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 1b3r_1_D DATA FIRST_RESID 4 DATA SEQUENCE LPYKVADIGL AAWGRKALDI AENEMPGLMR MREMYSASKP LKGARIAGCL DATA SEQUENCE HMTVETAVLI ETLVALGAEV RWSSCNIFST QDHAAAAIAK AGIPVFAWKG DATA SEQUENCE ETDEEYLWCI EQTLHFKDGP LNMILDDGGD LTNLIHTKHP QLLSGIRGIS DATA SEQUENCE EETTTGVHNL YKMMANGILK VPAINVNDSV TKSKFDNLYG CRESLIDGIK DATA SEQUENCE RATDVMIAGK VAVVAGYGDV GKGCAQALRG FGARVIITEI DPINALQAAM DATA SEQUENCE EGYEVTTMDE ACKEGNIFVT TTGCVDIILG RHFEQMKDDA IVCNIGHFDV DATA SEQUENCE EIDVKWLNEN AVEKVNIKPQ VDRYLLKNGH RIILLAEGRL VNLGCAMGHP DATA SEQUENCE SFVMSNSFTN QVMAQIELWT HPDKYPVGVH FLPKKLDEAV AEAHLGKLNV DATA SEQUENCE KLTKLTEKQA QYLGMPINGP FKPDHYRY 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.952 176.870 0.137 0.000 1.165 4 L CA 0.000 54.911 54.840 0.118 0.000 0.813 4 L CB 0.000 42.221 42.059 0.270 0.000 0.961 5 P HA 0.039 nan 4.420 nan 0.000 0.238 5 P C -1.712 175.557 177.300 -0.052 0.000 1.183 5 P CA 0.536 63.611 63.100 -0.042 0.000 0.813 5 P CB 1.026 32.626 31.700 -0.167 0.000 0.944 6 Y N -7.202 113.007 120.300 -0.152 0.000 2.852 6 Y HA 0.141 nan 4.550 nan 0.000 0.350 6 Y C -2.224 173.556 175.900 -0.201 0.000 1.272 6 Y CA -2.033 55.701 58.100 -0.609 0.000 1.086 6 Y CB 0.373 38.609 38.460 -0.373 0.000 1.408 6 Y HN -0.916 7.173 8.280 -0.318 0.000 0.447 7 K N -0.411 120.132 120.400 0.237 0.000 2.767 7 K HA 0.180 nan 4.320 nan 0.000 0.286 7 K C -2.957 173.912 176.600 0.448 0.000 1.177 7 K CA -0.446 56.111 56.287 0.450 0.000 1.078 7 K CB 1.931 34.904 32.500 0.787 0.000 1.358 7 K HN 0.489 8.725 8.250 -0.024 0.000 0.531 8 V N 3.032 123.126 119.914 0.300 0.000 2.715 8 V HA 0.454 nan 4.120 nan 0.000 0.310 8 V C -0.645 175.526 176.094 0.128 0.000 1.054 8 V CA -2.449 59.996 62.300 0.242 0.000 0.928 8 V CB 2.726 34.577 31.823 0.046 0.000 1.007 8 V HN -0.128 8.262 8.190 0.334 0.000 0.437 9 A N 5.235 128.167 122.820 0.187 0.000 1.978 9 A HA -0.220 nan 4.320 nan 0.000 0.220 9 A C -0.583 177.025 177.584 0.039 0.000 1.170 9 A CA 2.387 54.454 52.037 0.050 0.000 0.636 9 A CB 0.478 19.595 19.000 0.195 0.000 0.810 9 A HN 0.540 8.910 8.150 0.367 0.000 0.448 10 D N -3.531 116.914 120.400 0.076 0.000 2.484 10 D HA 0.046 nan 4.640 nan 0.000 0.206 10 D C -0.612 175.723 176.300 0.058 0.000 1.322 10 D CA -0.511 53.530 54.000 0.068 0.000 0.913 10 D CB 1.555 42.408 40.800 0.089 0.000 1.559 10 D HN -0.772 7.633 8.370 0.097 0.023 0.565 11 I N 5.674 126.265 120.570 0.035 0.000 3.646 11 I HA 0.149 nan 4.170 nan 0.000 0.301 11 I C 0.217 176.352 176.117 0.029 0.000 1.276 11 I CA -0.900 60.391 61.300 -0.014 0.000 1.254 11 I CB 0.047 38.014 38.000 -0.055 0.000 1.020 11 I HN 0.521 8.763 8.210 0.054 0.000 0.473 12 G N 0.606 109.447 108.800 0.068 0.000 2.511 12 G HA2 -0.077 nan 3.960 nan 0.000 0.217 12 G HA3 -0.077 nan 3.960 nan 0.000 0.217 12 G C 0.622 175.608 174.900 0.144 0.000 1.133 12 G CA 1.519 46.671 45.100 0.088 0.000 0.792 12 G HN 0.054 8.603 8.290 0.072 -0.216 0.539 13 L N -0.832 120.507 121.223 0.194 0.000 2.599 13 L HA 0.142 nan 4.340 nan 0.000 0.230 13 L C 1.031 178.047 176.870 0.244 0.000 1.141 13 L CA -1.489 53.566 54.840 0.358 0.000 0.877 13 L CB -2.235 40.073 42.059 0.415 0.000 1.009 13 L HN -0.808 7.485 8.230 0.154 0.030 0.447 14 A N 1.002 123.886 122.820 0.106 0.000 1.881 14 A HA -0.464 nan 4.320 nan 0.000 0.219 14 A C 1.378 178.998 177.584 0.060 0.000 1.215 14 A CA 3.513 55.566 52.037 0.027 0.000 0.648 14 A CB -1.226 17.766 19.000 -0.014 0.000 0.832 14 A HN -0.528 7.491 8.150 0.086 0.183 0.455 15 A N -2.991 119.892 122.820 0.105 0.000 2.076 15 A HA -0.212 nan 4.320 nan 0.000 0.220 15 A C 1.951 179.658 177.584 0.206 0.000 1.160 15 A CA 2.457 54.563 52.037 0.115 0.000 0.653 15 A CB -0.733 18.327 19.000 0.100 0.000 0.801 15 A HN 0.336 8.549 8.150 0.104 0.000 0.455 16 W N -0.386 120.941 121.300 0.045 0.000 2.576 16 W HA -0.054 nan 4.660 nan 0.000 0.275 16 W C 1.369 177.960 176.519 0.120 0.000 1.241 16 W CA 0.728 58.124 57.345 0.086 0.000 1.328 16 W CB 0.340 29.862 29.460 0.104 0.000 1.092 16 W HN -0.208 8.045 8.180 0.381 0.156 0.586 17 G N 0.492 109.254 108.800 -0.064 0.000 2.421 17 G HA2 -0.529 nan 3.960 nan 0.000 0.216 17 G HA3 -0.529 nan 3.960 nan 0.000 0.216 17 G C 0.627 175.391 174.900 -0.228 0.000 1.171 17 G CA 2.013 46.882 45.100 -0.387 0.000 0.775 17 G HN 0.479 8.606 8.290 0.068 0.204 0.543 18 R N 1.358 121.802 120.500 -0.094 0.000 2.096 18 R HA -0.333 nan 4.340 nan 0.000 0.240 18 R C 1.895 178.182 176.300 -0.021 0.000 1.139 18 R CA 2.872 58.936 56.100 -0.059 0.000 0.952 18 R CB -0.508 29.781 30.300 -0.019 0.000 0.854 18 R HN 0.187 8.426 8.270 -0.053 0.000 0.436 19 K N -1.037 119.392 120.400 0.049 0.000 2.020 19 K HA -0.408 nan 4.320 nan 0.000 0.212 19 K C 2.312 178.948 176.600 0.060 0.000 1.050 19 K CA 3.118 59.462 56.287 0.094 0.000 0.929 19 K CB -0.305 32.322 32.500 0.211 0.000 0.714 19 K HN -0.740 7.485 8.250 0.087 0.077 0.443 20 A N -1.032 121.802 122.820 0.024 0.000 1.892 20 A HA -0.268 nan 4.320 nan 0.000 0.218 20 A C 2.239 179.795 177.584 -0.047 0.000 1.188 20 A CA 3.006 55.035 52.037 -0.013 0.000 0.631 20 A CB -0.828 18.091 19.000 -0.134 0.000 0.822 20 A HN -0.478 7.613 8.150 0.007 0.064 0.447 21 L N -2.513 118.649 121.223 -0.101 0.000 2.012 21 L HA -0.532 nan 4.340 nan 0.000 0.210 21 L C 2.221 179.066 176.870 -0.041 0.000 1.073 21 L CA 3.164 57.952 54.840 -0.087 0.000 0.748 21 L CB -0.876 41.113 42.059 -0.117 0.000 0.891 21 L HN 0.341 8.421 8.230 -0.142 0.065 0.431 22 D N -2.861 117.524 120.400 -0.025 0.000 2.309 22 D HA -0.218 nan 4.640 nan 0.000 0.212 22 D C 2.055 178.359 176.300 0.007 0.000 0.968 22 D CA 3.070 57.065 54.000 -0.008 0.000 0.882 22 D CB -0.342 40.459 40.800 0.002 0.000 0.918 22 D HN 0.242 8.597 8.370 -0.026 0.000 0.503 23 I N -1.453 119.126 120.570 0.015 0.000 2.628 23 I HA -0.136 nan 4.170 nan 0.000 0.255 23 I C 1.693 177.827 176.117 0.028 0.000 1.119 23 I CA 1.985 63.303 61.300 0.030 0.000 1.448 23 I CB 0.515 38.544 38.000 0.048 0.000 1.133 23 I HN -0.537 7.506 8.210 0.011 0.173 0.438 24 A N 0.149 122.981 122.820 0.021 0.000 1.972 24 A HA -0.289 nan 4.320 nan 0.000 0.219 24 A C 2.226 179.821 177.584 0.019 0.000 1.169 24 A CA 3.027 55.079 52.037 0.026 0.000 0.635 24 A CB -0.889 18.120 19.000 0.015 0.000 0.810 24 A HN -0.010 8.146 8.150 0.010 0.000 0.446 25 E N -1.519 118.682 120.200 0.002 0.000 2.097 25 E HA -0.458 nan 4.350 nan 0.000 0.196 25 E C 2.709 179.307 176.600 -0.003 0.000 1.000 25 E CA 3.267 59.661 56.400 -0.009 0.000 0.804 25 E CB -0.560 29.130 29.700 -0.018 0.000 0.740 25 E HN 0.121 8.461 8.360 -0.004 0.018 0.454 26 N N -1.137 117.571 118.700 0.013 0.000 2.205 26 N HA -0.232 nan 4.740 nan 0.000 0.186 26 N C 1.124 176.664 175.510 0.051 0.000 1.015 26 N CA 2.205 55.269 53.050 0.024 0.000 0.862 26 N CB 0.120 38.626 38.487 0.031 0.000 0.986 26 N HN -0.519 7.858 8.380 0.015 0.012 0.429 27 E N -3.616 116.624 120.200 0.067 0.000 2.463 27 E HA 0.098 nan 4.350 nan 0.000 0.193 27 E C -1.194 175.454 176.600 0.080 0.000 1.041 27 E CA -0.251 56.230 56.400 0.135 0.000 0.879 27 E CB 0.681 30.467 29.700 0.144 0.000 0.997 27 E HN -0.539 7.704 8.360 0.051 0.147 0.478 28 M N -0.985 118.607 119.600 -0.013 0.000 3.062 28 M HA 0.544 nan 4.480 nan 0.000 0.270 28 M C -2.312 173.887 176.300 -0.168 0.000 1.270 28 M CA -2.026 53.216 55.300 -0.096 0.000 0.702 28 M CB 0.019 32.597 32.600 -0.036 0.000 1.398 28 M HN -0.266 7.814 8.290 -0.005 0.207 0.490 29 P HA -0.116 nan 4.420 nan 0.000 0.219 29 P C 1.112 178.158 177.300 -0.423 0.000 1.146 29 P CA 2.956 65.881 63.100 -0.291 0.000 0.808 29 P CB -0.044 31.488 31.700 -0.280 0.000 0.779 30 G N -1.399 106.990 108.800 -0.686 0.000 2.418 30 G HA2 -0.282 nan 3.960 nan 0.000 0.217 30 G HA3 -0.282 nan 3.960 nan 0.000 0.217 30 G C 1.197 175.995 174.900 -0.170 0.000 1.158 30 G CA 2.045 46.830 45.100 -0.525 0.000 0.771 30 G HN -0.082 7.712 8.290 -0.759 0.040 0.545 31 L N 0.913 122.069 121.223 -0.111 0.000 2.156 31 L HA -0.215 nan 4.340 nan 0.000 0.208 31 L C 2.177 179.021 176.870 -0.042 0.000 1.095 31 L CA 2.487 57.306 54.840 -0.034 0.000 0.770 31 L CB -0.067 41.989 42.059 -0.005 0.000 0.914 31 L HN -0.420 7.627 8.230 -0.142 0.098 0.439 32 M N -2.360 117.194 119.600 -0.077 0.000 2.254 32 M HA -0.257 nan 4.480 nan 0.000 0.265 32 M C 2.558 178.823 176.300 -0.058 0.000 1.066 32 M CA 1.278 56.540 55.300 -0.062 0.000 1.123 32 M CB -1.577 30.981 32.600 -0.070 0.000 1.388 32 M HN -0.541 7.584 8.290 -0.111 0.098 0.425 33 R N -0.480 119.973 120.500 -0.077 0.000 2.093 33 R HA -0.208 nan 4.340 nan 0.000 0.224 33 R C 2.700 178.990 176.300 -0.015 0.000 1.101 33 R CA 3.097 59.159 56.100 -0.063 0.000 0.979 33 R CB -0.028 30.223 30.300 -0.081 0.000 0.877 33 R HN 0.216 8.417 8.270 -0.115 0.000 0.441 34 M N -1.426 118.205 119.600 0.051 0.000 2.149 34 M HA -0.299 nan 4.480 nan 0.000 0.261 34 M C 2.348 178.757 176.300 0.182 0.000 1.064 34 M CA 1.876 57.301 55.300 0.209 0.000 1.102 34 M CB -1.272 31.431 32.600 0.170 0.000 1.369 34 M HN -0.469 7.830 8.290 0.015 0.000 0.408 35 R N -1.014 119.525 120.500 0.065 0.000 2.064 35 R HA -0.336 nan 4.340 nan 0.000 0.228 35 R C 2.112 178.409 176.300 -0.006 0.000 1.144 35 R CA 3.898 60.020 56.100 0.037 0.000 0.932 35 R CB -0.284 30.018 30.300 0.004 0.000 0.833 35 R HN -0.440 7.847 8.270 0.033 0.004 0.429 36 E N -0.889 119.287 120.200 -0.040 0.000 2.331 36 E HA -0.293 nan 4.350 nan 0.000 0.199 36 E C 1.583 178.106 176.600 -0.128 0.000 1.008 36 E CA 2.424 58.785 56.400 -0.066 0.000 0.843 36 E CB -0.644 29.019 29.700 -0.062 0.000 0.761 36 E HN -0.387 7.952 8.360 -0.035 0.000 0.507 37 M N -2.398 117.080 119.600 -0.203 0.000 2.545 37 M HA -0.089 nan 4.480 nan 0.000 0.264 37 M C 0.128 176.008 176.300 -0.699 0.000 1.155 37 M CA 2.637 57.638 55.300 -0.499 0.000 1.162 37 M CB 2.072 34.256 32.600 -0.693 0.000 1.330 37 M HN -0.391 7.653 8.290 -0.133 0.166 0.479 38 Y N -5.599 114.704 120.300 0.006 0.000 2.610 38 Y HA 0.070 nan 4.550 nan 0.000 0.254 38 Y C 0.676 176.583 175.900 0.011 0.000 1.110 38 Y CA -0.913 57.195 58.100 0.015 0.000 1.238 38 Y CB 0.980 39.455 38.460 0.024 0.000 1.322 38 Y HN 0.131 8.196 8.280 -0.030 0.196 0.547 39 S N 2.276 118.038 115.700 0.103 0.000 2.383 39 S HA -0.376 nan 4.470 nan 0.000 0.227 39 S C 1.715 176.344 174.600 0.049 0.000 1.026 39 S CA 3.731 61.969 58.200 0.064 0.000 0.981 39 S CB -0.205 63.012 63.200 0.028 0.000 0.818 39 S HN 0.432 8.680 8.310 0.056 0.096 0.472 40 A N 1.580 124.421 122.820 0.034 0.000 1.872 40 A HA -0.195 nan 4.320 nan 0.000 0.214 40 A C 1.572 179.184 177.584 0.046 0.000 1.187 40 A CA 2.676 54.730 52.037 0.027 0.000 0.614 40 A CB -0.747 18.258 19.000 0.008 0.000 0.826 40 A HN 0.503 8.664 8.150 0.020 0.000 0.442 41 S N -2.113 113.628 115.700 0.069 0.000 2.481 41 S HA -0.203 nan 4.470 nan 0.000 0.231 41 S C 0.598 175.261 174.600 0.105 0.000 0.996 41 S CA 0.322 58.577 58.200 0.092 0.000 0.942 41 S CB 0.150 63.428 63.200 0.131 0.000 0.768 41 S HN -0.445 7.906 8.310 0.069 0.000 0.520 42 K N 1.129 121.596 120.400 0.112 0.000 4.040 42 K HA -0.207 nan 4.320 nan 0.000 0.279 42 K C -0.874 175.798 176.600 0.119 0.000 0.890 42 K CA 0.146 56.493 56.287 0.100 0.000 0.782 42 K CB -1.177 31.368 32.500 0.074 0.000 1.613 42 K HN -0.262 8.016 8.250 0.114 0.041 0.440 43 P HA -0.154 nan 4.420 nan 0.000 0.220 43 P C -0.347 177.100 177.300 0.245 0.000 1.148 43 P CA 2.188 65.366 63.100 0.130 0.000 0.803 43 P CB 0.195 31.912 31.700 0.029 0.000 0.782 44 L N -3.156 118.161 121.223 0.157 0.000 2.627 44 L HA 0.104 nan 4.340 nan 0.000 0.232 44 L C -0.582 176.314 176.870 0.043 0.000 1.150 44 L CA -1.061 53.807 54.840 0.047 0.000 0.917 44 L CB -0.722 41.256 42.059 -0.136 0.000 1.104 44 L HN -0.219 8.033 8.230 0.088 0.031 0.445 45 K N 0.553 121.078 120.400 0.209 0.000 2.405 45 K HA -0.397 nan 4.320 nan 0.000 0.276 45 K C 0.995 177.775 176.600 0.299 0.000 1.099 45 K CA 1.758 58.150 56.287 0.174 0.000 1.120 45 K CB -0.300 32.289 32.500 0.148 0.000 0.877 45 K HN -0.711 7.479 8.250 0.220 0.192 0.472 46 G N 6.278 115.154 108.800 0.127 0.000 2.259 46 G HA2 -0.378 nan 3.960 nan 0.000 0.217 46 G HA3 -0.378 nan 3.960 nan 0.000 0.217 46 G C -1.455 173.365 174.900 -0.133 0.000 1.001 46 G CA -0.285 44.924 45.100 0.181 0.000 0.627 46 G HN 0.098 8.396 8.290 0.015 0.000 0.501 47 A N 1.641 124.023 122.820 -0.729 0.000 2.425 47 A HA 0.015 nan 4.320 nan 0.000 0.249 47 A C -1.053 176.104 177.584 -0.713 0.000 1.084 47 A CA -0.025 51.203 52.037 -1.347 0.000 0.781 47 A CB 0.843 18.749 19.000 -1.822 0.000 1.019 47 A HN -0.190 7.551 8.150 -0.565 0.070 0.490 48 R N 2.118 122.175 120.500 -0.738 0.000 2.402 48 R HA 0.522 nan 4.340 nan 0.000 0.290 48 R C -0.999 174.917 176.300 -0.640 0.000 1.321 48 R CA -1.551 53.972 56.100 -0.960 0.000 1.283 48 R CB 0.593 29.956 30.300 -1.563 0.000 1.111 48 R HN 0.758 9.005 8.270 -0.750 -0.427 0.578 49 I N 4.159 124.591 120.570 -0.230 0.000 2.352 49 I HA 0.194 nan 4.170 nan 0.000 0.290 49 I C -1.838 174.395 176.117 0.194 0.000 1.036 49 I CA -0.301 60.977 61.300 -0.036 0.000 1.336 49 I CB 0.550 38.536 38.000 -0.024 0.000 1.407 49 I HN 0.933 9.031 8.210 -0.186 0.000 0.497 50 A N 8.199 131.063 122.820 0.072 0.000 2.260 50 A HA 0.780 nan 4.320 nan 0.000 0.314 50 A C -1.682 175.749 177.584 -0.255 0.000 1.257 50 A CA -1.700 50.327 52.037 -0.017 0.000 0.871 50 A CB 1.401 20.364 19.000 -0.062 0.000 1.166 50 A HN 0.479 8.616 8.150 -0.021 0.000 0.522 51 G N 0.998 109.484 108.800 -0.522 0.000 2.495 51 G HA2 0.626 nan 3.960 nan 0.000 0.318 51 G HA3 0.626 nan 3.960 nan 0.000 0.318 51 G C -2.845 171.212 174.900 -1.406 0.000 1.257 51 G CA -1.323 43.004 45.100 -1.288 0.000 0.962 51 G HN 0.162 8.238 8.290 -0.356 0.000 0.483 52 C N 6.336 125.014 119.300 -1.037 0.000 2.437 52 C HA 0.857 nan 4.460 nan 0.000 0.307 52 C C -2.237 172.428 174.990 -0.541 0.000 1.093 52 C CA -1.509 57.107 59.018 -0.670 0.000 1.463 52 C CB -0.318 27.191 27.740 -0.385 0.000 1.926 52 C HN 0.232 7.946 8.230 -0.861 0.000 0.420 53 L N 6.004 126.957 121.223 -0.450 0.000 2.549 53 L HA 0.465 nan 4.340 nan 0.000 0.259 53 L C -1.863 175.045 176.870 0.064 0.000 0.934 53 L CA -0.715 54.023 54.840 -0.170 0.000 0.865 53 L CB 4.728 46.827 42.059 0.067 0.000 1.352 53 L HN 0.653 8.567 8.230 -0.527 0.000 0.410 54 H N 4.255 123.419 119.070 0.157 0.000 3.232 54 H HA -0.309 nan 4.556 nan 0.000 0.276 54 H C -0.593 174.844 175.328 0.182 0.000 0.882 54 H CA 1.433 57.566 56.048 0.142 0.000 1.415 54 H CB -0.517 29.322 29.762 0.129 0.000 1.405 54 H HN 0.257 8.058 8.280 -0.800 0.000 0.543 55 M N 6.850 126.602 119.600 0.254 0.000 2.618 55 M HA 0.025 nan 4.480 nan 0.000 0.322 55 M C -1.611 174.744 176.300 0.090 0.000 1.471 55 M CA -1.390 54.006 55.300 0.161 0.000 1.450 55 M CB -1.135 31.551 32.600 0.144 0.000 1.444 55 M HN -0.342 8.082 8.290 0.223 0.000 0.471 56 T N 0.751 115.345 114.554 0.067 0.000 2.883 56 T HA 0.549 nan 4.350 nan 0.000 0.284 56 T C 0.396 175.067 174.700 -0.048 0.000 1.041 56 T CA -2.009 60.115 62.100 0.040 0.000 1.007 56 T CB 3.554 72.495 68.868 0.122 0.000 1.220 56 T HN -0.398 7.884 8.240 0.070 0.000 0.552 57 V N 1.449 121.320 119.914 -0.071 0.000 2.255 57 V HA -0.454 nan 4.120 nan 0.000 0.247 57 V C 1.675 177.745 176.094 -0.040 0.000 1.051 57 V CA 5.290 67.514 62.300 -0.126 0.000 1.018 57 V CB -0.737 31.025 31.823 -0.101 0.000 0.641 57 V HN 0.732 9.303 8.190 -0.032 -0.400 0.445 58 E N -2.632 117.609 120.200 0.069 0.000 2.118 58 E HA -0.374 nan 4.350 nan 0.000 0.195 58 E C 2.619 179.376 176.600 0.262 0.000 0.992 58 E CA 3.453 59.969 56.400 0.194 0.000 0.804 58 E CB -0.648 29.209 29.700 0.262 0.000 0.741 58 E HN 0.420 8.826 8.360 0.078 0.000 0.458 59 T N 2.248 116.882 114.554 0.133 0.000 2.951 59 T HA -0.127 nan 4.350 nan 0.000 0.268 59 T C 1.551 176.015 174.700 -0.393 0.000 1.073 59 T CA 4.238 66.202 62.100 -0.227 0.000 1.134 59 T CB -0.714 68.067 68.868 -0.146 0.000 0.884 59 T HN -0.274 7.958 8.240 0.146 0.096 0.479 60 A N 1.578 124.232 122.820 -0.276 0.000 1.873 60 A HA -0.205 nan 4.320 nan 0.000 0.215 60 A C 1.479 178.898 177.584 -0.274 0.000 1.186 60 A CA 3.375 55.217 52.037 -0.325 0.000 0.616 60 A CB -0.885 17.961 19.000 -0.256 0.000 0.823 60 A HN 0.081 8.004 8.150 -0.173 0.123 0.442 61 V N -0.463 119.353 119.914 -0.165 0.000 2.282 61 V HA -0.454 nan 4.120 nan 0.000 0.249 61 V C 2.041 178.053 176.094 -0.137 0.000 1.057 61 V CA 3.709 65.944 62.300 -0.110 0.000 1.032 61 V CB -1.247 30.558 31.823 -0.030 0.000 0.645 61 V HN -0.329 7.788 8.190 -0.123 0.000 0.447 62 L N -0.453 120.669 121.223 -0.170 0.000 1.970 62 L HA -0.373 nan 4.340 nan 0.000 0.212 62 L C 1.505 178.183 176.870 -0.319 0.000 1.071 62 L CA 3.205 57.907 54.840 -0.230 0.000 0.751 62 L CB -0.408 41.373 42.059 -0.464 0.000 0.889 62 L HN -0.646 7.436 8.230 -0.142 0.063 0.432 63 I N -1.808 118.449 120.570 -0.522 0.000 2.145 63 I HA -0.729 nan 4.170 nan 0.000 0.244 63 I C 2.159 178.098 176.117 -0.297 0.000 1.075 63 I CA 4.371 65.337 61.300 -0.556 0.000 1.332 63 I CB -0.517 37.035 38.000 -0.747 0.000 1.033 63 I HN -0.026 7.761 8.210 -0.608 0.057 0.410 64 E N -2.225 117.832 120.200 -0.238 0.000 2.265 64 E HA -0.355 nan 4.350 nan 0.000 0.196 64 E C 2.702 179.239 176.600 -0.105 0.000 0.996 64 E CA 3.250 59.559 56.400 -0.150 0.000 0.832 64 E CB -0.479 29.144 29.700 -0.129 0.000 0.756 64 E HN 0.113 8.314 8.360 -0.265 0.000 0.491 65 T N 3.155 117.645 114.554 -0.106 0.000 2.770 65 T HA -0.182 nan 4.350 nan 0.000 0.263 65 T C 1.984 176.654 174.700 -0.050 0.000 1.039 65 T CA 4.454 66.519 62.100 -0.058 0.000 1.142 65 T CB -0.490 68.352 68.868 -0.043 0.000 0.868 65 T HN -0.196 7.822 8.240 -0.139 0.139 0.435 66 L N 0.129 121.305 121.223 -0.079 0.000 2.042 66 L HA -0.388 nan 4.340 nan 0.000 0.210 66 L C 1.783 178.618 176.870 -0.059 0.000 1.076 66 L CA 3.434 58.235 54.840 -0.064 0.000 0.749 66 L CB -0.424 41.597 42.059 -0.063 0.000 0.893 66 L HN -0.255 7.905 8.230 -0.116 0.000 0.432 67 V N -1.226 118.648 119.914 -0.068 0.000 2.295 67 V HA -0.433 nan 4.120 nan 0.000 0.246 67 V C 2.155 178.231 176.094 -0.031 0.000 1.049 67 V CA 4.255 66.525 62.300 -0.050 0.000 1.024 67 V CB -0.857 30.928 31.823 -0.064 0.000 0.648 67 V HN 0.057 8.185 8.190 -0.095 0.005 0.447 68 A N -1.589 121.214 122.820 -0.028 0.000 2.121 68 A HA -0.116 nan 4.320 nan 0.000 0.218 68 A C 0.865 178.458 177.584 0.015 0.000 1.154 68 A CA 2.734 54.767 52.037 -0.008 0.000 0.679 68 A CB -0.347 18.648 19.000 -0.008 0.000 0.795 68 A HN 0.107 8.045 8.150 -0.042 0.187 0.458 69 L N -4.054 117.177 121.223 0.013 0.000 2.685 69 L HA 0.104 nan 4.340 nan 0.000 0.233 69 L C -0.145 176.740 176.870 0.025 0.000 1.173 69 L CA -1.790 53.072 54.840 0.037 0.000 0.961 69 L CB -0.985 41.094 42.059 0.034 0.000 1.217 69 L HN -0.753 7.293 8.230 -0.008 0.179 0.478 70 G N -2.595 106.210 108.800 0.008 0.000 2.157 70 G HA2 -0.431 nan 3.960 nan 0.000 0.248 70 G HA3 -0.431 nan 3.960 nan 0.000 0.248 70 G C -1.519 173.356 174.900 -0.042 0.000 0.979 70 G CA 0.323 45.426 45.100 0.005 0.000 0.650 70 G HN -0.386 7.830 8.290 0.003 0.076 0.529 71 A N -0.195 122.579 122.820 -0.077 0.000 2.293 71 A HA 0.425 nan 4.320 nan 0.000 0.302 71 A C -0.880 176.661 177.584 -0.072 0.000 1.119 71 A CA -1.248 50.703 52.037 -0.143 0.000 0.823 71 A CB 1.087 19.987 19.000 -0.167 0.000 1.097 71 A HN -0.710 7.367 8.150 -0.056 0.039 0.491 72 E N 1.767 121.917 120.200 -0.083 0.000 2.175 72 E HA 0.263 nan 4.350 nan 0.000 0.278 72 E C -1.573 175.155 176.600 0.213 0.000 0.969 72 E CA -0.888 55.553 56.400 0.069 0.000 0.796 72 E CB 1.901 31.629 29.700 0.047 0.000 1.104 72 E HN 0.481 8.614 8.360 -0.197 0.109 0.395 73 V N 1.449 121.521 119.914 0.262 0.000 2.789 73 V HA 0.606 nan 4.120 nan 0.000 0.311 73 V C -0.986 175.231 176.094 0.205 0.000 1.073 73 V CA -1.559 60.914 62.300 0.289 0.000 0.921 73 V CB 2.797 34.732 31.823 0.186 0.000 1.009 73 V HN 0.296 8.598 8.190 0.187 0.000 0.426 74 R N 1.478 122.089 120.500 0.185 0.000 2.686 74 R HA 0.705 nan 4.340 nan 0.000 0.283 74 R C -2.270 174.178 176.300 0.245 0.000 0.978 74 R CA -0.995 55.149 56.100 0.074 0.000 0.897 74 R CB 3.771 33.930 30.300 -0.235 0.000 1.192 74 R HN 0.543 8.979 8.270 0.277 0.000 0.457 75 W N 2.058 123.358 121.300 0.001 0.000 3.062 75 W HA 0.607 nan 4.660 nan 0.000 0.336 75 W C -2.464 174.080 176.519 0.042 0.000 1.224 75 W CA -1.042 56.293 57.345 -0.016 0.000 1.159 75 W CB 4.974 34.396 29.460 -0.062 0.000 1.454 75 W HN 0.805 9.167 8.180 0.303 0.000 0.569 76 S N -1.270 114.423 115.700 -0.012 0.000 2.643 76 S HA 0.509 nan 4.470 nan 0.000 0.270 76 S C -1.766 172.832 174.600 -0.003 0.000 1.166 76 S CA -1.180 57.046 58.200 0.043 0.000 0.815 76 S CB 2.960 66.122 63.200 -0.064 0.000 1.139 76 S HN 0.122 8.106 8.310 -0.544 0.000 0.472 77 S N 1.057 116.803 115.700 0.077 0.000 2.598 77 S HA 0.395 nan 4.470 nan 0.000 0.267 77 S C 0.290 174.932 174.600 0.069 0.000 1.189 77 S CA 0.430 58.675 58.200 0.075 0.000 1.010 77 S CB 1.092 64.322 63.200 0.049 0.000 1.084 77 S HN 0.590 8.950 8.310 0.083 0.000 0.541 78 C N -3.291 115.994 119.300 -0.026 0.000 3.489 78 C HA 0.377 nan 4.460 nan 0.000 0.264 78 C C -1.728 173.186 174.990 -0.127 0.000 2.026 78 C CA -2.105 56.896 59.018 -0.028 0.000 1.705 78 C CB 0.959 28.558 27.740 -0.234 0.000 3.389 78 C HN 0.456 8.667 8.230 -0.032 0.000 0.459 79 N N -0.690 117.887 118.700 -0.206 0.000 2.555 79 N HA 0.104 nan 4.740 nan 0.000 0.265 79 N C -0.829 174.480 175.510 -0.336 0.000 1.135 79 N CA 0.009 52.928 53.050 -0.219 0.000 0.925 79 N CB 3.495 42.054 38.487 0.120 0.000 1.662 79 N HN -0.600 7.607 8.380 -0.175 0.068 0.489 80 I N -3.680 116.621 120.570 -0.448 0.000 2.546 80 I HA -0.136 nan 4.170 nan 0.000 0.255 80 I C 0.411 176.217 176.117 -0.518 0.000 1.163 80 I CA 2.314 63.276 61.300 -0.563 0.000 1.457 80 I CB -0.097 37.476 38.000 -0.711 0.000 1.092 80 I HN 0.395 8.363 8.210 -0.404 0.000 0.434 81 F N -1.183 118.707 119.950 -0.101 0.000 2.500 81 F HA -0.019 nan 4.527 nan 0.000 0.285 81 F C 0.951 176.744 175.800 -0.012 0.000 1.088 81 F CA 2.118 60.096 58.000 -0.037 0.000 1.432 81 F CB 0.582 39.570 39.000 -0.020 0.000 1.131 81 F HN -0.162 8.462 8.300 0.087 -0.271 0.582 82 S N -1.457 114.349 115.700 0.175 0.000 2.399 82 S HA -0.411 nan 4.470 nan 0.000 0.235 82 S C 0.920 175.590 174.600 0.116 0.000 1.063 82 S CA 1.965 60.224 58.200 0.099 0.000 1.070 82 S CB 0.013 63.262 63.200 0.081 0.000 0.904 82 S HN -0.326 8.462 8.310 0.181 -0.369 0.456 83 T N 2.889 117.511 114.554 0.113 0.000 2.758 83 T HA -0.140 nan 4.350 nan 0.000 0.281 83 T C -0.314 174.452 174.700 0.111 0.000 0.963 83 T CA 0.533 62.697 62.100 0.107 0.000 1.201 83 T CB -0.209 68.702 68.868 0.072 0.000 0.906 83 T HN -0.243 8.008 8.240 0.089 0.042 0.528 84 Q N 9.003 128.866 119.800 0.104 0.000 2.323 84 Q HA 0.006 nan 4.340 nan 0.000 0.257 84 Q C 0.977 177.057 176.000 0.134 0.000 1.022 84 Q CA -0.512 55.370 55.803 0.132 0.000 0.919 84 Q CB 0.571 29.401 28.738 0.153 0.000 1.220 84 Q HN 0.622 8.851 8.270 0.091 0.096 0.427 85 D N 7.657 128.149 120.400 0.154 0.000 2.149 85 D HA -0.388 nan 4.640 nan 0.000 0.198 85 D C 1.533 177.892 176.300 0.098 0.000 0.990 85 D CA 4.371 58.455 54.000 0.140 0.000 0.839 85 D CB -0.127 40.771 40.800 0.164 0.000 0.948 85 D HN 0.736 9.194 8.370 0.147 0.000 0.460 86 H N -2.790 116.142 119.070 -0.230 0.000 2.457 86 H HA -0.094 nan 4.556 nan 0.000 0.294 86 H C 1.367 176.514 175.328 -0.302 0.000 1.064 86 H CA 2.299 58.130 56.048 -0.362 0.000 1.330 86 H CB -1.409 27.734 29.762 -1.031 0.000 1.395 86 H HN 0.192 8.616 8.280 0.241 0.000 0.541 87 A N -0.330 122.165 122.820 -0.541 0.000 1.872 87 A HA -0.261 nan 4.320 nan 0.000 0.214 87 A C 1.649 179.080 177.584 -0.255 0.000 1.187 87 A CA 2.661 54.401 52.037 -0.495 0.000 0.614 87 A CB -0.758 18.000 19.000 -0.403 0.000 0.826 87 A HN -0.383 7.478 8.150 -0.262 0.133 0.442 88 A N -1.918 120.819 122.820 -0.138 0.000 1.883 88 A HA -0.351 nan 4.320 nan 0.000 0.217 88 A C 1.796 179.301 177.584 -0.133 0.000 1.186 88 A CA 2.950 54.935 52.037 -0.086 0.000 0.624 88 A CB -0.703 18.312 19.000 0.025 0.000 0.822 88 A HN -0.038 8.057 8.150 -0.092 0.000 0.444 89 A N -2.320 120.434 122.820 -0.110 0.000 1.883 89 A HA -0.360 nan 4.320 nan 0.000 0.217 89 A C 1.920 179.397 177.584 -0.179 0.000 1.186 89 A CA 2.997 54.953 52.037 -0.134 0.000 0.624 89 A CB -0.745 18.230 19.000 -0.042 0.000 0.822 89 A HN 0.305 8.301 8.150 -0.068 0.112 0.444 90 A N -1.464 121.255 122.820 -0.169 0.000 1.902 90 A HA -0.301 nan 4.320 nan 0.000 0.217 90 A C 2.230 179.706 177.584 -0.180 0.000 1.181 90 A CA 3.015 54.955 52.037 -0.161 0.000 0.623 90 A CB -0.713 18.182 19.000 -0.175 0.000 0.818 90 A HN -0.469 7.573 8.150 -0.180 0.000 0.443 91 I N -1.893 118.553 120.570 -0.207 0.000 2.179 91 I HA -0.469 nan 4.170 nan 0.000 0.242 91 I C 2.067 178.052 176.117 -0.219 0.000 1.088 91 I CA 2.131 63.305 61.300 -0.210 0.000 1.357 91 I CB -1.226 36.633 38.000 -0.236 0.000 1.051 91 I HN -0.558 7.524 8.210 -0.215 0.000 0.409 92 A N -1.085 121.556 122.820 -0.299 0.000 1.908 92 A HA -0.331 nan 4.320 nan 0.000 0.218 92 A C 2.351 179.703 177.584 -0.386 0.000 1.181 92 A CA 3.358 55.109 52.037 -0.476 0.000 0.627 92 A CB -0.886 17.582 19.000 -0.887 0.000 0.818 92 A HN -0.076 7.901 8.150 -0.288 0.000 0.445 93 K N -0.174 120.050 120.400 -0.294 0.000 2.209 93 K HA -0.229 nan 4.320 nan 0.000 0.204 93 K C 0.979 177.521 176.600 -0.097 0.000 1.048 93 K CA 2.276 58.464 56.287 -0.165 0.000 0.940 93 K CB 0.063 32.492 32.500 -0.118 0.000 0.729 93 K HN 0.249 8.138 8.250 -0.290 0.187 0.451 94 A N -3.889 118.866 122.820 -0.108 0.000 2.251 94 A HA 0.081 nan 4.320 nan 0.000 0.209 94 A C -0.203 177.351 177.584 -0.051 0.000 1.187 94 A CA 0.061 52.054 52.037 -0.073 0.000 0.823 94 A CB 0.274 19.222 19.000 -0.087 0.000 0.846 94 A HN -0.325 7.585 8.150 -0.144 0.153 0.486 95 G N -2.213 106.559 108.800 -0.047 0.000 2.131 95 G HA2 -0.346 nan 3.960 nan 0.000 0.223 95 G HA3 -0.346 nan 3.960 nan 0.000 0.223 95 G C -0.566 174.329 174.900 -0.007 0.000 0.990 95 G CA -0.019 45.080 45.100 -0.001 0.000 0.671 95 G HN -0.234 7.806 8.290 -0.079 0.202 0.521 96 I N 0.960 121.497 120.570 -0.054 0.000 2.336 96 I HA 0.252 nan 4.170 nan 0.000 0.292 96 I C -2.049 174.026 176.117 -0.070 0.000 0.991 96 I CA -3.263 58.005 61.300 -0.055 0.000 1.227 96 I CB 1.440 39.384 38.000 -0.093 0.000 1.366 96 I HN -0.381 7.774 8.210 -0.092 0.000 0.466 97 P HA -0.001 nan 4.420 nan 0.000 0.258 97 P C -1.665 175.462 177.300 -0.289 0.000 1.563 97 P CA -0.066 62.949 63.100 -0.143 0.000 1.241 97 P CB -1.982 29.724 31.700 0.010 0.000 1.811 98 V N -2.127 117.568 119.914 -0.364 0.000 2.394 98 V HA 0.715 nan 4.120 nan 0.000 0.282 98 V C -1.254 174.586 176.094 -0.424 0.000 1.031 98 V CA -2.556 59.604 62.300 -0.233 0.000 0.881 98 V CB 1.319 33.094 31.823 -0.080 0.000 0.982 98 V HN -0.397 7.615 8.190 -0.297 0.000 0.451 99 F N 6.085 126.136 119.950 0.168 0.000 2.334 99 F HA 0.605 nan 4.527 nan 0.000 0.343 99 F C -1.725 174.205 175.800 0.216 0.000 1.136 99 F CA -1.569 56.580 58.000 0.249 0.000 1.237 99 F CB -0.597 38.391 39.000 -0.020 0.000 1.525 99 F HN 0.660 8.987 8.300 0.226 0.109 0.528 100 A N 1.468 124.524 122.820 0.394 0.000 2.566 100 A HA 0.621 nan 4.320 nan 0.000 0.297 100 A C -2.924 174.875 177.584 0.357 0.000 1.059 100 A CA 0.009 52.123 52.037 0.128 0.000 0.691 100 A CB 3.026 22.083 19.000 0.094 0.000 1.282 100 A HN 0.104 8.537 8.150 0.472 0.000 0.401 101 W N -2.341 119.039 121.300 0.133 0.000 3.248 101 W HA 0.296 nan 4.660 nan 0.000 0.311 101 W C -2.530 174.028 176.519 0.065 0.000 1.258 101 W CA -1.614 55.789 57.345 0.096 0.000 1.191 101 W CB 2.178 31.698 29.460 0.099 0.000 1.389 101 W HN 0.281 8.365 8.180 -0.654 -0.297 0.561 102 K N 1.902 122.416 120.400 0.190 0.000 2.368 102 K HA -0.314 nan 4.320 nan 0.000 0.282 102 K C 0.746 177.399 176.600 0.089 0.000 1.035 102 K CA 0.473 56.820 56.287 0.100 0.000 0.973 102 K CB -0.142 32.459 32.500 0.169 0.000 0.957 102 K HN -0.149 8.692 8.250 0.270 -0.429 0.474 103 G N 6.636 115.345 108.800 -0.152 0.000 2.255 103 G HA2 -0.430 nan 3.960 nan 0.000 0.239 103 G HA3 -0.430 nan 3.960 nan 0.000 0.239 103 G C -0.962 173.835 174.900 -0.171 0.000 1.083 103 G CA -0.270 44.687 45.100 -0.238 0.000 0.826 103 G HN 0.621 8.633 8.290 -0.292 0.103 0.493 104 E N 0.082 120.078 120.200 -0.341 0.000 2.373 104 E HA 0.034 nan 4.350 nan 0.000 0.263 104 E C -0.134 176.383 176.600 -0.139 0.000 1.073 104 E CA -0.368 55.918 56.400 -0.189 0.000 0.894 104 E CB 0.899 30.311 29.700 -0.479 0.000 1.008 104 E HN -0.635 7.419 8.360 -0.510 0.000 0.420 105 T N -1.066 113.507 114.554 0.031 0.000 2.904 105 T HA 0.179 nan 4.350 nan 0.000 0.290 105 T C 1.045 175.766 174.700 0.034 0.000 1.018 105 T CA -1.175 60.939 62.100 0.023 0.000 1.075 105 T CB 1.473 70.384 68.868 0.072 0.000 0.986 105 T HN -0.051 8.554 8.240 0.152 -0.274 0.523 106 D N 3.340 123.757 120.400 0.029 0.000 2.203 106 D HA -0.439 nan 4.640 nan 0.000 0.199 106 D C 1.731 178.111 176.300 0.134 0.000 0.997 106 D CA 4.226 58.271 54.000 0.075 0.000 0.863 106 D CB -0.312 40.525 40.800 0.062 0.000 0.928 106 D HN 0.528 8.907 8.370 0.015 0.000 0.458 107 E N -1.586 118.680 120.200 0.110 0.000 2.072 107 E HA -0.251 nan 4.350 nan 0.000 0.190 107 E C 2.373 179.080 176.600 0.178 0.000 0.982 107 E CA 2.991 59.462 56.400 0.119 0.000 0.803 107 E CB -0.431 29.318 29.700 0.082 0.000 0.755 107 E HN 0.338 8.717 8.360 0.087 0.033 0.453 108 E N 0.441 120.765 120.200 0.208 0.000 2.204 108 E HA -0.292 nan 4.350 nan 0.000 0.194 108 E C 2.216 179.030 176.600 0.355 0.000 0.989 108 E CA 2.523 59.127 56.400 0.340 0.000 0.824 108 E CB -0.193 29.777 29.700 0.450 0.000 0.756 108 E HN -0.622 7.752 8.360 0.170 0.088 0.477 109 Y N 1.559 121.891 120.300 0.052 0.000 2.089 109 Y HA -0.372 nan 4.550 nan 0.000 0.282 109 Y C 1.201 177.107 175.900 0.011 0.000 1.139 109 Y CA 2.511 60.587 58.100 -0.040 0.000 1.123 109 Y CB -0.106 38.303 38.460 -0.083 0.000 0.980 109 Y HN -0.346 8.060 8.280 0.258 0.029 0.493 110 L N -1.878 119.296 121.223 -0.081 0.000 2.043 110 L HA -0.522 nan 4.340 nan 0.000 0.212 110 L C 1.613 178.433 176.870 -0.083 0.000 1.075 110 L CA 3.161 57.900 54.840 -0.168 0.000 0.752 110 L CB -0.321 41.728 42.059 -0.016 0.000 0.891 110 L HN -0.753 7.541 8.230 0.106 0.000 0.432 111 W N -0.742 120.505 121.300 -0.089 0.000 2.355 111 W HA -0.432 nan 4.660 nan 0.000 0.309 111 W C 1.433 177.883 176.519 -0.114 0.000 1.206 111 W CA 4.323 61.631 57.345 -0.061 0.000 1.284 111 W CB -0.287 29.190 29.460 0.028 0.000 1.145 111 W HN -0.604 7.744 8.180 0.284 0.003 0.502 112 C N -0.931 118.295 119.300 -0.124 0.000 2.401 112 C HA -0.531 nan 4.460 nan 0.000 0.276 112 C C 2.452 177.152 174.990 -0.483 0.000 1.233 112 C CA 4.780 63.584 59.018 -0.356 0.000 1.753 112 C CB -1.634 26.102 27.740 -0.006 0.000 2.029 112 C HN 0.119 8.408 8.230 0.274 0.106 0.478 113 I N -0.717 119.591 120.570 -0.435 0.000 2.142 113 I HA -0.657 nan 4.170 nan 0.000 0.240 113 I C 1.901 177.750 176.117 -0.446 0.000 1.078 113 I CA 4.355 65.398 61.300 -0.429 0.000 1.343 113 I CB -0.242 37.484 38.000 -0.458 0.000 1.046 113 I HN -0.118 7.836 8.210 -0.419 0.004 0.405 114 E N -0.822 119.115 120.200 -0.438 0.000 2.136 114 E HA -0.475 nan 4.350 nan 0.000 0.202 114 E C 3.090 179.365 176.600 -0.541 0.000 1.019 114 E CA 3.247 59.398 56.400 -0.415 0.000 0.819 114 E CB -0.564 28.949 29.700 -0.312 0.000 0.739 114 E HN -0.273 7.856 8.360 -0.386 0.000 0.458 115 Q N -2.953 116.328 119.800 -0.866 0.000 2.135 115 Q HA -0.213 nan 4.340 nan 0.000 0.204 115 Q C 2.913 178.473 176.000 -0.732 0.000 0.981 115 Q CA 2.209 57.344 55.803 -1.113 0.000 0.856 115 Q CB -0.758 26.532 28.738 -2.413 0.000 0.902 115 Q HN -0.234 7.419 8.270 -0.995 0.020 0.425 116 T N -4.457 109.777 114.554 -0.533 0.000 3.163 116 T HA -0.052 nan 4.350 nan 0.000 0.260 116 T C 0.823 175.308 174.700 -0.359 0.000 1.156 116 T CA 1.922 63.816 62.100 -0.342 0.000 1.072 116 T CB -0.870 67.861 68.868 -0.228 0.000 0.937 116 T HN -0.228 7.565 8.240 -0.551 0.116 0.528 117 L N -2.168 118.814 121.223 -0.400 0.000 2.418 117 L HA -0.021 nan 4.340 nan 0.000 0.218 117 L C -0.307 176.184 176.870 -0.633 0.000 1.125 117 L CA 1.278 55.821 54.840 -0.496 0.000 0.835 117 L CB 0.437 42.087 42.059 -0.682 0.000 0.953 117 L HN -0.706 7.086 8.230 -0.419 0.186 0.454 118 H N -4.468 114.486 119.070 -0.192 0.000 2.667 118 H HA 0.296 nan 4.556 nan 0.000 0.353 118 H C -1.150 174.090 175.328 -0.147 0.000 1.072 118 H CA -0.963 55.062 56.048 -0.039 0.000 1.214 118 H CB 2.433 32.146 29.762 -0.081 0.000 1.600 118 H HN -0.800 7.265 8.280 -0.296 0.038 0.527 119 F N 1.825 121.801 119.950 0.043 0.000 2.541 119 F HA 0.259 nan 4.527 nan 0.000 0.331 119 F C 1.344 177.165 175.800 0.035 0.000 1.057 119 F CA -2.268 55.748 58.000 0.027 0.000 0.975 119 F CB 1.814 40.811 39.000 -0.006 0.000 1.246 119 F HN 0.799 9.350 8.300 0.612 0.116 0.484 120 K N 1.797 122.321 120.400 0.205 0.000 2.113 120 K HA -0.323 nan 4.320 nan 0.000 0.208 120 K C 0.493 177.159 176.600 0.110 0.000 1.047 120 K CA 2.977 59.336 56.287 0.121 0.000 0.928 120 K CB -0.316 32.240 32.500 0.094 0.000 0.716 120 K HN 0.645 9.022 8.250 0.212 0.000 0.446 121 D N -6.402 114.073 120.400 0.125 0.000 2.350 121 D HA -0.004 nan 4.640 nan 0.000 0.213 121 D C 0.180 176.522 176.300 0.071 0.000 1.031 121 D CA -0.354 53.692 54.000 0.077 0.000 0.861 121 D CB 0.086 40.915 40.800 0.049 0.000 0.926 121 D HN 0.056 8.505 8.370 0.173 0.025 0.520 122 G N -0.097 108.775 108.800 0.120 0.000 2.359 122 G HA2 -0.047 nan 3.960 nan 0.000 0.293 122 G HA3 -0.047 nan 3.960 nan 0.000 0.293 122 G C -2.976 172.029 174.900 0.175 0.000 1.300 122 G CA -0.577 44.588 45.100 0.109 0.000 0.888 122 G HN -0.592 7.621 8.290 0.187 0.189 0.541 123 P HA 0.377 nan 4.420 nan 0.000 0.277 123 P C -0.486 176.781 177.300 -0.054 0.000 1.271 123 P CA -0.826 62.316 63.100 0.071 0.000 0.795 123 P CB 0.993 32.687 31.700 -0.010 0.000 1.101 124 L N -3.802 117.397 121.223 -0.039 0.000 2.485 124 L HA -0.060 nan 4.340 nan 0.000 0.275 124 L C -0.165 176.584 176.870 -0.203 0.000 1.207 124 L CA 0.863 55.601 54.840 -0.170 0.000 0.855 124 L CB -0.052 42.021 42.059 0.022 0.000 1.114 124 L HN -0.172 8.026 8.230 -0.055 0.000 0.485 125 N N -0.363 118.180 118.700 -0.263 0.000 2.197 125 N HA 0.151 nan 4.740 nan 0.000 0.228 125 N C -1.594 173.853 175.510 -0.106 0.000 1.212 125 N CA -0.794 52.175 53.050 -0.134 0.000 0.883 125 N CB 1.355 39.798 38.487 -0.074 0.000 1.107 125 N HN 0.337 8.474 8.380 -0.405 0.000 0.519 126 M N -0.500 119.006 119.600 -0.157 0.000 2.414 126 M HA 0.479 nan 4.480 nan 0.000 0.287 126 M C -2.779 173.453 176.300 -0.113 0.000 1.181 126 M CA 0.337 55.562 55.300 -0.124 0.000 0.933 126 M CB 4.267 36.741 32.600 -0.209 0.000 1.732 126 M HN -0.786 7.334 8.290 -0.185 0.059 0.486 127 I N 2.903 123.419 120.570 -0.090 0.000 2.465 127 I HA 0.717 nan 4.170 nan 0.000 0.291 127 I C -1.994 174.055 176.117 -0.114 0.000 1.014 127 I CA -1.056 60.179 61.300 -0.107 0.000 1.093 127 I CB 3.094 41.042 38.000 -0.086 0.000 1.267 127 I HN 0.512 8.681 8.210 -0.068 0.000 0.431 128 L N 6.902 128.026 121.223 -0.165 0.000 2.353 128 L HA 0.533 nan 4.340 nan 0.000 0.270 128 L C -2.764 173.960 176.870 -0.244 0.000 1.003 128 L CA -1.224 53.522 54.840 -0.157 0.000 0.862 128 L CB 1.978 43.967 42.059 -0.117 0.000 1.221 128 L HN 0.474 8.573 8.230 -0.217 0.000 0.430 129 D N 6.461 126.759 120.400 -0.170 0.000 2.433 129 D HA 0.601 nan 4.640 nan 0.000 0.236 129 D C -2.686 173.536 176.300 -0.129 0.000 1.026 129 D CA -1.191 52.700 54.000 -0.182 0.000 0.884 129 D CB 4.228 44.941 40.800 -0.144 0.000 1.384 129 D HN 0.725 9.023 8.370 -0.120 0.000 0.477 130 D N 3.042 123.355 120.400 -0.145 0.000 2.375 130 D HA 0.197 nan 4.640 nan 0.000 0.259 130 D C -0.089 176.152 176.300 -0.099 0.000 1.235 130 D CA -1.311 52.628 54.000 -0.102 0.000 0.924 130 D CB 0.597 41.316 40.800 -0.135 0.000 1.143 130 D HN -0.396 7.860 8.370 -0.190 0.000 0.529 131 G N 5.621 114.384 108.800 -0.063 0.000 2.380 131 G HA2 -0.223 nan 3.960 nan 0.000 0.197 131 G HA3 -0.223 nan 3.960 nan 0.000 0.197 131 G C -0.239 174.636 174.900 -0.041 0.000 1.001 131 G CA 0.137 45.212 45.100 -0.043 0.000 0.668 131 G HN 0.494 9.237 8.290 -0.058 -0.488 0.483 132 G N -0.213 108.550 108.800 -0.062 0.000 2.254 132 G HA2 -0.414 nan 3.960 nan 0.000 0.225 132 G HA3 -0.414 nan 3.960 nan 0.000 0.225 132 G C 0.139 175.005 174.900 -0.056 0.000 1.003 132 G CA 0.387 45.450 45.100 -0.061 0.000 0.622 132 G HN -0.316 8.166 8.290 -0.079 -0.239 0.507 133 D N 2.400 122.772 120.400 -0.046 0.000 2.160 133 D HA -0.308 nan 4.640 nan 0.000 0.189 133 D C 1.573 177.819 176.300 -0.089 0.000 1.003 133 D CA 3.480 57.449 54.000 -0.051 0.000 0.846 133 D CB -0.270 40.515 40.800 -0.026 0.000 0.949 133 D HN 0.143 8.413 8.370 -0.035 0.079 0.446 134 L N -1.871 119.278 121.223 -0.124 0.000 1.989 134 L HA -0.339 nan 4.340 nan 0.000 0.211 134 L C 1.620 178.454 176.870 -0.060 0.000 1.071 134 L CA 3.005 57.763 54.840 -0.136 0.000 0.749 134 L CB 0.029 41.976 42.059 -0.187 0.000 0.890 134 L HN -0.626 7.754 8.230 -0.132 -0.229 0.431 135 T N -2.814 111.718 114.554 -0.037 0.000 2.881 135 T HA -0.376 nan 4.350 nan 0.000 0.270 135 T C 2.148 176.916 174.700 0.115 0.000 1.068 135 T CA 4.196 66.327 62.100 0.052 0.000 1.131 135 T CB -0.906 67.953 68.868 -0.016 0.000 0.871 135 T HN 0.265 8.822 8.240 -0.067 -0.357 0.479 136 N N 2.757 121.467 118.700 0.017 0.000 2.207 136 N HA -0.131 nan 4.740 nan 0.000 0.182 136 N C 1.704 177.246 175.510 0.054 0.000 1.020 136 N CA 3.288 56.349 53.050 0.017 0.000 0.858 136 N CB 0.189 38.665 38.487 -0.017 0.000 0.991 136 N HN 0.087 8.235 8.380 -0.019 0.220 0.427 137 L N 1.484 122.721 121.223 0.023 0.000 2.012 137 L HA -0.342 nan 4.340 nan 0.000 0.210 137 L C 1.606 178.537 176.870 0.102 0.000 1.073 137 L CA 3.614 58.473 54.840 0.031 0.000 0.748 137 L CB 0.005 42.059 42.059 -0.008 0.000 0.891 137 L HN 0.391 8.509 8.230 -0.007 0.108 0.431 138 I N -2.270 118.359 120.570 0.099 0.000 2.208 138 I HA -0.546 nan 4.170 nan 0.000 0.245 138 I C 2.346 178.467 176.117 0.006 0.000 1.097 138 I CA 3.459 64.805 61.300 0.077 0.000 1.363 138 I CB -0.976 37.014 38.000 -0.017 0.000 1.051 138 I HN 0.323 8.571 8.210 0.063 0.000 0.413 139 H N -0.430 118.637 119.070 -0.005 0.000 2.284 139 H HA -0.174 nan 4.556 nan 0.000 0.304 139 H C 2.204 177.513 175.328 -0.032 0.000 1.069 139 H CA 3.939 59.977 56.048 -0.016 0.000 1.327 139 H CB 0.100 29.849 29.762 -0.021 0.000 1.387 139 H HN -0.555 7.776 8.280 0.254 0.101 0.498 140 T N 0.015 114.618 114.554 0.081 0.000 2.777 140 T HA -0.165 nan 4.350 nan 0.000 0.266 140 T C 1.507 176.155 174.700 -0.087 0.000 1.040 140 T CA 3.114 65.214 62.100 0.001 0.000 1.141 140 T CB 0.154 69.018 68.868 -0.005 0.000 0.868 140 T HN 0.343 8.648 8.240 0.109 0.000 0.444 141 K N -3.089 117.210 120.400 -0.169 0.000 2.358 141 K HA 0.148 nan 4.320 nan 0.000 0.200 141 K C -0.568 175.546 176.600 -0.809 0.000 1.030 141 K CA -0.035 55.985 56.287 -0.444 0.000 1.097 141 K CB 1.142 33.330 32.500 -0.519 0.000 0.862 141 K HN -0.036 8.049 8.250 -0.099 0.106 0.534 142 H N -1.613 117.433 119.070 -0.041 0.000 3.038 142 H HA 0.372 nan 4.556 nan 0.000 0.223 142 H C -1.623 173.659 175.328 -0.078 0.000 1.400 142 H CA -2.231 53.788 56.048 -0.049 0.000 1.153 142 H CB -0.076 29.652 29.762 -0.057 0.000 2.234 142 H HN -0.383 7.753 8.280 -0.103 0.082 0.541 143 P HA -0.204 nan 4.420 nan 0.000 0.221 143 P C 0.582 177.860 177.300 -0.036 0.000 1.145 143 P CA 2.124 65.188 63.100 -0.061 0.000 0.795 143 P CB 0.136 31.808 31.700 -0.048 0.000 0.775 144 Q N -2.337 117.465 119.800 0.005 0.000 2.170 144 Q HA -0.213 nan 4.340 nan 0.000 0.203 144 Q C 2.197 178.199 176.000 0.002 0.000 0.976 144 Q CA 2.740 58.551 55.803 0.013 0.000 0.858 144 Q CB -1.194 27.570 28.738 0.043 0.000 0.907 144 Q HN 0.293 8.522 8.270 0.022 0.055 0.433 145 L N -3.285 117.936 121.223 -0.002 0.000 2.270 145 L HA -0.133 nan 4.340 nan 0.000 0.210 145 L C 1.560 178.389 176.870 -0.069 0.000 1.104 145 L CA 1.242 56.060 54.840 -0.035 0.000 0.804 145 L CB -0.191 41.831 42.059 -0.062 0.000 0.937 145 L HN -0.001 8.104 8.230 0.021 0.137 0.450 146 L N -0.483 120.678 121.223 -0.102 0.000 1.991 146 L HA -0.468 nan 4.340 nan 0.000 0.221 146 L C 2.079 178.903 176.870 -0.077 0.000 1.079 146 L CA 3.300 58.054 54.840 -0.144 0.000 0.778 146 L CB -0.847 41.094 42.059 -0.196 0.000 0.893 146 L HN -0.744 7.269 8.230 -0.095 0.160 0.437 147 S N -2.693 112.979 115.700 -0.047 0.000 2.603 147 S HA -0.164 nan 4.470 nan 0.000 0.229 147 S C 1.222 175.814 174.600 -0.014 0.000 0.972 147 S CA 1.713 59.900 58.200 -0.021 0.000 0.935 147 S CB -0.714 62.478 63.200 -0.013 0.000 0.769 147 S HN 0.122 8.404 8.310 -0.046 0.000 0.536 148 G N 0.601 109.387 108.800 -0.023 0.000 2.850 148 G HA2 0.167 nan 3.960 nan 0.000 0.211 148 G HA3 0.167 nan 3.960 nan 0.000 0.211 148 G C -1.126 173.764 174.900 -0.015 0.000 1.124 148 G CA -0.169 44.921 45.100 -0.017 0.000 0.769 148 G HN 0.137 8.176 8.290 -0.038 0.228 0.535 149 I N -0.170 120.384 120.570 -0.026 0.000 2.371 149 I HA -0.126 nan 4.170 nan 0.000 0.290 149 I C -0.590 175.543 176.117 0.026 0.000 1.028 149 I CA 0.231 61.521 61.300 -0.017 0.000 1.345 149 I CB 0.524 38.498 38.000 -0.042 0.000 1.407 149 I HN -0.615 7.460 8.210 -0.037 0.112 0.501 150 R N 7.645 128.190 120.500 0.074 0.000 2.093 150 R HA -0.026 nan 4.340 nan 0.000 0.224 150 R C -0.154 176.199 176.300 0.088 0.000 1.101 150 R CA 1.245 57.411 56.100 0.111 0.000 0.979 150 R CB 0.900 31.338 30.300 0.229 0.000 0.877 150 R HN 0.877 9.078 8.270 0.085 0.120 0.441 151 G N -4.514 104.325 108.800 0.065 0.000 2.601 151 G HA2 0.279 nan 3.960 nan 0.000 0.291 151 G HA3 0.279 nan 3.960 nan 0.000 0.291 151 G C -3.013 171.884 174.900 -0.005 0.000 1.456 151 G CA -0.397 44.721 45.100 0.029 0.000 0.804 151 G HN -0.847 7.477 8.290 0.057 0.000 0.499 152 I N -1.011 119.545 120.570 -0.023 0.000 2.562 152 I HA 0.640 nan 4.170 nan 0.000 0.301 152 I C -1.604 174.472 176.117 -0.067 0.000 1.003 152 I CA -1.882 59.392 61.300 -0.043 0.000 1.127 152 I CB 3.684 41.664 38.000 -0.034 0.000 1.304 152 I HN 0.645 8.740 8.210 -0.024 0.100 0.446 153 S N 3.146 118.804 115.700 -0.069 0.000 2.647 153 S HA 0.483 nan 4.470 nan 0.000 0.300 153 S C -2.343 172.220 174.600 -0.062 0.000 1.129 153 S CA -1.160 57.003 58.200 -0.062 0.000 1.029 153 S CB 1.583 64.756 63.200 -0.045 0.000 1.007 153 S HN 0.043 8.310 8.310 -0.072 0.000 0.484 154 E N 6.618 126.782 120.200 -0.059 0.000 2.293 154 E HA 0.516 nan 4.350 nan 0.000 0.270 154 E C -2.312 174.275 176.600 -0.021 0.000 0.879 154 E CA -1.921 54.445 56.400 -0.058 0.000 0.756 154 E CB 3.989 33.631 29.700 -0.097 0.000 1.208 154 E HN 0.349 8.674 8.360 -0.059 0.000 0.428 155 E N 1.933 122.135 120.200 0.004 0.000 2.810 155 E HA 0.317 nan 4.350 nan 0.000 0.214 155 E C -1.374 175.252 176.600 0.044 0.000 0.980 155 E CA -1.059 55.367 56.400 0.045 0.000 1.159 155 E CB 1.295 31.054 29.700 0.099 0.000 1.047 155 E HN -0.140 8.216 8.360 -0.007 0.000 0.484 156 T N -5.177 109.381 114.554 0.006 0.000 2.916 156 T HA 0.390 nan 4.350 nan 0.000 0.292 156 T C 0.456 175.125 174.700 -0.053 0.000 1.055 156 T CA -1.951 60.150 62.100 0.002 0.000 1.009 156 T CB 2.928 71.801 68.868 0.008 0.000 1.118 156 T HN -0.842 7.529 8.240 -0.019 -0.143 0.497 157 T N 2.966 117.476 114.554 -0.074 0.000 2.708 157 T HA -0.293 nan 4.350 nan 0.000 0.266 157 T C 1.869 176.420 174.700 -0.248 0.000 1.037 157 T CA 5.346 67.315 62.100 -0.218 0.000 1.146 157 T CB -0.530 68.237 68.868 -0.168 0.000 0.865 157 T HN 0.462 8.682 8.240 -0.033 0.000 0.435 158 T N 5.587 120.099 114.554 -0.070 0.000 2.595 158 T HA -0.303 nan 4.350 nan 0.000 0.264 158 T C 1.856 176.558 174.700 0.004 0.000 1.058 158 T CA 4.407 66.519 62.100 0.019 0.000 1.166 158 T CB -0.676 68.201 68.868 0.015 0.000 0.863 158 T HN -0.091 8.122 8.240 -0.045 0.000 0.415 159 G N 1.411 110.192 108.800 -0.031 0.000 2.513 159 G HA2 -0.378 nan 3.960 nan 0.000 0.219 159 G HA3 -0.378 nan 3.960 nan 0.000 0.219 159 G C 1.119 175.972 174.900 -0.078 0.000 1.160 159 G CA 2.334 47.404 45.100 -0.051 0.000 0.767 159 G HN 0.026 8.298 8.290 -0.030 0.000 0.571 160 V N 2.521 122.372 119.914 -0.105 0.000 2.427 160 V HA -0.411 nan 4.120 nan 0.000 0.248 160 V C 2.100 178.172 176.094 -0.035 0.000 1.051 160 V CA 4.038 66.241 62.300 -0.162 0.000 1.048 160 V CB -0.897 30.841 31.823 -0.141 0.000 0.666 160 V HN 0.201 8.216 8.190 -0.106 0.112 0.456 161 H N -0.113 119.001 119.070 0.073 0.000 2.387 161 H HA -0.403 nan 4.556 nan 0.000 0.299 161 H C 2.171 177.544 175.328 0.075 0.000 1.090 161 H CA 3.214 59.351 56.048 0.148 0.000 1.332 161 H CB -0.057 29.768 29.762 0.105 0.000 1.386 161 H HN 0.257 8.526 8.280 -0.018 0.000 0.516 162 N N 0.078 118.855 118.700 0.128 0.000 2.084 162 N HA -0.301 nan 4.740 nan 0.000 0.190 162 N C 1.847 177.335 175.510 -0.037 0.000 1.030 162 N CA 2.940 56.009 53.050 0.031 0.000 0.849 162 N CB -0.377 38.104 38.487 -0.010 0.000 1.012 162 N HN -0.139 8.218 8.380 0.111 0.090 0.423 163 L N -0.158 120.994 121.223 -0.118 0.000 2.012 163 L HA -0.485 nan 4.340 nan 0.000 0.210 163 L C 2.170 178.942 176.870 -0.164 0.000 1.073 163 L CA 3.540 58.252 54.840 -0.214 0.000 0.748 163 L CB -0.281 41.566 42.059 -0.353 0.000 0.891 163 L HN -0.333 7.749 8.230 -0.121 0.075 0.431 164 Y N -2.512 117.766 120.300 -0.037 0.000 2.165 164 Y HA -0.507 nan 4.550 nan 0.000 0.286 164 Y C 2.337 178.218 175.900 -0.032 0.000 1.155 164 Y CA 3.141 61.219 58.100 -0.036 0.000 1.164 164 Y CB -0.876 37.584 38.460 -0.001 0.000 0.978 164 Y HN -0.260 7.921 8.280 -0.164 0.000 0.513 165 K N -0.308 120.173 120.400 0.135 0.000 2.026 165 K HA -0.397 nan 4.320 nan 0.000 0.208 165 K C 2.542 179.151 176.600 0.016 0.000 1.048 165 K CA 3.272 59.595 56.287 0.059 0.000 0.929 165 K CB -0.128 32.398 32.500 0.044 0.000 0.713 165 K HN -0.198 8.146 8.250 0.156 0.000 0.439 166 M N -1.439 118.148 119.600 -0.022 0.000 2.117 166 M HA -0.396 nan 4.480 nan 0.000 0.262 166 M C 2.318 178.596 176.300 -0.036 0.000 1.065 166 M CA 3.661 58.926 55.300 -0.058 0.000 1.114 166 M CB 0.158 32.671 32.600 -0.145 0.000 1.361 166 M HN 0.215 8.487 8.290 -0.029 0.000 0.408 167 M N -0.323 119.261 119.600 -0.026 0.000 2.296 167 M HA -0.231 nan 4.480 nan 0.000 0.265 167 M C 2.241 178.552 176.300 0.018 0.000 1.064 167 M CA 2.145 57.443 55.300 -0.004 0.000 1.109 167 M CB -0.618 31.982 32.600 0.000 0.000 1.396 167 M HN 0.137 8.407 8.290 -0.033 0.000 0.430 168 A N -0.018 122.819 122.820 0.028 0.000 2.014 168 A HA -0.154 nan 4.320 nan 0.000 0.218 168 A C 1.209 178.800 177.584 0.013 0.000 1.163 168 A CA 2.396 54.447 52.037 0.024 0.000 0.652 168 A CB -0.657 18.359 19.000 0.026 0.000 0.808 168 A HN 0.213 8.254 8.150 0.036 0.131 0.449 169 N N -4.447 114.258 118.700 0.008 0.000 2.322 169 N HA 0.065 nan 4.740 nan 0.000 0.194 169 N C 0.103 175.618 175.510 0.008 0.000 1.126 169 N CA -0.720 52.334 53.050 0.006 0.000 0.845 169 N CB 0.279 38.767 38.487 0.001 0.000 0.976 169 N HN -0.589 7.662 8.380 0.006 0.132 0.475 170 G N -1.760 107.046 108.800 0.011 0.000 2.187 170 G HA2 -0.365 nan 3.960 nan 0.000 0.261 170 G HA3 -0.365 nan 3.960 nan 0.000 0.261 170 G C -0.357 174.557 174.900 0.024 0.000 1.000 170 G CA 1.198 46.309 45.100 0.017 0.000 0.718 170 G HN -0.496 7.592 8.290 0.010 0.207 0.519 171 I N -2.454 118.126 120.570 0.016 0.000 2.852 171 I HA -0.140 nan 4.170 nan 0.000 0.264 171 I C 0.046 176.202 176.117 0.064 0.000 1.179 171 I CA 0.654 61.976 61.300 0.036 0.000 1.480 171 I CB 0.329 38.334 38.000 0.008 0.000 1.111 171 I HN -0.109 8.048 8.210 0.002 0.055 0.441 172 L N 0.573 121.793 121.223 -0.004 0.000 2.513 172 L HA -0.190 nan 4.340 nan 0.000 0.272 172 L C -0.072 176.876 176.870 0.129 0.000 1.187 172 L CA 1.360 56.201 54.840 0.001 0.000 0.895 172 L CB 0.258 42.283 42.059 -0.056 0.000 1.147 172 L HN -0.815 7.402 8.230 -0.020 0.000 0.483 173 K N 5.505 126.076 120.400 0.284 0.000 2.402 173 K HA 0.117 nan 4.320 nan 0.000 0.203 173 K C -1.659 175.012 176.600 0.119 0.000 1.077 173 K CA -0.392 55.991 56.287 0.160 0.000 1.051 173 K CB 0.811 33.367 32.500 0.093 0.000 0.907 173 K HN -0.048 8.569 8.250 0.613 0.000 0.554 174 V N -0.429 119.579 119.914 0.157 0.000 2.709 174 V HA 0.518 nan 4.120 nan 0.000 0.308 174 V C -2.736 173.417 176.094 0.098 0.000 1.062 174 V CA -3.416 58.945 62.300 0.103 0.000 0.901 174 V CB 2.372 34.241 31.823 0.076 0.000 1.003 174 V HN -0.641 7.684 8.190 0.224 0.000 0.425 175 P HA 0.218 nan 4.420 nan 0.000 0.269 175 P C -2.380 174.956 177.300 0.059 0.000 1.215 175 P CA -0.064 63.115 63.100 0.131 0.000 0.780 175 P CB 0.687 32.485 31.700 0.164 0.000 0.898 176 A N 0.669 123.526 122.820 0.061 0.000 2.469 176 A HA 0.899 nan 4.320 nan 0.000 0.299 176 A C -1.986 175.576 177.584 -0.036 0.000 1.098 176 A CA -1.539 50.477 52.037 -0.034 0.000 0.737 176 A CB 4.191 23.132 19.000 -0.097 0.000 1.312 176 A HN 0.854 9.101 8.150 0.162 0.000 0.414 177 I N -1.055 119.454 120.570 -0.102 0.000 2.466 177 I HA 0.328 nan 4.170 nan 0.000 0.289 177 I C -2.195 173.875 176.117 -0.078 0.000 1.026 177 I CA -1.263 59.977 61.300 -0.099 0.000 1.078 177 I CB 3.610 41.508 38.000 -0.170 0.000 1.249 177 I HN -0.031 8.117 8.210 -0.103 0.000 0.429 178 N N 7.775 126.436 118.700 -0.065 0.000 2.500 178 N HA 0.254 nan 4.740 nan 0.000 0.236 178 N C -0.568 174.996 175.510 0.091 0.000 1.022 178 N CA -0.608 52.418 53.050 -0.040 0.000 0.935 178 N CB 0.359 38.768 38.487 -0.130 0.000 1.147 178 N HN 0.673 8.914 8.380 -0.044 0.113 0.512 179 V N 4.292 124.244 119.914 0.064 0.000 3.608 179 V HA -0.099 nan 4.120 nan 0.000 0.269 179 V C 1.276 177.432 176.094 0.104 0.000 1.245 179 V CA 1.004 63.358 62.300 0.090 0.000 1.138 179 V CB -0.489 31.373 31.823 0.065 0.000 0.841 179 V HN 0.643 8.847 8.190 0.023 0.000 0.451 180 N N 0.839 119.597 118.700 0.097 0.000 2.188 180 N HA -0.237 nan 4.740 nan 0.000 0.184 180 N C 0.318 175.903 175.510 0.124 0.000 1.018 180 N CA 3.169 56.275 53.050 0.093 0.000 0.858 180 N CB 0.326 38.847 38.487 0.057 0.000 0.989 180 N HN 0.192 8.740 8.380 0.076 -0.123 0.426 181 D N -2.498 118.020 120.400 0.198 0.000 2.336 181 D HA 0.140 nan 4.640 nan 0.000 0.228 181 D C -0.650 175.730 176.300 0.134 0.000 1.120 181 D CA -0.108 54.018 54.000 0.210 0.000 0.839 181 D CB 0.171 41.209 40.800 0.397 0.000 0.932 181 D HN -0.535 8.220 8.370 0.240 -0.240 0.509 182 S N 0.965 116.736 115.700 0.119 0.000 2.576 182 S HA 0.057 nan 4.470 nan 0.000 0.276 182 S C 0.846 175.464 174.600 0.031 0.000 1.339 182 S CA 0.737 58.978 58.200 0.067 0.000 1.039 182 S CB 1.657 64.899 63.200 0.071 0.000 0.902 182 S HN -0.770 7.549 8.310 0.131 0.069 0.516 183 V N 3.636 123.536 119.914 -0.023 0.000 2.343 183 V HA -0.269 nan 4.120 nan 0.000 0.247 183 V C 1.082 177.177 176.094 0.002 0.000 1.051 183 V CA 3.983 66.249 62.300 -0.058 0.000 1.036 183 V CB -0.036 31.642 31.823 -0.241 0.000 0.654 183 V HN 0.337 8.742 8.190 -0.037 -0.237 0.451 184 T N -2.677 111.890 114.554 0.023 0.000 2.915 184 T HA -0.227 nan 4.350 nan 0.000 0.269 184 T C 1.975 176.772 174.700 0.162 0.000 1.071 184 T CA 3.760 65.937 62.100 0.127 0.000 1.132 184 T CB -0.711 68.175 68.868 0.031 0.000 0.878 184 T HN -0.206 8.265 8.240 -0.018 -0.242 0.479 185 K N 2.150 122.605 120.400 0.092 0.000 2.005 185 K HA -0.121 nan 4.320 nan 0.000 0.206 185 K C 1.746 178.413 176.600 0.112 0.000 1.044 185 K CA 2.274 58.617 56.287 0.093 0.000 0.942 185 K CB -0.352 32.195 32.500 0.079 0.000 0.727 185 K HN -0.168 7.991 8.250 0.067 0.130 0.439 186 S N 0.409 116.156 115.700 0.078 0.000 2.359 186 S HA -0.336 nan 4.470 nan 0.000 0.224 186 S C 2.469 177.072 174.600 0.006 0.000 1.035 186 S CA 3.914 62.141 58.200 0.045 0.000 1.018 186 S CB -0.577 62.640 63.200 0.028 0.000 0.876 186 S HN 0.037 8.389 8.310 0.070 0.000 0.448 187 K N 1.320 121.716 120.400 -0.006 0.000 2.103 187 K HA -0.270 nan 4.320 nan 0.000 0.207 187 K C 2.041 178.548 176.600 -0.156 0.000 1.048 187 K CA 2.576 58.773 56.287 -0.150 0.000 0.930 187 K CB -0.560 31.869 32.500 -0.118 0.000 0.716 187 K HN 0.239 8.402 8.250 0.033 0.107 0.444 188 F N -1.721 118.285 119.950 0.093 0.000 2.270 188 F HA -0.180 nan 4.527 nan 0.000 0.295 188 F C 2.458 178.225 175.800 -0.055 0.000 1.087 188 F CA 3.772 61.843 58.000 0.118 0.000 1.365 188 F CB -0.006 39.026 39.000 0.053 0.000 1.056 188 F HN -0.811 7.669 8.300 0.321 0.012 0.506 189 D N -0.897 119.574 120.400 0.119 0.000 2.110 189 D HA -0.189 nan 4.640 nan 0.000 0.202 189 D C 2.170 178.483 176.300 0.022 0.000 0.975 189 D CA 3.366 57.414 54.000 0.080 0.000 0.839 189 D CB 0.265 41.154 40.800 0.149 0.000 0.996 189 D HN -0.011 8.453 8.370 0.157 0.000 0.464 190 N N -1.649 117.048 118.700 -0.005 0.000 2.124 190 N HA -0.127 nan 4.740 nan 0.000 0.188 190 N C 2.023 177.455 175.510 -0.130 0.000 1.045 190 N CA 2.442 55.472 53.050 -0.034 0.000 0.846 190 N CB -0.284 38.177 38.487 -0.044 0.000 1.020 190 N HN 0.208 8.588 8.380 0.000 0.000 0.432 191 L N 1.154 122.230 121.223 -0.245 0.000 1.960 191 L HA -0.214 nan 4.340 nan 0.000 0.209 191 L C 1.738 178.399 176.870 -0.349 0.000 1.090 191 L CA 2.431 57.039 54.840 -0.386 0.000 0.759 191 L CB -0.741 40.915 42.059 -0.671 0.000 0.892 191 L HN -0.588 7.497 8.230 -0.243 0.000 0.436 192 Y N -3.293 116.852 120.300 -0.259 0.000 2.128 192 Y HA -0.388 nan 4.550 nan 0.000 0.284 192 Y C 2.418 178.191 175.900 -0.212 0.000 1.154 192 Y CA 3.583 61.526 58.100 -0.263 0.000 1.149 192 Y CB -1.158 37.033 38.460 -0.448 0.000 0.976 192 Y HN 0.371 8.242 8.280 -0.682 0.000 0.505 193 G N -2.098 106.591 108.800 -0.187 0.000 2.545 193 G HA2 -0.454 nan 3.960 nan 0.000 0.217 193 G HA3 -0.454 nan 3.960 nan 0.000 0.217 193 G C 0.968 175.739 174.900 -0.215 0.000 1.218 193 G CA 2.169 46.951 45.100 -0.531 0.000 0.787 193 G HN 0.123 8.201 8.290 -0.189 0.099 0.571 194 C N 2.247 121.476 119.300 -0.118 0.000 2.403 194 C HA -0.305 nan 4.460 nan 0.000 0.279 194 C C 2.130 177.141 174.990 0.035 0.000 1.269 194 C CA 2.696 61.762 59.018 0.081 0.000 1.774 194 C CB -1.902 25.880 27.740 0.070 0.000 1.993 194 C HN -0.277 7.824 8.230 -0.214 0.000 0.496 195 R N 0.148 120.647 120.500 -0.001 0.000 2.083 195 R HA -0.402 nan 4.340 nan 0.000 0.237 195 R C 2.069 178.404 176.300 0.058 0.000 1.137 195 R CA 3.672 59.786 56.100 0.024 0.000 0.951 195 R CB -0.260 30.057 30.300 0.029 0.000 0.851 195 R HN -0.416 7.736 8.270 -0.040 0.094 0.434 196 E N -2.540 117.699 120.200 0.065 0.000 2.051 196 E HA -0.253 nan 4.350 nan 0.000 0.192 196 E C 2.500 179.152 176.600 0.085 0.000 0.991 196 E CA 2.658 59.106 56.400 0.080 0.000 0.799 196 E CB -0.092 29.656 29.700 0.080 0.000 0.748 196 E HN -0.407 7.983 8.360 0.051 0.000 0.449 197 S N -1.304 114.458 115.700 0.103 0.000 2.439 197 S HA -0.060 nan 4.470 nan 0.000 0.224 197 S C 1.892 176.522 174.600 0.050 0.000 1.029 197 S CA 2.319 60.577 58.200 0.097 0.000 0.946 197 S CB 0.893 64.187 63.200 0.157 0.000 0.797 197 S HN -0.227 8.154 8.310 0.118 0.000 0.504 198 L N 3.302 124.550 121.223 0.041 0.000 1.963 198 L HA -0.357 nan 4.340 nan 0.000 0.220 198 L C 1.079 177.926 176.870 -0.039 0.000 1.076 198 L CA 3.549 58.390 54.840 0.002 0.000 0.772 198 L CB -0.281 41.774 42.059 -0.007 0.000 0.892 198 L HN 0.254 8.410 8.230 0.058 0.110 0.435 199 I N -3.796 116.731 120.570 -0.071 0.000 2.335 199 I HA -0.468 nan 4.170 nan 0.000 0.251 199 I C 2.038 178.079 176.117 -0.127 0.000 1.129 199 I CA 3.059 64.255 61.300 -0.173 0.000 1.402 199 I CB -1.624 36.170 38.000 -0.343 0.000 1.069 199 I HN 0.044 8.230 8.210 -0.040 0.000 0.424 200 D N 0.154 120.524 120.400 -0.049 0.000 2.097 200 D HA -0.216 nan 4.640 nan 0.000 0.195 200 D C 2.234 178.519 176.300 -0.025 0.000 0.989 200 D CA 3.398 57.386 54.000 -0.021 0.000 0.827 200 D CB -0.408 40.403 40.800 0.019 0.000 0.966 200 D HN -0.575 7.658 8.370 -0.021 0.125 0.456 201 G N -0.511 108.276 108.800 -0.022 0.000 2.459 201 G HA2 -0.321 nan 3.960 nan 0.000 0.217 201 G HA3 -0.321 nan 3.960 nan 0.000 0.217 201 G C 1.481 176.362 174.900 -0.032 0.000 1.183 201 G CA 2.254 47.340 45.100 -0.022 0.000 0.776 201 G HN -0.093 8.187 8.290 -0.015 0.000 0.552 202 I N 1.528 122.068 120.570 -0.050 0.000 2.264 202 I HA -0.583 nan 4.170 nan 0.000 0.248 202 I C 2.141 178.225 176.117 -0.055 0.000 1.111 202 I CA 3.620 64.888 61.300 -0.054 0.000 1.382 202 I CB -0.313 37.637 38.000 -0.083 0.000 1.060 202 I HN -0.447 7.728 8.210 -0.058 0.000 0.418 203 K N -0.811 119.547 120.400 -0.070 0.000 2.031 203 K HA -0.220 nan 4.320 nan 0.000 0.205 203 K C 3.135 179.721 176.600 -0.024 0.000 1.049 203 K CA 2.563 58.818 56.287 -0.054 0.000 0.939 203 K CB -0.497 31.966 32.500 -0.062 0.000 0.717 203 K HN -0.074 8.032 8.250 -0.084 0.093 0.438 204 R N -0.900 119.590 120.500 -0.017 0.000 2.091 204 R HA -0.320 nan 4.340 nan 0.000 0.238 204 R C 1.526 177.823 176.300 -0.005 0.000 1.136 204 R CA 3.093 59.190 56.100 -0.005 0.000 0.959 204 R CB -0.153 30.147 30.300 -0.000 0.000 0.856 204 R HN 0.178 8.435 8.270 -0.022 0.000 0.437 205 A N -5.152 117.663 122.820 -0.009 0.000 1.970 205 A HA 0.017 nan 4.320 nan 0.000 0.216 205 A C 1.929 179.511 177.584 -0.003 0.000 1.170 205 A CA 2.495 54.528 52.037 -0.006 0.000 0.645 205 A CB 0.180 19.176 19.000 -0.006 0.000 0.816 205 A HN -0.203 7.934 8.150 -0.015 0.004 0.447 206 T N -8.796 105.754 114.554 -0.007 0.000 2.966 206 T HA 0.146 nan 4.350 nan 0.000 0.254 206 T C 0.468 175.165 174.700 -0.005 0.000 0.961 206 T CA -0.579 61.519 62.100 -0.004 0.000 0.915 206 T CB 1.810 70.677 68.868 -0.002 0.000 1.186 206 T HN -0.329 7.809 8.240 -0.014 0.093 0.505 207 D N 0.475 120.869 120.400 -0.010 0.000 2.751 207 D HA -0.329 nan 4.640 nan 0.000 0.233 207 D C -0.860 175.437 176.300 -0.004 0.000 1.149 207 D CA 1.462 55.459 54.000 -0.005 0.000 0.682 207 D CB -1.147 39.655 40.800 0.003 0.000 1.068 207 D HN 0.218 8.448 8.370 -0.016 0.131 0.429 208 V N -1.537 118.368 119.914 -0.015 0.000 2.686 208 V HA 0.150 nan 4.120 nan 0.000 0.295 208 V C -0.545 175.542 176.094 -0.012 0.000 1.057 208 V CA -1.049 61.245 62.300 -0.011 0.000 1.012 208 V CB 2.156 33.970 31.823 -0.014 0.000 1.006 208 V HN -0.664 7.507 8.190 -0.027 0.002 0.477 209 M N 6.940 126.544 119.600 0.008 0.000 2.227 209 M HA 0.207 nan 4.480 nan 0.000 0.349 209 M C -0.136 176.175 176.300 0.019 0.000 1.443 209 M CA 0.754 56.071 55.300 0.028 0.000 1.110 209 M CB 0.596 33.218 32.600 0.035 0.000 1.773 209 M HN 0.327 8.623 8.290 0.010 0.000 0.463 210 I N 6.772 127.360 120.570 0.031 0.000 2.400 210 I HA -0.137 nan 4.170 nan 0.000 0.248 210 I C 0.219 176.383 176.117 0.079 0.000 1.109 210 I CA 0.297 61.607 61.300 0.017 0.000 1.425 210 I CB -1.061 36.896 38.000 -0.071 0.000 1.094 210 I HN 0.532 8.779 8.210 0.061 0.000 0.425 211 A N -2.325 120.576 122.820 0.135 0.000 2.531 211 A HA -0.252 nan 4.320 nan 0.000 0.236 211 A C 0.610 178.229 177.584 0.057 0.000 1.062 211 A CA 1.431 53.531 52.037 0.104 0.000 0.760 211 A CB -0.434 18.624 19.000 0.097 0.000 0.995 211 A HN -0.284 7.977 8.150 0.184 0.000 0.501 212 G N 2.696 111.521 108.800 0.042 0.000 2.176 212 G HA2 -0.418 nan 3.960 nan 0.000 0.253 212 G HA3 -0.418 nan 3.960 nan 0.000 0.253 212 G C -0.472 174.436 174.900 0.013 0.000 0.979 212 G CA 0.100 45.215 45.100 0.024 0.000 0.641 212 G HN 0.539 8.749 8.290 0.047 0.109 0.530 213 K N -0.055 120.351 120.400 0.010 0.000 2.118 213 K HA 0.363 nan 4.320 nan 0.000 0.254 213 K C -1.051 175.532 176.600 -0.029 0.000 0.961 213 K CA -1.252 55.028 56.287 -0.011 0.000 0.876 213 K CB 2.467 34.958 32.500 -0.016 0.000 1.077 213 K HN -0.687 7.509 8.250 0.022 0.067 0.440 214 V N 2.401 122.281 119.914 -0.057 0.000 2.385 214 V HA 0.284 nan 4.120 nan 0.000 0.269 214 V C -1.391 174.604 176.094 -0.165 0.000 1.043 214 V CA -0.947 61.298 62.300 -0.092 0.000 0.906 214 V CB -0.167 31.596 31.823 -0.101 0.000 0.995 214 V HN 0.513 9.059 8.190 -0.052 -0.387 0.467 215 A N 8.260 130.983 122.820 -0.162 0.000 2.304 215 A HA 0.784 nan 4.320 nan 0.000 0.323 215 A C -1.995 175.418 177.584 -0.285 0.000 1.195 215 A CA -1.820 50.083 52.037 -0.222 0.000 0.826 215 A CB 2.147 21.068 19.000 -0.131 0.000 1.184 215 A HN 0.039 8.017 8.150 -0.110 0.105 0.496 216 V N 4.646 124.287 119.914 -0.455 0.000 2.334 216 V HA 0.478 nan 4.120 nan 0.000 0.281 216 V C -1.189 174.764 176.094 -0.235 0.000 1.016 216 V CA -0.531 61.527 62.300 -0.404 0.000 0.832 216 V CB 1.187 32.606 31.823 -0.672 0.000 0.999 216 V HN 0.347 8.177 8.190 -0.600 0.000 0.439 217 V N 7.914 127.735 119.914 -0.156 0.000 2.347 217 V HA 0.537 nan 4.120 nan 0.000 0.280 217 V C -1.497 174.565 176.094 -0.054 0.000 1.021 217 V CA -2.017 60.227 62.300 -0.092 0.000 0.847 217 V CB 1.245 33.007 31.823 -0.102 0.000 0.990 217 V HN 0.503 8.593 8.190 -0.166 0.000 0.444 218 A N 7.771 130.577 122.820 -0.024 0.000 2.415 218 A HA 0.585 nan 4.320 nan 0.000 0.309 218 A C -1.430 176.156 177.584 0.004 0.000 1.356 218 A CA -1.069 50.961 52.037 -0.012 0.000 0.998 218 A CB -0.010 18.984 19.000 -0.010 0.000 1.145 218 A HN 0.894 9.036 8.150 -0.013 0.000 0.545 219 G N 4.336 113.150 108.800 0.022 0.000 2.484 219 G HA2 -0.199 nan 3.960 nan 0.000 0.685 219 G HA3 -0.199 nan 3.960 nan 0.000 0.685 219 G C -2.167 172.795 174.900 0.103 0.000 1.294 219 G CA -0.187 44.942 45.100 0.047 0.000 0.879 219 G HN -0.144 8.157 8.290 0.019 0.000 0.646 220 Y N 2.234 122.507 120.300 -0.046 0.000 2.810 220 Y HA 0.197 nan 4.550 nan 0.000 0.255 220 Y C -1.514 174.364 175.900 -0.037 0.000 0.979 220 Y CA -1.116 56.950 58.100 -0.056 0.000 1.106 220 Y CB 1.609 40.038 38.460 -0.051 0.000 1.209 220 Y HN 0.304 8.859 8.280 0.110 -0.209 0.646 221 G N 0.726 109.452 108.800 -0.123 0.000 2.582 221 G HA2 -0.128 nan 3.960 nan 0.000 0.232 221 G HA3 -0.128 nan 3.960 nan 0.000 0.232 221 G C -0.375 174.388 174.900 -0.229 0.000 1.458 221 G CA -0.502 44.524 45.100 -0.123 0.000 1.062 221 G HN -0.394 7.852 8.290 -0.075 0.000 0.566 222 D N -0.163 120.137 120.400 -0.166 0.000 2.117 222 D HA -0.156 nan 4.640 nan 0.000 0.197 222 D C 2.451 178.627 176.300 -0.205 0.000 0.987 222 D CA 3.098 56.976 54.000 -0.204 0.000 0.829 222 D CB -0.526 40.180 40.800 -0.157 0.000 0.961 222 D HN 0.363 8.668 8.370 -0.108 0.000 0.460 223 V N -1.239 118.594 119.914 -0.134 0.000 2.307 223 V HA -0.263 nan 4.120 nan 0.000 0.245 223 V C 2.161 178.172 176.094 -0.138 0.000 1.045 223 V CA 4.727 66.968 62.300 -0.099 0.000 1.024 223 V CB -0.634 31.171 31.823 -0.031 0.000 0.651 223 V HN 0.145 8.275 8.190 -0.099 0.000 0.449 224 G N -1.544 107.156 108.800 -0.167 0.000 2.442 224 G HA2 -0.403 nan 3.960 nan 0.000 0.219 224 G HA3 -0.403 nan 3.960 nan 0.000 0.219 224 G C 1.163 175.865 174.900 -0.331 0.000 1.141 224 G CA 2.347 47.334 45.100 -0.188 0.000 0.763 224 G HN 0.118 8.319 8.290 -0.149 0.000 0.554 225 K N 2.219 122.294 120.400 -0.541 0.000 2.002 225 K HA -0.348 nan 4.320 nan 0.000 0.209 225 K C 2.576 179.020 176.600 -0.259 0.000 1.048 225 K CA 3.414 59.343 56.287 -0.597 0.000 0.930 225 K CB -0.095 32.051 32.500 -0.591 0.000 0.714 225 K HN 0.176 8.117 8.250 -0.498 0.010 0.438 226 G N -1.760 106.908 108.800 -0.220 0.000 2.402 226 G HA2 -0.281 nan 3.960 nan 0.000 0.216 226 G HA3 -0.281 nan 3.960 nan 0.000 0.216 226 G C 1.167 176.025 174.900 -0.071 0.000 1.162 226 G CA 2.046 47.066 45.100 -0.133 0.000 0.777 226 G HN -0.427 7.711 8.290 -0.253 0.000 0.539 227 C N 2.627 121.876 119.300 -0.085 0.000 2.429 227 C HA -0.233 nan 4.460 nan 0.000 0.277 227 C C 2.105 177.062 174.990 -0.055 0.000 1.262 227 C CA 3.822 62.807 59.018 -0.056 0.000 1.733 227 C CB -2.013 25.691 27.740 -0.061 0.000 2.010 227 C HN 0.278 8.439 8.230 -0.116 0.000 0.483 228 A N -0.672 122.089 122.820 -0.098 0.000 1.877 228 A HA -0.373 nan 4.320 nan 0.000 0.216 228 A C 1.762 179.356 177.584 0.015 0.000 1.186 228 A CA 3.336 55.284 52.037 -0.148 0.000 0.620 228 A CB -0.994 17.790 19.000 -0.360 0.000 0.822 228 A HN 0.340 8.414 8.150 -0.126 0.000 0.443 229 Q N -0.696 119.149 119.800 0.075 0.000 2.096 229 Q HA -0.384 nan 4.340 nan 0.000 0.204 229 Q C 2.149 178.225 176.000 0.128 0.000 0.982 229 Q CA 3.045 58.937 55.803 0.148 0.000 0.850 229 Q CB -0.058 28.738 28.738 0.096 0.000 0.901 229 Q HN -0.141 8.138 8.270 0.015 0.000 0.422 230 A N 0.013 122.892 122.820 0.098 0.000 1.841 230 A HA -0.313 nan 4.320 nan 0.000 0.216 230 A C 2.246 179.961 177.584 0.220 0.000 1.199 230 A CA 3.027 55.153 52.037 0.148 0.000 0.621 230 A CB -0.798 18.259 19.000 0.094 0.000 0.835 230 A HN -0.149 8.035 8.150 0.057 0.000 0.445 231 L N -2.696 118.604 121.223 0.127 0.000 2.081 231 L HA -0.464 nan 4.340 nan 0.000 0.212 231 L C 2.233 179.212 176.870 0.182 0.000 1.080 231 L CA 2.918 57.831 54.840 0.122 0.000 0.754 231 L CB -0.491 41.582 42.059 0.023 0.000 0.893 231 L HN -0.418 7.851 8.230 0.065 0.000 0.433 232 R N -0.803 119.799 120.500 0.170 0.000 2.081 232 R HA -0.315 nan 4.340 nan 0.000 0.235 232 R C 2.923 179.305 176.300 0.136 0.000 1.131 232 R CA 3.393 59.599 56.100 0.176 0.000 0.960 232 R CB -0.354 30.095 30.300 0.247 0.000 0.856 232 R HN 0.231 8.583 8.270 0.155 0.011 0.436 233 G N -2.457 106.422 108.800 0.132 0.000 2.498 233 G HA2 -0.196 nan 3.960 nan 0.000 0.219 233 G HA3 -0.196 nan 3.960 nan 0.000 0.219 233 G C 0.298 175.158 174.900 -0.068 0.000 1.119 233 G CA 1.491 46.611 45.100 0.033 0.000 0.766 233 G HN -0.064 8.244 8.290 0.160 0.079 0.552 234 F N -0.053 119.910 119.950 0.021 0.000 2.754 234 F HA 0.118 nan 4.527 nan 0.000 0.297 234 F C -0.391 175.416 175.800 0.011 0.000 1.122 234 F CA 0.654 58.663 58.000 0.014 0.000 1.400 234 F CB 1.134 40.141 39.000 0.011 0.000 1.117 234 F HN -0.785 7.522 8.300 0.318 0.184 0.587 235 G N -3.410 105.476 108.800 0.143 0.000 2.154 235 G HA2 -0.337 nan 3.960 nan 0.000 0.186 235 G HA3 -0.337 nan 3.960 nan 0.000 0.186 235 G C -1.487 173.464 174.900 0.085 0.000 1.000 235 G CA -0.178 44.975 45.100 0.088 0.000 0.664 235 G HN -0.485 7.728 8.290 0.142 0.162 0.513 236 A N 0.522 123.402 122.820 0.101 0.000 2.279 236 A HA 0.519 nan 4.320 nan 0.000 0.303 236 A C -1.390 176.226 177.584 0.053 0.000 1.108 236 A CA -1.469 50.604 52.037 0.059 0.000 0.830 236 A CB 1.170 20.195 19.000 0.041 0.000 1.106 236 A HN -0.452 7.780 8.150 0.137 0.000 0.493 237 R N 2.035 122.550 120.500 0.025 0.000 2.287 237 R HA 0.177 nan 4.340 nan 0.000 0.327 237 R C -1.076 175.233 176.300 0.016 0.000 1.109 237 R CA -1.097 55.021 56.100 0.029 0.000 1.013 237 R CB 0.360 30.665 30.300 0.008 0.000 1.126 237 R HN 0.306 8.474 8.270 0.007 0.105 0.503 238 V N 7.789 127.742 119.914 0.066 0.000 2.614 238 V HA 0.147 nan 4.120 nan 0.000 0.291 238 V C -1.160 174.938 176.094 0.007 0.000 1.049 238 V CA 0.807 63.110 62.300 0.006 0.000 1.038 238 V CB 0.532 32.340 31.823 -0.025 0.000 0.980 238 V HN 0.116 8.386 8.190 0.133 0.000 0.481 239 I N 5.911 126.429 120.570 -0.086 0.000 2.436 239 I HA 0.607 nan 4.170 nan 0.000 0.289 239 I C -1.179 174.866 176.117 -0.120 0.000 1.010 239 I CA -1.078 60.175 61.300 -0.078 0.000 1.098 239 I CB 2.632 40.575 38.000 -0.095 0.000 1.266 239 I HN 0.286 8.414 8.210 -0.136 0.000 0.434 240 I N 6.953 127.458 120.570 -0.109 0.000 2.577 240 I HA 0.706 nan 4.170 nan 0.000 0.305 240 I C -1.258 174.812 176.117 -0.078 0.000 0.986 240 I CA -2.338 58.891 61.300 -0.118 0.000 1.189 240 I CB 1.642 39.529 38.000 -0.188 0.000 1.355 240 I HN 1.023 9.082 8.210 -0.075 0.106 0.476 241 T N 1.601 116.123 114.554 -0.053 0.000 2.893 241 T HA 0.664 nan 4.350 nan 0.000 0.291 241 T C -1.494 173.198 174.700 -0.014 0.000 1.028 241 T CA -2.099 59.977 62.100 -0.040 0.000 0.995 241 T CB 2.754 71.594 68.868 -0.047 0.000 1.051 241 T HN 0.086 8.302 8.240 -0.040 0.000 0.470 242 E N 3.206 123.400 120.200 -0.010 0.000 2.401 242 E HA 0.287 nan 4.350 nan 0.000 0.280 242 E C -1.455 175.148 176.600 0.005 0.000 1.039 242 E CA 0.022 56.428 56.400 0.010 0.000 0.814 242 E CB 3.954 33.666 29.700 0.020 0.000 1.275 242 E HN 0.396 8.745 8.360 -0.019 0.000 0.448 243 I N -3.268 117.310 120.570 0.013 0.000 3.790 243 I HA 0.406 nan 4.170 nan 0.000 0.305 243 I C 0.235 176.359 176.117 0.012 0.000 1.253 243 I CA 0.142 61.448 61.300 0.009 0.000 1.355 243 I CB 1.171 39.178 38.000 0.010 0.000 1.137 243 I HN -0.294 7.929 8.210 0.022 0.000 0.435 244 D N 3.393 123.806 120.400 0.021 0.000 2.316 244 D HA 0.365 nan 4.640 nan 0.000 0.245 244 D C -0.752 175.560 176.300 0.020 0.000 1.171 244 D CA -2.981 51.033 54.000 0.023 0.000 0.856 244 D CB 1.401 42.221 40.800 0.033 0.000 1.090 244 D HN -0.366 8.346 8.370 0.028 -0.326 0.476 245 P HA -0.209 nan 4.420 nan 0.000 0.216 245 P C 1.511 178.816 177.300 0.009 0.000 1.150 245 P CA 2.067 65.170 63.100 0.006 0.000 0.843 245 P CB 0.483 32.184 31.700 0.002 0.000 0.787 246 I N -1.791 118.790 120.570 0.018 0.000 2.133 246 I HA -0.527 nan 4.170 nan 0.000 0.238 246 I C 1.519 177.665 176.117 0.048 0.000 1.074 246 I CA 4.111 65.427 61.300 0.025 0.000 1.342 246 I CB -0.515 37.500 38.000 0.025 0.000 1.053 246 I HN 0.141 8.611 8.210 0.019 -0.249 0.404 247 N N -0.035 118.709 118.700 0.074 0.000 2.104 247 N HA -0.388 nan 4.740 nan 0.000 0.190 247 N C 1.862 177.432 175.510 0.101 0.000 1.024 247 N CA 3.926 57.068 53.050 0.155 0.000 0.853 247 N CB -0.728 37.862 38.487 0.172 0.000 1.008 247 N HN -0.493 8.066 8.380 0.061 -0.143 0.424 248 A N -0.197 122.639 122.820 0.026 0.000 1.902 248 A HA -0.226 nan 4.320 nan 0.000 0.217 248 A C 2.006 179.549 177.584 -0.068 0.000 1.181 248 A CA 2.949 54.958 52.037 -0.046 0.000 0.623 248 A CB -0.565 18.419 19.000 -0.026 0.000 0.818 248 A HN -0.015 8.153 8.150 0.036 0.005 0.443 249 L N -1.287 119.920 121.223 -0.027 0.000 2.056 249 L HA -0.375 nan 4.340 nan 0.000 0.207 249 L C 1.816 178.666 176.870 -0.032 0.000 1.078 249 L CA 2.810 57.633 54.840 -0.028 0.000 0.749 249 L CB -0.398 41.655 42.059 -0.009 0.000 0.901 249 L HN -0.206 7.929 8.230 -0.006 0.092 0.433 250 Q N -1.441 118.363 119.800 0.006 0.000 2.077 250 Q HA -0.507 nan 4.340 nan 0.000 0.206 250 Q C 2.499 178.479 176.000 -0.034 0.000 0.989 250 Q CA 3.290 59.129 55.803 0.059 0.000 0.853 250 Q CB -0.231 28.637 28.738 0.217 0.000 0.907 250 Q HN 0.299 8.519 8.270 0.030 0.068 0.418 251 A N -1.897 120.723 122.820 -0.335 0.000 1.902 251 A HA -0.265 nan 4.320 nan 0.000 0.217 251 A C 1.862 179.346 177.584 -0.167 0.000 1.181 251 A CA 2.704 54.395 52.037 -0.577 0.000 0.623 251 A CB -0.710 17.720 19.000 -0.949 0.000 0.818 251 A HN -0.135 7.830 8.150 -0.310 0.000 0.443 252 A N -1.310 121.427 122.820 -0.139 0.000 1.902 252 A HA -0.264 nan 4.320 nan 0.000 0.217 252 A C 2.607 180.137 177.584 -0.091 0.000 1.181 252 A CA 2.860 54.842 52.037 -0.092 0.000 0.623 252 A CB -0.568 18.390 19.000 -0.070 0.000 0.818 252 A HN -0.279 7.711 8.150 -0.155 0.068 0.443 253 M N -3.415 116.142 119.600 -0.071 0.000 2.549 253 M HA -0.165 nan 4.480 nan 0.000 0.260 253 M C 0.736 176.986 176.300 -0.083 0.000 1.076 253 M CA 0.847 56.112 55.300 -0.058 0.000 1.090 253 M CB -1.328 31.256 32.600 -0.026 0.000 1.418 253 M HN 0.150 8.403 8.290 -0.063 0.000 0.486 254 E N -3.842 116.279 120.200 -0.132 0.000 2.476 254 E HA 0.230 nan 4.350 nan 0.000 0.199 254 E C 0.968 177.318 176.600 -0.417 0.000 1.021 254 E CA -0.528 55.736 56.400 -0.226 0.000 0.907 254 E CB 0.807 30.396 29.700 -0.185 0.000 0.974 254 E HN -0.438 7.657 8.360 -0.126 0.189 0.489 255 G N -1.509 107.082 108.800 -0.348 0.000 2.211 255 G HA2 -0.348 nan 3.960 nan 0.000 0.201 255 G HA3 -0.348 nan 3.960 nan 0.000 0.201 255 G C -0.467 174.251 174.900 -0.303 0.000 0.997 255 G CA -0.086 44.821 45.100 -0.323 0.000 0.652 255 G HN -0.346 7.639 8.290 -0.239 0.161 0.500 256 Y N 0.126 120.370 120.300 -0.093 0.000 2.346 256 Y HA -0.161 nan 4.550 nan 0.000 0.330 256 Y C -0.467 175.364 175.900 -0.114 0.000 1.178 256 Y CA -0.042 57.993 58.100 -0.108 0.000 1.331 256 Y CB 0.505 38.868 38.460 -0.161 0.000 1.253 256 Y HN -0.703 7.309 8.280 -0.447 0.000 0.529 257 E N 2.745 122.991 120.200 0.076 0.000 2.331 257 E HA 0.125 nan 4.350 nan 0.000 0.272 257 E C -1.695 174.897 176.600 -0.013 0.000 1.036 257 E CA -0.221 56.184 56.400 0.008 0.000 0.864 257 E CB 1.823 31.522 29.700 -0.003 0.000 1.035 257 E HN 0.253 8.679 8.360 0.109 0.000 0.408 258 V N 4.839 124.732 119.914 -0.035 0.000 2.407 258 V HA 0.568 nan 4.120 nan 0.000 0.291 258 V C -0.337 175.733 176.094 -0.041 0.000 1.018 258 V CA -0.773 61.496 62.300 -0.052 0.000 0.842 258 V CB 0.418 32.201 31.823 -0.067 0.000 0.996 258 V HN 0.347 8.518 8.190 -0.032 0.000 0.426 259 T N 7.061 121.589 114.554 -0.043 0.000 2.551 259 T HA 0.551 nan 4.350 nan 0.000 0.249 259 T C -1.948 172.729 174.700 -0.038 0.000 0.851 259 T CA -1.227 60.852 62.100 -0.035 0.000 1.149 259 T CB 1.782 70.630 68.868 -0.033 0.000 1.456 259 T HN 0.656 8.865 8.240 -0.051 0.000 0.514 260 T N -3.330 111.202 114.554 -0.036 0.000 2.885 260 T HA 0.512 nan 4.350 nan 0.000 0.285 260 T C 0.815 175.473 174.700 -0.070 0.000 1.019 260 T CA -1.464 60.611 62.100 -0.041 0.000 1.010 260 T CB 2.370 71.225 68.868 -0.022 0.000 1.022 260 T HN -0.167 8.054 8.240 -0.031 0.000 0.466 261 M N 2.638 122.165 119.600 -0.122 0.000 2.202 261 M HA -0.322 nan 4.480 nan 0.000 0.262 261 M C 0.637 176.763 176.300 -0.290 0.000 1.063 261 M CA 2.383 57.523 55.300 -0.265 0.000 1.097 261 M CB -0.583 31.732 32.600 -0.475 0.000 1.382 261 M HN 0.579 8.808 8.290 -0.101 0.000 0.413 262 D N -1.896 118.447 120.400 -0.096 0.000 2.265 262 D HA -0.262 nan 4.640 nan 0.000 0.208 262 D C 1.508 177.824 176.300 0.026 0.000 0.977 262 D CA 2.772 56.812 54.000 0.066 0.000 0.871 262 D CB -0.834 40.015 40.800 0.083 0.000 0.925 262 D HN 0.396 8.714 8.370 -0.052 0.021 0.485 263 E N -2.131 118.063 120.200 -0.010 0.000 2.256 263 E HA 0.087 nan 4.350 nan 0.000 0.198 263 E C 1.634 178.236 176.600 0.004 0.000 0.908 263 E CA 0.756 57.157 56.400 0.001 0.000 0.915 263 E CB 0.902 30.599 29.700 -0.005 0.000 0.890 263 E HN -0.189 7.967 8.360 -0.034 0.183 0.484 264 A N 0.635 123.447 122.820 -0.013 0.000 1.972 264 A HA -0.182 nan 4.320 nan 0.000 0.219 264 A C 2.352 180.002 177.584 0.109 0.000 1.169 264 A CA 3.014 55.053 52.037 0.002 0.000 0.635 264 A CB -0.525 18.452 19.000 -0.038 0.000 0.810 264 A HN 0.436 8.563 8.150 -0.038 0.000 0.446 265 C N -4.342 115.043 119.300 0.141 0.000 2.403 265 C HA -0.357 nan 4.460 nan 0.000 0.277 265 C C 1.580 176.702 174.990 0.221 0.000 1.248 265 C CA 2.084 61.239 59.018 0.229 0.000 1.762 265 C CB -1.588 26.110 27.740 -0.070 0.000 2.014 265 C HN 0.002 8.221 8.230 0.013 0.018 0.486 266 K N -1.270 119.202 120.400 0.120 0.000 2.442 266 K HA -0.213 nan 4.320 nan 0.000 0.198 266 K C 1.466 178.126 176.600 0.100 0.000 1.042 266 K CA 2.136 58.484 56.287 0.101 0.000 0.958 266 K CB -0.349 32.189 32.500 0.064 0.000 0.766 266 K HN -0.587 7.693 8.250 0.085 0.020 0.474 267 E N -1.722 118.536 120.200 0.097 0.000 2.367 267 E HA 0.095 nan 4.350 nan 0.000 0.204 267 E C 0.174 176.778 176.600 0.006 0.000 0.840 267 E CA -0.073 56.352 56.400 0.041 0.000 1.051 267 E CB 2.450 32.151 29.700 0.001 0.000 1.051 267 E HN -0.034 8.197 8.360 0.122 0.202 0.509 268 G N -1.769 106.999 108.800 -0.054 0.000 2.636 268 G HA2 -0.101 nan 3.960 nan 0.000 0.246 268 G HA3 -0.101 nan 3.960 nan 0.000 0.246 268 G C -1.060 173.812 174.900 -0.046 0.000 1.216 268 G CA 0.281 45.217 45.100 -0.273 0.000 0.854 268 G HN -0.426 7.872 8.290 0.013 0.000 0.572 269 N N -0.264 118.374 118.700 -0.102 0.000 2.317 269 N HA 0.363 nan 4.740 nan 0.000 0.199 269 N C -0.324 175.218 175.510 0.054 0.000 1.145 269 N CA 1.002 54.068 53.050 0.026 0.000 0.882 269 N CB 3.423 41.906 38.487 -0.007 0.000 1.113 269 N HN 0.527 8.675 8.380 -0.209 0.106 0.486 270 I N -0.703 119.815 120.570 -0.085 0.000 2.647 270 I HA 0.451 nan 4.170 nan 0.000 0.295 270 I C -2.159 173.840 176.117 -0.195 0.000 1.078 270 I CA -0.403 60.885 61.300 -0.020 0.000 1.048 270 I CB 3.899 41.864 38.000 -0.060 0.000 1.239 270 I HN -0.538 7.523 8.210 -0.249 0.000 0.421 271 F N 5.004 124.939 119.950 -0.025 0.000 2.507 271 F HA 0.578 nan 4.527 nan 0.000 0.328 271 F C -1.744 174.033 175.800 -0.040 0.000 1.136 271 F CA -1.232 56.741 58.000 -0.045 0.000 0.930 271 F CB 2.804 41.770 39.000 -0.057 0.000 1.166 271 F HN 0.440 8.817 8.300 0.284 0.093 0.436 272 V N 4.325 124.278 119.914 0.066 0.000 2.444 272 V HA 0.639 nan 4.120 nan 0.000 0.294 272 V C -1.221 174.890 176.094 0.028 0.000 1.022 272 V CA -1.474 60.845 62.300 0.032 0.000 0.850 272 V CB 2.280 34.092 31.823 -0.017 0.000 0.992 272 V HN 0.939 9.129 8.190 0.001 0.000 0.426 273 T N 3.805 118.377 114.554 0.031 0.000 2.875 273 T HA 0.576 nan 4.350 nan 0.000 0.284 273 T C 0.045 174.755 174.700 0.016 0.000 0.995 273 T CA -1.797 60.316 62.100 0.022 0.000 1.060 273 T CB 1.756 70.638 68.868 0.023 0.000 0.967 273 T HN 0.039 8.300 8.240 0.035 0.000 0.476 274 T N 4.993 119.556 114.554 0.015 0.000 3.186 274 T HA 0.362 nan 4.350 nan 0.000 0.292 274 T C 0.843 175.560 174.700 0.030 0.000 0.915 274 T CA 1.384 63.493 62.100 0.015 0.000 0.902 274 T CB 0.685 69.547 68.868 -0.010 0.000 1.192 274 T HN 0.363 8.611 8.240 0.013 0.000 0.563 275 T N 2.415 116.989 114.554 0.034 0.000 2.652 275 T HA -0.173 nan 4.350 nan 0.000 0.267 275 T C 1.579 176.320 174.700 0.067 0.000 1.039 275 T CA 2.584 64.708 62.100 0.040 0.000 1.153 275 T CB 0.083 68.966 68.868 0.025 0.000 0.863 275 T HN -0.152 8.186 8.240 0.026 -0.082 0.428 276 G N -0.474 108.384 108.800 0.096 0.000 2.132 276 G HA2 -0.339 nan 3.960 nan 0.000 0.234 276 G HA3 -0.339 nan 3.960 nan 0.000 0.234 276 G C -1.995 172.960 174.900 0.091 0.000 0.989 276 G CA 0.145 45.346 45.100 0.168 0.000 0.676 276 G HN -0.006 8.831 8.290 0.084 -0.497 0.522 277 C N -2.893 116.418 119.300 0.018 0.000 2.779 277 C HA 0.520 nan 4.460 nan 0.000 0.314 277 C C -1.012 173.941 174.990 -0.061 0.000 1.231 277 C CA -2.617 56.386 59.018 -0.026 0.000 1.652 277 C CB 2.774 30.515 27.740 0.002 0.000 2.198 277 C HN -0.477 7.731 8.230 0.027 0.039 0.483 278 V N -2.577 117.295 119.914 -0.070 0.000 3.083 278 V HA 0.310 nan 4.120 nan 0.000 0.306 278 V C -0.538 175.538 176.094 -0.030 0.000 1.077 278 V CA -0.773 61.491 62.300 -0.060 0.000 1.073 278 V CB 0.521 32.311 31.823 -0.055 0.000 1.081 278 V HN 0.121 8.275 8.190 -0.061 0.000 0.474 279 D N -0.346 120.041 120.400 -0.022 0.000 2.746 279 D HA -0.366 nan 4.640 nan 0.000 0.241 279 D C -0.373 175.921 176.300 -0.010 0.000 1.140 279 D CA 1.496 55.486 54.000 -0.018 0.000 0.707 279 D CB -2.009 38.778 40.800 -0.020 0.000 1.034 279 D HN 0.018 8.376 8.370 -0.021 0.000 0.423 280 I N -4.172 116.389 120.570 -0.015 0.000 2.556 280 I HA -0.032 nan 4.170 nan 0.000 0.251 280 I C 0.530 176.624 176.117 -0.039 0.000 1.105 280 I CA 0.547 61.834 61.300 -0.021 0.000 1.436 280 I CB 1.272 39.256 38.000 -0.026 0.000 1.139 280 I HN -0.051 8.149 8.210 -0.017 0.000 0.438 281 I N -0.797 119.721 120.570 -0.087 0.000 2.390 281 I HA 0.148 nan 4.170 nan 0.000 0.283 281 I C -1.882 174.062 176.117 -0.288 0.000 1.016 281 I CA -0.800 60.365 61.300 -0.225 0.000 1.151 281 I CB 0.706 38.420 38.000 -0.475 0.000 1.293 281 I HN -0.250 7.920 8.210 -0.066 0.000 0.458 282 L N 5.202 126.266 121.223 -0.265 0.000 2.397 282 L HA 0.553 nan 4.340 nan 0.000 0.266 282 L C 1.154 177.614 176.870 -0.683 0.000 1.040 282 L CA -2.621 51.968 54.840 -0.418 0.000 0.800 282 L CB 0.629 42.415 42.059 -0.456 0.000 1.324 282 L HN 0.025 8.321 8.230 0.111 0.000 0.469 283 G N -0.126 108.157 108.800 -0.862 0.000 2.440 283 G HA2 -0.360 nan 3.960 nan 0.000 0.218 283 G HA3 -0.360 nan 3.960 nan 0.000 0.218 283 G C 1.156 175.437 174.900 -1.033 0.000 1.154 283 G CA 2.584 46.622 45.100 -1.770 0.000 0.767 283 G HN 0.634 8.507 8.290 -0.695 0.000 0.552 284 R N 0.136 120.213 120.500 -0.704 0.000 2.200 284 R HA -0.289 nan 4.340 nan 0.000 0.234 284 R C 0.696 176.761 176.300 -0.391 0.000 1.127 284 R CA 2.168 57.988 56.100 -0.465 0.000 0.989 284 R CB -1.156 28.893 30.300 -0.418 0.000 0.869 284 R HN 0.285 8.143 8.270 -0.687 0.000 0.459 285 H N -1.495 117.315 119.070 -0.434 0.000 2.355 285 H HA -0.060 nan 4.556 nan 0.000 0.303 285 H C 2.441 177.509 175.328 -0.434 0.000 1.061 285 H CA 1.994 57.779 56.048 -0.440 0.000 1.368 285 H CB 0.635 30.045 29.762 -0.587 0.000 1.412 285 H HN -0.585 7.078 8.280 -0.745 0.170 0.523 286 F N 0.402 120.154 119.950 -0.329 0.000 2.091 286 F HA -0.438 nan 4.527 nan 0.000 0.299 286 F C 2.395 178.107 175.800 -0.146 0.000 1.103 286 F CA 3.740 61.562 58.000 -0.297 0.000 1.228 286 F CB -0.579 38.172 39.000 -0.416 0.000 0.984 286 F HN -0.104 7.719 8.300 -0.689 0.064 0.477 287 E N -2.549 117.655 120.200 0.008 0.000 2.331 287 E HA -0.320 nan 4.350 nan 0.000 0.199 287 E C 1.503 178.139 176.600 0.060 0.000 1.008 287 E CA 2.359 58.803 56.400 0.073 0.000 0.843 287 E CB -0.538 29.187 29.700 0.042 0.000 0.761 287 E HN -0.021 8.233 8.360 -0.177 0.000 0.507 288 Q N -3.854 115.970 119.800 0.040 0.000 2.392 288 Q HA -0.001 nan 4.340 nan 0.000 0.219 288 Q C 0.161 176.234 176.000 0.122 0.000 0.895 288 Q CA -0.111 55.731 55.803 0.066 0.000 0.929 288 Q CB 1.264 30.025 28.738 0.038 0.000 1.077 288 Q HN -0.045 8.023 8.270 -0.004 0.199 0.532 289 M N 0.353 120.017 119.600 0.108 0.000 2.252 289 M HA -0.241 nan 4.480 nan 0.000 0.321 289 M C -0.665 175.763 176.300 0.214 0.000 1.070 289 M CA 1.541 56.924 55.300 0.137 0.000 1.143 289 M CB 0.472 33.107 32.600 0.058 0.000 1.498 289 M HN -0.624 7.594 8.290 0.062 0.109 0.445 290 K N 1.098 121.569 120.400 0.118 0.000 2.149 290 K HA -0.128 nan 4.320 nan 0.000 0.245 290 K C -1.087 175.349 176.600 -0.274 0.000 1.024 290 K CA -0.028 56.216 56.287 -0.072 0.000 0.899 290 K CB 0.585 33.075 32.500 -0.017 0.000 1.038 290 K HN 0.278 8.623 8.250 0.158 0.000 0.496 291 D N -0.242 119.783 120.400 -0.626 0.000 2.417 291 D HA -0.194 nan 4.640 nan 0.000 0.250 291 D C -0.088 176.136 176.300 -0.125 0.000 1.166 291 D CA 1.677 55.410 54.000 -0.445 0.000 0.881 291 D CB -0.129 40.444 40.800 -0.378 0.000 1.164 291 D HN -0.214 7.769 8.370 -0.646 0.000 0.467 292 D N 2.317 122.703 120.400 -0.024 0.000 2.835 292 D HA -0.474 nan 4.640 nan 0.000 0.230 292 D C -1.204 175.131 176.300 0.058 0.000 1.130 292 D CA 0.666 54.683 54.000 0.029 0.000 0.738 292 D CB -0.982 39.827 40.800 0.016 0.000 1.090 292 D HN -0.159 8.213 8.370 0.004 0.000 0.433 293 A N -2.983 119.891 122.820 0.091 0.000 2.425 293 A HA 0.128 nan 4.320 nan 0.000 0.242 293 A C -1.388 176.296 177.584 0.167 0.000 1.077 293 A CA 0.313 52.447 52.037 0.162 0.000 0.781 293 A CB 1.373 20.517 19.000 0.240 0.000 1.020 293 A HN -0.515 7.682 8.150 0.080 0.000 0.494 294 I N -0.128 120.556 120.570 0.191 0.000 2.412 294 I HA 0.562 nan 4.170 nan 0.000 0.296 294 I C -1.341 174.912 176.117 0.227 0.000 0.987 294 I CA -0.460 60.934 61.300 0.157 0.000 1.180 294 I CB 2.007 40.065 38.000 0.096 0.000 1.340 294 I HN 0.217 8.439 8.210 0.212 0.115 0.455 295 V N 5.623 125.648 119.914 0.184 0.000 2.524 295 V HA 0.647 nan 4.120 nan 0.000 0.297 295 V C -1.591 174.583 176.094 0.134 0.000 1.035 295 V CA -1.339 61.078 62.300 0.194 0.000 0.867 295 V CB 1.394 33.337 31.823 0.200 0.000 1.004 295 V HN 0.491 8.771 8.190 0.150 0.000 0.426 296 C N 4.922 124.287 119.300 0.107 0.000 3.154 296 C HA 0.967 nan 4.460 nan 0.000 0.312 296 C C -2.420 172.592 174.990 0.037 0.000 1.349 296 C CA -3.317 55.734 59.018 0.055 0.000 1.518 296 C CB 4.023 31.780 27.740 0.029 0.000 1.934 296 C HN 1.046 9.353 8.230 0.129 0.000 0.462 297 N N -0.731 117.968 118.700 -0.001 0.000 2.258 297 N HA 0.622 nan 4.740 nan 0.000 0.299 297 N C -1.756 173.729 175.510 -0.043 0.000 1.047 297 N CA -0.709 52.334 53.050 -0.012 0.000 0.814 297 N CB 3.014 41.491 38.487 -0.015 0.000 1.413 297 N HN 0.305 8.672 8.380 -0.023 0.000 0.478 298 I N 4.506 125.065 120.570 -0.019 0.000 4.225 298 I HA 0.351 nan 4.170 nan 0.000 0.327 298 I C -1.322 174.802 176.117 0.012 0.000 1.422 298 I CA -2.355 58.933 61.300 -0.019 0.000 1.150 298 I CB 1.258 39.256 38.000 -0.004 0.000 1.192 298 I HN 0.512 8.722 8.210 0.000 0.000 0.440 299 G N -0.464 108.356 108.800 0.034 0.000 2.542 299 G HA2 0.048 nan 3.960 nan 0.000 0.211 299 G HA3 0.048 nan 3.960 nan 0.000 0.211 299 G C -1.617 173.364 174.900 0.135 0.000 1.702 299 G CA 0.042 45.191 45.100 0.080 0.000 0.935 299 G HN -0.625 7.965 8.290 0.026 -0.284 0.509 300 H N 3.169 122.279 119.070 0.067 0.000 2.488 300 H HA 0.118 nan 4.556 nan 0.000 0.322 300 H C -0.674 174.737 175.328 0.137 0.000 1.078 300 H CA -1.967 54.154 56.048 0.121 0.000 1.260 300 H CB 1.704 31.529 29.762 0.105 0.000 1.425 300 H HN 0.004 8.779 8.280 0.230 -0.357 0.471 301 F N 5.894 125.941 119.950 0.163 0.000 2.548 301 F HA -0.466 nan 4.527 nan 0.000 0.403 301 F C 0.591 176.530 175.800 0.232 0.000 1.004 301 F CA 1.753 59.843 58.000 0.151 0.000 1.177 301 F CB 0.304 39.343 39.000 0.066 0.000 0.974 301 F HN 0.575 9.082 8.300 0.345 0.000 0.541 302 D N 0.287 120.788 120.400 0.168 0.000 2.824 302 D HA -0.555 nan 4.640 nan 0.000 0.192 302 D C 0.438 176.804 176.300 0.110 0.000 1.117 302 D CA 2.342 56.424 54.000 0.137 0.000 1.001 302 D CB -1.854 39.049 40.800 0.172 0.000 1.055 302 D HN 0.263 8.602 8.370 -0.051 0.000 0.390 303 V N -6.740 113.231 119.914 0.096 0.000 2.809 303 V HA -0.162 nan 4.120 nan 0.000 0.256 303 V C 0.864 176.946 176.094 -0.019 0.000 1.080 303 V CA 2.085 64.374 62.300 -0.018 0.000 1.102 303 V CB -0.731 30.956 31.823 -0.227 0.000 0.705 303 V HN -0.284 7.924 8.190 0.190 0.096 0.475 304 E N -0.246 119.958 120.200 0.007 0.000 2.216 304 E HA -0.204 nan 4.350 nan 0.000 0.192 304 E C -0.028 176.580 176.600 0.015 0.000 0.988 304 E CA 2.247 58.651 56.400 0.007 0.000 0.834 304 E CB 0.419 30.131 29.700 0.020 0.000 0.772 304 E HN -0.136 8.208 8.360 0.035 0.038 0.479 305 I N -3.043 117.554 120.570 0.045 0.000 2.441 305 I HA 0.189 nan 4.170 nan 0.000 0.295 305 I C -1.230 174.963 176.117 0.127 0.000 0.994 305 I CA -1.628 59.723 61.300 0.084 0.000 1.144 305 I CB 2.222 40.301 38.000 0.132 0.000 1.314 305 I HN -0.935 7.306 8.210 0.051 0.000 0.445 306 D N 7.641 128.153 120.400 0.186 0.000 2.508 306 D HA 0.057 nan 4.640 nan 0.000 0.224 306 D C 0.474 176.920 176.300 0.243 0.000 1.171 306 D CA -0.603 53.520 54.000 0.205 0.000 1.006 306 D CB -0.979 39.937 40.800 0.194 0.000 1.073 306 D HN 0.228 8.708 8.370 0.183 0.000 0.513 307 V N 3.913 123.909 119.914 0.137 0.000 2.358 307 V HA -0.380 nan 4.120 nan 0.000 0.246 307 V C 1.416 177.530 176.094 0.033 0.000 1.047 307 V CA 3.742 66.071 62.300 0.047 0.000 1.035 307 V CB -0.231 31.628 31.823 0.059 0.000 0.658 307 V HN -0.235 7.995 8.190 0.123 0.034 0.452 308 K N -1.026 119.422 120.400 0.080 0.000 2.074 308 K HA -0.389 nan 4.320 nan 0.000 0.209 308 K C 1.830 178.458 176.600 0.047 0.000 1.048 308 K CA 3.346 59.669 56.287 0.060 0.000 0.926 308 K CB -0.657 31.885 32.500 0.070 0.000 0.713 308 K HN 0.033 8.339 8.250 0.094 0.000 0.444 309 W N -0.131 121.131 121.300 -0.063 0.000 2.335 309 W HA -0.368 nan 4.660 nan 0.000 0.311 309 W C 1.642 178.044 176.519 -0.195 0.000 1.213 309 W CA 3.916 61.212 57.345 -0.081 0.000 1.274 309 W CB -0.170 29.282 29.460 -0.015 0.000 1.148 309 W HN -0.779 7.723 8.180 0.281 -0.153 0.498 310 L N -2.504 118.675 121.223 -0.074 0.000 1.989 310 L HA -0.667 nan 4.340 nan 0.000 0.211 310 L C 2.255 178.900 176.870 -0.375 0.000 1.071 310 L CA 3.290 57.806 54.840 -0.541 0.000 0.749 310 L CB -0.647 40.720 42.059 -1.154 0.000 0.890 310 L HN -0.865 7.297 8.230 0.024 0.082 0.431 311 N N -1.084 117.539 118.700 -0.127 0.000 2.149 311 N HA -0.278 nan 4.740 nan 0.000 0.188 311 N C 2.208 177.674 175.510 -0.074 0.000 1.019 311 N CA 2.683 55.764 53.050 0.051 0.000 0.857 311 N CB -0.279 38.240 38.487 0.055 0.000 0.997 311 N HN 0.021 8.265 8.380 -0.133 0.057 0.426 312 E N -3.895 116.188 120.200 -0.195 0.000 2.474 312 E HA 0.046 nan 4.350 nan 0.000 0.194 312 E C 0.189 176.562 176.600 -0.379 0.000 1.041 312 E CA 1.313 57.571 56.400 -0.237 0.000 0.874 312 E CB 0.430 30.010 29.700 -0.200 0.000 0.914 312 E HN 0.156 8.172 8.360 -0.221 0.212 0.498 313 N N -3.062 115.281 118.700 -0.595 0.000 2.143 313 N HA 0.145 nan 4.740 nan 0.000 0.222 313 N C -1.605 173.630 175.510 -0.458 0.000 1.264 313 N CA 0.299 52.929 53.050 -0.700 0.000 0.897 313 N CB 2.556 40.159 38.487 -1.472 0.000 1.092 313 N HN -0.320 7.543 8.380 -0.608 0.152 0.516 314 A N 0.462 123.111 122.820 -0.285 0.000 2.331 314 A HA 0.219 nan 4.320 nan 0.000 0.283 314 A C 0.509 178.065 177.584 -0.046 0.000 1.142 314 A CA -0.340 51.651 52.037 -0.078 0.000 0.812 314 A CB 0.770 19.876 19.000 0.176 0.000 1.074 314 A HN -0.567 7.424 8.150 -0.264 0.000 0.497 315 V N 3.364 123.261 119.914 -0.027 0.000 2.358 315 V HA -0.213 nan 4.120 nan 0.000 0.246 315 V C 0.746 176.827 176.094 -0.022 0.000 1.047 315 V CA 2.489 64.772 62.300 -0.028 0.000 1.035 315 V CB 0.094 31.908 31.823 -0.015 0.000 0.658 315 V HN 0.492 8.675 8.190 -0.012 0.000 0.452 316 E N -3.426 116.767 120.200 -0.012 0.000 2.370 316 E HA 0.438 nan 4.350 nan 0.000 0.259 316 E C -2.033 174.519 176.600 -0.081 0.000 0.947 316 E CA -1.478 54.898 56.400 -0.040 0.000 0.809 316 E CB 3.680 33.360 29.700 -0.034 0.000 1.300 316 E HN -0.723 7.644 8.360 0.011 0.000 0.419 317 K N -0.836 119.466 120.400 -0.163 0.000 2.579 317 K HA 0.307 nan 4.320 nan 0.000 0.257 317 K C -1.925 174.517 176.600 -0.263 0.000 0.950 317 K CA -0.273 55.794 56.287 -0.366 0.000 0.862 317 K CB 2.567 34.792 32.500 -0.458 0.000 1.317 317 K HN 0.061 8.236 8.250 -0.126 0.000 0.436 318 V N 1.891 121.645 119.914 -0.267 0.000 2.760 318 V HA 0.426 nan 4.120 nan 0.000 0.309 318 V C -2.428 173.574 176.094 -0.154 0.000 1.077 318 V CA -1.922 60.280 62.300 -0.163 0.000 0.910 318 V CB 3.876 35.639 31.823 -0.100 0.000 1.008 318 V HN 0.741 8.728 8.190 -0.337 0.000 0.424 319 N N 6.135 124.768 118.700 -0.112 0.000 2.406 319 N HA 0.187 nan 4.740 nan 0.000 0.251 319 N C -0.024 175.452 175.510 -0.057 0.000 1.069 319 N CA 0.317 53.316 53.050 -0.084 0.000 0.947 319 N CB 0.050 38.498 38.487 -0.064 0.000 1.111 319 N HN 0.328 8.649 8.380 -0.099 0.000 0.497 320 I N 6.125 126.667 120.570 -0.047 0.000 2.406 320 I HA -0.181 nan 4.170 nan 0.000 0.249 320 I C -0.017 176.088 176.117 -0.020 0.000 1.122 320 I CA 1.881 63.164 61.300 -0.029 0.000 1.431 320 I CB 0.736 38.724 38.000 -0.020 0.000 1.087 320 I HN 0.612 8.791 8.210 -0.052 0.000 0.424 321 K N -3.141 117.247 120.400 -0.019 0.000 2.711 321 K HA 0.329 nan 4.320 nan 0.000 0.294 321 K C -3.040 173.551 176.600 -0.014 0.000 1.037 321 K CA -2.297 53.982 56.287 -0.013 0.000 0.858 321 K CB 0.162 32.657 32.500 -0.008 0.000 1.521 321 K HN -0.566 7.670 8.250 -0.023 0.000 0.386 322 P HA -0.135 nan 4.420 nan 0.000 0.262 322 P C -0.957 176.336 177.300 -0.012 0.000 1.182 322 P CA 1.832 64.925 63.100 -0.012 0.000 0.761 322 P CB -0.424 31.272 31.700 -0.007 0.000 0.795 323 Q N -4.504 115.287 119.800 -0.015 0.000 2.416 323 Q HA -0.470 nan 4.340 nan 0.000 0.235 323 Q C -1.072 174.925 176.000 -0.005 0.000 0.773 323 Q CA 1.494 57.289 55.803 -0.014 0.000 1.286 323 Q CB -2.106 26.620 28.738 -0.020 0.000 1.556 323 Q HN 0.518 8.779 8.270 -0.016 0.000 0.650 324 V N -0.167 119.743 119.914 -0.007 0.000 2.380 324 V HA 0.356 nan 4.120 nan 0.000 0.286 324 V C -1.906 174.179 176.094 -0.014 0.000 1.015 324 V CA -0.596 61.704 62.300 -0.000 0.000 0.834 324 V CB 1.112 32.934 31.823 -0.002 0.000 1.009 324 V HN 0.096 8.219 8.190 -0.013 0.059 0.428 325 D N 7.738 128.136 120.400 -0.003 0.000 2.342 325 D HA 0.796 nan 4.640 nan 0.000 0.243 325 D C -2.459 173.819 176.300 -0.036 0.000 1.019 325 D CA -0.846 53.114 54.000 -0.068 0.000 0.864 325 D CB 4.447 45.192 40.800 -0.093 0.000 1.315 325 D HN 0.175 8.564 8.370 0.033 0.000 0.468 326 R N 0.678 121.094 120.500 -0.140 0.000 2.502 326 R HA 0.637 nan 4.340 nan 0.000 0.300 326 R C -1.718 174.505 176.300 -0.129 0.000 0.984 326 R CA -0.907 55.175 56.100 -0.030 0.000 0.882 326 R CB 3.397 33.689 30.300 -0.012 0.000 1.180 326 R HN 0.508 8.636 8.270 -0.237 0.000 0.444 327 Y N 4.745 125.031 120.300 -0.024 0.000 2.387 327 Y HA 0.323 nan 4.550 nan 0.000 0.336 327 Y C -1.376 174.519 175.900 -0.008 0.000 1.067 327 Y CA -1.424 56.655 58.100 -0.035 0.000 1.114 327 Y CB 2.249 40.666 38.460 -0.071 0.000 1.208 327 Y HN 0.812 9.220 8.280 0.398 0.111 0.458 328 L N 2.189 123.492 121.223 0.134 0.000 2.282 328 L HA 0.655 nan 4.340 nan 0.000 0.288 328 L C -1.725 175.201 176.870 0.093 0.000 1.033 328 L CA -1.268 53.631 54.840 0.097 0.000 0.807 328 L CB 1.787 43.876 42.059 0.049 0.000 1.209 328 L HN -0.173 8.116 8.230 0.099 0.000 0.423 329 L N 3.377 124.662 121.223 0.102 0.000 2.387 329 L HA 0.315 nan 4.340 nan 0.000 0.266 329 L C 1.192 178.090 176.870 0.046 0.000 1.059 329 L CA -0.943 53.946 54.840 0.081 0.000 0.801 329 L CB 1.052 43.201 42.059 0.150 0.000 1.223 329 L HN 0.917 9.223 8.230 0.127 0.000 0.456 330 K N 2.612 123.027 120.400 0.025 0.000 2.360 330 K HA -0.351 nan 4.320 nan 0.000 0.201 330 K C 0.564 177.166 176.600 0.004 0.000 1.046 330 K CA 2.998 59.290 56.287 0.008 0.000 0.945 330 K CB -0.372 32.127 32.500 -0.001 0.000 0.750 330 K HN 0.781 9.045 8.250 0.022 0.000 0.464 331 N N -3.897 114.802 118.700 -0.002 0.000 2.398 331 N HA -0.047 nan 4.740 nan 0.000 0.188 331 N C 0.555 176.005 175.510 -0.101 0.000 1.122 331 N CA -0.415 52.594 53.050 -0.068 0.000 0.866 331 N CB -1.093 37.323 38.487 -0.119 0.000 0.970 331 N HN -0.538 7.807 8.380 0.028 0.052 0.462 332 G N -0.664 108.129 108.800 -0.012 0.000 2.194 332 G HA2 -0.436 nan 3.960 nan 0.000 0.236 332 G HA3 -0.436 nan 3.960 nan 0.000 0.236 332 G C -0.843 174.159 174.900 0.170 0.000 0.987 332 G CA 0.196 45.325 45.100 0.048 0.000 0.635 332 G HN -0.008 8.107 8.290 0.016 0.185 0.520 333 H N 1.914 121.023 119.070 0.065 0.000 2.482 333 H HA 0.115 nan 4.556 nan 0.000 0.344 333 H C -1.336 174.041 175.328 0.081 0.000 1.151 333 H CA -0.460 55.632 56.048 0.072 0.000 1.300 333 H CB 1.628 31.440 29.762 0.083 0.000 1.494 333 H HN 0.157 8.815 8.280 0.087 -0.325 0.542 334 R N 0.264 120.880 120.500 0.193 0.000 2.532 334 R HA 0.634 nan 4.340 nan 0.000 0.295 334 R C -1.353 175.033 176.300 0.142 0.000 0.968 334 R CA -1.433 54.753 56.100 0.144 0.000 0.916 334 R CB 1.398 31.755 30.300 0.095 0.000 1.124 334 R HN 0.456 9.104 8.270 0.146 -0.291 0.463 335 I N 3.138 123.805 120.570 0.162 0.000 2.382 335 I HA 0.413 nan 4.170 nan 0.000 0.286 335 I C -0.983 175.243 176.117 0.181 0.000 1.002 335 I CA -2.256 59.132 61.300 0.146 0.000 1.135 335 I CB 1.215 39.249 38.000 0.058 0.000 1.288 335 I HN 0.671 8.888 8.210 0.193 0.108 0.448 336 I N 8.051 128.706 120.570 0.143 0.000 2.301 336 I HA 0.265 nan 4.170 nan 0.000 0.292 336 I C -1.832 174.366 176.117 0.136 0.000 1.046 336 I CA -0.272 61.104 61.300 0.127 0.000 1.282 336 I CB 0.000 38.052 38.000 0.086 0.000 1.409 336 I HN 0.319 8.606 8.210 0.129 0.000 0.484 337 L N 7.323 128.643 121.223 0.161 0.000 2.317 337 L HA 0.726 nan 4.340 nan 0.000 0.281 337 L C -2.189 174.740 176.870 0.098 0.000 1.024 337 L CA -1.629 53.296 54.840 0.141 0.000 0.810 337 L CB 2.665 44.835 42.059 0.186 0.000 1.240 337 L HN 0.543 8.888 8.230 0.192 0.000 0.427 338 L N 3.017 124.280 121.223 0.067 0.000 2.325 338 L HA 0.537 nan 4.340 nan 0.000 0.278 338 L C -0.037 176.836 176.870 0.005 0.000 1.023 338 L CA -1.338 53.520 54.840 0.030 0.000 0.811 338 L CB 1.133 43.203 42.059 0.017 0.000 1.249 338 L HN -0.066 8.208 8.230 0.073 0.000 0.431 339 A N 1.357 124.170 122.820 -0.012 0.000 2.798 339 A HA -0.451 nan 4.320 nan 0.000 0.282 339 A C -0.018 177.546 177.584 -0.034 0.000 1.464 339 A CA 1.362 53.373 52.037 -0.042 0.000 0.844 339 A CB -1.525 17.420 19.000 -0.091 0.000 1.006 339 A HN 1.055 9.107 8.150 -0.006 0.094 0.577 340 E N -6.081 114.126 120.200 0.011 0.000 2.539 340 E HA -0.471 nan 4.350 nan 0.000 0.253 340 E C 0.046 176.660 176.600 0.024 0.000 1.145 340 E CA 0.671 57.094 56.400 0.037 0.000 0.738 340 E CB -2.144 27.576 29.700 0.033 0.000 1.308 340 E HN 0.577 8.914 8.360 0.024 0.038 0.409 341 G N -5.308 103.497 108.800 0.009 0.000 2.159 341 G HA2 -0.490 nan 3.960 nan 0.000 0.256 341 G HA3 -0.490 nan 3.960 nan 0.000 0.256 341 G C -0.622 174.230 174.900 -0.080 0.000 0.977 341 G CA 0.306 45.406 45.100 0.001 0.000 0.652 341 G HN 0.162 8.333 8.290 0.011 0.125 0.531 342 R N -1.359 119.036 120.500 -0.176 0.000 2.541 342 R HA 0.088 nan 4.340 nan 0.000 0.254 342 R C -0.367 175.658 176.300 -0.459 0.000 1.130 342 R CA -2.038 53.781 56.100 -0.469 0.000 1.152 342 R CB 1.238 31.196 30.300 -0.571 0.000 1.222 342 R HN -0.232 7.768 8.270 -0.128 0.194 0.579 343 L N -0.478 120.308 121.223 -0.727 0.000 2.698 343 L HA -0.284 nan 4.340 nan 0.000 0.272 343 L C 0.909 177.646 176.870 -0.221 0.000 1.154 343 L CA 0.863 55.475 54.840 -0.381 0.000 0.964 343 L CB -1.196 40.667 42.059 -0.327 0.000 1.272 343 L HN 0.077 7.459 8.230 -1.413 0.000 0.483 344 V N 6.298 126.133 119.914 -0.131 0.000 2.392 344 V HA -0.536 nan 4.120 nan 0.000 0.249 344 V C 1.097 177.156 176.094 -0.058 0.000 1.059 344 V CA 3.719 65.972 62.300 -0.079 0.000 1.051 344 V CB -0.007 31.789 31.823 -0.046 0.000 0.658 344 V HN 0.831 8.949 8.190 -0.119 0.000 0.455 345 N N -2.000 116.670 118.700 -0.050 0.000 2.166 345 N HA -0.322 nan 4.740 nan 0.000 0.186 345 N C 1.712 177.197 175.510 -0.042 0.000 1.019 345 N CA 3.050 56.084 53.050 -0.027 0.000 0.856 345 N CB -0.544 37.945 38.487 0.003 0.000 0.993 345 N HN 0.237 8.584 8.380 -0.054 0.000 0.426 346 L N -1.370 119.813 121.223 -0.066 0.000 2.202 346 L HA 0.040 nan 4.340 nan 0.000 0.205 346 L C 1.964 178.812 176.870 -0.037 0.000 1.083 346 L CA 1.690 56.501 54.840 -0.048 0.000 0.790 346 L CB -0.028 42.015 42.059 -0.028 0.000 0.942 346 L HN -0.655 7.523 8.230 -0.087 0.000 0.452 347 G N -1.551 107.209 108.800 -0.066 0.000 2.408 347 G HA2 -0.162 nan 3.960 nan 0.000 0.215 347 G HA3 -0.162 nan 3.960 nan 0.000 0.215 347 G C 0.418 175.296 174.900 -0.037 0.000 1.156 347 G CA 1.615 46.680 45.100 -0.059 0.000 0.793 347 G HN 0.333 8.458 8.290 -0.096 0.108 0.535 348 C N -1.467 117.812 119.300 -0.034 0.000 3.183 348 C HA 0.355 nan 4.460 nan 0.000 0.285 348 C C -1.270 173.714 174.990 -0.009 0.000 1.313 348 C CA -1.548 57.459 59.018 -0.019 0.000 1.711 348 C CB -0.822 26.905 27.740 -0.021 0.000 2.135 348 C HN -0.131 7.955 8.230 -0.043 0.117 0.651 349 A N -0.767 122.049 122.820 -0.006 0.000 3.434 349 A HA 0.333 nan 4.320 nan 0.000 0.247 349 A C -1.424 176.169 177.584 0.014 0.000 1.075 349 A CA -0.627 51.415 52.037 0.008 0.000 0.737 349 A CB 1.395 20.403 19.000 0.013 0.000 1.412 349 A HN -0.847 7.294 8.150 -0.014 0.000 0.691 350 M N -0.431 119.186 119.600 0.028 0.000 2.576 350 M HA 0.190 nan 4.480 nan 0.000 0.322 350 M C 0.720 177.036 176.300 0.028 0.000 1.184 350 M CA -1.366 53.954 55.300 0.034 0.000 0.967 350 M CB -0.769 31.861 32.600 0.050 0.000 1.372 350 M HN 0.165 8.476 8.290 0.036 0.000 0.509 351 G N -0.131 108.672 108.800 0.005 0.000 2.645 351 G HA2 -0.390 nan 3.960 nan 0.000 0.239 351 G HA3 -0.390 nan 3.960 nan 0.000 0.239 351 G C -1.293 173.644 174.900 0.061 0.000 1.331 351 G CA -0.028 45.043 45.100 -0.048 0.000 0.890 351 G HN -0.238 7.989 8.290 0.003 0.066 0.572 352 H N 1.316 120.416 119.070 0.051 0.000 2.629 352 H HA 0.060 nan 4.556 nan 0.000 0.357 352 H C -1.528 173.844 175.328 0.072 0.000 1.121 352 H CA -2.071 54.017 56.048 0.068 0.000 1.406 352 H CB 0.127 29.933 29.762 0.074 0.000 1.456 352 H HN 0.274 8.457 8.280 -0.161 0.000 0.579 353 P HA 0.046 nan 4.420 nan 0.000 0.271 353 P C 0.446 177.838 177.300 0.153 0.000 1.233 353 P CA -0.125 63.074 63.100 0.164 0.000 0.789 353 P CB 0.714 32.508 31.700 0.157 0.000 0.951 354 S N 1.811 117.588 115.700 0.128 0.000 2.365 354 S HA -0.342 nan 4.470 nan 0.000 0.225 354 S C 2.042 176.692 174.600 0.083 0.000 1.039 354 S CA 3.582 61.836 58.200 0.090 0.000 1.033 354 S CB -0.143 63.109 63.200 0.087 0.000 0.887 354 S HN 0.484 8.867 8.310 0.123 0.000 0.447 355 F N 0.633 120.577 119.950 -0.008 0.000 2.120 355 F HA -0.374 nan 4.527 nan 0.000 0.300 355 F C 1.214 176.915 175.800 -0.166 0.000 1.095 355 F CA 3.502 61.473 58.000 -0.047 0.000 1.249 355 F CB 0.105 39.105 39.000 -0.000 0.000 0.995 355 F HN -0.029 8.447 8.300 0.294 0.000 0.480 356 V N -1.734 118.287 119.914 0.178 0.000 2.358 356 V HA -0.356 nan 4.120 nan 0.000 0.246 356 V C 1.528 177.524 176.094 -0.163 0.000 1.047 356 V CA 3.929 66.282 62.300 0.089 0.000 1.035 356 V CB -0.427 31.539 31.823 0.237 0.000 0.658 356 V HN -0.637 7.700 8.190 0.258 0.008 0.452 357 M N -0.798 118.689 119.600 -0.190 0.000 2.159 357 M HA -0.217 nan 4.480 nan 0.000 0.263 357 M C 2.492 178.428 176.300 -0.606 0.000 1.063 357 M CA 1.517 56.502 55.300 -0.524 0.000 1.110 357 M CB -2.095 30.200 32.600 -0.509 0.000 1.374 357 M HN -0.838 7.335 8.290 -0.065 0.078 0.411 358 S N -0.726 114.765 115.700 -0.348 0.000 2.402 358 S HA -0.359 nan 4.470 nan 0.000 0.233 358 S C 2.185 176.665 174.600 -0.201 0.000 1.030 358 S CA 3.722 61.794 58.200 -0.214 0.000 1.003 358 S CB -0.397 62.676 63.200 -0.212 0.000 0.813 358 S HN 0.447 8.396 8.310 -0.272 0.198 0.477 359 N N 0.444 118.848 118.700 -0.493 0.000 2.207 359 N HA -0.122 nan 4.740 nan 0.000 0.182 359 N C 2.236 177.613 175.510 -0.223 0.000 1.020 359 N CA 3.341 56.066 53.050 -0.542 0.000 0.858 359 N CB 0.162 38.130 38.487 -0.864 0.000 0.991 359 N HN -0.472 7.420 8.380 -0.582 0.139 0.427 360 S N 2.009 117.576 115.700 -0.221 0.000 2.368 360 S HA -0.269 nan 4.470 nan 0.000 0.225 360 S C 2.148 176.824 174.600 0.126 0.000 1.030 360 S CA 3.675 61.830 58.200 -0.076 0.000 0.999 360 S CB -0.182 62.929 63.200 -0.148 0.000 0.844 360 S HN -0.539 7.580 8.310 -0.318 0.000 0.459 361 F N -0.195 119.761 119.950 0.011 0.000 2.234 361 F HA 0.018 nan 4.527 nan 0.000 0.296 361 F C 1.899 177.705 175.800 0.010 0.000 1.089 361 F CA 1.024 59.035 58.000 0.019 0.000 1.343 361 F CB -1.370 37.636 39.000 0.010 0.000 1.040 361 F HN 0.466 8.586 8.300 -0.300 0.000 0.498 362 T N 2.088 116.746 114.554 0.173 0.000 2.881 362 T HA -0.372 nan 4.350 nan 0.000 0.270 362 T C 2.167 176.923 174.700 0.093 0.000 1.068 362 T CA 5.009 67.178 62.100 0.115 0.000 1.131 362 T CB -0.706 68.233 68.868 0.118 0.000 0.871 362 T HN -0.241 8.071 8.240 0.120 0.000 0.479 363 N N 1.388 120.141 118.700 0.088 0.000 2.120 363 N HA -0.346 nan 4.740 nan 0.000 0.188 363 N C 1.549 177.106 175.510 0.079 0.000 1.024 363 N CA 3.944 57.038 53.050 0.072 0.000 0.852 363 N CB 0.079 38.607 38.487 0.068 0.000 1.003 363 N HN -0.368 7.966 8.380 0.082 0.096 0.424 364 Q N 0.813 120.684 119.800 0.118 0.000 2.046 364 Q HA -0.220 nan 4.340 nan 0.000 0.200 364 Q C 2.306 178.337 176.000 0.052 0.000 0.975 364 Q CA 3.453 59.311 55.803 0.092 0.000 0.836 364 Q CB 0.026 28.843 28.738 0.130 0.000 0.896 364 Q HN -0.563 7.697 8.270 0.170 0.112 0.428 365 V N 1.148 121.095 119.914 0.056 0.000 2.332 365 V HA -0.499 nan 4.120 nan 0.000 0.248 365 V C 2.253 178.342 176.094 -0.008 0.000 1.055 365 V CA 4.755 67.066 62.300 0.017 0.000 1.038 365 V CB -1.017 30.820 31.823 0.024 0.000 0.651 365 V HN 0.395 8.638 8.190 0.089 0.000 0.450 366 M N -1.253 118.351 119.600 0.006 0.000 2.065 366 M HA -0.451 nan 4.480 nan 0.000 0.259 366 M C 2.136 178.428 176.300 -0.014 0.000 1.071 366 M CA 2.633 57.928 55.300 -0.009 0.000 1.109 366 M CB -1.669 30.942 32.600 0.018 0.000 1.313 366 M HN -0.046 8.258 8.290 0.032 0.006 0.408 367 A N -1.786 121.029 122.820 -0.008 0.000 1.908 367 A HA -0.414 nan 4.320 nan 0.000 0.218 367 A C 2.174 179.742 177.584 -0.027 0.000 1.181 367 A CA 3.267 55.283 52.037 -0.036 0.000 0.627 367 A CB -1.066 17.914 19.000 -0.034 0.000 0.818 367 A HN -0.080 8.075 8.150 0.008 0.000 0.445 368 Q N -1.008 118.787 119.800 -0.010 0.000 2.002 368 Q HA -0.320 nan 4.340 nan 0.000 0.204 368 Q C 2.470 178.507 176.000 0.062 0.000 0.988 368 Q CA 3.007 58.811 55.803 0.001 0.000 0.843 368 Q CB -0.334 28.388 28.738 -0.027 0.000 0.908 368 Q HN -0.259 8.007 8.270 -0.007 0.000 0.420 369 I N -0.575 120.014 120.570 0.031 0.000 2.208 369 I HA -0.571 nan 4.170 nan 0.000 0.245 369 I C 2.162 178.363 176.117 0.140 0.000 1.097 369 I CA 3.962 65.299 61.300 0.063 0.000 1.363 369 I CB -0.380 37.563 38.000 -0.095 0.000 1.051 369 I HN 0.085 8.288 8.210 -0.011 0.000 0.413 370 E N 0.252 120.510 120.200 0.097 0.000 2.015 370 E HA -0.273 nan 4.350 nan 0.000 0.191 370 E C 2.997 179.747 176.600 0.250 0.000 0.991 370 E CA 3.495 59.991 56.400 0.160 0.000 0.802 370 E CB 0.080 29.791 29.700 0.017 0.000 0.759 370 E HN -0.310 8.072 8.360 0.036 0.000 0.447 371 L N -0.752 120.526 121.223 0.092 0.000 2.042 371 L HA -0.336 nan 4.340 nan 0.000 0.210 371 L C 2.784 179.786 176.870 0.220 0.000 1.076 371 L CA 2.949 57.843 54.840 0.090 0.000 0.749 371 L CB -0.272 41.769 42.059 -0.029 0.000 0.893 371 L HN -0.108 8.128 8.230 0.010 0.000 0.432 372 W N -0.018 121.293 121.300 0.018 0.000 2.355 372 W HA -0.400 nan 4.660 nan 0.000 0.309 372 W C 1.150 177.666 176.519 -0.005 0.000 1.206 372 W CA 3.088 60.430 57.345 -0.006 0.000 1.284 372 W CB 0.490 29.930 29.460 -0.033 0.000 1.145 372 W HN -0.172 8.203 8.180 0.334 0.005 0.502 373 T N -2.580 111.944 114.554 -0.050 0.000 3.148 373 T HA -0.076 nan 4.350 nan 0.000 0.253 373 T C -0.389 174.003 174.700 -0.514 0.000 1.134 373 T CA 1.832 63.748 62.100 -0.305 0.000 1.051 373 T CB -0.649 68.125 68.868 -0.158 0.000 0.959 373 T HN -0.466 7.890 8.240 0.194 0.000 0.525 374 H N -0.121 118.911 119.070 -0.064 0.000 2.511 374 H HA 0.396 nan 4.556 nan 0.000 0.228 374 H C -2.048 173.274 175.328 -0.009 0.000 1.424 374 H CA -3.307 52.727 56.048 -0.023 0.000 1.321 374 H CB -0.381 29.420 29.762 0.065 0.000 1.720 374 H HN -0.668 7.481 8.280 0.098 0.190 0.512 375 P HA -0.245 nan 4.420 nan 0.000 0.216 375 P C 0.293 177.595 177.300 0.002 0.000 1.153 375 P CA 1.677 64.754 63.100 -0.037 0.000 0.858 375 P CB 0.156 31.773 31.700 -0.138 0.000 0.789 376 D N -0.003 120.384 120.400 -0.023 0.000 3.139 376 D HA 0.126 nan 4.640 nan 0.000 0.268 376 D C -0.763 175.510 176.300 -0.045 0.000 1.322 376 D CA 0.135 54.119 54.000 -0.026 0.000 0.940 376 D CB -1.491 39.286 40.800 -0.040 0.000 1.050 376 D HN 0.516 8.858 8.370 -0.046 0.000 0.503 377 K N -0.799 119.564 120.400 -0.062 0.000 2.556 377 K HA 0.026 nan 4.320 nan 0.000 0.201 377 K C -0.469 175.826 176.600 -0.509 0.000 1.423 377 K CA 0.677 56.810 56.287 -0.257 0.000 1.010 377 K CB 2.418 34.756 32.500 -0.270 0.000 1.409 377 K HN -0.499 7.688 8.250 0.007 0.067 0.538 378 Y N 0.995 121.236 120.300 -0.098 0.000 2.353 378 Y HA 0.322 nan 4.550 nan 0.000 0.340 378 Y C -2.080 173.795 175.900 -0.041 0.000 0.972 378 Y CA -2.874 55.107 58.100 -0.200 0.000 1.157 378 Y CB -0.143 38.118 38.460 -0.332 0.000 1.157 378 Y HN -0.347 7.967 8.280 0.058 0.000 0.495 379 P HA 0.085 nan 4.420 nan 0.000 0.274 379 P C -1.388 176.080 177.300 0.280 0.000 1.231 379 P CA -0.647 62.567 63.100 0.189 0.000 0.790 379 P CB 0.650 32.465 31.700 0.192 0.000 0.951 380 V N 1.477 121.494 119.914 0.170 0.000 2.452 380 V HA -0.129 nan 4.120 nan 0.000 0.286 380 V C -0.044 176.128 176.094 0.130 0.000 0.995 380 V CA 1.988 64.376 62.300 0.147 0.000 1.116 380 V CB -1.385 30.493 31.823 0.093 0.000 0.954 380 V HN 0.285 8.550 8.190 0.124 0.000 0.473 381 G N 4.978 113.856 108.800 0.129 0.000 2.316 381 G HA2 -0.121 nan 3.960 nan 0.000 0.296 381 G HA3 -0.121 nan 3.960 nan 0.000 0.296 381 G C -3.228 171.587 174.900 -0.141 0.000 1.399 381 G CA 0.061 45.129 45.100 -0.053 0.000 0.833 381 G HN -0.523 7.877 8.290 0.185 0.000 0.565 382 V N 0.998 120.732 119.914 -0.300 0.000 2.333 382 V HA 0.635 nan 4.120 nan 0.000 0.274 382 V C -1.335 174.507 176.094 -0.419 0.000 1.028 382 V CA -1.917 60.181 62.300 -0.337 0.000 0.851 382 V CB 0.405 31.866 31.823 -0.602 0.000 1.000 382 V HN 0.026 8.057 8.190 -0.266 0.000 0.456 383 H N 8.386 127.368 119.070 -0.145 0.000 2.585 383 H HA 0.321 nan 4.556 nan 0.000 0.338 383 H C -0.849 174.391 175.328 -0.146 0.000 1.295 383 H CA -2.203 53.797 56.048 -0.080 0.000 1.356 383 H CB 3.185 33.014 29.762 0.112 0.000 1.736 383 H HN 0.516 8.763 8.280 0.129 0.110 0.629 384 F N -1.951 118.131 119.950 0.219 0.000 2.450 384 F HA 0.246 nan 4.527 nan 0.000 0.328 384 F C -0.996 174.869 175.800 0.107 0.000 1.068 384 F CA -1.059 57.024 58.000 0.139 0.000 1.007 384 F CB 1.462 40.546 39.000 0.141 0.000 1.251 384 F HN 0.052 8.607 8.300 0.425 0.000 0.492 385 L N 2.284 123.686 121.223 0.300 0.000 2.418 385 L HA 0.150 nan 4.340 nan 0.000 0.274 385 L C -1.474 175.485 176.870 0.149 0.000 1.135 385 L CA -2.133 52.799 54.840 0.155 0.000 0.870 385 L CB 0.311 42.434 42.059 0.107 0.000 1.154 385 L HN 0.065 8.506 8.230 0.351 0.000 0.462 386 P HA -0.014 nan 4.420 nan 0.000 0.261 386 P C 0.107 177.447 177.300 0.067 0.000 1.173 386 P CA 0.231 63.391 63.100 0.100 0.000 0.760 386 P CB 0.531 32.272 31.700 0.069 0.000 0.783 387 K N 5.943 126.378 120.400 0.058 0.000 2.160 387 K HA -0.461 nan 4.320 nan 0.000 0.206 387 K C 1.866 178.479 176.600 0.022 0.000 1.047 387 K CA 3.983 60.299 56.287 0.048 0.000 0.930 387 K CB 0.119 32.653 32.500 0.056 0.000 0.720 387 K HN 0.646 8.935 8.250 0.064 0.000 0.450 388 K N -2.117 118.279 120.400 -0.007 0.000 2.283 388 K HA -0.213 nan 4.320 nan 0.000 0.202 388 K C 2.080 178.686 176.600 0.009 0.000 1.048 388 K CA 2.592 58.860 56.287 -0.031 0.000 0.948 388 K CB -0.384 32.080 32.500 -0.061 0.000 0.742 388 K HN 0.085 8.317 8.250 -0.005 0.014 0.458 389 L N -1.573 119.665 121.223 0.024 0.000 2.095 389 L HA -0.306 nan 4.340 nan 0.000 0.204 389 L C 1.609 178.505 176.870 0.043 0.000 1.080 389 L CA 2.706 57.568 54.840 0.037 0.000 0.759 389 L CB -0.415 41.662 42.059 0.031 0.000 0.914 389 L HN -0.022 8.071 8.230 0.025 0.152 0.439 390 D N -0.051 120.373 120.400 0.039 0.000 2.104 390 D HA -0.325 nan 4.640 nan 0.000 0.194 390 D C 2.345 178.662 176.300 0.029 0.000 0.994 390 D CA 3.855 57.872 54.000 0.029 0.000 0.830 390 D CB -0.068 40.744 40.800 0.019 0.000 0.959 390 D HN -0.406 7.920 8.370 0.041 0.069 0.452 391 E N -1.282 118.944 120.200 0.044 0.000 2.153 391 E HA -0.322 nan 4.350 nan 0.000 0.194 391 E C 2.340 178.995 176.600 0.091 0.000 0.988 391 E CA 2.537 58.984 56.400 0.078 0.000 0.811 391 E CB -0.285 29.482 29.700 0.111 0.000 0.746 391 E HN 0.156 8.540 8.360 0.040 0.000 0.466 392 A N -0.410 122.456 122.820 0.077 0.000 1.898 392 A HA -0.109 nan 4.320 nan 0.000 0.216 392 A C 2.067 179.712 177.584 0.100 0.000 1.181 392 A CA 3.020 55.112 52.037 0.091 0.000 0.620 392 A CB -0.662 18.392 19.000 0.089 0.000 0.819 392 A HN -0.405 7.652 8.150 0.061 0.129 0.442 393 V N -2.435 117.531 119.914 0.087 0.000 2.515 393 V HA -0.355 nan 4.120 nan 0.000 0.250 393 V C 1.232 177.410 176.094 0.139 0.000 1.058 393 V CA 2.773 65.136 62.300 0.105 0.000 1.064 393 V CB -1.051 30.807 31.823 0.058 0.000 0.675 393 V HN 0.092 8.324 8.190 0.069 0.000 0.461 394 A N 0.244 123.114 122.820 0.083 0.000 1.877 394 A HA -0.352 nan 4.320 nan 0.000 0.216 394 A C 2.178 179.853 177.584 0.152 0.000 1.186 394 A CA 3.442 55.531 52.037 0.087 0.000 0.620 394 A CB -0.775 18.270 19.000 0.074 0.000 0.822 394 A HN -0.076 8.025 8.150 0.065 0.088 0.443 395 E N -0.538 119.743 120.200 0.134 0.000 2.150 395 E HA -0.272 nan 4.350 nan 0.000 0.193 395 E C 2.301 178.959 176.600 0.096 0.000 0.985 395 E CA 2.296 58.767 56.400 0.119 0.000 0.814 395 E CB -0.086 29.679 29.700 0.109 0.000 0.752 395 E HN -0.232 8.201 8.360 0.121 0.000 0.466 396 A N -1.810 121.065 122.820 0.091 0.000 2.070 396 A HA -0.181 nan 4.320 nan 0.000 0.220 396 A C 1.289 178.765 177.584 -0.179 0.000 1.159 396 A CA 2.482 54.497 52.037 -0.038 0.000 0.656 396 A CB -0.457 18.498 19.000 -0.075 0.000 0.800 396 A HN -0.451 7.775 8.150 0.128 0.000 0.453 397 H N -5.735 113.300 119.070 -0.059 0.000 2.547 397 H HA 0.110 nan 4.556 nan 0.000 0.272 397 H C -0.283 175.096 175.328 0.086 0.000 0.971 397 H CA 0.750 56.769 56.048 -0.050 0.000 1.245 397 H CB 0.277 29.931 29.762 -0.181 0.000 1.440 397 H HN -0.628 7.650 8.280 0.260 0.158 0.540 398 L N -1.764 119.561 121.223 0.170 0.000 2.456 398 L HA -0.269 nan 4.340 nan 0.000 0.272 398 L C 1.471 178.391 176.870 0.084 0.000 1.189 398 L CA 1.480 56.398 54.840 0.130 0.000 0.846 398 L CB -0.290 41.828 42.059 0.099 0.000 1.111 398 L HN -0.906 7.299 8.230 0.155 0.118 0.475 399 G N 2.853 111.697 108.800 0.073 0.000 2.953 399 G HA2 -0.277 nan 3.960 nan 0.000 0.201 399 G HA3 -0.277 nan 3.960 nan 0.000 0.201 399 G C 0.957 175.888 174.900 0.052 0.000 1.501 399 G CA 0.318 45.445 45.100 0.044 0.000 1.094 399 G HN 0.090 8.428 8.290 0.080 0.000 0.555 400 K N 3.639 124.085 120.400 0.077 0.000 2.148 400 K HA -0.133 nan 4.320 nan 0.000 0.204 400 K C 1.055 177.715 176.600 0.100 0.000 1.050 400 K CA 2.048 58.394 56.287 0.098 0.000 0.942 400 K CB 0.115 32.715 32.500 0.167 0.000 0.724 400 K HN -0.418 7.835 8.250 0.078 0.044 0.446 401 L N -4.125 117.174 121.223 0.127 0.000 2.622 401 L HA -0.120 nan 4.340 nan 0.000 0.233 401 L C -0.609 176.283 176.870 0.037 0.000 1.156 401 L CA 0.498 55.381 54.840 0.072 0.000 0.866 401 L CB 0.092 42.216 42.059 0.108 0.000 0.980 401 L HN -0.536 7.836 8.230 0.170 -0.040 0.448 402 N N -3.784 114.940 118.700 0.038 0.000 2.780 402 N HA -0.318 nan 4.740 nan 0.000 0.248 402 N C -1.324 174.200 175.510 0.023 0.000 1.102 402 N CA 0.988 54.052 53.050 0.023 0.000 0.697 402 N CB -1.246 37.247 38.487 0.010 0.000 1.028 402 N HN -0.408 7.785 8.380 0.048 0.216 0.554 403 V N -0.641 119.294 119.914 0.036 0.000 2.472 403 V HA 0.152 nan 4.120 nan 0.000 0.290 403 V C -0.225 175.887 176.094 0.030 0.000 1.037 403 V CA -0.611 61.710 62.300 0.035 0.000 0.908 403 V CB 1.173 33.027 31.823 0.052 0.000 0.985 403 V HN -0.445 7.760 8.190 0.047 0.012 0.454 404 K N 6.970 127.383 120.400 0.020 0.000 2.419 404 K HA 0.108 nan 4.320 nan 0.000 0.244 404 K C -1.139 175.468 176.600 0.011 0.000 1.045 404 K CA -0.910 55.386 56.287 0.015 0.000 1.004 404 K CB 0.216 32.722 32.500 0.009 0.000 1.376 404 K HN 0.193 8.454 8.250 0.018 0.000 0.460 405 L N 5.652 126.885 121.223 0.016 0.000 2.410 405 L HA -0.009 nan 4.340 nan 0.000 0.273 405 L C 0.162 177.029 176.870 -0.005 0.000 1.152 405 L CA 0.396 55.240 54.840 0.007 0.000 0.855 405 L CB 0.930 43.002 42.059 0.023 0.000 1.129 405 L HN 0.040 8.284 8.230 0.024 0.000 0.463 406 T N 2.703 117.241 114.554 -0.027 0.000 2.909 406 T HA 0.112 nan 4.350 nan 0.000 0.286 406 T C -0.165 174.508 174.700 -0.045 0.000 1.002 406 T CA -0.821 61.260 62.100 -0.031 0.000 1.074 406 T CB 0.906 69.753 68.868 -0.035 0.000 0.984 406 T HN -0.089 8.127 8.240 -0.040 0.000 0.495 407 K N 2.329 122.716 120.400 -0.020 0.000 2.213 407 K HA 0.097 nan 4.320 nan 0.000 0.270 407 K C -0.576 176.018 176.600 -0.010 0.000 1.002 407 K CA -0.933 55.351 56.287 -0.005 0.000 0.868 407 K CB 1.069 33.583 32.500 0.025 0.000 1.093 407 K HN 0.179 8.422 8.250 -0.011 0.000 0.454 408 L N 3.116 124.332 121.223 -0.010 0.000 2.462 408 L HA 0.001 nan 4.340 nan 0.000 0.272 408 L C 0.685 177.574 176.870 0.033 0.000 1.166 408 L CA 0.081 54.923 54.840 0.003 0.000 0.880 408 L CB 0.599 42.674 42.059 0.026 0.000 1.142 408 L HN 0.190 8.414 8.230 -0.009 0.000 0.473 409 T N 3.787 118.354 114.554 0.022 0.000 2.766 409 T HA -0.018 nan 4.350 nan 0.000 0.295 409 T C 0.710 175.435 174.700 0.041 0.000 1.024 409 T CA -0.821 61.294 62.100 0.026 0.000 1.018 409 T CB 1.277 70.153 68.868 0.013 0.000 1.002 409 T HN 0.122 8.641 8.240 0.010 -0.272 0.532 410 E N 1.440 121.663 120.200 0.039 0.000 2.153 410 E HA -0.228 nan 4.350 nan 0.000 0.194 410 E C 2.354 178.985 176.600 0.051 0.000 0.988 410 E CA 3.420 59.847 56.400 0.045 0.000 0.811 410 E CB -0.615 29.107 29.700 0.036 0.000 0.746 410 E HN 0.296 8.675 8.360 0.031 0.000 0.466 411 K N -1.763 118.663 120.400 0.042 0.000 2.001 411 K HA -0.297 nan 4.320 nan 0.000 0.208 411 K C 2.358 179.006 176.600 0.079 0.000 1.048 411 K CA 3.273 59.589 56.287 0.049 0.000 0.932 411 K CB -0.467 32.045 32.500 0.022 0.000 0.715 411 K HN 0.007 8.259 8.250 0.031 0.017 0.437 412 Q N -1.221 118.614 119.800 0.059 0.000 2.084 412 Q HA -0.326 nan 4.340 nan 0.000 0.202 412 Q C 2.423 178.506 176.000 0.138 0.000 0.978 412 Q CA 2.906 58.762 55.803 0.089 0.000 0.844 412 Q CB -0.141 28.620 28.738 0.038 0.000 0.898 412 Q HN -0.481 7.810 8.270 0.035 0.000 0.426 413 A N -0.218 122.664 122.820 0.103 0.000 1.865 413 A HA -0.402 nan 4.320 nan 0.000 0.217 413 A C 2.222 179.869 177.584 0.104 0.000 1.191 413 A CA 3.305 55.408 52.037 0.110 0.000 0.623 413 A CB -0.990 18.069 19.000 0.098 0.000 0.826 413 A HN 0.488 8.574 8.150 0.082 0.113 0.444 414 Q N -2.262 117.597 119.800 0.098 0.000 2.124 414 Q HA -0.311 nan 4.340 nan 0.000 0.202 414 Q C 2.139 178.201 176.000 0.103 0.000 0.977 414 Q CA 2.593 58.446 55.803 0.084 0.000 0.850 414 Q CB 0.172 28.954 28.738 0.073 0.000 0.901 414 Q HN -0.297 8.028 8.270 0.092 0.000 0.429 415 Y N -0.277 120.034 120.300 0.018 0.000 2.200 415 Y HA -0.273 nan 4.550 nan 0.000 0.290 415 Y C 0.683 176.592 175.900 0.016 0.000 1.137 415 Y CA 2.719 60.828 58.100 0.014 0.000 1.163 415 Y CB 0.537 39.004 38.460 0.010 0.000 0.988 415 Y HN -0.190 8.049 8.280 0.243 0.187 0.518 416 L N -3.072 118.206 121.223 0.091 0.000 2.313 416 L HA -0.074 nan 4.340 nan 0.000 0.214 416 L C 0.698 177.554 176.870 -0.023 0.000 1.119 416 L CA 0.632 55.477 54.840 0.009 0.000 0.809 416 L CB 0.617 42.737 42.059 0.102 0.000 0.933 416 L HN -0.012 8.236 8.230 0.204 0.105 0.449 417 G N -0.724 108.076 108.800 0.001 0.000 2.324 417 G HA2 -0.352 nan 3.960 nan 0.000 0.292 417 G HA3 -0.352 nan 3.960 nan 0.000 0.292 417 G C -1.064 173.846 174.900 0.018 0.000 1.079 417 G CA 0.184 45.283 45.100 -0.003 0.000 1.026 417 G HN -0.146 8.012 8.290 0.029 0.150 0.506 418 M N -2.048 117.582 119.600 0.049 0.000 2.520 418 M HA 0.366 nan 4.480 nan 0.000 0.280 418 M C -3.265 173.079 176.300 0.073 0.000 1.232 418 M CA -2.229 53.106 55.300 0.057 0.000 0.892 418 M CB 1.555 34.222 32.600 0.112 0.000 1.728 418 M HN -0.534 7.795 8.290 0.064 0.000 0.475 419 P HA 0.185 nan 4.420 nan 0.000 0.271 419 P C -0.060 177.301 177.300 0.102 0.000 1.218 419 P CA -0.660 62.456 63.100 0.027 0.000 0.780 419 P CB 0.515 32.192 31.700 -0.037 0.000 0.901 420 I N 0.449 121.094 120.570 0.125 0.000 2.264 420 I HA -0.440 nan 4.170 nan 0.000 0.248 420 I C 1.300 177.601 176.117 0.306 0.000 1.111 420 I CA 3.475 64.901 61.300 0.211 0.000 1.382 420 I CB -0.158 37.919 38.000 0.130 0.000 1.060 420 I HN 0.458 8.719 8.210 0.085 0.000 0.418 421 N N -1.841 116.924 118.700 0.108 0.000 2.414 421 N HA 0.026 nan 4.740 nan 0.000 0.177 421 N C 0.512 175.850 175.510 -0.287 0.000 1.062 421 N CA 0.077 53.144 53.050 0.029 0.000 0.890 421 N CB -0.140 38.364 38.487 0.028 0.000 1.070 421 N HN -0.053 8.346 8.380 0.057 0.015 0.454 422 G N 1.631 110.265 108.800 -0.276 0.000 2.785 422 G HA2 -0.079 nan 3.960 nan 0.000 0.256 422 G HA3 -0.079 nan 3.960 nan 0.000 0.256 422 G C -2.187 172.305 174.900 -0.680 0.000 1.248 422 G CA -0.674 44.227 45.100 -0.332 0.000 0.914 422 G HN -0.470 7.646 8.290 -0.140 0.091 0.580 423 P HA -0.172 nan 4.420 nan 0.000 0.267 423 P C -1.545 175.453 177.300 -0.503 0.000 1.201 423 P CA 0.438 63.287 63.100 -0.419 0.000 0.775 423 P CB 0.232 31.833 31.700 -0.165 0.000 0.854 424 F N -0.893 119.050 119.950 -0.013 0.000 2.682 424 F HA 0.072 nan 4.527 nan 0.000 0.308 424 F C -0.208 175.504 175.800 -0.148 0.000 1.093 424 F CA 0.377 58.344 58.000 -0.055 0.000 1.244 424 F CB 1.143 40.122 39.000 -0.036 0.000 1.052 424 F HN 0.241 8.910 8.300 -0.082 -0.419 0.573 425 K N -1.614 118.771 120.400 -0.025 0.000 2.508 425 K HA 0.413 nan 4.320 nan 0.000 0.260 425 K C -2.560 173.954 176.600 -0.143 0.000 0.949 425 K CA -3.062 53.085 56.287 -0.234 0.000 0.834 425 K CB 1.950 34.141 32.500 -0.516 0.000 1.365 425 K HN -0.511 7.741 8.250 0.002 0.000 0.437 426 P HA 0.144 nan 4.420 nan 0.000 0.274 426 P C 0.065 177.273 177.300 -0.153 0.000 1.246 426 P CA -0.685 62.307 63.100 -0.180 0.000 0.795 426 P CB 0.835 32.337 31.700 -0.330 0.000 1.006 427 D N -0.195 120.174 120.400 -0.052 0.000 2.182 427 D HA -0.280 nan 4.640 nan 0.000 0.201 427 D C 1.641 177.944 176.300 0.005 0.000 0.986 427 D CA 2.805 56.806 54.000 0.003 0.000 0.847 427 D CB -0.487 40.339 40.800 0.044 0.000 0.942 427 D HN 0.504 8.867 8.370 -0.012 0.000 0.467 428 H N -4.289 114.806 119.070 0.042 0.000 2.556 428 H HA -0.060 nan 4.556 nan 0.000 0.268 428 H C -0.422 174.914 175.328 0.014 0.000 0.996 428 H CA -0.435 55.625 56.048 0.019 0.000 1.157 428 H CB -1.070 28.701 29.762 0.014 0.000 1.355 428 H HN -0.302 7.919 8.280 -0.060 0.023 0.597 429 Y N 2.729 122.815 120.300 -0.356 0.000 2.496 429 Y HA -0.216 nan 4.550 nan 0.000 0.334 429 Y C -0.938 174.814 175.900 -0.247 0.000 1.080 429 Y CA 0.801 58.679 58.100 -0.371 0.000 1.355 429 Y CB 0.128 38.252 38.460 -0.560 0.000 1.193 429 Y HN -0.520 7.488 8.280 -0.147 0.184 0.523 430 R N 7.053 127.187 120.500 -0.610 0.000 2.229 430 R HA 0.177 nan 4.340 nan 0.000 0.332 430 R C -1.000 174.951 176.300 -0.583 0.000 0.989 430 R CA -0.929 54.978 56.100 -0.322 0.000 0.842 430 R CB 0.814 30.997 30.300 -0.195 0.000 1.119 430 R HN 0.304 8.126 8.270 -0.747 0.000 0.456 431 Y N 0.000 120.148 120.300 -0.253 0.000 2.660 431 Y HA 0.000 nan 4.550 nan 0.000 0.201 431 Y CA 0.000 58.033 58.100 -0.111 0.000 1.940 431 Y CB 0.000 38.538 38.460 0.129 0.000 1.050 431 Y HN 0.000 8.546 8.280 0.444 0.000 0.758