.100 -0.620 0.000 1.064 305 R CB -0.002 29.691 30.300 -1.013 0.000 1.046 305 R HN 0.078 nan 8.270 nan 0.000 0.508 306 I N 2.547 122.886 120.570 -0.385 0.000 2.118 306 I HA -0.307 3.865 4.170 0.003 0.000 0.241 306 I C 1.784 177.861 176.117 -0.068 0.000 1.070 306 I CA 1.831 63.012 61.300 -0.198 0.000 1.327 306 I CB -0.065 37.697 38.000 -0.396 0.000 1.034 306 I HN 0.128 nan 8.210 nan 0.000 0.405 307 E N -0.161 120.010 120.200 -0.048 0.000 2.118 307 E HA -0.294 4.057 4.350 0.003 0.000 0.195 307 E C 2.150 178.775 176.600 0.042 0.000 0.992 307 E CA 1.443 57.884 56.400 0.069 0.000 0.804 307 E CB -0.310 29.432 29.700 0.070 0.000 0.741 307 E HN 0.647 nan 8.360 nan 0.000 0.458 308 E N 0.200 120.361 120.200 -0.065 0.000 2.072 308 E HA -0.184 4.168 4.350 0.003 0.000 0.191 308 E C 1.778 178.454 176.600 0.128 0.000 0.985 308 E CA 0.903 57.279 56.400 -0.040 0.000 0.801 308 E CB -0.001 29.589 29.700 -0.185 0.000 0.750 308 E HN 0.156 nan 8.360 nan 0.000 0.452 309 F N 0.681 120.678 119.950 0.077 0.000 2.146 309 F HA -0.133 4.396 4.527 0.002 0.000 0.298 309 F C 2.469 178.359 175.800 0.150 0.000 1.096 309 F CA 0.548 58.610 58.000 0.105 0.000 1.275 309 F CB -1.055 38.016 39.000 0.118 0.000 1.008 309 F HN -0.064 nan 8.300 nan 0.000 0.480 310 V N -0.047 120.082 119.914 0.359 0.000 2.407 310 V HA -0.269 3.853 4.120 0.003 0.000 0.248 310 V C 2.359 178.592 176.094 0.233 0.000 1.055 310 V CA 2.039 64.517 62.300 0.296 0.000 1.049 310 V CB -0.651 31.319 31.823 0.244 0.000 0.662 310 V HN 0.338 nan 8.190 nan 0.000 0.455 311 E N 0.441 120.757 120.200 0.193 0.000 2.047 311 E HA -0.238 4.113 4.350 0.003 0.000 0.191 311 E C 2.247 178.950 176.600 0.172 0.000 0.987 311 E CA 1.307 57.801 56.400 0.157 0.000 0.799 311 E CB -0.025 29.744 29.700 0.115 0.000 0.752 311 E HN 0.592 nan 8.360 nan 0.000 0.449 312 K N 0.116 120.626 120.400 0.184 0.000 2.057 312 K HA -0.106 4.216 4.320 0.003 0.000 0.206 312 K C 2.364 179.072 176.600 0.180 0.000 1.050 312 K CA 1.231 57.616 56.287 0.164 0.000 0.935 312 K CB -0.083 32.513 32.500 0.160 0.000 0.715 312 K HN 0.036 nan 8.250 nan 0.000 0.439 313 R N 1.179 121.810 120.500 0.218 0.000 2.081 313 R HA -0.101 4.241 4.340 0.003 0.000 0.235 313 R C 2.115 178.619 176.300 0.340 0.000 1.131 313 R CA 1.467 57.721 56.100 0.256 0.000 0.960 313 R CB -0.088 30.381 30.300 0.282 0.000 0.856 313 R HN 0.125 nan 8.270 nan 0.000 0.436 314 K N 0.035 120.629 120.400 0.324 0.000 2.148 314 K HA -0.047 4.275 4.320 0.003 0.000 0.204 314 K C 2.084 178.886 176.600 0.337 0.000 1.050 314 K CA 1.189 57.694 56.287 0.364 0.000 0.942 314 K CB -0.028 32.630 32.500 0.262 0.000 0.724 314 K HN 0.153 nan 8.250 nan 0.000 0.446 315 A N 1.923 124.894 122.820 0.251 0.000 1.854 315 A HA -0.161 4.161 4.320 0.003 0.000 0.214 315 A C 1.769 179.471 177.584 0.196 0.000 1.192 315 A CA 1.511 53.676 52.037 0.213 0.000 0.611 315 A CB -0.706 18.397 19.000 0.172 0.000 0.832 315 A HN 0.311 nan 8.150 nan 0.000 0.442 316 N N -1.327 117.469 118.700 0.160 0.000 2.104 316 N HA -0.198 4.544 4.740 0.003 0.000 0.190 316 N C 1.616 177.166 175.510 0.067 0.000 1.024 316 N CA 1.549 54.640 53.050 0.068 0.000 0.853 316 N CB -0.304 38.206 38.487 0.037 0.000 1.008 316 N HN 0.527 nan 8.380 nan 0.000 0.424 317 F N 2.458 122.429 119.950 0.034 0.000 2.069 317 F HA -0.226 4.303 4.527 0.003 0.000 0.298 317 F C 2.453 178.260 175.800 0.012 0.000 1.113 317 F CA 1.577 59.578 58.000 0.002 0.000 1.214 317 F CB -0.206 38.750 39.000 -0.073 0.000 0.978 317 F HN -0.157 nan 8.300 nan 0.000 0.474 318 K N -1.008 119.499 120.400 0.178 0.000 2.026 318 K HA -0.289 4.033 4.320 0.003 0.000 0.208 318 K C 2.283 178.839 176.600 -0.072 0.000 1.048 318 K CA 1.843 58.168 56.287 0.063 0.000 0.929 318 K CB -0.856 31.768 32.500 0.207 0.000 0.713 318 K HN 0.437 nan 8.250 nan 0.000 0.439 319 Y N 1.189 121.388 120.300 -0.168 0.000 2.128 319 Y HA -0.270 4.281 4.550 0.001 0.000 0.284 319 Y C 1.997 177.688 175.900 -0.347 0.000 1.154 319 Y CA 1.770 59.714 58.100 -0.259 0.000 1.149 319 Y CB -0.357 37.861 38.460 -0.402 0.000 0.976 319 Y HN 0.155 nan 8.280 nan 0.000 0.505 320 L N 0.952 121.968 121.223 -0.346 0.000 2.056 320 L HA -0.151 4.190 4.340 0.003 0.000 0.207 320 L C 2.440 178.918 176.870 -0.653 0.000 1.078 320 L CA 2.107 56.583 54.840 -0.607 0.000 0.749 320 L CB -0.916 40.607 42.059 -0.892 0.000 0.901 320 L HN 0.238 nan 8.230 nan 0.000 0.433 321 K N -0.884 119.177 120.400 -0.564 0.000 2.097 321 K HA -0.178 4.143 4.320 0.003 0.000 0.205 321 K C 1.669 178.113 176.600 -0.261 0.000 1.050 321 K CA 1.652 57.759 56.287 -0.301 0.000 0.938 321 K CB -0.103 32.178 32.500 -0.364 0.000 0.718 321 K HN 0.359 nan 8.250 nan 0.000 0.442 322 D N 0.487 120.720 120.400 -0.277 0.000 2.097 322 D HA -0.131 4.511 4.640 0.003 0.000 0.197 322 D C 1.799 177.938 176.300 -0.268 0.000 0.984 322 D CA 1.470 55.332 54.000 -0.229 0.000 0.826 322 D CB -0.267 40.408 40.800 -0.209 0.000 0.973 322 D HN 0.347 nan 8.370 nan 0.000 0.460 323 A N 0.360 122.948 122.820 -0.388 0.000 1.969 323 A HA -0.101 4.221 4.320 0.003 0.000 0.218 323 A C 1.955 179.374 177.584 -0.274 0.000 1.169 323 A CA 0.773 52.590 52.037 -0.367 0.000 0.635 323 A CB -0.421 18.269 19.000 -0.517 0.000 0.810 323 A HN 0.158 nan 8.150 nan 0.000 0.445 324 L N -0.619 120.424 121.223 -0.301 0.000 2.599 324 L HA 0.076 4.417 4.340 0.003 0.000 0.230 324 L C 2.066 178.832 176.870 -0.174 0.000 1.141 324 L CA 1.114 55.797 54.840 -0.261 0.000 0.877 324 L CB -0.614 41.232 42.059 -0.356 0.000 1.009 324 L HN 0.448 nan 8.230 nan 0.000 0.447 325 Q N -0.565 119.139 119.800 -0.161 0.000 2.291 325 Q HA -0.167 4.175 4.340 0.003 0.000 0.206 325 Q C 2.285 178.217 176.000 -0.113 0.000 0.976 325 Q CA 1.467 57.195 55.803 -0.126 0.000 0.875 325 Q CB -0.050 28.618 28.738 -0.116 0.000 0.927 325 Q HN 0.625 nan 8.270 nan 0.000 0.450 326 S N -2.195 113.445 115.700 -0.100 0.000 2.507 326 S HA -0.097 4.375 4.470 0.003 0.000 0.235 326 S C 1.512 176.070 174.600 -0.071 0.000 0.988 326 S CA 0.867 59.025 58.200 -0.069 0.000 0.944 326 S CB -0.333 62.846 63.200 -0.034 0.000 0.762 326 S HN 0.459 nan 8.310 nan 0.000 0.526 327 C N 1.534 120.773 119.300 -0.102 0.000 2.974 327 C HA 0.673 5.135 4.460 0.003 0.000 0.282 327 C C 2.593 177.433 174.990 -0.250 0.000 1.292 327 C CA -0.583 58.336 59.018 -0.164 0.000 1.710 327 C CB -1.433 26.192 27.740 -0.191 0.000 2.036 327 C HN 0.707 nan 8.230 nan 0.000 0.629 328 A N 1.121 123.817 122.820 -0.207 0.000 2.148 328 A HA -0.228 4.094 4.320 0.003 0.000 0.222 328 A C 1.614 179.031 177.584 -0.278 0.000 1.161 328 A CA 1.904 53.825 52.037 -0.193 0.000 0.662 328 A CB -0.343 18.569 19.000 -0.147 0.000 0.799 328 A HN 0.571 nan 8.150 nan 0.000 0.466 329 D N -1.865 118.222 120.400 -0.522 0.000 2.347 329 D HA 0.072 4.714 4.640 0.003 0.000 0.213 329 D C 0.556 176.394 176.300 -0.769 0.000 0.985 329 D CA 0.744 54.313 54.000 -0.717 0.000 0.879 329 D CB 0.002 40.179 40.800 -1.038 0.000 0.919 329 D HN 0.567 nan 8.370 nan 0.000 0.526 330 F N 0.052 119.942 119.950 -0.100 0.000 2.789 330 F HA 0.295 4.823 4.527 0.002 0.000 0.320 330 F C 0.902 176.724 175.800 0.038 0.000 1.079 330 F CA -0.493 57.490 58.000 -0.027 0.000 1.205 330 F CB 0.499 39.434 39.000 -0.109 0.000 1.046 330 F HN -0.199 nan 8.300 nan 0.000 0.586 331 I N -2.098 118.526 120.570 0.089 0.000 2.802 331 I HA 0.575 4.746 4.170 0.003 0.000 0.298 331 I C -1.054 175.093 176.117 0.050 0.000 1.176 331 I CA -0.943 60.441 61.300 0.139 0.000 1.025 331 I CB 2.551 40.685 38.000 0.224 0.000 1.243 331 I HN -0.181 nan 8.210 nan 0.000 0.424 332 E N 5.293 125.532 120.200 0.065 0.000 2.146 332 E HA 0.508 4.859 4.350 0.003 0.000 0.282 332 E C -1.001 175.601 176.600 0.003 0.000 0.989 332 E CA -0.670 55.744 56.400 0.024 0.000 0.799 332 E CB 2.021 31.744 29.700 0.039 0.000 1.088 332 E HN 0.455 nan 8.360 nan 0.000 0.397 333 L N 5.181 126.380 121.223 -0.040 0.000 2.418 333 L HA 0.346 4.688 4.340 0.003 0.000 0.265 333 L C -1.819 174.977 176.870 -0.123 0.000 1.143 333 L CA -2.091 52.684 54.840 -0.108 0.000 0.809 333 L CB 0.277 42.278 42.059 -0.096 0.000 1.124 333 L HN 0.342 nan 8.230 nan 0.000 0.456 334 P HA 0.102 nan 4.420 nan 0.000 0.271 334 P C -1.175 176.153 177.300 0.046 0.000 1.218 334 P CA -0.159 62.864 63.100 -0.129 0.000 0.780 334 P CB 0.895 32.308 31.700 -0.477 0.000 0.901 335 E N 0.612 120.925 120.200 0.188 0.000 2.246 335 E HA 0.510 4.862 4.350 0.003 0.000 0.266 335 E C -0.502 176.310 176.600 0.354 0.000 0.880 335 E CA -0.977 55.567 56.400 0.240 0.000 0.762 335 E CB 1.955 31.724 29.700 0.115 0.000 1.180 335 E HN 0.491 nan 8.360 nan 0.000 0.416 336 A N 2.588 125.656 122.820 0.413 0.000 2.483 336 A HA 0.192 4.514 4.320 0.003 0.000 0.238 336 A C 0.305 177.959 177.584 0.117 0.000 1.070 336 A CA 0.017 52.220 52.037 0.278 0.000 0.770 336 A CB 0.245 19.368 19.000 0.205 0.000 1.008 336 A HN 0.558 nan 8.150 nan 0.000 0.497 337 T N 1.982 116.559 114.554 0.037 0.000 2.916 337 T HA 0.139 4.491 4.350 0.003 0.000 0.303 337 T C 0.526 175.233 174.700 0.012 0.000 1.025 337 T CA 0.042 62.169 62.100 0.045 0.000 1.142 337 T CB 0.281 69.189 68.868 0.067 0.000 0.947 337 T HN 0.721 nan 8.240 nan 0.000 0.544 338 E N 2.679 122.890 120.200 0.019 0.000 2.608 338 E HA -0.141 4.211 4.350 0.003 0.000 0.259 338 E C 0.585 177.106 176.600 -0.132 0.000 0.951 338 E CA 0.141 56.525 56.400 -0.026 0.000 0.945 338 E CB 0.070 29.768 29.700 -0.002 0.000 0.916 338 E HN 0.693 nan 8.360 nan 0.000 0.477 339 N N 1.987 120.581 118.700 -0.177 0.000 2.776 339 N HA -0.208 4.534 4.740 0.003 0.000 0.249 339 N C -1.749 173.466 175.510 -0.490 0.000 1.111 339 N CA 1.212 54.072 53.050 -0.316 0.000 0.711 339 N CB -1.139 37.120 38.487 -0.381 0.000 1.065 339 N HN 0.464 nan 8.380 nan 0.000 0.556 340 S N -1.442 114.080 115.700 -0.296 0.000 2.667 340 S HA 0.641 5.113 4.470 0.003 0.000 0.292 340 S C -1.031 173.471 174.600 -0.163 0.000 1.126 340 S CA -0.688 57.361 58.200 -0.251 0.000 0.881 340 S CB 2.539 65.650 63.200 -0.149 0.000 1.132 340 S HN 0.117 nan 8.310 nan 0.000 0.492 341 D N 1.629 121.932 120.400 -0.162 0.000 2.405 341 D HA 0.433 5.075 4.640 0.003 0.000 0.264 341 D C -2.798 173.375 176.300 -0.213 0.000 1.240 341 D CA -1.629 52.291 54.000 -0.134 0.000 0.893 341 D CB 1.339 42.091 40.800 -0.080 0.000 1.198 341 D HN 0.336 nan 8.370 nan 0.000 0.514 342 P HA 0.087 nan 4.420 nan 0.000 0.271 342 P C -0.093 176.907 177.300 -0.500 0.000 1.216 342 P CA -0.327 62.407 63.100 -0.609 0.000 0.776 342 P CB 1.242 32.207 31.700 -1.224 0.000 0.881 343 S N 3.406 118.926 115.700 -0.299 0.000 3.363 343 S HA 0.186 4.657 4.470 0.003 0.000 0.267 343 S C -0.307 174.361 174.600 0.114 0.000 1.288 343 S CA -0.795 57.388 58.200 -0.029 0.000 0.948 343 S CB -1.068 62.160 63.200 0.046 0.000 1.397 343 S HN 0.234 nan 8.310 nan 0.000 0.493 344 W N 3.310 124.672 121.300 0.102 0.000 2.409 344 W HA 0.025 4.687 4.660 0.004 0.000 0.338 344 W C 1.029 177.658 176.519 0.184 0.000 1.273 344 W CA -0.166 57.239 57.345 0.100 0.000 1.299 344 W CB 0.085 29.558 29.460 0.022 0.000 1.192 344 W HN 0.688 nan 8.180 nan 0.000 0.565 345 F N 2.002 122.085 119.950 0.221 0.000 2.374 345 F HA 0.380 4.909 4.527 0.003 0.000 0.291 345 F C 1.211 176.988 175.800 -0.038 0.000 1.084 345 F CA 1.302 59.289 58.000 -0.022 0.000 1.413 345 F CB 0.056 39.001 39.000 -0.092 0.000 1.099 345 F HN 0.208 nan 8.300 nan 0.000 0.534 346 G N -1.099 107.858 108.800 0.261 0.000 2.645 346 G HA2 0.355 4.317 3.960 0.003 0.000 0.292 346 G HA3 0.355 4.317 3.960 0.003 0.000 0.292 346 G C -2.136 173.006 174.900 0.403 0.000 1.415 346 G CA -0.662 44.597 45.100 0.265 0.000 0.785 346 G HN -0.037 nan 8.290 nan 0.000 0.483 347 F N 2.855 122.975 119.950 0.284 0.000 2.311 347 F HA 0.524 5.053 4.527 0.004 0.000 0.371 347 F C -2.003 173.834 175.800 0.061 0.000 1.083 347 F CA -2.537 55.526 58.000 0.104 0.000 1.113 347 F CB 2.186 41.190 39.000 0.007 0.000 1.349 347 F HN 0.091 nan 8.300 nan 0.000 0.470 348 P HA 0.294 nan 4.420 nan 0.000 0.282 348 P C -0.771 176.267 177.300 -0.436 0.000 1.262 348 P CA 0.144 63.026 63.100 -0.363 0.000 0.773 348 P CB 1.614 32.925 31.700 -0.647 0.000 0.879 349 I N 2.314 122.602 120.570 -0.470 0.000 2.647 349 I HA 0.347 4.518 4.170 0.003 0.000 0.295 349 I C 0.069 176.019 176.117 -0.279 0.000 1.078 349 I CA -0.552 60.519 61.300 -0.382 0.000 1.048 349 I CB 2.565 40.268 38.000 -0.494 0.000 1.239 349 I HN 0.135 nan 8.210 nan 0.000 0.421 350 T N 5.965 120.532 114.554 0.022 0.000 2.791 350 T HA 0.380 4.732 4.350 0.003 0.000 0.288 350 T C -0.505 174.323 174.700 0.213 0.000 0.999 350 T CA -0.384 61.809 62.100 0.154 0.000 0.952 350 T CB 1.190 70.187 68.868 0.214 0.000 0.938 350 T HN 0.253 nan 8.240 nan 0.000 0.444 351 L N 4.292 125.700 121.223 0.308 0.000 2.410 351 L HA 0.350 4.692 4.340 0.003 0.000 0.273 351 L C 0.279 177.296 176.870 0.246 0.000 1.152 351 L CA 0.067 55.110 54.840 0.338 0.000 0.855 351 L CB 0.126 42.404 42.059 0.365 0.000 1.129 351 L HN 0.461 nan 8.230 nan 0.000 0.463 352 K N 3.801 124.347 120.400 0.242 0.000 2.350 352 K HA 0.031 4.352 4.320 0.003 0.000 0.279 352 K C 0.743 177.449 176.600 0.177 0.000 1.027 352 K CA -0.064 56.334 56.287 0.184 0.000 0.969 352 K CB 0.808 33.412 32.500 0.173 0.000 0.954 352 K HN 0.601 nan 8.250 nan 0.000 0.474 353 E N 1.303 121.581 120.200 0.131 0.000 2.110 353 E HA -0.195 4.156 4.350 0.003 0.000 0.193 353 E C 0.636 177.301 176.600 0.108 0.000 0.988 353 E CA 1.508 57.974 56.400 0.110 0.000 0.804 353 E CB -0.044 29.706 29.700 0.082 0.000 0.745 353 E HN 0.621 nan 8.360 nan 0.000 0.458 354 D N -0.431 120.037 120.400 0.113 0.000 2.344 354 D HA -0.040 4.602 4.640 0.003 0.000 0.242 354 D C 0.995 177.388 176.300 0.155 0.000 1.159 354 D CA 0.439 54.505 54.000 0.110 0.000 0.859 354 D CB -0.171 40.684 40.800 0.092 0.000 0.925 354 D HN 0.095 nan 8.370 nan 0.000 0.510 355 S N -0.966 114.850 115.700 0.192 0.000 2.436 355 S HA 0.212 4.684 4.470 0.003 0.000 0.228 355 S C 1.975 176.647 174.600 0.121 0.000 1.014 355 S CA 0.492 58.845 58.200 0.254 0.000 0.950 355 S CB -0.365 63.036 63.200 0.335 0.000 0.784 355 S HN 0.614 nan 8.310 nan 0.000 0.504 356 G N 0.074 108.922 108.800 0.080 0.000 2.201 356 G HA2 -0.172 3.789 3.960 0.003 0.000 0.212 356 G HA3 -0.172 3.789 3.960 0.003 0.000 0.212 356 G C 0.087 174.984 174.900 -0.005 0.000 0.994 356 G CA 0.016 45.126 45.100 0.018 0.000 0.644 356 G HN 1.503 nan 8.290 nan 0.000 0.508 357 V N -2.202 117.729 119.914 0.029 0.000 3.167 357 V HA 0.954 5.076 4.120 0.003 0.000 0.310 357 V C 0.304 176.432 176.094 0.058 0.000 1.207 357 V CA -0.418 61.897 62.300 0.025 0.000 1.059 357 V CB 1.449 33.288 31.823 0.026 0.000 1.079 357 V HN 0.454 nan 8.190 nan 0.000 0.446 358 S N -0.277 115.447 115.700 0.039 0.000 2.687 358 S HA 0.481 4.953 4.470 0.003 0.000 0.283 358 S C 0.875 175.484 174.600 0.016 0.000 1.170 358 S CA -0.497 57.724 58.200 0.034 0.000 1.008 358 S CB 1.571 64.779 63.200 0.014 0.000 1.026 358 S HN 0.882 nan 8.310 nan 0.000 0.541 359 R N 0.526 121.033 120.500 0.011 0.000 2.120 359 R HA -0.064 4.278 4.340 0.003 0.000 0.234 359 R C 1.496 177.712 176.300 -0.140 0.000 1.123 359 R CA 1.116 57.185 56.100 -0.052 0.000 0.975 359 R CB -0.254 30.052 30.300 0.010 0.000 0.866 359 R HN 0.592 nan 8.270 nan 0.000 0.446 360 I N 1.705 122.228 120.570 -0.078 0.000 2.208 360 I HA -0.278 3.893 4.170 0.003 0.000 0.245 360 I C 1.554 177.618 176.117 -0.088 0.000 1.097 360 I CA 1.506 62.757 61.300 -0.082 0.000 1.363 360 I CB -1.110 36.866 38.000 -0.039 0.000 1.051 360 I HN 0.236 nan 8.210 nan 0.000 0.413 361 D N 0.522 120.891 120.400 -0.051 0.000 2.097 361 D HA -0.173 4.469 4.640 0.003 0.000 0.195 361 D C 2.206 178.472 176.300 -0.057 0.000 0.989 361 D CA 0.980 54.985 54.000 0.008 0.000 0.827 361 D CB -0.214 40.631 40.800 0.076 0.000 0.966 361 D HN 0.187 nan 8.370 nan 0.000 0.456 362 L N 0.946 121.986 121.223 -0.305 0.000 2.027 362 L HA -0.115 4.227 4.340 0.003 0.000 0.206 362 L C 2.355 178.868 176.870 -0.595 0.000 1.074 362 L CA 1.251 55.591 54.840 -0.834 0.000 0.745 362 L CB -0.600 40.924 42.059 -0.892 0.000 0.898 362 L HN -0.158 nan 8.230 nan 0.000 0.433 363 V N -0.095 119.514 119.914 -0.509 0.000 2.332 363 V HA -0.345 3.776 4.120 0.003 0.000 0.248 363 V C 2.690 178.639 176.094 -0.241 0.000 1.055 363 V CA 2.242 64.288 62.300 -0.423 0.000 1.038 363 V CB -0.618 30.993 31.823 -0.353 0.000 0.651 363 V HN 0.513 nan 8.190 nan 0.000 0.450 364 K N -0.917 119.389 120.400 -0.157 0.000 2.057 364 K HA -0.180 4.142 4.320 0.003 0.000 0.206 364 K C 2.106 178.677 176.600 -0.047 0.000 1.050 364 K CA 1.596 57.836 56.287 -0.080 0.000 0.935 364 K CB -0.263 32.216 32.500 -0.035 0.000 0.715 364 K HN 0.390 nan 8.250 nan 0.000 0.439 365 F N 1.683 121.534 119.950 -0.165 0.000 2.095 365 F HA -0.191 4.338 4.527 0.002 0.000 0.298 365 F C 1.621 177.331 175.800 -0.150 0.000 1.104 365 F CA 1.461 59.392 58.000 -0.114 0.000 1.232 365 F CB -0.253 38.712 39.000 -0.059 0.000 0.987 365 F HN -0.042 nan 8.300 nan 0.000 0.475 366 L N -0.006 121.089 121.223 -0.213 0.000 2.083 366 L HA -0.230 4.112 4.340 0.003 0.000 0.209 366 L C 2.278 179.041 176.870 -0.178 0.000 1.083 366 L CA 1.678 56.377 54.840 -0.236 0.000 0.752 366 L CB -0.882 41.061 42.059 -0.194 0.000 0.899 366 L HN 0.189 nan 8.230 nan 0.000 0.433 367 D N 0.435 120.743 120.400 -0.153 0.000 2.104 367 D HA -0.216 4.426 4.640 0.003 0.000 0.194 367 D C 2.004 178.243 176.300 -0.103 0.000 0.994 367 D CA 1.442 55.381 54.000 -0.102 0.000 0.830 367 D CB 0.085 40.831 40.800 -0.091 0.000 0.959 367 D HN 0.350 nan 8.370 nan 0.000 0.452 368 E N -0.303 119.806 120.200 -0.152 0.000 2.204 368 E HA -0.058 4.294 4.350 0.003 0.000 0.195 368 E C 1.623 178.130 176.600 -0.155 0.000 0.990 368 E CA 0.873 57.186 56.400 -0.146 0.000 0.821 368 E CB -0.074 29.527 29.700 -0.165 0.000 0.750 368 E HN 0.290 nan 8.360 nan 0.000 0.477 369 A N 0.855 123.542 122.820 -0.220 0.000 2.278 369 A HA 0.007 4.329 4.320 0.003 0.000 0.212 369 A C 0.400 178.062 177.584 0.130 0.000 1.213 369 A CA -0.008 51.971 52.037 -0.096 0.000 0.840 369 A CB 0.024 18.857 19.000 -0.279 0.000 0.866 369 A HN 0.013 nan 8.150 nan 0.000 0.489 370 K N -1.977 118.455 120.400 0.053 0.000 3.467 370 K HA -0.120 4.202 4.320 0.003 0.000 0.309 370 K C -0.345 176.339 176.600 0.141 0.000 1.350 370 K CA 0.906 57.244 56.287 0.086 0.000 0.934 370 K CB -2.687 29.861 32.500 0.081 0.000 1.312 370 K HN 0.321 nan 8.250 nan 0.000 0.461 371 V N 1.189 121.181 119.914 0.130 0.000 2.333 371 V HA 0.427 4.549 4.120 0.003 0.000 0.274 371 V C 1.330 177.465 176.094 0.069 0.000 1.028 371 V CA -0.212 62.178 62.300 0.151 0.000 0.851 371 V CB 1.383 33.315 31.823 0.182 0.000 1.000 371 V HN 0.327 nan 8.190 nan 0.000 0.456 372 G N 3.848 112.687 108.800 0.065 0.000 2.483 372 G HA2 0.533 4.495 3.960 0.003 0.000 0.248 372 G HA3 0.533 4.495 3.960 0.003 0.000 0.248 372 G C 0.095 174.977 174.900 -0.030 0.000 1.248 372 G CA 0.238 45.338 45.100 -0.000 0.000 0.838 372 G HN 0.810 nan 8.290 nan 0.000 0.566 373 T N -0.966 113.523 114.554 -0.108 0.000 2.883 373 T HA 0.810 5.162 4.350 0.003 0.000 0.296 373 T C -0.711 173.800 174.700 -0.316 0.000 1.117 373 T CA -1.175 60.835 62.100 -0.150 0.000 1.006 373 T CB 2.529 71.332 68.868 -0.109 0.000 1.191 373 T HN 0.495 nan 8.240 nan 0.000 0.508 374 R N 0.844 121.028 120.500 -0.526 0.000 2.651 374 R HA 0.532 4.874 4.340 0.003 0.000 0.278 374 R C -0.725 175.333 176.300 -0.403 0.000 1.010 374 R CA -0.794 54.937 56.100 -0.615 0.000 0.896 374 R CB 2.006 31.563 30.300 -1.237 0.000 1.211 374 R HN 0.726 nan 8.270 nan 0.000 0.456 375 L N 1.410 122.560 121.223 -0.121 0.000 2.468 375 L HA 0.337 4.679 4.340 0.003 0.000 0.254 375 L C 0.781 177.679 176.870 0.047 0.000 1.171 375 L CA -0.987 53.870 54.840 0.029 0.000 0.809 375 L CB 0.297 42.390 42.059 0.057 0.000 1.155 375 L HN 0.296 nan 8.230 nan 0.000 0.473 376 L N 2.546 123.801 121.223 0.053 0.000 2.376 376 L HA 0.139 4.481 4.340 0.003 0.000 0.250 376 L C -0.174 176.680 176.870 -0.026 0.000 1.335 376 L CA 0.542 55.320 54.840 -0.104 0.000 1.214 376 L CB -1.766 40.261 42.059 -0.054 0.000 1.395 376 L HN 0.451 nan 8.230 nan 0.000 0.424 377 F N 0.288 120.424 119.950 0.311 0.000 2.756 377 F HA -0.473 4.056 4.527 0.003 0.000 0.240 377 F C 1.990 177.891 175.800 0.168 0.000 1.487 377 F CA 1.337 59.510 58.000 0.287 0.000 1.859 377 F CB -1.954 37.263 39.000 0.361 0.000 1.319 377 F HN 0.275 nan 8.300 nan 0.000 0.230 378 A N 0.800 123.836 122.820 0.360 0.000 2.070 378 A HA 0.321 4.643 4.320 0.003 0.000 0.220 378 A C 2.330 179.963 177.584 0.082 0.000 1.159 378 A CA 3.090 55.217 52.037 0.151 0.000 0.656 378 A CB -1.327 17.714 19.000 0.067 0.000 0.800 378 A HN 2.326 nan 8.150 nan 0.000 0.453 379 G N -0.292 108.570 108.800 0.103 0.000 5.452 379 G HA2 -0.386 3.576 3.960 0.003 0.000 0.310 379 G HA3 -0.386 3.576 3.960 0.003 0.000 0.310 379 G C 0.283 175.171 174.900 -0.019 0.000 1.392 379 G CA 0.578 45.708 45.100 0.050 0.000 0.942 379 G HN 1.144 nan 8.290 nan 0.000 0.776 380 N N 0.159 118.804 118.700 -0.091 0.000 2.607 380 N HA 0.532 5.273 4.740 0.003 0.000 0.271 380 N C 1.358 176.658 175.510 -0.350 0.000 1.142 380 N CA -0.367 52.552 53.050 -0.219 0.000 0.810 380 N CB 0.654 39.029 38.487 -0.187 0.000 1.306 380 N HN 0.311 nan 8.380 nan 0.000 0.536 381 L N 1.348 122.272 121.223 -0.498 0.000 2.051 381 L HA -0.251 4.091 4.340 0.003 0.000 0.214 381 L C 2.661 178.859 176.870 -1.120 0.000 1.076 381 L CA 2.089 56.487 54.840 -0.736 0.000 0.758 381 L CB -0.738 40.795 42.059 -0.877 0.000 0.890 381 L HN 0.719 nan 8.230 nan 0.000 0.433 382 T N -2.762 111.059 114.554 -1.222 0.000 2.897 382 T HA -0.215 4.136 4.350 0.003 0.000 0.271 382 T C 1.769 176.225 174.700 -0.407 0.000 1.084 382 T CA 1.029 62.529 62.100 -1.000 0.000 1.123 382 T CB -0.301 68.083 68.868 -0.808 0.000 0.865 382 T HN 0.377 nan 8.240 nan 0.000 0.496 383 R N 0.464 120.776 120.500 -0.314 0.000 2.317 383 R HA 0.225 4.566 4.340 0.003 0.000 0.208 383 R C 0.475 176.736 176.300 -0.064 0.000 0.914 383 R CA -0.140 55.883 56.100 -0.129 0.000 1.060 383 R CB 0.177 30.417 30.300 -0.099 0.000 1.015 383 R HN 0.427 nan 8.270 nan 0.000 0.498 384 Q N 1.424 121.163 119.800 -0.101 0.000 2.332 384 Q HA 0.064 4.406 4.340 0.003 0.000 0.263 384 Q C -1.544 174.513 176.000 0.095 0.000 0.979 384 Q CA -1.556 54.262 55.803 0.026 0.000 0.885 384 Q CB 0.949 29.736 28.738 0.082 0.000 1.218 384 Q HN 0.002 nan 8.270 nan 0.000 0.405 385 P HA -0.218 nan 4.420 nan 0.000 0.217 385 P C 1.035 178.462 177.300 0.211 0.000 1.148 385 P CA 1.655 64.851 63.100 0.160 0.000 0.834 385 P CB -0.186 31.587 31.700 0.122 0.000 0.783 386 Y N -2.674 117.697 120.300 0.119 0.000 2.571 386 Y HA 0.146 4.697 4.550 0.003 0.000 0.294 386 Y C 1.580 177.539 175.900 0.099 0.000 1.141 386 Y CA 0.140 58.294 58.100 0.089 0.000 1.308 386 Y CB -1.410 37.078 38.460 0.046 0.000 1.002 386 Y HN -0.252 nan 8.280 nan 0.000 0.551 387 F N 0.667 120.370 119.950 -0.412 0.000 2.765 387 F HA 0.079 4.608 4.527 0.003 0.000 0.302 387 F C 2.544 178.312 175.800 -0.052 0.000 1.111 387 F CA 0.102 57.875 58.000 -0.378 0.000 1.359 387 F CB -0.483 38.206 39.000 -0.518 0.000 1.097 387 F HN 0.319 nan 8.300 nan 0.000 0.577 388 H N 0.211 119.312 119.070 0.051 0.000 2.353 388 H HA -0.169 4.389 4.556 0.003 0.000 0.298 388 H C 0.624 175.990 175.328 0.063 0.000 1.103 388 H CA 2.141 58.232 56.048 0.071 0.000 1.293 388 H CB 0.237 30.030 29.762 0.052 0.000 1.372 388 H HN 0.162 nan 8.280 nan 0.000 0.501 389 D N 0.355 120.831 120.400 0.127 0.000 2.479 389 D HA 0.132 4.774 4.640 0.003 0.000 0.218 389 D C -0.110 176.190 176.300 -0.001 0.000 1.177 389 D CA -0.126 53.910 54.000 0.060 0.000 0.830 389 D CB 0.946 41.825 40.800 0.132 0.000 1.014 389 D HN 0.020 nan 8.370 nan 0.000 0.503 390 V N 1.346 121.232 119.914 -0.046 0.000 2.686 390 V HA 0.043 4.164 4.120 0.003 0.000 0.295 390 V C 0.651 176.799 176.094 0.091 0.000 1.055 390 V CA -0.376 61.856 62.300 -0.113 0.000 1.050 390 V CB 1.558 33.011 31.823 -0.617 0.000 0.984 390 V HN -0.076 nan 8.190 nan 0.000 0.482 391 K N 5.162 125.586 120.400 0.040 0.000 2.262 391 K HA 0.463 4.785 4.320 0.003 0.000 0.282 391 K C -1.072 175.618 176.600 0.149 0.000 1.066 391 K CA -0.353 55.950 56.287 0.027 0.000 0.901 391 K CB 0.466 32.954 32.500 -0.020 0.000 1.089 391 K HN 0.703 nan 8.250 nan 0.000 0.476 392 Y N 0.202 120.542 120.300 0.068 0.000 2.705 392 Y HA 0.565 5.117 4.550 0.003 0.000 0.332 392 Y C -1.347 174.609 175.900 0.095 0.000 1.221 392 Y CA -1.440 56.725 58.100 0.108 0.000 1.059 392 Y CB 1.125 39.800 38.460 0.358 0.000 1.298 392 Y HN 0.330 nan 8.280 nan 0.000 0.459 393 R N 1.015 121.649 120.500 0.222 0.000 2.744 393 R HA 0.739 5.081 4.340 0.003 0.000 0.279 393 R C -1.781 174.703 176.300 0.308 0.000 0.977 393 R CA -1.321 54.854 56.100 0.124 0.000 0.906 393 R CB 2.902 33.217 30.300 0.026 0.000 1.197 393 R HN 0.768 nan 8.270 nan 0.000 0.463 394 V N 1.792 121.853 119.914 0.244 0.000 2.531 394 V HA 0.498 4.620 4.120 0.003 0.000 0.301 394 V C -1.109 175.057 176.094 0.119 0.000 1.034 394 V CA -0.537 61.917 62.300 0.257 0.000 0.865 394 V CB 1.996 33.989 31.823 0.283 0.000 0.995 394 V HN 0.458 nan 8.190 nan 0.000 0.424 395 V N 7.952 127.919 119.914 0.089 0.000 2.350 395 V HA 0.901 5.023 4.120 0.003 0.000 0.276 395 V C 1.103 177.219 176.094 0.037 0.000 1.028 395 V CA 0.917 63.242 62.300 0.042 0.000 0.860 395 V CB 0.158 31.989 31.823 0.015 0.000 0.990 395 V HN 1.816 nan 8.190 nan 0.000 0.453 396 G N 5.011 113.827 108.800 0.027 0.000 2.499 396 G HA2 -0.095 3.867 3.960 0.003 0.000 0.232 396 G HA3 -0.095 3.867 3.960 0.003 0.000 0.232 396 G C -0.510 174.405 174.900 0.024 0.000 1.251 396 G CA 0.051 45.163 45.100 0.020 0.000 0.917 396 G HN 0.865 nan 8.290 nan 0.000 0.580 397 E N -0.019 120.191 120.200 0.018 0.000 2.277 397 E HA 0.606 4.957 4.350 0.003 0.000 0.266 397 E C -0.163 176.441 176.600 0.006 0.000 0.901 397 E CA -1.086 55.322 56.400 0.013 0.000 0.782 397 E CB 1.630 31.335 29.700 0.008 0.000 1.228 397 E HN 0.679 nan 8.360 nan 0.000 0.424 398 L N 2.067 123.287 121.223 -0.006 0.000 3.029 398 L HA 0.161 4.503 4.340 0.003 0.000 0.231 398 L C 0.986 177.845 176.870 -0.019 0.000 1.327 398 L CA -0.160 54.665 54.840 -0.025 0.000 1.166 398 L CB -0.361 41.656 42.059 -0.071 0.000 1.532 398 L HN 0.537 nan 8.230 nan 0.000 0.473 399 T N -0.632 113.918 114.554 -0.006 0.000 2.622 399 T HA -0.201 4.151 4.350 0.003 0.000 0.266 399 T C 1.666 176.370 174.700 0.006 0.000 1.047 399 T CA 1.969 64.070 62.100 0.001 0.000 1.159 399 T CB -0.140 68.731 68.868 0.004 0.000 0.863 399 T HN 0.537 nan 8.240 nan 0.000 0.422 400 N N 0.202 118.905 118.700 0.005 0.000 2.188 400 N HA -0.086 4.655 4.740 0.003 0.000 0.184 400 N C 1.931 177.458 175.510 0.028 0.000 1.018 400 N CA 1.292 54.350 53.050 0.013 0.000 0.858 400 N CB -0.136 38.350 38.487 -0.002 0.000 0.989 400 N HN 0.307 nan 8.380 nan 0.000 0.426 401 T N 0.894 115.454 114.554 0.009 0.000 2.708 401 T HA -0.126 4.225 4.350 0.003 0.000 0.266 401 T C 1.152 175.852 174.700 0.001 0.000 1.037 401 T CA 1.143 63.243 62.100 -0.000 0.000 1.146 401 T CB -0.250 68.585 68.868 -0.055 0.000 0.865 401 T HN 0.190 nan 8.240 nan 0.000 0.435 402 D N 0.412 120.807 120.400 -0.008 0.000 2.178 402 D HA -0.021 4.621 4.640 0.003 0.000 0.202 402 D C 2.253 178.570 176.300 0.029 0.000 0.974 402 D CA 0.647 54.647 54.000 -0.001 0.000 0.841 402 D CB -0.210 40.586 40.800 -0.006 0.000 0.953 402 D HN 0.287 nan 8.370 nan 0.000 0.478 403 R N 0.367 120.892 120.500 0.042 0.000 2.075 403 R HA -0.035 4.307 4.340 0.003 0.000 0.232 403 R C 2.400 178.758 176.300 0.097 0.000 1.126 403 R CA 0.623 56.763 56.100 0.066 0.000 0.963 403 R CB -0.165 30.173 30.300 0.063 0.000 0.858 403 R HN 0.140 nan 8.270 nan 0.000 0.435 404 I N 0.633 121.269 120.570 0.109 0.000 2.179 404 I HA -0.340 3.831 4.170 0.003 0.000 0.242 404 I C 2.704 178.886 176.117 0.109 0.000 1.088 404 I CA 1.412 62.800 61.300 0.147 0.000 1.357 404 I CB -0.215 37.887 38.000 0.171 0.000 1.051 404 I HN 0.341 nan 8.210 nan 0.000 0.409 405 M N 0.585 120.228 119.600 0.073 0.000 2.149 405 M HA -0.244 4.238 4.480 0.003 0.000 0.261 405 M C 1.709 178.048 176.300 0.064 0.000 1.064 405 M CA 1.941 57.274 55.300 0.055 0.000 1.102 405 M CB -0.184 32.428 32.600 0.020 0.000 1.369 405 M HN 0.276 nan 8.290 nan 0.000 0.408 406 N N -0.707 118.034 118.700 0.069 0.000 2.387 406 N HA -0.027 4.715 4.740 0.003 0.000 0.176 406 N C 1.248 176.818 175.510 0.099 0.000 1.022 406 N CA 0.911 54.003 53.050 0.071 0.000 0.883 406 N CB 0.097 38.619 38.487 0.059 0.000 1.019 406 N HN 0.486 nan 8.380 nan 0.000 0.435 407 Q N -0.076 119.801 119.800 0.129 0.000 2.246 407 Q HA 0.223 4.564 4.340 0.003 0.000 0.222 407 Q C 0.002 176.151 176.000 0.247 0.000 0.851 407 Q CA 0.255 56.164 55.803 0.176 0.000 0.945 407 Q CB 0.897 29.731 28.738 0.161 0.000 1.122 407 Q HN 0.137 nan 8.270 nan 0.000 0.508 408 T N 1.877 116.561 114.554 0.217 0.000 2.934 408 T HA 0.649 5.001 4.350 0.003 0.000 0.283 408 T C -0.198 174.666 174.700 0.273 0.000 1.005 408 T CA -0.411 61.803 62.100 0.190 0.000 1.041 408 T CB 0.699 69.629 68.868 0.104 0.000 1.042 408 T HN 0.162 nan 8.240 nan 0.000 0.505 409 F N -1.040 118.936 119.950 0.042 0.000 2.807 409 F HA 0.755 5.284 4.527 0.003 0.000 0.316 409 F C -2.267 173.610 175.800 0.129 0.000 1.162 409 F CA -1.604 56.414 58.000 0.031 0.000 0.910 409 F CB 1.135 40.130 39.000 -0.007 0.000 1.314 409 F HN 0.741 nan 8.300 nan 0.000 0.454 410 W N 2.635 123.956 121.300 0.035 0.000 3.031 410 W HA 0.841 5.503 4.660 0.002 0.000 0.337 410 W C -1.765 174.878 176.519 0.206 0.000 1.187 410 W CA -1.540 55.789 57.345 -0.027 0.000 1.166 410 W CB 0.926 30.345 29.460 -0.069 0.000 1.437 410 W HN 0.956 nan 8.180 nan 0.000 0.551 411 I N -0.320 120.536 120.570 0.476 0.000 3.206 411 I HA 0.913 5.085 4.170 0.003 0.000 0.313 411 I C 0.304 176.690 176.117 0.449 0.000 1.103 411 I CA -1.324 60.181 61.300 0.341 0.000 0.985 411 I CB 1.743 39.936 38.000 0.321 0.000 1.240 411 I HN 0.525 nan 8.210 nan 0.000 0.464 412 G N 1.329 110.314 108.800 0.308 0.000 2.467 412 G HA2 0.501 4.463 3.960 0.003 0.000 0.257 412 G HA3 0.501 4.463 3.960 0.003 0.000 0.257 412 G C -0.243 174.782 174.900 0.210 0.000 1.227 412 G CA -0.259 45.048 45.100 0.345 0.000 0.835 412 G HN 0.842 nan 8.290 nan 0.000 0.556 413 I N -1.585 119.124 120.570 0.233 0.000 4.014 413 I HA 0.218 4.390 4.170 0.003 0.000 0.339 413 I C 0.007 176.175 176.117 0.086 0.000 1.357 413 I CA -1.390 59.974 61.300 0.107 0.000 1.070 413 I CB -0.956 37.163 38.000 0.198 0.000 1.809 413 I HN 0.512 nan 8.210 nan 0.000 0.664 414 Y N 0.109 120.379 120.300 -0.050 0.000 2.357 414 Y HA 0.602 5.154 4.550 0.004 0.000 0.340 414 Y C -1.491 174.331 175.900 -0.130 0.000 1.260 414 Y CA -1.826 56.193 58.100 -0.136 0.000 1.425 414 Y CB -0.281 38.039 38.460 -0.233 0.000 1.326 414 Y HN -0.177 nan 8.280 nan 0.000 0.580 415 P HA -0.207 nan 4.420 nan 0.000 0.219 415 P C 1.351 178.472 177.300 -0.298 0.000 1.149 415 P CA 2.594 65.595 63.100 -0.165 0.000 0.835 415 P CB -0.102 31.486 31.700 -0.187 0.000 0.778 416 G N -2.252 106.175 108.800 -0.622 0.000 2.848 416 G HA2 0.025 3.987 3.960 0.003 0.000 0.208 416 G HA3 0.025 3.987 3.960 0.003 0.000 0.208 416 G C 0.169 174.624 174.900 -0.741 0.000 1.152 416 G CA 0.091 44.842 45.100 -0.582 0.000 0.789 416 G HN 0.141 nan 8.290 nan 0.000 0.531 417 L N 2.009 122.735 121.223 -0.829 0.000 2.282 417 L HA 0.435 4.777 4.340 0.003 0.000 0.288 417 L C 0.856 177.581 176.870 -0.243 0.000 1.033 417 L CA -0.753 53.682 54.840 -0.675 0.000 0.807 417 L CB 1.347 43.051 42.059 -0.592 0.000 1.209 417 L HN 0.115 nan 8.230 nan 0.000 0.423 418 T N -1.556 113.029 114.554 0.052 0.000 2.884 418 T HA 0.280 4.631 4.350 0.003 0.000 0.277 418 T C 1.173 175.901 174.700 0.046 0.000 0.976 418 T CA -0.295 61.852 62.100 0.079 0.000 0.956 418 T CB 0.630 69.554 68.868 0.092 0.000 1.113 418 T HN 0.514 nan 8.240 nan 0.000 0.554 419 H N -0.149 118.777 119.070 -0.240 0.000 2.456 419 H HA 0.052 4.609 4.556 0.002 0.000 0.296 419 H C 1.614 176.834 175.328 -0.180 0.000 1.079 419 H CA 1.584 57.419 56.048 -0.355 0.000 1.322 419 H CB -0.491 28.964 29.762 -0.511 0.000 1.388 419 H HN 0.704 nan 8.280 nan 0.000 0.538 420 D N -0.995 119.345 120.400 -0.100 0.000 2.144 420 D HA -0.105 4.537 4.640 0.003 0.000 0.200 420 D C 2.033 177.921 176.300 -0.687 0.000 0.978 420 D CA 0.863 54.723 54.000 -0.233 0.000 0.833 420 D CB -0.038 40.662 40.800 -0.167 0.000 0.961 420 D HN 0.500 nan 8.370 nan 0.000 0.470 421 H N 0.036 118.637 119.070 -0.782 0.000 2.321 421 H HA -0.021 4.537 4.556 0.003 0.000 0.300 421 H C 2.256 177.367 175.328 -0.362 0.000 1.087 421 H CA 0.854 56.365 56.048 -0.896 0.000 1.319 421 H CB -0.225 29.233 29.762 -0.507 0.000 1.379 421 H HN 0.196 nan 8.280 nan 0.000 0.501 422 L N 0.362 121.539 121.223 -0.077 0.000 2.093 422 L HA -0.147 4.195 4.340 0.003 0.000 0.208 422 L C 2.216 179.100 176.870 0.022 0.000 1.085 422 L CA 0.864 55.690 54.840 -0.023 0.000 0.755 422 L CB -0.340 41.721 42.059 0.003 0.000 0.904 422 L HN 0.095 nan 8.230 nan 0.000 0.435 423 D N -0.451 119.990 120.400 0.069 0.000 2.123 423 D HA -0.248 4.394 4.640 0.003 0.000 0.196 423 D C 1.916 178.285 176.300 0.114 0.000 0.992 423 D CA 1.370 55.424 54.000 0.091 0.000 0.833 423 D CB -0.187 40.688 40.800 0.126 0.000 0.954 423 D HN 0.312 nan 8.370 nan 0.000 0.455 424 Y N 1.402 121.712 120.300 0.017 0.000 2.145 424 Y HA -0.219 4.332 4.550 0.002 0.000 0.286 424 Y C 2.218 178.200 175.900 0.137 0.000 1.145 424 Y CA 1.137 59.313 58.100 0.127 0.000 1.148 424 Y CB -0.379 38.230 38.460 0.249 0.000 0.981 424 Y HN -0.204 nan 8.280 nan 0.000 0.507 425 V N -0.841 119.155 119.914 0.136 0.000 2.295 425 V HA -0.322 3.799 4.120 0.003 0.000 0.246 425 V C 2.387 178.552 176.094 0.118 0.000 1.049 425 V CA 1.823 64.192 62.300 0.116 0.000 1.024 425 V CB -0.929 30.963 31.823 0.115 0.000 0.648 425 V HN 0.355 nan 8.190 nan 0.000 0.447 426 V N 0.890 120.807 119.914 0.005 0.000 2.332 426 V HA -0.253 3.869 4.120 0.003 0.000 0.248 426 V C 2.756 178.908 176.094 0.097 0.000 1.055 426 V CA 2.389 64.679 62.300 -0.017 0.000 1.038 426 V CB -0.791 30.964 31.823 -0.114 0.000 0.651 426 V HN 0.787 nan 8.190 nan 0.000 0.450 427 S N -0.510 115.219 115.700 0.048 0.000 2.402 427 S HA -0.199 4.273 4.470 0.003 0.000 0.229 427 S C 1.992 176.653 174.600 0.102 0.000 1.021 427 S CA 0.997 59.230 58.200 0.054 0.000 0.974 427 S CB -0.294 62.914 63.200 0.014 0.000 0.800 427 S HN 0.460 nan 8.310 nan 0.000 0.484 428 K N 0.444 120.882 120.400 0.063 0.000 2.103 428 K HA 0.128 4.449 4.320 0.003 0.000 0.204 428 K C 1.639 178.477 176.600 0.398 0.000 1.052 428 K CA 0.801 57.192 56.287 0.173 0.000 0.945 428 K CB -0.708 31.779 32.500 -0.022 0.000 0.722 428 K HN 0.475 nan 8.250 nan 0.000 0.443 429 F N 2.006 122.100 119.950 0.239 0.000 2.113 429 F HA -0.118 4.411 4.527 0.003 0.000 0.297 429 F C 2.304 178.415 175.800 0.519 0.000 1.103 429 F CA 1.291 59.535 58.000 0.407 0.000 1.248 429 F CB -0.257 38.947 39.000 0.340 0.000 0.999 429 F HN 0.134 nan 8.300 nan 0.000 0.475 430 E N -0.222 120.277 120.200 0.498 0.000 2.058 430 E HA -0.276 4.076 4.350 0.003 0.000 0.194 430 E C 2.162 178.936 176.600 0.291 0.000 0.997 430 E CA 1.481 58.096 56.400 0.359 0.000 0.801 430 E CB -0.292 29.529 29.700 0.201 0.000 0.746 430 E HN 0.482 nan 8.360 nan 0.000 0.450 431 E N 0.359 120.701 120.200 0.238 0.000 2.058 431 E HA -0.226 4.126 4.350 0.003 0.000 0.194 431 E C 1.890 178.501 176.600 0.017 0.000 0.997 431 E CA 1.014 57.521 56.400 0.178 0.000 0.801 431 E CB -0.193 29.655 29.700 0.246 0.000 0.746 431 E HN 0.242 nan 8.360 nan 0.000 0.450 432 F N -0.321 119.451 119.950 -0.296 0.000 2.333 432 F HA -0.130 4.399 4.527 0.002 0.000 0.300 432 F C 1.072 176.419 175.800 -0.756 0.000 1.083 432 F CA 1.095 58.536 58.000 -0.930 0.000 1.395 432 F CB 0.071 38.303 39.000 -1.280 0.000 1.056 432 F HN 0.005 nan 8.300 nan 0.000 0.529 433 F N 0.189 120.066 119.950 -0.123 0.000 2.653 433 F HA 0.344 4.873 4.527 0.003 0.000 0.304 433 F C 1.725 177.431 175.800 -0.158 0.000 1.092 433 F CA 0.352 58.225 58.000 -0.212 0.000 1.279 433 F CB 0.020 39.041 39.000 0.035 0.000 1.044 433 F HN 0.012 nan 8.300 nan 0.000 0.564 434 G N 0.900 109.723 108.800 0.039 0.000 2.233 434 G HA2 -0.333 3.629 3.960 0.003 0.000 0.270 434 G HA3 -0.333 3.629 3.960 0.003 0.000 0.270 434 G C 1.089 176.130 174.900 0.236 0.000 1.011 434 G CA 0.670 45.847 45.100 0.128 0.000 0.762 434 G HN 0.469 nan 8.290 nan 0.000 0.511 435 L N 0.491 121.861 121.223 0.245 0.000 2.478 435 L HA 0.044 4.386 4.340 0.003 0.000 0.223 435 L C 2.363 179.315 176.870 0.137 0.000 1.140 435 L CA 0.954 55.925 54.840 0.218 0.000 0.842 435 L CB -0.288 41.914 42.059 0.239 0.000 0.953 435 L HN 0.507 nan 8.230 nan 0.000 0.452 436 N N -0.303 118.458 118.700 0.101 0.000 2.521 436 N HA -0.062 4.680 4.740 0.003 0.000 0.188 436 N C 0.145 175.472 175.510 -0.304 0.000 1.146 436 N CA 0.375 53.369 53.050 -0.093 0.000 0.893 436 N CB 0.016 38.415 38.487 -0.147 0.000 0.975 436 N HN 0.178 nan 8.380 nan 0.000 0.451 437 F N 0.000 119.973 119.950 0.039 0.000 2.286 437 F HA 0.000 4.530 4.527 0.005 0.000 0.279 437 F CA 0.000 58.015 58.000 0.026 0.000 1.383 437 F CB 0.000 39.007 39.000 0.011 0.000 1.145 437 F HN 0.000 nan 8.300 nan 0.000 0.574