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 2fkp_1_D DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKXX XXXXXXXXTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TIAGALDLLR GTFLPAILGQ TFANPEAVSD ALGSYRGNRM DATA SEQUENCE ARAMVEMAAW DLWARTLGVP LCTLLGGHKE QVEVGVSLGI QADEQATVDL DATA SEQUENCE VRRHVEQGYR RIKLKIKPGW DVQPVRATRE AFPDIRLTVD ANSAYTLADA DATA SEQUENCE GRLRQLDEYD LTYIEQPLAW DDLVDHAELA RRIRTPLCLD ESVASASDAR DATA SEQUENCE KALALGAGGV INLKVARVGG HAESRRVHDV AQSFGAPVWC GGMLESGIGR DATA SEQUENCE AHNIHLSCLS NFRLPGDTSS ASRYWERDLI QEPLEAVDGL MPVPQGPGTG DATA SEQUENCE VTLDREFLAT VTEAQEEHRA 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 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.487 176.300 0.312 0.000 0.893 6 R CA 0.000 56.230 56.100 0.217 0.000 0.921 6 R CB 0.000 30.374 30.300 0.124 0.000 0.687 7 M N 1.199 120.911 119.600 0.187 0.000 2.202 7 M HA 0.369 4.849 4.480 -0.000 0.000 0.316 7 M C -0.440 176.008 176.300 0.248 0.000 1.138 7 M CA -0.104 55.279 55.300 0.138 0.000 1.151 7 M CB 0.155 32.729 32.600 -0.043 0.000 1.422 7 M HN 0.504 nan 8.290 nan 0.000 0.471 8 F N -0.515 119.500 119.950 0.109 0.000 2.529 8 F HA 0.651 5.178 4.527 -0.000 0.000 0.320 8 F C -0.755 175.115 175.800 0.117 0.000 1.118 8 F CA -1.221 56.861 58.000 0.135 0.000 0.915 8 F CB 0.976 40.097 39.000 0.202 0.000 1.161 8 F HN 0.441 nan 8.300 nan 0.000 0.445 9 K N 5.212 125.727 120.400 0.191 0.000 2.234 9 K HA 0.518 4.838 4.320 -0.000 0.000 0.277 9 K C -0.878 175.864 176.600 0.236 0.000 1.038 9 K CA -0.567 55.788 56.287 0.113 0.000 0.888 9 K CB 0.852 33.386 32.500 0.056 0.000 1.091 9 K HN 0.894 nan 8.250 nan 0.000 0.467 10 I N 5.118 125.846 120.570 0.263 0.000 2.347 10 I HA 0.022 4.191 4.170 -0.000 0.000 0.294 10 I C 0.683 176.913 176.117 0.188 0.000 1.090 10 I CA 0.047 61.508 61.300 0.270 0.000 1.314 10 I CB 0.932 39.115 38.000 0.304 0.000 1.423 10 I HN 0.781 nan 8.210 nan 0.000 0.503 11 E N 4.437 124.744 120.200 0.178 0.000 2.216 11 E HA 0.254 4.603 4.350 -0.000 0.000 0.192 11 E C 0.408 177.090 176.600 0.137 0.000 0.973 11 E CA 0.204 56.684 56.400 0.134 0.000 0.851 11 E CB 0.487 30.256 29.700 0.114 0.000 0.804 11 E HN 0.757 nan 8.360 nan 0.000 0.477 12 A N 0.320 123.255 122.820 0.192 0.000 2.606 12 A HA 0.803 5.123 4.320 -0.000 0.000 0.293 12 A C -1.656 176.099 177.584 0.285 0.000 1.082 12 A CA -0.343 51.815 52.037 0.200 0.000 0.685 12 A CB 1.737 20.804 19.000 0.112 0.000 1.284 12 A HN 0.064 nan 8.150 nan 0.000 0.408 13 A N 0.938 123.913 122.820 0.259 0.000 2.427 13 A HA 0.740 5.059 4.320 -0.000 0.000 0.298 13 A C -0.928 176.804 177.584 0.247 0.000 1.036 13 A CA -0.411 51.769 52.037 0.238 0.000 0.701 13 A CB 1.033 20.138 19.000 0.175 0.000 1.250 13 A HN 0.737 nan 8.150 nan 0.000 0.412 14 E N 1.709 122.034 120.200 0.208 0.000 2.183 14 E HA 0.553 4.903 4.350 -0.000 0.000 0.271 14 E C -1.148 175.528 176.600 0.127 0.000 0.919 14 E CA -0.476 56.022 56.400 0.164 0.000 0.781 14 E CB 2.351 32.144 29.700 0.155 0.000 1.140 14 E HN 0.586 nan 8.360 nan 0.000 0.402 15 I N 2.822 123.469 120.570 0.129 0.000 2.339 15 I HA 0.279 4.449 4.170 -0.000 0.000 0.290 15 I C -0.789 175.356 176.117 0.047 0.000 0.994 15 I CA -0.911 60.440 61.300 0.085 0.000 1.191 15 I CB 1.380 39.444 38.000 0.106 0.000 1.343 15 I HN 0.183 nan 8.210 nan 0.000 0.458 16 V N 7.322 127.250 119.914 0.023 0.000 2.483 16 V HA 0.364 4.484 4.120 -0.000 0.000 0.297 16 V C -0.187 175.897 176.094 -0.017 0.000 1.027 16 V CA -0.689 61.611 62.300 -0.000 0.000 0.855 16 V CB 2.170 33.990 31.823 -0.005 0.000 0.995 16 V HN 0.373 nan 8.190 nan 0.000 0.424 17 V N 4.284 124.183 119.914 -0.025 0.000 2.370 17 V HA 0.809 4.929 4.120 -0.000 0.000 0.283 17 V C 0.463 176.524 176.094 -0.055 0.000 1.023 17 V CA -0.362 61.918 62.300 -0.035 0.000 0.857 17 V CB 1.428 33.236 31.823 -0.026 0.000 0.985 17 V HN 0.980 nan 8.190 nan 0.000 0.443 18 A N 4.851 127.630 122.820 -0.069 0.000 2.320 18 A HA 0.922 5.242 4.320 -0.000 0.000 0.334 18 A C -0.210 177.331 177.584 -0.072 0.000 1.147 18 A CA -0.850 51.130 52.037 -0.095 0.000 0.820 18 A CB 1.229 20.148 19.000 -0.135 0.000 1.218 18 A HN 0.755 nan 8.150 nan 0.000 0.482 19 R N 1.138 121.601 120.500 -0.062 0.000 2.352 19 R HA 0.493 4.833 4.340 -0.000 0.000 0.304 19 R C -1.769 174.580 176.300 0.082 0.000 1.104 19 R CA -0.322 55.786 56.100 0.014 0.000 0.991 19 R CB 0.585 30.867 30.300 -0.031 0.000 1.140 19 R HN 0.554 nan 8.270 nan 0.000 0.540 20 L N 6.820 128.076 121.223 0.056 0.000 2.257 20 L HA 0.553 4.893 4.340 -0.000 0.000 0.290 20 L C -2.200 174.743 176.870 0.122 0.000 1.044 20 L CA -2.320 52.514 54.840 -0.010 0.000 0.810 20 L CB 1.194 43.032 42.059 -0.368 0.000 1.193 20 L HN 0.530 nan 8.230 nan 0.000 0.425 21 P HA 0.052 nan 4.420 nan 0.000 0.268 21 P C -0.543 176.828 177.300 0.119 0.000 1.204 21 P CA -0.138 62.814 63.100 -0.246 0.000 0.768 21 P CB 0.683 32.294 31.700 -0.148 0.000 0.842 22 L N 2.921 124.187 121.223 0.071 0.000 2.397 22 L HA 0.218 4.558 4.340 -0.000 0.000 0.271 22 L C 1.565 178.485 176.870 0.082 0.000 1.148 22 L CA -0.241 54.709 54.840 0.182 0.000 0.825 22 L CB 0.129 42.239 42.059 0.084 0.000 1.117 22 L HN 0.408 nan 8.230 nan 0.000 0.456 35 H N 0.512 119.643 119.070 0.101 0.000 2.908 35 H HA 0.733 5.288 4.556 -0.000 0.000 0.350 35 H C -1.184 174.229 175.328 0.142 0.000 1.217 35 H CA -0.723 55.399 56.048 0.124 0.000 1.168 35 H CB 2.285 32.093 29.762 0.077 0.000 1.891 35 H HN 0.265 nan 8.280 nan 0.000 0.566 36 K N 0.819 121.389 120.400 0.283 0.000 2.507 36 K HA 0.328 4.648 4.320 -0.000 0.000 0.251 36 K C -1.749 174.922 176.600 0.117 0.000 0.943 36 K CA -0.541 55.874 56.287 0.214 0.000 0.794 36 K CB 1.555 34.261 32.500 0.344 0.000 1.188 36 K HN 0.235 nan 8.250 nan 0.000 0.428 37 V N 4.373 124.332 119.914 0.075 0.000 2.488 37 V HA 0.282 4.402 4.120 -0.000 0.000 0.277 37 V C -0.455 175.638 176.094 -0.003 0.000 1.046 37 V CA -0.643 61.671 62.300 0.023 0.000 0.986 37 V CB 1.250 33.081 31.823 0.014 0.000 0.989 37 V HN 0.582 nan 8.190 nan 0.000 0.475 38 V N 7.690 127.581 119.914 -0.039 0.000 2.304 38 V HA 0.328 4.448 4.120 -0.000 0.000 0.278 38 V C -2.460 173.606 176.094 -0.046 0.000 1.018 38 V CA -1.830 60.436 62.300 -0.057 0.000 0.814 38 V CB 1.441 33.195 31.823 -0.115 0.000 1.021 38 V HN 0.760 nan 8.190 nan 0.000 0.440 39 P HA 0.413 nan 4.420 nan 0.000 0.287 39 P C -0.744 176.543 177.300 -0.023 0.000 1.294 39 P CA -0.076 63.010 63.100 -0.023 0.000 0.776 39 P CB 0.810 32.500 31.700 -0.016 0.000 0.889 40 L N 3.818 125.031 121.223 -0.017 0.000 2.329 40 L HA 0.534 4.873 4.340 -0.000 0.000 0.279 40 L C -0.146 176.726 176.870 0.004 0.000 1.014 40 L CA -1.120 53.714 54.840 -0.011 0.000 0.814 40 L CB 1.724 43.776 42.059 -0.013 0.000 1.257 40 L HN 0.209 nan 8.230 nan 0.000 0.424 41 L N 4.561 125.786 121.223 0.004 0.000 2.313 41 L HA 0.582 4.921 4.340 -0.000 0.000 0.283 41 L C -0.706 176.166 176.870 0.003 0.000 1.013 41 L CA 0.023 54.872 54.840 0.015 0.000 0.816 41 L CB 1.325 43.393 42.059 0.015 0.000 1.236 41 L HN 0.360 nan 8.230 nan 0.000 0.419 42 I N 6.250 126.818 120.570 -0.003 0.000 2.362 42 I HA 0.364 4.534 4.170 -0.000 0.000 0.289 42 I C -0.724 175.313 176.117 -0.133 0.000 0.994 42 I CA -0.504 60.745 61.300 -0.084 0.000 1.158 42 I CB 1.374 39.325 38.000 -0.082 0.000 1.315 42 I HN 0.422 nan 8.210 nan 0.000 0.451 43 L N 5.995 127.112 121.223 -0.175 0.000 2.317 43 L HA 0.512 4.852 4.340 -0.000 0.000 0.281 43 L C -0.416 176.300 176.870 -0.256 0.000 1.024 43 L CA -0.690 54.084 54.840 -0.110 0.000 0.810 43 L CB 1.178 43.234 42.059 -0.005 0.000 1.240 43 L HN 0.521 nan 8.230 nan 0.000 0.427 44 H N 1.951 121.073 119.070 0.086 0.000 2.489 44 H HA 0.715 5.271 4.556 -0.000 0.000 0.343 44 H C -0.178 175.213 175.328 0.106 0.000 1.086 44 H CA -0.575 55.521 56.048 0.079 0.000 1.198 44 H CB 2.301 32.102 29.762 0.066 0.000 1.490 44 H HN 0.770 nan 8.280 nan 0.000 0.504 45 G N 1.378 110.304 108.800 0.210 0.000 2.633 45 G HA2 0.196 4.156 3.960 -0.000 0.000 0.299 45 G HA3 0.196 4.156 3.960 -0.000 0.000 0.299 45 G C -0.816 174.178 174.900 0.158 0.000 1.501 45 G CA -0.859 44.361 45.100 0.198 0.000 0.887 45 G HN 0.450 nan 8.290 nan 0.000 0.561 46 E N -0.389 119.897 120.200 0.143 0.000 2.476 46 E HA -0.262 4.088 4.350 -0.000 0.000 0.251 46 E C 1.475 178.125 176.600 0.083 0.000 1.130 46 E CA 1.995 58.464 56.400 0.115 0.000 0.736 46 E CB -1.580 28.203 29.700 0.139 0.000 1.298 46 E HN 2.585 nan 8.360 nan 0.000 0.400 47 G N -1.991 106.858 108.800 0.082 0.000 2.184 47 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.264 47 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.264 47 G C 0.494 175.432 174.900 0.064 0.000 0.975 47 G CA 1.143 46.282 45.100 0.065 0.000 0.642 47 G HN 1.064 nan 8.290 nan 0.000 0.536 48 V N -2.977 116.978 119.914 0.068 0.000 3.164 48 V HA 0.979 5.099 4.120 -0.000 0.000 0.313 48 V C -0.391 175.732 176.094 0.047 0.000 1.188 48 V CA -0.258 62.067 62.300 0.041 0.000 1.058 48 V CB 1.811 33.632 31.823 -0.003 0.000 1.110 48 V HN 1.093 nan 8.190 nan 0.000 0.453 49 Q N 0.439 120.235 119.800 -0.008 0.000 2.379 49 Q HA 0.795 5.134 4.340 -0.000 0.000 0.278 49 Q C -0.633 175.315 176.000 -0.086 0.000 1.068 49 Q CA -0.614 55.134 55.803 -0.091 0.000 0.816 49 Q CB 2.289 30.931 28.738 -0.159 0.000 1.387 49 Q HN 1.282 nan 8.270 nan 0.000 0.413 50 G N 0.804 109.545 108.800 -0.098 0.000 2.452 50 G HA2 0.603 4.562 3.960 -0.000 0.000 0.324 50 G HA3 0.603 4.562 3.960 -0.000 0.000 0.324 50 G C -1.132 173.756 174.900 -0.021 0.000 1.214 50 G CA -0.717 44.361 45.100 -0.036 0.000 0.947 50 G HN 0.426 nan 8.290 nan 0.000 0.478 51 V N 0.596 120.541 119.914 0.053 0.000 2.588 51 V HA 0.833 4.952 4.120 -0.000 0.000 0.304 51 V C 0.233 176.432 176.094 0.175 0.000 1.042 51 V CA -0.693 61.648 62.300 0.068 0.000 0.877 51 V CB 1.131 32.984 31.823 0.049 0.000 0.996 51 V HN 1.193 nan 8.190 nan 0.000 0.425 52 A N 3.269 126.124 122.820 0.060 0.000 2.430 52 A HA 0.913 5.233 4.320 -0.000 0.000 0.300 52 A C -0.787 176.766 177.584 -0.051 0.000 1.124 52 A CA -0.673 51.331 52.037 -0.056 0.000 0.766 52 A CB 1.897 20.797 19.000 -0.167 0.000 1.328 52 A HN 0.880 nan 8.150 nan 0.000 0.424 53 E N 0.784 120.928 120.200 -0.094 0.000 2.199 53 E HA 0.531 4.880 4.350 -0.000 0.000 0.265 53 E C 0.100 176.660 176.600 -0.068 0.000 0.882 53 E CA -0.676 55.690 56.400 -0.057 0.000 0.759 53 E CB 1.532 31.213 29.700 -0.031 0.000 1.148 53 E HN 0.910 nan 8.360 nan 0.000 0.412 54 G N 1.622 110.396 108.800 -0.044 0.000 2.442 54 G HA2 0.179 4.139 3.960 -0.000 0.000 0.249 54 G HA3 0.179 4.139 3.960 -0.000 0.000 0.249 54 G C 0.634 175.514 174.900 -0.034 0.000 1.263 54 G CA 0.050 45.129 45.100 -0.035 0.000 0.846 54 G HN 0.617 nan 8.290 nan 0.000 0.555 55 T N 0.305 114.838 114.554 -0.034 0.000 3.092 55 T HA 0.210 4.560 4.350 -0.000 0.000 0.258 55 T C 1.098 175.787 174.700 -0.019 0.000 1.031 55 T CA -0.426 61.651 62.100 -0.039 0.000 0.925 55 T CB -0.104 68.724 68.868 -0.067 0.000 1.036 55 T HN 0.526 nan 8.240 nan 0.000 0.544 56 M N 1.336 120.934 119.600 -0.002 0.000 2.241 56 M HA 0.552 5.032 4.480 -0.000 0.000 0.335 56 M C -0.697 175.607 176.300 0.007 0.000 1.122 56 M CA -0.073 55.234 55.300 0.012 0.000 1.164 56 M CB 0.288 32.893 32.600 0.008 0.000 1.459 56 M HN 0.075 nan 8.290 nan 0.000 0.461 57 E N 1.210 121.419 120.200 0.014 0.000 2.243 57 E HA 0.651 5.001 4.350 -0.000 0.000 0.260 57 E C 0.831 177.434 176.600 0.004 0.000 0.985 57 E CA -0.530 55.878 56.400 0.013 0.000 0.858 57 E CB 1.153 30.867 29.700 0.024 0.000 1.210 57 E HN 0.745 nan 8.360 nan 0.000 0.411 58 A N 1.362 124.185 122.820 0.006 0.000 1.940 58 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 58 A C 0.790 178.370 177.584 -0.006 0.000 1.176 58 A CA 1.355 53.392 52.037 -0.001 0.000 0.631 58 A CB -0.171 18.831 19.000 0.003 0.000 0.814 58 A HN 0.432 nan 8.150 nan 0.000 0.446 59 R N -0.834 119.663 120.500 -0.005 0.000 2.803 59 R HA 0.415 4.755 4.340 -0.000 0.000 0.276 59 R C -2.963 173.322 176.300 -0.025 0.000 0.978 59 R CA -2.245 53.847 56.100 -0.014 0.000 0.939 59 R CB 1.372 31.666 30.300 -0.010 0.000 1.179 59 R HN 0.021 nan 8.270 nan 0.000 0.472 60 P HA 0.143 nan 4.420 nan 0.000 0.256 60 P C -0.465 176.764 177.300 -0.118 0.000 1.689 60 P CA 0.196 63.243 63.100 -0.088 0.000 1.124 60 P CB 0.529 32.165 31.700 -0.107 0.000 1.766 61 M N 1.295 120.847 119.600 -0.080 0.000 2.925 61 M HA 0.062 4.541 4.480 -0.000 0.000 0.249 61 M C 1.811 178.060 176.300 -0.085 0.000 1.439 61 M CA 0.643 55.902 55.300 -0.068 0.000 1.217 61 M CB -0.178 32.420 32.600 -0.004 0.000 1.245 61 M HN 0.100 nan 8.290 nan 0.000 0.552 62 Y N 1.055 121.273 120.300 -0.137 0.000 2.243 62 Y HA 0.139 4.689 4.550 -0.000 0.000 0.293 62 Y C 1.446 177.188 175.900 -0.263 0.000 1.124 62 Y CA 1.242 59.258 58.100 -0.141 0.000 1.159 62 Y CB 0.480 38.896 38.460 -0.074 0.000 1.008 62 Y HN -0.030 nan 8.280 nan 0.000 0.527 63 R N -0.867 119.389 120.500 -0.407 0.000 3.278 63 R HA 0.100 4.440 4.340 -0.000 0.000 0.256 63 R C 1.049 177.092 176.300 -0.428 0.000 1.230 63 R CA 0.142 55.853 56.100 -0.648 0.000 1.006 63 R CB 0.572 30.597 30.300 -0.460 0.000 1.440 63 R HN 0.137 nan 8.270 nan 0.000 0.449 64 E N 0.879 120.871 120.200 -0.347 0.000 2.400 64 E HA 0.035 4.385 4.350 -0.000 0.000 0.195 64 E C -0.613 175.936 176.600 -0.085 0.000 1.012 64 E CA 0.740 57.019 56.400 -0.202 0.000 0.875 64 E CB 0.322 29.968 29.700 -0.089 0.000 0.859 64 E HN 0.430 nan 8.360 nan 0.000 0.498 65 E N 1.321 121.490 120.200 -0.052 0.000 2.373 65 E HA 0.245 4.595 4.350 -0.000 0.000 0.263 65 E C -0.199 176.387 176.600 -0.023 0.000 1.073 65 E CA 0.139 56.527 56.400 -0.020 0.000 0.894 65 E CB 1.083 30.786 29.700 0.005 0.000 1.008 65 E HN 0.276 nan 8.360 nan 0.000 0.420 66 T N -1.818 112.723 114.554 -0.022 0.000 2.906 66 T HA 0.388 4.738 4.350 -0.000 0.000 0.295 66 T C 1.044 175.732 174.700 -0.020 0.000 1.075 66 T CA -0.787 61.301 62.100 -0.020 0.000 1.005 66 T CB 0.728 69.581 68.868 -0.024 0.000 1.136 66 T HN 0.384 nan 8.240 nan 0.000 0.498 67 I N 1.074 121.634 120.570 -0.017 0.000 2.226 67 I HA -0.118 4.052 4.170 -0.000 0.000 0.245 67 I C 3.015 179.116 176.117 -0.027 0.000 1.100 67 I CA 1.671 62.960 61.300 -0.019 0.000 1.374 67 I CB -0.736 37.256 38.000 -0.014 0.000 1.057 67 I HN 0.894 nan 8.210 nan 0.000 0.413 68 A N 1.096 123.900 122.820 -0.028 0.000 1.883 68 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 68 A C 2.458 180.013 177.584 -0.047 0.000 1.186 68 A CA 2.062 54.080 52.037 -0.033 0.000 0.624 68 A CB -1.489 17.494 19.000 -0.028 0.000 0.822 68 A HN 0.457 nan 8.150 nan 0.000 0.444 69 G N -0.690 108.081 108.800 -0.049 0.000 2.421 69 G HA2 0.002 3.962 3.960 -0.000 0.000 0.216 69 G HA3 0.002 3.962 3.960 -0.000 0.000 0.216 69 G C 1.754 176.599 174.900 -0.092 0.000 1.171 69 G CA 1.559 46.620 45.100 -0.066 0.000 0.775 69 G HN 0.835 nan 8.290 nan 0.000 0.543 70 A N 0.351 123.129 122.820 -0.070 0.000 1.930 70 A HA 0.184 4.504 4.320 -0.000 0.000 0.217 70 A C 2.432 179.959 177.584 -0.095 0.000 1.175 70 A CA 1.101 53.091 52.037 -0.078 0.000 0.627 70 A CB -0.319 18.661 19.000 -0.033 0.000 0.815 70 A HN 0.346 nan 8.150 nan 0.000 0.443 71 L N -0.753 120.428 121.223 -0.070 0.000 2.109 71 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 71 L C 2.355 179.167 176.870 -0.097 0.000 1.086 71 L CA 1.733 56.535 54.840 -0.063 0.000 0.760 71 L CB -0.636 41.405 42.059 -0.031 0.000 0.910 71 L HN 0.498 nan 8.230 nan 0.000 0.437 72 D N 0.415 120.752 120.400 -0.105 0.000 2.117 72 D HA -0.241 4.398 4.640 -0.000 0.000 0.197 72 D C 2.126 178.299 176.300 -0.212 0.000 0.987 72 D CA 0.953 54.877 54.000 -0.127 0.000 0.829 72 D CB 0.107 40.844 40.800 -0.106 0.000 0.961 72 D HN 0.082 nan 8.370 nan 0.000 0.460 73 L N 0.224 121.277 121.223 -0.283 0.000 2.046 73 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 73 L C 2.094 178.626 176.870 -0.562 0.000 1.077 73 L CA 1.430 55.965 54.840 -0.508 0.000 0.747 73 L CB -0.610 41.090 42.059 -0.598 0.000 0.896 73 L HN 0.242 nan 8.230 nan 0.000 0.432 74 L N -0.322 120.703 121.223 -0.331 0.000 1.970 74 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 74 L C 2.881 179.630 176.870 -0.203 0.000 1.071 74 L CA 2.114 56.850 54.840 -0.172 0.000 0.751 74 L CB -0.574 41.443 42.059 -0.070 0.000 0.889 74 L HN 0.412 nan 8.230 nan 0.000 0.432 75 R N -0.249 120.111 120.500 -0.234 0.000 2.115 75 R HA -0.045 4.294 4.340 -0.000 0.000 0.226 75 R C 1.959 178.126 176.300 -0.222 0.000 1.100 75 R CA 1.336 57.240 56.100 -0.327 0.000 0.980 75 R CB -0.686 29.465 30.300 -0.248 0.000 0.875 75 R HN 0.285 nan 8.270 nan 0.000 0.445 76 G N -0.726 107.959 108.800 -0.192 0.000 2.744 76 G HA2 0.013 3.973 3.960 -0.000 0.000 0.211 76 G HA3 0.013 3.973 3.960 -0.000 0.000 0.211 76 G C 0.737 175.541 174.900 -0.160 0.000 1.146 76 G CA 0.685 45.694 45.100 -0.152 0.000 0.787 76 G HN 0.357 nan 8.290 nan 0.000 0.534 77 T N -0.517 113.903 114.554 -0.224 0.000 3.388 77 T HA 0.186 4.536 4.350 -0.000 0.000 0.254 77 T C 1.659 176.373 174.700 0.023 0.000 1.002 77 T CA -0.232 61.745 62.100 -0.206 0.000 1.164 77 T CB -0.063 68.476 68.868 -0.548 0.000 1.184 77 T HN -0.029 nan 8.240 nan 0.000 0.399 78 F N 2.169 122.037 119.950 -0.136 0.000 2.113 78 F HA 0.222 4.749 4.527 -0.001 0.000 0.297 78 F C 2.213 177.979 175.800 -0.058 0.000 1.103 78 F CA 0.384 58.334 58.000 -0.083 0.000 1.248 78 F CB -1.265 37.684 39.000 -0.086 0.000 0.999 78 F HN 0.070 nan 8.300 nan 0.000 0.475 79 L N -0.375 120.909 121.223 0.102 0.000 2.046 79 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 79 L C -0.354 176.544 176.870 0.047 0.000 1.077 79 L CA 1.323 56.182 54.840 0.031 0.000 0.747 79 L CB -2.036 39.967 42.059 -0.092 0.000 0.896 79 L HN 0.060 nan 8.230 nan 0.000 0.432 80 P HA -0.149 nan 4.420 nan 0.000 0.220 80 P C 1.305 178.656 177.300 0.085 0.000 1.148 80 P CA 1.509 64.639 63.100 0.050 0.000 0.803 80 P CB 0.018 31.736 31.700 0.029 0.000 0.782 81 A N -0.648 122.241 122.820 0.114 0.000 2.119 81 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 81 A C 1.930 179.616 177.584 0.170 0.000 1.153 81 A CA 1.227 53.346 52.037 0.137 0.000 0.692 81 A CB -1.192 17.908 19.000 0.167 0.000 0.799 81 A HN 0.377 nan 8.150 nan 0.000 0.458 82 I N -4.783 115.889 120.570 0.171 0.000 4.312 82 I HA 0.356 4.526 4.170 -0.000 0.000 0.324 82 I C 0.113 176.383 176.117 0.257 0.000 1.298 82 I CA -0.336 61.133 61.300 0.281 0.000 1.231 82 I CB 0.058 38.134 38.000 0.126 0.000 1.152 82 I HN -0.089 nan 8.210 nan 0.000 0.421 83 L N 3.626 124.943 121.223 0.157 0.000 2.455 83 L HA 0.312 4.651 4.340 -0.000 0.000 0.272 83 L C 1.401 178.328 176.870 0.095 0.000 1.174 83 L CA 1.106 56.025 54.840 0.132 0.000 0.869 83 L CB 0.603 42.728 42.059 0.110 0.000 1.130 83 L HN 0.612 nan 8.230 nan 0.000 0.474 84 G N 1.672 110.523 108.800 0.085 0.000 2.184 84 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.264 84 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.264 84 G C 0.292 175.174 174.900 -0.030 0.000 0.975 84 G CA -0.274 44.845 45.100 0.033 0.000 0.642 84 G HN 0.523 nan 8.290 nan 0.000 0.536 85 Q N 0.314 120.085 119.800 -0.048 0.000 2.221 85 Q HA 0.633 4.972 4.340 -0.000 0.000 0.242 85 Q C -0.141 175.548 176.000 -0.519 0.000 0.940 85 Q CA 0.062 55.680 55.803 -0.309 0.000 0.896 85 Q CB 1.446 29.943 28.738 -0.402 0.000 1.226 85 Q HN 0.216 nan 8.270 nan 0.000 0.463 86 T N 1.892 115.993 114.554 -0.756 0.000 2.807 86 T HA 0.682 5.032 4.350 -0.000 0.000 0.279 86 T C -0.802 173.303 174.700 -0.993 0.000 0.993 86 T CA -0.290 61.421 62.100 -0.649 0.000 0.970 86 T CB 0.296 68.965 68.868 -0.332 0.000 0.950 86 T HN 0.248 nan 8.240 nan 0.000 0.441 87 F N 0.310 119.876 119.950 -0.639 0.000 2.576 87 F HA 0.595 5.121 4.527 -0.001 0.000 0.313 87 F C 1.034 176.350 175.800 -0.807 0.000 1.078 87 F CA -1.241 56.301 58.000 -0.764 0.000 0.921 87 F CB 1.595 40.006 39.000 -0.981 0.000 1.232 87 F HN 0.639 nan 8.300 nan 0.000 0.459 88 A N 2.101 124.720 122.820 -0.335 0.000 1.970 88 A HA 0.115 4.435 4.320 -0.000 0.000 0.216 88 A C 0.316 177.579 177.584 -0.535 0.000 1.170 88 A CA 1.177 53.028 52.037 -0.310 0.000 0.645 88 A CB -0.566 18.315 19.000 -0.197 0.000 0.816 88 A HN 0.864 nan 8.150 nan 0.000 0.447 89 N N -3.569 114.821 118.700 -0.516 0.000 3.116 89 N HA 0.218 4.958 4.740 -0.000 0.000 0.244 89 N C -3.039 172.152 175.510 -0.532 0.000 1.485 89 N CA -1.424 51.154 53.050 -0.788 0.000 0.884 89 N CB 0.776 38.791 38.487 -0.787 0.000 1.415 89 N HN -0.302 nan 8.380 nan 0.000 0.524 90 P HA -0.070 nan 4.420 nan 0.000 0.218 90 P C 0.621 177.647 177.300 -0.456 0.000 1.149 90 P CA 1.345 64.010 63.100 -0.726 0.000 0.817 90 P CB 0.170 30.914 31.700 -1.592 0.000 0.785 91 E N -0.207 119.781 120.200 -0.352 0.000 2.110 91 E HA -0.144 4.205 4.350 -0.000 0.000 0.193 91 E C 2.127 178.627 176.600 -0.167 0.000 0.988 91 E CA 1.552 57.855 56.400 -0.161 0.000 0.804 91 E CB -0.997 28.657 29.700 -0.076 0.000 0.745 91 E HN 0.166 nan 8.360 nan 0.000 0.458 92 A N 0.337 123.039 122.820 -0.198 0.000 1.929 92 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 92 A C 2.417 179.880 177.584 -0.203 0.000 1.176 92 A CA 1.046 53.019 52.037 -0.107 0.000 0.628 92 A CB -0.545 18.440 19.000 -0.024 0.000 0.816 92 A HN 0.138 nan 8.150 nan 0.000 0.444 93 V N 0.263 119.850 119.914 -0.545 0.000 2.255 93 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 93 V C 2.796 178.625 176.094 -0.442 0.000 1.051 93 V CA 2.472 64.254 62.300 -0.863 0.000 1.018 93 V CB -1.049 30.312 31.823 -0.770 0.000 0.641 93 V HN 0.572 nan 8.190 nan 0.000 0.445 94 S N -0.075 115.445 115.700 -0.301 0.000 2.370 94 S HA -0.291 4.179 4.470 -0.000 0.000 0.226 94 S C 1.821 176.323 174.600 -0.163 0.000 1.033 94 S CA 1.886 59.956 58.200 -0.216 0.000 1.011 94 S CB -0.546 62.576 63.200 -0.130 0.000 0.852 94 S HN 0.790 nan 8.310 nan 0.000 0.457 95 D N 1.685 122.015 120.400 -0.118 0.000 2.123 95 D HA -0.087 4.553 4.640 -0.000 0.000 0.196 95 D C 1.850 178.127 176.300 -0.038 0.000 0.992 95 D CA 1.287 55.251 54.000 -0.060 0.000 0.833 95 D CB -0.316 40.463 40.800 -0.036 0.000 0.954 95 D HN 0.355 nan 8.370 nan 0.000 0.455 96 A N -0.171 122.634 122.820 -0.027 0.000 2.121 96 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 96 A C 2.232 179.830 177.584 0.023 0.000 1.154 96 A CA 0.529 52.594 52.037 0.047 0.000 0.679 96 A CB -0.628 18.491 19.000 0.199 0.000 0.795 96 A HN 0.400 nan 8.150 nan 0.000 0.458 97 L N -1.290 119.891 121.223 -0.070 0.000 2.291 97 L HA 0.144 4.484 4.340 -0.000 0.000 0.214 97 L C 1.454 178.427 176.870 0.171 0.000 1.120 97 L CA 0.568 55.362 54.840 -0.077 0.000 0.799 97 L CB -1.060 40.698 42.059 -0.501 0.000 0.925 97 L HN 0.628 nan 8.230 nan 0.000 0.446 98 G N -0.153 108.693 108.800 0.078 0.000 2.710 98 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.668 98 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.668 98 G C 0.180 175.062 174.900 -0.029 0.000 1.320 98 G CA -0.173 44.940 45.100 0.021 0.000 0.860 98 G HN 0.243 nan 8.290 nan 0.000 0.538 99 S N -0.612 114.971 115.700 -0.194 0.000 2.582 99 S HA 0.474 4.944 4.470 -0.000 0.000 0.249 99 S C 0.449 174.970 174.600 -0.132 0.000 1.072 99 S CA -0.267 57.859 58.200 -0.122 0.000 1.115 99 S CB -0.327 62.809 63.200 -0.107 0.000 0.790 99 S HN 0.733 nan 8.310 nan 0.000 0.459 100 Y N 2.304 122.664 120.300 0.100 0.000 2.683 100 Y HA 0.169 4.719 4.550 -0.000 0.000 0.340 100 Y C 1.385 177.344 175.900 0.098 0.000 1.245 100 Y CA -0.278 57.889 58.100 0.112 0.000 1.485 100 Y CB 0.491 39.060 38.460 0.182 0.000 1.328 100 Y HN 0.179 nan 8.280 nan 0.000 0.603 101 R N 1.705 122.340 120.500 0.225 0.000 2.404 101 R HA 0.434 4.773 4.340 -0.000 0.000 0.291 101 R C 0.790 177.174 176.300 0.140 0.000 1.025 101 R CA 0.149 56.334 56.100 0.140 0.000 0.991 101 R CB 0.964 31.320 30.300 0.094 0.000 1.053 101 R HN 0.982 nan 8.270 nan 0.000 0.479 102 G N 2.347 111.215 108.800 0.114 0.000 2.566 102 G HA2 -0.428 3.532 3.960 -0.000 0.000 0.280 102 G HA3 -0.428 3.532 3.960 -0.000 0.000 0.280 102 G C -0.261 174.712 174.900 0.123 0.000 1.225 102 G CA 0.329 45.491 45.100 0.104 0.000 0.966 102 G HN 0.880 nan 8.290 nan 0.000 0.560 103 N N -0.756 118.004 118.700 0.101 0.000 2.740 103 N HA -0.189 4.551 4.740 -0.000 0.000 0.248 103 N C 1.397 176.986 175.510 0.133 0.000 1.062 103 N CA 1.165 54.277 53.050 0.104 0.000 0.704 103 N CB -0.261 38.286 38.487 0.100 0.000 0.968 103 N HN 0.641 nan 8.380 nan 0.000 0.547 104 R N -0.004 120.556 120.500 0.100 0.000 2.092 104 R HA -0.008 4.332 4.340 -0.000 0.000 0.231 104 R C 1.730 178.070 176.300 0.066 0.000 1.119 104 R CA 1.438 57.587 56.100 0.081 0.000 0.970 104 R CB -0.187 30.152 30.300 0.064 0.000 0.864 104 R HN 0.543 nan 8.270 nan 0.000 0.440 105 M N -0.094 119.542 119.600 0.061 0.000 2.229 105 M HA -0.041 4.438 4.480 -0.000 0.000 0.264 105 M C 2.459 178.790 176.300 0.050 0.000 1.063 105 M CA 1.464 56.787 55.300 0.038 0.000 1.114 105 M CB -0.313 32.307 32.600 0.033 0.000 1.387 105 M HN 0.127 nan 8.290 nan 0.000 0.420 106 A N 0.959 123.834 122.820 0.092 0.000 1.873 106 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 106 A C 2.177 179.906 177.584 0.242 0.000 1.186 106 A CA 1.426 53.550 52.037 0.145 0.000 0.616 106 A CB -0.564 18.511 19.000 0.124 0.000 0.823 106 A HN 0.414 nan 8.150 nan 0.000 0.442 107 R N -0.373 120.278 120.500 0.253 0.000 2.091 107 R HA -0.117 4.222 4.340 -0.000 0.000 0.238 107 R C 2.448 178.732 176.300 -0.026 0.000 1.136 107 R CA 1.240 57.356 56.100 0.027 0.000 0.959 107 R CB -0.562 29.716 30.300 -0.037 0.000 0.856 107 R HN 0.508 nan 8.270 nan 0.000 0.437 108 A N 1.250 124.071 122.820 0.003 0.000 1.940 108 A HA -0.204 4.115 4.320 -0.000 0.000 0.219 108 A C 2.197 179.755 177.584 -0.043 0.000 1.176 108 A CA 1.546 53.564 52.037 -0.031 0.000 0.631 108 A CB -0.480 18.490 19.000 -0.051 0.000 0.814 108 A HN 0.219 nan 8.150 nan 0.000 0.446 109 M N -0.903 118.686 119.600 -0.019 0.000 2.108 109 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 109 M C 2.120 178.411 176.300 -0.015 0.000 1.066 109 M CA 1.621 56.906 55.300 -0.025 0.000 1.107 109 M CB -0.488 32.117 32.600 0.008 0.000 1.356 109 M HN 0.286 nan 8.290 nan 0.000 0.406 110 V N -0.090 119.819 119.914 -0.008 0.000 2.270 110 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 110 V C 2.418 178.482 176.094 -0.049 0.000 1.043 110 V CA 1.803 64.081 62.300 -0.037 0.000 1.014 110 V CB -0.747 31.022 31.823 -0.090 0.000 0.645 110 V HN 0.476 nan 8.190 nan 0.000 0.447 111 E N -0.003 120.170 120.200 -0.046 0.000 2.077 111 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 111 E C 2.174 178.881 176.600 0.178 0.000 0.989 111 E CA 1.707 58.114 56.400 0.012 0.000 0.800 111 E CB -0.107 29.618 29.700 0.042 0.000 0.746 111 E HN 0.572 nan 8.360 nan 0.000 0.452 112 M N -0.293 119.400 119.600 0.155 0.000 2.288 112 M HA -0.027 4.452 4.480 -0.000 0.000 0.266 112 M C 2.398 178.867 176.300 0.281 0.000 1.072 112 M CA 1.143 56.601 55.300 0.263 0.000 1.132 112 M CB -0.100 32.410 32.600 -0.150 0.000 1.386 112 M HN 0.068 nan 8.290 nan 0.000 0.432 113 A N 0.698 123.586 122.820 0.114 0.000 1.933 113 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 113 A C 2.385 180.021 177.584 0.086 0.000 1.175 113 A CA 1.909 54.010 52.037 0.106 0.000 0.628 113 A CB -0.872 18.149 19.000 0.035 0.000 0.814 113 A HN 0.475 nan 8.150 nan 0.000 0.444 114 A N -1.492 121.353 122.820 0.041 0.000 1.933 114 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 114 A C 1.966 179.507 177.584 -0.072 0.000 1.175 114 A CA 1.265 53.271 52.037 -0.052 0.000 0.628 114 A CB -0.888 18.038 19.000 -0.122 0.000 0.814 114 A HN 0.739 nan 8.150 nan 0.000 0.444 115 W N 0.046 121.403 121.300 0.095 0.000 2.318 115 W HA -0.210 4.449 4.660 -0.001 0.000 0.313 115 W C 2.102 178.649 176.519 0.048 0.000 1.221 115 W CA 1.495 58.919 57.345 0.131 0.000 1.266 115 W CB -0.240 29.327 29.460 0.178 0.000 1.150 115 W HN 0.448 nan 8.180 nan 0.000 0.496 116 D N -0.043 120.521 120.400 0.273 0.000 2.104 116 D HA -0.204 4.436 4.640 -0.000 0.000 0.194 116 D C 2.003 178.293 176.300 -0.016 0.000 0.994 116 D CA 1.461 55.506 54.000 0.074 0.000 0.830 116 D CB -0.480 40.376 40.800 0.094 0.000 0.959 116 D HN 0.006 nan 8.370 nan 0.000 0.452 117 L N 0.410 121.608 121.223 -0.042 0.000 1.994 117 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 117 L C 2.245 178.983 176.870 -0.221 0.000 1.071 117 L CA 1.866 56.626 54.840 -0.134 0.000 0.745 117 L CB -0.991 40.974 42.059 -0.157 0.000 0.892 117 L HN 0.387 nan 8.230 nan 0.000 0.431 118 W N 0.426 121.374 121.300 -0.587 0.000 2.317 118 W HA -0.340 4.320 4.660 -0.000 0.000 0.318 118 W C 2.117 178.480 176.519 -0.260 0.000 1.227 118 W CA 1.834 58.797 57.345 -0.638 0.000 1.269 118 W CB -0.255 28.823 29.460 -0.636 0.000 1.155 118 W HN 0.368 nan 8.180 nan 0.000 0.484 119 A N 1.098 123.758 122.820 -0.266 0.000 1.933 119 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 119 A C 1.989 179.402 177.584 -0.286 0.000 1.175 119 A CA 1.841 53.678 52.037 -0.334 0.000 0.628 119 A CB -0.844 18.075 19.000 -0.134 0.000 0.814 119 A HN 0.452 nan 8.150 nan 0.000 0.444 120 R N -0.666 119.713 120.500 -0.202 0.000 2.153 120 R HA -0.058 4.282 4.340 -0.000 0.000 0.218 120 R C 2.340 178.549 176.300 -0.152 0.000 1.072 120 R CA 1.515 57.524 56.100 -0.152 0.000 0.990 120 R CB -0.522 29.715 30.300 -0.104 0.000 0.889 120 R HN 0.751 nan 8.270 nan 0.000 0.452 121 T N -1.064 113.379 114.554 -0.184 0.000 2.962 121 T HA -0.029 4.321 4.350 -0.000 0.000 0.270 121 T C 1.727 176.316 174.700 -0.186 0.000 1.088 121 T CA 0.890 62.910 62.100 -0.134 0.000 1.127 121 T CB -0.059 68.774 68.868 -0.059 0.000 0.883 121 T HN 0.149 nan 8.240 nan 0.000 0.493 122 L N 0.033 121.064 121.223 -0.320 0.000 2.513 122 L HA 0.425 4.764 4.340 -0.000 0.000 0.222 122 L C 2.010 178.763 176.870 -0.196 0.000 1.096 122 L CA 0.318 54.974 54.840 -0.305 0.000 0.857 122 L CB -0.455 41.303 42.059 -0.501 0.000 1.026 122 L HN 0.518 nan 8.230 nan 0.000 0.469 123 G N 1.172 109.867 108.800 -0.174 0.000 2.160 123 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.244 123 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.244 123 G C -0.104 174.728 174.900 -0.113 0.000 1.022 123 G CA 0.117 45.146 45.100 -0.118 0.000 0.741 123 G HN 0.118 nan 8.290 nan 0.000 0.508 124 V N 0.419 120.244 119.914 -0.148 0.000 2.628 124 V HA 0.552 4.672 4.120 -0.000 0.000 0.306 124 V C -1.871 174.163 176.094 -0.101 0.000 1.045 124 V CA -2.005 60.226 62.300 -0.116 0.000 0.905 124 V CB 2.193 33.935 31.823 -0.134 0.000 0.997 124 V HN 0.075 nan 8.190 nan 0.000 0.436 125 P HA 0.021 nan 4.420 nan 0.000 0.265 125 P C 0.632 177.908 177.300 -0.041 0.000 1.193 125 P CA -0.046 63.049 63.100 -0.008 0.000 0.765 125 P CB 0.577 32.321 31.700 0.073 0.000 0.823 126 L N 5.837 126.960 121.223 -0.166 0.000 2.013 126 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 126 L C 2.109 178.917 176.870 -0.103 0.000 1.073 126 L CA 2.109 56.820 54.840 -0.215 0.000 0.753 126 L CB -1.471 40.277 42.059 -0.519 0.000 0.890 126 L HN 0.563 nan 8.230 nan 0.000 0.432 127 C N -2.713 116.677 119.300 0.150 0.000 2.396 127 C HA -0.193 4.267 4.460 -0.000 0.000 0.277 127 C C 2.490 177.461 174.990 -0.032 0.000 1.231 127 C CA 1.218 60.246 59.018 0.017 0.000 1.775 127 C CB -2.213 25.514 27.740 -0.022 0.000 2.036 127 C HN 0.632 nan 8.230 nan 0.000 0.484 128 T N 1.951 116.506 114.554 0.003 0.000 2.737 128 T HA -0.040 4.310 4.350 -0.000 0.000 0.265 128 T C 1.763 176.471 174.700 0.013 0.000 1.038 128 T CA 1.800 63.907 62.100 0.011 0.000 1.144 128 T CB -0.352 68.521 68.868 0.009 0.000 0.866 128 T HN 0.602 nan 8.240 nan 0.000 0.434 129 L N 0.520 121.749 121.223 0.010 0.000 2.201 129 L HA 0.050 4.389 4.340 -0.000 0.000 0.212 129 L C 2.207 179.093 176.870 0.027 0.000 1.105 129 L CA 0.820 55.711 54.840 0.085 0.000 0.775 129 L CB -0.535 41.651 42.059 0.211 0.000 0.913 129 L HN 0.260 nan 8.230 nan 0.000 0.440 130 L N -0.592 120.551 121.223 -0.134 0.000 2.395 130 L HA 0.071 4.410 4.340 -0.000 0.000 0.218 130 L C 1.500 178.316 176.870 -0.091 0.000 1.130 130 L CA 0.789 55.502 54.840 -0.213 0.000 0.826 130 L CB -0.412 41.436 42.059 -0.351 0.000 0.941 130 L HN 0.501 nan 8.230 nan 0.000 0.451 131 G N -0.417 108.367 108.800 -0.027 0.000 2.168 131 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.197 131 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.197 131 G C 0.403 175.331 174.900 0.047 0.000 0.997 131 G CA -0.382 44.737 45.100 0.032 0.000 0.658 131 G HN 0.476 nan 8.290 nan 0.000 0.513 132 G N -0.186 108.605 108.800 -0.015 0.000 2.395 132 G HA2 0.640 4.600 3.960 -0.000 0.000 0.283 132 G HA3 0.640 4.600 3.960 -0.000 0.000 0.283 132 G C -0.096 174.810 174.900 0.009 0.000 1.178 132 G CA -0.008 45.049 45.100 -0.072 0.000 0.837 132 G HN 1.230 nan 8.290 nan 0.000 0.518 133 H N -1.182 117.878 119.070 -0.017 0.000 2.779 133 H HA 0.467 5.022 4.556 -0.000 0.000 0.230 133 H C -0.084 175.233 175.328 -0.019 0.000 1.365 133 H CA -0.707 55.331 56.048 -0.017 0.000 1.086 133 H CB 0.153 29.913 29.762 -0.003 0.000 2.038 133 H HN 0.262 nan 8.280 nan 0.000 0.558 134 K N 0.540 120.888 120.400 -0.088 0.000 2.156 134 K HA 0.267 4.587 4.320 -0.000 0.000 0.250 134 K C 0.106 176.668 176.600 -0.062 0.000 0.955 134 K CA -0.682 55.564 56.287 -0.069 0.000 0.855 134 K CB 2.102 34.544 32.500 -0.097 0.000 1.101 134 K HN 0.396 nan 8.250 nan 0.000 0.434 135 E N 0.855 121.029 120.200 -0.043 0.000 2.415 135 E HA -0.053 4.296 4.350 -0.000 0.000 0.197 135 E C -0.113 176.450 176.600 -0.062 0.000 1.007 135 E CA 0.312 56.682 56.400 -0.050 0.000 0.890 135 E CB 0.636 30.322 29.700 -0.025 0.000 0.891 135 E HN 0.467 nan 8.360 nan 0.000 0.496 136 Q N 0.087 119.854 119.800 -0.054 0.000 2.462 136 Q HA 0.535 4.875 4.340 -0.000 0.000 0.285 136 Q C -0.879 175.096 176.000 -0.043 0.000 1.035 136 Q CA -1.025 54.748 55.803 -0.050 0.000 0.799 136 Q CB 2.180 30.900 28.738 -0.030 0.000 1.452 136 Q HN -0.032 nan 8.270 nan 0.000 0.404 137 V N -2.335 117.559 119.914 -0.034 0.000 2.735 137 V HA 0.566 4.686 4.120 -0.000 0.000 0.310 137 V C -0.521 175.587 176.094 0.023 0.000 1.061 137 V CA -0.904 61.388 62.300 -0.014 0.000 0.913 137 V CB 1.806 33.602 31.823 -0.045 0.000 1.005 137 V HN 0.870 nan 8.190 nan 0.000 0.428 138 E N 2.116 122.345 120.200 0.049 0.000 2.354 138 E HA 0.521 4.871 4.350 -0.000 0.000 0.269 138 E C -0.423 176.234 176.600 0.096 0.000 1.036 138 E CA -0.318 56.120 56.400 0.064 0.000 0.876 138 E CB 1.898 31.637 29.700 0.065 0.000 1.009 138 E HN 0.957 nan 8.360 nan 0.000 0.416 139 V N -0.577 119.407 119.914 0.116 0.000 2.876 139 V HA 0.870 4.989 4.120 -0.000 0.000 0.312 139 V C 0.044 176.258 176.094 0.199 0.000 1.085 139 V CA -0.645 61.752 62.300 0.162 0.000 0.945 139 V CB 1.727 33.673 31.823 0.205 0.000 1.017 139 V HN 0.700 nan 8.190 nan 0.000 0.428 140 G N 0.840 109.695 108.800 0.091 0.000 3.075 140 G HA2 0.780 4.740 3.960 -0.000 0.000 0.253 140 G HA3 0.780 4.740 3.960 -0.000 0.000 0.253 140 G C -1.137 173.622 174.900 -0.234 0.000 1.353 140 G CA -0.588 44.507 45.100 -0.008 0.000 1.051 140 G HN 1.477 nan 8.290 nan 0.000 0.553 141 V N -1.092 118.599 119.914 -0.373 0.000 3.049 141 V HA 0.741 4.861 4.120 -0.000 0.000 0.309 141 V C -0.866 175.009 176.094 -0.365 0.000 1.148 141 V CA -0.670 61.312 62.300 -0.530 0.000 0.990 141 V CB 2.290 33.511 31.823 -1.004 0.000 1.039 141 V HN 0.865 nan 8.190 nan 0.000 0.430 142 S N 5.565 121.090 115.700 -0.292 0.000 2.498 142 S HA 0.765 5.235 4.470 -0.000 0.000 0.317 142 S C -1.065 173.415 174.600 -0.200 0.000 1.090 142 S CA -0.557 57.536 58.200 -0.178 0.000 1.089 142 S CB 0.439 63.610 63.200 -0.049 0.000 0.997 142 S HN 0.593 nan 8.310 nan 0.000 0.470 143 L N 4.035 125.154 121.223 -0.172 0.000 2.346 143 L HA 0.664 5.004 4.340 -0.000 0.000 0.274 143 L C 1.223 178.069 176.870 -0.040 0.000 1.007 143 L CA -1.139 53.619 54.840 -0.137 0.000 0.818 143 L CB 1.495 43.460 42.059 -0.157 0.000 1.284 143 L HN 0.733 nan 8.230 nan 0.000 0.424 144 G N 2.144 110.935 108.800 -0.015 0.000 2.583 144 G HA2 0.324 4.284 3.960 -0.000 0.000 0.275 144 G HA3 0.324 4.284 3.960 -0.000 0.000 0.275 144 G C 0.072 175.012 174.900 0.066 0.000 1.342 144 G CA -0.708 44.409 45.100 0.028 0.000 1.030 144 G HN 0.447 nan 8.290 nan 0.000 0.520 145 I N 0.773 121.394 120.570 0.085 0.000 2.496 145 I HA 0.109 4.278 4.170 -0.000 0.000 0.285 145 I C -0.011 176.149 176.117 0.072 0.000 1.080 145 I CA -0.267 61.112 61.300 0.131 0.000 1.404 145 I CB 1.153 39.222 38.000 0.115 0.000 1.403 145 I HN 0.293 nan 8.210 nan 0.000 0.539 146 Q N 3.838 123.719 119.800 0.135 0.000 2.204 146 Q HA 0.403 4.743 4.340 -0.000 0.000 0.254 146 Q C 0.794 176.750 176.000 -0.072 0.000 0.981 146 Q CA -0.531 55.313 55.803 0.068 0.000 0.897 146 Q CB 1.566 30.387 28.738 0.138 0.000 1.273 146 Q HN 0.763 nan 8.270 nan 0.000 0.464 147 A N 1.135 123.903 122.820 -0.087 0.000 1.978 147 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 147 A C 0.139 177.561 177.584 -0.270 0.000 1.170 147 A CA 2.246 54.175 52.037 -0.179 0.000 0.636 147 A CB -0.254 18.689 19.000 -0.095 0.000 0.810 147 A HN 0.807 nan 8.150 nan 0.000 0.448 148 D N -4.695 115.665 120.400 -0.068 0.000 2.738 148 D HA 0.139 4.779 4.640 -0.000 0.000 0.308 148 D C 0.122 176.674 176.300 0.420 0.000 1.311 148 D CA -0.214 53.848 54.000 0.103 0.000 0.799 148 D CB -0.322 40.508 40.800 0.050 0.000 1.332 148 D HN -0.002 nan 8.370 nan 0.000 0.441 149 E N -0.849 119.630 120.200 0.465 0.000 2.085 149 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 149 E C 1.365 178.057 176.600 0.153 0.000 0.994 149 E CA 1.481 58.037 56.400 0.261 0.000 0.801 149 E CB 0.013 29.802 29.700 0.149 0.000 0.743 149 E HN 0.392 nan 8.360 nan 0.000 0.453 150 Q N 0.774 120.648 119.800 0.123 0.000 2.016 150 Q HA -0.096 4.244 4.340 -0.000 0.000 0.200 150 Q C 2.054 178.109 176.000 0.090 0.000 0.978 150 Q CA 1.892 57.745 55.803 0.085 0.000 0.833 150 Q CB -0.502 28.271 28.738 0.058 0.000 0.895 150 Q HN 0.247 nan 8.270 nan 0.000 0.427 151 A N -0.529 122.345 122.820 0.089 0.000 1.892 151 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 151 A C 2.301 179.945 177.584 0.100 0.000 1.188 151 A CA 2.321 54.404 52.037 0.078 0.000 0.631 151 A CB -1.320 17.715 19.000 0.058 0.000 0.822 151 A HN 0.530 nan 8.150 nan 0.000 0.447 152 T N -0.299 114.340 114.554 0.141 0.000 2.622 152 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 152 T C 1.872 176.641 174.700 0.116 0.000 1.047 152 T CA 1.814 63.997 62.100 0.139 0.000 1.159 152 T CB -0.696 68.280 68.868 0.179 0.000 0.863 152 T HN 0.158 nan 8.240 nan 0.000 0.422 153 V N 2.131 122.121 119.914 0.127 0.000 2.392 153 V HA -0.207 3.913 4.120 -0.000 0.000 0.249 153 V C 2.354 178.571 176.094 0.206 0.000 1.059 153 V CA 1.895 64.305 62.300 0.183 0.000 1.051 153 V CB -0.682 31.223 31.823 0.136 0.000 0.658 153 V HN 0.440 nan 8.190 nan 0.000 0.455 154 D N -0.309 120.171 120.400 0.133 0.000 2.097 154 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 154 D C 1.931 178.287 176.300 0.093 0.000 0.984 154 D CA 1.196 55.261 54.000 0.108 0.000 0.826 154 D CB -0.348 40.493 40.800 0.069 0.000 0.973 154 D HN 0.383 nan 8.370 nan 0.000 0.460 155 L N 0.519 121.792 121.223 0.084 0.000 2.093 155 L HA -0.097 4.242 4.340 -0.000 0.000 0.208 155 L C 2.148 179.093 176.870 0.124 0.000 1.085 155 L CA 1.058 55.950 54.840 0.086 0.000 0.755 155 L CB -0.236 41.878 42.059 0.093 0.000 0.904 155 L HN -0.147 nan 8.230 nan 0.000 0.435 156 V N 0.187 120.145 119.914 0.074 0.000 2.332 156 V HA -0.344 3.775 4.120 -0.000 0.000 0.248 156 V C 2.789 178.823 176.094 -0.101 0.000 1.055 156 V CA 2.229 64.510 62.300 -0.031 0.000 1.038 156 V CB -0.783 30.962 31.823 -0.129 0.000 0.651 156 V HN 0.562 nan 8.190 nan 0.000 0.450 157 R N -0.113 120.396 120.500 0.016 0.000 2.117 157 R HA -0.200 4.140 4.340 -0.000 0.000 0.243 157 R C 2.511 178.827 176.300 0.025 0.000 1.143 157 R CA 1.730 57.898 56.100 0.114 0.000 0.968 157 R CB -0.197 30.278 30.300 0.291 0.000 0.863 157 R HN 0.467 nan 8.270 nan 0.000 0.444 158 R N -1.220 119.268 120.500 -0.020 0.000 2.081 158 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 158 R C 2.109 178.296 176.300 -0.188 0.000 1.131 158 R CA 1.947 57.971 56.100 -0.127 0.000 0.960 158 R CB -0.390 29.777 30.300 -0.222 0.000 0.856 158 R HN 0.490 nan 8.270 nan 0.000 0.436 159 H N -0.469 118.601 119.070 0.001 0.000 2.403 159 H HA -0.010 4.545 4.556 -0.000 0.000 0.298 159 H C 2.109 177.472 175.328 0.058 0.000 1.059 159 H CA 1.084 57.180 56.048 0.080 0.000 1.363 159 H CB 0.060 29.830 29.762 0.013 0.000 1.410 159 H HN -0.095 nan 8.280 nan 0.000 0.528 160 V N 1.618 121.544 119.914 0.020 0.000 2.392 160 V HA -0.265 3.855 4.120 -0.000 0.000 0.249 160 V C 2.184 178.273 176.094 -0.008 0.000 1.059 160 V CA 2.200 64.463 62.300 -0.061 0.000 1.051 160 V CB -0.525 31.129 31.823 -0.281 0.000 0.658 160 V HN 0.676 nan 8.190 nan 0.000 0.455 161 E N -0.374 119.827 120.200 0.001 0.000 2.418 161 E HA -0.198 4.151 4.350 -0.000 0.000 0.197 161 E C 1.709 178.286 176.600 -0.039 0.000 1.026 161 E CA 0.612 57.010 56.400 -0.004 0.000 0.862 161 E CB -0.167 29.536 29.700 0.005 0.000 0.799 161 E HN 0.510 nan 8.360 nan 0.000 0.518 162 Q N 0.235 120.006 119.800 -0.048 0.000 2.403 162 Q HA 0.084 4.424 4.340 -0.000 0.000 0.203 162 Q C 1.171 177.034 176.000 -0.230 0.000 0.932 162 Q CA 0.846 56.570 55.803 -0.132 0.000 0.945 162 Q CB 0.874 29.537 28.738 -0.125 0.000 1.045 162 Q HN 0.568 nan 8.270 nan 0.000 0.511 163 G N 0.616 109.338 108.800 -0.129 0.000 2.143 163 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.248 163 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.248 163 G C -0.179 174.641 174.900 -0.133 0.000 0.991 163 G CA -0.055 44.971 45.100 -0.123 0.000 0.689 163 G HN 0.362 nan 8.290 nan 0.000 0.522 164 Y N -0.263 120.025 120.300 -0.019 0.000 2.702 164 Y HA 0.242 4.792 4.550 -0.000 0.000 0.336 164 Y C 2.057 177.928 175.900 -0.049 0.000 1.235 164 Y CA 0.479 58.563 58.100 -0.026 0.000 1.492 164 Y CB 0.445 38.891 38.460 -0.022 0.000 1.308 164 Y HN 0.117 nan 8.280 nan 0.000 0.589 165 R N 1.258 121.837 120.500 0.133 0.000 2.334 165 R HA 0.131 4.471 4.340 -0.000 0.000 0.216 165 R C 0.148 176.442 176.300 -0.011 0.000 0.905 165 R CA 0.140 56.263 56.100 0.039 0.000 1.064 165 R CB 0.426 30.744 30.300 0.032 0.000 1.046 165 R HN 0.376 nan 8.270 nan 0.000 0.508 166 R N 1.070 121.551 120.500 -0.031 0.000 2.566 166 R HA 0.251 4.590 4.340 -0.000 0.000 0.271 166 R C -1.737 174.472 176.300 -0.152 0.000 1.071 166 R CA -0.483 55.544 56.100 -0.122 0.000 0.915 166 R CB 1.361 31.550 30.300 -0.185 0.000 1.228 166 R HN -0.061 nan 8.270 nan 0.000 0.449 167 I N 3.600 124.059 120.570 -0.186 0.000 2.354 167 I HA 0.356 4.526 4.170 -0.000 0.000 0.292 167 I C 0.016 175.999 176.117 -0.224 0.000 0.989 167 I CA -0.669 60.505 61.300 -0.210 0.000 1.188 167 I CB 1.676 39.552 38.000 -0.206 0.000 1.342 167 I HN 0.463 nan 8.210 nan 0.000 0.457 168 K N 7.377 127.648 120.400 -0.216 0.000 2.307 168 K HA 0.611 4.931 4.320 -0.000 0.000 0.263 168 K C -1.386 175.143 176.600 -0.117 0.000 0.973 168 K CA -0.516 55.669 56.287 -0.171 0.000 0.846 168 K CB 1.162 33.579 32.500 -0.139 0.000 1.100 168 K HN 0.511 nan 8.250 nan 0.000 0.438 169 L N 4.085 125.256 121.223 -0.087 0.000 2.282 169 L HA 0.434 4.774 4.340 -0.000 0.000 0.288 169 L C 0.109 176.988 176.870 0.015 0.000 1.033 169 L CA -0.950 53.866 54.840 -0.040 0.000 0.807 169 L CB 1.413 43.441 42.059 -0.052 0.000 1.209 169 L HN 0.548 nan 8.230 nan 0.000 0.423 170 K N 3.783 124.215 120.400 0.054 0.000 2.382 170 K HA 0.437 4.757 4.320 -0.000 0.000 0.275 170 K C -0.430 176.253 176.600 0.138 0.000 1.009 170 K CA -0.061 56.288 56.287 0.104 0.000 0.970 170 K CB 0.676 33.242 32.500 0.110 0.000 0.934 170 K HN 0.578 nan 8.250 nan 0.000 0.479 171 I N -0.690 119.983 120.570 0.172 0.000 3.239 171 I HA 0.628 4.798 4.170 -0.000 0.000 0.314 171 I C -1.351 174.936 176.117 0.283 0.000 1.126 171 I CA -1.190 60.241 61.300 0.219 0.000 0.973 171 I CB 2.257 40.356 38.000 0.166 0.000 1.252 171 I HN 0.619 nan 8.210 nan 0.000 0.463 172 K N 0.077 120.655 120.400 0.298 0.000 2.607 172 K HA 0.589 4.908 4.320 -0.000 0.000 0.287 172 K C -3.280 173.379 176.600 0.098 0.000 0.996 172 K CA -1.763 54.613 56.287 0.149 0.000 0.876 172 K CB 1.171 33.725 32.500 0.091 0.000 1.496 172 K HN 0.211 nan 8.250 nan 0.000 0.415 173 P HA 0.010 nan 4.420 nan 0.000 0.264 173 P C 0.595 177.933 177.300 0.063 0.000 1.183 173 P CA 1.706 64.753 63.100 -0.088 0.000 0.763 173 P CB 0.554 32.122 31.700 -0.220 0.000 0.807 174 G N 1.534 110.412 108.800 0.130 0.000 2.241 174 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.244 174 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.244 174 G C -0.399 174.704 174.900 0.338 0.000 0.998 174 G CA -0.251 44.956 45.100 0.178 0.000 0.621 174 G HN 0.596 nan 8.290 nan 0.000 0.519 175 W N 1.727 123.057 121.300 0.051 0.000 2.409 175 W HA 0.465 5.124 4.660 -0.000 0.000 0.285 175 W C -0.153 176.415 176.519 0.081 0.000 1.030 175 W CA 0.274 57.650 57.345 0.051 0.000 1.330 175 W CB 0.695 30.174 29.460 0.033 0.000 1.236 175 W HN 0.339 nan 8.180 nan 0.000 0.341 176 D N -0.036 120.285 120.400 -0.131 0.000 2.548 176 D HA -0.020 4.620 4.640 -0.000 0.000 0.223 176 D C 1.454 177.613 176.300 -0.234 0.000 1.346 176 D CA 0.142 54.066 54.000 -0.128 0.000 1.318 176 D CB 0.293 41.141 40.800 0.081 0.000 1.669 176 D HN -0.071 nan 8.370 nan 0.000 0.416 177 V N 0.837 120.662 119.914 -0.148 0.000 2.407 177 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 177 V C 2.221 178.134 176.094 -0.302 0.000 1.055 177 V CA 2.133 64.358 62.300 -0.125 0.000 1.049 177 V CB -0.828 30.996 31.823 0.003 0.000 0.662 177 V HN 0.135 nan 8.190 nan 0.000 0.455 178 Q N 0.175 119.704 119.800 -0.452 0.000 1.994 178 Q HA -0.076 4.264 4.340 -0.000 0.000 0.198 178 Q C 0.102 175.713 176.000 -0.648 0.000 0.976 178 Q CA 1.911 57.383 55.803 -0.551 0.000 0.828 178 Q CB -1.739 26.610 28.738 -0.648 0.000 0.894 178 Q HN 0.508 nan 8.270 nan 0.000 0.432 179 P HA -0.179 nan 4.420 nan 0.000 0.215 179 P C 1.309 178.385 177.300 -0.373 0.000 1.157 179 P CA 1.336 64.097 63.100 -0.566 0.000 0.874 179 P CB -0.050 31.290 31.700 -0.599 0.000 0.790 180 V N 0.749 120.419 119.914 -0.407 0.000 2.295 180 V HA -0.205 3.914 4.120 -0.000 0.000 0.246 180 V C 2.984 178.731 176.094 -0.578 0.000 1.049 180 V CA 1.893 63.968 62.300 -0.376 0.000 1.024 180 V CB -1.157 30.491 31.823 -0.290 0.000 0.648 180 V HN 0.073 nan 8.190 nan 0.000 0.447 181 R N 0.275 120.296 120.500 -0.798 0.000 2.083 181 R HA -0.210 4.130 4.340 -0.000 0.000 0.237 181 R C 2.283 178.332 176.300 -0.420 0.000 1.137 181 R CA 1.931 57.478 56.100 -0.921 0.000 0.951 181 R CB -0.472 29.481 30.300 -0.579 0.000 0.851 181 R HN 0.492 nan 8.270 nan 0.000 0.434 182 A N 0.074 122.726 122.820 -0.281 0.000 1.858 182 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 182 A C 2.257 179.794 177.584 -0.077 0.000 1.190 182 A CA 2.065 54.019 52.037 -0.138 0.000 0.617 182 A CB -1.093 17.855 19.000 -0.087 0.000 0.827 182 A HN 0.460 nan 8.150 nan 0.000 0.443 183 T N -0.547 113.970 114.554 -0.062 0.000 2.699 183 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 183 T C 2.144 176.911 174.700 0.112 0.000 1.036 183 T CA 1.907 64.055 62.100 0.078 0.000 1.147 183 T CB -0.261 68.608 68.868 0.002 0.000 0.862 183 T HN 0.446 nan 8.240 nan 0.000 0.446 184 R N 1.316 121.788 120.500 -0.047 0.000 2.081 184 R HA -0.027 4.313 4.340 -0.000 0.000 0.235 184 R C 2.171 178.479 176.300 0.014 0.000 1.131 184 R CA 1.634 57.729 56.100 -0.008 0.000 0.960 184 R CB -0.517 29.740 30.300 -0.071 0.000 0.856 184 R HN 0.524 nan 8.270 nan 0.000 0.436 185 E N -0.518 119.658 120.200 -0.039 0.000 2.031 185 E HA -0.133 4.216 4.350 -0.000 0.000 0.193 185 E C 1.926 178.466 176.600 -0.100 0.000 0.994 185 E CA 1.352 57.726 56.400 -0.043 0.000 0.800 185 E CB -0.269 29.400 29.700 -0.051 0.000 0.752 185 E HN 0.441 nan 8.360 nan 0.000 0.447 186 A N 0.543 123.267 122.820 -0.159 0.000 1.986 186 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 186 A C 0.710 177.866 177.584 -0.714 0.000 1.171 186 A CA 1.212 52.978 52.037 -0.452 0.000 0.640 186 A CB -0.224 18.472 19.000 -0.507 0.000 0.811 186 A HN 0.240 nan 8.150 nan 0.000 0.451 187 F N -1.290 118.644 119.950 -0.026 0.000 2.872 187 F HA 0.311 4.838 4.527 -0.000 0.000 0.365 187 F C -2.045 173.744 175.800 -0.019 0.000 1.296 187 F CA -1.570 56.418 58.000 -0.021 0.000 1.199 187 F CB 1.678 40.664 39.000 -0.023 0.000 1.687 187 F HN 0.005 nan 8.300 nan 0.000 0.604 188 P HA 0.042 nan 4.420 nan 0.000 0.245 188 P C 0.001 177.342 177.300 0.069 0.000 1.212 188 P CA 0.902 64.044 63.100 0.071 0.000 0.774 188 P CB 0.404 32.126 31.700 0.036 0.000 0.999 189 D N -0.432 120.021 120.400 0.088 0.000 2.454 189 D HA 0.107 4.747 4.640 -0.000 0.000 0.214 189 D C 1.083 177.412 176.300 0.049 0.000 1.088 189 D CA -0.154 53.882 54.000 0.060 0.000 0.855 189 D CB -0.054 40.780 40.800 0.056 0.000 1.025 189 D HN 0.267 nan 8.370 nan 0.000 0.502 190 I N -0.732 119.876 120.570 0.063 0.000 2.696 190 I HA 0.229 4.399 4.170 -0.000 0.000 0.284 190 I C -0.035 176.061 176.117 -0.035 0.000 1.129 190 I CA -0.644 60.657 61.300 0.002 0.000 1.410 190 I CB 0.793 38.760 38.000 -0.055 0.000 1.399 190 I HN -0.323 nan 8.210 nan 0.000 0.579 191 R N 4.717 125.180 120.500 -0.062 0.000 2.351 191 R HA 0.432 4.771 4.340 -0.000 0.000 0.318 191 R C -0.888 175.321 176.300 -0.152 0.000 1.055 191 R CA -0.492 55.547 56.100 -0.100 0.000 0.968 191 R CB 0.555 30.795 30.300 -0.101 0.000 0.974 191 R HN 0.521 nan 8.270 nan 0.000 0.439 192 L N 2.762 123.882 121.223 -0.171 0.000 2.385 192 L HA 0.465 4.805 4.340 -0.000 0.000 0.273 192 L C -0.409 176.293 176.870 -0.279 0.000 0.990 192 L CA -0.047 54.676 54.840 -0.195 0.000 0.821 192 L CB 2.246 44.229 42.059 -0.127 0.000 1.279 192 L HN 0.767 nan 8.230 nan 0.000 0.412 193 T N 1.787 116.141 114.554 -0.333 0.000 2.865 193 T HA 0.839 5.189 4.350 -0.000 0.000 0.294 193 T C -0.650 173.913 174.700 -0.230 0.000 1.119 193 T CA -0.255 61.582 62.100 -0.438 0.000 1.007 193 T CB 1.538 69.873 68.868 -0.889 0.000 1.225 193 T HN 0.907 nan 8.240 nan 0.000 0.515 194 V N -1.170 118.663 119.914 -0.135 0.000 2.864 194 V HA 0.780 4.900 4.120 -0.000 0.000 0.314 194 V C -1.303 174.844 176.094 0.089 0.000 1.073 194 V CA -0.877 61.409 62.300 -0.023 0.000 0.956 194 V CB 1.904 33.715 31.823 -0.019 0.000 1.023 194 V HN 0.986 nan 8.190 nan 0.000 0.435 195 D N 2.636 123.106 120.400 0.116 0.000 2.454 195 D HA 0.636 5.276 4.640 -0.000 0.000 0.225 195 D C 0.740 177.146 176.300 0.177 0.000 1.081 195 D CA 0.140 54.247 54.000 0.179 0.000 0.864 195 D CB 1.624 42.531 40.800 0.179 0.000 1.040 195 D HN 0.901 nan 8.370 nan 0.000 0.517 196 A N 4.027 126.955 122.820 0.179 0.000 2.235 196 A HA -0.037 4.283 4.320 -0.000 0.000 0.208 196 A C 1.238 179.017 177.584 0.324 0.000 1.172 196 A CA 0.193 52.363 52.037 0.220 0.000 0.786 196 A CB -0.435 18.574 19.000 0.015 0.000 0.804 196 A HN 0.676 nan 8.150 nan 0.000 0.479 197 N N -0.810 118.042 118.700 0.252 0.000 2.721 197 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 197 N C 0.284 175.930 175.510 0.226 0.000 1.072 197 N CA 1.065 54.251 53.050 0.226 0.000 0.710 197 N CB -1.960 36.644 38.487 0.195 0.000 0.993 197 N HN 0.438 nan 8.380 nan 0.000 0.547 198 S N -3.127 112.727 115.700 0.257 0.000 3.295 198 S HA -0.287 4.183 4.470 -0.000 0.000 0.353 198 S C 1.084 175.805 174.600 0.201 0.000 1.155 198 S CA 1.133 59.477 58.200 0.239 0.000 0.996 198 S CB -1.652 61.684 63.200 0.226 0.000 0.932 198 S HN 0.917 nan 8.310 nan 0.000 0.556 199 A N -1.145 121.813 122.820 0.230 0.000 2.276 199 A HA 0.470 4.790 4.320 -0.000 0.000 0.212 199 A C 0.229 177.675 177.584 -0.231 0.000 1.230 199 A CA 0.484 52.513 52.037 -0.012 0.000 0.844 199 A CB -0.064 18.868 19.000 -0.114 0.000 0.860 199 A HN 0.560 nan 8.150 nan 0.000 0.486 200 Y N -1.567 118.759 120.300 0.043 0.000 2.605 200 Y HA 0.577 5.126 4.550 -0.000 0.000 0.343 200 Y C 0.563 176.458 175.900 -0.009 0.000 1.036 200 Y CA -0.344 57.767 58.100 0.019 0.000 1.065 200 Y CB 1.837 40.308 38.460 0.018 0.000 1.288 200 Y HN 0.111 nan 8.280 nan 0.000 0.481 201 T N -2.471 112.173 114.554 0.149 0.000 2.887 201 T HA 0.394 4.743 4.350 -0.000 0.000 0.292 201 T C 0.493 175.221 174.700 0.046 0.000 1.087 201 T CA -0.887 61.246 62.100 0.056 0.000 1.009 201 T CB 0.875 69.759 68.868 0.026 0.000 1.203 201 T HN 0.624 nan 8.240 nan 0.000 0.518 202 L N 0.722 121.944 121.223 -0.002 0.000 2.197 202 L HA -0.119 4.221 4.340 -0.000 0.000 0.215 202 L C 3.069 179.948 176.870 0.015 0.000 1.095 202 L CA 1.742 56.577 54.840 -0.008 0.000 0.764 202 L CB -0.836 41.210 42.059 -0.022 0.000 0.897 202 L HN 0.958 nan 8.230 nan 0.000 0.436 203 A N -0.734 122.102 122.820 0.027 0.000 2.070 203 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 203 A C 1.675 179.292 177.584 0.054 0.000 1.159 203 A CA 1.591 53.648 52.037 0.032 0.000 0.656 203 A CB -0.316 18.701 19.000 0.027 0.000 0.800 203 A HN 0.380 nan 8.150 nan 0.000 0.453 204 D N -0.110 120.345 120.400 0.091 0.000 2.328 204 D HA 0.248 4.888 4.640 -0.000 0.000 0.226 204 D C 1.889 178.240 176.300 0.086 0.000 1.066 204 D CA 0.758 54.845 54.000 0.145 0.000 0.861 204 D CB 0.035 41.044 40.800 0.348 0.000 0.912 204 D HN 0.437 nan 8.370 nan 0.000 0.521 205 A N 1.091 123.934 122.820 0.039 0.000 1.927 205 A HA -0.156 4.163 4.320 -0.000 0.000 0.220 205 A C 2.356 179.944 177.584 0.007 0.000 1.185 205 A CA 2.115 54.156 52.037 0.007 0.000 0.639 205 A CB -1.019 17.981 19.000 0.000 0.000 0.820 205 A HN 0.330 nan 8.150 nan 0.000 0.451 206 G N -0.103 108.709 108.800 0.020 0.000 2.402 206 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.216 206 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.216 206 G C 1.702 176.615 174.900 0.022 0.000 1.162 206 G CA 0.898 46.008 45.100 0.017 0.000 0.777 206 G HN 0.714 nan 8.290 nan 0.000 0.539 207 R N 0.202 120.729 120.500 0.045 0.000 2.075 207 R HA 0.143 4.482 4.340 -0.000 0.000 0.232 207 R C 2.469 178.787 176.300 0.029 0.000 1.126 207 R CA 0.859 56.994 56.100 0.058 0.000 0.963 207 R CB -0.830 29.537 30.300 0.111 0.000 0.858 207 R HN 0.317 nan 8.270 nan 0.000 0.435 208 L N 0.916 122.134 121.223 -0.007 0.000 2.131 208 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 208 L C 2.939 179.783 176.870 -0.042 0.000 1.092 208 L CA 1.262 56.057 54.840 -0.076 0.000 0.759 208 L CB -0.416 41.546 42.059 -0.162 0.000 0.903 208 L HN 0.204 nan 8.230 nan 0.000 0.435 209 R N 0.149 120.634 120.500 -0.026 0.000 2.152 209 R HA -0.178 4.162 4.340 -0.000 0.000 0.232 209 R C 2.173 178.454 176.300 -0.033 0.000 1.117 209 R CA 1.116 57.200 56.100 -0.027 0.000 0.981 209 R CB -0.023 30.264 30.300 -0.022 0.000 0.870 209 R HN 0.432 nan 8.270 nan 0.000 0.451 210 Q N -0.044 119.747 119.800 -0.015 0.000 2.364 210 Q HA -0.081 4.259 4.340 -0.000 0.000 0.207 210 Q C 1.682 177.682 176.000 -0.001 0.000 0.970 210 Q CA 0.810 56.605 55.803 -0.014 0.000 0.888 210 Q CB 0.127 28.881 28.738 0.026 0.000 0.951 210 Q HN 0.409 nan 8.270 nan 0.000 0.469 211 L N 0.225 121.465 121.223 0.029 0.000 2.478 211 L HA -0.112 4.228 4.340 -0.000 0.000 0.223 211 L C 1.185 178.062 176.870 0.012 0.000 1.140 211 L CA 0.204 55.106 54.840 0.103 0.000 0.842 211 L CB -0.100 41.991 42.059 0.052 0.000 0.953 211 L HN 0.119 nan 8.230 nan 0.000 0.452 212 D N 0.776 121.132 120.400 -0.073 0.000 2.178 212 D HA -0.209 4.430 4.640 -0.000 0.000 0.201 212 D C 1.956 178.157 176.300 -0.166 0.000 0.980 212 D CA 1.323 55.270 54.000 -0.090 0.000 0.842 212 D CB 0.042 40.795 40.800 -0.078 0.000 0.948 212 D HN 0.572 nan 8.370 nan 0.000 0.472 213 E N -0.437 119.549 120.200 -0.355 0.000 2.418 213 E HA -0.175 4.175 4.350 -0.000 0.000 0.197 213 E C 0.686 177.030 176.600 -0.428 0.000 1.026 213 E CA 0.674 56.807 56.400 -0.446 0.000 0.862 213 E CB -0.344 29.001 29.700 -0.591 0.000 0.799 213 E HN 0.325 nan 8.360 nan 0.000 0.518 214 Y N 1.540 121.818 120.300 -0.037 0.000 2.493 214 Y HA 0.142 4.692 4.550 -0.000 0.000 0.275 214 Y C -0.220 175.653 175.900 -0.045 0.000 1.183 214 Y CA -0.706 57.369 58.100 -0.041 0.000 1.258 214 Y CB -0.179 38.250 38.460 -0.052 0.000 1.108 214 Y HN -0.077 nan 8.280 nan 0.000 0.521 215 D N 0.627 121.051 120.400 0.040 0.000 2.704 215 D HA -0.224 4.415 4.640 -0.000 0.000 0.232 215 D C -0.309 175.990 176.300 -0.002 0.000 1.183 215 D CA 0.643 54.650 54.000 0.012 0.000 0.647 215 D CB -1.130 39.676 40.800 0.011 0.000 1.013 215 D HN 0.363 nan 8.370 nan 0.000 0.415 216 L N 0.097 121.314 121.223 -0.011 0.000 2.456 216 L HA 0.037 4.377 4.340 -0.000 0.000 0.272 216 L C 2.203 179.008 176.870 -0.108 0.000 1.189 216 L CA -0.130 54.661 54.840 -0.082 0.000 0.846 216 L CB 0.448 42.457 42.059 -0.084 0.000 1.111 216 L HN -0.030 nan 8.230 nan 0.000 0.475 217 T N 1.121 115.547 114.554 -0.212 0.000 2.788 217 T HA -0.104 4.246 4.350 -0.000 0.000 0.268 217 T C -0.328 174.352 174.700 -0.033 0.000 1.044 217 T CA 1.563 63.565 62.100 -0.164 0.000 1.139 217 T CB -0.216 68.497 68.868 -0.257 0.000 0.867 217 T HN 0.623 nan 8.240 nan 0.000 0.454 218 Y N -2.150 118.149 120.300 -0.003 0.000 2.741 218 Y HA 0.622 5.172 4.550 -0.000 0.000 0.339 218 Y C -1.836 174.080 175.900 0.025 0.000 1.226 218 Y CA -2.212 55.905 58.100 0.028 0.000 1.072 218 Y CB 0.565 39.071 38.460 0.077 0.000 1.331 218 Y HN -0.141 nan 8.280 nan 0.000 0.453 219 I N 2.024 122.756 120.570 0.271 0.000 2.362 219 I HA 0.308 4.478 4.170 -0.000 0.000 0.289 219 I C -0.534 175.752 176.117 0.282 0.000 0.994 219 I CA -0.632 60.779 61.300 0.186 0.000 1.158 219 I CB 1.799 39.834 38.000 0.058 0.000 1.315 219 I HN 0.687 nan 8.210 nan 0.000 0.451 220 E N 6.046 126.437 120.200 0.319 0.000 2.200 220 E HA 0.121 4.471 4.350 -0.000 0.000 0.283 220 E C -0.259 176.471 176.600 0.217 0.000 1.015 220 E CA -0.593 55.984 56.400 0.295 0.000 0.819 220 E CB 0.763 30.701 29.700 0.397 0.000 1.081 220 E HN 0.478 nan 8.360 nan 0.000 0.397 221 Q N 3.753 123.658 119.800 0.175 0.000 2.426 221 Q HA -0.167 4.173 4.340 -0.000 0.000 0.359 221 Q C -1.973 174.218 176.000 0.319 0.000 1.381 221 Q CA 0.664 56.606 55.803 0.231 0.000 1.060 221 Q CB -0.182 28.654 28.738 0.164 0.000 1.253 221 Q HN 0.512 nan 8.270 nan 0.000 0.363 222 P HA -0.118 nan 4.420 nan 0.000 0.220 222 P C 0.305 177.715 177.300 0.183 0.000 1.152 222 P CA 1.060 64.264 63.100 0.172 0.000 0.812 222 P CB 0.293 31.974 31.700 -0.031 0.000 0.792 223 L N -1.074 120.176 121.223 0.045 0.000 2.805 223 L HA 0.596 4.936 4.340 -0.000 0.000 0.242 223 L C 0.893 177.838 176.870 0.124 0.000 1.180 223 L CA -1.562 53.220 54.840 -0.096 0.000 1.001 223 L CB -0.600 41.148 42.059 -0.518 0.000 1.864 223 L HN -0.243 nan 8.230 nan 0.000 0.551 224 A N 0.470 123.323 122.820 0.054 0.000 2.540 224 A HA -0.064 4.256 4.320 -0.000 0.000 0.239 224 A C 0.921 178.551 177.584 0.076 0.000 1.061 224 A CA -0.065 52.002 52.037 0.050 0.000 0.758 224 A CB -0.241 18.706 19.000 -0.088 0.000 0.991 224 A HN 0.876 nan 8.150 nan 0.000 0.502 225 W N 2.529 123.855 121.300 0.043 0.000 2.364 225 W HA -0.161 4.499 4.660 -0.000 0.000 0.281 225 W C -0.120 176.381 176.519 -0.030 0.000 1.219 225 W CA 1.360 58.697 57.345 -0.013 0.000 1.220 225 W CB -0.482 28.924 29.460 -0.090 0.000 1.127 225 W HN 0.759 nan 8.180 nan 0.000 0.556 226 D N -0.010 119.874 120.400 -0.859 0.000 2.440 226 D HA 0.068 4.708 4.640 -0.000 0.000 0.216 226 D C -0.762 175.291 176.300 -0.412 0.000 1.150 226 D CA -0.325 53.150 54.000 -0.876 0.000 0.832 226 D CB -0.614 39.224 40.800 -1.603 0.000 0.992 226 D HN 0.138 nan 8.370 nan 0.000 0.502 227 D N -0.159 120.115 120.400 -0.209 0.000 2.163 227 D HA 0.365 5.004 4.640 -0.000 0.000 0.248 227 D C 0.725 177.045 176.300 0.034 0.000 1.035 227 D CA -0.637 53.329 54.000 -0.057 0.000 0.872 227 D CB 1.635 42.455 40.800 0.033 0.000 1.183 227 D HN -0.070 nan 8.370 nan 0.000 0.445 228 L N 2.667 123.894 121.223 0.008 0.000 2.694 228 L HA 0.124 4.464 4.340 -0.000 0.000 0.228 228 L C 1.948 178.846 176.870 0.046 0.000 1.048 228 L CA -0.172 54.673 54.840 0.008 0.000 0.887 228 L CB -0.003 42.022 42.059 -0.057 0.000 1.265 228 L HN 0.369 nan 8.230 nan 0.000 0.492 229 V N 0.509 120.430 119.914 0.012 0.000 2.307 229 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 229 V C 1.961 178.058 176.094 0.006 0.000 1.045 229 V CA 2.068 64.368 62.300 0.000 0.000 1.024 229 V CB -0.349 31.463 31.823 -0.018 0.000 0.651 229 V HN 0.385 nan 8.190 nan 0.000 0.449 230 D N -1.092 119.304 120.400 -0.006 0.000 2.144 230 D HA -0.139 4.501 4.640 -0.000 0.000 0.200 230 D C 2.053 178.316 176.300 -0.063 0.000 0.978 230 D CA 1.269 55.239 54.000 -0.050 0.000 0.833 230 D CB -0.317 40.425 40.800 -0.097 0.000 0.961 230 D HN 0.573 nan 8.370 nan 0.000 0.470 231 H N 0.370 119.422 119.070 -0.030 0.000 2.387 231 H HA 0.020 4.575 4.556 -0.000 0.000 0.299 231 H C 2.041 177.353 175.328 -0.027 0.000 1.090 231 H CA 1.566 57.599 56.048 -0.026 0.000 1.332 231 H CB -0.023 29.719 29.762 -0.033 0.000 1.386 231 H HN 0.113 nan 8.280 nan 0.000 0.516 232 A N 0.665 123.538 122.820 0.089 0.000 1.902 232 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 232 A C 2.222 179.816 177.584 0.017 0.000 1.181 232 A CA 1.888 53.945 52.037 0.034 0.000 0.623 232 A CB -0.332 18.675 19.000 0.012 0.000 0.818 232 A HN 0.407 nan 8.150 nan 0.000 0.443 233 E N -0.068 120.136 120.200 0.005 0.000 2.031 233 E HA -0.180 4.169 4.350 -0.000 0.000 0.193 233 E C 1.803 178.398 176.600 -0.008 0.000 0.994 233 E CA 1.440 57.837 56.400 -0.006 0.000 0.800 233 E CB -0.542 29.149 29.700 -0.016 0.000 0.752 233 E HN 0.389 nan 8.360 nan 0.000 0.447 234 L N 0.478 121.690 121.223 -0.018 0.000 2.042 234 L HA -0.079 4.260 4.340 -0.000 0.000 0.210 234 L C 2.248 179.117 176.870 -0.002 0.000 1.076 234 L CA 2.390 57.217 54.840 -0.022 0.000 0.749 234 L CB -1.125 40.902 42.059 -0.054 0.000 0.893 234 L HN 0.201 nan 8.230 nan 0.000 0.432 235 A N -0.527 122.303 122.820 0.017 0.000 1.978 235 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 235 A C 2.393 179.983 177.584 0.010 0.000 1.170 235 A CA 1.896 53.945 52.037 0.021 0.000 0.636 235 A CB -0.592 18.425 19.000 0.028 0.000 0.810 235 A HN 0.553 nan 8.150 nan 0.000 0.448 236 R N -1.034 119.470 120.500 0.006 0.000 2.148 236 R HA -0.006 4.334 4.340 -0.000 0.000 0.227 236 R C 2.109 178.408 176.300 -0.001 0.000 1.103 236 R CA 1.233 57.335 56.100 0.003 0.000 0.983 236 R CB -0.157 30.143 30.300 0.001 0.000 0.874 236 R HN 0.478 nan 8.270 nan 0.000 0.451 237 R N 0.384 120.882 120.500 -0.003 0.000 2.254 237 R HA 0.178 4.518 4.340 -0.000 0.000 0.195 237 R C 0.889 177.184 176.300 -0.009 0.000 0.957 237 R CA 0.382 56.478 56.100 -0.007 0.000 1.024 237 R CB 0.231 30.526 30.300 -0.008 0.000 0.952 237 R HN 0.222 nan 8.270 nan 0.000 0.484 238 I N -3.692 116.873 120.570 -0.008 0.000 2.892 238 I HA 0.402 4.572 4.170 -0.000 0.000 0.306 238 I C 0.379 176.492 176.117 -0.006 0.000 1.078 238 I CA -1.048 60.245 61.300 -0.012 0.000 1.032 238 I CB 2.492 40.481 38.000 -0.017 0.000 1.229 238 I HN -0.320 nan 8.210 nan 0.000 0.435 239 R N 0.936 121.429 120.500 -0.011 0.000 2.140 239 R HA 0.177 4.517 4.340 -0.000 0.000 0.213 239 R C 0.239 176.540 176.300 0.002 0.000 1.059 239 R CA 0.571 56.667 56.100 -0.007 0.000 1.000 239 R CB 0.097 30.386 30.300 -0.018 0.000 0.910 239 R HN 0.755 nan 8.270 nan 0.000 0.455 240 T N 3.361 117.916 114.554 0.002 0.000 2.902 240 T HA 0.100 4.449 4.350 -0.000 0.000 0.301 240 T C -2.369 172.358 174.700 0.045 0.000 1.012 240 T CA -0.903 61.209 62.100 0.019 0.000 1.151 240 T CB 0.985 69.860 68.868 0.012 0.000 0.946 240 T HN -0.046 nan 8.240 nan 0.000 0.542 241 P HA 0.175 nan 4.420 nan 0.000 0.269 241 P C -0.450 176.927 177.300 0.128 0.000 1.209 241 P CA -0.251 62.904 63.100 0.092 0.000 0.776 241 P CB 0.447 32.217 31.700 0.115 0.000 0.876 242 L N 2.098 123.379 121.223 0.095 0.000 2.325 242 L HA 0.444 4.784 4.340 -0.000 0.000 0.279 242 L C 0.273 177.178 176.870 0.059 0.000 1.054 242 L CA -0.673 54.229 54.840 0.105 0.000 0.804 242 L CB 1.430 43.549 42.059 0.100 0.000 1.200 242 L HN 0.438 nan 8.230 nan 0.000 0.436 243 C N 5.098 124.436 119.300 0.062 0.000 2.351 243 C HA 0.612 5.072 4.460 -0.000 0.000 0.326 243 C C -0.053 174.877 174.990 -0.099 0.000 1.272 243 C CA -0.685 58.286 59.018 -0.079 0.000 1.650 243 C CB 0.096 27.695 27.740 -0.234 0.000 2.257 243 C HN 0.689 nan 8.230 nan 0.000 0.505 244 L N 5.728 126.838 121.223 -0.188 0.000 2.307 244 L HA 0.459 4.799 4.340 -0.000 0.000 0.282 244 L C 0.494 177.247 176.870 -0.194 0.000 1.051 244 L CA -0.030 54.678 54.840 -0.219 0.000 0.804 244 L CB 1.256 43.155 42.059 -0.267 0.000 1.197 244 L HN 0.765 nan 8.230 nan 0.000 0.431 245 D N 0.736 121.067 120.400 -0.116 0.000 3.051 245 D HA -0.015 4.625 4.640 -0.000 0.000 0.216 245 D C 1.380 177.681 176.300 0.002 0.000 1.454 245 D CA 0.279 54.244 54.000 -0.059 0.000 1.400 245 D CB 0.264 41.096 40.800 0.053 0.000 0.975 245 D HN 0.509 nan 8.370 nan 0.000 0.212 246 E N 0.246 120.481 120.200 0.057 0.000 2.219 246 E HA -0.109 4.241 4.350 -0.000 0.000 0.198 246 E C 1.856 178.503 176.600 0.079 0.000 0.998 246 E CA 1.613 58.047 56.400 0.056 0.000 0.818 246 E CB -0.140 29.577 29.700 0.029 0.000 0.741 246 E HN 0.302 nan 8.360 nan 0.000 0.477 247 S N -0.686 115.012 115.700 -0.004 0.000 2.603 247 S HA 0.074 4.544 4.470 -0.000 0.000 0.220 247 S C 0.671 175.230 174.600 -0.068 0.000 0.967 247 S CA -0.262 57.904 58.200 -0.056 0.000 0.920 247 S CB 0.361 63.482 63.200 -0.132 0.000 0.773 247 S HN -0.052 nan 8.310 nan 0.000 0.529 248 V N 2.091 121.967 119.914 -0.064 0.000 2.277 248 V HA 0.685 4.805 4.120 -0.000 0.000 0.269 248 V C 0.611 176.688 176.094 -0.028 0.000 1.036 248 V CA -0.055 62.205 62.300 -0.068 0.000 0.821 248 V CB 0.421 32.176 31.823 -0.113 0.000 1.052 248 V HN 0.458 nan 8.190 nan 0.000 0.462 249 A N 3.832 126.649 122.820 -0.005 0.000 2.470 249 A HA 0.671 4.991 4.320 -0.000 0.000 0.251 249 A C 0.660 178.253 177.584 0.014 0.000 1.245 249 A CA 0.495 52.544 52.037 0.021 0.000 0.932 249 A CB 0.217 19.247 19.000 0.051 0.000 1.037 249 A HN 0.927 nan 8.150 nan 0.000 0.522 250 S N -3.328 112.371 115.700 -0.001 0.000 2.615 250 S HA 0.598 5.067 4.470 -0.000 0.000 0.268 250 S C 0.742 175.340 174.600 -0.003 0.000 1.146 250 S CA 0.071 58.274 58.200 0.006 0.000 0.818 250 S CB 0.813 64.020 63.200 0.013 0.000 1.111 250 S HN 1.040 nan 8.310 nan 0.000 0.465 251 A N 1.560 124.387 122.820 0.012 0.000 1.930 251 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 251 A C 2.317 179.909 177.584 0.012 0.000 1.175 251 A CA 2.222 54.269 52.037 0.016 0.000 0.627 251 A CB -1.513 17.509 19.000 0.037 0.000 0.815 251 A HN 1.665 nan 8.150 nan 0.000 0.443 252 S N 0.238 115.945 115.700 0.013 0.000 2.383 252 S HA -0.172 4.298 4.470 -0.000 0.000 0.227 252 S C 1.373 175.964 174.600 -0.014 0.000 1.026 252 S CA 1.376 59.582 58.200 0.009 0.000 0.981 252 S CB -0.494 62.714 63.200 0.012 0.000 0.818 252 S HN 0.483 nan 8.310 nan 0.000 0.472 253 D N 2.571 122.956 120.400 -0.026 0.000 2.117 253 D HA 0.045 4.684 4.640 -0.000 0.000 0.197 253 D C 2.290 178.538 176.300 -0.085 0.000 0.987 253 D CA 1.484 55.453 54.000 -0.051 0.000 0.829 253 D CB -0.739 40.032 40.800 -0.049 0.000 0.961 253 D HN 0.556 nan 8.370 nan 0.000 0.460 254 A N 1.199 123.969 122.820 -0.085 0.000 1.877 254 A HA -0.199 4.120 4.320 -0.000 0.000 0.216 254 A C 2.182 179.652 177.584 -0.190 0.000 1.186 254 A CA 1.521 53.477 52.037 -0.135 0.000 0.620 254 A CB -0.462 18.478 19.000 -0.100 0.000 0.822 254 A HN 0.052 nan 8.150 nan 0.000 0.443 255 R N 0.394 120.841 120.500 -0.090 0.000 2.096 255 R HA -0.193 4.146 4.340 -0.000 0.000 0.240 255 R C 1.956 178.180 176.300 -0.127 0.000 1.139 255 R CA 2.325 58.400 56.100 -0.042 0.000 0.952 255 R CB -0.484 29.878 30.300 0.103 0.000 0.854 255 R HN 0.596 nan 8.270 nan 0.000 0.436 256 K N -0.212 120.137 120.400 -0.085 0.000 2.057 256 K HA -0.048 4.272 4.320 -0.000 0.000 0.206 256 K C 2.203 178.725 176.600 -0.130 0.000 1.050 256 K CA 1.400 57.643 56.287 -0.075 0.000 0.935 256 K CB -0.224 32.245 32.500 -0.051 0.000 0.715 256 K HN 0.254 nan 8.250 nan 0.000 0.439 257 A N 1.338 124.056 122.820 -0.169 0.000 1.908 257 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 257 A C 2.105 179.533 177.584 -0.261 0.000 1.181 257 A CA 1.440 53.363 52.037 -0.190 0.000 0.627 257 A CB -0.640 18.241 19.000 -0.198 0.000 0.818 257 A HN 0.166 nan 8.150 nan 0.000 0.445 258 L N -1.247 119.703 121.223 -0.454 0.000 2.131 258 L HA -0.045 4.295 4.340 -0.000 0.000 0.206 258 L C 3.033 179.580 176.870 -0.537 0.000 1.087 258 L CA 0.798 55.223 54.840 -0.692 0.000 0.767 258 L CB -0.510 40.708 42.059 -1.401 0.000 0.917 258 L HN 0.402 nan 8.230 nan 0.000 0.441 259 A N 0.224 122.813 122.820 -0.386 0.000 1.930 259 A HA -0.129 4.190 4.320 -0.000 0.000 0.217 259 A C 2.237 179.817 177.584 -0.007 0.000 1.175 259 A CA 1.294 53.342 52.037 0.019 0.000 0.627 259 A CB -0.617 18.460 19.000 0.130 0.000 0.815 259 A HN 0.349 nan 8.150 nan 0.000 0.443 260 L N -1.399 119.789 121.223 -0.059 0.000 2.217 260 L HA 0.052 4.391 4.340 -0.000 0.000 0.211 260 L C 1.734 178.586 176.870 -0.031 0.000 1.107 260 L CA 0.794 55.614 54.840 -0.034 0.000 0.783 260 L CB -0.298 41.736 42.059 -0.043 0.000 0.919 260 L HN 0.622 nan 8.230 nan 0.000 0.442 261 G N -1.021 107.744 108.800 -0.059 0.000 2.142 261 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.225 261 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.225 261 G C 0.856 175.735 174.900 -0.036 0.000 1.015 261 G CA 0.315 45.390 45.100 -0.041 0.000 0.716 261 G HN 0.417 nan 8.290 nan 0.000 0.508 262 A N -0.922 121.863 122.820 -0.059 0.000 2.066 262 A HA 0.592 4.911 4.320 -0.000 0.000 0.218 262 A C 1.655 179.213 177.584 -0.043 0.000 1.157 262 A CA 1.903 53.922 52.037 -0.030 0.000 0.670 262 A CB 0.114 19.078 19.000 -0.060 0.000 0.804 262 A HN 2.197 nan 8.150 nan 0.000 0.453 263 G N -4.038 104.712 108.800 -0.084 0.000 2.576 263 G HA2 0.454 4.413 3.960 -0.000 0.000 0.290 263 G HA3 0.454 4.413 3.960 -0.000 0.000 0.290 263 G C 0.167 175.019 174.900 -0.080 0.000 1.442 263 G CA 0.222 45.278 45.100 -0.073 0.000 0.792 263 G HN 0.638 nan 8.290 nan 0.000 0.491 264 G N -1.387 107.385 108.800 -0.046 0.000 3.228 264 G HA2 0.475 4.434 3.960 -0.000 0.000 0.245 264 G HA3 0.475 4.434 3.960 -0.000 0.000 0.245 264 G C -0.339 174.537 174.900 -0.041 0.000 1.051 264 G CA 0.305 45.385 45.100 -0.033 0.000 0.809 264 G HN 0.942 nan 8.290 nan 0.000 0.531 265 V N 0.964 120.832 119.914 -0.077 0.000 2.888 265 V HA 0.503 4.623 4.120 -0.000 0.000 0.309 265 V C -1.059 174.912 176.094 -0.205 0.000 1.114 265 V CA -0.785 61.450 62.300 -0.109 0.000 0.940 265 V CB 2.376 34.135 31.823 -0.106 0.000 1.021 265 V HN 0.099 nan 8.190 nan 0.000 0.426 266 I N 3.254 123.662 120.570 -0.270 0.000 2.406 266 I HA 0.386 4.556 4.170 -0.000 0.000 0.290 266 I C -0.172 175.544 176.117 -0.668 0.000 0.999 266 I CA -0.562 60.513 61.300 -0.374 0.000 1.124 266 I CB 1.874 39.694 38.000 -0.300 0.000 1.289 266 I HN 0.611 nan 8.210 nan 0.000 0.441 267 N N 7.103 125.304 118.700 -0.832 0.000 2.399 267 N HA 0.068 4.807 4.740 -0.000 0.000 0.259 267 N C -1.110 174.007 175.510 -0.656 0.000 1.160 267 N CA -0.263 52.012 53.050 -1.292 0.000 0.946 267 N CB 0.718 38.509 38.487 -1.160 0.000 1.156 267 N HN 0.392 nan 8.380 nan 0.000 0.489 268 L N 4.050 124.963 121.223 -0.517 0.000 2.261 268 L HA 0.387 4.726 4.340 -0.000 0.000 0.289 268 L C -0.337 176.479 176.870 -0.090 0.000 1.059 268 L CA -0.100 54.612 54.840 -0.214 0.000 0.816 268 L CB 0.109 42.084 42.059 -0.139 0.000 1.191 268 L HN 0.383 nan 8.230 nan 0.000 0.431 269 K N 4.256 124.605 120.400 -0.086 0.000 2.293 269 K HA 0.214 4.534 4.320 -0.000 0.000 0.267 269 K C 0.774 177.354 176.600 -0.033 0.000 1.010 269 K CA -0.384 55.873 56.287 -0.050 0.000 0.875 269 K CB 2.193 34.658 32.500 -0.059 0.000 1.106 269 K HN 0.553 nan 8.250 nan 0.000 0.450 270 V N 3.381 123.270 119.914 -0.042 0.000 2.332 270 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 270 V C 1.786 177.812 176.094 -0.114 0.000 1.055 270 V CA 2.747 64.989 62.300 -0.097 0.000 1.038 270 V CB -0.147 31.557 31.823 -0.199 0.000 0.651 270 V HN 0.930 nan 8.190 nan 0.000 0.450 271 A N -0.162 122.597 122.820 -0.101 0.000 1.930 271 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 271 A C 2.404 179.975 177.584 -0.022 0.000 1.176 271 A CA 1.470 53.459 52.037 -0.080 0.000 0.632 271 A CB -0.688 18.265 19.000 -0.080 0.000 0.819 271 A HN 0.568 nan 8.150 nan 0.000 0.445 272 R N 0.265 120.766 120.500 0.002 0.000 2.117 272 R HA -0.141 4.198 4.340 -0.000 0.000 0.243 272 R C 1.705 178.027 176.300 0.037 0.000 1.143 272 R CA 2.102 58.234 56.100 0.052 0.000 0.968 272 R CB -0.334 30.021 30.300 0.092 0.000 0.863 272 R HN 0.539 nan 8.270 nan 0.000 0.444 273 V N -3.387 116.533 119.914 0.010 0.000 3.649 273 V HA 0.388 4.508 4.120 -0.000 0.000 0.275 273 V C 0.867 176.969 176.094 0.013 0.000 1.281 273 V CA 0.673 62.980 62.300 0.012 0.000 1.143 273 V CB 0.347 32.172 31.823 0.003 0.000 0.892 273 V HN 0.454 nan 8.190 nan 0.000 0.441 274 G N -1.530 107.273 108.800 0.004 0.000 2.148 274 G HA2 0.319 4.279 3.960 -0.000 0.000 0.203 274 G HA3 0.319 4.279 3.960 -0.000 0.000 0.203 274 G C 0.952 175.850 174.900 -0.004 0.000 0.993 274 G CA -0.027 45.076 45.100 0.006 0.000 0.661 274 G HN 2.268 nan 8.290 nan 0.000 0.518 275 G N -1.727 107.048 108.800 -0.042 0.000 2.331 275 G HA2 0.202 4.162 3.960 -0.000 0.000 0.479 275 G HA3 0.202 4.162 3.960 -0.000 0.000 0.479 275 G C 0.259 175.106 174.900 -0.087 0.000 1.262 275 G CA 0.451 45.501 45.100 -0.083 0.000 1.029 275 G HN 0.544 nan 8.290 nan 0.000 0.487 276 H N -0.073 119.014 119.070 0.028 0.000 2.326 276 H HA 0.044 4.600 4.556 -0.000 0.000 0.301 276 H C 3.143 178.413 175.328 -0.097 0.000 1.081 276 H CA 2.492 58.441 56.048 -0.165 0.000 1.334 276 H CB -0.601 28.779 29.762 -0.637 0.000 1.385 276 H HN 0.742 nan 8.280 nan 0.000 0.504 277 A N 1.151 124.117 122.820 0.243 0.000 1.865 277 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 277 A C 2.382 180.051 177.584 0.143 0.000 1.191 277 A CA 2.070 54.258 52.037 0.251 0.000 0.623 277 A CB -0.461 18.783 19.000 0.407 0.000 0.826 277 A HN 0.381 nan 8.150 nan 0.000 0.444 278 E N 0.066 120.338 120.200 0.120 0.000 2.153 278 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 278 E C 2.166 178.805 176.600 0.065 0.000 0.988 278 E CA 1.473 57.919 56.400 0.077 0.000 0.811 278 E CB -0.237 29.496 29.700 0.055 0.000 0.746 278 E HN 0.511 nan 8.360 nan 0.000 0.466 279 S N -0.163 115.573 115.700 0.059 0.000 2.355 279 S HA -0.126 4.344 4.470 -0.000 0.000 0.222 279 S C 1.858 176.521 174.600 0.104 0.000 1.031 279 S CA 1.047 59.290 58.200 0.072 0.000 0.993 279 S CB -0.285 62.957 63.200 0.071 0.000 0.859 279 S HN 0.277 nan 8.310 nan 0.000 0.453 280 R N 1.153 121.696 120.500 0.072 0.000 2.103 280 R HA -0.122 4.218 4.340 -0.000 0.000 0.242 280 R C 2.377 178.751 176.300 0.123 0.000 1.142 280 R CA 1.474 57.604 56.100 0.049 0.000 0.960 280 R CB -0.145 30.154 30.300 -0.001 0.000 0.858 280 R HN 0.330 nan 8.270 nan 0.000 0.439 281 R N -0.394 120.168 120.500 0.103 0.000 2.073 281 R HA -0.098 4.241 4.340 -0.000 0.000 0.234 281 R C 2.361 178.716 176.300 0.092 0.000 1.134 281 R CA 1.618 57.777 56.100 0.098 0.000 0.952 281 R CB -0.485 29.863 30.300 0.079 0.000 0.850 281 R HN 0.083 nan 8.270 nan 0.000 0.433 282 V N 1.132 121.089 119.914 0.072 0.000 2.287 282 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 282 V C 2.534 178.642 176.094 0.022 0.000 1.053 282 V CA 2.195 64.513 62.300 0.030 0.000 1.027 282 V CB -0.871 30.950 31.823 -0.003 0.000 0.646 282 V HN 0.493 nan 8.190 nan 0.000 0.447 283 H N 0.387 119.420 119.070 -0.061 0.000 2.352 283 H HA -0.187 4.369 4.556 -0.000 0.000 0.299 283 H C 1.985 177.286 175.328 -0.045 0.000 1.097 283 H CA 2.233 58.216 56.048 -0.109 0.000 1.311 283 H CB -0.168 29.563 29.762 -0.052 0.000 1.377 283 H HN 0.429 nan 8.280 nan 0.000 0.504 284 D N 0.282 120.789 120.400 0.178 0.000 2.149 284 D HA -0.080 4.560 4.640 -0.000 0.000 0.201 284 D C 2.598 178.922 176.300 0.041 0.000 0.972 284 D CA 0.791 54.855 54.000 0.107 0.000 0.835 284 D CB -0.183 40.716 40.800 0.166 0.000 0.966 284 D HN 0.243 nan 8.370 nan 0.000 0.476 285 V N 1.615 121.568 119.914 0.066 0.000 2.295 285 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 285 V C 2.575 178.769 176.094 0.167 0.000 1.049 285 V CA 1.856 64.229 62.300 0.123 0.000 1.024 285 V CB -0.841 31.054 31.823 0.120 0.000 0.648 285 V HN 0.178 nan 8.190 nan 0.000 0.447 286 A N -0.800 122.036 122.820 0.026 0.000 1.883 286 A HA -0.350 3.970 4.320 -0.000 0.000 0.217 286 A C 2.258 179.845 177.584 0.004 0.000 1.186 286 A CA 2.364 54.389 52.037 -0.020 0.000 0.624 286 A CB -0.665 18.243 19.000 -0.153 0.000 0.822 286 A HN 0.608 nan 8.150 nan 0.000 0.444 287 Q N 0.180 119.920 119.800 -0.100 0.000 2.096 287 Q HA -0.208 4.131 4.340 -0.000 0.000 0.204 287 Q C 2.240 178.230 176.000 -0.017 0.000 0.982 287 Q CA 2.436 58.179 55.803 -0.100 0.000 0.850 287 Q CB -0.240 28.393 28.738 -0.175 0.000 0.901 287 Q HN 0.804 nan 8.270 nan 0.000 0.422 288 S N -0.975 114.730 115.700 0.008 0.000 2.419 288 S HA -0.114 4.356 4.470 -0.000 0.000 0.233 288 S C 1.331 175.865 174.600 -0.109 0.000 1.016 288 S CA 0.811 58.983 58.200 -0.047 0.000 0.974 288 S CB -0.348 62.809 63.200 -0.072 0.000 0.786 288 S HN 0.443 nan 8.310 nan 0.000 0.492 289 F N 1.762 121.683 119.950 -0.047 0.000 2.765 289 F HA 0.396 4.922 4.527 -0.001 0.000 0.302 289 F C 1.857 177.633 175.800 -0.040 0.000 1.111 289 F CA 0.186 58.162 58.000 -0.040 0.000 1.359 289 F CB 0.115 39.088 39.000 -0.045 0.000 1.097 289 F HN 0.396 nan 8.300 nan 0.000 0.577 290 G N 1.014 109.876 108.800 0.104 0.000 2.176 290 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.252 290 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.252 290 G C 0.021 174.945 174.900 0.041 0.000 1.024 290 G CA 0.050 45.180 45.100 0.050 0.000 0.755 290 G HN 0.638 nan 8.290 nan 0.000 0.507 291 A N 0.661 123.500 122.820 0.032 0.000 2.288 291 A HA 0.890 5.210 4.320 -0.000 0.000 0.320 291 A C -1.546 176.000 177.584 -0.064 0.000 1.217 291 A CA -1.414 50.614 52.037 -0.014 0.000 0.840 291 A CB 1.922 20.895 19.000 -0.044 0.000 1.179 291 A HN 0.202 nan 8.150 nan 0.000 0.504 292 P HA 0.422 nan 4.420 nan 0.000 0.276 292 P C -0.204 177.016 177.300 -0.134 0.000 1.252 292 P CA -0.131 62.925 63.100 -0.072 0.000 0.802 292 P CB 1.258 32.968 31.700 0.018 0.000 1.035 293 V N -2.418 117.355 119.914 -0.234 0.000 3.103 293 V HA 0.837 4.957 4.120 -0.000 0.000 0.318 293 V C -0.772 175.233 176.094 -0.148 0.000 1.114 293 V CA -0.878 61.210 62.300 -0.354 0.000 1.020 293 V CB 2.161 33.592 31.823 -0.653 0.000 1.085 293 V HN 0.828 nan 8.190 nan 0.000 0.446 294 W N -0.358 120.834 121.300 -0.181 0.000 3.167 294 W HA 0.626 5.286 4.660 -0.000 0.000 0.324 294 W C -1.354 175.321 176.519 0.260 0.000 1.230 294 W CA -1.291 56.122 57.345 0.115 0.000 1.184 294 W CB 1.124 30.644 29.460 0.101 0.000 1.414 294 W HN 0.855 nan 8.180 nan 0.000 0.551 295 C N 3.312 123.038 119.300 0.711 0.000 2.442 295 C HA 0.608 5.068 4.460 -0.000 0.000 0.362 295 C C 1.273 176.456 174.990 0.322 0.000 1.242 295 C CA 0.659 59.948 59.018 0.452 0.000 1.741 295 C CB -1.054 26.851 27.740 0.275 0.000 2.378 295 C HN 0.787 nan 8.230 nan 0.000 0.549 296 G N 4.250 113.063 108.800 0.022 0.000 2.634 296 G HA2 0.543 4.502 3.960 -0.000 0.000 0.255 296 G HA3 0.543 4.502 3.960 -0.000 0.000 0.255 296 G C 0.113 175.064 174.900 0.085 0.000 1.205 296 G CA 0.179 45.298 45.100 0.032 0.000 0.884 296 G HN 1.180 nan 8.290 nan 0.000 0.549 297 G N -1.015 107.831 108.800 0.078 0.000 2.519 297 G HA2 0.507 4.467 3.960 -0.000 0.000 0.307 297 G HA3 0.507 4.467 3.960 -0.000 0.000 0.307 297 G C -0.209 174.652 174.900 -0.065 0.000 1.266 297 G CA -0.639 44.471 45.100 0.018 0.000 0.970 297 G HN 0.383 nan 8.290 nan 0.000 0.481 298 M N 2.329 121.869 119.600 -0.100 0.000 3.320 298 M HA 0.262 4.742 4.480 -0.000 0.000 0.414 298 M C 0.446 176.687 176.300 -0.097 0.000 1.553 298 M CA -0.214 55.002 55.300 -0.140 0.000 0.742 298 M CB -0.235 32.262 32.600 -0.171 0.000 1.434 298 M HN 0.589 nan 8.290 nan 0.000 0.505 299 L N 0.622 121.761 121.223 -0.139 0.000 3.678 299 L HA -0.274 4.066 4.340 -0.000 0.000 0.425 299 L C -0.248 176.641 176.870 0.031 0.000 1.240 299 L CA 0.602 55.333 54.840 -0.181 0.000 0.876 299 L CB -1.782 40.268 42.059 -0.015 0.000 1.766 299 L HN 0.392 nan 8.230 nan 0.000 0.917 300 E N 0.136 120.320 120.200 -0.026 0.000 2.349 300 E HA 0.407 4.756 4.350 -0.000 0.000 0.265 300 E C 0.742 177.487 176.600 0.242 0.000 1.064 300 E CA 0.298 56.751 56.400 0.087 0.000 0.886 300 E CB 0.863 30.578 29.700 0.024 0.000 1.036 300 E HN 0.370 nan 8.360 nan 0.000 0.413 301 S N 0.846 116.593 115.700 0.077 0.000 2.617 301 S HA 0.108 4.578 4.470 -0.000 0.000 0.255 301 S C 1.478 176.117 174.600 0.065 0.000 1.318 301 S CA -0.253 57.900 58.200 -0.078 0.000 0.978 301 S CB 0.761 63.804 63.200 -0.262 0.000 0.961 301 S HN 0.646 nan 8.310 nan 0.000 0.582 302 G N 0.065 108.894 108.800 0.048 0.000 2.479 302 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.220 302 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.220 302 G C 1.214 176.166 174.900 0.086 0.000 1.115 302 G CA 0.718 45.874 45.100 0.094 0.000 0.757 302 G HN 0.599 nan 8.290 nan 0.000 0.560 303 I N 1.751 122.364 120.570 0.071 0.000 2.090 303 I HA -0.081 4.088 4.170 -0.000 0.000 0.236 303 I C 3.080 179.323 176.117 0.210 0.000 1.064 303 I CA 1.553 62.927 61.300 0.122 0.000 1.324 303 I CB -1.602 36.454 38.000 0.094 0.000 1.044 303 I HN 0.224 nan 8.210 nan 0.000 0.399 304 G N 0.390 109.267 108.800 0.129 0.000 2.440 304 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.218 304 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.218 304 G C 1.931 176.910 174.900 0.132 0.000 1.154 304 G CA 0.859 46.024 45.100 0.109 0.000 0.767 304 G HN 0.312 nan 8.290 nan 0.000 0.552 305 R N 0.427 120.993 120.500 0.110 0.000 2.096 305 R HA 0.054 4.394 4.340 -0.000 0.000 0.235 305 R C 2.858 179.229 176.300 0.117 0.000 1.127 305 R CA 1.345 57.505 56.100 0.100 0.000 0.968 305 R CB -0.300 30.063 30.300 0.104 0.000 0.861 305 R HN 0.311 nan 8.270 nan 0.000 0.440 306 A N 0.251 123.147 122.820 0.127 0.000 1.898 306 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 306 A C 1.843 179.517 177.584 0.150 0.000 1.181 306 A CA 1.259 53.369 52.037 0.121 0.000 0.620 306 A CB -0.763 18.272 19.000 0.059 0.000 0.819 306 A HN 0.422 nan 8.150 nan 0.000 0.442 307 H N 0.125 119.264 119.070 0.115 0.000 2.319 307 H HA -0.119 4.437 4.556 -0.000 0.000 0.299 307 H C 1.939 177.370 175.328 0.171 0.000 1.092 307 H CA 1.805 57.951 56.048 0.164 0.000 1.302 307 H CB -0.132 29.729 29.762 0.164 0.000 1.373 307 H HN 0.439 nan 8.280 nan 0.000 0.497 308 N N 0.838 119.660 118.700 0.203 0.000 2.069 308 N HA -0.116 4.623 4.740 -0.000 0.000 0.191 308 N C 2.213 177.724 175.510 0.002 0.000 1.031 308 N CA 0.795 53.893 53.050 0.080 0.000 0.852 308 N CB -0.534 37.986 38.487 0.057 0.000 1.018 308 N HN 0.340 nan 8.380 nan 0.000 0.423 309 I N 0.619 121.205 120.570 0.027 0.000 2.163 309 I HA -0.292 3.878 4.170 -0.000 0.000 0.243 309 I C 2.216 178.243 176.117 -0.151 0.000 1.085 309 I CA 1.189 62.451 61.300 -0.064 0.000 1.347 309 I CB -0.348 37.623 38.000 -0.049 0.000 1.044 309 I HN 0.297 nan 8.210 nan 0.000 0.408 310 H N -0.002 118.995 119.070 -0.122 0.000 2.321 310 H HA -0.187 4.369 4.556 -0.000 0.000 0.300 310 H C 2.216 177.408 175.328 -0.227 0.000 1.087 310 H CA 1.803 57.747 56.048 -0.174 0.000 1.319 310 H CB -0.212 29.425 29.762 -0.209 0.000 1.379 310 H HN 0.218 nan 8.280 nan 0.000 0.501 311 L N 0.983 122.164 121.223 -0.069 0.000 2.079 311 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 311 L C 2.193 178.723 176.870 -0.566 0.000 1.081 311 L CA 1.422 56.157 54.840 -0.176 0.000 0.752 311 L CB -0.527 41.544 42.059 0.020 0.000 0.896 311 L HN -0.022 nan 8.230 nan 0.000 0.433 312 S N -1.787 113.496 115.700 -0.695 0.000 2.507 312 S HA -0.148 4.322 4.470 -0.000 0.000 0.235 312 S C 1.892 176.169 174.600 -0.539 0.000 0.988 312 S CA 0.975 58.536 58.200 -1.064 0.000 0.944 312 S CB -0.819 62.048 63.200 -0.554 0.000 0.762 312 S HN 0.619 nan 8.310 nan 0.000 0.526 313 C N 1.197 120.292 119.300 -0.342 0.000 2.456 313 C HA 0.176 4.636 4.460 -0.000 0.000 0.279 313 C C 0.956 175.866 174.990 -0.132 0.000 1.427 313 C CA -0.513 58.384 59.018 -0.202 0.000 1.778 313 C CB -1.462 26.162 27.740 -0.194 0.000 1.842 313 C HN 0.351 nan 8.230 nan 0.000 0.531 314 L N 1.637 122.807 121.223 -0.088 0.000 2.461 314 L HA 0.066 4.406 4.340 -0.000 0.000 0.272 314 L C 1.772 178.814 176.870 0.287 0.000 1.197 314 L CA 0.824 55.675 54.840 0.018 0.000 0.836 314 L CB 0.411 42.321 42.059 -0.248 0.000 1.105 314 L HN 0.290 nan 8.230 nan 0.000 0.477 315 S N 0.801 116.657 115.700 0.261 0.000 2.447 315 S HA -0.137 4.333 4.470 -0.000 0.000 0.233 315 S C 1.278 176.026 174.600 0.247 0.000 1.006 315 S CA 1.106 59.425 58.200 0.198 0.000 0.957 315 S CB -0.493 62.771 63.200 0.107 0.000 0.773 315 S HN 0.775 nan 8.310 nan 0.000 0.507 316 N N -0.212 118.703 118.700 0.358 0.000 2.398 316 N HA 0.093 4.833 4.740 -0.000 0.000 0.188 316 N C -0.912 174.573 175.510 -0.041 0.000 1.122 316 N CA -0.217 52.792 53.050 -0.067 0.000 0.866 316 N CB -0.027 38.070 38.487 -0.649 0.000 0.970 316 N HN 0.341 nan 8.380 nan 0.000 0.462 317 F N 1.433 121.492 119.950 0.181 0.000 2.685 317 F HA 0.168 4.695 4.527 -0.000 0.000 0.349 317 F C 1.468 177.340 175.800 0.120 0.000 1.294 317 F CA 0.055 58.148 58.000 0.156 0.000 1.201 317 F CB 0.238 39.327 39.000 0.147 0.000 1.615 317 F HN -0.105 nan 8.300 nan 0.000 0.674 318 R N 1.177 121.788 120.500 0.185 0.000 2.334 318 R HA 0.301 4.641 4.340 -0.000 0.000 0.212 318 R C -0.117 176.270 176.300 0.146 0.000 0.897 318 R CA 0.157 56.340 56.100 0.139 0.000 1.056 318 R CB 0.451 30.799 30.300 0.079 0.000 1.046 318 R HN 0.391 nan 8.270 nan 0.000 0.513 319 L N 0.928 122.273 121.223 0.203 0.000 2.341 319 L HA 0.507 4.846 4.340 -0.000 0.000 0.267 319 L C -2.435 174.547 176.870 0.186 0.000 1.009 319 L CA -2.647 52.292 54.840 0.165 0.000 0.819 319 L CB 1.913 44.076 42.059 0.174 0.000 1.323 319 L HN -0.258 nan 8.230 nan 0.000 0.425 320 P HA 0.133 nan 4.420 nan 0.000 0.271 320 P C -0.238 177.128 177.300 0.110 0.000 1.216 320 P CA -0.149 63.003 63.100 0.088 0.000 0.776 320 P CB 0.700 32.415 31.700 0.026 0.000 0.881 321 G N 0.813 109.748 108.800 0.224 0.000 2.502 321 G HA2 0.172 4.131 3.960 -0.000 0.000 0.305 321 G HA3 0.172 4.131 3.960 -0.000 0.000 0.305 321 G C -0.110 174.927 174.900 0.228 0.000 1.190 321 G CA -0.405 44.912 45.100 0.362 0.000 0.933 321 G HN 0.314 nan 8.290 nan 0.000 0.503 322 D N 0.093 120.683 120.400 0.317 0.000 2.413 322 D HA 0.105 4.745 4.640 -0.000 0.000 0.237 322 D C 0.919 177.311 176.300 0.154 0.000 1.171 322 D CA 0.330 54.447 54.000 0.195 0.000 0.839 322 D CB 0.061 41.023 40.800 0.270 0.000 0.950 322 D HN 0.168 nan 8.370 nan 0.000 0.499 323 T N 0.231 114.879 114.554 0.155 0.000 3.591 323 T HA 0.133 4.483 4.350 -0.000 0.000 0.232 323 T C 0.928 175.735 174.700 0.179 0.000 1.116 323 T CA -0.452 61.734 62.100 0.143 0.000 1.063 323 T CB -0.153 68.784 68.868 0.114 0.000 1.227 323 T HN 0.055 nan 8.240 nan 0.000 0.685 324 S N 0.649 116.472 115.700 0.205 0.000 2.640 324 S HA 0.411 4.880 4.470 -0.000 0.000 0.262 324 S C 0.575 175.359 174.600 0.307 0.000 1.232 324 S CA -0.946 57.405 58.200 0.251 0.000 0.988 324 S CB 0.335 63.534 63.200 -0.001 0.000 1.034 324 S HN 0.314 nan 8.310 nan 0.000 0.569 325 S N 0.636 116.506 115.700 0.282 0.000 2.549 325 S HA 0.352 4.822 4.470 -0.000 0.000 0.286 325 S C 1.514 176.269 174.600 0.258 0.000 1.314 325 S CA -0.153 58.178 58.200 0.218 0.000 1.062 325 S CB 0.610 63.905 63.200 0.158 0.000 0.865 325 S HN 0.877 nan 8.310 nan 0.000 0.498 326 A N 3.115 126.096 122.820 0.269 0.000 1.933 326 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 326 A C 2.241 179.978 177.584 0.255 0.000 1.175 326 A CA 1.752 54.000 52.037 0.351 0.000 0.628 326 A CB -0.899 18.305 19.000 0.340 0.000 0.814 326 A HN 0.911 nan 8.150 nan 0.000 0.444 327 S N -0.688 115.103 115.700 0.151 0.000 2.555 327 S HA -0.050 4.419 4.470 -0.000 0.000 0.230 327 S C 1.708 176.289 174.600 -0.031 0.000 0.978 327 S CA 0.724 58.972 58.200 0.080 0.000 0.934 327 S CB -0.413 62.822 63.200 0.058 0.000 0.766 327 S HN 0.599 nan 8.310 nan 0.000 0.533 328 R N -0.698 119.724 120.500 -0.129 0.000 2.189 328 R HA 0.043 4.383 4.340 -0.000 0.000 0.218 328 R C 1.117 177.085 176.300 -0.553 0.000 1.074 328 R CA 1.467 57.341 56.100 -0.377 0.000 0.991 328 R CB -0.176 29.736 30.300 -0.647 0.000 0.883 328 R HN 0.619 nan 8.270 nan 0.000 0.457 329 Y N -2.510 117.534 120.300 -0.426 0.000 2.609 329 Y HA 0.121 4.671 4.550 -0.000 0.000 0.281 329 Y C 0.314 175.746 175.900 -0.780 0.000 1.132 329 Y CA -0.277 57.296 58.100 -0.879 0.000 1.264 329 Y CB 0.473 37.969 38.460 -1.607 0.000 1.325 329 Y HN -0.059 nan 8.280 nan 0.000 0.514 330 W N 0.603 122.009 121.300 0.178 0.000 2.819 330 W HA 0.424 5.084 4.660 -0.000 0.000 0.337 330 W C 0.688 177.239 176.519 0.055 0.000 1.077 330 W CA -0.761 56.649 57.345 0.109 0.000 1.226 330 W CB 1.093 30.624 29.460 0.118 0.000 1.419 330 W HN -0.206 nan 8.180 nan 0.000 0.502 331 E N 0.861 121.226 120.200 0.274 0.000 2.152 331 E HA -0.071 4.279 4.350 -0.000 0.000 0.192 331 E C 0.503 177.151 176.600 0.080 0.000 0.983 331 E CA 0.878 57.358 56.400 0.134 0.000 0.818 331 E CB 0.418 30.174 29.700 0.094 0.000 0.758 331 E HN 0.269 nan 8.360 nan 0.000 0.467 332 R N 0.804 121.358 120.500 0.089 0.000 2.548 332 R HA 0.109 4.449 4.340 -0.000 0.000 0.280 332 R C -1.600 174.688 176.300 -0.020 0.000 1.061 332 R CA -0.489 55.535 56.100 -0.125 0.000 0.915 332 R CB 1.554 31.502 30.300 -0.587 0.000 1.210 332 R HN -0.148 nan 8.270 nan 0.000 0.442 333 D N 2.717 123.112 120.400 -0.009 0.000 2.348 333 D HA 0.168 4.807 4.640 -0.000 0.000 0.249 333 D C 1.073 177.411 176.300 0.065 0.000 1.110 333 D CA -0.362 53.634 54.000 -0.005 0.000 0.967 333 D CB 1.362 42.214 40.800 0.087 0.000 1.139 333 D HN 0.550 nan 8.370 nan 0.000 0.466 334 L N 1.168 122.409 121.223 0.029 0.000 2.478 334 L HA 0.107 4.447 4.340 -0.000 0.000 0.223 334 L C 1.029 177.955 176.870 0.092 0.000 1.140 334 L CA 0.318 55.223 54.840 0.108 0.000 0.842 334 L CB -0.406 41.636 42.059 -0.029 0.000 0.953 334 L HN 0.355 nan 8.230 nan 0.000 0.452 335 I N -4.590 116.014 120.570 0.058 0.000 2.822 335 I HA 0.208 4.377 4.170 -0.000 0.000 0.312 335 I C 0.760 176.903 176.117 0.042 0.000 1.011 335 I CA -0.768 60.562 61.300 0.050 0.000 1.105 335 I CB 1.220 39.245 38.000 0.043 0.000 1.291 335 I HN -0.090 nan 8.210 nan 0.000 0.474 336 Q N 0.869 120.690 119.800 0.035 0.000 2.137 336 Q HA 0.009 4.349 4.340 -0.000 0.000 0.198 336 Q C -0.264 175.748 176.000 0.019 0.000 0.960 336 Q CA 1.039 56.855 55.803 0.022 0.000 0.847 336 Q CB -0.015 28.736 28.738 0.022 0.000 0.915 336 Q HN 0.645 nan 8.270 nan 0.000 0.448 337 E N 1.887 122.103 120.200 0.027 0.000 2.331 337 E HA 0.131 4.481 4.350 -0.000 0.000 0.272 337 E C -2.295 174.329 176.600 0.040 0.000 1.036 337 E CA -1.910 54.507 56.400 0.028 0.000 0.864 337 E CB 0.371 30.088 29.700 0.029 0.000 1.035 337 E HN 0.048 nan 8.360 nan 0.000 0.408 338 P HA 0.140 nan 4.420 nan 0.000 0.275 338 P C -0.757 176.580 177.300 0.061 0.000 1.228 338 P CA -0.167 62.964 63.100 0.051 0.000 0.786 338 P CB 0.697 32.419 31.700 0.037 0.000 0.927 339 L N 2.352 123.626 121.223 0.086 0.000 2.470 339 L HA 0.334 4.673 4.340 -0.000 0.000 0.253 339 L C 0.122 177.052 176.870 0.100 0.000 1.163 339 L CA -0.228 54.666 54.840 0.089 0.000 0.932 339 L CB 0.814 42.940 42.059 0.111 0.000 1.213 339 L HN 0.201 nan 8.230 nan 0.000 0.485 340 E N 1.876 122.119 120.200 0.071 0.000 2.187 340 E HA 0.642 4.992 4.350 -0.000 0.000 0.268 340 E C -0.541 176.085 176.600 0.043 0.000 0.896 340 E CA -0.495 55.946 56.400 0.067 0.000 0.766 340 E CB 2.952 32.678 29.700 0.044 0.000 1.142 340 E HN 0.407 nan 8.360 nan 0.000 0.408 341 A N 2.136 124.986 122.820 0.051 0.000 2.304 341 A HA 0.623 4.943 4.320 -0.000 0.000 0.301 341 A C -0.387 177.148 177.584 -0.081 0.000 1.132 341 A CA -0.534 51.505 52.037 0.002 0.000 0.819 341 A CB 0.828 19.858 19.000 0.051 0.000 1.094 341 A HN 0.322 nan 8.150 nan 0.000 0.492 342 V N 1.835 121.689 119.914 -0.099 0.000 2.638 342 V HA 0.394 4.513 4.120 -0.000 0.000 0.306 342 V C -0.045 175.964 176.094 -0.141 0.000 1.052 342 V CA 0.245 62.468 62.300 -0.128 0.000 0.885 342 V CB 1.482 33.259 31.823 -0.077 0.000 0.999 342 V HN 1.157 nan 8.190 nan 0.000 0.424 343 D N 3.751 124.041 120.400 -0.184 0.000 2.751 343 D HA -0.175 4.464 4.640 -0.000 0.000 0.233 343 D C 1.202 177.415 176.300 -0.146 0.000 1.149 343 D CA 2.135 56.043 54.000 -0.153 0.000 0.682 343 D CB -1.042 39.706 40.800 -0.087 0.000 1.068 343 D HN 1.722 nan 8.370 nan 0.000 0.429 344 G N -1.351 107.310 108.800 -0.232 0.000 2.153 344 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.252 344 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.252 344 G C 0.219 175.104 174.900 -0.025 0.000 0.994 344 G CA 0.441 45.472 45.100 -0.114 0.000 0.698 344 G HN 0.612 nan 8.290 nan 0.000 0.521 345 L N -0.319 120.877 121.223 -0.045 0.000 2.325 345 L HA 0.722 5.061 4.340 -0.000 0.000 0.281 345 L C 0.113 176.977 176.870 -0.009 0.000 1.004 345 L CA -1.066 53.765 54.840 -0.015 0.000 0.823 345 L CB 1.838 43.884 42.059 -0.021 0.000 1.236 345 L HN 0.150 nan 8.230 nan 0.000 0.415 346 M N 7.366 126.972 119.600 0.010 0.000 2.088 346 M HA 0.497 4.977 4.480 -0.000 0.000 0.346 346 M C -2.500 173.791 176.300 -0.016 0.000 1.111 346 M CA -2.180 53.127 55.300 0.013 0.000 1.017 346 M CB 1.096 33.721 32.600 0.041 0.000 1.568 346 M HN 0.122 nan 8.290 nan 0.000 0.445 347 P HA 0.131 nan 4.420 nan 0.000 0.274 347 P C -0.941 176.319 177.300 -0.068 0.000 1.237 347 P CA -0.390 62.686 63.100 -0.040 0.000 0.793 347 P CB 0.593 32.276 31.700 -0.028 0.000 0.977 348 V N 3.817 123.665 119.914 -0.109 0.000 2.455 348 V HA 0.134 4.254 4.120 -0.000 0.000 0.273 348 V C -1.706 174.315 176.094 -0.121 0.000 1.045 348 V CA -1.304 60.879 62.300 -0.196 0.000 0.976 348 V CB 0.054 31.705 31.823 -0.285 0.000 0.993 348 V HN 0.579 nan 8.190 nan 0.000 0.475 349 P HA 0.145 nan 4.420 nan 0.000 0.267 349 P C -0.401 176.923 177.300 0.040 0.000 1.209 349 P CA -0.052 63.056 63.100 0.013 0.000 0.763 349 P CB 0.458 32.195 31.700 0.062 0.000 0.816 350 Q N 1.287 121.098 119.800 0.018 0.000 2.354 350 Q HA 0.542 4.882 4.340 -0.000 0.000 0.244 350 Q C 0.753 176.767 176.000 0.024 0.000 0.969 350 Q CA 0.203 56.017 55.803 0.018 0.000 0.885 350 Q CB 0.735 29.474 28.738 0.002 0.000 1.241 350 Q HN 0.802 nan 8.270 nan 0.000 0.461 351 G N 1.318 110.128 108.800 0.017 0.000 2.371 351 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.663 351 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.663 351 G C -3.035 171.853 174.900 -0.019 0.000 1.311 351 G CA -1.176 43.921 45.100 -0.004 0.000 0.985 351 G HN 0.477 nan 8.290 nan 0.000 0.566 352 P HA 0.497 nan 4.420 nan 0.000 0.276 352 P C 1.300 178.522 177.300 -0.130 0.000 1.244 352 P CA 1.472 64.522 63.100 -0.084 0.000 0.801 352 P CB 0.933 32.581 31.700 -0.086 0.000 1.006 353 G N 1.892 110.587 108.800 -0.176 0.000 2.634 353 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.309 353 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.309 353 G C 1.142 175.740 174.900 -0.504 0.000 1.265 353 G CA 1.488 46.428 45.100 -0.267 0.000 0.998 353 G HN 0.723 nan 8.290 nan 0.000 0.551 354 T N -0.815 113.426 114.554 -0.521 0.000 3.007 354 T HA 0.317 4.667 4.350 -0.000 0.000 0.270 354 T C 2.687 177.242 174.700 -0.242 0.000 1.107 354 T CA 1.823 63.535 62.100 -0.647 0.000 1.118 354 T CB -0.460 68.107 68.868 -0.501 0.000 0.889 354 T HN 2.772 nan 8.240 nan 0.000 0.506 355 G N 0.723 109.443 108.800 -0.134 0.000 2.168 355 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.257 355 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.257 355 G C 0.177 175.081 174.900 0.006 0.000 0.997 355 G CA 0.546 45.646 45.100 0.000 0.000 0.708 355 G HN 1.624 nan 8.290 nan 0.000 0.520 356 V N -3.959 115.940 119.914 -0.025 0.000 3.074 356 V HA 1.015 5.134 4.120 -0.000 0.000 0.314 356 V C -0.139 175.951 176.094 -0.008 0.000 1.117 356 V CA -0.255 62.043 62.300 -0.002 0.000 1.014 356 V CB 2.251 34.083 31.823 0.015 0.000 1.057 356 V HN 0.646 nan 8.190 nan 0.000 0.438 357 T N 2.783 117.342 114.554 0.009 0.000 2.991 357 T HA 0.543 4.893 4.350 -0.000 0.000 0.303 357 T C -0.459 174.256 174.700 0.025 0.000 1.015 357 T CA -0.455 61.652 62.100 0.012 0.000 1.007 357 T CB 1.284 70.160 68.868 0.013 0.000 1.034 357 T HN 0.785 nan 8.240 nan 0.000 0.446 358 L N 2.690 123.929 121.223 0.026 0.000 2.525 358 L HA 0.127 4.466 4.340 -0.000 0.000 0.278 358 L C 0.701 177.601 176.870 0.049 0.000 1.218 358 L CA -0.108 54.753 54.840 0.036 0.000 0.878 358 L CB 0.298 42.375 42.059 0.030 0.000 1.127 358 L HN 0.662 nan 8.230 nan 0.000 0.492 359 D N 3.572 124.017 120.400 0.075 0.000 2.453 359 D HA 0.051 4.691 4.640 -0.000 0.000 0.223 359 D C 1.093 177.454 176.300 0.101 0.000 1.183 359 D CA -0.207 53.852 54.000 0.099 0.000 0.933 359 D CB 0.629 41.516 40.800 0.145 0.000 1.038 359 D HN 0.321 nan 8.370 nan 0.000 0.513 360 R N 2.412 122.951 120.500 0.065 0.000 2.092 360 R HA -0.081 4.259 4.340 -0.000 0.000 0.231 360 R C 1.517 177.841 176.300 0.039 0.000 1.119 360 R CA 0.797 56.922 56.100 0.043 0.000 0.970 360 R CB 0.089 30.410 30.300 0.035 0.000 0.864 360 R HN 0.596 nan 8.270 nan 0.000 0.440 361 E N -0.257 119.982 120.200 0.064 0.000 2.031 361 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 361 E C 1.754 178.410 176.600 0.093 0.000 0.994 361 E CA 1.287 57.728 56.400 0.068 0.000 0.800 361 E CB -0.246 29.504 29.700 0.084 0.000 0.752 361 E HN 0.223 nan 8.360 nan 0.000 0.447 362 F N 1.208 121.156 119.950 -0.003 0.000 2.102 362 F HA -0.236 4.290 4.527 -0.000 0.000 0.298 362 F C 2.224 178.015 175.800 -0.015 0.000 1.105 362 F CA 0.816 58.812 58.000 -0.007 0.000 1.239 362 F CB -0.092 38.903 39.000 -0.008 0.000 0.991 362 F HN 0.018 nan 8.300 nan 0.000 0.474 363 L N 1.331 122.450 121.223 -0.173 0.000 2.021 363 L HA -0.231 4.108 4.340 -0.000 0.000 0.215 363 L C 2.504 179.229 176.870 -0.242 0.000 1.074 363 L CA 2.206 56.895 54.840 -0.251 0.000 0.760 363 L CB -1.471 40.536 42.059 -0.088 0.000 0.889 363 L HN 0.217 nan 8.230 nan 0.000 0.433 364 A N -1.247 121.490 122.820 -0.139 0.000 1.948 364 A HA -0.295 4.025 4.320 -0.000 0.000 0.220 364 A C 2.368 179.871 177.584 -0.136 0.000 1.177 364 A CA 2.714 54.688 52.037 -0.104 0.000 0.636 364 A CB -1.500 17.471 19.000 -0.050 0.000 0.815 364 A HN 0.686 nan 8.150 nan 0.000 0.449 365 T N -2.117 112.326 114.554 -0.184 0.000 2.962 365 T HA -0.030 4.320 4.350 -0.000 0.000 0.270 365 T C 1.167 175.736 174.700 -0.219 0.000 1.088 365 T CA 1.636 63.634 62.100 -0.170 0.000 1.127 365 T CB -0.607 68.194 68.868 -0.113 0.000 0.883 365 T HN 0.914 nan 8.240 nan 0.000 0.493 366 V N -2.012 117.701 119.914 -0.335 0.000 3.276 366 V HA 0.393 4.513 4.120 -0.000 0.000 0.319 366 V C 0.409 176.395 176.094 -0.180 0.000 1.427 366 V CA -0.690 61.452 62.300 -0.264 0.000 1.102 366 V CB -0.616 30.985 31.823 -0.369 0.000 1.020 366 V HN 0.217 nan 8.190 nan 0.000 0.456 367 T N 3.022 117.483 114.554 -0.155 0.000 2.884 367 T HA 0.285 4.635 4.350 -0.000 0.000 0.298 367 T C 1.034 175.685 174.700 -0.081 0.000 0.998 367 T CA 0.714 62.750 62.100 -0.107 0.000 1.124 367 T CB 1.304 70.119 68.868 -0.087 0.000 0.931 367 T HN 0.843 nan 8.240 nan 0.000 0.531 368 E N 1.370 121.530 120.200 -0.067 0.000 2.514 368 E HA 0.499 4.848 4.350 -0.000 0.000 0.215 368 E C 0.236 176.811 176.600 -0.042 0.000 0.946 368 E CA -0.494 55.873 56.400 -0.055 0.000 1.038 368 E CB 0.662 30.327 29.700 -0.058 0.000 1.069 368 E HN 0.518 nan 8.360 nan 0.000 0.503 369 A N 1.442 124.240 122.820 -0.038 0.000 2.574 369 A HA 0.542 4.861 4.320 -0.000 0.000 0.297 369 A C -1.638 175.932 177.584 -0.022 0.000 1.062 369 A CA -0.768 51.252 52.037 -0.027 0.000 0.686 369 A CB 1.567 20.555 19.000 -0.019 0.000 1.285 369 A HN 0.249 nan 8.150 nan 0.000 0.403 370 Q N 0.674 120.462 119.800 -0.019 0.000 2.472 370 Q HA 0.708 5.048 4.340 -0.000 0.000 0.281 370 Q C -1.377 174.607 176.000 -0.026 0.000 0.997 370 Q CA -0.821 54.974 55.803 -0.014 0.000 0.828 370 Q CB 1.851 30.578 28.738 -0.017 0.000 1.443 370 Q HN 0.886 nan 8.270 nan 0.000 0.390 371 E N 0.740 120.923 120.200 -0.028 0.000 2.375 371 E HA 0.471 4.820 4.350 -0.000 0.000 0.280 371 E C -1.517 175.004 176.600 -0.131 0.000 0.972 371 E CA -0.937 55.400 56.400 -0.105 0.000 0.782 371 E CB 2.507 32.140 29.700 -0.112 0.000 1.229 371 E HN 0.659 nan 8.360 nan 0.000 0.439 372 E N 1.457 121.516 120.200 -0.236 0.000 2.227 372 E HA 0.328 4.678 4.350 -0.000 0.000 0.268 372 E C -1.237 175.139 176.600 -0.373 0.000 0.907 372 E CA -0.748 55.549 56.400 -0.171 0.000 0.786 372 E CB 1.342 30.997 29.700 -0.076 0.000 1.191 372 E HN 0.502 nan 8.360 nan 0.000 0.411 373 H N 2.675 121.772 119.070 0.044 0.000 2.679 373 H HA 0.486 5.042 4.556 -0.000 0.000 0.360 373 H C -0.515 174.842 175.328 0.050 0.000 1.105 373 H CA -0.682 55.391 56.048 0.041 0.000 1.196 373 H CB 1.759 31.548 29.762 0.044 0.000 1.636 373 H HN 0.436 nan 8.280 nan 0.000 0.531 374 R N 0.425 121.013 120.500 0.146 0.000 2.888 374 R HA 0.643 4.983 4.340 -0.000 0.000 0.264 374 R C -0.187 176.169 176.300 0.093 0.000 1.045 374 R CA -0.784 55.376 56.100 0.100 0.000 0.962 374 R CB 2.001 32.333 30.300 0.054 0.000 1.210 374 R HN 0.672 nan 8.270 nan 0.000 0.479 375 A N 0.000 122.865 122.820 0.074 0.000 2.254 375 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 375 A CA 0.000 52.073 52.037 0.059 0.000 0.836 375 A CB 0.000 19.027 19.000 0.046 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486