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 3hwo_1_A DATA FIRST_RESID 13 DATA SEQUENCE MATLAPNRFF FMSPYRSFTT SGCFARFDEP AVNGDSPDSP FQQKLAALFA DATA SEQUENCE DAKAQGIKNP VMVGAIPFDP RQPSSLYIPE SWQSFSRQEK QASARRFTRS DATA SEQUENCE QSLNVVERQA IPEQTTFEQM VARAAALTAT PQVDKVVLSR LIDITTDAAI DATA SEQUENCE DSGVLLERLI AQNPVSYNFH VPLADGGVLL GASPELLLRK DGERFSSIPL DATA SEQUENCE AGSARRQPDE VLDREAGNRL LASEKDRHEH ELVTQAMKEV LRERSSELHV DATA SEQUENCE PSSPQLITTP TLWHLATPFE GKANSQENAL TLACLLHPTP ALSGFPHQAA DATA SEQUENCE TQVIAELEPF DRELFGGIVG WCDSEGNGEW VVTIRCAKLR ENQVRLFAGA DATA SEQUENCE GIVPASSPLG EWRETGVKLS TMLNVFGLH 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 13 M HA 0.000 nan 4.480 nan 0.000 0.227 13 M C 0.000 176.409 176.300 0.181 0.000 1.140 13 M CA 0.000 55.360 55.300 0.100 0.000 0.988 13 M CB 0.000 32.591 32.600 -0.015 0.000 1.302 14 A N 1.026 123.907 122.820 0.102 0.000 2.354 14 A HA 0.774 5.093 4.320 -0.001 0.000 0.269 14 A C 0.435 178.023 177.584 0.007 0.000 1.109 14 A CA 0.052 52.123 52.037 0.056 0.000 0.800 14 A CB 0.374 19.383 19.000 0.015 0.000 1.045 14 A HN 0.562 nan 8.150 nan 0.000 0.489 15 T N 0.282 114.816 114.554 -0.034 0.000 2.950 15 T HA 0.571 4.921 4.350 -0.001 0.000 0.288 15 T C -0.122 174.479 174.700 -0.164 0.000 1.035 15 T CA -0.762 61.237 62.100 -0.168 0.000 1.028 15 T CB 0.872 69.621 68.868 -0.198 0.000 1.109 15 T HN 0.619 nan 8.240 nan 0.000 0.514 16 L N 2.082 123.148 121.223 -0.261 0.000 2.453 16 L HA 0.553 4.892 4.340 -0.001 0.000 0.272 16 L C 0.580 177.348 176.870 -0.170 0.000 1.182 16 L CA 0.130 54.818 54.840 -0.253 0.000 0.858 16 L CB -0.068 41.715 42.059 -0.460 0.000 1.120 16 L HN 1.008 nan 8.230 nan 0.000 0.474 17 A N 6.942 129.714 122.820 -0.080 0.000 2.371 17 A HA 0.488 4.808 4.320 -0.001 0.000 0.257 17 A C -1.637 175.987 177.584 0.067 0.000 1.089 17 A CA -1.011 51.026 52.037 -0.001 0.000 0.794 17 A CB -0.138 18.879 19.000 0.028 0.000 1.029 17 A HN 0.758 nan 8.150 nan 0.000 0.488 18 P HA -0.107 nan 4.420 nan 0.000 0.230 18 P C 0.292 177.722 177.300 0.218 0.000 1.158 18 P CA 1.007 64.237 63.100 0.217 0.000 0.769 18 P CB -0.033 31.735 31.700 0.112 0.000 0.807 19 N N -0.464 118.334 118.700 0.164 0.000 2.251 19 N HA 0.027 4.766 4.740 -0.001 0.000 0.217 19 N C 0.201 175.841 175.510 0.218 0.000 1.124 19 N CA -0.194 52.944 53.050 0.147 0.000 0.843 19 N CB -0.103 38.431 38.487 0.078 0.000 1.024 19 N HN 0.049 nan 8.380 nan 0.000 0.501 20 R N 0.245 120.911 120.500 0.277 0.000 2.589 20 R HA 0.318 4.658 4.340 -0.001 0.000 0.293 20 R C -0.983 175.601 176.300 0.473 0.000 0.963 20 R CA -0.862 55.437 56.100 0.332 0.000 0.905 20 R CB 1.408 31.828 30.300 0.200 0.000 1.144 20 R HN 0.106 nan 8.270 nan 0.000 0.459 21 F N 2.887 123.062 119.950 0.375 0.000 2.389 21 F HA 0.389 4.916 4.527 -0.001 0.000 0.337 21 F C -0.783 175.193 175.800 0.292 0.000 1.112 21 F CA -0.289 57.922 58.000 0.352 0.000 1.192 21 F CB 0.583 39.718 39.000 0.224 0.000 1.185 21 F HN 0.443 nan 8.300 nan 0.000 0.552 22 F N 7.041 126.631 119.950 -0.600 0.000 2.581 22 F HA 0.588 5.114 4.527 -0.001 0.000 0.311 22 F C -2.429 173.028 175.800 -0.571 0.000 1.113 22 F CA -1.437 56.315 58.000 -0.413 0.000 0.935 22 F CB 1.367 40.208 39.000 -0.266 0.000 1.232 22 F HN 0.381 nan 8.300 nan 0.000 0.445 23 F N 7.625 126.950 119.950 -1.041 0.000 2.653 23 F HA 0.538 5.065 4.527 -0.001 0.000 0.327 23 F C -1.518 173.924 175.800 -0.597 0.000 1.195 23 F CA -0.691 56.912 58.000 -0.662 0.000 0.993 23 F CB 1.768 40.436 39.000 -0.553 0.000 1.259 23 F HN 0.592 nan 8.300 nan 0.000 0.478 24 M N 5.925 125.176 119.600 -0.583 0.000 2.181 24 M HA 0.629 5.109 4.480 -0.001 0.000 0.323 24 M C -1.344 174.762 176.300 -0.324 0.000 1.004 24 M CA -0.039 55.064 55.300 -0.329 0.000 0.941 24 M CB 1.231 33.849 32.600 0.031 0.000 1.579 24 M HN 0.561 nan 8.290 nan 0.000 0.427 25 S N 4.283 119.855 115.700 -0.213 0.000 2.550 25 S HA 0.654 5.124 4.470 -0.001 0.000 0.270 25 S C -2.551 172.030 174.600 -0.032 0.000 1.145 25 S CA -1.055 57.100 58.200 -0.075 0.000 0.852 25 S CB 1.808 65.168 63.200 0.267 0.000 1.119 25 S HN 0.595 nan 8.310 nan 0.000 0.465 26 P HA 0.059 nan 4.420 nan 0.000 0.236 26 P C 0.644 178.054 177.300 0.183 0.000 1.177 26 P CA 0.420 63.544 63.100 0.040 0.000 0.773 26 P CB -0.051 31.657 31.700 0.014 0.000 0.878 27 Y N 1.822 122.197 120.300 0.125 0.000 2.460 27 Y HA 0.199 4.748 4.550 -0.001 0.000 0.249 27 Y C 0.647 176.630 175.900 0.138 0.000 1.024 27 Y CA 0.359 58.560 58.100 0.168 0.000 1.044 27 Y CB -0.234 38.389 38.460 0.272 0.000 1.034 27 Y HN -0.312 nan 8.280 nan 0.000 0.470 28 R N 0.742 121.187 120.500 -0.092 0.000 2.480 28 R HA 0.473 4.813 4.340 -0.001 0.000 0.306 28 R C -1.166 175.103 176.300 -0.051 0.000 0.958 28 R CA -0.513 55.444 56.100 -0.238 0.000 0.861 28 R CB 1.716 31.679 30.300 -0.561 0.000 1.171 28 R HN 0.184 nan 8.270 nan 0.000 0.445 29 S N 4.006 119.549 115.700 -0.262 0.000 2.474 29 S HA 0.602 5.072 4.470 -0.001 0.000 0.321 29 S C -0.819 173.442 174.600 -0.564 0.000 1.080 29 S CA -0.681 57.164 58.200 -0.591 0.000 1.106 29 S CB 0.390 62.888 63.200 -1.169 0.000 0.984 29 S HN 0.479 nan 8.310 nan 0.000 0.464 30 F N -0.479 119.196 119.950 -0.458 0.000 2.662 30 F HA 0.836 5.362 4.527 -0.001 0.000 0.312 30 F C -0.223 175.681 175.800 0.172 0.000 1.113 30 F CA -1.119 56.824 58.000 -0.094 0.000 0.951 30 F CB 0.661 39.555 39.000 -0.178 0.000 1.344 30 F HN 0.418 nan 8.300 nan 0.000 0.462 31 T N -1.252 113.539 114.554 0.395 0.000 2.950 31 T HA 0.794 5.144 4.350 -0.001 0.000 0.288 31 T C -0.315 174.674 174.700 0.482 0.000 1.035 31 T CA -0.137 62.157 62.100 0.323 0.000 1.028 31 T CB 1.651 70.681 68.868 0.271 0.000 1.109 31 T HN 1.154 nan 8.240 nan 0.000 0.514 32 T N -1.537 113.290 114.554 0.454 0.000 2.930 32 T HA 0.734 5.083 4.350 -0.001 0.000 0.290 32 T C -0.668 174.233 174.700 0.335 0.000 1.052 32 T CA -0.800 61.567 62.100 0.445 0.000 1.017 32 T CB 1.699 70.838 68.868 0.452 0.000 1.137 32 T HN 0.627 nan 8.240 nan 0.000 0.511 33 S N 0.255 116.127 115.700 0.287 0.000 2.557 33 S HA 0.785 5.255 4.470 -0.001 0.000 0.291 33 S C 0.410 175.144 174.600 0.223 0.000 1.116 33 S CA 0.194 58.523 58.200 0.216 0.000 0.992 33 S CB 0.907 64.195 63.200 0.146 0.000 1.028 33 S HN 1.711 nan 8.310 nan 0.000 0.484 34 G N 1.206 110.127 108.800 0.201 0.000 2.752 34 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.234 34 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.234 34 G C -0.278 174.769 174.900 0.246 0.000 1.367 34 G CA -0.145 45.061 45.100 0.177 0.000 0.879 34 G HN 1.385 nan 8.290 nan 0.000 0.563 35 C N -0.226 119.193 119.300 0.199 0.000 2.716 35 C HA 0.653 5.113 4.460 -0.001 0.000 0.366 35 C C 1.131 176.257 174.990 0.226 0.000 1.073 35 C CA -0.064 59.091 59.018 0.228 0.000 1.260 35 C CB 0.360 28.104 27.740 0.007 0.000 1.755 35 C HN 1.052 nan 8.230 nan 0.000 0.475 36 F N 4.664 124.702 119.950 0.147 0.000 2.208 36 F HA 0.642 5.171 4.527 0.003 0.000 0.282 36 F C 0.852 176.694 175.800 0.070 0.000 1.071 36 F CA 1.224 59.276 58.000 0.087 0.000 1.228 36 F CB 0.144 39.188 39.000 0.074 0.000 1.088 36 F HN 0.749 nan 8.300 nan 0.000 0.512 37 A N 1.025 123.904 122.820 0.099 0.000 2.427 37 A HA 0.549 4.868 4.320 -0.001 0.000 0.298 37 A C -0.858 176.810 177.584 0.139 0.000 1.036 37 A CA -0.804 51.206 52.037 -0.045 0.000 0.701 37 A CB 1.101 20.053 19.000 -0.080 0.000 1.250 37 A HN 0.207 nan 8.150 nan 0.000 0.412 38 R N 0.542 121.100 120.500 0.097 0.000 2.531 38 R HA 0.490 4.830 4.340 -0.001 0.000 0.273 38 R C -1.726 174.723 176.300 0.249 0.000 1.070 38 R CA -0.121 56.080 56.100 0.168 0.000 1.112 38 R CB 0.912 31.255 30.300 0.071 0.000 1.049 38 R HN 0.644 nan 8.270 nan 0.000 0.508 39 F N 1.917 121.906 119.950 0.065 0.000 3.034 39 F HA 0.231 4.757 4.527 -0.002 0.000 0.371 39 F C -0.453 175.384 175.800 0.062 0.000 1.233 39 F CA -0.910 57.108 58.000 0.030 0.000 1.134 39 F CB 0.927 39.918 39.000 -0.015 0.000 1.495 39 F HN 0.467 nan 8.300 nan 0.000 0.563 40 D N 1.625 121.901 120.400 -0.208 0.000 2.367 40 D HA -0.004 4.635 4.640 -0.001 0.000 0.207 40 D C 0.346 176.457 176.300 -0.315 0.000 1.034 40 D CA 0.467 54.355 54.000 -0.186 0.000 0.861 40 D CB 0.131 40.881 40.800 -0.083 0.000 0.943 40 D HN 0.494 nan 8.370 nan 0.000 0.515 41 E N 2.066 121.909 120.200 -0.595 0.000 2.694 41 E HA -0.002 4.348 4.350 -0.001 0.000 0.250 41 E C -2.365 174.095 176.600 -0.234 0.000 0.963 41 E CA -1.295 54.851 56.400 -0.422 0.000 0.949 41 E CB 0.467 29.856 29.700 -0.520 0.000 0.911 41 E HN -0.056 nan 8.360 nan 0.000 0.500 42 P HA -0.052 nan 4.420 nan 0.000 0.266 42 P C -0.613 176.559 177.300 -0.214 0.000 1.193 42 P CA 0.529 63.547 63.100 -0.136 0.000 0.770 42 P CB 0.849 32.486 31.700 -0.104 0.000 0.836 43 A N 2.981 125.505 122.820 -0.492 0.000 2.308 43 A HA 0.086 4.406 4.320 -0.001 0.000 0.217 43 A C 0.790 177.960 177.584 -0.689 0.000 1.216 43 A CA 0.072 51.421 52.037 -1.146 0.000 0.864 43 A CB -0.426 17.878 19.000 -1.161 0.000 0.902 43 A HN 0.466 nan 8.150 nan 0.000 0.499 44 V N 1.582 121.279 119.914 -0.361 0.000 2.814 44 V HA -0.063 4.056 4.120 -0.001 0.000 0.307 44 V C 0.453 176.437 176.094 -0.183 0.000 1.089 44 V CA 1.208 63.369 62.300 -0.232 0.000 1.212 44 V CB -0.791 30.946 31.823 -0.144 0.000 0.912 44 V HN 0.931 nan 8.190 nan 0.000 0.497 45 N N 2.958 121.568 118.700 -0.149 0.000 2.721 45 N HA -0.190 4.549 4.740 -0.001 0.000 0.249 45 N C 0.969 176.426 175.510 -0.087 0.000 1.072 45 N CA 0.671 53.663 53.050 -0.097 0.000 0.710 45 N CB -1.202 37.256 38.487 -0.048 0.000 0.993 45 N HN 0.909 nan 8.380 nan 0.000 0.547 46 G N 0.729 109.417 108.800 -0.187 0.000 2.572 46 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.216 46 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.216 46 G C 0.484 175.361 174.900 -0.038 0.000 1.133 46 G CA 0.625 45.647 45.100 -0.131 0.000 0.791 46 G HN 0.680 nan 8.290 nan 0.000 0.538 47 D N 0.196 120.539 120.400 -0.096 0.000 2.688 47 D HA 0.220 4.859 4.640 -0.001 0.000 0.228 47 D C -0.164 176.108 176.300 -0.046 0.000 1.116 47 D CA 0.088 54.039 54.000 -0.082 0.000 1.023 47 D CB 0.096 40.831 40.800 -0.110 0.000 1.100 47 D HN 0.036 nan 8.370 nan 0.000 0.487 48 S N 1.771 117.464 115.700 -0.012 0.000 2.585 48 S HA 0.068 4.538 4.470 -0.001 0.000 0.335 48 S C -2.610 172.006 174.600 0.028 0.000 0.747 48 S CA -0.736 57.464 58.200 0.000 0.000 0.747 48 S CB 1.348 64.545 63.200 -0.006 0.000 1.052 48 S HN 0.030 nan 8.310 nan 0.000 0.522 49 P HA 0.072 nan 4.420 nan 0.000 0.230 49 P C 0.480 177.799 177.300 0.031 0.000 1.158 49 P CA 0.755 63.873 63.100 0.029 0.000 0.769 49 P CB 0.007 31.714 31.700 0.013 0.000 0.807 50 D N -0.112 120.304 120.400 0.026 0.000 2.355 50 D HA -0.026 4.613 4.640 -0.001 0.000 0.218 50 D C 0.915 177.238 176.300 0.038 0.000 1.004 50 D CA 0.478 54.493 54.000 0.025 0.000 0.880 50 D CB -0.127 40.683 40.800 0.016 0.000 0.911 50 D HN 0.267 nan 8.370 nan 0.000 0.528 51 S N 1.419 117.153 115.700 0.056 0.000 2.562 51 S HA 0.092 4.561 4.470 -0.001 0.000 0.281 51 S C -1.488 173.175 174.600 0.104 0.000 1.333 51 S CA -1.034 57.214 58.200 0.081 0.000 1.052 51 S CB 1.876 65.141 63.200 0.109 0.000 0.884 51 S HN -0.146 nan 8.310 nan 0.000 0.506 52 P HA -0.167 nan 4.420 nan 0.000 0.217 52 P C 1.192 178.591 177.300 0.165 0.000 1.148 52 P CA 1.024 64.186 63.100 0.104 0.000 0.828 52 P CB -0.116 31.634 31.700 0.084 0.000 0.783 53 F N 1.499 121.484 119.950 0.057 0.000 2.046 53 F HA -0.200 4.326 4.527 -0.001 0.000 0.297 53 F C 2.348 178.257 175.800 0.182 0.000 1.123 53 F CA 1.790 59.860 58.000 0.116 0.000 1.199 53 F CB -0.855 38.162 39.000 0.029 0.000 0.972 53 F HN -0.187 nan 8.300 nan 0.000 0.474 54 Q N 0.226 120.090 119.800 0.107 0.000 2.119 54 Q HA -0.215 4.125 4.340 -0.001 0.000 0.201 54 Q C 2.220 178.196 176.000 -0.039 0.000 0.972 54 Q CA 1.744 57.537 55.803 -0.016 0.000 0.847 54 Q CB -0.647 28.137 28.738 0.078 0.000 0.903 54 Q HN 0.628 nan 8.270 nan 0.000 0.433 55 Q N 0.675 120.482 119.800 0.012 0.000 2.050 55 Q HA -0.130 4.210 4.340 -0.001 0.000 0.202 55 Q C 2.051 178.040 176.000 -0.018 0.000 0.980 55 Q CA 1.314 57.121 55.803 0.007 0.000 0.840 55 Q CB 0.005 28.760 28.738 0.029 0.000 0.898 55 Q HN 0.262 nan 8.270 nan 0.000 0.424 56 K N 0.146 120.549 120.400 0.005 0.000 2.097 56 K HA -0.139 4.180 4.320 -0.001 0.000 0.205 56 K C 2.003 178.464 176.600 -0.231 0.000 1.050 56 K CA 0.741 57.033 56.287 0.009 0.000 0.938 56 K CB -0.149 32.481 32.500 0.216 0.000 0.718 56 K HN 0.066 nan 8.250 nan 0.000 0.442 57 L N 1.289 122.284 121.223 -0.380 0.000 1.989 57 L HA -0.176 4.164 4.340 -0.001 0.000 0.211 57 L C 2.189 178.878 176.870 -0.302 0.000 1.071 57 L CA 2.039 56.474 54.840 -0.676 0.000 0.749 57 L CB -0.859 40.853 42.059 -0.578 0.000 0.890 57 L HN 0.134 nan 8.230 nan 0.000 0.431 58 A N -0.290 122.475 122.820 -0.091 0.000 1.865 58 A HA -0.152 4.168 4.320 -0.001 0.000 0.217 58 A C 2.488 180.081 177.584 0.016 0.000 1.191 58 A CA 2.436 54.494 52.037 0.035 0.000 0.623 58 A CB -1.467 17.542 19.000 0.015 0.000 0.826 58 A HN 0.653 nan 8.150 nan 0.000 0.444 59 A N -0.592 122.209 122.820 -0.032 0.000 1.881 59 A HA -0.210 4.110 4.320 -0.001 0.000 0.219 59 A C 2.110 179.675 177.584 -0.033 0.000 1.215 59 A CA 2.118 54.142 52.037 -0.022 0.000 0.648 59 A CB -0.929 18.058 19.000 -0.021 0.000 0.832 59 A HN 0.610 nan 8.150 nan 0.000 0.455 60 L N -2.016 119.127 121.223 -0.134 0.000 2.127 60 L HA -0.127 4.213 4.340 -0.001 0.000 0.211 60 L C 2.227 179.020 176.870 -0.129 0.000 1.089 60 L CA 1.655 56.393 54.840 -0.170 0.000 0.757 60 L CB -0.830 40.974 42.059 -0.424 0.000 0.899 60 L HN 0.404 nan 8.230 nan 0.000 0.434 61 F N -0.904 118.967 119.950 -0.131 0.000 2.163 61 F HA -0.080 4.448 4.527 0.001 0.000 0.297 61 F C 2.420 178.169 175.800 -0.085 0.000 1.094 61 F CA 1.011 58.943 58.000 -0.113 0.000 1.290 61 F CB -1.063 37.864 39.000 -0.121 0.000 1.017 61 F HN 0.115 nan 8.300 nan 0.000 0.483 62 A N -0.571 122.328 122.820 0.133 0.000 1.898 62 A HA -0.197 4.122 4.320 -0.001 0.000 0.216 62 A C 2.080 179.692 177.584 0.047 0.000 1.181 62 A CA 1.778 53.852 52.037 0.061 0.000 0.620 62 A CB -0.943 18.080 19.000 0.039 0.000 0.819 62 A HN 0.324 nan 8.150 nan 0.000 0.442 63 D N 0.358 120.795 120.400 0.061 0.000 2.133 63 D HA -0.141 4.498 4.640 -0.001 0.000 0.195 63 D C 2.025 178.383 176.300 0.096 0.000 0.997 63 D CA 1.810 55.870 54.000 0.099 0.000 0.840 63 D CB -0.243 40.636 40.800 0.132 0.000 0.947 63 D HN 0.337 nan 8.370 nan 0.000 0.452 64 A N 0.358 123.175 122.820 -0.005 0.000 1.929 64 A HA -0.133 4.186 4.320 -0.001 0.000 0.216 64 A C 2.142 179.560 177.584 -0.276 0.000 1.176 64 A CA 1.489 53.295 52.037 -0.384 0.000 0.628 64 A CB -0.286 18.456 19.000 -0.431 0.000 0.816 64 A HN 0.304 nan 8.150 nan 0.000 0.444 65 K N 0.050 120.392 120.400 -0.097 0.000 2.062 65 K HA 0.119 4.439 4.320 -0.001 0.000 0.205 65 K C 2.218 178.786 176.600 -0.053 0.000 1.051 65 K CA 0.965 57.211 56.287 -0.070 0.000 0.941 65 K CB -0.340 32.142 32.500 -0.031 0.000 0.719 65 K HN 0.342 nan 8.250 nan 0.000 0.440 66 A N 1.967 124.773 122.820 -0.023 0.000 1.978 66 A HA -0.188 4.132 4.320 -0.001 0.000 0.220 66 A C 1.968 179.554 177.584 0.004 0.000 1.170 66 A CA 1.304 53.341 52.037 -0.001 0.000 0.636 66 A CB -0.331 18.682 19.000 0.022 0.000 0.810 66 A HN 0.254 nan 8.150 nan 0.000 0.448 67 Q N -1.704 118.093 119.800 -0.004 0.000 2.482 67 Q HA 0.138 4.478 4.340 -0.001 0.000 0.209 67 Q C 1.247 177.234 176.000 -0.020 0.000 0.961 67 Q CA 0.852 56.673 55.803 0.030 0.000 0.945 67 Q CB 0.270 29.086 28.738 0.130 0.000 1.012 67 Q HN 0.959 nan 8.270 nan 0.000 0.515 68 G N 0.980 109.742 108.800 -0.063 0.000 2.211 68 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.201 68 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.201 68 G C 0.201 175.047 174.900 -0.089 0.000 0.997 68 G CA -0.418 44.648 45.100 -0.058 0.000 0.652 68 G HN 0.281 nan 8.290 nan 0.000 0.500 69 I N 2.136 122.616 120.570 -0.149 0.000 2.379 69 I HA 0.253 4.423 4.170 -0.001 0.000 0.290 69 I C 0.537 176.592 176.117 -0.104 0.000 1.063 69 I CA -0.115 61.095 61.300 -0.150 0.000 1.351 69 I CB 0.781 38.638 38.000 -0.238 0.000 1.410 69 I HN -0.058 nan 8.210 nan 0.000 0.505 70 K N 5.969 126.314 120.400 -0.091 0.000 2.312 70 K HA 0.244 4.564 4.320 -0.001 0.000 0.287 70 K C -0.200 176.378 176.600 -0.037 0.000 1.062 70 K CA -0.299 55.946 56.287 -0.070 0.000 0.934 70 K CB 0.319 32.767 32.500 -0.085 0.000 1.027 70 K HN 0.594 nan 8.250 nan 0.000 0.478 71 N N 1.500 120.206 118.700 0.010 0.000 2.753 71 N HA -0.116 4.624 4.740 -0.001 0.000 0.252 71 N C -2.715 172.918 175.510 0.205 0.000 1.071 71 N CA -0.187 52.926 53.050 0.106 0.000 0.690 71 N CB -0.908 37.705 38.487 0.211 0.000 0.906 71 N HN 0.458 nan 8.380 nan 0.000 0.552 72 P HA 0.090 nan 4.420 nan 0.000 0.268 72 P C -0.044 177.420 177.300 0.273 0.000 1.205 72 P CA 0.033 63.262 63.100 0.215 0.000 0.771 72 P CB 0.952 32.824 31.700 0.286 0.000 0.858 73 V N 0.396 120.435 119.914 0.209 0.000 2.815 73 V HA 0.692 4.812 4.120 -0.001 0.000 0.314 73 V C -0.198 175.967 176.094 0.117 0.000 1.064 73 V CA -1.288 61.081 62.300 0.115 0.000 0.952 73 V CB 1.853 33.493 31.823 -0.305 0.000 1.020 73 V HN 0.404 nan 8.190 nan 0.000 0.439 74 M N 5.201 124.903 119.600 0.170 0.000 2.072 74 M HA 0.682 5.162 4.480 -0.001 0.000 0.331 74 M C -0.642 175.614 176.300 -0.073 0.000 1.004 74 M CA -0.484 54.798 55.300 -0.030 0.000 0.952 74 M CB 0.855 33.434 32.600 -0.035 0.000 1.511 74 M HN 1.015 nan 8.290 nan 0.000 0.422 75 V N 3.061 122.752 119.914 -0.372 0.000 3.096 75 V HA 1.147 5.267 4.120 -0.001 0.000 0.319 75 V C 0.196 176.059 176.094 -0.384 0.000 1.103 75 V CA 0.244 62.123 62.300 -0.701 0.000 1.016 75 V CB 1.045 31.872 31.823 -1.659 0.000 1.090 75 V HN 1.249 nan 8.190 nan 0.000 0.449 76 G N 0.364 109.060 108.800 -0.173 0.000 2.280 76 G HA2 0.559 4.519 3.960 -0.001 0.000 0.277 76 G HA3 0.559 4.519 3.960 -0.001 0.000 0.277 76 G C -0.560 174.531 174.900 0.317 0.000 1.288 76 G CA -0.033 45.203 45.100 0.226 0.000 1.075 76 G HN 2.207 nan 8.290 nan 0.000 0.480 77 A N -0.859 122.126 122.820 0.274 0.000 2.413 77 A HA 0.895 5.215 4.320 -0.001 0.000 0.307 77 A C -0.581 177.084 177.584 0.135 0.000 1.087 77 A CA -0.600 51.560 52.037 0.206 0.000 0.750 77 A CB 1.266 20.332 19.000 0.110 0.000 1.296 77 A HN 1.188 nan 8.150 nan 0.000 0.423 78 I N 2.437 123.042 120.570 0.057 0.000 2.465 78 I HA 0.383 4.552 4.170 -0.001 0.000 0.291 78 I C -2.192 173.906 176.117 -0.031 0.000 1.014 78 I CA -2.307 58.971 61.300 -0.037 0.000 1.093 78 I CB 2.603 40.504 38.000 -0.166 0.000 1.267 78 I HN 0.486 nan 8.210 nan 0.000 0.431 79 P HA -0.007 nan 4.420 nan 0.000 0.272 79 P C 0.681 178.032 177.300 0.085 0.000 1.240 79 P CA -0.174 62.939 63.100 0.022 0.000 0.791 79 P CB 0.900 32.603 31.700 0.006 0.000 0.978 80 F N 0.863 120.825 119.950 0.020 0.000 2.091 80 F HA -0.186 4.340 4.527 -0.001 0.000 0.299 80 F C 0.837 176.665 175.800 0.047 0.000 1.103 80 F CA 1.771 59.816 58.000 0.075 0.000 1.228 80 F CB -0.300 38.744 39.000 0.073 0.000 0.984 80 F HN 0.189 nan 8.300 nan 0.000 0.477 81 D N 1.047 121.427 120.400 -0.035 0.000 2.412 81 D HA 0.177 4.816 4.640 -0.001 0.000 0.224 81 D C -1.973 174.259 176.300 -0.113 0.000 1.093 81 D CA -2.718 51.203 54.000 -0.132 0.000 0.850 81 D CB 1.287 42.095 40.800 0.013 0.000 1.046 81 D HN 0.051 nan 8.370 nan 0.000 0.507 82 P HA -0.009 nan 4.420 nan 0.000 0.237 82 P C 1.011 178.211 177.300 -0.166 0.000 1.178 82 P CA 0.315 63.300 63.100 -0.193 0.000 0.766 82 P CB 0.470 32.021 31.700 -0.248 0.000 0.876 83 R N -0.241 120.188 120.500 -0.117 0.000 2.092 83 R HA -0.020 4.319 4.340 -0.001 0.000 0.231 83 R C 1.379 177.633 176.300 -0.076 0.000 1.119 83 R CA 0.668 56.714 56.100 -0.089 0.000 0.970 83 R CB -0.472 29.790 30.300 -0.063 0.000 0.864 83 R HN 0.413 nan 8.270 nan 0.000 0.440 84 Q N 1.093 120.855 119.800 -0.062 0.000 2.474 84 Q HA 0.070 4.410 4.340 -0.001 0.000 0.256 84 Q C -2.256 173.704 176.000 -0.067 0.000 1.048 84 Q CA -1.593 54.182 55.803 -0.047 0.000 0.922 84 Q CB 0.042 28.768 28.738 -0.020 0.000 1.288 84 Q HN -0.012 nan 8.270 nan 0.000 0.484 85 P HA 0.027 nan 4.420 nan 0.000 0.272 85 P C -1.028 176.233 177.300 -0.065 0.000 1.223 85 P CA 0.086 63.145 63.100 -0.069 0.000 0.784 85 P CB 0.806 32.476 31.700 -0.050 0.000 0.923 86 S N 0.235 115.886 115.700 -0.081 0.000 2.651 86 S HA 0.361 4.831 4.470 -0.001 0.000 0.291 86 S C 0.267 174.877 174.600 0.017 0.000 1.141 86 S CA -0.447 57.729 58.200 -0.040 0.000 1.027 86 S CB 0.792 63.966 63.200 -0.043 0.000 1.043 86 S HN 0.238 nan 8.310 nan 0.000 0.530 87 S N 1.726 117.474 115.700 0.080 0.000 2.449 87 S HA 0.358 4.828 4.470 -0.001 0.000 0.237 87 S C -0.237 174.507 174.600 0.239 0.000 1.214 87 S CA -0.363 57.919 58.200 0.137 0.000 1.226 87 S CB -0.560 62.712 63.200 0.120 0.000 0.904 87 S HN 0.407 nan 8.310 nan 0.000 0.490 88 L N 1.792 123.168 121.223 0.256 0.000 2.358 88 L HA 0.772 5.112 4.340 -0.001 0.000 0.268 88 L C -0.470 176.639 176.870 0.397 0.000 1.032 88 L CA -1.230 53.799 54.840 0.315 0.000 0.805 88 L CB 1.140 43.433 42.059 0.390 0.000 1.253 88 L HN 0.482 nan 8.230 nan 0.000 0.452 89 Y N -0.829 119.556 120.300 0.141 0.000 2.638 89 Y HA 0.527 5.077 4.550 0.001 0.000 0.334 89 Y C -1.620 174.309 175.900 0.049 0.000 1.182 89 Y CA -1.248 56.914 58.100 0.103 0.000 1.102 89 Y CB 0.582 39.107 38.460 0.110 0.000 1.343 89 Y HN 0.317 nan 8.280 nan 0.000 0.463 90 I N 5.574 126.230 120.570 0.143 0.000 2.325 90 I HA 0.359 4.528 4.170 -0.001 0.000 0.291 90 I C -2.163 174.127 176.117 0.288 0.000 1.019 90 I CA -1.971 59.376 61.300 0.078 0.000 1.302 90 I CB 1.417 39.468 38.000 0.084 0.000 1.401 90 I HN 0.409 nan 8.210 nan 0.000 0.485 91 P HA 0.128 nan 4.420 nan 0.000 0.276 91 P C 0.194 177.659 177.300 0.275 0.000 1.261 91 P CA -0.287 63.022 63.100 0.347 0.000 0.800 91 P CB 1.194 33.067 31.700 0.288 0.000 1.066 92 E N -0.158 120.198 120.200 0.261 0.000 2.077 92 E HA -0.056 4.293 4.350 -0.001 0.000 0.193 92 E C 0.937 177.597 176.600 0.100 0.000 0.989 92 E CA 1.466 57.974 56.400 0.179 0.000 0.800 92 E CB -0.147 29.647 29.700 0.157 0.000 0.746 92 E HN 0.638 nan 8.360 nan 0.000 0.452 93 S N -1.683 114.089 115.700 0.120 0.000 2.752 93 S HA 0.630 5.099 4.470 -0.001 0.000 0.284 93 S C -1.116 173.591 174.600 0.178 0.000 1.189 93 S CA -1.064 57.152 58.200 0.027 0.000 0.835 93 S CB 1.751 64.907 63.200 -0.073 0.000 1.192 93 S HN 0.315 nan 8.310 nan 0.000 0.506 94 W N -0.748 120.567 121.300 0.025 0.000 3.042 94 W HA 0.770 5.429 4.660 -0.002 0.000 0.342 94 W C -2.273 174.272 176.519 0.044 0.000 1.240 94 W CA -0.971 56.415 57.345 0.069 0.000 1.166 94 W CB 1.064 30.518 29.460 -0.011 0.000 1.469 94 W HN 0.685 nan 8.180 nan 0.000 0.579 95 Q N 1.313 121.406 119.800 0.488 0.000 2.334 95 Q HA 0.295 4.635 4.340 -0.001 0.000 0.249 95 Q C -0.610 175.639 176.000 0.415 0.000 0.909 95 Q CA -0.407 55.573 55.803 0.295 0.000 0.823 95 Q CB 2.202 31.052 28.738 0.186 0.000 1.353 95 Q HN 0.343 nan 8.270 nan 0.000 0.433 96 S N 2.551 118.468 115.700 0.362 0.000 2.573 96 S HA 0.582 5.051 4.470 -0.001 0.000 0.277 96 S C -0.303 174.432 174.600 0.225 0.000 1.346 96 S CA -0.194 58.143 58.200 0.230 0.000 1.034 96 S CB 0.042 63.324 63.200 0.138 0.000 0.879 96 S HN 0.495 nan 8.310 nan 0.000 0.528 97 F N -0.960 119.025 119.950 0.059 0.000 2.650 97 F HA 0.746 5.272 4.527 -0.001 0.000 0.320 97 F C -0.227 175.579 175.800 0.009 0.000 1.091 97 F CA -1.281 56.735 58.000 0.028 0.000 0.962 97 F CB 1.156 40.168 39.000 0.020 0.000 1.363 97 F HN 0.399 nan 8.300 nan 0.000 0.482 98 S N 1.608 117.450 115.700 0.236 0.000 2.439 98 S HA 0.244 4.713 4.470 -0.001 0.000 0.282 98 S C 1.182 175.902 174.600 0.201 0.000 1.170 98 S CA -0.505 57.759 58.200 0.107 0.000 1.054 98 S CB 0.606 63.868 63.200 0.105 0.000 0.956 98 S HN 0.929 nan 8.310 nan 0.000 0.490 99 R N 3.291 123.786 120.500 -0.007 0.000 2.103 99 R HA -0.127 4.213 4.340 -0.001 0.000 0.242 99 R C 1.699 178.070 176.300 0.118 0.000 1.142 99 R CA 1.754 57.894 56.100 0.066 0.000 0.960 99 R CB -0.174 30.089 30.300 -0.061 0.000 0.858 99 R HN 0.662 nan 8.270 nan 0.000 0.439 100 Q N 0.441 120.282 119.800 0.069 0.000 2.123 100 Q HA -0.139 4.201 4.340 -0.001 0.000 0.199 100 Q C 1.898 177.942 176.000 0.074 0.000 0.966 100 Q CA 1.497 57.334 55.803 0.057 0.000 0.845 100 Q CB -0.061 28.697 28.738 0.034 0.000 0.907 100 Q HN 0.529 nan 8.270 nan 0.000 0.439 101 E N 0.467 120.725 120.200 0.097 0.000 2.058 101 E HA -0.220 4.129 4.350 -0.001 0.000 0.194 101 E C 1.941 178.597 176.600 0.094 0.000 0.997 101 E CA 1.236 57.692 56.400 0.093 0.000 0.801 101 E CB 0.035 29.799 29.700 0.107 0.000 0.746 101 E HN 0.003 nan 8.360 nan 0.000 0.450 102 K N 1.194 121.686 120.400 0.153 0.000 2.057 102 K HA -0.177 4.143 4.320 -0.001 0.000 0.207 102 K C 1.976 178.611 176.600 0.059 0.000 1.049 102 K CA 1.469 57.810 56.287 0.091 0.000 0.931 102 K CB -0.070 32.528 32.500 0.163 0.000 0.714 102 K HN 0.092 nan 8.250 nan 0.000 0.440 103 Q N -0.755 119.091 119.800 0.077 0.000 2.135 103 Q HA -0.137 4.202 4.340 -0.001 0.000 0.204 103 Q C 2.020 178.033 176.000 0.021 0.000 0.981 103 Q CA 1.603 57.428 55.803 0.037 0.000 0.856 103 Q CB -0.203 28.553 28.738 0.031 0.000 0.902 103 Q HN 0.437 nan 8.270 nan 0.000 0.425 104 A N 0.920 123.758 122.820 0.029 0.000 1.872 104 A HA -0.161 4.158 4.320 -0.001 0.000 0.214 104 A C 2.294 179.893 177.584 0.025 0.000 1.187 104 A CA 1.515 53.566 52.037 0.024 0.000 0.614 104 A CB -0.613 18.403 19.000 0.027 0.000 0.826 104 A HN 0.442 nan 8.150 nan 0.000 0.442 105 S N 0.615 116.330 115.700 0.026 0.000 2.368 105 S HA -0.044 4.426 4.470 -0.001 0.000 0.225 105 S C 2.129 176.758 174.600 0.049 0.000 1.030 105 S CA 1.419 59.639 58.200 0.033 0.000 0.999 105 S CB -0.823 62.389 63.200 0.019 0.000 0.844 105 S HN 0.898 nan 8.310 nan 0.000 0.459 106 A N 2.261 125.083 122.820 0.003 0.000 1.908 106 A HA -0.044 4.275 4.320 -0.001 0.000 0.218 106 A C 2.362 179.970 177.584 0.040 0.000 1.181 106 A CA 1.438 53.464 52.037 -0.019 0.000 0.627 106 A CB -0.698 18.249 19.000 -0.088 0.000 0.818 106 A HN 0.518 nan 8.150 nan 0.000 0.445 107 R N -1.003 119.511 120.500 0.024 0.000 2.241 107 R HA -0.019 4.321 4.340 -0.001 0.000 0.224 107 R C 1.951 178.273 176.300 0.037 0.000 1.101 107 R CA 1.117 57.230 56.100 0.023 0.000 0.995 107 R CB -0.096 30.209 30.300 0.009 0.000 0.870 107 R HN 0.497 nan 8.270 nan 0.000 0.463 108 R N -1.348 119.185 120.500 0.054 0.000 2.282 108 R HA 0.061 4.400 4.340 -0.001 0.000 0.195 108 R C 0.072 176.400 176.300 0.047 0.000 0.909 108 R CA -0.320 55.802 56.100 0.036 0.000 1.039 108 R CB 0.204 30.519 30.300 0.024 0.000 1.015 108 R HN -0.014 nan 8.270 nan 0.000 0.513 109 F N 1.302 121.221 119.950 -0.051 0.000 2.602 109 F HA -0.139 4.387 4.527 -0.001 0.000 0.385 109 F C 1.503 177.270 175.800 -0.055 0.000 1.063 109 F CA 1.035 58.999 58.000 -0.059 0.000 1.233 109 F CB 1.144 40.097 39.000 -0.078 0.000 1.067 109 F HN -0.197 nan 8.300 nan 0.000 0.564 110 T N 4.776 119.033 114.554 -0.495 0.000 3.026 110 T HA 0.111 4.461 4.350 -0.001 0.000 0.245 110 T C 0.518 175.030 174.700 -0.313 0.000 1.004 110 T CA -0.265 61.663 62.100 -0.286 0.000 1.069 110 T CB 0.004 68.741 68.868 -0.217 0.000 1.005 110 T HN 0.588 nan 8.240 nan 0.000 0.472 111 R N 1.761 121.910 120.500 -0.584 0.000 2.288 111 R HA 0.665 5.004 4.340 -0.001 0.000 0.330 111 R C -0.058 176.187 176.300 -0.090 0.000 1.069 111 R CA -0.119 55.785 56.100 -0.327 0.000 0.941 111 R CB 0.568 30.666 30.300 -0.337 0.000 0.998 111 R HN -0.037 nan 8.270 nan 0.000 0.452 112 S N 1.675 117.362 115.700 -0.021 0.000 2.690 112 S HA 0.246 4.715 4.470 -0.001 0.000 0.285 112 S C -0.692 173.926 174.600 0.030 0.000 1.135 112 S CA -0.829 57.394 58.200 0.040 0.000 1.020 112 S CB 0.920 64.130 63.200 0.016 0.000 1.159 112 S HN 0.734 nan 8.310 nan 0.000 0.534 113 Q N 0.803 120.618 119.800 0.025 0.000 2.331 113 Q HA 0.402 4.741 4.340 -0.001 0.000 0.267 113 Q C -1.367 174.646 176.000 0.023 0.000 1.006 113 Q CA -0.324 55.492 55.803 0.023 0.000 0.818 113 Q CB 1.297 30.049 28.738 0.024 0.000 1.276 113 Q HN 0.523 nan 8.270 nan 0.000 0.450 114 S N 3.578 119.290 115.700 0.020 0.000 2.481 114 S HA 0.272 4.742 4.470 -0.001 0.000 0.282 114 S C -0.908 173.712 174.600 0.034 0.000 1.243 114 S CA -0.159 58.055 58.200 0.024 0.000 1.078 114 S CB 0.052 63.262 63.200 0.016 0.000 0.916 114 S HN 0.434 nan 8.310 nan 0.000 0.495 115 L N 5.440 126.690 121.223 0.045 0.000 2.406 115 L HA 0.516 4.856 4.340 -0.001 0.000 0.272 115 L C -1.204 175.696 176.870 0.050 0.000 0.980 115 L CA -0.612 54.263 54.840 0.058 0.000 0.831 115 L CB 1.702 43.820 42.059 0.098 0.000 1.253 115 L HN 0.583 nan 8.230 nan 0.000 0.406 116 N N 3.554 122.276 118.700 0.037 0.000 2.372 116 N HA 0.560 5.300 4.740 -0.001 0.000 0.291 116 N C -0.834 174.686 175.510 0.017 0.000 1.024 116 N CA -0.676 52.390 53.050 0.027 0.000 0.873 116 N CB 1.868 40.368 38.487 0.020 0.000 1.206 116 N HN 0.160 nan 8.380 nan 0.000 0.486 117 V N 1.483 121.402 119.914 0.008 0.000 2.555 117 V HA 0.082 4.201 4.120 -0.001 0.000 0.286 117 V C 1.415 177.505 176.094 -0.007 0.000 1.044 117 V CA -0.413 61.880 62.300 -0.012 0.000 1.026 117 V CB 1.047 32.855 31.823 -0.025 0.000 0.981 117 V HN 0.753 nan 8.190 nan 0.000 0.480 118 V N 1.002 120.909 119.914 -0.011 0.000 3.523 118 V HA 0.438 4.558 4.120 -0.001 0.000 0.255 118 V C 0.504 176.593 176.094 -0.009 0.000 1.226 118 V CA 0.507 62.803 62.300 -0.006 0.000 1.092 118 V CB 0.198 32.021 31.823 -0.001 0.000 0.817 118 V HN 0.840 nan 8.190 nan 0.000 0.458 119 E N 0.749 120.938 120.200 -0.018 0.000 2.343 119 E HA 0.570 4.919 4.350 -0.001 0.000 0.278 119 E C -1.325 175.255 176.600 -0.034 0.000 0.910 119 E CA -0.795 55.594 56.400 -0.018 0.000 0.757 119 E CB 2.757 32.449 29.700 -0.013 0.000 1.218 119 E HN 0.400 nan 8.360 nan 0.000 0.435 120 R N 3.208 123.691 120.500 -0.028 0.000 2.483 120 R HA 0.251 4.591 4.340 -0.001 0.000 0.303 120 R C -1.366 174.920 176.300 -0.023 0.000 0.987 120 R CA -0.480 55.596 56.100 -0.040 0.000 0.881 120 R CB 1.335 31.611 30.300 -0.040 0.000 1.177 120 R HN 0.360 nan 8.270 nan 0.000 0.451 121 Q N 2.712 122.495 119.800 -0.028 0.000 2.325 121 Q HA 0.425 4.765 4.340 -0.001 0.000 0.270 121 Q C -1.189 174.805 176.000 -0.011 0.000 1.020 121 Q CA -0.541 55.258 55.803 -0.007 0.000 0.785 121 Q CB 2.248 30.986 28.738 -0.000 0.000 1.259 121 Q HN 0.776 nan 8.270 nan 0.000 0.452 122 A N 4.613 127.445 122.820 0.020 0.000 2.362 122 A HA 0.588 4.907 4.320 -0.001 0.000 0.276 122 A C -0.217 177.409 177.584 0.070 0.000 1.153 122 A CA -0.173 51.886 52.037 0.035 0.000 0.813 122 A CB 0.083 19.151 19.000 0.114 0.000 1.081 122 A HN 0.704 nan 8.150 nan 0.000 0.507 123 I N 5.642 126.246 120.570 0.055 0.000 2.448 123 I HA 0.306 4.476 4.170 -0.001 0.000 0.281 123 I C -2.168 174.089 176.117 0.233 0.000 1.027 123 I CA -1.858 59.518 61.300 0.128 0.000 1.111 123 I CB 2.358 40.415 38.000 0.096 0.000 1.236 123 I HN 0.529 nan 8.210 nan 0.000 0.452 124 P HA 0.342 nan 4.420 nan 0.000 0.302 124 P C -0.368 177.078 177.300 0.244 0.000 1.307 124 P CA -0.336 62.912 63.100 0.246 0.000 0.754 124 P CB 1.123 32.981 31.700 0.262 0.000 1.298 125 E N -1.133 119.172 120.200 0.175 0.000 2.561 125 E HA 0.083 4.432 4.350 -0.001 0.000 0.254 125 E C 1.469 178.020 176.600 -0.081 0.000 1.213 125 E CA -0.401 56.074 56.400 0.123 0.000 0.995 125 E CB 0.223 29.948 29.700 0.043 0.000 1.233 125 E HN 0.361 nan 8.360 nan 0.000 0.556 126 Q N -0.270 119.188 119.800 -0.570 0.000 2.077 126 Q HA -0.218 4.122 4.340 -0.001 0.000 0.206 126 Q C 1.714 177.399 176.000 -0.524 0.000 0.989 126 Q CA 2.541 57.557 55.803 -1.312 0.000 0.853 126 Q CB -0.091 27.867 28.738 -1.300 0.000 0.907 126 Q HN 0.568 nan 8.270 nan 0.000 0.418 127 T N -0.172 114.211 114.554 -0.284 0.000 2.701 127 T HA -0.120 4.230 4.350 -0.001 0.000 0.263 127 T C 1.815 176.482 174.700 -0.056 0.000 1.040 127 T CA 1.704 63.715 62.100 -0.148 0.000 1.147 127 T CB -0.549 68.254 68.868 -0.107 0.000 0.865 127 T HN 0.421 nan 8.240 nan 0.000 0.426 128 T N 1.864 116.415 114.554 -0.005 0.000 2.699 128 T HA -0.106 4.244 4.350 -0.001 0.000 0.268 128 T C 1.555 176.311 174.700 0.094 0.000 1.036 128 T CA 1.216 63.343 62.100 0.045 0.000 1.147 128 T CB -0.554 68.362 68.868 0.080 0.000 0.862 128 T HN 0.305 nan 8.240 nan 0.000 0.446 129 F N 1.828 121.792 119.950 0.023 0.000 2.069 129 F HA -0.106 4.421 4.527 -0.001 0.000 0.298 129 F C 2.341 178.182 175.800 0.069 0.000 1.113 129 F CA 1.512 59.578 58.000 0.110 0.000 1.214 129 F CB -0.372 38.815 39.000 0.311 0.000 0.978 129 F HN 0.184 nan 8.300 nan 0.000 0.474 130 E N -0.456 119.776 120.200 0.053 0.000 2.171 130 E HA -0.295 4.054 4.350 -0.001 0.000 0.197 130 E C 2.109 178.650 176.600 -0.097 0.000 0.997 130 E CA 1.672 58.047 56.400 -0.041 0.000 0.810 130 E CB -0.212 29.467 29.700 -0.035 0.000 0.738 130 E HN 0.624 nan 8.360 nan 0.000 0.467 131 Q N -0.289 119.463 119.800 -0.080 0.000 2.172 131 Q HA -0.062 4.278 4.340 -0.001 0.000 0.200 131 Q C 2.055 177.992 176.000 -0.105 0.000 0.964 131 Q CA 0.965 56.723 55.803 -0.074 0.000 0.855 131 Q CB -0.012 28.697 28.738 -0.048 0.000 0.918 131 Q HN 0.310 nan 8.270 nan 0.000 0.444 132 M N -0.232 119.276 119.600 -0.153 0.000 2.229 132 M HA -0.153 4.327 4.480 -0.001 0.000 0.264 132 M C 2.004 178.163 176.300 -0.235 0.000 1.063 132 M CA 1.017 56.203 55.300 -0.189 0.000 1.114 132 M CB 0.107 32.573 32.600 -0.223 0.000 1.387 132 M HN 0.072 nan 8.290 nan 0.000 0.420 133 V N -0.161 119.562 119.914 -0.319 0.000 2.379 133 V HA -0.186 3.933 4.120 -0.001 0.000 0.245 133 V C 2.547 178.570 176.094 -0.119 0.000 1.044 133 V CA 1.833 63.983 62.300 -0.249 0.000 1.036 133 V CB -1.224 30.445 31.823 -0.258 0.000 0.664 133 V HN 0.495 nan 8.190 nan 0.000 0.453 134 A N 0.228 122.990 122.820 -0.096 0.000 1.902 134 A HA -0.261 4.059 4.320 -0.001 0.000 0.217 134 A C 2.407 179.962 177.584 -0.048 0.000 1.181 134 A CA 2.112 54.116 52.037 -0.055 0.000 0.623 134 A CB -0.572 18.401 19.000 -0.046 0.000 0.818 134 A HN 0.468 nan 8.150 nan 0.000 0.443 135 R N -0.722 119.742 120.500 -0.060 0.000 2.189 135 R HA 0.029 4.369 4.340 -0.001 0.000 0.218 135 R C 2.002 178.276 176.300 -0.044 0.000 1.074 135 R CA 1.096 57.168 56.100 -0.048 0.000 0.991 135 R CB -0.223 30.046 30.300 -0.051 0.000 0.883 135 R HN 0.473 nan 8.270 nan 0.000 0.457 136 A N 0.164 122.951 122.820 -0.054 0.000 1.943 136 A HA 0.168 4.488 4.320 -0.001 0.000 0.213 136 A C 2.222 179.796 177.584 -0.016 0.000 1.181 136 A CA 0.778 52.792 52.037 -0.038 0.000 0.653 136 A CB -0.383 18.586 19.000 -0.051 0.000 0.833 136 A HN 0.404 nan 8.150 nan 0.000 0.451 137 A N 0.353 123.163 122.820 -0.017 0.000 1.908 137 A HA 0.081 4.400 4.320 -0.001 0.000 0.218 137 A C 2.452 180.040 177.584 0.007 0.000 1.181 137 A CA 2.227 54.267 52.037 0.004 0.000 0.627 137 A CB -0.975 18.027 19.000 0.003 0.000 0.818 137 A HN 1.044 nan 8.150 nan 0.000 0.445 138 A N -0.594 122.223 122.820 -0.004 0.000 1.930 138 A HA 0.035 4.355 4.320 -0.001 0.000 0.217 138 A C 2.075 179.659 177.584 -0.001 0.000 1.175 138 A CA 1.398 53.433 52.037 -0.004 0.000 0.627 138 A CB -0.501 18.493 19.000 -0.011 0.000 0.815 138 A HN 0.473 nan 8.150 nan 0.000 0.443 139 L N 0.036 121.256 121.223 -0.004 0.000 2.395 139 L HA -0.082 4.258 4.340 -0.001 0.000 0.218 139 L C 2.667 179.542 176.870 0.007 0.000 1.130 139 L CA 1.416 56.253 54.840 -0.004 0.000 0.826 139 L CB -0.417 41.635 42.059 -0.012 0.000 0.941 139 L HN 0.629 nan 8.230 nan 0.000 0.451 140 T N -3.743 110.824 114.554 0.021 0.000 3.043 140 T HA 0.066 4.416 4.350 -0.001 0.000 0.263 140 T C 1.871 176.599 174.700 0.047 0.000 1.094 140 T CA 0.638 62.764 62.100 0.044 0.000 1.127 140 T CB -0.002 68.906 68.868 0.067 0.000 0.905 140 T HN 0.239 nan 8.240 nan 0.000 0.490 141 A N 2.062 124.900 122.820 0.030 0.000 2.014 141 A HA 0.193 4.513 4.320 -0.001 0.000 0.218 141 A C 1.800 179.394 177.584 0.017 0.000 1.163 141 A CA 1.082 53.132 52.037 0.023 0.000 0.652 141 A CB -1.018 17.990 19.000 0.013 0.000 0.808 141 A HN 0.715 nan 8.150 nan 0.000 0.449 142 T N -3.365 111.196 114.554 0.012 0.000 2.788 142 T HA 0.367 4.716 4.350 -0.001 0.000 0.280 142 T C -1.335 173.370 174.700 0.008 0.000 0.984 142 T CA -1.030 61.074 62.100 0.006 0.000 0.972 142 T CB 0.833 69.700 68.868 -0.002 0.000 1.039 142 T HN 0.074 nan 8.240 nan 0.000 0.530 143 P HA -0.109 nan 4.420 nan 0.000 0.223 143 P C 1.385 178.676 177.300 -0.015 0.000 1.151 143 P CA 0.969 64.069 63.100 -0.001 0.000 0.787 143 P CB -0.019 31.678 31.700 -0.004 0.000 0.788 144 Q N 0.242 120.029 119.800 -0.021 0.000 2.084 144 Q HA -0.029 4.311 4.340 -0.001 0.000 0.202 144 Q C 1.047 177.015 176.000 -0.054 0.000 0.978 144 Q CA 1.078 56.858 55.803 -0.038 0.000 0.844 144 Q CB -0.824 27.895 28.738 -0.033 0.000 0.898 144 Q HN 0.192 nan 8.270 nan 0.000 0.426 145 V N -2.720 117.175 119.914 -0.032 0.000 3.049 145 V HA 0.297 4.416 4.120 -0.001 0.000 0.309 145 V C -0.744 175.366 176.094 0.026 0.000 1.148 145 V CA -0.932 61.349 62.300 -0.032 0.000 0.990 145 V CB 2.284 34.093 31.823 -0.022 0.000 1.039 145 V HN -0.082 nan 8.190 nan 0.000 0.430 146 D N 0.480 120.921 120.400 0.069 0.000 2.394 146 D HA 0.188 4.827 4.640 -0.001 0.000 0.226 146 D C 0.374 176.771 176.300 0.162 0.000 0.990 146 D CA 0.785 54.883 54.000 0.164 0.000 0.902 146 D CB 0.944 41.922 40.800 0.296 0.000 1.038 146 D HN 0.628 nan 8.370 nan 0.000 0.499 147 K N 1.136 121.623 120.400 0.145 0.000 2.535 147 K HA 0.369 4.688 4.320 -0.001 0.000 0.251 147 K C -1.489 175.169 176.600 0.097 0.000 0.942 147 K CA -0.537 55.820 56.287 0.117 0.000 0.798 147 K CB 2.654 35.221 32.500 0.113 0.000 1.267 147 K HN -0.134 nan 8.250 nan 0.000 0.434 148 V N 1.253 121.210 119.914 0.073 0.000 2.604 148 V HA 0.672 4.792 4.120 -0.001 0.000 0.305 148 V C -0.615 175.521 176.094 0.070 0.000 1.043 148 V CA -0.884 61.456 62.300 0.067 0.000 0.888 148 V CB 1.455 33.299 31.823 0.036 0.000 0.995 148 V HN 0.468 nan 8.190 nan 0.000 0.429 149 V N 5.973 125.940 119.914 0.088 0.000 2.427 149 V HA 0.730 4.850 4.120 -0.001 0.000 0.286 149 V C -0.909 175.231 176.094 0.078 0.000 1.034 149 V CA -0.347 62.005 62.300 0.087 0.000 0.893 149 V CB 1.164 33.049 31.823 0.103 0.000 0.982 149 V HN 0.838 nan 8.190 nan 0.000 0.452 150 L N 6.391 127.665 121.223 0.084 0.000 2.329 150 L HA 0.768 5.107 4.340 -0.001 0.000 0.279 150 L C 0.376 177.379 176.870 0.221 0.000 1.014 150 L CA 0.368 55.273 54.840 0.108 0.000 0.814 150 L CB 1.965 44.035 42.059 0.018 0.000 1.257 150 L HN 1.069 nan 8.230 nan 0.000 0.424 151 S N 3.485 119.351 115.700 0.276 0.000 2.677 151 S HA 1.003 5.472 4.470 -0.001 0.000 0.304 151 S C -0.496 174.384 174.600 0.466 0.000 1.108 151 S CA -0.941 57.397 58.200 0.229 0.000 0.944 151 S CB 2.685 65.951 63.200 0.110 0.000 1.127 151 S HN 0.652 nan 8.310 nan 0.000 0.511 152 R N -0.544 119.988 120.500 0.052 0.000 2.869 152 R HA 0.831 5.170 4.340 -0.001 0.000 0.263 152 R C -1.972 174.125 176.300 -0.339 0.000 1.066 152 R CA -1.043 55.063 56.100 0.010 0.000 0.960 152 R CB 0.448 30.592 30.300 -0.260 0.000 1.221 152 R HN 0.432 nan 8.270 nan 0.000 0.474 153 L N 0.829 121.848 121.223 -0.341 0.000 2.333 153 L HA 0.592 4.932 4.340 -0.001 0.000 0.263 153 L C -0.659 176.062 176.870 -0.248 0.000 1.014 153 L CA -1.038 53.576 54.840 -0.378 0.000 0.820 153 L CB 2.064 43.849 42.059 -0.457 0.000 1.352 153 L HN 0.616 nan 8.230 nan 0.000 0.421 154 I N 1.557 121.991 120.570 -0.226 0.000 2.439 154 I HA 0.279 4.449 4.170 -0.001 0.000 0.285 154 I C -1.069 174.964 176.117 -0.140 0.000 1.021 154 I CA -0.659 60.541 61.300 -0.166 0.000 1.091 154 I CB 1.844 39.737 38.000 -0.178 0.000 1.242 154 I HN 0.422 nan 8.210 nan 0.000 0.439 155 D N 7.228 127.567 120.400 -0.101 0.000 2.198 155 D HA 0.577 5.216 4.640 -0.001 0.000 0.245 155 D C -0.443 175.797 176.300 -0.100 0.000 1.079 155 D CA 0.134 54.084 54.000 -0.083 0.000 0.854 155 D CB 1.844 42.618 40.800 -0.044 0.000 1.148 155 D HN 0.269 nan 8.370 nan 0.000 0.456 156 I N 1.713 122.204 120.570 -0.132 0.000 2.466 156 I HA 0.242 4.411 4.170 -0.001 0.000 0.289 156 I C -0.260 175.787 176.117 -0.117 0.000 1.026 156 I CA -0.542 60.664 61.300 -0.157 0.000 1.078 156 I CB 2.098 39.924 38.000 -0.289 0.000 1.249 156 I HN 0.094 nan 8.210 nan 0.000 0.429 157 T N 3.337 117.845 114.554 -0.077 0.000 2.823 157 T HA 0.428 4.778 4.350 -0.001 0.000 0.279 157 T C -0.165 174.512 174.700 -0.038 0.000 0.998 157 T CA -0.464 61.608 62.100 -0.046 0.000 0.994 157 T CB 1.973 70.827 68.868 -0.024 0.000 0.960 157 T HN 0.525 nan 8.240 nan 0.000 0.448 158 T N 0.744 115.286 114.554 -0.021 0.000 2.940 158 T HA 0.351 4.701 4.350 -0.001 0.000 0.288 158 T C 0.298 175.003 174.700 0.009 0.000 1.045 158 T CA -0.731 61.367 62.100 -0.003 0.000 1.018 158 T CB 1.177 70.054 68.868 0.016 0.000 1.151 158 T HN 0.714 nan 8.240 nan 0.000 0.529 159 D N 0.364 120.772 120.400 0.015 0.000 2.339 159 D HA 0.355 4.995 4.640 -0.001 0.000 0.217 159 D C 0.137 176.448 176.300 0.018 0.000 1.050 159 D CA -0.231 53.778 54.000 0.014 0.000 0.856 159 D CB 0.087 40.895 40.800 0.013 0.000 0.922 159 D HN 0.527 nan 8.370 nan 0.000 0.518 160 A N -0.199 122.636 122.820 0.025 0.000 2.572 160 A HA 0.699 5.019 4.320 -0.001 0.000 0.295 160 A C -0.657 176.948 177.584 0.034 0.000 1.072 160 A CA -0.496 51.557 52.037 0.027 0.000 0.691 160 A CB 1.244 20.260 19.000 0.027 0.000 1.291 160 A HN 0.279 nan 8.150 nan 0.000 0.404 161 A N 0.870 123.709 122.820 0.032 0.000 2.546 161 A HA 0.462 4.782 4.320 -0.001 0.000 0.243 161 A C 0.032 177.646 177.584 0.049 0.000 1.063 161 A CA 0.282 52.341 52.037 0.037 0.000 0.757 161 A CB -0.581 18.437 19.000 0.030 0.000 0.991 161 A HN 0.718 nan 8.150 nan 0.000 0.503 162 I N 2.352 122.962 120.570 0.066 0.000 2.396 162 I HA 0.044 4.214 4.170 -0.001 0.000 0.289 162 I C 0.349 176.496 176.117 0.050 0.000 1.056 162 I CA -0.175 61.176 61.300 0.085 0.000 1.365 162 I CB 0.801 38.899 38.000 0.163 0.000 1.407 162 I HN 0.593 nan 8.210 nan 0.000 0.509 163 D N 5.008 125.424 120.400 0.028 0.000 2.342 163 D HA -0.011 4.628 4.640 -0.001 0.000 0.260 163 D C 1.252 177.537 176.300 -0.026 0.000 1.278 163 D CA 0.098 54.101 54.000 0.006 0.000 0.910 163 D CB 0.955 41.757 40.800 0.004 0.000 1.079 163 D HN 0.602 nan 8.370 nan 0.000 0.496 164 S N 1.909 117.607 115.700 -0.005 0.000 2.481 164 S HA -0.027 4.442 4.470 -0.001 0.000 0.231 164 S C 1.913 176.479 174.600 -0.056 0.000 0.996 164 S CA 0.555 58.750 58.200 -0.008 0.000 0.942 164 S CB 0.076 63.314 63.200 0.063 0.000 0.768 164 S HN 0.446 nan 8.310 nan 0.000 0.520 165 G N 1.582 110.325 108.800 -0.095 0.000 2.395 165 G HA2 -0.044 3.916 3.960 -0.001 0.000 0.214 165 G HA3 -0.044 3.916 3.960 -0.001 0.000 0.214 165 G C 1.381 176.089 174.900 -0.320 0.000 1.177 165 G CA 0.769 45.736 45.100 -0.221 0.000 0.794 165 G HN 0.446 nan 8.290 nan 0.000 0.532 166 V N 0.610 120.391 119.914 -0.221 0.000 2.407 166 V HA -0.111 4.008 4.120 -0.001 0.000 0.248 166 V C 2.728 178.660 176.094 -0.270 0.000 1.055 166 V CA 1.407 63.573 62.300 -0.224 0.000 1.049 166 V CB -0.353 31.471 31.823 0.002 0.000 0.662 166 V HN 0.285 nan 8.190 nan 0.000 0.455 167 L N -0.569 120.500 121.223 -0.255 0.000 2.056 167 L HA -0.108 4.232 4.340 -0.001 0.000 0.207 167 L C 2.184 178.854 176.870 -0.332 0.000 1.078 167 L CA 1.689 56.335 54.840 -0.324 0.000 0.749 167 L CB -0.601 41.231 42.059 -0.379 0.000 0.901 167 L HN 0.310 nan 8.230 nan 0.000 0.433 168 L N -0.717 120.305 121.223 -0.336 0.000 2.046 168 L HA -0.206 4.134 4.340 -0.001 0.000 0.208 168 L C 2.369 178.975 176.870 -0.440 0.000 1.077 168 L CA 1.671 56.271 54.840 -0.400 0.000 0.747 168 L CB -0.668 41.093 42.059 -0.498 0.000 0.896 168 L HN 0.251 nan 8.230 nan 0.000 0.432 169 E N -0.093 119.804 120.200 -0.504 0.000 2.038 169 E HA -0.227 4.122 4.350 -0.001 0.000 0.195 169 E C 2.415 178.837 176.600 -0.296 0.000 1.000 169 E CA 1.552 57.646 56.400 -0.510 0.000 0.803 169 E CB -0.167 28.971 29.700 -0.936 0.000 0.750 169 E HN 0.393 nan 8.360 nan 0.000 0.448 170 R N -0.227 120.125 120.500 -0.246 0.000 2.081 170 R HA -0.114 4.226 4.340 -0.001 0.000 0.235 170 R C 2.607 178.806 176.300 -0.167 0.000 1.131 170 R CA 1.324 57.327 56.100 -0.162 0.000 0.960 170 R CB -0.515 29.685 30.300 -0.168 0.000 0.856 170 R HN 0.277 nan 8.270 nan 0.000 0.436 171 L N 0.795 121.891 121.223 -0.212 0.000 2.046 171 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 171 L C 2.061 178.841 176.870 -0.150 0.000 1.077 171 L CA 1.460 56.187 54.840 -0.188 0.000 0.747 171 L CB -0.130 41.792 42.059 -0.227 0.000 0.896 171 L HN 0.149 nan 8.230 nan 0.000 0.432 172 I N 0.176 120.648 120.570 -0.164 0.000 2.252 172 I HA -0.253 3.917 4.170 -0.001 0.000 0.245 172 I C 2.807 178.876 176.117 -0.080 0.000 1.102 172 I CA 1.105 62.340 61.300 -0.109 0.000 1.385 172 I CB -0.572 37.358 38.000 -0.117 0.000 1.064 172 I HN 0.340 nan 8.210 nan 0.000 0.414 173 A N 0.215 122.983 122.820 -0.087 0.000 1.908 173 A HA -0.258 4.061 4.320 -0.001 0.000 0.218 173 A C 2.237 179.789 177.584 -0.054 0.000 1.181 173 A CA 1.679 53.683 52.037 -0.055 0.000 0.627 173 A CB -0.572 18.402 19.000 -0.043 0.000 0.818 173 A HN 0.510 nan 8.150 nan 0.000 0.445 174 Q N -0.653 119.105 119.800 -0.069 0.000 2.331 174 Q HA 0.057 4.397 4.340 -0.001 0.000 0.203 174 Q C -0.255 175.708 176.000 -0.062 0.000 0.944 174 Q CA 0.602 56.366 55.803 -0.064 0.000 0.892 174 Q CB 0.170 28.864 28.738 -0.073 0.000 0.983 174 Q HN 0.607 nan 8.270 nan 0.000 0.482 175 N N 0.663 119.324 118.700 -0.066 0.000 2.733 175 N HA 0.125 4.864 4.740 -0.001 0.000 0.271 175 N C -2.335 173.143 175.510 -0.055 0.000 1.720 175 N CA -0.801 52.214 53.050 -0.059 0.000 0.803 175 N CB 1.352 39.803 38.487 -0.061 0.000 1.208 175 N HN 0.071 nan 8.380 nan 0.000 0.498 176 P HA -0.069 nan 4.420 nan 0.000 0.218 176 P C 1.319 178.588 177.300 -0.051 0.000 1.149 176 P CA 0.867 63.944 63.100 -0.038 0.000 0.817 176 P CB 0.655 32.336 31.700 -0.032 0.000 0.785 177 V N -0.015 119.860 119.914 -0.065 0.000 3.174 177 V HA -0.027 4.093 4.120 -0.001 0.000 0.254 177 V C 1.649 177.654 176.094 -0.149 0.000 1.120 177 V CA 1.015 63.260 62.300 -0.092 0.000 1.114 177 V CB -0.736 31.043 31.823 -0.073 0.000 0.756 177 V HN 0.219 nan 8.190 nan 0.000 0.467 178 S N -0.927 114.706 115.700 -0.111 0.000 2.634 178 S HA 0.318 4.788 4.470 -0.001 0.000 0.261 178 S C -0.460 174.022 174.600 -0.198 0.000 1.271 178 S CA -0.394 57.742 58.200 -0.108 0.000 0.985 178 S CB 0.036 63.248 63.200 0.022 0.000 0.968 178 S HN 0.267 nan 8.310 nan 0.000 0.568 179 Y N 1.268 121.572 120.300 0.006 0.000 2.640 179 Y HA 0.278 4.828 4.550 -0.001 0.000 0.355 179 Y C 0.376 176.256 175.900 -0.034 0.000 1.088 179 Y CA -0.573 57.477 58.100 -0.083 0.000 1.443 179 Y CB -0.517 37.932 38.460 -0.019 0.000 1.224 179 Y HN 0.469 nan 8.280 nan 0.000 0.516 180 N N 4.932 123.615 118.700 -0.029 0.000 2.434 180 N HA 0.315 5.055 4.740 -0.001 0.000 0.272 180 N C -0.849 174.695 175.510 0.056 0.000 1.040 180 N CA -0.415 52.619 53.050 -0.027 0.000 0.956 180 N CB 0.827 39.328 38.487 0.023 0.000 1.108 180 N HN 0.477 nan 8.380 nan 0.000 0.481 181 F N -0.770 119.219 119.950 0.064 0.000 2.593 181 F HA 0.572 5.098 4.527 -0.001 0.000 0.320 181 F C -0.296 175.594 175.800 0.151 0.000 1.060 181 F CA -0.979 57.096 58.000 0.124 0.000 0.940 181 F CB 1.843 40.964 39.000 0.203 0.000 1.268 181 F HN 0.309 nan 8.300 nan 0.000 0.475 182 H N 2.014 121.188 119.070 0.173 0.000 3.275 182 H HA 0.469 5.025 4.556 -0.001 0.000 0.326 182 H C -2.174 173.211 175.328 0.094 0.000 1.096 182 H CA -0.525 55.555 56.048 0.053 0.000 1.579 182 H CB 1.596 31.287 29.762 -0.118 0.000 1.834 182 H HN 0.903 nan 8.280 nan 0.000 0.510 183 V N 6.220 126.218 119.914 0.140 0.000 2.448 183 V HA 0.539 4.659 4.120 -0.001 0.000 0.295 183 V C -2.821 173.374 176.094 0.168 0.000 1.025 183 V CA -2.227 60.257 62.300 0.305 0.000 0.859 183 V CB 1.931 34.034 31.823 0.466 0.000 0.988 183 V HN 0.531 nan 8.190 nan 0.000 0.431 184 P HA 0.232 nan 4.420 nan 0.000 0.266 184 P C -0.868 176.517 177.300 0.143 0.000 1.215 184 P CA -0.008 63.196 63.100 0.173 0.000 0.763 184 P CB 0.447 32.271 31.700 0.206 0.000 0.806 185 L N 2.893 124.157 121.223 0.068 0.000 2.387 185 L HA 0.466 4.806 4.340 -0.001 0.000 0.266 185 L C 1.660 178.539 176.870 0.014 0.000 1.059 185 L CA -0.327 54.543 54.840 0.050 0.000 0.801 185 L CB -0.201 41.872 42.059 0.025 0.000 1.223 185 L HN 0.342 nan 8.230 nan 0.000 0.456 186 A N 0.265 123.091 122.820 0.010 0.000 1.929 186 A HA -0.066 4.253 4.320 -0.001 0.000 0.216 186 A C 0.626 178.204 177.584 -0.009 0.000 1.176 186 A CA 0.902 52.934 52.037 -0.009 0.000 0.628 186 A CB -0.842 18.156 19.000 -0.003 0.000 0.816 186 A HN 0.852 nan 8.150 nan 0.000 0.444 187 D N -1.107 119.290 120.400 -0.004 0.000 2.349 187 D HA 0.310 4.949 4.640 -0.001 0.000 0.239 187 D C 1.077 177.377 176.300 -0.001 0.000 1.315 187 D CA 0.186 54.185 54.000 -0.002 0.000 0.937 187 D CB -0.067 40.732 40.800 -0.001 0.000 1.133 187 D HN 0.009 nan 8.370 nan 0.000 0.489 188 G N -1.430 107.371 108.800 0.002 0.000 3.155 188 G HA2 0.342 4.302 3.960 -0.001 0.000 0.213 188 G HA3 0.342 4.302 3.960 -0.001 0.000 0.213 188 G C 0.700 175.605 174.900 0.009 0.000 1.196 188 G CA -0.032 45.072 45.100 0.006 0.000 0.846 188 G HN 0.643 nan 8.290 nan 0.000 0.516 189 G N -1.018 107.785 108.800 0.006 0.000 2.543 189 G HA2 0.472 4.431 3.960 -0.001 0.000 0.290 189 G HA3 0.472 4.431 3.960 -0.001 0.000 0.290 189 G C -1.128 173.764 174.900 -0.013 0.000 1.310 189 G CA -0.376 44.725 45.100 0.001 0.000 1.025 189 G HN 0.241 nan 8.290 nan 0.000 0.502 190 V N 0.255 120.148 119.914 -0.036 0.000 2.569 190 V HA 0.303 4.423 4.120 -0.001 0.000 0.301 190 V C -0.776 175.282 176.094 -0.060 0.000 1.044 190 V CA -0.628 61.603 62.300 -0.114 0.000 0.874 190 V CB 1.533 33.209 31.823 -0.246 0.000 1.002 190 V HN 0.647 nan 8.190 nan 0.000 0.424 191 L N 5.978 127.197 121.223 -0.008 0.000 2.276 191 L HA 0.611 4.951 4.340 -0.001 0.000 0.286 191 L C -0.812 176.146 176.870 0.147 0.000 1.061 191 L CA 0.262 55.168 54.840 0.110 0.000 0.807 191 L CB 0.919 43.082 42.059 0.174 0.000 1.177 191 L HN 0.582 nan 8.230 nan 0.000 0.429 192 L N 5.219 126.498 121.223 0.094 0.000 2.436 192 L HA 0.899 5.239 4.340 -0.001 0.000 0.268 192 L C -0.448 176.205 176.870 -0.362 0.000 0.974 192 L CA -0.020 54.735 54.840 -0.142 0.000 0.826 192 L CB 1.469 43.467 42.059 -0.103 0.000 1.291 192 L HN 0.753 nan 8.230 nan 0.000 0.406 193 G N 2.623 110.832 108.800 -0.985 0.000 2.451 193 G HA2 0.585 4.544 3.960 -0.001 0.000 0.292 193 G HA3 0.585 4.544 3.960 -0.001 0.000 0.292 193 G C -1.880 172.537 174.900 -0.805 0.000 1.427 193 G CA 0.062 44.627 45.100 -0.892 0.000 0.792 193 G HN 0.762 nan 8.290 nan 0.000 0.498 194 A N 0.289 122.941 122.820 -0.281 0.000 2.978 194 A HA 0.716 5.035 4.320 -0.001 0.000 0.341 194 A C 0.214 177.871 177.584 0.121 0.000 1.105 194 A CA 0.173 52.162 52.037 -0.079 0.000 0.819 194 A CB 0.462 19.420 19.000 -0.070 0.000 1.080 194 A HN 1.532 nan 8.150 nan 0.000 0.476 195 S N 2.534 118.424 115.700 0.316 0.000 2.523 195 S HA 0.467 4.937 4.470 -0.001 0.000 0.275 195 S C -1.399 173.422 174.600 0.368 0.000 1.281 195 S CA -1.116 57.315 58.200 0.386 0.000 1.050 195 S CB 0.785 64.290 63.200 0.508 0.000 0.937 195 S HN 0.497 nan 8.310 nan 0.000 0.492 196 P HA 0.170 nan 4.420 nan 0.000 0.261 196 P C -0.282 177.197 177.300 0.299 0.000 1.268 196 P CA 0.178 63.454 63.100 0.294 0.000 0.833 196 P CB 0.066 31.896 31.700 0.217 0.000 1.231 197 E N 0.794 121.124 120.200 0.217 0.000 2.102 197 E HA 0.306 4.656 4.350 -0.001 0.000 0.263 197 E C -0.952 175.631 176.600 -0.029 0.000 0.894 197 E CA -1.091 55.374 56.400 0.110 0.000 0.746 197 E CB 0.567 30.315 29.700 0.079 0.000 1.129 197 E HN -0.115 nan 8.360 nan 0.000 0.416 198 L N 6.146 127.329 121.223 -0.067 0.000 2.361 198 L HA 0.052 4.391 4.340 -0.001 0.000 0.278 198 L C 0.164 176.996 176.870 -0.063 0.000 1.113 198 L CA 0.280 55.002 54.840 -0.197 0.000 0.849 198 L CB 0.877 42.880 42.059 -0.093 0.000 1.155 198 L HN 0.737 nan 8.230 nan 0.000 0.452 199 L N 5.434 126.623 121.223 -0.057 0.000 2.221 199 L HA 0.333 4.673 4.340 -0.001 0.000 0.202 199 L C -0.295 176.575 176.870 -0.000 0.000 1.074 199 L CA 0.688 55.518 54.840 -0.017 0.000 0.795 199 L CB 0.265 42.312 42.059 -0.020 0.000 0.960 199 L HN 0.670 nan 8.230 nan 0.000 0.458 200 L N 0.436 121.684 121.223 0.041 0.000 2.710 200 L HA 0.346 4.686 4.340 -0.001 0.000 0.262 200 L C -0.664 176.251 176.870 0.074 0.000 0.940 200 L CA -0.213 54.668 54.840 0.069 0.000 0.944 200 L CB 1.377 43.454 42.059 0.030 0.000 1.348 200 L HN 0.034 nan 8.230 nan 0.000 0.425 201 R N 4.223 124.759 120.500 0.059 0.000 2.393 201 R HA 0.573 4.912 4.340 -0.001 0.000 0.310 201 R C -1.233 175.074 176.300 0.011 0.000 0.968 201 R CA -0.755 55.335 56.100 -0.017 0.000 0.867 201 R CB 1.464 31.709 30.300 -0.092 0.000 1.124 201 R HN 0.625 nan 8.270 nan 0.000 0.450 202 K N 2.987 123.368 120.400 -0.033 0.000 2.450 202 K HA 0.155 4.475 4.320 -0.001 0.000 0.257 202 K C -1.686 174.912 176.600 -0.004 0.000 0.953 202 K CA -0.653 55.644 56.287 0.017 0.000 0.844 202 K CB 1.297 33.812 32.500 0.025 0.000 1.103 202 K HN 0.454 nan 8.250 nan 0.000 0.429 203 D N 3.875 124.266 120.400 -0.015 0.000 2.446 203 D HA 0.372 5.011 4.640 -0.001 0.000 0.251 203 D C 0.586 176.922 176.300 0.059 0.000 1.137 203 D CA 0.730 54.755 54.000 0.041 0.000 0.890 203 D CB 0.872 41.619 40.800 -0.088 0.000 1.071 203 D HN 0.790 nan 8.370 nan 0.000 0.528 204 G N 4.269 113.115 108.800 0.076 0.000 2.591 204 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.298 204 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.298 204 G C 0.934 175.864 174.900 0.051 0.000 1.195 204 G CA 0.574 45.706 45.100 0.053 0.000 0.989 204 G HN 0.557 nan 8.290 nan 0.000 0.551 205 E N 1.521 121.750 120.200 0.049 0.000 2.285 205 E HA 0.034 4.383 4.350 -0.001 0.000 0.194 205 E C 1.453 178.114 176.600 0.102 0.000 0.997 205 E CA 0.615 57.053 56.400 0.064 0.000 0.845 205 E CB 0.017 29.746 29.700 0.047 0.000 0.782 205 E HN 0.619 nan 8.360 nan 0.000 0.491 206 R N 0.439 120.982 120.500 0.071 0.000 2.441 206 R HA 0.388 4.727 4.340 -0.001 0.000 0.284 206 R C -0.473 175.898 176.300 0.120 0.000 1.070 206 R CA -0.332 55.797 56.100 0.048 0.000 1.047 206 R CB 0.503 30.795 30.300 -0.014 0.000 1.016 206 R HN 0.117 nan 8.270 nan 0.000 0.477 207 F N -0.535 119.407 119.950 -0.015 0.000 2.599 207 F HA 0.712 5.239 4.527 -0.001 0.000 0.311 207 F C -0.973 174.831 175.800 0.006 0.000 1.076 207 F CA -0.888 57.099 58.000 -0.021 0.000 0.937 207 F CB 1.809 40.803 39.000 -0.011 0.000 1.282 207 F HN 0.476 nan 8.300 nan 0.000 0.460 208 S N 1.319 117.114 115.700 0.158 0.000 2.588 208 S HA 0.805 5.275 4.470 -0.001 0.000 0.275 208 S C -1.326 173.395 174.600 0.203 0.000 1.130 208 S CA -0.675 57.589 58.200 0.106 0.000 0.855 208 S CB 1.514 64.732 63.200 0.030 0.000 1.116 208 S HN 1.103 nan 8.310 nan 0.000 0.472 209 S N 0.507 116.319 115.700 0.186 0.000 2.547 209 S HA 0.699 5.168 4.470 -0.001 0.000 0.281 209 S C -1.351 173.311 174.600 0.104 0.000 1.118 209 S CA -0.839 57.413 58.200 0.087 0.000 0.947 209 S CB 0.650 63.829 63.200 -0.034 0.000 1.053 209 S HN 0.722 nan 8.310 nan 0.000 0.482 210 I N 5.324 125.941 120.570 0.078 0.000 2.782 210 I HA 0.309 4.479 4.170 -0.001 0.000 0.279 210 I C -2.375 173.803 176.117 0.102 0.000 1.247 210 I CA -1.973 59.411 61.300 0.141 0.000 1.062 210 I CB 1.586 39.689 38.000 0.171 0.000 1.421 210 I HN 0.383 nan 8.210 nan 0.000 0.558 211 P HA 0.171 nan 4.420 nan 0.000 0.268 211 P C -0.614 176.746 177.300 0.099 0.000 1.205 211 P CA 0.271 63.374 63.100 0.005 0.000 0.771 211 P CB 1.170 32.800 31.700 -0.117 0.000 0.858 212 L N 1.634 122.890 121.223 0.055 0.000 2.313 212 L HA 0.893 5.232 4.340 -0.001 0.000 0.268 212 L C 0.097 176.988 176.870 0.035 0.000 1.010 212 L CA -1.053 53.845 54.840 0.097 0.000 0.814 212 L CB 1.808 43.844 42.059 -0.039 0.000 1.304 212 L HN 0.458 nan 8.230 nan 0.000 0.441 213 A N 1.046 123.961 122.820 0.159 0.000 2.372 213 A HA 0.569 4.888 4.320 -0.001 0.000 0.309 213 A C -0.437 177.313 177.584 0.277 0.000 1.013 213 A CA 0.105 52.222 52.037 0.134 0.000 0.978 213 A CB 0.396 19.384 19.000 -0.020 0.000 1.174 213 A HN 1.310 nan 8.150 nan 0.000 0.357 214 G N 0.994 109.936 108.800 0.237 0.000 3.233 214 G HA2 0.562 4.521 3.960 -0.001 0.000 0.686 214 G HA3 0.562 4.521 3.960 -0.001 0.000 0.686 214 G C -0.630 174.466 174.900 0.327 0.000 1.153 214 G CA -0.113 45.133 45.100 0.243 0.000 0.853 214 G HN 1.997 nan 8.290 nan 0.000 0.582 215 S N -0.241 115.611 115.700 0.253 0.000 2.556 215 S HA 1.022 5.492 4.470 -0.001 0.000 0.271 215 S C -0.016 174.659 174.600 0.125 0.000 1.135 215 S CA -0.143 58.183 58.200 0.210 0.000 0.858 215 S CB 2.116 65.454 63.200 0.230 0.000 1.114 215 S HN 2.340 nan 8.310 nan 0.000 0.468 216 A N 1.515 124.399 122.820 0.108 0.000 2.488 216 A HA 0.752 5.072 4.320 -0.001 0.000 0.298 216 A C -0.540 177.138 177.584 0.158 0.000 1.044 216 A CA -0.796 51.316 52.037 0.124 0.000 0.693 216 A CB 1.211 20.275 19.000 0.107 0.000 1.272 216 A HN 0.791 nan 8.150 nan 0.000 0.402 217 R N 1.404 121.971 120.500 0.113 0.000 2.640 217 R HA 0.162 4.501 4.340 -0.001 0.000 0.270 217 R C -0.062 176.351 176.300 0.189 0.000 1.024 217 R CA 0.166 56.322 56.100 0.094 0.000 1.085 217 R CB 0.393 30.730 30.300 0.062 0.000 0.963 217 R HN 0.780 nan 8.270 nan 0.000 0.426 218 R N 2.413 122.971 120.500 0.098 0.000 2.560 218 R HA 0.148 4.488 4.340 -0.001 0.000 0.270 218 R C -0.357 176.004 176.300 0.102 0.000 1.074 218 R CA -0.606 55.557 56.100 0.106 0.000 1.140 218 R CB 0.903 31.106 30.300 -0.163 0.000 1.073 218 R HN 0.548 nan 8.270 nan 0.000 0.527 219 Q N 1.130 121.013 119.800 0.140 0.000 2.345 219 Q HA 0.244 4.583 4.340 -0.001 0.000 0.268 219 Q C -1.794 174.243 176.000 0.061 0.000 1.054 219 Q CA -2.094 53.765 55.803 0.093 0.000 0.835 219 Q CB 1.445 30.244 28.738 0.102 0.000 1.339 219 Q HN 0.305 nan 8.270 nan 0.000 0.447 220 P HA -0.143 nan 4.420 nan 0.000 0.216 220 P C -0.179 177.139 177.300 0.031 0.000 1.150 220 P CA 1.485 64.601 63.100 0.027 0.000 0.843 220 P CB 0.375 32.089 31.700 0.024 0.000 0.787 221 D N -1.479 118.945 120.400 0.041 0.000 2.375 221 D HA 0.098 4.738 4.640 -0.001 0.000 0.247 221 D C 0.266 176.600 176.300 0.057 0.000 1.061 221 D CA -0.531 53.494 54.000 0.041 0.000 0.834 221 D CB 0.911 41.730 40.800 0.032 0.000 1.247 221 D HN -0.054 nan 8.370 nan 0.000 0.489 222 E N 1.620 121.853 120.200 0.055 0.000 2.482 222 E HA -0.004 4.345 4.350 -0.001 0.000 0.200 222 E C 0.869 177.512 176.600 0.070 0.000 1.147 222 E CA 0.240 56.685 56.400 0.075 0.000 0.912 222 E CB -0.049 29.689 29.700 0.063 0.000 0.938 222 E HN 0.171 nan 8.360 nan 0.000 0.519 223 V N 0.019 119.965 119.914 0.055 0.000 2.599 223 V HA -0.026 4.094 4.120 -0.001 0.000 0.237 223 V C 1.776 177.893 176.094 0.039 0.000 1.081 223 V CA 0.611 62.935 62.300 0.040 0.000 1.107 223 V CB -0.240 31.599 31.823 0.027 0.000 0.808 223 V HN 0.318 nan 8.190 nan 0.000 0.486 224 L N 0.463 121.712 121.223 0.043 0.000 2.551 224 L HA -0.038 4.301 4.340 -0.001 0.000 0.228 224 L C 1.910 178.821 176.870 0.068 0.000 1.153 224 L CA 1.336 56.199 54.840 0.039 0.000 0.851 224 L CB -0.540 41.541 42.059 0.037 0.000 0.959 224 L HN 0.407 nan 8.230 nan 0.000 0.451 225 D N 0.465 120.935 120.400 0.117 0.000 2.197 225 D HA -0.135 4.504 4.640 -0.001 0.000 0.212 225 D C 2.214 178.663 176.300 0.249 0.000 0.963 225 D CA 0.523 54.670 54.000 0.245 0.000 0.864 225 D CB 0.216 41.169 40.800 0.254 0.000 1.009 225 D HN -0.123 nan 8.370 nan 0.000 0.479 226 R N 0.373 120.968 120.500 0.159 0.000 2.328 226 R HA -0.010 4.330 4.340 -0.001 0.000 0.207 226 R C 1.477 177.707 176.300 -0.117 0.000 1.056 226 R CA 1.133 57.280 56.100 0.079 0.000 1.016 226 R CB -0.254 30.098 30.300 0.088 0.000 0.872 226 R HN 0.547 nan 8.270 nan 0.000 0.471 227 E N -2.619 117.510 120.200 -0.118 0.000 2.372 227 E HA 0.161 4.510 4.350 -0.001 0.000 0.201 227 E C 1.676 178.131 176.600 -0.242 0.000 0.938 227 E CA 0.462 56.764 56.400 -0.163 0.000 0.944 227 E CB -0.272 29.379 29.700 -0.082 0.000 0.937 227 E HN 0.137 nan 8.360 nan 0.000 0.495 228 A N 2.021 124.705 122.820 -0.227 0.000 1.948 228 A HA -0.108 4.212 4.320 -0.001 0.000 0.220 228 A C 2.396 179.614 177.584 -0.608 0.000 1.177 228 A CA 1.976 53.855 52.037 -0.263 0.000 0.636 228 A CB -1.259 17.705 19.000 -0.060 0.000 0.815 228 A HN 0.408 nan 8.150 nan 0.000 0.449 229 G N -0.374 107.683 108.800 -1.239 0.000 2.394 229 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.215 229 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.215 229 G C 1.383 175.853 174.900 -0.716 0.000 1.165 229 G CA 0.871 44.999 45.100 -1.620 0.000 0.784 229 G HN 0.521 nan 8.290 nan 0.000 0.535 230 N N 0.553 118.944 118.700 -0.515 0.000 2.094 230 N HA -0.115 4.624 4.740 -0.001 0.000 0.191 230 N C 2.119 177.507 175.510 -0.203 0.000 1.023 230 N CA 1.012 53.897 53.050 -0.274 0.000 0.857 230 N CB -0.361 38.010 38.487 -0.193 0.000 1.013 230 N HN 0.362 nan 8.380 nan 0.000 0.426 231 R N 0.350 120.725 120.500 -0.208 0.000 2.096 231 R HA -0.056 4.284 4.340 -0.001 0.000 0.235 231 R C 2.059 178.290 176.300 -0.115 0.000 1.127 231 R CA 0.742 56.761 56.100 -0.134 0.000 0.968 231 R CB -0.313 29.919 30.300 -0.115 0.000 0.861 231 R HN 0.111 nan 8.270 nan 0.000 0.440 232 L N 0.689 121.815 121.223 -0.162 0.000 2.046 232 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 232 L C 1.886 178.719 176.870 -0.062 0.000 1.077 232 L CA 1.507 56.295 54.840 -0.088 0.000 0.747 232 L CB -0.594 41.415 42.059 -0.083 0.000 0.896 232 L HN 0.219 nan 8.230 nan 0.000 0.432 233 L N -0.379 120.785 121.223 -0.099 0.000 2.079 233 L HA -0.120 4.219 4.340 -0.001 0.000 0.210 233 L C 2.491 179.332 176.870 -0.047 0.000 1.081 233 L CA 2.006 56.803 54.840 -0.072 0.000 0.752 233 L CB -1.211 40.795 42.059 -0.090 0.000 0.896 233 L HN 0.375 nan 8.230 nan 0.000 0.433 234 A N -1.978 120.812 122.820 -0.049 0.000 1.903 234 A HA -0.033 4.286 4.320 -0.001 0.000 0.213 234 A C 1.507 179.086 177.584 -0.009 0.000 1.185 234 A CA 0.760 52.779 52.037 -0.029 0.000 0.628 234 A CB -0.713 18.266 19.000 -0.035 0.000 0.830 234 A HN 0.366 nan 8.150 nan 0.000 0.446 235 S N 0.460 116.156 115.700 -0.007 0.000 2.784 235 S HA -0.071 4.399 4.470 -0.001 0.000 0.322 235 S C 0.937 175.559 174.600 0.038 0.000 1.234 235 S CA 0.183 58.392 58.200 0.016 0.000 1.064 235 S CB 0.154 63.367 63.200 0.023 0.000 0.787 235 S HN 0.418 nan 8.310 nan 0.000 0.506 236 E N 3.688 123.913 120.200 0.042 0.000 2.170 236 E HA -0.032 4.317 4.350 -0.001 0.000 0.191 236 E C 1.859 178.519 176.600 0.100 0.000 0.981 236 E CA 0.432 56.868 56.400 0.061 0.000 0.830 236 E CB -0.139 29.584 29.700 0.039 0.000 0.775 236 E HN 0.667 nan 8.360 nan 0.000 0.470 237 K N 1.550 122.004 120.400 0.090 0.000 2.009 237 K HA -0.160 4.160 4.320 -0.001 0.000 0.210 237 K C 1.316 178.003 176.600 0.145 0.000 1.049 237 K CA 1.480 57.839 56.287 0.119 0.000 0.929 237 K CB -0.247 32.308 32.500 0.091 0.000 0.714 237 K HN 0.072 nan 8.250 nan 0.000 0.440 238 D N 0.251 120.722 120.400 0.118 0.000 2.144 238 D HA -0.115 4.524 4.640 -0.001 0.000 0.200 238 D C 2.070 178.457 176.300 0.145 0.000 0.978 238 D CA 0.606 54.683 54.000 0.128 0.000 0.833 238 D CB 0.026 40.894 40.800 0.113 0.000 0.961 238 D HN 0.150 nan 8.370 nan 0.000 0.470 239 R N 0.301 120.875 120.500 0.124 0.000 2.096 239 R HA -0.122 4.217 4.340 -0.001 0.000 0.235 239 R C 2.177 178.576 176.300 0.166 0.000 1.127 239 R CA 0.895 57.070 56.100 0.125 0.000 0.968 239 R CB -0.963 29.386 30.300 0.081 0.000 0.861 239 R HN 0.414 nan 8.270 nan 0.000 0.440 240 H N 0.990 120.108 119.070 0.080 0.000 2.363 240 H HA -0.028 4.528 4.556 -0.001 0.000 0.301 240 H C 1.984 177.359 175.328 0.078 0.000 1.074 240 H CA 1.891 57.981 56.048 0.070 0.000 1.354 240 H CB 0.009 29.804 29.762 0.055 0.000 1.397 240 H HN 0.271 nan 8.280 nan 0.000 0.516 241 E N -0.716 119.479 120.200 -0.009 0.000 2.048 241 E HA -0.372 3.978 4.350 -0.001 0.000 0.202 241 E C 2.114 178.683 176.600 -0.051 0.000 1.021 241 E CA 1.789 58.163 56.400 -0.043 0.000 0.825 241 E CB -0.310 29.436 29.700 0.076 0.000 0.756 241 E HN 0.703 nan 8.360 nan 0.000 0.454 242 H N -0.270 118.787 119.070 -0.022 0.000 2.319 242 H HA -0.157 4.398 4.556 -0.001 0.000 0.299 242 H C 2.042 177.351 175.328 -0.032 0.000 1.092 242 H CA 2.121 58.168 56.048 -0.002 0.000 1.302 242 H CB -0.009 29.777 29.762 0.041 0.000 1.373 242 H HN 0.151 nan 8.280 nan 0.000 0.497 243 E N 0.036 120.278 120.200 0.069 0.000 2.110 243 E HA -0.138 4.211 4.350 -0.001 0.000 0.193 243 E C 2.020 178.544 176.600 -0.128 0.000 0.988 243 E CA 0.840 57.247 56.400 0.012 0.000 0.804 243 E CB -0.482 29.244 29.700 0.044 0.000 0.745 243 E HN 0.397 nan 8.360 nan 0.000 0.458 244 L N -0.122 120.959 121.223 -0.237 0.000 2.042 244 L HA -0.140 4.199 4.340 -0.001 0.000 0.210 244 L C 2.396 179.082 176.870 -0.307 0.000 1.076 244 L CA 1.245 55.901 54.840 -0.308 0.000 0.749 244 L CB -0.906 40.974 42.059 -0.299 0.000 0.893 244 L HN 0.146 nan 8.230 nan 0.000 0.432 245 V N -0.757 119.015 119.914 -0.237 0.000 2.295 245 V HA -0.289 3.830 4.120 -0.001 0.000 0.246 245 V C 2.625 178.617 176.094 -0.170 0.000 1.049 245 V CA 2.108 64.277 62.300 -0.219 0.000 1.024 245 V CB -1.203 30.456 31.823 -0.272 0.000 0.648 245 V HN 0.691 nan 8.190 nan 0.000 0.447 246 T N -1.623 112.870 114.554 -0.101 0.000 2.812 246 T HA -0.256 4.094 4.350 -0.001 0.000 0.264 246 T C 1.896 176.654 174.700 0.098 0.000 1.042 246 T CA 1.481 63.656 62.100 0.125 0.000 1.140 246 T CB -0.370 68.620 68.868 0.203 0.000 0.870 246 T HN 0.485 nan 8.240 nan 0.000 0.445 247 Q N 1.971 121.742 119.800 -0.048 0.000 2.084 247 Q HA -0.084 4.256 4.340 -0.001 0.000 0.202 247 Q C 2.477 178.407 176.000 -0.116 0.000 0.978 247 Q CA 2.137 57.890 55.803 -0.084 0.000 0.844 247 Q CB -0.832 27.819 28.738 -0.144 0.000 0.898 247 Q HN 0.641 nan 8.270 nan 0.000 0.426 248 A N 1.856 124.530 122.820 -0.242 0.000 1.883 248 A HA -0.211 4.108 4.320 -0.001 0.000 0.217 248 A C 2.283 179.833 177.584 -0.057 0.000 1.186 248 A CA 2.393 54.307 52.037 -0.206 0.000 0.624 248 A CB -0.731 18.111 19.000 -0.265 0.000 0.822 248 A HN 0.634 nan 8.150 nan 0.000 0.444 249 M N -1.383 118.190 119.600 -0.045 0.000 2.349 249 M HA 0.013 4.493 4.480 -0.001 0.000 0.266 249 M C 1.846 178.221 176.300 0.124 0.000 1.076 249 M CA 1.491 56.772 55.300 -0.031 0.000 1.126 249 M CB -0.506 31.952 32.600 -0.237 0.000 1.392 249 M HN 0.194 nan 8.290 nan 0.000 0.440 250 K N 1.153 121.686 120.400 0.223 0.000 2.001 250 K HA -0.167 4.152 4.320 -0.001 0.000 0.214 250 K C 2.072 178.736 176.600 0.107 0.000 1.050 250 K CA 1.966 58.370 56.287 0.195 0.000 0.934 250 K CB -0.212 32.348 32.500 0.100 0.000 0.718 250 K HN 0.354 nan 8.250 nan 0.000 0.443 251 E N 0.545 120.783 120.200 0.063 0.000 2.058 251 E HA -0.168 4.181 4.350 -0.001 0.000 0.194 251 E C 2.199 178.827 176.600 0.046 0.000 0.997 251 E CA 1.098 57.528 56.400 0.050 0.000 0.801 251 E CB -0.654 29.074 29.700 0.047 0.000 0.746 251 E HN 0.109 nan 8.360 nan 0.000 0.450 252 V N 1.311 121.247 119.914 0.037 0.000 2.490 252 V HA -0.186 3.933 4.120 -0.001 0.000 0.250 252 V C 2.391 178.494 176.094 0.015 0.000 1.061 252 V CA 1.257 63.565 62.300 0.013 0.000 1.064 252 V CB -0.416 31.395 31.823 -0.019 0.000 0.670 252 V HN 0.166 nan 8.190 nan 0.000 0.461 253 L N -1.238 120.018 121.223 0.055 0.000 2.446 253 L HA 0.056 4.396 4.340 -0.001 0.000 0.219 253 L C 2.575 179.502 176.870 0.094 0.000 1.116 253 L CA 0.443 55.333 54.840 0.084 0.000 0.844 253 L CB -0.380 41.793 42.059 0.191 0.000 0.970 253 L HN 0.208 nan 8.230 nan 0.000 0.457 254 R N 0.754 121.300 120.500 0.077 0.000 2.143 254 R HA -0.253 4.087 4.340 -0.001 0.000 0.239 254 R C 1.151 177.483 176.300 0.053 0.000 1.126 254 R CA 1.967 58.105 56.100 0.063 0.000 0.927 254 R CB -0.190 30.139 30.300 0.047 0.000 0.860 254 R HN 0.275 nan 8.270 nan 0.000 0.433 255 E N -0.360 119.861 120.200 0.036 0.000 2.370 255 E HA 0.050 4.399 4.350 -0.001 0.000 0.194 255 E C 0.655 177.267 176.600 0.019 0.000 1.057 255 E CA -0.150 56.266 56.400 0.026 0.000 1.011 255 E CB 0.511 30.222 29.700 0.018 0.000 1.132 255 E HN 0.097 nan 8.360 nan 0.000 0.450 256 R N -0.896 119.619 120.500 0.025 0.000 2.469 256 R HA 0.209 4.549 4.340 -0.001 0.000 0.250 256 R C -0.155 176.166 176.300 0.035 0.000 0.909 256 R CA 0.188 56.288 56.100 0.001 0.000 1.050 256 R CB 1.039 31.311 30.300 -0.046 0.000 1.256 256 R HN -0.049 nan 8.270 nan 0.000 0.550 257 S N -0.095 115.667 115.700 0.104 0.000 2.473 257 S HA 0.364 4.834 4.470 -0.001 0.000 0.307 257 S C 0.853 175.532 174.600 0.131 0.000 1.094 257 S CA -0.641 57.677 58.200 0.197 0.000 1.070 257 S CB 2.514 65.912 63.200 0.328 0.000 1.019 257 S HN -0.090 nan 8.310 nan 0.000 0.480 258 S N 2.061 117.834 115.700 0.123 0.000 2.378 258 S HA -0.141 4.328 4.470 -0.001 0.000 0.221 258 S C 0.932 175.572 174.600 0.066 0.000 1.037 258 S CA 1.404 59.651 58.200 0.078 0.000 1.069 258 S CB -0.382 62.859 63.200 0.067 0.000 1.006 258 S HN 0.930 nan 8.310 nan 0.000 0.423 259 E N -0.042 120.196 120.200 0.064 0.000 2.378 259 E HA 0.708 5.058 4.350 -0.001 0.000 0.265 259 E C -1.400 175.220 176.600 0.034 0.000 0.932 259 E CA -0.938 55.486 56.400 0.040 0.000 0.795 259 E CB 1.811 31.520 29.700 0.015 0.000 1.296 259 E HN 0.188 nan 8.360 nan 0.000 0.438 260 L N 1.079 122.316 121.223 0.024 0.000 2.676 260 L HA 0.268 4.607 4.340 -0.001 0.000 0.262 260 L C -1.740 175.136 176.870 0.010 0.000 0.932 260 L CA -0.245 54.601 54.840 0.010 0.000 0.932 260 L CB 1.898 43.998 42.059 0.069 0.000 1.355 260 L HN 0.775 nan 8.230 nan 0.000 0.421 261 H N 5.120 124.116 119.070 -0.124 0.000 2.481 261 H HA 0.796 5.351 4.556 -0.001 0.000 0.333 261 H C -1.813 173.370 175.328 -0.241 0.000 1.066 261 H CA -0.635 55.327 56.048 -0.145 0.000 1.209 261 H CB 1.831 31.524 29.762 -0.115 0.000 1.445 261 H HN 0.469 nan 8.280 nan 0.000 0.488 262 V N 7.003 126.398 119.914 -0.866 0.000 2.524 262 V HA 0.214 4.334 4.120 -0.001 0.000 0.297 262 V C -2.252 173.393 176.094 -0.749 0.000 1.035 262 V CA -1.549 60.187 62.300 -0.940 0.000 0.867 262 V CB 1.365 32.633 31.823 -0.926 0.000 1.004 262 V HN 0.781 nan 8.190 nan 0.000 0.426 263 P HA 0.120 nan 4.420 nan 0.000 0.266 263 P C 0.849 178.031 177.300 -0.196 0.000 1.195 263 P CA 0.102 63.032 63.100 -0.283 0.000 0.768 263 P CB 0.642 32.255 31.700 -0.145 0.000 0.838 264 S N -0.671 114.963 115.700 -0.110 0.000 2.528 264 S HA 0.101 4.570 4.470 -0.001 0.000 0.219 264 S C 0.564 175.146 174.600 -0.030 0.000 0.985 264 S CA 0.044 58.204 58.200 -0.067 0.000 0.914 264 S CB -0.084 63.089 63.200 -0.045 0.000 0.776 264 S HN 0.342 nan 8.310 nan 0.000 0.526 265 S N 3.290 118.970 115.700 -0.033 0.000 2.500 265 S HA 0.626 5.095 4.470 -0.001 0.000 0.301 265 S C -2.628 171.941 174.600 -0.051 0.000 1.092 265 S CA -1.191 56.990 58.200 -0.031 0.000 1.030 265 S CB 1.818 65.003 63.200 -0.024 0.000 1.031 265 S HN 0.268 nan 8.310 nan 0.000 0.483 266 P HA 0.243 nan 4.420 nan 0.000 0.274 266 P C -1.209 176.037 177.300 -0.088 0.000 1.256 266 P CA -0.530 62.458 63.100 -0.186 0.000 0.795 266 P CB 0.445 31.808 31.700 -0.561 0.000 1.038 267 Q N -0.308 119.468 119.800 -0.040 0.000 2.484 267 Q HA 0.591 4.931 4.340 -0.001 0.000 0.285 267 Q C -0.890 175.151 176.000 0.069 0.000 1.097 267 Q CA -1.178 54.637 55.803 0.021 0.000 0.802 267 Q CB 1.179 29.947 28.738 0.050 0.000 1.444 267 Q HN 0.266 nan 8.270 nan 0.000 0.429 268 L N 2.278 123.570 121.223 0.115 0.000 2.349 268 L HA 0.422 4.761 4.340 -0.001 0.000 0.275 268 L C -0.159 176.866 176.870 0.259 0.000 1.115 268 L CA -0.567 54.411 54.840 0.230 0.000 0.820 268 L CB 0.449 42.680 42.059 0.287 0.000 1.135 268 L HN 0.663 nan 8.230 nan 0.000 0.445 269 I N -0.400 120.335 120.570 0.276 0.000 3.042 269 I HA 0.730 4.899 4.170 -0.001 0.000 0.310 269 I C -0.306 175.861 176.117 0.084 0.000 1.117 269 I CA -0.274 61.134 61.300 0.180 0.000 1.003 269 I CB 2.341 40.445 38.000 0.173 0.000 1.228 269 I HN 0.386 nan 8.210 nan 0.000 0.443 270 T N 0.903 115.422 114.554 -0.059 0.000 2.912 270 T HA 0.736 5.086 4.350 -0.001 0.000 0.288 270 T C -0.220 174.399 174.700 -0.136 0.000 1.030 270 T CA -0.677 61.267 62.100 -0.261 0.000 1.020 270 T CB 1.632 70.257 68.868 -0.404 0.000 1.056 270 T HN 0.781 nan 8.240 nan 0.000 0.480 271 T N 1.939 116.376 114.554 -0.195 0.000 2.916 271 T HA 0.464 4.813 4.350 -0.001 0.000 0.292 271 T C -1.908 172.691 174.700 -0.169 0.000 1.064 271 T CA -1.699 60.337 62.100 -0.107 0.000 1.011 271 T CB 1.704 70.549 68.868 -0.037 0.000 1.152 271 T HN 0.218 nan 8.240 nan 0.000 0.510 272 P HA 0.026 nan 4.420 nan 0.000 0.226 272 P C 0.950 178.177 177.300 -0.122 0.000 1.146 272 P CA 0.989 64.019 63.100 -0.117 0.000 0.773 272 P CB 0.260 31.913 31.700 -0.078 0.000 0.772 273 T N -1.981 112.500 114.554 -0.121 0.000 3.026 273 T HA 0.269 4.618 4.350 -0.001 0.000 0.245 273 T C 0.421 175.039 174.700 -0.137 0.000 1.004 273 T CA 0.335 62.376 62.100 -0.099 0.000 1.069 273 T CB 0.115 68.946 68.868 -0.060 0.000 1.005 273 T HN -0.099 nan 8.240 nan 0.000 0.472 274 L N 0.205 121.297 121.223 -0.219 0.000 2.409 274 L HA 0.522 4.862 4.340 -0.001 0.000 0.262 274 L C -1.600 175.018 176.870 -0.421 0.000 0.992 274 L CA -1.088 53.568 54.840 -0.307 0.000 0.817 274 L CB 2.510 44.295 42.059 -0.456 0.000 1.350 274 L HN 0.245 nan 8.230 nan 0.000 0.411 275 W N 1.876 123.020 121.300 -0.261 0.000 2.315 275 W HA 0.441 5.101 4.660 -0.001 0.000 0.316 275 W C 0.208 176.555 176.519 -0.286 0.000 1.211 275 W CA 0.070 57.308 57.345 -0.177 0.000 1.201 275 W CB 0.658 30.073 29.460 -0.077 0.000 1.184 275 W HN 0.288 nan 8.180 nan 0.000 0.544 276 H N 2.302 121.540 119.070 0.280 0.000 2.797 276 H HA 0.480 5.035 4.556 -0.001 0.000 0.372 276 H C -0.680 174.767 175.328 0.199 0.000 1.168 276 H CA -1.099 55.077 56.048 0.213 0.000 1.163 276 H CB 1.576 31.440 29.762 0.170 0.000 1.778 276 H HN 0.135 nan 8.280 nan 0.000 0.551 277 L N 1.275 122.686 121.223 0.313 0.000 2.292 277 L HA 0.584 4.924 4.340 -0.001 0.000 0.284 277 L C 0.323 177.308 176.870 0.192 0.000 1.065 277 L CA -0.647 54.269 54.840 0.127 0.000 0.806 277 L CB 1.141 43.177 42.059 -0.039 0.000 1.175 277 L HN 0.536 nan 8.230 nan 0.000 0.431 278 A N 2.089 124.980 122.820 0.118 0.000 2.380 278 A HA 0.853 5.173 4.320 -0.001 0.000 0.315 278 A C -0.584 177.131 177.584 0.217 0.000 1.101 278 A CA -0.465 51.726 52.037 0.256 0.000 0.771 278 A CB 1.761 20.887 19.000 0.210 0.000 1.287 278 A HN 0.569 nan 8.150 nan 0.000 0.436 279 T N 3.796 118.575 114.554 0.374 0.000 2.930 279 T HA 0.561 4.910 4.350 -0.001 0.000 0.313 279 T C -2.983 171.930 174.700 0.355 0.000 1.019 279 T CA -0.892 61.407 62.100 0.332 0.000 1.004 279 T CB 1.425 70.586 68.868 0.488 0.000 0.987 279 T HN 0.452 nan 8.240 nan 0.000 0.456 280 P HA 0.466 nan 4.420 nan 0.000 0.281 280 P C -0.985 176.443 177.300 0.213 0.000 1.252 280 P CA -0.568 62.675 63.100 0.238 0.000 0.778 280 P CB 0.347 32.133 31.700 0.144 0.000 0.895 281 F N 1.791 121.741 119.950 -0.000 0.000 2.436 281 F HA 0.405 4.932 4.527 -0.000 0.000 0.340 281 F C 0.926 176.668 175.800 -0.096 0.000 1.113 281 F CA -0.356 57.619 58.000 -0.042 0.000 1.022 281 F CB 1.455 40.467 39.000 0.019 0.000 1.128 281 F HN 0.254 nan 8.300 nan 0.000 0.466 282 E N 1.322 121.502 120.200 -0.034 0.000 2.272 282 E HA 0.749 5.098 4.350 -0.001 0.000 0.269 282 E C -0.358 176.025 176.600 -0.362 0.000 0.877 282 E CA -0.958 55.331 56.400 -0.184 0.000 0.755 282 E CB 2.603 32.273 29.700 -0.049 0.000 1.192 282 E HN 0.796 nan 8.360 nan 0.000 0.422 283 G N 1.652 110.005 108.800 -0.745 0.000 2.600 283 G HA2 0.473 4.432 3.960 -0.001 0.000 0.293 283 G HA3 0.473 4.432 3.960 -0.001 0.000 0.293 283 G C -1.450 173.142 174.900 -0.512 0.000 1.408 283 G CA -0.744 43.947 45.100 -0.683 0.000 0.782 283 G HN 0.233 nan 8.290 nan 0.000 0.482 284 K N -0.570 119.783 120.400 -0.078 0.000 2.318 284 K HA 0.772 5.091 4.320 -0.001 0.000 0.249 284 K C -0.481 176.325 176.600 0.342 0.000 0.942 284 K CA -0.603 55.766 56.287 0.137 0.000 0.808 284 K CB 2.485 35.023 32.500 0.062 0.000 1.189 284 K HN 0.765 nan 8.250 nan 0.000 0.428 285 A N 1.639 124.651 122.820 0.319 0.000 2.430 285 A HA 0.465 4.785 4.320 -0.001 0.000 0.300 285 A C -0.739 176.898 177.584 0.088 0.000 1.124 285 A CA -1.029 51.118 52.037 0.185 0.000 0.766 285 A CB 0.594 19.626 19.000 0.054 0.000 1.328 285 A HN 0.938 nan 8.150 nan 0.000 0.424 286 N N 0.197 118.925 118.700 0.046 0.000 2.297 286 N HA 0.155 4.894 4.740 -0.001 0.000 0.232 286 N C 0.576 176.094 175.510 0.013 0.000 1.311 286 N CA 0.134 53.199 53.050 0.026 0.000 0.897 286 N CB 0.345 38.841 38.487 0.014 0.000 1.137 286 N HN 0.322 nan 8.380 nan 0.000 0.449 287 S N -0.806 114.900 115.700 0.009 0.000 2.561 287 S HA -0.054 4.416 4.470 -0.001 0.000 0.225 287 S C 1.210 175.806 174.600 -0.007 0.000 0.977 287 S CA 0.283 58.483 58.200 0.001 0.000 0.926 287 S CB -0.140 63.061 63.200 0.001 0.000 0.769 287 S HN 0.492 nan 8.310 nan 0.000 0.533 288 Q N 0.678 120.474 119.800 -0.007 0.000 2.515 288 Q HA 0.164 4.503 4.340 -0.001 0.000 0.212 288 Q C 0.211 176.199 176.000 -0.020 0.000 0.970 288 Q CA 0.677 56.473 55.803 -0.011 0.000 0.941 288 Q CB 0.073 28.806 28.738 -0.009 0.000 0.998 288 Q HN 0.487 nan 8.270 nan 0.000 0.518 289 E N 0.827 121.011 120.200 -0.026 0.000 2.256 289 E HA 0.258 4.608 4.350 -0.001 0.000 0.267 289 E C -0.859 175.715 176.600 -0.043 0.000 0.892 289 E CA -0.635 55.737 56.400 -0.047 0.000 0.775 289 E CB 0.996 30.653 29.700 -0.072 0.000 1.207 289 E HN 0.122 nan 8.360 nan 0.000 0.420 290 N N 1.000 119.669 118.700 -0.051 0.000 3.038 290 N HA 0.466 5.205 4.740 -0.001 0.000 0.307 290 N C 0.252 175.728 175.510 -0.056 0.000 1.441 290 N CA -0.158 52.868 53.050 -0.040 0.000 0.772 290 N CB 0.260 38.735 38.487 -0.019 0.000 1.651 290 N HN 0.358 nan 8.380 nan 0.000 0.593 291 A N -0.112 122.695 122.820 -0.022 0.000 1.917 291 A HA -0.072 4.247 4.320 -0.001 0.000 0.219 291 A C 1.961 179.506 177.584 -0.066 0.000 1.182 291 A CA 1.377 53.416 52.037 0.004 0.000 0.633 291 A CB -1.131 17.916 19.000 0.078 0.000 0.819 291 A HN 0.588 nan 8.150 nan 0.000 0.448 292 L N -0.475 120.707 121.223 -0.069 0.000 2.095 292 L HA -0.123 4.216 4.340 -0.001 0.000 0.204 292 L C 3.070 179.844 176.870 -0.160 0.000 1.080 292 L CA 1.641 56.358 54.840 -0.206 0.000 0.759 292 L CB -0.731 41.304 42.059 -0.039 0.000 0.914 292 L HN 0.665 nan 8.230 nan 0.000 0.439 293 T N -1.638 112.871 114.554 -0.075 0.000 2.699 293 T HA -0.251 4.098 4.350 -0.001 0.000 0.268 293 T C 1.797 176.404 174.700 -0.156 0.000 1.036 293 T CA 1.377 63.425 62.100 -0.086 0.000 1.147 293 T CB -0.581 68.252 68.868 -0.058 0.000 0.862 293 T HN 0.223 nan 8.240 nan 0.000 0.446 294 L N 0.718 121.824 121.223 -0.196 0.000 2.095 294 L HA 0.164 4.504 4.340 -0.001 0.000 0.204 294 L C 3.368 180.089 176.870 -0.248 0.000 1.080 294 L CA 1.012 55.694 54.840 -0.263 0.000 0.759 294 L CB -0.758 41.080 42.059 -0.369 0.000 0.914 294 L HN 0.386 nan 8.230 nan 0.000 0.439 295 A N -0.643 122.020 122.820 -0.263 0.000 1.877 295 A HA -0.235 4.085 4.320 -0.001 0.000 0.216 295 A C 2.405 179.819 177.584 -0.283 0.000 1.186 295 A CA 1.863 53.722 52.037 -0.296 0.000 0.620 295 A CB -1.206 17.477 19.000 -0.528 0.000 0.822 295 A HN 0.533 nan 8.150 nan 0.000 0.443 296 C N -1.297 117.816 119.300 -0.313 0.000 2.413 296 C HA -0.092 4.367 4.460 -0.001 0.000 0.276 296 C C 2.542 177.401 174.990 -0.218 0.000 1.248 296 C CA 1.120 59.970 59.018 -0.281 0.000 1.742 296 C CB -1.551 26.011 27.740 -0.297 0.000 2.017 296 C HN 0.685 nan 8.230 nan 0.000 0.481 297 L N 0.333 121.439 121.223 -0.194 0.000 2.012 297 L HA -0.129 4.211 4.340 -0.001 0.000 0.210 297 L C 2.272 179.039 176.870 -0.171 0.000 1.073 297 L CA 1.932 56.671 54.840 -0.168 0.000 0.748 297 L CB -0.447 41.516 42.059 -0.159 0.000 0.891 297 L HN 0.292 nan 8.230 nan 0.000 0.431 298 L N -1.719 119.404 121.223 -0.166 0.000 2.179 298 L HA -0.048 4.291 4.340 -0.001 0.000 0.208 298 L C 1.014 177.796 176.870 -0.147 0.000 1.096 298 L CA 0.190 54.939 54.840 -0.152 0.000 0.779 298 L CB -0.309 41.665 42.059 -0.141 0.000 0.922 298 L HN 0.274 nan 8.230 nan 0.000 0.443 299 H N 1.109 120.033 119.070 -0.244 0.000 2.463 299 H HA 0.289 4.845 4.556 -0.001 0.000 0.332 299 H C -2.289 172.838 175.328 -0.336 0.000 1.127 299 H CA -2.050 53.854 56.048 -0.240 0.000 1.238 299 H CB 1.923 31.567 29.762 -0.197 0.000 1.478 299 H HN -0.140 nan 8.280 nan 0.000 0.499 300 P HA 0.091 nan 4.420 nan 0.000 0.278 300 P C -0.223 176.766 177.300 -0.518 0.000 1.238 300 P CA -0.446 62.017 63.100 -1.063 0.000 0.794 300 P CB 1.059 32.316 31.700 -0.737 0.000 0.955 301 T N 3.534 117.891 114.554 -0.328 0.000 2.882 301 T HA 0.194 4.543 4.350 -0.001 0.000 0.287 301 T C -1.468 173.199 174.700 -0.056 0.000 1.014 301 T CA -1.233 60.776 62.100 -0.153 0.000 1.049 301 T CB 0.127 68.936 68.868 -0.098 0.000 1.001 301 T HN 0.270 nan 8.240 nan 0.000 0.525 302 P HA -0.009 nan 4.420 nan 0.000 0.229 302 P C 0.744 178.062 177.300 0.029 0.000 1.150 302 P CA 0.403 63.531 63.100 0.047 0.000 0.765 302 P CB 0.038 31.752 31.700 0.024 0.000 0.783 303 A N -1.866 120.952 122.820 -0.003 0.000 2.119 303 A HA -0.002 4.317 4.320 -0.001 0.000 0.216 303 A C 1.839 179.470 177.584 0.079 0.000 1.152 303 A CA 1.122 53.169 52.037 0.016 0.000 0.708 303 A CB -0.768 18.225 19.000 -0.013 0.000 0.805 303 A HN 0.175 nan 8.150 nan 0.000 0.460 304 L N -1.664 119.624 121.223 0.108 0.000 2.803 304 L HA 0.147 4.487 4.340 -0.001 0.000 0.246 304 L C 2.146 179.191 176.870 0.291 0.000 1.100 304 L CA 1.377 56.336 54.840 0.198 0.000 0.919 304 L CB 0.468 42.671 42.059 0.239 0.000 1.285 304 L HN 0.434 nan 8.230 nan 0.000 0.522 305 S N -1.965 113.902 115.700 0.278 0.000 3.142 305 S HA 0.755 5.225 4.470 -0.001 0.000 0.223 305 S C 0.823 175.559 174.600 0.227 0.000 0.939 305 S CA 0.394 58.818 58.200 0.374 0.000 0.826 305 S CB 0.951 64.436 63.200 0.476 0.000 0.823 305 S HN 0.321 nan 8.310 nan 0.000 0.612 306 G N 0.747 109.669 108.800 0.204 0.000 2.345 306 G HA2 0.372 4.332 3.960 -0.001 0.000 0.285 306 G HA3 0.372 4.332 3.960 -0.001 0.000 0.285 306 G C -2.239 172.805 174.900 0.240 0.000 1.297 306 G CA -0.431 44.772 45.100 0.172 0.000 0.875 306 G HN 0.813 nan 8.290 nan 0.000 0.506 307 F N 1.264 121.236 119.950 0.037 0.000 2.573 307 F HA 0.702 5.228 4.527 -0.001 0.000 0.316 307 F C -2.542 173.273 175.800 0.025 0.000 1.148 307 F CA -1.990 56.028 58.000 0.030 0.000 0.940 307 F CB 2.615 41.621 39.000 0.009 0.000 1.214 307 F HN 0.348 nan 8.300 nan 0.000 0.448 308 P HA 0.088 nan 4.420 nan 0.000 0.272 308 P C 0.604 177.818 177.300 -0.142 0.000 1.230 308 P CA 0.134 62.805 63.100 -0.715 0.000 0.788 308 P CB 0.506 31.827 31.700 -0.632 0.000 0.949 309 H N 1.547 120.565 119.070 -0.085 0.000 2.253 309 H HA -0.214 4.341 4.556 -0.001 0.000 0.296 309 H C 1.599 176.893 175.328 -0.056 0.000 1.074 309 H CA 1.989 58.017 56.048 -0.033 0.000 1.263 309 H CB -0.015 29.723 29.762 -0.039 0.000 1.363 309 H HN 0.422 nan 8.280 nan 0.000 0.489 310 Q N 0.114 119.712 119.800 -0.336 0.000 2.167 310 Q HA -0.072 4.268 4.340 -0.001 0.000 0.202 310 Q C 2.314 178.175 176.000 -0.232 0.000 0.970 310 Q CA 0.965 56.535 55.803 -0.388 0.000 0.855 310 Q CB -0.030 28.573 28.738 -0.225 0.000 0.911 310 Q HN 0.584 nan 8.270 nan 0.000 0.438 311 A N 0.087 122.803 122.820 -0.175 0.000 2.014 311 A HA 0.010 4.330 4.320 -0.001 0.000 0.218 311 A C 2.036 179.561 177.584 -0.098 0.000 1.163 311 A CA 1.328 53.288 52.037 -0.129 0.000 0.652 311 A CB -0.352 18.567 19.000 -0.134 0.000 0.808 311 A HN 0.465 nan 8.150 nan 0.000 0.449 312 A N -1.907 120.859 122.820 -0.090 0.000 1.984 312 A HA 0.084 4.404 4.320 -0.001 0.000 0.214 312 A C 2.148 179.726 177.584 -0.010 0.000 1.173 312 A CA 1.664 53.686 52.037 -0.024 0.000 0.673 312 A CB -0.936 18.085 19.000 0.035 0.000 0.830 312 A HN 0.326 nan 8.150 nan 0.000 0.453 313 T N 0.085 114.592 114.554 -0.078 0.000 2.778 313 T HA -0.197 4.152 4.350 -0.001 0.000 0.269 313 T C 2.018 176.701 174.700 -0.028 0.000 1.050 313 T CA 2.060 64.125 62.100 -0.058 0.000 1.137 313 T CB -0.204 68.506 68.868 -0.263 0.000 0.860 313 T HN 0.646 nan 8.240 nan 0.000 0.468 314 Q N -0.386 119.379 119.800 -0.058 0.000 2.123 314 Q HA 0.030 4.369 4.340 -0.001 0.000 0.196 314 Q C 2.531 178.512 176.000 -0.031 0.000 0.958 314 Q CA 0.792 56.568 55.803 -0.045 0.000 0.841 314 Q CB 0.011 28.715 28.738 -0.058 0.000 0.915 314 Q HN 0.360 nan 8.270 nan 0.000 0.455 315 V N 1.333 121.229 119.914 -0.030 0.000 2.332 315 V HA -0.288 3.832 4.120 -0.001 0.000 0.248 315 V C 2.154 178.232 176.094 -0.026 0.000 1.055 315 V CA 1.628 63.912 62.300 -0.027 0.000 1.038 315 V CB -0.521 31.289 31.823 -0.021 0.000 0.651 315 V HN 0.361 nan 8.190 nan 0.000 0.450 316 I N 0.499 121.065 120.570 -0.007 0.000 2.226 316 I HA -0.259 3.910 4.170 -0.001 0.000 0.245 316 I C 2.621 178.716 176.117 -0.036 0.000 1.100 316 I CA 1.599 62.894 61.300 -0.008 0.000 1.374 316 I CB -0.506 37.523 38.000 0.048 0.000 1.057 316 I HN 0.317 nan 8.210 nan 0.000 0.413 317 A N 0.092 122.904 122.820 -0.013 0.000 2.067 317 A HA -0.184 4.135 4.320 -0.001 0.000 0.219 317 A C 2.027 179.585 177.584 -0.043 0.000 1.158 317 A CA 1.527 53.551 52.037 -0.021 0.000 0.661 317 A CB -0.412 18.587 19.000 -0.002 0.000 0.801 317 A HN 0.501 nan 8.150 nan 0.000 0.452 318 E N -0.982 119.191 120.200 -0.045 0.000 2.415 318 E HA 0.223 4.572 4.350 -0.001 0.000 0.197 318 E C 1.493 178.057 176.600 -0.059 0.000 1.007 318 E CA -0.029 56.344 56.400 -0.046 0.000 0.890 318 E CB 0.178 29.856 29.700 -0.037 0.000 0.891 318 E HN 0.525 nan 8.360 nan 0.000 0.496 319 L N 0.601 121.779 121.223 -0.076 0.000 2.425 319 L HA 0.154 4.493 4.340 -0.001 0.000 0.215 319 L C 0.456 177.248 176.870 -0.130 0.000 1.065 319 L CA 0.406 55.194 54.840 -0.086 0.000 0.842 319 L CB 0.398 42.409 42.059 -0.080 0.000 1.033 319 L HN 0.011 nan 8.230 nan 0.000 0.474 320 E N 2.128 122.201 120.200 -0.212 0.000 2.167 320 E HA 0.116 4.465 4.350 -0.001 0.000 0.284 320 E C -1.785 174.526 176.600 -0.481 0.000 1.016 320 E CA -1.720 54.405 56.400 -0.458 0.000 0.817 320 E CB 1.087 30.377 29.700 -0.683 0.000 1.080 320 E HN 0.043 nan 8.360 nan 0.000 0.397 321 P HA 0.028 nan 4.420 nan 0.000 0.258 321 P C -1.049 176.260 177.300 0.015 0.000 1.559 321 P CA 0.283 63.315 63.100 -0.113 0.000 0.855 321 P CB -0.607 31.125 31.700 0.052 0.000 1.594 322 F N -3.218 116.782 119.950 0.084 0.000 2.773 322 F HA 0.616 5.142 4.527 -0.001 0.000 0.314 322 F C -1.323 174.531 175.800 0.090 0.000 1.160 322 F CA -1.570 56.484 58.000 0.089 0.000 0.920 322 F CB 0.518 39.585 39.000 0.112 0.000 1.323 322 F HN -0.374 nan 8.300 nan 0.000 0.457 323 D N 0.574 121.214 120.400 0.400 0.000 2.193 323 D HA 0.391 5.030 4.640 -0.001 0.000 0.244 323 D C 0.629 177.147 176.300 0.363 0.000 1.064 323 D CA -0.450 53.723 54.000 0.289 0.000 0.845 323 D CB 1.799 42.701 40.800 0.170 0.000 1.148 323 D HN 0.632 nan 8.370 nan 0.000 0.464 324 R N 2.409 123.093 120.500 0.307 0.000 2.115 324 R HA -0.039 4.300 4.340 -0.001 0.000 0.226 324 R C 0.734 177.096 176.300 0.103 0.000 1.100 324 R CA 0.652 56.895 56.100 0.238 0.000 0.980 324 R CB 0.001 30.331 30.300 0.051 0.000 0.875 324 R HN 0.647 nan 8.270 nan 0.000 0.445 325 E N -0.841 119.414 120.200 0.091 0.000 3.287 325 E HA -0.347 4.002 4.350 -0.001 0.000 0.405 325 E C 1.104 177.673 176.600 -0.051 0.000 1.541 325 E CA 1.849 58.249 56.400 -0.001 0.000 1.405 325 E CB -1.222 28.434 29.700 -0.074 0.000 1.576 325 E HN 0.162 nan 8.360 nan 0.000 0.474 326 L N 0.223 121.310 121.223 -0.226 0.000 2.395 326 L HA 0.122 4.461 4.340 -0.001 0.000 0.218 326 L C 0.966 177.718 176.870 -0.198 0.000 1.130 326 L CA 0.111 54.825 54.840 -0.211 0.000 0.826 326 L CB -0.163 41.741 42.059 -0.258 0.000 0.941 326 L HN 0.118 nan 8.230 nan 0.000 0.451 327 F N 0.367 120.181 119.950 -0.227 0.000 2.504 327 F HA 0.249 4.777 4.527 0.000 0.000 0.369 327 F C 1.538 177.017 175.800 -0.534 0.000 1.082 327 F CA 0.294 57.922 58.000 -0.620 0.000 1.216 327 F CB 0.719 38.928 39.000 -1.319 0.000 1.108 327 F HN 0.130 nan 8.300 nan 0.000 0.554 328 G N 2.491 111.261 108.800 -0.051 0.000 2.148 328 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.254 328 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.254 328 G C 0.454 175.694 174.900 0.567 0.000 0.981 328 G CA -0.117 45.145 45.100 0.271 0.000 0.670 328 G HN 1.129 nan 8.290 nan 0.000 0.528 329 G N -0.403 108.599 108.800 0.335 0.000 2.630 329 G HA2 0.821 4.781 3.960 -0.001 0.000 0.223 329 G HA3 0.821 4.781 3.960 -0.001 0.000 0.223 329 G C 0.176 175.011 174.900 -0.109 0.000 1.434 329 G CA -0.387 44.855 45.100 0.238 0.000 1.057 329 G HN 1.325 nan 8.290 nan 0.000 0.570 330 I N -2.591 117.846 120.570 -0.221 0.000 2.785 330 I HA 0.778 4.948 4.170 -0.001 0.000 0.302 330 I C -0.865 175.282 176.117 0.049 0.000 1.069 330 I CA -1.250 59.932 61.300 -0.197 0.000 1.045 330 I CB 2.166 39.985 38.000 -0.301 0.000 1.236 330 I HN 0.426 nan 8.210 nan 0.000 0.429 331 V N 4.014 123.966 119.914 0.063 0.000 2.876 331 V HA 1.044 5.163 4.120 -0.001 0.000 0.312 331 V C -0.029 176.055 176.094 -0.017 0.000 1.085 331 V CA 0.653 62.988 62.300 0.059 0.000 0.945 331 V CB 1.473 33.075 31.823 -0.368 0.000 1.017 331 V HN 1.339 nan 8.190 nan 0.000 0.428 332 G N 4.298 112.858 108.800 -0.400 0.000 2.491 332 G HA2 0.252 4.211 3.960 -0.001 0.000 0.183 332 G HA3 0.252 4.211 3.960 -0.001 0.000 0.183 332 G C -1.326 172.755 174.900 -1.364 0.000 1.221 332 G CA 0.064 44.421 45.100 -1.238 0.000 0.996 332 G HN 1.728 nan 8.290 nan 0.000 0.474 333 W N -0.736 119.417 121.300 -1.911 0.000 3.005 333 W HA 0.626 5.285 4.660 -0.001 0.000 0.343 333 W C -0.684 175.519 176.519 -0.526 0.000 1.243 333 W CA -0.883 55.882 57.345 -0.966 0.000 1.186 333 W CB 0.640 29.773 29.460 -0.546 0.000 1.453 333 W HN 1.531 nan 8.180 nan 0.000 0.575 334 C N 1.127 120.496 119.300 0.116 0.000 3.171 334 C HA 0.624 5.083 4.460 -0.001 0.000 0.336 334 C C -0.418 174.756 174.990 0.306 0.000 1.198 334 C CA -0.486 58.584 59.018 0.087 0.000 1.319 334 C CB 1.172 29.070 27.740 0.262 0.000 1.682 334 C HN 0.807 nan 8.230 nan 0.000 0.497 335 D N 1.332 121.824 120.400 0.154 0.000 2.539 335 D HA 0.474 5.114 4.640 -0.001 0.000 0.276 335 D C 1.030 177.011 176.300 -0.532 0.000 1.206 335 D CA 0.053 54.023 54.000 -0.049 0.000 1.081 335 D CB 0.664 41.451 40.800 -0.022 0.000 1.142 335 D HN 0.778 nan 8.370 nan 0.000 0.595 336 S N -1.940 113.258 115.700 -0.838 0.000 2.607 336 S HA 0.016 4.486 4.470 -0.001 0.000 0.224 336 S C 0.685 175.016 174.600 -0.449 0.000 0.969 336 S CA 0.139 57.715 58.200 -1.040 0.000 0.927 336 S CB -0.322 62.367 63.200 -0.853 0.000 0.772 336 S HN 0.463 nan 8.310 nan 0.000 0.533 337 E N 0.441 120.477 120.200 -0.273 0.000 2.651 337 E HA 0.427 4.777 4.350 -0.001 0.000 0.208 337 E C 1.025 177.573 176.600 -0.086 0.000 0.997 337 E CA 0.257 56.571 56.400 -0.143 0.000 1.020 337 E CB 0.352 29.997 29.700 -0.092 0.000 1.052 337 E HN 0.445 nan 8.360 nan 0.000 0.465 338 G N 0.467 109.210 108.800 -0.095 0.000 2.199 338 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.254 338 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.254 338 G C 0.293 175.174 174.900 -0.031 0.000 0.982 338 G CA 0.032 45.103 45.100 -0.049 0.000 0.632 338 G HN 0.250 nan 8.290 nan 0.000 0.529 339 N N 0.999 119.683 118.700 -0.027 0.000 2.463 339 N HA 0.692 5.432 4.740 -0.001 0.000 0.270 339 N C 0.678 176.051 175.510 -0.229 0.000 1.205 339 N CA 0.902 53.938 53.050 -0.023 0.000 0.974 339 N CB 1.457 40.005 38.487 0.102 0.000 1.197 339 N HN 1.214 nan 8.380 nan 0.000 0.504 340 G N -0.790 107.726 108.800 -0.473 0.000 2.327 340 G HA2 0.339 4.299 3.960 -0.001 0.000 0.291 340 G HA3 0.339 4.299 3.960 -0.001 0.000 0.291 340 G C -1.894 172.416 174.900 -0.983 0.000 1.290 340 G CA -0.597 43.666 45.100 -1.396 0.000 0.857 340 G HN 0.532 nan 8.290 nan 0.000 0.520 341 E N -1.085 118.242 120.200 -1.455 0.000 2.335 341 E HA 0.557 4.907 4.350 -0.001 0.000 0.280 341 E C -2.107 173.878 176.600 -1.026 0.000 0.918 341 E CA -0.771 55.220 56.400 -0.682 0.000 0.765 341 E CB 1.898 31.575 29.700 -0.038 0.000 1.218 341 E HN 0.504 nan 8.360 nan 0.000 0.425 342 W N 4.305 125.479 121.300 -0.211 0.000 2.830 342 W HA 0.475 5.134 4.660 -0.002 0.000 0.335 342 W C -0.773 175.653 176.519 -0.156 0.000 1.043 342 W CA -0.704 56.530 57.345 -0.185 0.000 1.239 342 W CB 1.781 31.111 29.460 -0.216 0.000 1.378 342 W HN 0.338 nan 8.180 nan 0.000 0.456 343 V N 0.451 120.401 119.914 0.060 0.000 2.815 343 V HA 0.741 4.861 4.120 -0.001 0.000 0.314 343 V C -0.382 175.693 176.094 -0.031 0.000 1.064 343 V CA -1.252 61.016 62.300 -0.053 0.000 0.952 343 V CB 1.214 32.964 31.823 -0.122 0.000 1.020 343 V HN 0.236 nan 8.190 nan 0.000 0.439 344 V N 2.483 122.395 119.914 -0.004 0.000 2.572 344 V HA 0.168 4.288 4.120 -0.001 0.000 0.291 344 V C 1.010 177.169 176.094 0.108 0.000 1.039 344 V CA 0.307 62.632 62.300 0.042 0.000 1.055 344 V CB 1.005 32.920 31.823 0.152 0.000 0.969 344 V HN 1.056 nan 8.190 nan 0.000 0.482 345 T N 7.622 122.235 114.554 0.099 0.000 3.185 345 T HA 0.471 4.821 4.350 -0.001 0.000 0.287 345 T C -0.005 174.924 174.700 0.381 0.000 1.051 345 T CA 0.195 62.405 62.100 0.183 0.000 1.051 345 T CB -0.968 67.951 68.868 0.085 0.000 1.034 345 T HN 0.593 nan 8.240 nan 0.000 0.685 346 I N -1.892 118.946 120.570 0.448 0.000 3.279 346 I HA 0.660 4.830 4.170 -0.001 0.000 0.315 346 I C -0.495 175.849 176.117 0.378 0.000 1.187 346 I CA -1.872 59.694 61.300 0.445 0.000 0.953 346 I CB 1.519 39.722 38.000 0.339 0.000 1.279 346 I HN -0.018 nan 8.210 nan 0.000 0.465 347 R N 0.165 120.816 120.500 0.251 0.000 3.301 347 R HA -0.164 4.175 4.340 -0.001 0.000 0.249 347 R C -0.544 175.843 176.300 0.146 0.000 0.964 347 R CA 0.845 57.035 56.100 0.150 0.000 0.653 347 R CB -2.768 27.605 30.300 0.122 0.000 1.043 347 R HN 0.939 nan 8.270 nan 0.000 0.454 348 C N -3.623 115.808 119.300 0.218 0.000 3.259 348 C HA 1.001 5.460 4.460 -0.001 0.000 0.328 348 C C -0.082 175.075 174.990 0.279 0.000 1.425 348 C CA -0.547 58.623 59.018 0.254 0.000 1.465 348 C CB 2.546 30.602 27.740 0.528 0.000 1.890 348 C HN 0.716 nan 8.230 nan 0.000 0.450 349 A N 0.664 123.680 122.820 0.327 0.000 2.549 349 A HA 0.786 5.105 4.320 -0.001 0.000 0.297 349 A C -1.216 176.574 177.584 0.343 0.000 1.061 349 A CA -0.406 51.838 52.037 0.346 0.000 0.690 349 A CB 1.299 20.461 19.000 0.269 0.000 1.287 349 A HN 1.022 nan 8.150 nan 0.000 0.402 350 K N 1.780 122.391 120.400 0.352 0.000 2.213 350 K HA 0.617 4.937 4.320 -0.001 0.000 0.270 350 K C -1.566 175.107 176.600 0.122 0.000 1.002 350 K CA -0.507 55.868 56.287 0.147 0.000 0.868 350 K CB 0.518 33.028 32.500 0.017 0.000 1.093 350 K HN 0.515 nan 8.250 nan 0.000 0.454 351 L N 3.840 125.115 121.223 0.087 0.000 2.334 351 L HA 0.575 4.915 4.340 -0.001 0.000 0.276 351 L C -0.261 176.636 176.870 0.044 0.000 1.014 351 L CA -0.414 54.477 54.840 0.085 0.000 0.815 351 L CB 1.659 43.777 42.059 0.099 0.000 1.268 351 L HN 0.597 nan 8.230 nan 0.000 0.428 352 R N 2.276 122.801 120.500 0.041 0.000 2.585 352 R HA 0.303 4.642 4.340 -0.001 0.000 0.288 352 R C -0.619 175.698 176.300 0.029 0.000 1.194 352 R CA -0.210 55.907 56.100 0.028 0.000 1.006 352 R CB 1.092 31.403 30.300 0.018 0.000 1.229 352 R HN 0.806 nan 8.270 nan 0.000 0.412 353 E N 1.251 121.469 120.200 0.031 0.000 3.213 353 E HA -0.323 4.027 4.350 -0.001 0.000 0.374 353 E C 0.040 176.662 176.600 0.037 0.000 1.500 353 E CA 1.901 58.319 56.400 0.030 0.000 1.497 353 E CB -0.810 28.903 29.700 0.022 0.000 1.692 353 E HN 0.892 nan 8.360 nan 0.000 0.494 354 N N 2.165 120.882 118.700 0.028 0.000 2.276 354 N HA 0.035 4.774 4.740 -0.001 0.000 0.212 354 N C 0.003 175.520 175.510 0.013 0.000 1.127 354 N CA 0.295 53.361 53.050 0.027 0.000 0.834 354 N CB 0.492 38.991 38.487 0.020 0.000 1.014 354 N HN 0.213 nan 8.380 nan 0.000 0.491 355 Q N 0.796 120.604 119.800 0.014 0.000 2.333 355 Q HA 0.531 4.871 4.340 -0.001 0.000 0.267 355 Q C -1.504 174.494 176.000 -0.002 0.000 1.012 355 Q CA -0.700 55.101 55.803 -0.004 0.000 0.824 355 Q CB 2.055 30.796 28.738 0.005 0.000 1.290 355 Q HN 0.059 nan 8.270 nan 0.000 0.449 356 V N 3.335 123.217 119.914 -0.053 0.000 2.735 356 V HA 0.678 4.798 4.120 -0.001 0.000 0.310 356 V C -0.700 175.363 176.094 -0.052 0.000 1.061 356 V CA -1.025 61.242 62.300 -0.054 0.000 0.913 356 V CB 1.968 33.659 31.823 -0.221 0.000 1.005 356 V HN 0.768 nan 8.190 nan 0.000 0.428 357 R N 3.306 123.830 120.500 0.040 0.000 2.439 357 R HA 0.716 5.056 4.340 -0.001 0.000 0.310 357 R C -1.422 174.926 176.300 0.079 0.000 0.955 357 R CA -0.572 55.563 56.100 0.059 0.000 0.853 357 R CB 1.187 31.589 30.300 0.171 0.000 1.171 357 R HN 0.790 nan 8.270 nan 0.000 0.449 358 L N 4.129 125.300 121.223 -0.086 0.000 2.399 358 L HA 0.620 4.960 4.340 -0.001 0.000 0.265 358 L C -0.489 176.161 176.870 -0.366 0.000 1.089 358 L CA -0.899 53.847 54.840 -0.157 0.000 0.802 358 L CB 1.016 42.986 42.059 -0.148 0.000 1.180 358 L HN 0.584 nan 8.230 nan 0.000 0.454 359 F N 1.124 120.685 119.950 -0.648 0.000 2.591 359 F HA 0.768 5.295 4.527 -0.000 0.000 0.309 359 F C -1.036 174.521 175.800 -0.404 0.000 1.098 359 F CA -0.461 57.072 58.000 -0.778 0.000 0.937 359 F CB 1.808 39.859 39.000 -1.582 0.000 1.250 359 F HN 0.517 nan 8.300 nan 0.000 0.447 360 A N 3.199 125.252 122.820 -1.278 0.000 2.547 360 A HA 0.830 5.149 4.320 -0.001 0.000 0.297 360 A C -1.254 175.750 177.584 -0.967 0.000 1.056 360 A CA -0.199 51.250 52.037 -0.980 0.000 0.688 360 A CB 1.328 20.027 19.000 -0.502 0.000 1.282 360 A HN 1.477 nan 8.150 nan 0.000 0.400 361 G N -0.554 107.890 108.800 -0.593 0.000 2.619 361 G HA2 0.908 4.868 3.960 -0.001 0.000 0.296 361 G HA3 0.908 4.868 3.960 -0.001 0.000 0.296 361 G C -0.690 174.185 174.900 -0.043 0.000 1.334 361 G CA 0.059 45.020 45.100 -0.231 0.000 0.934 361 G HN 1.941 nan 8.290 nan 0.000 0.476 362 A N -1.145 121.714 122.820 0.065 0.000 2.515 362 A HA 0.942 5.262 4.320 -0.001 0.000 0.296 362 A C 0.354 177.997 177.584 0.099 0.000 1.094 362 A CA -0.007 52.085 52.037 0.092 0.000 0.718 362 A CB 1.565 20.637 19.000 0.121 0.000 1.307 362 A HN 2.592 nan 8.150 nan 0.000 0.408 363 G N -0.272 108.580 108.800 0.087 0.000 2.245 363 G HA2 0.023 3.982 3.960 -0.001 0.000 0.130 363 G HA3 0.023 3.982 3.960 -0.001 0.000 0.130 363 G C -0.675 174.276 174.900 0.085 0.000 1.040 363 G CA 0.020 45.173 45.100 0.088 0.000 0.713 363 G HN 0.831 nan 8.290 nan 0.000 0.488 364 I N 1.050 121.664 120.570 0.073 0.000 2.382 364 I HA 0.654 4.823 4.170 -0.001 0.000 0.286 364 I C 0.503 176.663 176.117 0.072 0.000 1.002 364 I CA -0.944 60.393 61.300 0.062 0.000 1.135 364 I CB 1.856 39.874 38.000 0.030 0.000 1.288 364 I HN 0.344 nan 8.210 nan 0.000 0.448 365 V N 3.621 123.587 119.914 0.087 0.000 3.167 365 V HA 0.616 4.735 4.120 -0.001 0.000 0.310 365 V C -2.471 173.677 176.094 0.090 0.000 1.207 365 V CA -1.759 60.611 62.300 0.117 0.000 1.059 365 V CB 1.256 33.197 31.823 0.197 0.000 1.079 365 V HN 0.350 nan 8.190 nan 0.000 0.446 366 P HA -0.094 nan 4.420 nan 0.000 0.217 366 P C 1.089 178.414 177.300 0.042 0.000 1.148 366 P CA 2.368 65.498 63.100 0.050 0.000 0.828 366 P CB 0.065 31.787 31.700 0.036 0.000 0.783 367 A N -1.102 121.752 122.820 0.057 0.000 2.251 367 A HA 0.131 4.451 4.320 -0.001 0.000 0.209 367 A C 0.747 178.364 177.584 0.055 0.000 1.187 367 A CA 0.061 52.127 52.037 0.049 0.000 0.823 367 A CB -0.801 18.229 19.000 0.050 0.000 0.846 367 A HN 0.246 nan 8.150 nan 0.000 0.486 368 S N 1.182 116.918 115.700 0.060 0.000 2.489 368 S HA 0.453 4.922 4.470 -0.001 0.000 0.277 368 S C 0.214 174.844 174.600 0.050 0.000 1.230 368 S CA -0.084 58.153 58.200 0.062 0.000 1.053 368 S CB 1.096 64.338 63.200 0.070 0.000 0.955 368 S HN 0.617 nan 8.310 nan 0.000 0.488 369 S N 2.274 118.009 115.700 0.059 0.000 2.513 369 S HA 0.374 4.843 4.470 -0.001 0.000 0.276 369 S C -2.126 172.519 174.600 0.076 0.000 1.254 369 S CA -1.299 56.934 58.200 0.056 0.000 1.053 369 S CB 0.847 64.082 63.200 0.059 0.000 0.958 369 S HN 0.410 nan 8.310 nan 0.000 0.491 370 P HA -0.117 nan 4.420 nan 0.000 0.216 370 P C 1.489 178.898 177.300 0.182 0.000 1.150 370 P CA 0.481 63.627 63.100 0.077 0.000 0.843 370 P CB 0.039 31.750 31.700 0.018 0.000 0.787 371 L N -0.462 120.849 121.223 0.145 0.000 2.093 371 L HA 0.017 4.356 4.340 -0.001 0.000 0.208 371 L C 2.281 179.299 176.870 0.246 0.000 1.085 371 L CA 2.152 57.111 54.840 0.198 0.000 0.755 371 L CB -1.556 40.574 42.059 0.119 0.000 0.904 371 L HN -0.054 nan 8.230 nan 0.000 0.435 372 G N -1.042 107.863 108.800 0.174 0.000 2.440 372 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.218 372 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.218 372 G C 1.408 176.417 174.900 0.181 0.000 1.154 372 G CA 0.793 45.985 45.100 0.152 0.000 0.767 372 G HN 0.418 nan 8.290 nan 0.000 0.552 373 E N -0.217 120.121 120.200 0.229 0.000 2.076 373 E HA -0.062 4.288 4.350 -0.001 0.000 0.190 373 E C 2.019 178.852 176.600 0.388 0.000 0.979 373 E CA 0.292 56.856 56.400 0.275 0.000 0.807 373 E CB -0.644 29.211 29.700 0.259 0.000 0.761 373 E HN 0.688 nan 8.360 nan 0.000 0.454 374 W N 2.553 124.064 121.300 0.353 0.000 2.304 374 W HA -0.244 4.416 4.660 -0.001 0.000 0.315 374 W C 1.743 178.281 176.519 0.032 0.000 1.233 374 W CA 1.678 59.151 57.345 0.213 0.000 1.261 374 W CB -0.239 29.362 29.460 0.235 0.000 1.150 374 W HN 0.036 nan 8.180 nan 0.000 0.494 375 R N -0.002 120.550 120.500 0.086 0.000 2.115 375 R HA -0.128 4.212 4.340 -0.001 0.000 0.226 375 R C 2.304 178.549 176.300 -0.092 0.000 1.100 375 R CA 1.446 57.514 56.100 -0.054 0.000 0.980 375 R CB -0.476 29.891 30.300 0.112 0.000 0.875 375 R HN 0.323 nan 8.270 nan 0.000 0.445 376 E N 0.240 120.430 120.200 -0.016 0.000 2.017 376 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 376 E C 1.737 178.279 176.600 -0.096 0.000 0.997 376 E CA 2.087 58.480 56.400 -0.012 0.000 0.804 376 E CB 0.058 29.793 29.700 0.058 0.000 0.757 376 E HN 0.340 nan 8.360 nan 0.000 0.448 377 T N -1.538 112.925 114.554 -0.151 0.000 2.737 377 T HA -0.170 4.180 4.350 -0.001 0.000 0.269 377 T C 1.966 176.439 174.700 -0.379 0.000 1.040 377 T CA 1.283 63.214 62.100 -0.281 0.000 1.142 377 T CB -1.188 67.445 68.868 -0.391 0.000 0.861 377 T HN 0.301 nan 8.240 nan 0.000 0.456 378 G N 1.274 109.789 108.800 -0.474 0.000 2.476 378 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.218 378 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.218 378 G C 1.659 176.413 174.900 -0.244 0.000 1.164 378 G CA 1.207 46.041 45.100 -0.443 0.000 0.768 378 G HN 0.531 nan 8.290 nan 0.000 0.560 379 V N 0.653 120.469 119.914 -0.163 0.000 2.453 379 V HA -0.107 4.013 4.120 -0.001 0.000 0.247 379 V C 2.698 178.743 176.094 -0.083 0.000 1.048 379 V CA 2.091 64.335 62.300 -0.093 0.000 1.049 379 V CB -0.408 31.385 31.823 -0.049 0.000 0.672 379 V HN 0.362 nan 8.190 nan 0.000 0.457 380 K N 0.255 120.601 120.400 -0.091 0.000 2.097 380 K HA -0.075 4.244 4.320 -0.001 0.000 0.206 380 K C 2.053 178.589 176.600 -0.107 0.000 1.049 380 K CA 1.249 57.494 56.287 -0.069 0.000 0.933 380 K CB -0.334 32.124 32.500 -0.070 0.000 0.717 380 K HN 0.334 nan 8.250 nan 0.000 0.442 381 L N 1.323 122.441 121.223 -0.176 0.000 2.265 381 L HA -0.152 4.188 4.340 -0.001 0.000 0.215 381 L C 2.444 179.245 176.870 -0.115 0.000 1.117 381 L CA 1.091 55.824 54.840 -0.177 0.000 0.782 381 L CB -0.461 41.447 42.059 -0.253 0.000 0.914 381 L HN 0.255 nan 8.230 nan 0.000 0.441 382 S N -2.243 113.397 115.700 -0.101 0.000 2.481 382 S HA -0.122 4.348 4.470 -0.001 0.000 0.231 382 S C 1.875 176.442 174.600 -0.056 0.000 0.996 382 S CA 1.079 59.234 58.200 -0.075 0.000 0.942 382 S CB -0.415 62.747 63.200 -0.064 0.000 0.768 382 S HN 0.315 nan 8.310 nan 0.000 0.520 383 T N 2.882 117.409 114.554 -0.045 0.000 2.652 383 T HA -0.017 4.333 4.350 -0.001 0.000 0.267 383 T C 1.821 176.506 174.700 -0.025 0.000 1.039 383 T CA 1.732 63.812 62.100 -0.033 0.000 1.153 383 T CB -0.310 68.549 68.868 -0.014 0.000 0.863 383 T HN 0.305 nan 8.240 nan 0.000 0.428 384 M N 0.402 120.000 119.600 -0.004 0.000 2.288 384 M HA 0.110 4.590 4.480 -0.001 0.000 0.266 384 M C 2.047 178.426 176.300 0.133 0.000 1.072 384 M CA 0.724 56.059 55.300 0.058 0.000 1.132 384 M CB -1.131 31.520 32.600 0.085 0.000 1.386 384 M HN 0.176 nan 8.290 nan 0.000 0.432 385 L N 0.898 122.146 121.223 0.043 0.000 2.083 385 L HA -0.194 4.146 4.340 -0.001 0.000 0.209 385 L C 2.059 178.933 176.870 0.008 0.000 1.083 385 L CA 1.583 56.441 54.840 0.032 0.000 0.752 385 L CB -1.759 40.267 42.059 -0.054 0.000 0.899 385 L HN 0.308 nan 8.230 nan 0.000 0.433 386 N N -0.440 118.229 118.700 -0.052 0.000 2.166 386 N HA -0.130 4.609 4.740 -0.001 0.000 0.186 386 N C 1.997 177.460 175.510 -0.078 0.000 1.019 386 N CA 1.042 54.034 53.050 -0.097 0.000 0.856 386 N CB -0.327 38.105 38.487 -0.091 0.000 0.993 386 N HN 0.144 nan 8.380 nan 0.000 0.426 387 V N 0.484 120.355 119.914 -0.072 0.000 2.392 387 V HA -0.186 3.934 4.120 -0.001 0.000 0.249 387 V C 1.644 177.593 176.094 -0.243 0.000 1.059 387 V CA 1.327 63.526 62.300 -0.170 0.000 1.051 387 V CB -0.625 31.063 31.823 -0.225 0.000 0.658 387 V HN 0.152 nan 8.190 nan 0.000 0.455 388 F N 0.517 120.417 119.950 -0.083 0.000 2.661 388 F HA 0.318 4.844 4.527 -0.001 0.000 0.298 388 F C 1.863 177.618 175.800 -0.074 0.000 1.137 388 F CA 0.894 58.852 58.000 -0.069 0.000 1.454 388 F CB -0.362 38.600 39.000 -0.063 0.000 1.103 388 F HN 0.295 nan 8.300 nan 0.000 0.577 389 G N 1.154 109.967 108.800 0.022 0.000 2.182 389 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.248 389 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.248 389 G C -0.131 174.729 174.900 -0.065 0.000 1.042 389 G CA 0.070 45.146 45.100 -0.039 0.000 0.775 389 G HN 0.292 nan 8.290 nan 0.000 0.501 390 L N -0.816 120.344 121.223 -0.105 0.000 2.271 390 L HA 0.780 5.120 4.340 -0.001 0.000 0.265 390 L C 0.610 177.285 176.870 -0.326 0.000 1.013 390 L CA -1.461 53.310 54.840 -0.115 0.000 0.820 390 L CB 1.566 43.612 42.059 -0.022 0.000 1.352 390 L HN 0.172 nan 8.230 nan 0.000 0.443 391 H N 0.000 119.070 119.070 0.000 0.000 2.539 391 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 391 H CA 0.000 56.042 56.048 -0.011 0.000 1.023 391 H CB 0.000 29.759 29.762 -0.005 0.000 1.292 391 H HN 0.000 nan 8.280 nan 0.000 0.496