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 1kbp_1_D DATA FIRST_RESID 9 DATA SEQUENCE RDMPLDSDVF RVPPGYNAPQ QVHITQGDLV GRAMIISWVT MDEPGSSAVR DATA SEQUENCE YWSEKNGRKR IAKGKMSTYR FFNYSSGFIH HTTIRKLKYN TKYYYEVGLR DATA SEQUENCE NTTRRFSFIT PPQTGLDVPY TFGLIGDLGQ SFDSNTTLSH YELSPKKGQT DATA SEQUENCE VLFVGDLSYA DRYPNHDNVR WDTWGRFTER SVAYQPWIWT AGNHEIEFAP DATA SEQUENCE EINETEPFKP FSYRYHVPYE ASQSTSPFWY SIKRASAHII VLSSYSAYGR DATA SEQUENCE GTPQYTWLKK ELRKVKRSET PWLIVLMHSP LYNSYNHHFM EGEAMRTKFE DATA SEQUENCE AWFVKYKVDV VFAGHVHAYE RSERVSNIAY KITDGLCTPV KDQSAPVYIT DATA SEQUENCE IGDAGNYGVI DSNMIQPQPE YSAFREASFG HGMFDIKNRT HAHFSWNRNQ DATA SEQUENCE DGVAVEADSV WFFNRHWYPV DDST 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 9 R HA 0.000 nan 4.340 nan 0.000 0.208 9 R C 0.000 176.377 176.300 0.128 0.000 0.893 9 R CA 0.000 56.237 56.100 0.229 0.000 0.921 9 R CB 0.000 30.418 30.300 0.197 0.000 0.687 10 D N 1.654 122.091 120.400 0.062 0.000 2.277 10 D HA 0.200 4.840 4.640 -0.000 0.000 0.249 10 D C 0.414 176.603 176.300 -0.186 0.000 1.134 10 D CA 0.090 54.074 54.000 -0.028 0.000 0.863 10 D CB 0.957 41.834 40.800 0.129 0.000 1.143 10 D HN 0.257 nan 8.370 nan 0.000 0.458 11 M N 4.301 123.609 119.600 -0.487 0.000 2.248 11 M HA 0.057 4.537 4.480 -0.000 0.000 0.343 11 M C -1.853 174.421 176.300 -0.043 0.000 1.243 11 M CA -0.736 54.176 55.300 -0.648 0.000 1.025 11 M CB 0.104 32.222 32.600 -0.803 0.000 1.759 11 M HN 0.095 nan 8.290 nan 0.000 0.452 12 P HA 0.039 nan 4.420 nan 0.000 0.272 12 P C 0.396 177.856 177.300 0.265 0.000 1.223 12 P CA -0.110 63.073 63.100 0.137 0.000 0.784 12 P CB 0.720 32.496 31.700 0.126 0.000 0.923 13 L N 1.561 122.902 121.223 0.196 0.000 2.129 13 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 13 L C 1.831 178.867 176.870 0.276 0.000 1.087 13 L CA 2.372 57.327 54.840 0.191 0.000 0.757 13 L CB -0.996 41.086 42.059 0.039 0.000 0.896 13 L HN 0.485 nan 8.230 nan 0.000 0.434 14 D N -2.061 118.450 120.400 0.185 0.000 2.355 14 D HA -0.050 4.590 4.640 -0.000 0.000 0.218 14 D C 0.774 177.140 176.300 0.110 0.000 1.004 14 D CA -0.029 54.055 54.000 0.140 0.000 0.880 14 D CB -0.062 40.794 40.800 0.093 0.000 0.911 14 D HN 0.024 nan 8.370 nan 0.000 0.528 15 S N 1.872 117.618 115.700 0.077 0.000 2.599 15 S HA -0.091 4.379 4.470 -0.000 0.000 0.303 15 S C 1.124 175.650 174.600 -0.123 0.000 1.267 15 S CA 0.318 58.443 58.200 -0.124 0.000 1.055 15 S CB 0.547 63.466 63.200 -0.469 0.000 0.790 15 S HN 0.453 nan 8.310 nan 0.000 0.500 16 D N 2.676 123.024 120.400 -0.086 0.000 2.239 16 D HA -0.139 4.501 4.640 -0.000 0.000 0.202 16 D C 1.557 177.824 176.300 -0.056 0.000 0.993 16 D CA 0.802 54.781 54.000 -0.036 0.000 0.874 16 D CB -0.390 40.399 40.800 -0.017 0.000 0.922 16 D HN 0.359 nan 8.370 nan 0.000 0.464 17 V N -0.436 119.349 119.914 -0.214 0.000 2.548 17 V HA -0.148 3.972 4.120 -0.000 0.000 0.249 17 V C 1.362 177.420 176.094 -0.061 0.000 1.055 17 V CA 0.980 63.157 62.300 -0.206 0.000 1.065 17 V CB -0.564 31.018 31.823 -0.402 0.000 0.681 17 V HN 0.004 nan 8.190 nan 0.000 0.462 18 F N 0.157 120.124 119.950 0.028 0.000 2.773 18 F HA 0.366 4.893 4.527 -0.000 0.000 0.304 18 F C 1.198 177.031 175.800 0.056 0.000 1.129 18 F CA -0.851 57.175 58.000 0.045 0.000 1.378 18 F CB -0.830 38.177 39.000 0.012 0.000 1.095 18 F HN 0.004 nan 8.300 nan 0.000 0.565 19 R N 0.586 121.207 120.500 0.201 0.000 2.698 19 R HA 0.176 4.516 4.340 -0.000 0.000 0.266 19 R C -0.269 176.115 176.300 0.140 0.000 1.026 19 R CA -0.184 56.003 56.100 0.144 0.000 1.102 19 R CB 0.376 30.736 30.300 0.100 0.000 0.978 19 R HN 0.010 nan 8.270 nan 0.000 0.436 20 V N 4.975 124.958 119.914 0.114 0.000 2.407 20 V HA 0.486 4.606 4.120 -0.000 0.000 0.278 20 V C -1.991 174.157 176.094 0.090 0.000 1.037 20 V CA -2.260 60.102 62.300 0.104 0.000 0.900 20 V CB 1.310 33.186 31.823 0.088 0.000 0.983 20 V HN 0.747 nan 8.190 nan 0.000 0.459 21 P HA 0.173 nan 4.420 nan 0.000 0.261 21 P C -2.607 174.732 177.300 0.065 0.000 1.173 21 P CA -0.490 62.658 63.100 0.080 0.000 0.760 21 P CB -0.055 31.701 31.700 0.093 0.000 0.783 22 P HA 0.344 nan 4.420 nan 0.000 0.274 22 P C 0.102 177.432 177.300 0.051 0.000 1.231 22 P CA 0.409 63.540 63.100 0.052 0.000 0.790 22 P CB 0.915 32.643 31.700 0.046 0.000 0.951 23 G N 0.723 109.561 108.800 0.064 0.000 2.465 23 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.681 23 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.681 23 G C -1.885 173.077 174.900 0.103 0.000 1.340 23 G CA -0.988 44.160 45.100 0.081 0.000 0.884 23 G HN 0.553 nan 8.290 nan 0.000 0.650 24 Y N 2.609 122.930 120.300 0.036 0.000 2.436 24 Y HA 0.441 4.991 4.550 -0.000 0.000 0.336 24 Y C 1.386 177.318 175.900 0.055 0.000 1.049 24 Y CA 0.831 58.957 58.100 0.042 0.000 1.294 24 Y CB 0.354 38.833 38.460 0.032 0.000 1.179 24 Y HN 0.995 nan 8.280 nan 0.000 0.520 25 N N 3.634 121.953 118.700 -0.635 0.000 2.714 25 N HA -0.232 4.508 4.740 -0.000 0.000 0.253 25 N C -1.210 174.227 175.510 -0.121 0.000 1.024 25 N CA 0.265 53.038 53.050 -0.461 0.000 0.726 25 N CB -0.696 37.390 38.487 -0.668 0.000 0.908 25 N HN 0.778 nan 8.380 nan 0.000 0.542 26 A N 1.310 124.100 122.820 -0.049 0.000 2.362 26 A HA 0.477 4.797 4.320 -0.000 0.000 0.276 26 A C -2.085 175.542 177.584 0.071 0.000 1.153 26 A CA -0.981 51.069 52.037 0.022 0.000 0.813 26 A CB 0.511 19.531 19.000 0.034 0.000 1.081 26 A HN 0.191 nan 8.150 nan 0.000 0.507 27 P HA 0.088 nan 4.420 nan 0.000 0.261 27 P C -0.372 177.033 177.300 0.175 0.000 1.183 27 P CA 0.523 63.717 63.100 0.156 0.000 0.761 27 P CB 0.383 32.047 31.700 -0.060 0.000 0.785 28 Q N 1.657 121.592 119.800 0.226 0.000 2.605 28 Q HA 0.420 4.760 4.340 -0.000 0.000 0.296 28 Q C -0.793 175.331 176.000 0.206 0.000 1.056 28 Q CA -0.989 54.926 55.803 0.186 0.000 0.778 28 Q CB 1.172 30.000 28.738 0.150 0.000 1.497 28 Q HN 0.237 nan 8.270 nan 0.000 0.443 29 Q N -0.808 119.097 119.800 0.174 0.000 2.468 29 Q HA -0.123 4.217 4.340 -0.000 0.000 0.289 29 Q C -0.801 175.349 176.000 0.251 0.000 1.299 29 Q CA 0.523 56.440 55.803 0.189 0.000 0.838 29 Q CB -1.856 26.998 28.738 0.194 0.000 1.195 29 Q HN 0.463 nan 8.270 nan 0.000 0.456 30 V N 1.267 121.253 119.914 0.120 0.000 2.637 30 V HA 0.259 4.379 4.120 -0.000 0.000 0.296 30 V C 0.322 176.439 176.094 0.037 0.000 1.046 30 V CA 0.782 63.078 62.300 -0.006 0.000 1.066 30 V CB 0.516 32.100 31.823 -0.398 0.000 0.968 30 V HN 0.499 nan 8.190 nan 0.000 0.483 31 H N 2.624 121.647 119.070 -0.078 0.000 3.064 31 H HA 0.802 5.358 4.556 -0.000 0.000 0.352 31 H C -0.909 174.418 175.328 -0.002 0.000 1.260 31 H CA -1.156 54.866 56.048 -0.044 0.000 1.160 31 H CB 1.428 31.230 29.762 0.067 0.000 1.879 31 H HN 0.643 nan 8.280 nan 0.000 0.544 32 I N -0.425 120.216 120.570 0.118 0.000 2.934 32 I HA 0.922 5.092 4.170 -0.000 0.000 0.306 32 I C -1.262 174.931 176.117 0.127 0.000 1.110 32 I CA -0.840 60.469 61.300 0.015 0.000 1.019 32 I CB 2.828 40.724 38.000 -0.174 0.000 1.227 32 I HN 0.896 nan 8.210 nan 0.000 0.434 33 T N 0.448 115.029 114.554 0.045 0.000 2.762 33 T HA 0.305 4.655 4.350 -0.000 0.000 0.301 33 T C -0.856 173.813 174.700 -0.052 0.000 1.299 33 T CA -0.753 61.385 62.100 0.063 0.000 1.005 33 T CB 1.436 70.394 68.868 0.150 0.000 1.377 33 T HN 0.863 nan 8.240 nan 0.000 0.504 34 Q N -0.403 119.383 119.800 -0.022 0.000 2.364 34 Q HA 0.474 4.814 4.340 -0.000 0.000 0.267 34 Q C 0.859 176.808 176.000 -0.084 0.000 0.999 34 Q CA 0.275 56.039 55.803 -0.065 0.000 0.886 34 Q CB 0.307 29.042 28.738 -0.005 0.000 1.243 34 Q HN 0.999 nan 8.270 nan 0.000 0.415 35 G N 2.817 111.539 108.800 -0.129 0.000 3.324 35 G HA2 0.114 4.074 3.960 -0.000 0.000 0.251 35 G HA3 0.114 4.074 3.960 -0.000 0.000 0.251 35 G C -0.689 174.137 174.900 -0.123 0.000 1.072 35 G CA 0.235 45.253 45.100 -0.136 0.000 0.787 35 G HN 0.795 nan 8.290 nan 0.000 0.537 36 D N -1.166 119.178 120.400 -0.093 0.000 2.798 36 D HA 0.215 4.855 4.640 -0.000 0.000 0.308 36 D C 0.865 177.146 176.300 -0.032 0.000 1.187 36 D CA -0.867 53.090 54.000 -0.072 0.000 1.033 36 D CB 0.588 41.342 40.800 -0.076 0.000 1.445 36 D HN -0.175 nan 8.370 nan 0.000 0.550 37 L N 0.125 121.339 121.223 -0.015 0.000 2.131 37 L HA 0.100 4.440 4.340 -0.000 0.000 0.206 37 L C 1.684 178.555 176.870 0.002 0.000 1.087 37 L CA 1.797 56.639 54.840 0.003 0.000 0.767 37 L CB -0.131 41.934 42.059 0.011 0.000 0.917 37 L HN 0.537 nan 8.230 nan 0.000 0.441 38 V N -4.101 115.827 119.914 0.023 0.000 3.578 38 V HA 0.618 4.738 4.120 -0.000 0.000 0.290 38 V C 1.215 177.389 176.094 0.132 0.000 1.376 38 V CA 0.535 62.882 62.300 0.078 0.000 1.083 38 V CB 0.115 32.017 31.823 0.132 0.000 0.911 38 V HN 0.456 nan 8.190 nan 0.000 0.433 39 G N 2.114 110.939 108.800 0.042 0.000 2.296 39 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.188 39 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.188 39 G C 0.651 175.480 174.900 -0.118 0.000 1.000 39 G CA -0.071 45.048 45.100 0.031 0.000 0.672 39 G HN 0.804 nan 8.290 nan 0.000 0.483 40 R N -0.048 120.320 120.500 -0.219 0.000 3.585 40 R HA 0.770 5.110 4.340 -0.000 0.000 0.324 40 R C -0.025 176.138 176.300 -0.228 0.000 1.372 40 R CA 0.369 56.284 56.100 -0.307 0.000 1.291 40 R CB 0.453 30.456 30.300 -0.495 0.000 1.470 40 R HN 1.279 nan 8.270 nan 0.000 0.633 41 A N 1.742 124.428 122.820 -0.224 0.000 2.590 41 A HA 0.603 4.923 4.320 -0.000 0.000 0.296 41 A C -1.346 176.067 177.584 -0.286 0.000 1.050 41 A CA -0.873 51.021 52.037 -0.238 0.000 0.697 41 A CB 1.740 20.634 19.000 -0.176 0.000 1.277 41 A HN 0.264 nan 8.150 nan 0.000 0.411 42 M N 1.478 120.868 119.600 -0.350 0.000 2.593 42 M HA 0.562 5.042 4.480 -0.000 0.000 0.290 42 M C -1.276 174.842 176.300 -0.302 0.000 1.244 42 M CA -0.329 54.727 55.300 -0.406 0.000 0.857 42 M CB 1.875 34.042 32.600 -0.722 0.000 1.738 42 M HN 0.641 nan 8.290 nan 0.000 0.461 43 I N 3.579 124.007 120.570 -0.237 0.000 2.382 43 I HA 0.357 4.526 4.170 -0.000 0.000 0.285 43 I C -0.550 175.471 176.117 -0.160 0.000 1.007 43 I CA -0.643 60.565 61.300 -0.153 0.000 1.142 43 I CB 1.261 39.210 38.000 -0.085 0.000 1.289 43 I HN 0.389 nan 8.210 nan 0.000 0.453 44 I N 5.072 125.553 120.570 -0.148 0.000 2.353 44 I HA 0.397 4.567 4.170 -0.000 0.000 0.293 44 I C 0.131 176.285 176.117 0.062 0.000 0.992 44 I CA -0.124 61.095 61.300 -0.135 0.000 1.268 44 I CB 1.193 39.083 38.000 -0.184 0.000 1.387 44 I HN 0.449 nan 8.210 nan 0.000 0.478 45 S N 6.126 121.780 115.700 -0.077 0.000 2.536 45 S HA 0.785 5.255 4.470 -0.000 0.000 0.287 45 S C -0.998 173.503 174.600 -0.166 0.000 1.101 45 S CA -0.712 57.303 58.200 -0.308 0.000 0.950 45 S CB 2.261 65.038 63.200 -0.704 0.000 1.056 45 S HN 0.746 nan 8.310 nan 0.000 0.481 46 W N 0.026 121.084 121.300 -0.404 0.000 2.923 46 W HA 0.814 5.474 4.660 -0.000 0.000 0.373 46 W C -2.493 173.992 176.519 -0.058 0.000 1.205 46 W CA -1.055 56.174 57.345 -0.194 0.000 1.180 46 W CB 0.423 29.814 29.460 -0.115 0.000 1.477 46 W HN 0.454 nan 8.180 nan 0.000 0.581 47 V N 1.917 121.959 119.914 0.213 0.000 2.709 47 V HA 0.717 4.837 4.120 -0.000 0.000 0.308 47 V C -0.366 175.891 176.094 0.271 0.000 1.062 47 V CA -0.582 61.789 62.300 0.119 0.000 0.901 47 V CB 1.872 33.730 31.823 0.058 0.000 1.003 47 V HN 0.677 nan 8.190 nan 0.000 0.425 48 T N 1.996 116.721 114.554 0.286 0.000 2.829 48 T HA 0.624 4.974 4.350 -0.000 0.000 0.280 48 T C 0.330 175.179 174.700 0.248 0.000 0.999 48 T CA -0.753 61.515 62.100 0.281 0.000 0.983 48 T CB 1.856 70.934 68.868 0.350 0.000 0.968 48 T HN 0.436 nan 8.240 nan 0.000 0.446 49 M N 0.803 120.484 119.600 0.136 0.000 2.449 49 M HA 0.145 4.625 4.480 -0.000 0.000 0.262 49 M C 0.621 176.998 176.300 0.127 0.000 1.152 49 M CA 0.122 55.466 55.300 0.075 0.000 1.104 49 M CB -0.041 32.557 32.600 -0.002 0.000 1.416 49 M HN 0.606 nan 8.290 nan 0.000 0.519 50 D N 2.031 122.453 120.400 0.037 0.000 2.120 50 D HA -0.002 4.638 4.640 -0.000 0.000 0.202 50 D C 0.478 176.848 176.300 0.117 0.000 0.972 50 D CA 1.117 55.107 54.000 -0.016 0.000 0.837 50 D CB 0.401 40.939 40.800 -0.437 0.000 0.989 50 D HN 0.556 nan 8.370 nan 0.000 0.469 51 E N -1.768 118.463 120.200 0.052 0.000 2.423 51 E HA 0.266 4.616 4.350 -0.000 0.000 0.280 51 E C -2.591 173.751 176.600 -0.431 0.000 1.030 51 E CA -1.467 54.847 56.400 -0.144 0.000 0.812 51 E CB 1.796 31.474 29.700 -0.036 0.000 1.313 51 E HN -0.357 nan 8.360 nan 0.000 0.456 52 P HA -0.220 nan 4.420 nan 0.000 0.218 52 P C 0.665 177.915 177.300 -0.084 0.000 1.165 52 P CA 2.990 65.591 63.100 -0.832 0.000 0.922 52 P CB -0.255 31.058 31.700 -0.644 0.000 0.794 53 G N -2.016 106.764 108.800 -0.034 0.000 2.782 53 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.228 53 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.228 53 G C -0.179 174.800 174.900 0.132 0.000 1.372 53 G CA -0.267 44.883 45.100 0.083 0.000 0.862 53 G HN 0.419 nan 8.290 nan 0.000 0.547 54 S N -1.228 114.542 115.700 0.115 0.000 2.610 54 S HA 0.652 5.122 4.470 -0.000 0.000 0.273 54 S C 1.103 175.815 174.600 0.187 0.000 1.274 54 S CA 0.526 58.807 58.200 0.135 0.000 1.023 54 S CB 1.219 64.487 63.200 0.115 0.000 0.962 54 S HN 1.354 nan 8.310 nan 0.000 0.523 55 S N 2.403 118.242 115.700 0.232 0.000 2.574 55 S HA 0.423 4.893 4.470 -0.000 0.000 0.242 55 S C 0.226 175.028 174.600 0.338 0.000 0.982 55 S CA -0.370 58.010 58.200 0.300 0.000 0.977 55 S CB 0.143 63.475 63.200 0.219 0.000 0.814 55 S HN 0.831 nan 8.310 nan 0.000 0.464 56 A N 1.209 124.191 122.820 0.270 0.000 2.302 56 A HA 0.738 5.058 4.320 -0.000 0.000 0.285 56 A C -0.252 177.460 177.584 0.213 0.000 1.105 56 A CA -0.354 51.814 52.037 0.218 0.000 0.816 56 A CB 0.662 19.752 19.000 0.151 0.000 1.067 56 A HN 0.237 nan 8.150 nan 0.000 0.489 57 V N 1.942 121.980 119.914 0.207 0.000 2.588 57 V HA 0.522 4.642 4.120 -0.000 0.000 0.304 57 V C 0.056 176.329 176.094 0.297 0.000 1.042 57 V CA -0.636 61.771 62.300 0.178 0.000 0.877 57 V CB 1.727 33.639 31.823 0.148 0.000 0.996 57 V HN 0.995 nan 8.190 nan 0.000 0.425 58 R N 4.013 124.704 120.500 0.319 0.000 2.393 58 R HA 0.691 5.031 4.340 -0.000 0.000 0.310 58 R C -1.606 175.049 176.300 0.591 0.000 0.968 58 R CA -0.395 55.947 56.100 0.403 0.000 0.867 58 R CB 1.371 31.862 30.300 0.318 0.000 1.124 58 R HN 0.783 nan 8.270 nan 0.000 0.450 59 Y N 1.391 121.940 120.300 0.416 0.000 2.597 59 Y HA 0.767 5.316 4.550 -0.000 0.000 0.340 59 Y C -1.891 174.344 175.900 0.558 0.000 1.097 59 Y CA -1.711 56.587 58.100 0.330 0.000 1.037 59 Y CB 0.977 39.549 38.460 0.188 0.000 1.305 59 Y HN 0.730 nan 8.280 nan 0.000 0.463 60 W N 0.618 122.117 121.300 0.332 0.000 3.363 60 W HA 0.749 5.409 4.660 -0.000 0.000 0.306 60 W C -1.651 174.981 176.519 0.189 0.000 1.253 60 W CA -1.164 56.292 57.345 0.184 0.000 1.195 60 W CB 0.738 30.228 29.460 0.051 0.000 1.366 60 W HN 0.814 nan 8.180 nan 0.000 0.551 61 S N 0.168 115.900 115.700 0.054 0.000 2.617 61 S HA 0.185 4.655 4.470 -0.000 0.000 0.269 61 S C 0.698 175.280 174.600 -0.031 0.000 1.292 61 S CA 0.098 58.043 58.200 -0.424 0.000 1.010 61 S CB 1.983 64.830 63.200 -0.589 0.000 0.944 61 S HN 0.795 nan 8.310 nan 0.000 0.536 62 E N 1.627 121.784 120.200 -0.072 0.000 2.058 62 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 62 E C 1.744 178.405 176.600 0.102 0.000 0.997 62 E CA 1.712 58.195 56.400 0.140 0.000 0.801 62 E CB -0.145 29.611 29.700 0.094 0.000 0.746 62 E HN 0.822 nan 8.360 nan 0.000 0.450 63 K N 0.645 121.058 120.400 0.021 0.000 1.964 63 K HA -0.135 4.185 4.320 -0.000 0.000 0.218 63 K C 1.330 177.957 176.600 0.044 0.000 1.043 63 K CA 1.356 57.658 56.287 0.025 0.000 0.966 63 K CB -0.644 31.858 32.500 0.002 0.000 0.739 63 K HN -0.024 nan 8.250 nan 0.000 0.443 64 N N 1.483 120.206 118.700 0.039 0.000 2.739 64 N HA 0.012 4.752 4.740 -0.000 0.000 0.266 64 N C 0.298 175.869 175.510 0.101 0.000 1.168 64 N CA -0.220 52.863 53.050 0.056 0.000 1.055 64 N CB 0.483 39.003 38.487 0.055 0.000 1.393 64 N HN 0.485 nan 8.380 nan 0.000 0.514 65 G N 2.349 111.212 108.800 0.105 0.000 2.894 65 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.203 65 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.203 65 G C 0.747 175.668 174.900 0.035 0.000 1.173 65 G CA -0.157 45.026 45.100 0.138 0.000 0.854 65 G HN 0.670 nan 8.290 nan 0.000 0.510 66 R N 0.610 121.147 120.500 0.062 0.000 2.370 66 R HA 0.223 4.563 4.340 -0.000 0.000 0.309 66 R C -0.290 176.033 176.300 0.038 0.000 1.059 66 R CA -0.304 55.800 56.100 0.008 0.000 0.981 66 R CB 0.373 30.683 30.300 0.016 0.000 0.972 66 R HN 0.020 nan 8.270 nan 0.000 0.437 67 K N 4.956 125.319 120.400 -0.063 0.000 2.276 67 K HA 0.214 4.534 4.320 -0.000 0.000 0.285 67 K C -0.257 176.292 176.600 -0.084 0.000 1.062 67 K CA -0.333 55.930 56.287 -0.039 0.000 0.918 67 K CB 1.379 33.760 32.500 -0.198 0.000 1.055 67 K HN 0.533 nan 8.250 nan 0.000 0.477 68 R N 1.949 122.325 120.500 -0.206 0.000 2.902 68 R HA 0.587 4.926 4.340 -0.000 0.000 0.258 68 R C -0.373 175.817 176.300 -0.184 0.000 1.071 68 R CA -0.777 55.160 56.100 -0.272 0.000 1.024 68 R CB 1.418 31.426 30.300 -0.487 0.000 1.184 68 R HN 0.464 nan 8.270 nan 0.000 0.492 69 I N 0.894 121.467 120.570 0.004 0.000 2.533 69 I HA 0.461 4.631 4.170 -0.000 0.000 0.290 69 I C -0.856 175.410 176.117 0.249 0.000 1.056 69 I CA -0.746 60.650 61.300 0.160 0.000 1.057 69 I CB 2.116 40.180 38.000 0.107 0.000 1.240 69 I HN 0.650 nan 8.210 nan 0.000 0.423 70 A N 6.652 129.663 122.820 0.319 0.000 2.337 70 A HA 0.701 5.021 4.320 -0.000 0.000 0.329 70 A C -0.780 176.908 177.584 0.174 0.000 1.146 70 A CA -0.621 51.556 52.037 0.233 0.000 0.800 70 A CB 1.461 20.576 19.000 0.192 0.000 1.220 70 A HN 0.509 nan 8.150 nan 0.000 0.472 71 K N 1.458 121.935 120.400 0.129 0.000 2.274 71 K HA 0.592 4.911 4.320 -0.000 0.000 0.262 71 K C 0.322 176.980 176.600 0.097 0.000 0.961 71 K CA 0.028 56.386 56.287 0.118 0.000 0.833 71 K CB 1.558 34.113 32.500 0.092 0.000 1.102 71 K HN 0.926 nan 8.250 nan 0.000 0.436 72 G N 2.086 110.954 108.800 0.113 0.000 2.940 72 G HA2 0.420 4.380 3.960 -0.000 0.000 0.164 72 G HA3 0.420 4.380 3.960 -0.000 0.000 0.164 72 G C -0.757 174.167 174.900 0.040 0.000 1.326 72 G CA -0.065 45.077 45.100 0.070 0.000 1.020 72 G HN 0.344 nan 8.290 nan 0.000 0.586 73 K N -0.338 120.062 120.400 -0.001 0.000 2.443 73 K HA 0.541 4.861 4.320 -0.000 0.000 0.251 73 K C -1.128 175.401 176.600 -0.119 0.000 0.972 73 K CA -0.702 55.568 56.287 -0.028 0.000 0.833 73 K CB 2.070 34.564 32.500 -0.009 0.000 1.317 73 K HN 0.444 nan 8.250 nan 0.000 0.441 74 M N 1.515 121.031 119.600 -0.141 0.000 2.535 74 M HA 0.442 4.921 4.480 -0.000 0.000 0.314 74 M C -1.080 175.119 176.300 -0.170 0.000 1.153 74 M CA -0.250 54.866 55.300 -0.307 0.000 0.924 74 M CB 1.742 34.150 32.600 -0.320 0.000 1.710 74 M HN 0.690 nan 8.290 nan 0.000 0.451 75 S N 1.849 117.440 115.700 -0.182 0.000 2.596 75 S HA 0.898 5.368 4.470 -0.000 0.000 0.270 75 S C -0.774 173.809 174.600 -0.028 0.000 1.155 75 S CA -0.634 57.556 58.200 -0.016 0.000 0.827 75 S CB 1.986 65.257 63.200 0.118 0.000 1.130 75 S HN 0.839 nan 8.310 nan 0.000 0.467 76 T N -1.184 113.373 114.554 0.005 0.000 2.864 76 T HA 0.838 5.188 4.350 -0.000 0.000 0.299 76 T C -1.251 173.348 174.700 -0.168 0.000 1.166 76 T CA -0.809 61.213 62.100 -0.130 0.000 1.007 76 T CB 1.342 70.105 68.868 -0.176 0.000 1.219 76 T HN 1.580 nan 8.240 nan 0.000 0.506 77 Y N -1.255 118.798 120.300 -0.412 0.000 2.655 77 Y HA 0.846 5.396 4.550 -0.000 0.000 0.336 77 Y C -1.270 174.491 175.900 -0.232 0.000 1.154 77 Y CA -1.508 56.300 58.100 -0.487 0.000 1.055 77 Y CB 1.506 39.314 38.460 -1.086 0.000 1.295 77 Y HN 0.826 nan 8.280 nan 0.000 0.465 78 R N 1.348 121.817 120.500 -0.053 0.000 2.686 78 R HA 0.439 4.779 4.340 -0.000 0.000 0.286 78 R C -1.006 175.454 176.300 0.267 0.000 0.969 78 R CA -0.670 55.408 56.100 -0.037 0.000 0.898 78 R CB 2.121 32.377 30.300 -0.073 0.000 1.183 78 R HN 0.786 nan 8.270 nan 0.000 0.456 79 F N 1.128 121.231 119.950 0.255 0.000 2.394 79 F HA 0.244 4.771 4.527 -0.000 0.000 0.269 79 F C 0.844 176.805 175.800 0.270 0.000 1.012 79 F CA 0.577 58.752 58.000 0.293 0.000 1.138 79 F CB 0.109 39.296 39.000 0.312 0.000 1.140 79 F HN 0.484 nan 8.300 nan 0.000 0.623 80 F N 0.920 120.892 119.950 0.036 0.000 1.996 80 F HA 0.210 4.737 4.527 -0.000 0.000 0.222 80 F C 1.093 176.888 175.800 -0.009 0.000 1.203 80 F CA 0.284 58.206 58.000 -0.129 0.000 1.296 80 F CB -0.782 38.150 39.000 -0.113 0.000 1.782 80 F HN -0.024 nan 8.300 nan 0.000 0.334 81 N N 0.160 118.720 118.700 -0.234 0.000 2.276 81 N HA 0.031 4.771 4.740 -0.000 0.000 0.212 81 N C -0.726 174.784 175.510 0.001 0.000 1.127 81 N CA -0.140 52.733 53.050 -0.294 0.000 0.834 81 N CB -0.767 37.503 38.487 -0.361 0.000 1.014 81 N HN 0.462 nan 8.380 nan 0.000 0.491 82 Y N 0.833 121.138 120.300 0.008 0.000 2.419 82 Y HA 0.602 5.152 4.550 -0.000 0.000 0.328 82 Y C -0.708 175.119 175.900 -0.120 0.000 1.162 82 Y CA -0.839 57.259 58.100 -0.004 0.000 1.174 82 Y CB 1.634 40.162 38.460 0.114 0.000 1.228 82 Y HN -0.019 nan 8.280 nan 0.000 0.473 83 S N 3.145 118.188 115.700 -1.096 0.000 2.677 83 S HA 0.331 4.801 4.470 -0.000 0.000 0.283 83 S C -0.844 172.956 174.600 -1.333 0.000 1.159 83 S CA -0.930 56.705 58.200 -0.942 0.000 1.001 83 S CB 0.985 63.852 63.200 -0.555 0.000 1.032 83 S HN 0.853 nan 8.310 nan 0.000 0.487 84 S N 2.705 117.733 115.700 -1.120 0.000 2.606 84 S HA 0.659 5.129 4.470 -0.000 0.000 0.257 84 S C 0.891 175.044 174.600 -0.746 0.000 1.327 84 S CA -0.114 57.582 58.200 -0.840 0.000 0.984 84 S CB 0.219 62.956 63.200 -0.771 0.000 0.941 84 S HN 0.853 nan 8.310 nan 0.000 0.576 85 G N -0.630 107.812 108.800 -0.597 0.000 2.714 85 G HA2 0.553 4.513 3.960 -0.000 0.000 0.197 85 G HA3 0.553 4.513 3.960 -0.000 0.000 0.197 85 G C -1.079 173.254 174.900 -0.944 0.000 1.449 85 G CA -0.987 43.641 45.100 -0.787 0.000 1.065 85 G HN 0.583 nan 8.290 nan 0.000 0.575 86 F N 0.481 120.328 119.950 -0.171 0.000 2.361 86 F HA 0.471 4.998 4.527 -0.000 0.000 0.364 86 F C 0.383 175.922 175.800 -0.436 0.000 1.117 86 F CA -0.575 57.250 58.000 -0.291 0.000 1.071 86 F CB 1.209 40.063 39.000 -0.244 0.000 1.188 86 F HN 0.001 nan 8.300 nan 0.000 0.464 87 I N 4.017 124.357 120.570 -0.384 0.000 2.395 87 I HA 0.260 4.430 4.170 -0.000 0.000 0.289 87 I C -0.409 175.201 176.117 -0.844 0.000 1.023 87 I CA -0.326 60.671 61.300 -0.505 0.000 1.350 87 I CB 0.663 38.460 38.000 -0.340 0.000 1.409 87 I HN 0.554 nan 8.210 nan 0.000 0.507 88 H N 4.144 122.605 119.070 -1.014 0.000 2.622 88 H HA 0.590 5.146 4.556 -0.000 0.000 0.363 88 H C -0.919 173.625 175.328 -1.307 0.000 1.151 88 H CA -0.655 54.676 56.048 -1.196 0.000 1.184 88 H CB 1.451 30.064 29.762 -1.915 0.000 1.643 88 H HN 0.430 nan 8.280 nan 0.000 0.531 89 H N 1.331 120.100 119.070 -0.502 0.000 3.018 89 H HA 0.351 4.907 4.556 -0.000 0.000 0.334 89 H C -0.968 174.257 175.328 -0.172 0.000 0.983 89 H CA -0.518 55.308 56.048 -0.369 0.000 1.363 89 H CB 1.805 31.290 29.762 -0.461 0.000 1.668 89 H HN 0.592 nan 8.280 nan 0.000 0.513 90 T N 2.713 117.304 114.554 0.062 0.000 2.881 90 T HA 0.295 4.645 4.350 -0.000 0.000 0.290 90 T C 0.007 174.712 174.700 0.009 0.000 1.000 90 T CA -0.556 61.593 62.100 0.081 0.000 0.978 90 T CB 1.608 70.605 68.868 0.214 0.000 0.997 90 T HN 0.392 nan 8.240 nan 0.000 0.443 91 T N 3.929 118.463 114.554 -0.032 0.000 2.743 91 T HA 0.502 4.852 4.350 -0.000 0.000 0.292 91 T C 0.321 174.946 174.700 -0.125 0.000 0.972 91 T CA -0.444 61.597 62.100 -0.097 0.000 0.967 91 T CB 0.170 68.979 68.868 -0.097 0.000 0.926 91 T HN 0.417 nan 8.240 nan 0.000 0.459 92 I N 4.934 125.370 120.570 -0.224 0.000 2.395 92 I HA 0.439 4.609 4.170 -0.000 0.000 0.289 92 I C 0.843 176.801 176.117 -0.265 0.000 1.023 92 I CA -0.565 60.540 61.300 -0.324 0.000 1.350 92 I CB 0.666 38.308 38.000 -0.597 0.000 1.409 92 I HN 0.579 nan 8.210 nan 0.000 0.507 93 R N 4.391 124.787 120.500 -0.172 0.000 2.950 93 R HA 0.580 4.920 4.340 -0.000 0.000 0.253 93 R C -0.604 175.644 176.300 -0.087 0.000 1.168 93 R CA -1.083 54.937 56.100 -0.133 0.000 1.014 93 R CB 0.754 31.002 30.300 -0.088 0.000 1.228 93 R HN 0.340 nan 8.270 nan 0.000 0.487 94 K N 0.738 121.089 120.400 -0.082 0.000 3.096 94 K HA -0.158 4.162 4.320 -0.000 0.000 0.266 94 K C -0.449 176.133 176.600 -0.030 0.000 1.043 94 K CA 0.482 56.742 56.287 -0.046 0.000 0.758 94 K CB -1.436 31.070 32.500 0.010 0.000 1.260 94 K HN 0.447 nan 8.250 nan 0.000 0.481 95 L N 0.507 121.662 121.223 -0.112 0.000 2.456 95 L HA 0.244 4.584 4.340 -0.000 0.000 0.257 95 L C 0.900 177.763 176.870 -0.012 0.000 1.162 95 L CA -0.366 54.427 54.840 -0.079 0.000 0.808 95 L CB 0.466 42.371 42.059 -0.258 0.000 1.136 95 L HN 0.052 nan 8.230 nan 0.000 0.466 96 K N 0.581 121.105 120.400 0.208 0.000 2.143 96 K HA 0.340 4.660 4.320 -0.000 0.000 0.272 96 K C -1.063 175.648 176.600 0.186 0.000 1.001 96 K CA -0.583 55.805 56.287 0.169 0.000 0.915 96 K CB 1.037 33.677 32.500 0.233 0.000 1.047 96 K HN 0.196 nan 8.250 nan 0.000 0.458 97 Y N 1.325 121.721 120.300 0.161 0.000 2.426 97 Y HA -0.109 4.441 4.550 -0.000 0.000 0.344 97 Y C 1.118 177.109 175.900 0.151 0.000 1.256 97 Y CA 0.312 58.498 58.100 0.144 0.000 1.451 97 Y CB 0.254 38.775 38.460 0.102 0.000 1.342 97 Y HN 0.742 nan 8.280 nan 0.000 0.600 98 N N 0.260 119.167 118.700 0.346 0.000 2.714 98 N HA -0.218 4.522 4.740 -0.000 0.000 0.252 98 N C -0.997 174.621 175.510 0.179 0.000 1.014 98 N CA 1.143 54.334 53.050 0.235 0.000 0.735 98 N CB -0.793 37.802 38.487 0.181 0.000 0.924 98 N HN 0.840 nan 8.380 nan 0.000 0.540 99 T N -2.651 112.026 114.554 0.206 0.000 2.903 99 T HA 0.474 4.824 4.350 -0.000 0.000 0.299 99 T C -0.449 174.276 174.700 0.042 0.000 1.093 99 T CA -0.998 61.147 62.100 0.075 0.000 1.002 99 T CB 1.946 70.804 68.868 -0.015 0.000 1.127 99 T HN 0.308 nan 8.240 nan 0.000 0.488 100 K N 1.918 122.237 120.400 -0.134 0.000 2.205 100 K HA 0.484 4.804 4.320 -0.000 0.000 0.279 100 K C -1.522 174.778 176.600 -0.501 0.000 1.027 100 K CA -0.569 55.583 56.287 -0.225 0.000 0.932 100 K CB 0.534 32.887 32.500 -0.246 0.000 1.032 100 K HN 0.666 nan 8.250 nan 0.000 0.466 101 Y N 2.012 121.949 120.300 -0.605 0.000 2.499 101 Y HA 0.321 4.871 4.550 -0.000 0.000 0.347 101 Y C -0.995 174.300 175.900 -1.009 0.000 0.987 101 Y CA -0.668 56.989 58.100 -0.739 0.000 1.044 101 Y CB 1.531 39.426 38.460 -0.941 0.000 1.245 101 Y HN 0.463 nan 8.280 nan 0.000 0.461 102 Y N 1.990 121.884 120.300 -0.678 0.000 2.446 102 Y HA 0.493 5.043 4.550 -0.000 0.000 0.338 102 Y C -0.815 174.679 175.900 -0.678 0.000 1.055 102 Y CA -1.116 56.508 58.100 -0.793 0.000 1.101 102 Y CB 1.501 39.174 38.460 -1.312 0.000 1.221 102 Y HN 0.497 nan 8.280 nan 0.000 0.460 103 Y N -1.234 118.903 120.300 -0.271 0.000 2.524 103 Y HA 0.775 5.325 4.550 -0.000 0.000 0.347 103 Y C -1.320 174.617 175.900 0.062 0.000 1.005 103 Y CA -1.394 56.670 58.100 -0.061 0.000 1.025 103 Y CB 1.524 40.018 38.460 0.057 0.000 1.275 103 Y HN 0.548 nan 8.280 nan 0.000 0.460 104 E N 2.314 122.664 120.200 0.250 0.000 2.238 104 E HA 0.706 5.056 4.350 -0.000 0.000 0.267 104 E C -1.679 174.966 176.600 0.075 0.000 0.887 104 E CA -1.281 55.200 56.400 0.133 0.000 0.769 104 E CB 3.269 33.090 29.700 0.201 0.000 1.187 104 E HN 0.560 nan 8.360 nan 0.000 0.416 105 V N 0.833 120.700 119.914 -0.079 0.000 2.925 105 V HA 0.644 4.764 4.120 -0.000 0.000 0.311 105 V C 0.039 175.963 176.094 -0.284 0.000 1.104 105 V CA 0.432 62.503 62.300 -0.381 0.000 0.954 105 V CB 1.950 33.340 31.823 -0.721 0.000 1.022 105 V HN 0.927 nan 8.190 nan 0.000 0.427 106 G N 4.282 112.933 108.800 -0.249 0.000 2.255 106 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.239 106 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.239 106 G C 0.342 175.234 174.900 -0.014 0.000 1.083 106 G CA 0.286 45.340 45.100 -0.077 0.000 0.826 106 G HN 0.766 nan 8.290 nan 0.000 0.493 107 L N -1.256 119.969 121.223 0.005 0.000 2.083 107 L HA -0.063 4.276 4.340 -0.000 0.000 0.209 107 L C 3.097 179.990 176.870 0.037 0.000 1.083 107 L CA 1.915 56.772 54.840 0.027 0.000 0.752 107 L CB -0.461 41.625 42.059 0.045 0.000 0.899 107 L HN 0.384 nan 8.230 nan 0.000 0.433 108 R N 0.059 120.590 120.500 0.051 0.000 2.055 108 R HA -0.078 4.262 4.340 -0.000 0.000 0.228 108 R C 1.758 178.100 176.300 0.071 0.000 1.143 108 R CA 1.876 58.012 56.100 0.059 0.000 0.945 108 R CB -0.056 30.286 30.300 0.070 0.000 0.841 108 R HN 0.417 nan 8.270 nan 0.000 0.429 109 N N -1.118 117.638 118.700 0.094 0.000 2.395 109 N HA -0.038 4.702 4.740 -0.000 0.000 0.237 109 N C -0.005 175.558 175.510 0.088 0.000 1.063 109 N CA 0.704 53.830 53.050 0.127 0.000 1.187 109 N CB 0.100 38.742 38.487 0.259 0.000 1.551 109 N HN 0.029 nan 8.380 nan 0.000 0.621 110 T N 0.291 114.891 114.554 0.077 0.000 2.743 110 T HA 0.375 4.725 4.350 -0.000 0.000 0.292 110 T C -0.514 174.191 174.700 0.008 0.000 0.972 110 T CA -0.682 61.444 62.100 0.043 0.000 0.967 110 T CB 0.456 69.356 68.868 0.052 0.000 0.926 110 T HN -0.015 nan 8.240 nan 0.000 0.459 111 T N 5.633 120.183 114.554 -0.007 0.000 2.869 111 T HA 0.445 4.795 4.350 -0.000 0.000 0.295 111 T C 0.199 174.857 174.700 -0.070 0.000 0.987 111 T CA -0.457 61.623 62.100 -0.033 0.000 1.109 111 T CB 0.395 69.253 68.868 -0.018 0.000 0.932 111 T HN 0.609 nan 8.240 nan 0.000 0.518 112 R N 1.520 121.954 120.500 -0.110 0.000 2.621 112 R HA 0.534 4.874 4.340 -0.000 0.000 0.292 112 R C -0.414 175.665 176.300 -0.369 0.000 0.969 112 R CA -0.904 55.049 56.100 -0.244 0.000 0.887 112 R CB 2.362 32.540 30.300 -0.204 0.000 1.180 112 R HN 0.473 nan 8.270 nan 0.000 0.450 113 R N 2.937 123.095 120.500 -0.570 0.000 2.460 113 R HA 0.530 4.870 4.340 -0.000 0.000 0.303 113 R C -1.234 174.511 176.300 -0.925 0.000 0.968 113 R CA -0.184 55.611 56.100 -0.507 0.000 0.889 113 R CB 0.785 30.973 30.300 -0.187 0.000 1.123 113 R HN 0.430 nan 8.270 nan 0.000 0.455 114 F N 0.189 119.800 119.950 -0.564 0.000 2.824 114 F HA 0.542 5.069 4.527 -0.000 0.000 0.330 114 F C -0.246 175.279 175.800 -0.460 0.000 1.175 114 F CA -0.621 57.028 58.000 -0.585 0.000 0.974 114 F CB 2.158 40.424 39.000 -1.224 0.000 1.430 114 F HN 0.659 nan 8.300 nan 0.000 0.507 115 S N 0.212 115.947 115.700 0.058 0.000 2.596 115 S HA 0.890 5.360 4.470 -0.000 0.000 0.270 115 S C -1.539 173.196 174.600 0.225 0.000 1.155 115 S CA -0.768 57.364 58.200 -0.114 0.000 0.827 115 S CB 2.496 65.433 63.200 -0.439 0.000 1.130 115 S HN 0.912 nan 8.310 nan 0.000 0.467 116 F N -1.339 118.696 119.950 0.141 0.000 2.711 116 F HA 0.837 5.363 4.527 -0.000 0.000 0.313 116 F C -1.966 173.904 175.800 0.118 0.000 1.141 116 F CA -1.639 56.460 58.000 0.164 0.000 0.941 116 F CB 0.730 39.829 39.000 0.165 0.000 1.349 116 F HN 0.597 nan 8.300 nan 0.000 0.464 117 I N 2.010 122.867 120.570 0.479 0.000 2.439 117 I HA 0.350 4.520 4.170 -0.000 0.000 0.285 117 I C -0.215 176.147 176.117 0.408 0.000 1.021 117 I CA -0.907 60.605 61.300 0.354 0.000 1.091 117 I CB 2.292 40.407 38.000 0.193 0.000 1.242 117 I HN 0.839 nan 8.210 nan 0.000 0.439 118 T N 4.496 119.315 114.554 0.443 0.000 2.932 118 T HA 0.223 4.573 4.350 -0.000 0.000 0.312 118 T C -2.173 172.704 174.700 0.294 0.000 1.071 118 T CA -1.009 61.284 62.100 0.322 0.000 1.128 118 T CB 0.465 69.510 68.868 0.294 0.000 0.984 118 T HN 0.340 nan 8.240 nan 0.000 0.549 119 P HA 0.335 nan 4.420 nan 0.000 0.277 119 P C -2.677 174.815 177.300 0.320 0.000 1.271 119 P CA -1.883 61.388 63.100 0.285 0.000 0.795 119 P CB -0.188 31.571 31.700 0.099 0.000 1.101 120 P HA 0.137 nan 4.420 nan 0.000 0.276 120 P C -0.120 177.111 177.300 -0.114 0.000 1.244 120 P CA -0.200 62.963 63.100 0.105 0.000 0.801 120 P CB 0.504 32.260 31.700 0.094 0.000 1.006 121 Q N 0.381 119.861 119.800 -0.534 0.000 2.395 121 Q HA 0.068 4.408 4.340 -0.000 0.000 0.271 121 Q C -0.293 175.492 176.000 -0.358 0.000 1.026 121 Q CA 0.200 55.393 55.803 -1.016 0.000 0.900 121 Q CB 0.075 28.238 28.738 -0.959 0.000 1.266 121 Q HN 0.391 nan 8.270 nan 0.000 0.430 122 T N 2.149 116.564 114.554 -0.232 0.000 2.908 122 T HA 0.392 4.741 4.350 -0.000 0.000 0.301 122 T C 0.099 174.774 174.700 -0.042 0.000 1.019 122 T CA 0.309 62.373 62.100 -0.059 0.000 1.152 122 T CB 0.509 69.377 68.868 0.000 0.000 0.966 122 T HN 0.711 nan 8.240 nan 0.000 0.540 123 G N 1.095 109.902 108.800 0.012 0.000 2.646 123 G HA2 0.467 4.427 3.960 -0.000 0.000 0.291 123 G HA3 0.467 4.427 3.960 -0.000 0.000 0.291 123 G C 0.105 175.034 174.900 0.049 0.000 1.445 123 G CA -0.800 44.309 45.100 0.016 0.000 0.814 123 G HN 0.546 nan 8.290 nan 0.000 0.495 124 L N -0.112 121.118 121.223 0.012 0.000 2.046 124 L HA 0.146 4.486 4.340 -0.000 0.000 0.208 124 L C 1.323 178.186 176.870 -0.012 0.000 1.077 124 L CA 1.865 56.686 54.840 -0.033 0.000 0.747 124 L CB -0.043 41.934 42.059 -0.136 0.000 0.896 124 L HN 0.567 nan 8.230 nan 0.000 0.432 125 D N -0.871 119.529 120.400 0.001 0.000 2.559 125 D HA 0.149 4.789 4.640 -0.000 0.000 0.234 125 D C -0.304 176.051 176.300 0.093 0.000 1.226 125 D CA 0.038 54.065 54.000 0.045 0.000 0.830 125 D CB 0.738 41.534 40.800 -0.006 0.000 1.028 125 D HN 0.011 nan 8.370 nan 0.000 0.492 126 V N 3.980 123.963 119.914 0.115 0.000 2.427 126 V HA 0.180 4.300 4.120 -0.000 0.000 0.268 126 V C -1.813 174.388 176.094 0.179 0.000 1.046 126 V CA -1.155 61.218 62.300 0.122 0.000 0.970 126 V CB 1.098 32.982 31.823 0.101 0.000 1.001 126 V HN 0.034 nan 8.190 nan 0.000 0.476 127 P HA 0.390 nan 4.420 nan 0.000 0.276 127 P C -1.382 176.036 177.300 0.198 0.000 1.244 127 P CA -0.340 62.852 63.100 0.153 0.000 0.801 127 P CB 1.221 32.975 31.700 0.090 0.000 1.006 128 Y N -0.921 119.357 120.300 -0.037 0.000 2.573 128 Y HA 0.346 4.896 4.550 -0.000 0.000 0.328 128 Y C -1.052 174.714 175.900 -0.223 0.000 1.170 128 Y CA -0.361 57.643 58.100 -0.159 0.000 1.078 128 Y CB 1.767 40.106 38.460 -0.203 0.000 1.341 128 Y HN 0.465 nan 8.280 nan 0.000 0.459 129 T N 4.804 119.022 114.554 -0.559 0.000 2.809 129 T HA 0.681 5.031 4.350 -0.000 0.000 0.284 129 T C -1.413 173.101 174.700 -0.311 0.000 0.992 129 T CA -0.198 61.727 62.100 -0.291 0.000 0.957 129 T CB -0.031 68.712 68.868 -0.210 0.000 0.942 129 T HN 0.318 nan 8.240 nan 0.000 0.439 130 F N 2.524 122.544 119.950 0.117 0.000 2.425 130 F HA 0.686 5.213 4.527 -0.000 0.000 0.331 130 F C 1.193 177.028 175.800 0.057 0.000 1.085 130 F CA -0.482 57.582 58.000 0.106 0.000 1.028 130 F CB 1.735 40.789 39.000 0.089 0.000 1.177 130 F HN 0.796 nan 8.300 nan 0.000 0.487 131 G N 1.861 110.769 108.800 0.180 0.000 2.410 131 G HA2 0.638 4.598 3.960 -0.000 0.000 0.330 131 G HA3 0.638 4.598 3.960 -0.000 0.000 0.330 131 G C -1.690 173.100 174.900 -0.184 0.000 1.142 131 G CA -0.590 44.523 45.100 0.022 0.000 0.902 131 G HN 0.504 nan 8.290 nan 0.000 0.491 132 L N 1.806 122.937 121.223 -0.153 0.000 2.342 132 L HA 0.513 4.853 4.340 -0.000 0.000 0.276 132 L C -0.322 176.451 176.870 -0.162 0.000 0.997 132 L CA -0.218 54.485 54.840 -0.229 0.000 0.838 132 L CB 1.456 43.382 42.059 -0.222 0.000 1.224 132 L HN 0.322 nan 8.230 nan 0.000 0.416 133 I N 2.193 122.602 120.570 -0.267 0.000 2.545 133 I HA 0.758 4.928 4.170 -0.000 0.000 0.292 133 I C 0.132 176.035 176.117 -0.356 0.000 1.040 133 I CA -0.626 60.551 61.300 -0.206 0.000 1.068 133 I CB 2.253 40.105 38.000 -0.246 0.000 1.251 133 I HN 0.613 nan 8.210 nan 0.000 0.424 134 G N 1.932 110.606 108.800 -0.210 0.000 2.667 134 G HA2 0.499 4.459 3.960 -0.000 0.000 0.298 134 G HA3 0.499 4.459 3.960 -0.000 0.000 0.298 134 G C -1.020 173.868 174.900 -0.020 0.000 1.377 134 G CA -0.417 44.515 45.100 -0.280 0.000 0.964 134 G HN 0.720 nan 8.290 nan 0.000 0.493 135 D N -0.369 120.078 120.400 0.079 0.000 2.689 135 D HA -0.183 4.456 4.640 -0.000 0.000 0.237 135 D C 1.451 177.963 176.300 0.353 0.000 1.148 135 D CA 0.639 54.851 54.000 0.354 0.000 0.656 135 D CB -0.487 40.537 40.800 0.373 0.000 1.050 135 D HN 0.335 nan 8.370 nan 0.000 0.426 136 L N 0.244 121.795 121.223 0.545 0.000 1.961 136 L HA 0.089 4.429 4.340 -0.000 0.000 0.210 136 L C 1.779 178.952 176.870 0.505 0.000 1.072 136 L CA 2.797 57.996 54.840 0.598 0.000 0.749 136 L CB -0.901 41.747 42.059 0.982 0.000 0.889 136 L HN 0.605 nan 8.230 nan 0.000 0.432 137 G N -0.863 108.317 108.800 0.634 0.000 2.645 137 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.246 137 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.246 137 G C -0.126 175.120 174.900 0.578 0.000 1.322 137 G CA 0.288 45.651 45.100 0.439 0.000 0.898 137 G HN 0.877 nan 8.290 nan 0.000 0.573 138 Q N -1.122 118.863 119.800 0.308 0.000 2.227 138 Q HA 0.534 4.874 4.340 -0.000 0.000 0.332 138 Q C 0.443 176.394 176.000 -0.082 0.000 0.878 138 Q CA 0.233 56.145 55.803 0.183 0.000 1.120 138 Q CB 0.419 29.363 28.738 0.345 0.000 1.315 138 Q HN 1.236 nan 8.270 nan 0.000 0.414 139 S N -0.869 114.760 115.700 -0.118 0.000 2.686 139 S HA 0.408 4.878 4.470 -0.000 0.000 0.270 139 S C 0.535 174.961 174.600 -0.289 0.000 1.194 139 S CA -0.615 57.466 58.200 -0.200 0.000 0.990 139 S CB 0.188 63.309 63.200 -0.132 0.000 1.029 139 S HN 0.278 nan 8.310 nan 0.000 0.560 140 F N 0.858 120.727 119.950 -0.135 0.000 2.234 140 F HA -0.027 4.500 4.527 -0.000 0.000 0.299 140 F C 2.336 178.047 175.800 -0.150 0.000 1.087 140 F CA 1.259 59.173 58.000 -0.143 0.000 1.340 140 F CB -0.529 38.413 39.000 -0.098 0.000 1.031 140 F HN 0.533 nan 8.300 nan 0.000 0.500 141 D N -0.131 120.252 120.400 -0.028 0.000 2.123 141 D HA -0.145 4.495 4.640 -0.000 0.000 0.196 141 D C 2.315 178.509 176.300 -0.176 0.000 0.992 141 D CA 1.711 55.574 54.000 -0.228 0.000 0.833 141 D CB -0.330 40.065 40.800 -0.676 0.000 0.954 141 D HN 0.217 nan 8.370 nan 0.000 0.455 142 S N 1.042 116.670 115.700 -0.121 0.000 2.370 142 S HA -0.195 4.275 4.470 -0.000 0.000 0.226 142 S C 1.728 176.468 174.600 0.233 0.000 1.033 142 S CA 1.066 59.318 58.200 0.087 0.000 1.011 142 S CB -0.349 62.959 63.200 0.180 0.000 0.852 142 S HN 0.233 nan 8.310 nan 0.000 0.457 143 N N 1.216 119.970 118.700 0.090 0.000 2.166 143 N HA -0.095 4.645 4.740 -0.000 0.000 0.186 143 N C 1.591 177.203 175.510 0.171 0.000 1.019 143 N CA 1.867 55.014 53.050 0.162 0.000 0.856 143 N CB -0.672 37.796 38.487 -0.032 0.000 0.993 143 N HN 0.333 nan 8.380 nan 0.000 0.426 144 T N -0.694 113.908 114.554 0.080 0.000 2.701 144 T HA -0.094 4.256 4.350 -0.000 0.000 0.263 144 T C 1.706 176.405 174.700 -0.000 0.000 1.040 144 T CA 1.961 64.081 62.100 0.034 0.000 1.147 144 T CB -0.847 67.996 68.868 -0.043 0.000 0.865 144 T HN 0.326 nan 8.240 nan 0.000 0.426 145 T N 2.635 117.180 114.554 -0.015 0.000 2.665 145 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 145 T C 1.885 176.633 174.700 0.080 0.000 1.035 145 T CA 1.114 63.225 62.100 0.018 0.000 1.151 145 T CB -0.590 68.325 68.868 0.078 0.000 0.862 145 T HN 0.085 nan 8.240 nan 0.000 0.438 146 L N 1.544 122.859 121.223 0.152 0.000 2.042 146 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 146 L C 2.515 179.487 176.870 0.170 0.000 1.076 146 L CA 1.832 56.777 54.840 0.175 0.000 0.749 146 L CB -0.815 41.364 42.059 0.201 0.000 0.893 146 L HN 0.246 nan 8.230 nan 0.000 0.432 147 S N -1.994 113.808 115.700 0.170 0.000 2.368 147 S HA -0.203 4.267 4.470 -0.000 0.000 0.224 147 S C 1.933 176.628 174.600 0.158 0.000 1.029 147 S CA 1.134 59.425 58.200 0.151 0.000 0.988 147 S CB -0.932 62.363 63.200 0.160 0.000 0.838 147 S HN 0.599 nan 8.310 nan 0.000 0.462 148 H N -0.641 118.443 119.070 0.023 0.000 2.387 148 H HA -0.142 4.414 4.556 -0.000 0.000 0.299 148 H C 2.127 177.410 175.328 -0.075 0.000 1.099 148 H CA 1.763 57.821 56.048 0.017 0.000 1.315 148 H CB -0.168 29.656 29.762 0.103 0.000 1.380 148 H HN 0.487 nan 8.280 nan 0.000 0.513 149 Y N 1.999 122.151 120.300 -0.247 0.000 2.163 149 Y HA -0.167 4.383 4.550 -0.000 0.000 0.288 149 Y C 2.141 177.941 175.900 -0.167 0.000 1.136 149 Y CA 1.388 59.201 58.100 -0.479 0.000 1.147 149 Y CB -0.162 37.983 38.460 -0.524 0.000 0.987 149 Y HN 0.153 nan 8.280 nan 0.000 0.509 150 E N -0.065 120.023 120.200 -0.188 0.000 2.204 150 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 150 E C 1.840 178.319 176.600 -0.202 0.000 0.990 150 E CA 1.408 57.689 56.400 -0.198 0.000 0.821 150 E CB -0.190 29.494 29.700 -0.026 0.000 0.750 150 E HN 0.515 nan 8.360 nan 0.000 0.477 151 L N 0.228 121.361 121.223 -0.150 0.000 2.554 151 L HA 0.114 4.454 4.340 -0.000 0.000 0.225 151 L C 0.845 177.632 176.870 -0.139 0.000 1.104 151 L CA -0.340 54.423 54.840 -0.128 0.000 0.866 151 L CB 0.335 42.337 42.059 -0.096 0.000 1.047 151 L HN -0.173 nan 8.230 nan 0.000 0.468 152 S N 2.232 117.841 115.700 -0.151 0.000 2.596 152 S HA 0.007 4.477 4.470 -0.000 0.000 0.298 152 S C -1.056 173.468 174.600 -0.127 0.000 1.255 152 S CA -0.833 57.307 58.200 -0.101 0.000 1.083 152 S CB 0.667 63.841 63.200 -0.044 0.000 0.837 152 S HN 0.130 nan 8.310 nan 0.000 0.499 153 P HA -0.131 nan 4.420 nan 0.000 0.219 153 P C -0.467 176.781 177.300 -0.088 0.000 1.146 153 P CA 1.013 64.061 63.100 -0.087 0.000 0.808 153 P CB -0.027 31.632 31.700 -0.068 0.000 0.779 154 K N 1.832 122.181 120.400 -0.085 0.000 2.250 154 K HA 0.178 4.498 4.320 -0.000 0.000 0.285 154 K C -0.009 176.516 176.600 -0.125 0.000 1.097 154 K CA -0.544 55.691 56.287 -0.086 0.000 0.913 154 K CB -0.096 32.363 32.500 -0.067 0.000 1.179 154 K HN -0.036 nan 8.250 nan 0.000 0.462 155 K N 1.223 121.535 120.400 -0.145 0.000 2.395 155 K HA 0.128 4.448 4.320 -0.000 0.000 0.283 155 K C 0.445 176.918 176.600 -0.210 0.000 1.068 155 K CA -0.312 55.858 56.287 -0.195 0.000 1.039 155 K CB -0.030 32.372 32.500 -0.163 0.000 0.924 155 K HN 0.557 nan 8.250 nan 0.000 0.468 156 G N 2.323 110.960 108.800 -0.272 0.000 2.483 156 G HA2 0.058 4.018 3.960 -0.000 0.000 0.248 156 G HA3 0.058 4.018 3.960 -0.000 0.000 0.248 156 G C -0.264 174.583 174.900 -0.088 0.000 1.248 156 G CA -0.697 44.344 45.100 -0.098 0.000 0.838 156 G HN 0.788 nan 8.290 nan 0.000 0.566 157 Q N -0.519 119.192 119.800 -0.148 0.000 2.246 157 Q HA 0.182 4.522 4.340 -0.000 0.000 0.222 157 Q C -0.195 175.833 176.000 0.047 0.000 0.851 157 Q CA 0.422 56.119 55.803 -0.176 0.000 0.945 157 Q CB 1.162 29.516 28.738 -0.641 0.000 1.122 157 Q HN 0.495 nan 8.270 nan 0.000 0.508 158 T N 0.133 114.758 114.554 0.118 0.000 3.393 158 T HA 0.231 4.581 4.350 -0.000 0.000 0.359 158 T C -1.264 173.518 174.700 0.137 0.000 1.380 158 T CA -0.507 61.722 62.100 0.215 0.000 1.132 158 T CB 2.126 71.213 68.868 0.366 0.000 1.284 158 T HN -0.190 nan 8.240 nan 0.000 0.477 159 V N 4.211 124.060 119.914 -0.109 0.000 2.439 159 V HA 0.495 4.615 4.120 -0.000 0.000 0.282 159 V C -0.154 175.799 176.094 -0.235 0.000 1.039 159 V CA -0.740 61.303 62.300 -0.428 0.000 0.913 159 V CB 1.286 32.332 31.823 -1.295 0.000 0.983 159 V HN 0.678 nan 8.190 nan 0.000 0.460 160 L N 5.545 126.646 121.223 -0.204 0.000 2.255 160 L HA 0.458 4.798 4.340 -0.000 0.000 0.289 160 L C -0.595 176.189 176.870 -0.143 0.000 1.046 160 L CA -0.114 54.627 54.840 -0.166 0.000 0.816 160 L CB 0.673 42.563 42.059 -0.281 0.000 1.197 160 L HN 0.525 nan 8.230 nan 0.000 0.427 161 F N 3.420 123.274 119.950 -0.159 0.000 2.391 161 F HA 0.262 4.789 4.527 -0.000 0.000 0.359 161 F C 0.752 176.630 175.800 0.130 0.000 1.122 161 F CA -0.243 57.754 58.000 -0.005 0.000 1.120 161 F CB 1.442 40.496 39.000 0.091 0.000 1.142 161 F HN 0.116 nan 8.300 nan 0.000 0.483 162 V N 5.816 125.548 119.914 -0.304 0.000 3.620 162 V HA 0.311 4.431 4.120 -0.000 0.000 0.286 162 V C 0.752 176.938 176.094 0.153 0.000 1.288 162 V CA 1.011 63.286 62.300 -0.042 0.000 1.178 162 V CB -0.904 30.889 31.823 -0.050 0.000 0.986 162 V HN 1.107 nan 8.190 nan 0.000 0.431 163 G N 0.001 108.898 108.800 0.162 0.000 2.515 163 G HA2 0.071 4.031 3.960 -0.000 0.000 0.686 163 G HA3 0.071 4.031 3.960 -0.000 0.000 0.686 163 G C -0.773 174.284 174.900 0.262 0.000 1.274 163 G CA -0.576 44.685 45.100 0.269 0.000 0.874 163 G HN 0.236 nan 8.290 nan 0.000 0.631 164 D N -0.912 119.501 120.400 0.021 0.000 3.729 164 D HA -0.119 4.521 4.640 -0.000 0.000 0.242 164 D C 1.356 177.714 176.300 0.096 0.000 1.091 164 D CA 1.166 55.123 54.000 -0.072 0.000 1.096 164 D CB -0.841 39.993 40.800 0.057 0.000 0.901 164 D HN 0.616 nan 8.370 nan 0.000 0.416 165 L N 1.122 122.234 121.223 -0.185 0.000 2.034 165 L HA -0.037 4.303 4.340 -0.000 0.000 0.203 165 L C 2.492 178.704 176.870 -1.097 0.000 1.074 165 L CA 2.293 56.763 54.840 -0.617 0.000 0.748 165 L CB -0.564 40.805 42.059 -1.150 0.000 0.905 165 L HN 0.520 nan 8.230 nan 0.000 0.439 166 S N -4.455 110.496 115.700 -1.248 0.000 2.604 166 S HA 0.093 4.563 4.470 -0.000 0.000 0.235 166 S C 0.423 174.821 174.600 -0.335 0.000 1.043 166 S CA -0.246 57.349 58.200 -1.009 0.000 0.997 166 S CB -0.106 62.251 63.200 -1.406 0.000 0.956 166 S HN 0.287 nan 8.310 nan 0.000 0.535 167 Y N 0.392 120.369 120.300 -0.537 0.000 4.409 167 Y HA -0.343 4.207 4.550 -0.000 0.000 0.228 167 Y C 1.710 177.469 175.900 -0.235 0.000 1.108 167 Y CA 0.016 57.900 58.100 -0.359 0.000 1.955 167 Y CB -2.162 36.139 38.460 -0.265 0.000 1.615 167 Y HN 0.507 nan 8.280 nan 0.000 0.665 168 A N 0.546 123.155 122.820 -0.351 0.000 2.019 168 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 168 A C 1.990 179.539 177.584 -0.057 0.000 1.164 168 A CA 1.613 53.522 52.037 -0.212 0.000 0.644 168 A CB -0.401 18.251 19.000 -0.580 0.000 0.805 168 A HN 0.606 nan 8.150 nan 0.000 0.449 169 D N -0.497 119.796 120.400 -0.180 0.000 2.378 169 D HA -0.121 4.519 4.640 -0.000 0.000 0.227 169 D C 1.519 177.606 176.300 -0.355 0.000 1.012 169 D CA 0.467 54.227 54.000 -0.401 0.000 0.905 169 D CB -0.432 40.119 40.800 -0.416 0.000 0.895 169 D HN 0.507 nan 8.370 nan 0.000 0.532 170 R N -1.076 119.327 120.500 -0.162 0.000 2.246 170 R HA 0.082 4.422 4.340 -0.000 0.000 0.199 170 R C 0.127 176.221 176.300 -0.344 0.000 0.984 170 R CA 0.029 55.969 56.100 -0.268 0.000 1.015 170 R CB 0.104 30.179 30.300 -0.375 0.000 0.930 170 R HN 0.195 nan 8.270 nan 0.000 0.475 171 Y N 1.840 122.059 120.300 -0.135 0.000 2.300 171 Y HA 0.161 4.711 4.550 -0.000 0.000 0.328 171 Y C -1.728 174.158 175.900 -0.023 0.000 1.270 171 Y CA -2.782 55.277 58.100 -0.069 0.000 1.352 171 Y CB 0.086 38.513 38.460 -0.056 0.000 1.286 171 Y HN -0.049 nan 8.280 nan 0.000 0.536 172 P HA -0.076 nan 4.420 nan 0.000 0.265 172 P C -0.816 176.601 177.300 0.195 0.000 1.193 172 P CA 0.375 63.553 63.100 0.131 0.000 0.765 172 P CB 0.320 32.087 31.700 0.111 0.000 0.823 173 N N 1.403 120.220 118.700 0.195 0.000 2.714 173 N HA -0.235 4.505 4.740 -0.000 0.000 0.250 173 N C -0.070 175.697 175.510 0.429 0.000 1.117 173 N CA 0.675 53.858 53.050 0.222 0.000 0.719 173 N CB -2.026 36.578 38.487 0.195 0.000 1.081 173 N HN 0.710 nan 8.380 nan 0.000 0.557 174 H N -2.472 116.672 119.070 0.124 0.000 2.861 174 H HA -0.197 4.358 4.556 -0.000 0.000 0.289 174 H C -0.087 175.242 175.328 0.002 0.000 1.176 174 H CA 0.528 56.603 56.048 0.044 0.000 1.146 174 H CB -1.146 28.557 29.762 -0.098 0.000 1.330 174 H HN 0.462 nan 8.280 nan 0.000 0.379 175 D N 1.337 121.845 120.400 0.180 0.000 7.900 175 D HA -0.164 4.476 4.640 -0.000 0.000 0.177 175 D C 0.923 177.167 176.300 -0.093 0.000 1.430 175 D CA 0.713 54.749 54.000 0.060 0.000 0.886 175 D CB -0.528 40.283 40.800 0.018 0.000 1.676 175 D HN 0.588 nan 8.370 nan 0.000 0.967 176 N N 1.846 120.398 118.700 -0.246 0.000 2.635 176 N HA -0.121 4.619 4.740 -0.000 0.000 0.191 176 N C 1.682 176.998 175.510 -0.323 0.000 1.155 176 N CA 0.013 52.782 53.050 -0.469 0.000 0.927 176 N CB 0.411 38.131 38.487 -1.278 0.000 0.976 176 N HN 0.253 nan 8.380 nan 0.000 0.448 177 V N 1.127 120.943 119.914 -0.163 0.000 2.427 177 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 177 V C 2.202 178.228 176.094 -0.114 0.000 1.051 177 V CA 1.332 63.611 62.300 -0.036 0.000 1.048 177 V CB -0.316 31.478 31.823 -0.048 0.000 0.666 177 V HN 0.277 nan 8.190 nan 0.000 0.456 178 R N -1.435 118.918 120.500 -0.245 0.000 2.293 178 R HA -0.164 4.176 4.340 -0.000 0.000 0.219 178 R C 1.882 178.094 176.300 -0.146 0.000 1.091 178 R CA 1.042 56.943 56.100 -0.332 0.000 1.004 178 R CB -0.704 29.258 30.300 -0.564 0.000 0.865 178 R HN 0.644 nan 8.270 nan 0.000 0.469 179 W N 0.550 121.786 121.300 -0.107 0.000 2.494 179 W HA -0.044 4.616 4.660 -0.000 0.000 0.286 179 W C 1.714 178.293 176.519 0.100 0.000 1.218 179 W CA 0.297 57.649 57.345 0.012 0.000 1.313 179 W CB 0.126 29.569 29.460 -0.028 0.000 1.105 179 W HN 0.037 nan 8.180 nan 0.000 0.561 180 D N -0.491 120.075 120.400 0.276 0.000 2.097 180 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 180 D C 2.217 178.600 176.300 0.139 0.000 0.984 180 D CA 2.461 56.579 54.000 0.197 0.000 0.826 180 D CB -1.063 39.817 40.800 0.133 0.000 0.973 180 D HN 0.177 nan 8.370 nan 0.000 0.460 181 T N -2.008 112.531 114.554 -0.024 0.000 2.788 181 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 181 T C 1.942 176.710 174.700 0.113 0.000 1.044 181 T CA 0.902 62.872 62.100 -0.218 0.000 1.139 181 T CB -0.800 67.488 68.868 -0.967 0.000 0.867 181 T HN 0.233 nan 8.240 nan 0.000 0.454 182 W N 2.368 123.692 121.300 0.040 0.000 2.358 182 W HA 0.157 4.817 4.660 -0.000 0.000 0.303 182 W C 2.537 179.207 176.519 0.252 0.000 1.208 182 W CA 1.193 58.680 57.345 0.238 0.000 1.274 182 W CB -0.691 28.841 29.460 0.120 0.000 1.138 182 W HN 0.320 nan 8.180 nan 0.000 0.515 183 G N 0.001 109.056 108.800 0.425 0.000 2.432 183 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.219 183 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.219 183 G C 1.631 176.579 174.900 0.080 0.000 1.135 183 G CA 0.824 46.055 45.100 0.219 0.000 0.767 183 G HN 0.250 nan 8.290 nan 0.000 0.550 184 R N -1.083 119.519 120.500 0.171 0.000 2.093 184 R HA 0.064 4.404 4.340 -0.000 0.000 0.224 184 R C 2.219 178.650 176.300 0.217 0.000 1.101 184 R CA 0.757 56.971 56.100 0.189 0.000 0.979 184 R CB -0.358 30.084 30.300 0.235 0.000 0.877 184 R HN 0.413 nan 8.270 nan 0.000 0.441 185 F N 1.698 121.702 119.950 0.090 0.000 2.102 185 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 185 F C 2.110 177.822 175.800 -0.146 0.000 1.105 185 F CA 2.039 60.047 58.000 0.014 0.000 1.239 185 F CB -0.902 38.153 39.000 0.091 0.000 0.991 185 F HN -0.065 nan 8.300 nan 0.000 0.474 186 T N -2.391 111.718 114.554 -0.741 0.000 3.113 186 T HA -0.043 4.307 4.350 -0.000 0.000 0.256 186 T C 1.756 176.160 174.700 -0.493 0.000 1.131 186 T CA 0.785 62.323 62.100 -0.937 0.000 1.074 186 T CB -0.626 67.387 68.868 -1.425 0.000 0.944 186 T HN 0.556 nan 8.240 nan 0.000 0.516 187 E N 2.120 122.168 120.200 -0.252 0.000 2.171 187 E HA -0.284 4.066 4.350 -0.000 0.000 0.197 187 E C 2.421 179.026 176.600 0.009 0.000 0.997 187 E CA 1.316 57.649 56.400 -0.111 0.000 0.810 187 E CB -0.158 29.541 29.700 -0.002 0.000 0.738 187 E HN 0.768 nan 8.360 nan 0.000 0.467 188 R N -0.059 120.490 120.500 0.082 0.000 2.159 188 R HA -0.109 4.231 4.340 -0.000 0.000 0.237 188 R C 2.275 178.779 176.300 0.340 0.000 1.131 188 R CA 1.773 58.021 56.100 0.247 0.000 0.982 188 R CB -0.345 30.059 30.300 0.173 0.000 0.868 188 R HN -0.027 nan 8.270 nan 0.000 0.453 189 S N 0.231 116.064 115.700 0.221 0.000 2.527 189 S HA 0.020 4.489 4.470 -0.000 0.000 0.225 189 S C 1.890 176.692 174.600 0.337 0.000 1.046 189 S CA 0.414 58.845 58.200 0.386 0.000 0.929 189 S CB 0.036 63.583 63.200 0.577 0.000 0.851 189 S HN 0.236 nan 8.310 nan 0.000 0.565 190 V N 2.116 121.989 119.914 -0.070 0.000 2.867 190 V HA 0.088 4.208 4.120 -0.000 0.000 0.260 190 V C 2.435 178.491 176.094 -0.064 0.000 1.099 190 V CA 1.411 63.586 62.300 -0.208 0.000 1.122 190 V CB -1.646 29.858 31.823 -0.531 0.000 0.708 190 V HN 0.527 nan 8.190 nan 0.000 0.490 191 A N -1.256 121.462 122.820 -0.171 0.000 2.119 191 A HA 0.050 4.369 4.320 -0.000 0.000 0.216 191 A C 1.869 179.224 177.584 -0.382 0.000 1.152 191 A CA 1.039 52.794 52.037 -0.471 0.000 0.708 191 A CB -0.423 17.973 19.000 -1.007 0.000 0.805 191 A HN 0.616 nan 8.150 nan 0.000 0.460 192 Y N -0.558 119.856 120.300 0.191 0.000 2.535 192 Y HA 0.204 4.754 4.550 -0.000 0.000 0.264 192 Y C 0.926 176.988 175.900 0.269 0.000 1.087 192 Y CA 0.264 58.520 58.100 0.261 0.000 1.285 192 Y CB 0.436 39.022 38.460 0.210 0.000 1.200 192 Y HN 0.510 nan 8.280 nan 0.000 0.514 193 Q N 1.027 121.072 119.800 0.408 0.000 2.331 193 Q HA 0.466 4.806 4.340 -0.000 0.000 0.272 193 Q C -3.221 172.995 176.000 0.359 0.000 1.062 193 Q CA -2.475 53.539 55.803 0.352 0.000 0.806 193 Q CB 3.040 31.987 28.738 0.348 0.000 1.312 193 Q HN -0.165 nan 8.270 nan 0.000 0.431 194 P HA 0.042 nan 4.420 nan 0.000 0.269 194 P C -1.249 176.263 177.300 0.354 0.000 1.209 194 P CA 0.099 63.339 63.100 0.233 0.000 0.776 194 P CB 0.381 32.153 31.700 0.119 0.000 0.876 195 W N 2.178 123.395 121.300 -0.138 0.000 2.587 195 W HA 0.343 5.003 4.660 -0.000 0.000 0.324 195 W C -0.318 175.816 176.519 -0.642 0.000 1.040 195 W CA -0.581 56.523 57.345 -0.401 0.000 1.222 195 W CB 0.965 30.007 29.460 -0.697 0.000 1.381 195 W HN 0.125 nan 8.180 nan 0.000 0.483 196 I N 2.924 123.358 120.570 -0.225 0.000 2.342 196 I HA 0.189 4.359 4.170 -0.000 0.000 0.291 196 I C -0.334 175.716 176.117 -0.112 0.000 1.010 196 I CA -1.472 59.767 61.300 -0.103 0.000 1.308 196 I CB -0.179 37.856 38.000 0.058 0.000 1.400 196 I HN 0.380 nan 8.210 nan 0.000 0.488 197 W N 5.291 126.888 121.300 0.495 0.000 2.365 197 W HA 0.502 5.162 4.660 -0.000 0.000 0.316 197 W C 0.148 176.986 176.519 0.531 0.000 1.164 197 W CA -0.383 57.278 57.345 0.526 0.000 1.204 197 W CB 1.129 30.899 29.460 0.516 0.000 1.213 197 W HN 0.337 nan 8.180 nan 0.000 0.539 198 T N 2.048 117.039 114.554 0.728 0.000 2.886 198 T HA 0.605 4.955 4.350 -0.000 0.000 0.292 198 T C -0.496 174.404 174.700 0.332 0.000 1.012 198 T CA -0.704 61.677 62.100 0.467 0.000 0.982 198 T CB 1.464 70.526 68.868 0.323 0.000 1.018 198 T HN 0.487 nan 8.240 nan 0.000 0.451 199 A N 2.174 125.092 122.820 0.163 0.000 2.320 199 A HA 0.767 5.087 4.320 -0.000 0.000 0.287 199 A C 0.701 178.269 177.584 -0.028 0.000 1.181 199 A CA -0.319 51.632 52.037 -0.144 0.000 0.831 199 A CB 0.161 18.990 19.000 -0.284 0.000 1.102 199 A HN 0.979 nan 8.150 nan 0.000 0.513 200 G N 0.709 109.389 108.800 -0.200 0.000 2.887 200 G HA2 0.409 4.369 3.960 -0.000 0.000 0.277 200 G HA3 0.409 4.369 3.960 -0.000 0.000 0.277 200 G C 0.603 175.326 174.900 -0.295 0.000 1.346 200 G CA -0.049 44.749 45.100 -0.505 0.000 1.058 200 G HN 0.723 nan 8.290 nan 0.000 0.535 201 N N -1.125 117.288 118.700 -0.478 0.000 2.409 201 N HA -0.102 4.638 4.740 -0.000 0.000 0.179 201 N C 1.128 176.333 175.510 -0.508 0.000 1.032 201 N CA 0.761 53.393 53.050 -0.698 0.000 0.898 201 N CB -0.301 37.632 38.487 -0.923 0.000 0.971 201 N HN 0.563 nan 8.380 nan 0.000 0.441 202 H N 0.204 119.051 119.070 -0.371 0.000 2.559 202 H HA 0.087 4.643 4.556 -0.000 0.000 0.273 202 H C 0.618 175.779 175.328 -0.279 0.000 1.000 202 H CA 0.706 56.526 56.048 -0.381 0.000 1.195 202 H CB 0.544 29.911 29.762 -0.658 0.000 1.368 202 H HN 0.345 nan 8.280 nan 0.000 0.592 203 E N -0.016 120.090 120.200 -0.156 0.000 2.400 203 E HA 0.052 4.402 4.350 -0.000 0.000 0.195 203 E C 2.083 178.624 176.600 -0.099 0.000 1.012 203 E CA -0.091 56.305 56.400 -0.006 0.000 0.875 203 E CB 0.234 29.851 29.700 -0.139 0.000 0.859 203 E HN 0.404 nan 8.360 nan 0.000 0.498 204 I N 1.240 121.544 120.570 -0.442 0.000 2.142 204 I HA -0.240 3.930 4.170 -0.000 0.000 0.240 204 I C 0.271 176.165 176.117 -0.371 0.000 1.078 204 I CA 0.955 61.734 61.300 -0.868 0.000 1.343 204 I CB -0.302 37.276 38.000 -0.704 0.000 1.046 204 I HN 0.091 nan 8.210 nan 0.000 0.405 205 E N 0.554 120.691 120.200 -0.106 0.000 2.210 205 E HA -0.281 4.069 4.350 -0.000 0.000 0.201 205 E C -0.335 176.384 176.600 0.198 0.000 1.339 205 E CA 0.077 56.572 56.400 0.157 0.000 0.699 205 E CB -1.860 27.966 29.700 0.210 0.000 1.126 205 E HN 0.330 nan 8.360 nan 0.000 0.355 206 F N 1.157 121.089 119.950 -0.030 0.000 2.423 206 F HA 0.400 4.927 4.527 -0.000 0.000 0.356 206 F C 0.321 176.122 175.800 0.000 0.000 1.170 206 F CA -0.550 57.423 58.000 -0.044 0.000 1.163 206 F CB 0.553 39.493 39.000 -0.099 0.000 1.318 206 F HN 0.117 nan 8.300 nan 0.000 0.569 207 A N 8.421 131.055 122.820 -0.310 0.000 3.064 207 A HA 0.457 4.777 4.320 -0.000 0.000 0.339 207 A C -2.056 175.250 177.584 -0.464 0.000 1.078 207 A CA -1.330 50.508 52.037 -0.331 0.000 0.869 207 A CB -0.102 18.734 19.000 -0.273 0.000 1.067 207 A HN 0.538 nan 8.150 nan 0.000 0.480 208 P HA -0.237 nan 4.420 nan 0.000 0.216 208 P C 1.007 178.131 177.300 -0.294 0.000 1.154 208 P CA 1.791 64.596 63.100 -0.492 0.000 0.865 208 P CB 0.260 31.671 31.700 -0.481 0.000 0.789 209 E N 0.061 120.110 120.200 -0.252 0.000 2.130 209 E HA -0.182 4.168 4.350 -0.000 0.000 0.196 209 E C 1.622 178.080 176.600 -0.237 0.000 0.998 209 E CA 1.242 57.526 56.400 -0.193 0.000 0.806 209 E CB -1.245 28.360 29.700 -0.159 0.000 0.738 209 E HN 0.463 nan 8.360 nan 0.000 0.459 210 I N -3.009 117.355 120.570 -0.343 0.000 3.889 210 I HA 0.307 4.477 4.170 -0.000 0.000 0.332 210 I C -0.287 175.669 176.117 -0.268 0.000 1.493 210 I CA -0.463 60.550 61.300 -0.479 0.000 1.158 210 I CB -0.081 37.337 38.000 -0.969 0.000 1.117 210 I HN -0.121 nan 8.210 nan 0.000 0.411 211 N N 2.166 120.734 118.700 -0.219 0.000 2.747 211 N HA -0.145 4.595 4.740 -0.000 0.000 0.249 211 N C -0.572 174.810 175.510 -0.213 0.000 1.107 211 N CA 0.947 53.897 53.050 -0.166 0.000 0.707 211 N CB -0.632 37.817 38.487 -0.064 0.000 1.054 211 N HN 0.590 nan 8.380 nan 0.000 0.555 212 E N 0.247 120.257 120.200 -0.318 0.000 2.102 212 E HA 0.284 4.634 4.350 -0.000 0.000 0.263 212 E C 0.984 177.450 176.600 -0.224 0.000 0.894 212 E CA -0.123 56.086 56.400 -0.317 0.000 0.746 212 E CB 0.885 30.233 29.700 -0.586 0.000 1.129 212 E HN 0.344 nan 8.360 nan 0.000 0.416 213 T N -0.776 113.718 114.554 -0.100 0.000 3.170 213 T HA 0.179 4.529 4.350 -0.000 0.000 0.288 213 T C 0.312 175.139 174.700 0.211 0.000 0.992 213 T CA -0.434 61.668 62.100 0.003 0.000 0.909 213 T CB 0.402 69.268 68.868 -0.003 0.000 1.133 213 T HN 0.177 nan 8.240 nan 0.000 0.530 214 E N 2.739 123.031 120.200 0.153 0.000 2.081 214 E HA 0.359 4.709 4.350 -0.000 0.000 0.276 214 E C -2.758 173.945 176.600 0.173 0.000 0.950 214 E CA -2.505 53.995 56.400 0.167 0.000 0.776 214 E CB 1.314 31.103 29.700 0.149 0.000 1.094 214 E HN 0.163 nan 8.360 nan 0.000 0.402 215 P HA -0.009 nan 4.420 nan 0.000 0.265 215 P C -0.683 176.650 177.300 0.055 0.000 1.193 215 P CA 0.188 63.236 63.100 -0.086 0.000 0.765 215 P CB 0.048 31.618 31.700 -0.216 0.000 0.823 216 F N -0.461 119.534 119.950 0.075 0.000 2.953 216 F HA -0.276 4.251 4.527 -0.000 0.000 0.292 216 F C 1.743 177.646 175.800 0.172 0.000 0.747 216 F CA 1.161 59.232 58.000 0.119 0.000 1.222 216 F CB -2.100 36.918 39.000 0.030 0.000 1.457 216 F HN 0.340 nan 8.300 nan 0.000 0.383 217 K N 0.827 121.382 120.400 0.257 0.000 1.987 217 K HA -0.168 4.152 4.320 -0.000 0.000 0.216 217 K C -0.785 175.830 176.600 0.025 0.000 1.051 217 K CA 2.407 58.817 56.287 0.205 0.000 0.942 217 K CB -0.813 31.836 32.500 0.248 0.000 0.722 217 K HN 0.186 nan 8.250 nan 0.000 0.444 218 P HA -0.138 nan 4.420 nan 0.000 0.216 218 P C 1.113 178.049 177.300 -0.607 0.000 1.153 218 P CA 1.026 63.711 63.100 -0.693 0.000 0.848 218 P CB -0.115 31.133 31.700 -0.754 0.000 0.787 219 F N 1.523 121.187 119.950 -0.477 0.000 2.095 219 F HA -0.228 4.299 4.527 -0.000 0.000 0.298 219 F C 2.174 177.917 175.800 -0.096 0.000 1.104 219 F CA 2.179 59.993 58.000 -0.310 0.000 1.232 219 F CB -1.107 37.938 39.000 0.075 0.000 0.987 219 F HN -0.058 nan 8.300 nan 0.000 0.475 220 S N -1.210 114.400 115.700 -0.151 0.000 2.447 220 S HA -0.218 4.252 4.470 -0.000 0.000 0.233 220 S C 1.910 176.304 174.600 -0.343 0.000 1.006 220 S CA 1.026 59.047 58.200 -0.299 0.000 0.957 220 S CB -1.311 61.825 63.200 -0.106 0.000 0.773 220 S HN 0.530 nan 8.310 nan 0.000 0.507 221 Y N 1.857 121.979 120.300 -0.297 0.000 2.286 221 Y HA 0.197 4.746 4.550 -0.000 0.000 0.293 221 Y C 2.830 178.643 175.900 -0.144 0.000 1.124 221 Y CA 1.020 59.012 58.100 -0.179 0.000 1.178 221 Y CB -0.061 38.214 38.460 -0.308 0.000 1.010 221 Y HN 0.190 nan 8.280 nan 0.000 0.536 222 R N -1.615 118.754 120.500 -0.220 0.000 2.100 222 R HA -0.010 4.330 4.340 -0.000 0.000 0.220 222 R C -0.575 175.322 176.300 -0.671 0.000 1.091 222 R CA 0.719 56.549 56.100 -0.450 0.000 0.986 222 R CB -0.050 29.830 30.300 -0.700 0.000 0.888 222 R HN 0.127 nan 8.270 nan 0.000 0.444 223 Y N 0.489 120.551 120.300 -0.397 0.000 2.328 223 Y HA 0.332 4.882 4.550 -0.000 0.000 0.333 223 Y C -0.042 175.650 175.900 -0.347 0.000 0.958 223 Y CA -0.702 57.116 58.100 -0.470 0.000 1.167 223 Y CB 0.985 38.805 38.460 -1.066 0.000 1.151 223 Y HN -0.036 nan 8.280 nan 0.000 0.470 224 H N 1.751 120.625 119.070 -0.327 0.000 2.567 224 H HA 0.778 5.334 4.556 -0.000 0.000 0.345 224 H C -0.737 174.477 175.328 -0.191 0.000 1.169 224 H CA -1.226 54.578 56.048 -0.406 0.000 1.227 224 H CB 2.319 31.686 29.762 -0.658 0.000 1.607 224 H HN 0.485 nan 8.280 nan 0.000 0.534 225 V N -0.379 119.417 119.914 -0.196 0.000 3.007 225 V HA 0.339 4.459 4.120 -0.000 0.000 0.311 225 V C -2.663 173.204 176.094 -0.378 0.000 1.120 225 V CA -2.327 59.776 62.300 -0.328 0.000 0.980 225 V CB 2.299 33.674 31.823 -0.748 0.000 1.033 225 V HN 0.666 nan 8.190 nan 0.000 0.429 226 P HA 0.122 nan 4.420 nan 0.000 0.225 226 P C 0.283 177.404 177.300 -0.299 0.000 1.768 226 P CA 0.005 62.923 63.100 -0.304 0.000 0.943 226 P CB -0.788 30.808 31.700 -0.174 0.000 1.936 227 Y N -0.112 119.952 120.300 -0.393 0.000 2.509 227 Y HA 0.009 4.559 4.550 -0.000 0.000 0.293 227 Y C 1.433 177.210 175.900 -0.205 0.000 1.133 227 Y CA 0.752 58.658 58.100 -0.323 0.000 1.283 227 Y CB -0.908 37.260 38.460 -0.487 0.000 1.001 227 Y HN 0.019 nan 8.280 nan 0.000 0.555 228 E N 0.991 120.805 120.200 -0.644 0.000 2.435 228 E HA 0.076 4.426 4.350 -0.000 0.000 0.195 228 E C 2.264 178.785 176.600 -0.131 0.000 1.029 228 E CA 0.687 56.881 56.400 -0.344 0.000 0.865 228 E CB -0.105 29.349 29.700 -0.411 0.000 0.833 228 E HN 0.581 nan 8.360 nan 0.000 0.510 229 A N 0.988 123.740 122.820 -0.114 0.000 1.883 229 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 229 A C 1.480 179.103 177.584 0.066 0.000 1.186 229 A CA 1.284 53.303 52.037 -0.029 0.000 0.624 229 A CB -0.434 18.552 19.000 -0.024 0.000 0.822 229 A HN 0.254 nan 8.150 nan 0.000 0.444 230 S N -0.375 115.419 115.700 0.157 0.000 2.632 230 S HA 0.400 4.870 4.470 -0.000 0.000 0.267 230 S C -0.173 174.607 174.600 0.301 0.000 1.276 230 S CA -0.499 57.893 58.200 0.319 0.000 0.998 230 S CB 0.723 64.270 63.200 0.578 0.000 0.953 230 S HN 0.339 nan 8.310 nan 0.000 0.547 231 Q N 1.266 121.296 119.800 0.384 0.000 2.894 231 Q HA 0.332 4.672 4.340 -0.000 0.000 0.358 231 Q C 0.131 176.333 176.000 0.337 0.000 1.155 231 Q CA -0.034 55.935 55.803 0.276 0.000 0.960 231 Q CB 0.080 28.942 28.738 0.208 0.000 1.428 231 Q HN 0.579 nan 8.270 nan 0.000 0.437 232 S N -0.159 115.669 115.700 0.214 0.000 2.592 232 S HA 0.258 4.728 4.470 -0.000 0.000 0.271 232 S C 0.954 175.575 174.600 0.035 0.000 1.326 232 S CA -0.169 57.988 58.200 -0.071 0.000 1.024 232 S CB 0.666 63.559 63.200 -0.511 0.000 0.921 232 S HN 0.547 nan 8.310 nan 0.000 0.527 233 T N -0.037 114.469 114.554 -0.080 0.000 3.129 233 T HA 0.395 4.745 4.350 -0.000 0.000 0.267 233 T C 0.185 174.603 174.700 -0.470 0.000 1.018 233 T CA -0.254 61.803 62.100 -0.071 0.000 0.903 233 T CB -0.108 68.793 68.868 0.054 0.000 1.067 233 T HN 0.419 nan 8.240 nan 0.000 0.549 234 S N 1.512 116.527 115.700 -1.142 0.000 2.537 234 S HA 0.515 4.985 4.470 -0.000 0.000 0.271 234 S C -2.700 170.617 174.600 -2.139 0.000 1.148 234 S CA -1.219 55.967 58.200 -1.691 0.000 0.868 234 S CB 2.252 64.409 63.200 -1.739 0.000 1.115 234 S HN -0.061 nan 8.310 nan 0.000 0.461 235 P HA 0.187 nan 4.420 nan 0.000 0.245 235 P C 0.480 177.199 177.300 -0.969 0.000 1.212 235 P CA 0.232 62.420 63.100 -1.520 0.000 0.774 235 P CB -0.210 30.706 31.700 -1.306 0.000 0.999 236 F N -0.624 118.956 119.950 -0.617 0.000 2.776 236 F HA 0.199 4.726 4.527 -0.000 0.000 0.300 236 F C 0.720 176.593 175.800 0.122 0.000 1.116 236 F CA -0.462 57.424 58.000 -0.190 0.000 1.375 236 F CB -0.575 38.307 39.000 -0.197 0.000 1.109 236 F HN 0.030 nan 8.300 nan 0.000 0.585 237 W N 0.247 121.527 121.300 -0.032 0.000 3.211 237 W HA 0.564 5.224 4.660 -0.000 0.000 0.335 237 W C -1.416 174.846 176.519 -0.428 0.000 1.113 237 W CA -2.089 55.126 57.345 -0.218 0.000 1.235 237 W CB -0.124 29.166 29.460 -0.283 0.000 1.365 237 W HN 0.028 nan 8.180 nan 0.000 0.476 238 Y N 0.131 120.271 120.300 -0.266 0.000 2.905 238 Y HA 0.855 5.405 4.550 -0.000 0.000 0.322 238 Y C -1.130 174.899 175.900 0.214 0.000 1.455 238 Y CA -1.371 56.602 58.100 -0.211 0.000 1.083 238 Y CB 1.106 39.514 38.460 -0.086 0.000 1.473 238 Y HN 0.711 nan 8.280 nan 0.000 0.449 239 S N 0.668 116.620 115.700 0.420 0.000 2.537 239 S HA 0.836 5.306 4.470 -0.000 0.000 0.271 239 S C -1.586 173.153 174.600 0.231 0.000 1.148 239 S CA -0.316 58.068 58.200 0.307 0.000 0.868 239 S CB 1.071 64.558 63.200 0.478 0.000 1.115 239 S HN 1.328 nan 8.310 nan 0.000 0.461 240 I N -0.218 120.402 120.570 0.083 0.000 2.994 240 I HA 0.719 4.889 4.170 -0.000 0.000 0.306 240 I C -1.479 174.562 176.117 -0.126 0.000 1.195 240 I CA -1.094 60.218 61.300 0.020 0.000 1.001 240 I CB 2.282 40.341 38.000 0.099 0.000 1.244 240 I HN 0.521 nan 8.210 nan 0.000 0.437 241 K N 2.631 122.958 120.400 -0.122 0.000 2.324 241 K HA 0.679 4.999 4.320 -0.000 0.000 0.253 241 K C -1.165 175.426 176.600 -0.015 0.000 0.932 241 K CA -0.863 55.350 56.287 -0.124 0.000 0.799 241 K CB 2.820 35.233 32.500 -0.144 0.000 1.154 241 K HN 0.650 nan 8.250 nan 0.000 0.425 242 R N 1.822 122.335 120.500 0.021 0.000 2.510 242 R HA 0.499 4.839 4.340 -0.000 0.000 0.287 242 R C -0.371 175.892 176.300 -0.063 0.000 1.084 242 R CA 0.434 56.519 56.100 -0.025 0.000 0.934 242 R CB 1.317 31.603 30.300 -0.023 0.000 1.201 242 R HN 0.830 nan 8.270 nan 0.000 0.431 243 A N 2.396 125.148 122.820 -0.115 0.000 5.277 243 A HA -0.333 3.987 4.320 -0.000 0.000 0.304 243 A C 0.627 178.265 177.584 0.089 0.000 1.976 243 A CA 1.490 53.498 52.037 -0.048 0.000 0.715 243 A CB -2.228 16.697 19.000 -0.125 0.000 1.275 243 A HN 1.343 nan 8.150 nan 0.000 0.367 244 S N 0.302 116.124 115.700 0.204 0.000 2.572 244 S HA 0.656 5.126 4.470 -0.000 0.000 0.228 244 S C 0.366 175.206 174.600 0.399 0.000 0.963 244 S CA 1.034 59.413 58.200 0.298 0.000 0.939 244 S CB -0.185 63.251 63.200 0.395 0.000 0.804 244 S HN 2.239 nan 8.310 nan 0.000 0.480 245 A N 1.232 124.251 122.820 0.332 0.000 2.354 245 A HA 0.760 5.080 4.320 -0.000 0.000 0.321 245 A C -0.925 176.796 177.584 0.229 0.000 1.125 245 A CA -0.747 51.486 52.037 0.326 0.000 0.799 245 A CB 0.907 20.057 19.000 0.249 0.000 1.293 245 A HN 0.629 nan 8.150 nan 0.000 0.452 246 H N 0.739 119.867 119.070 0.097 0.000 2.800 246 H HA 0.606 5.162 4.556 -0.000 0.000 0.322 246 H C -1.270 174.053 175.328 -0.009 0.000 0.979 246 H CA -0.508 55.566 56.048 0.044 0.000 1.277 246 H CB 0.623 30.406 29.762 0.035 0.000 1.484 246 H HN 0.540 nan 8.280 nan 0.000 0.512 247 I N 6.652 127.274 120.570 0.087 0.000 2.359 247 I HA 0.261 4.431 4.170 -0.000 0.000 0.294 247 I C -0.294 175.862 176.117 0.065 0.000 0.987 247 I CA -0.527 60.779 61.300 0.009 0.000 1.225 247 I CB 1.527 39.472 38.000 -0.091 0.000 1.366 247 I HN 0.506 nan 8.210 nan 0.000 0.466 248 I N 6.575 127.164 120.570 0.031 0.000 2.418 248 I HA 0.357 4.527 4.170 -0.000 0.000 0.287 248 I C -0.671 175.438 176.117 -0.014 0.000 1.008 248 I CA -0.805 60.544 61.300 0.082 0.000 1.104 248 I CB 2.073 40.111 38.000 0.064 0.000 1.264 248 I HN 0.197 nan 8.210 nan 0.000 0.438 249 V N 7.429 127.288 119.914 -0.092 0.000 2.398 249 V HA 0.492 4.612 4.120 -0.000 0.000 0.286 249 V C 0.120 176.229 176.094 0.025 0.000 1.026 249 V CA -0.423 61.780 62.300 -0.162 0.000 0.868 249 V CB 1.680 33.157 31.823 -0.577 0.000 0.982 249 V HN 0.503 nan 8.190 nan 0.000 0.443 250 L N 2.809 124.093 121.223 0.102 0.000 2.286 250 L HA 0.704 5.044 4.340 -0.000 0.000 0.265 250 L C 0.076 177.070 176.870 0.207 0.000 1.012 250 L CA -0.557 54.396 54.840 0.189 0.000 0.818 250 L CB 2.148 44.308 42.059 0.169 0.000 1.337 250 L HN 0.600 nan 8.230 nan 0.000 0.438 251 S N -0.970 114.877 115.700 0.246 0.000 2.669 251 S HA 0.248 4.718 4.470 -0.000 0.000 0.315 251 S C 0.562 175.234 174.600 0.120 0.000 1.106 251 S CA -0.612 57.716 58.200 0.214 0.000 1.107 251 S CB 1.224 64.637 63.200 0.355 0.000 0.990 251 S HN 0.594 nan 8.310 nan 0.000 0.471 252 S N 3.704 119.353 115.700 -0.085 0.000 2.419 252 S HA -0.048 4.422 4.470 -0.000 0.000 0.233 252 S C 0.491 174.833 174.600 -0.429 0.000 1.016 252 S CA 1.168 59.152 58.200 -0.361 0.000 0.974 252 S CB -0.307 62.410 63.200 -0.806 0.000 0.786 252 S HN 0.881 nan 8.310 nan 0.000 0.492 253 Y N 1.092 121.495 120.300 0.172 0.000 2.485 253 Y HA 0.451 5.000 4.550 -0.000 0.000 0.260 253 Y C 1.207 177.203 175.900 0.161 0.000 1.173 253 Y CA -0.679 57.503 58.100 0.137 0.000 1.252 253 Y CB -0.152 38.382 38.460 0.125 0.000 1.123 253 Y HN 0.056 nan 8.280 nan 0.000 0.524 254 S N -0.227 115.613 115.700 0.234 0.000 2.718 254 S HA 0.809 5.278 4.470 -0.000 0.000 0.292 254 S C -0.007 174.619 174.600 0.042 0.000 1.125 254 S CA -0.552 57.782 58.200 0.224 0.000 1.013 254 S CB 0.809 64.232 63.200 0.371 0.000 1.192 254 S HN 0.197 nan 8.310 nan 0.000 0.535 255 A N 0.334 123.141 122.820 -0.022 0.000 2.312 255 A HA 0.657 4.977 4.320 -0.000 0.000 0.328 255 A C -0.903 176.581 177.584 -0.166 0.000 1.158 255 A CA -0.444 51.447 52.037 -0.243 0.000 0.821 255 A CB 0.077 18.981 19.000 -0.159 0.000 1.170 255 A HN 0.930 nan 8.150 nan 0.000 0.490 256 Y N 0.347 120.620 120.300 -0.045 0.000 2.738 256 Y HA 0.503 5.053 4.550 -0.000 0.000 0.249 256 Y C 0.833 176.728 175.900 -0.009 0.000 1.153 256 Y CA -0.871 57.241 58.100 0.020 0.000 1.165 256 Y CB -0.788 37.638 38.460 -0.056 0.000 1.235 256 Y HN 0.676 nan 8.280 nan 0.000 0.559 257 G N 1.458 110.202 108.800 -0.093 0.000 2.716 257 G HA2 0.130 4.090 3.960 -0.000 0.000 0.251 257 G HA3 0.130 4.090 3.960 -0.000 0.000 0.251 257 G C -0.485 174.231 174.900 -0.307 0.000 1.224 257 G CA -0.831 44.179 45.100 -0.151 0.000 0.891 257 G HN 0.478 nan 8.290 nan 0.000 0.561 258 R N -0.263 119.949 120.500 -0.480 0.000 2.347 258 R HA 0.444 4.784 4.340 -0.000 0.000 0.304 258 R C 1.327 177.310 176.300 -0.528 0.000 1.072 258 R CA 1.130 56.659 56.100 -0.952 0.000 0.980 258 R CB 0.106 30.071 30.300 -0.558 0.000 0.986 258 R HN 1.158 nan 8.270 nan 0.000 0.448 259 G N 2.268 110.776 108.800 -0.487 0.000 2.254 259 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.225 259 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.225 259 G C 0.244 175.151 174.900 0.011 0.000 1.003 259 G CA 0.193 45.229 45.100 -0.107 0.000 0.622 259 G HN 0.833 nan 8.290 nan 0.000 0.507 260 T N -0.231 114.321 114.554 -0.002 0.000 2.734 260 T HA 0.474 4.824 4.350 -0.000 0.000 0.314 260 T C -0.682 174.107 174.700 0.147 0.000 1.057 260 T CA -0.121 62.015 62.100 0.061 0.000 1.047 260 T CB 1.416 70.299 68.868 0.025 0.000 0.991 260 T HN 0.018 nan 8.240 nan 0.000 0.540 261 P HA -0.108 nan 4.420 nan 0.000 0.215 261 P C 1.833 179.207 177.300 0.124 0.000 1.157 261 P CA 1.080 64.322 63.100 0.236 0.000 0.868 261 P CB 0.028 31.949 31.700 0.367 0.000 0.788 262 Q N -1.770 117.852 119.800 -0.297 0.000 2.079 262 Q HA -0.220 4.120 4.340 -0.000 0.000 0.200 262 Q C 2.138 178.124 176.000 -0.022 0.000 0.974 262 Q CA 1.279 56.616 55.803 -0.776 0.000 0.840 262 Q CB -0.575 27.483 28.738 -1.133 0.000 0.898 262 Q HN 0.177 nan 8.270 nan 0.000 0.430 263 Y N 0.942 121.298 120.300 0.094 0.000 2.089 263 Y HA -0.227 4.323 4.550 -0.000 0.000 0.282 263 Y C 2.315 178.388 175.900 0.289 0.000 1.139 263 Y CA 2.275 60.570 58.100 0.324 0.000 1.123 263 Y CB -0.643 37.998 38.460 0.301 0.000 0.980 263 Y HN 0.064 nan 8.280 nan 0.000 0.493 264 T N 0.159 115.031 114.554 0.530 0.000 2.665 264 T HA -0.308 4.042 4.350 -0.000 0.000 0.268 264 T C 1.342 176.174 174.700 0.220 0.000 1.035 264 T CA 1.918 64.230 62.100 0.353 0.000 1.151 264 T CB -0.891 68.157 68.868 0.300 0.000 0.862 264 T HN 0.727 nan 8.240 nan 0.000 0.438 265 W N 1.457 122.812 121.300 0.091 0.000 2.355 265 W HA -0.064 4.595 4.660 -0.000 0.000 0.309 265 W C 1.925 178.442 176.519 -0.003 0.000 1.206 265 W CA 0.566 57.964 57.345 0.089 0.000 1.284 265 W CB -0.686 28.906 29.460 0.220 0.000 1.145 265 W HN 0.152 nan 8.180 nan 0.000 0.502 266 L N 1.883 123.060 121.223 -0.077 0.000 2.046 266 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 266 L C 2.539 179.109 176.870 -0.500 0.000 1.077 266 L CA 2.398 57.003 54.840 -0.392 0.000 0.747 266 L CB -1.284 40.643 42.059 -0.220 0.000 0.896 266 L HN 0.063 nan 8.230 nan 0.000 0.432 267 K N -0.589 119.544 120.400 -0.445 0.000 2.009 267 K HA -0.270 4.050 4.320 -0.000 0.000 0.210 267 K C 2.224 178.495 176.600 -0.550 0.000 1.049 267 K CA 1.958 57.809 56.287 -0.726 0.000 0.929 267 K CB -0.055 32.085 32.500 -0.599 0.000 0.714 267 K HN 0.139 nan 8.250 nan 0.000 0.440 268 K N 0.750 120.913 120.400 -0.395 0.000 2.057 268 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 268 K C 1.957 178.293 176.600 -0.439 0.000 1.049 268 K CA 1.737 57.823 56.287 -0.335 0.000 0.931 268 K CB -0.159 32.205 32.500 -0.227 0.000 0.714 268 K HN 0.166 nan 8.250 nan 0.000 0.440 269 E N 0.561 120.364 120.200 -0.660 0.000 2.110 269 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 269 E C 1.653 177.917 176.600 -0.560 0.000 0.988 269 E CA 1.180 57.173 56.400 -0.678 0.000 0.804 269 E CB -0.200 28.803 29.700 -1.163 0.000 0.745 269 E HN 0.232 nan 8.360 nan 0.000 0.458 270 L N 0.039 120.860 121.223 -0.670 0.000 2.083 270 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 270 L C 2.528 178.944 176.870 -0.757 0.000 1.083 270 L CA 1.308 55.636 54.840 -0.854 0.000 0.752 270 L CB -0.288 41.018 42.059 -1.255 0.000 0.899 270 L HN 0.098 nan 8.230 nan 0.000 0.433 271 R N 0.089 120.275 120.500 -0.524 0.000 2.237 271 R HA -0.114 4.226 4.340 -0.000 0.000 0.219 271 R C 1.637 177.830 176.300 -0.178 0.000 1.080 271 R CA 0.756 56.711 56.100 -0.243 0.000 0.995 271 R CB -0.082 30.114 30.300 -0.174 0.000 0.875 271 R HN 0.407 nan 8.270 nan 0.000 0.462 272 K N 0.320 120.590 120.400 -0.218 0.000 2.374 272 K HA 0.127 4.447 4.320 -0.000 0.000 0.196 272 K C 0.117 176.656 176.600 -0.101 0.000 1.023 272 K CA 0.059 56.276 56.287 -0.117 0.000 1.103 272 K CB 0.773 33.229 32.500 -0.074 0.000 0.848 272 K HN -0.077 nan 8.250 nan 0.000 0.528 273 V N 2.591 122.361 119.914 -0.239 0.000 2.572 273 V HA 0.026 4.146 4.120 -0.000 0.000 0.291 273 V C 0.139 176.155 176.094 -0.130 0.000 1.039 273 V CA 0.134 62.243 62.300 -0.318 0.000 1.055 273 V CB 0.590 32.126 31.823 -0.478 0.000 0.969 273 V HN 0.125 nan 8.190 nan 0.000 0.482 274 K N 5.022 125.393 120.400 -0.049 0.000 2.521 274 K HA 0.404 4.724 4.320 -0.000 0.000 0.248 274 K C 0.677 177.259 176.600 -0.030 0.000 0.978 274 K CA -0.680 55.594 56.287 -0.022 0.000 0.947 274 K CB 1.254 33.771 32.500 0.028 0.000 1.165 274 K HN 0.411 nan 8.250 nan 0.000 0.445 275 R N 0.402 120.818 120.500 -0.139 0.000 2.285 275 R HA -0.058 4.281 4.340 -0.000 0.000 0.213 275 R C 1.023 177.334 176.300 0.018 0.000 1.068 275 R CA 0.778 56.759 56.100 -0.199 0.000 1.004 275 R CB -0.122 29.769 30.300 -0.682 0.000 0.873 275 R HN 0.486 nan 8.270 nan 0.000 0.467 276 S N 0.074 115.816 115.700 0.070 0.000 2.522 276 S HA -0.039 4.431 4.470 -0.000 0.000 0.227 276 S C 1.645 176.345 174.600 0.166 0.000 0.986 276 S CA 0.523 58.873 58.200 0.250 0.000 0.929 276 S CB 0.290 63.601 63.200 0.184 0.000 0.769 276 S HN 0.411 nan 8.310 nan 0.000 0.529 277 E N 1.590 121.857 120.200 0.112 0.000 2.207 277 E HA 0.023 4.373 4.350 -0.000 0.000 0.197 277 E C -0.205 176.459 176.600 0.108 0.000 0.914 277 E CA 0.788 57.245 56.400 0.094 0.000 0.914 277 E CB 0.643 30.395 29.700 0.087 0.000 0.893 277 E HN 0.508 nan 8.360 nan 0.000 0.479 278 T N 0.073 114.705 114.554 0.131 0.000 2.991 278 T HA 0.332 4.682 4.350 -0.000 0.000 0.347 278 T C -2.121 172.673 174.700 0.156 0.000 1.122 278 T CA -1.863 60.344 62.100 0.177 0.000 1.062 278 T CB 1.582 70.588 68.868 0.230 0.000 1.043 278 T HN -0.067 nan 8.240 nan 0.000 0.491 279 P HA -0.072 nan 4.420 nan 0.000 0.217 279 P C -0.123 177.121 177.300 -0.093 0.000 1.150 279 P CA 0.711 63.829 63.100 0.030 0.000 0.832 279 P CB 0.029 31.689 31.700 -0.067 0.000 0.787 280 W N 0.878 122.305 121.300 0.212 0.000 2.322 280 W HA 0.424 5.084 4.660 -0.000 0.000 0.307 280 W C 0.159 176.745 176.519 0.112 0.000 1.220 280 W CA -0.638 56.826 57.345 0.199 0.000 1.210 280 W CB 0.379 30.000 29.460 0.268 0.000 1.223 280 W HN -0.154 nan 8.180 nan 0.000 0.511 281 L N 6.231 127.614 121.223 0.268 0.000 2.319 281 L HA 0.639 4.979 4.340 -0.000 0.000 0.281 281 L C -0.990 175.890 176.870 0.017 0.000 1.005 281 L CA -0.794 54.102 54.840 0.094 0.000 0.828 281 L CB 0.445 42.500 42.059 -0.006 0.000 1.227 281 L HN 0.354 nan 8.230 nan 0.000 0.415 282 I N 5.172 125.710 120.570 -0.052 0.000 2.569 282 I HA 0.578 4.748 4.170 -0.000 0.000 0.296 282 I C -0.887 175.120 176.117 -0.183 0.000 1.028 282 I CA -0.999 60.197 61.300 -0.173 0.000 1.082 282 I CB 2.275 40.147 38.000 -0.213 0.000 1.264 282 I HN 0.242 nan 8.210 nan 0.000 0.429 283 V N 6.326 126.085 119.914 -0.259 0.000 2.680 283 V HA 0.538 4.657 4.120 -0.000 0.000 0.309 283 V C -0.318 175.690 176.094 -0.144 0.000 1.052 283 V CA -0.576 61.575 62.300 -0.248 0.000 0.908 283 V CB 2.282 33.818 31.823 -0.478 0.000 1.001 283 V HN 0.447 nan 8.190 nan 0.000 0.431 284 L N 5.695 126.875 121.223 -0.071 0.000 2.362 284 L HA 0.853 5.193 4.340 -0.000 0.000 0.271 284 L C -0.408 176.480 176.870 0.029 0.000 1.002 284 L CA -0.538 54.305 54.840 0.005 0.000 0.818 284 L CB 1.877 43.940 42.059 0.006 0.000 1.298 284 L HN 0.780 nan 8.230 nan 0.000 0.420 285 M N -0.964 118.675 119.600 0.066 0.000 2.732 285 M HA 0.362 4.842 4.480 -0.000 0.000 0.272 285 M C -0.535 175.834 176.300 0.115 0.000 1.203 285 M CA -0.735 54.615 55.300 0.083 0.000 0.841 285 M CB 2.360 34.995 32.600 0.057 0.000 1.685 285 M HN 0.481 nan 8.290 nan 0.000 0.492 286 H N 0.884 119.951 119.070 -0.004 0.000 2.306 286 H HA 0.351 4.907 4.556 -0.000 0.000 0.307 286 H C 0.236 175.542 175.328 -0.037 0.000 1.061 286 H CA 2.088 58.143 56.048 0.013 0.000 1.359 286 H CB 0.363 30.167 29.762 0.070 0.000 1.407 286 H HN 0.658 nan 8.280 nan 0.000 0.517 287 S N 3.114 118.686 115.700 -0.215 0.000 2.448 287 S HA 0.191 4.661 4.470 -0.000 0.000 0.279 287 S C -2.547 171.969 174.600 -0.140 0.000 1.195 287 S CA -1.613 56.419 58.200 -0.279 0.000 1.051 287 S CB 0.414 63.411 63.200 -0.337 0.000 0.948 287 S HN 0.289 nan 8.310 nan 0.000 0.493 288 P HA 0.049 nan 4.420 nan 0.000 0.267 288 P C 0.702 177.949 177.300 -0.089 0.000 1.205 288 P CA -0.160 62.928 63.100 -0.020 0.000 0.765 288 P CB 0.634 32.349 31.700 0.025 0.000 0.828 289 L N 2.186 123.345 121.223 -0.107 0.000 2.156 289 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 289 L C 0.591 177.060 176.870 -0.669 0.000 1.095 289 L CA 1.454 56.090 54.840 -0.341 0.000 0.770 289 L CB -0.444 41.442 42.059 -0.289 0.000 0.914 289 L HN 0.358 nan 8.230 nan 0.000 0.439 290 Y N 0.501 120.574 120.300 -0.378 0.000 2.328 290 Y HA 0.381 4.931 4.550 -0.000 0.000 0.333 290 Y C -0.017 175.853 175.900 -0.050 0.000 0.958 290 Y CA -0.797 57.090 58.100 -0.355 0.000 1.167 290 Y CB 1.185 39.339 38.460 -0.510 0.000 1.151 290 Y HN -0.012 nan 8.280 nan 0.000 0.470 291 N N 0.923 119.717 118.700 0.156 0.000 2.537 291 N HA 0.108 4.848 4.740 -0.000 0.000 0.281 291 N C -0.865 174.935 175.510 0.482 0.000 1.097 291 N CA -0.231 53.003 53.050 0.307 0.000 0.964 291 N CB 1.578 40.193 38.487 0.213 0.000 1.588 291 N HN 0.532 nan 8.380 nan 0.000 0.511 292 S N 1.739 117.694 115.700 0.425 0.000 2.574 292 S HA 0.236 4.706 4.470 -0.000 0.000 0.242 292 S C -0.313 174.310 174.600 0.038 0.000 0.982 292 S CA -0.401 57.939 58.200 0.232 0.000 0.977 292 S CB -0.478 62.720 63.200 -0.003 0.000 0.814 292 S HN 0.461 nan 8.310 nan 0.000 0.464 293 Y N 1.947 122.306 120.300 0.098 0.000 2.374 293 Y HA 0.450 5.000 4.550 -0.000 0.000 0.322 293 Y C 1.667 177.596 175.900 0.048 0.000 1.275 293 Y CA -1.099 57.024 58.100 0.039 0.000 1.307 293 Y CB 0.533 39.037 38.460 0.072 0.000 1.282 293 Y HN 0.054 nan 8.280 nan 0.000 0.509 294 N N -0.560 118.237 118.700 0.163 0.000 2.270 294 N HA -0.160 4.580 4.740 -0.000 0.000 0.181 294 N C 0.076 175.711 175.510 0.208 0.000 1.016 294 N CA 0.671 53.776 53.050 0.092 0.000 0.870 294 N CB -0.117 38.375 38.487 0.008 0.000 0.979 294 N HN 0.615 nan 8.380 nan 0.000 0.431 295 H N 1.247 120.341 119.070 0.040 0.000 2.955 295 H HA -0.035 4.521 4.556 -0.000 0.000 0.290 295 H C 0.039 175.284 175.328 -0.137 0.000 1.047 295 H CA 0.132 56.081 56.048 -0.166 0.000 1.484 295 H CB 0.018 29.620 29.762 -0.266 0.000 1.501 295 H HN 0.300 nan 8.280 nan 0.000 0.521 296 H N 2.406 121.479 119.070 0.005 0.000 2.969 296 H HA -0.245 4.311 4.556 -0.000 0.000 0.269 296 H C -0.332 175.048 175.328 0.087 0.000 1.230 296 H CA 0.677 56.697 56.048 -0.047 0.000 1.123 296 H CB -2.173 27.469 29.762 -0.201 0.000 1.289 296 H HN 0.466 nan 8.280 nan 0.000 0.364 297 F N 1.981 121.984 119.950 0.088 0.000 2.538 297 F HA 0.222 4.749 4.527 -0.000 0.000 0.371 297 F C 1.533 177.357 175.800 0.040 0.000 1.087 297 F CA 0.859 58.903 58.000 0.073 0.000 1.250 297 F CB 0.270 39.306 39.000 0.060 0.000 1.110 297 F HN 0.298 nan 8.300 nan 0.000 0.570 298 M N 3.196 122.360 119.600 -0.727 0.000 2.899 298 M HA -0.314 4.166 4.480 -0.000 0.000 0.195 298 M C 1.064 177.184 176.300 -0.301 0.000 0.603 298 M CA 1.110 56.019 55.300 -0.653 0.000 0.712 298 M CB -1.426 30.685 32.600 -0.816 0.000 2.569 298 M HN 0.753 nan 8.290 nan 0.000 0.406 299 E N 0.066 120.174 120.200 -0.152 0.000 2.107 299 E HA -0.046 4.304 4.350 -0.000 0.000 0.191 299 E C 1.960 178.483 176.600 -0.129 0.000 0.982 299 E CA 1.160 57.521 56.400 -0.065 0.000 0.809 299 E CB -0.027 29.712 29.700 0.067 0.000 0.756 299 E HN 0.751 nan 8.360 nan 0.000 0.459 300 G N 0.994 109.686 108.800 -0.181 0.000 2.882 300 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.206 300 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.206 300 G C 1.132 175.853 174.900 -0.298 0.000 1.155 300 G CA 0.038 44.996 45.100 -0.236 0.000 0.800 300 G HN 0.066 nan 8.290 nan 0.000 0.524 301 E N 1.291 121.318 120.200 -0.289 0.000 2.031 301 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 301 E C 2.919 179.358 176.600 -0.268 0.000 0.994 301 E CA 1.158 57.376 56.400 -0.303 0.000 0.800 301 E CB -0.582 28.954 29.700 -0.273 0.000 0.752 301 E HN 0.345 nan 8.360 nan 0.000 0.447 302 A N 1.366 124.068 122.820 -0.197 0.000 1.892 302 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 302 A C 2.279 179.681 177.584 -0.303 0.000 1.188 302 A CA 2.214 54.163 52.037 -0.148 0.000 0.631 302 A CB -0.630 18.374 19.000 0.006 0.000 0.822 302 A HN 0.312 nan 8.150 nan 0.000 0.447 303 M N -1.231 118.069 119.600 -0.499 0.000 2.229 303 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 303 M C 2.248 178.137 176.300 -0.686 0.000 1.063 303 M CA 1.656 56.388 55.300 -0.947 0.000 1.114 303 M CB -0.132 31.924 32.600 -0.905 0.000 1.387 303 M HN 0.454 nan 8.290 nan 0.000 0.420 304 R N -0.221 120.003 120.500 -0.460 0.000 2.080 304 R HA -0.176 4.164 4.340 -0.000 0.000 0.236 304 R C 2.114 178.176 176.300 -0.398 0.000 1.137 304 R CA 2.288 58.154 56.100 -0.390 0.000 0.943 304 R CB -0.751 29.307 30.300 -0.403 0.000 0.846 304 R HN 0.611 nan 8.270 nan 0.000 0.431 305 T N -1.636 112.703 114.554 -0.358 0.000 2.946 305 T HA -0.114 4.236 4.350 -0.000 0.000 0.271 305 T C 1.682 176.165 174.700 -0.362 0.000 1.104 305 T CA 1.445 63.372 62.100 -0.288 0.000 1.114 305 T CB -0.001 68.748 68.868 -0.199 0.000 0.867 305 T HN 0.185 nan 8.240 nan 0.000 0.513 306 K N -1.095 118.961 120.400 -0.574 0.000 2.287 306 K HA 0.362 4.682 4.320 -0.000 0.000 0.199 306 K C 0.894 176.887 176.600 -1.011 0.000 1.061 306 K CA 0.344 56.168 56.287 -0.771 0.000 0.976 306 K CB 0.324 32.248 32.500 -0.962 0.000 0.898 306 K HN 0.348 nan 8.250 nan 0.000 0.492 307 F N 0.285 119.708 119.950 -0.879 0.000 2.724 307 F HA 0.292 4.819 4.527 -0.000 0.000 0.306 307 F C 1.678 176.728 175.800 -1.250 0.000 1.100 307 F CA -0.465 56.774 58.000 -1.268 0.000 1.255 307 F CB -0.108 38.197 39.000 -1.158 0.000 1.072 307 F HN 0.055 nan 8.300 nan 0.000 0.589 308 E N 1.360 121.201 120.200 -0.598 0.000 2.049 308 E HA -0.253 4.097 4.350 -0.000 0.000 0.198 308 E C 2.397 178.900 176.600 -0.163 0.000 1.007 308 E CA 1.744 57.956 56.400 -0.313 0.000 0.809 308 E CB -0.065 29.577 29.700 -0.097 0.000 0.749 308 E HN 0.235 nan 8.360 nan 0.000 0.450 309 A N 0.476 123.217 122.820 -0.132 0.000 1.948 309 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 309 A C 1.790 179.504 177.584 0.217 0.000 1.177 309 A CA 1.598 53.665 52.037 0.050 0.000 0.636 309 A CB -1.068 17.976 19.000 0.074 0.000 0.815 309 A HN 0.535 nan 8.150 nan 0.000 0.449 310 W N -0.933 120.327 121.300 -0.066 0.000 2.388 310 W HA -0.025 4.635 4.660 -0.000 0.000 0.294 310 W C 1.921 178.595 176.519 0.259 0.000 1.212 310 W CA 0.335 57.727 57.345 0.079 0.000 1.271 310 W CB -1.459 27.973 29.460 -0.046 0.000 1.126 310 W HN 0.362 nan 8.180 nan 0.000 0.535 311 F N -0.256 119.886 119.950 0.321 0.000 2.186 311 F HA -0.125 4.402 4.527 -0.000 0.000 0.299 311 F C 2.286 178.180 175.800 0.156 0.000 1.090 311 F CA 0.420 58.538 58.000 0.197 0.000 1.307 311 F CB -1.670 37.413 39.000 0.137 0.000 1.019 311 F HN -0.298 nan 8.300 nan 0.000 0.489 312 V N 0.199 120.302 119.914 0.315 0.000 2.323 312 V HA -0.238 3.882 4.120 -0.000 0.000 0.244 312 V C 2.485 178.648 176.094 0.116 0.000 1.041 312 V CA 1.825 64.234 62.300 0.182 0.000 1.025 312 V CB -0.620 31.285 31.823 0.137 0.000 0.656 312 V HN 0.244 nan 8.190 nan 0.000 0.451 313 K N -0.546 119.917 120.400 0.106 0.000 2.152 313 K HA -0.210 4.110 4.320 -0.000 0.000 0.206 313 K C 1.716 178.175 176.600 -0.234 0.000 1.048 313 K CA 1.973 58.214 56.287 -0.076 0.000 0.933 313 K CB -0.193 32.239 32.500 -0.114 0.000 0.721 313 K HN 0.556 nan 8.250 nan 0.000 0.447 314 Y N 0.420 120.755 120.300 0.058 0.000 2.485 314 Y HA 0.227 4.777 4.550 -0.000 0.000 0.260 314 Y C -0.285 175.622 175.900 0.011 0.000 1.173 314 Y CA -0.128 57.978 58.100 0.010 0.000 1.252 314 Y CB 0.565 39.018 38.460 -0.011 0.000 1.123 314 Y HN -0.038 nan 8.280 nan 0.000 0.524 315 K N 0.198 120.679 120.400 0.135 0.000 3.162 315 K HA -0.150 4.170 4.320 -0.000 0.000 0.268 315 K C -0.221 176.426 176.600 0.078 0.000 1.062 315 K CA 0.493 56.832 56.287 0.087 0.000 0.769 315 K CB -1.857 30.677 32.500 0.055 0.000 1.274 315 K HN 0.215 nan 8.250 nan 0.000 0.478 316 V N -1.573 118.386 119.914 0.074 0.000 2.740 316 V HA 0.007 4.127 4.120 -0.000 0.000 0.303 316 V C 1.376 177.456 176.094 -0.023 0.000 1.054 316 V CA 0.134 62.422 62.300 -0.019 0.000 1.106 316 V CB 1.266 32.996 31.823 -0.156 0.000 0.957 316 V HN 0.275 nan 8.190 nan 0.000 0.486 317 D N 2.887 123.307 120.400 0.032 0.000 2.084 317 D HA 0.023 4.663 4.640 -0.000 0.000 0.199 317 D C 0.654 176.972 176.300 0.031 0.000 0.981 317 D CA 2.020 56.113 54.000 0.156 0.000 0.841 317 D CB 0.267 41.318 40.800 0.419 0.000 0.997 317 D HN 0.625 nan 8.370 nan 0.000 0.454 318 V N -0.235 119.547 119.914 -0.220 0.000 3.074 318 V HA 0.573 4.693 4.120 -0.000 0.000 0.314 318 V C -0.193 175.474 176.094 -0.713 0.000 1.117 318 V CA -0.935 61.031 62.300 -0.558 0.000 1.014 318 V CB 2.739 33.901 31.823 -1.102 0.000 1.057 318 V HN -0.188 nan 8.190 nan 0.000 0.438 319 V N 1.909 121.324 119.914 -0.832 0.000 2.509 319 V HA 0.459 4.579 4.120 -0.000 0.000 0.289 319 V C -1.152 174.640 176.094 -0.503 0.000 1.026 319 V CA -0.151 61.796 62.300 -0.589 0.000 0.872 319 V CB 1.143 32.686 31.823 -0.466 0.000 1.017 319 V HN 0.678 nan 8.190 nan 0.000 0.436 320 F N 3.173 122.998 119.950 -0.207 0.000 2.394 320 F HA 0.831 5.358 4.527 -0.000 0.000 0.340 320 F C 0.691 176.449 175.800 -0.071 0.000 1.105 320 F CA -0.043 57.870 58.000 -0.145 0.000 1.124 320 F CB 1.607 40.496 39.000 -0.185 0.000 1.145 320 F HN 0.570 nan 8.300 nan 0.000 0.505 321 A N 1.224 124.139 122.820 0.157 0.000 2.552 321 A HA 0.944 5.264 4.320 -0.000 0.000 0.288 321 A C -0.332 177.286 177.584 0.056 0.000 1.193 321 A CA -0.063 52.020 52.037 0.078 0.000 0.713 321 A CB 1.212 20.237 19.000 0.041 0.000 1.305 321 A HN 0.884 nan 8.150 nan 0.000 0.424 322 G N -2.444 106.332 108.800 -0.040 0.000 3.265 322 G HA2 0.490 4.450 3.960 -0.000 0.000 0.171 322 G HA3 0.490 4.450 3.960 -0.000 0.000 0.171 322 G C 0.316 175.133 174.900 -0.137 0.000 1.110 322 G CA 1.316 46.405 45.100 -0.019 0.000 0.855 322 G HN 1.896 nan 8.290 nan 0.000 0.658 323 H N -2.171 116.683 119.070 -0.360 0.000 4.919 323 H HA -0.222 4.334 4.556 -0.000 0.000 0.068 323 H C 0.519 175.716 175.328 -0.218 0.000 0.578 323 H CA 1.707 57.511 56.048 -0.406 0.000 1.013 323 H CB -1.197 28.141 29.762 -0.707 0.000 0.454 323 H HN 0.425 nan 8.280 nan 0.000 0.774 324 V N 2.529 122.368 119.914 -0.125 0.000 2.432 324 V HA 0.157 4.277 4.120 -0.000 0.000 0.271 324 V C 0.478 176.532 176.094 -0.066 0.000 1.046 324 V CA 0.315 62.519 62.300 -0.160 0.000 0.945 324 V CB 0.872 32.587 31.823 -0.181 0.000 0.992 324 V HN 0.466 nan 8.190 nan 0.000 0.471 325 H N 4.369 123.435 119.070 -0.006 0.000 2.998 325 H HA 0.585 5.141 4.556 -0.000 0.000 0.241 325 H C 0.459 175.752 175.328 -0.058 0.000 1.852 325 H CA 0.313 56.384 56.048 0.038 0.000 1.419 325 H CB 0.245 30.063 29.762 0.093 0.000 1.793 325 H HN 0.856 nan 8.280 nan 0.000 0.553 326 A N 1.419 124.246 122.820 0.012 0.000 2.457 326 A HA 0.359 4.679 4.320 -0.000 0.000 0.305 326 A C -2.302 175.329 177.584 0.079 0.000 1.110 326 A CA -0.785 51.229 52.037 -0.039 0.000 0.616 326 A CB 0.893 19.621 19.000 -0.452 0.000 1.371 326 A HN 0.334 nan 8.150 nan 0.000 0.525 327 Y N 0.602 120.879 120.300 -0.037 0.000 2.485 327 Y HA 0.748 5.298 4.550 -0.000 0.000 0.345 327 Y C -0.344 175.570 175.900 0.024 0.000 0.998 327 Y CA -0.362 57.652 58.100 -0.143 0.000 1.059 327 Y CB 1.828 39.892 38.460 -0.661 0.000 1.234 327 Y HN 0.996 nan 8.280 nan 0.000 0.461 328 E N 4.633 124.442 120.200 -0.652 0.000 2.400 328 E HA 0.393 4.743 4.350 -0.000 0.000 0.285 328 E C -2.095 174.153 176.600 -0.586 0.000 1.005 328 E CA -0.879 55.259 56.400 -0.436 0.000 0.816 328 E CB 1.512 31.256 29.700 0.074 0.000 1.220 328 E HN 0.780 nan 8.360 nan 0.000 0.426 329 R N 2.519 122.804 120.500 -0.358 0.000 2.574 329 R HA 0.492 4.832 4.340 -0.000 0.000 0.288 329 R C -0.955 175.331 176.300 -0.024 0.000 1.004 329 R CA -0.250 55.734 56.100 -0.194 0.000 0.895 329 R CB 1.718 31.926 30.300 -0.153 0.000 1.191 329 R HN 0.698 nan 8.270 nan 0.000 0.444 330 S N 2.164 117.878 115.700 0.023 0.000 2.677 330 S HA 0.507 4.977 4.470 -0.000 0.000 0.290 330 S C -0.370 174.240 174.600 0.016 0.000 1.124 330 S CA -0.821 57.420 58.200 0.068 0.000 1.017 330 S CB 1.452 64.730 63.200 0.129 0.000 1.215 330 S HN 0.574 nan 8.310 nan 0.000 0.524 331 E N 0.463 120.674 120.200 0.018 0.000 2.227 331 E HA 0.357 4.707 4.350 -0.000 0.000 0.268 331 E C -0.584 175.990 176.600 -0.043 0.000 0.990 331 E CA -0.614 55.776 56.400 -0.016 0.000 0.856 331 E CB 0.876 30.580 29.700 0.007 0.000 1.159 331 E HN 0.508 nan 8.360 nan 0.000 0.401 332 R N 0.697 121.164 120.500 -0.055 0.000 2.343 332 R HA 0.254 4.594 4.340 -0.000 0.000 0.326 332 R C -0.384 175.890 176.300 -0.044 0.000 1.055 332 R CA -0.010 56.058 56.100 -0.053 0.000 0.961 332 R CB 0.208 30.481 30.300 -0.046 0.000 0.978 332 R HN 0.098 nan 8.270 nan 0.000 0.443 333 V N 1.762 121.631 119.914 -0.074 0.000 2.962 333 V HA 0.478 4.598 4.120 -0.000 0.000 0.313 333 V C -0.466 175.575 176.094 -0.088 0.000 1.099 333 V CA -0.550 61.678 62.300 -0.120 0.000 0.971 333 V CB 2.468 34.136 31.823 -0.258 0.000 1.028 333 V HN 0.891 nan 8.190 nan 0.000 0.430 334 S N 2.302 117.989 115.700 -0.022 0.000 2.627 334 S HA 0.680 5.150 4.470 -0.000 0.000 0.283 334 S C -0.956 173.689 174.600 0.075 0.000 1.127 334 S CA -0.543 57.695 58.200 0.063 0.000 0.863 334 S CB 2.178 65.417 63.200 0.066 0.000 1.121 334 S HN 0.806 nan 8.310 nan 0.000 0.479 335 N N 1.193 119.949 118.700 0.094 0.000 2.635 335 N HA 0.202 4.942 4.740 -0.000 0.000 0.252 335 N C -0.441 175.089 175.510 0.032 0.000 1.589 335 N CA -0.273 52.810 53.050 0.054 0.000 0.828 335 N CB -0.039 38.470 38.487 0.037 0.000 1.403 335 N HN 0.797 nan 8.380 nan 0.000 0.518 336 I N -2.026 118.571 120.570 0.044 0.000 3.531 336 I HA 0.591 4.761 4.170 -0.000 0.000 0.341 336 I C 0.495 176.642 176.117 0.051 0.000 1.550 336 I CA -0.407 60.916 61.300 0.039 0.000 1.087 336 I CB 0.652 38.674 38.000 0.036 0.000 1.408 336 I HN 0.118 nan 8.210 nan 0.000 0.484 337 A N 0.170 123.033 122.820 0.072 0.000 2.419 337 A HA 0.215 4.535 4.320 -0.000 0.000 0.233 337 A C 0.484 178.134 177.584 0.110 0.000 1.217 337 A CA -0.226 51.854 52.037 0.071 0.000 0.944 337 A CB -0.070 18.964 19.000 0.058 0.000 1.025 337 A HN 0.511 nan 8.150 nan 0.000 0.524 338 Y N 1.865 122.152 120.300 -0.021 0.000 2.597 338 Y HA 0.252 4.802 4.550 -0.000 0.000 0.336 338 Y C 0.602 176.486 175.900 -0.026 0.000 1.216 338 Y CA 0.536 58.621 58.100 -0.026 0.000 1.463 338 Y CB 0.575 39.012 38.460 -0.038 0.000 1.303 338 Y HN 0.115 nan 8.280 nan 0.000 0.576 339 K N 7.403 127.462 120.400 -0.567 0.000 3.099 339 K HA 0.181 4.501 4.320 -0.000 0.000 0.197 339 K C -0.119 176.081 176.600 -0.666 0.000 1.114 339 K CA 0.064 56.065 56.287 -0.478 0.000 1.024 339 K CB 0.558 32.927 32.500 -0.218 0.000 0.711 339 K HN 0.698 nan 8.250 nan 0.000 0.432 340 I N -0.980 118.730 120.570 -1.433 0.000 4.639 340 I HA -0.415 3.755 4.170 -0.000 0.000 0.047 340 I C 1.758 177.641 176.117 -0.390 0.000 0.623 340 I CA 2.881 63.652 61.300 -0.881 0.000 0.827 340 I CB -2.304 35.484 38.000 -0.353 0.000 0.758 340 I HN 0.391 nan 8.210 nan 0.000 0.158 341 T N -1.089 113.312 114.554 -0.255 0.000 3.022 341 T HA 0.097 4.447 4.350 -0.000 0.000 0.250 341 T C 0.943 175.608 174.700 -0.057 0.000 1.060 341 T CA 0.716 62.758 62.100 -0.096 0.000 1.013 341 T CB -0.146 68.677 68.868 -0.074 0.000 0.982 341 T HN 0.548 nan 8.240 nan 0.000 0.508 342 D N 1.731 122.077 120.400 -0.091 0.000 2.352 342 D HA 0.142 4.782 4.640 -0.000 0.000 0.232 342 D C 1.778 178.107 176.300 0.049 0.000 1.055 342 D CA 0.535 54.521 54.000 -0.023 0.000 0.891 342 D CB -0.985 39.793 40.800 -0.038 0.000 0.897 342 D HN 0.514 nan 8.370 nan 0.000 0.529 343 G N 0.643 109.514 108.800 0.117 0.000 2.216 343 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.269 343 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.269 343 G C 0.485 175.477 174.900 0.154 0.000 0.981 343 G CA 0.507 45.698 45.100 0.152 0.000 0.658 343 G HN 0.484 nan 8.290 nan 0.000 0.539 344 L N 1.250 122.584 121.223 0.185 0.000 2.437 344 L HA 0.299 4.639 4.340 -0.000 0.000 0.243 344 L C 1.320 178.286 176.870 0.160 0.000 1.346 344 L CA 0.010 54.936 54.840 0.142 0.000 1.233 344 L CB -0.219 41.906 42.059 0.110 0.000 1.436 344 L HN 0.540 nan 8.230 nan 0.000 0.416 345 C N -2.055 117.280 119.300 0.059 0.000 2.808 345 C HA 0.541 5.001 4.460 -0.000 0.000 0.261 345 C C 0.395 175.340 174.990 -0.074 0.000 1.574 345 C CA -0.517 58.435 59.018 -0.109 0.000 1.611 345 C CB -0.824 26.687 27.740 -0.381 0.000 2.726 345 C HN 0.478 nan 8.230 nan 0.000 0.528 346 T N 2.749 117.298 114.554 -0.009 0.000 2.928 346 T HA 0.475 4.825 4.350 -0.000 0.000 0.296 346 T C -2.878 171.849 174.700 0.044 0.000 1.000 346 T CA -0.459 61.654 62.100 0.022 0.000 0.989 346 T CB 1.804 70.694 68.868 0.036 0.000 1.005 346 T HN 0.135 nan 8.240 nan 0.000 0.442 347 P HA 0.204 nan 4.420 nan 0.000 0.263 347 P C -0.890 176.455 177.300 0.074 0.000 1.175 347 P CA -0.160 62.989 63.100 0.082 0.000 0.761 347 P CB 0.502 32.277 31.700 0.126 0.000 0.794 348 V N 3.541 123.483 119.914 0.046 0.000 2.914 348 V HA 0.291 4.411 4.120 -0.000 0.000 0.314 348 V C 0.171 176.277 176.094 0.020 0.000 1.084 348 V CA -1.018 61.304 62.300 0.036 0.000 0.963 348 V CB 2.288 34.130 31.823 0.032 0.000 1.025 348 V HN 0.423 nan 8.190 nan 0.000 0.432 349 K N 2.807 123.217 120.400 0.017 0.000 2.401 349 K HA 0.206 4.526 4.320 -0.000 0.000 0.278 349 K C -0.962 175.640 176.600 0.004 0.000 1.018 349 K CA 0.123 56.414 56.287 0.006 0.000 0.981 349 K CB 0.447 32.951 32.500 0.007 0.000 0.933 349 K HN 0.702 nan 8.250 nan 0.000 0.477 350 D N 2.937 123.337 120.400 -0.000 0.000 2.890 350 D HA 0.068 4.708 4.640 -0.000 0.000 0.233 350 D C -0.179 176.121 176.300 0.001 0.000 1.306 350 D CA -0.329 53.674 54.000 0.005 0.000 0.929 350 D CB 1.584 42.394 40.800 0.017 0.000 1.512 350 D HN 0.494 nan 8.370 nan 0.000 0.568 351 Q N 1.401 121.199 119.800 -0.003 0.000 2.444 351 Q HA 0.100 4.440 4.340 -0.000 0.000 0.206 351 Q C 0.821 176.822 176.000 0.001 0.000 0.948 351 Q CA 0.291 56.091 55.803 -0.004 0.000 0.946 351 Q CB 0.549 29.281 28.738 -0.011 0.000 1.027 351 Q HN 0.277 nan 8.270 nan 0.000 0.513 352 S N -0.095 115.608 115.700 0.005 0.000 2.503 352 S HA 0.216 4.686 4.470 -0.000 0.000 0.215 352 S C 0.730 175.350 174.600 0.033 0.000 1.003 352 S CA -0.066 58.142 58.200 0.013 0.000 0.910 352 S CB 0.437 63.642 63.200 0.008 0.000 0.790 352 S HN 0.365 nan 8.310 nan 0.000 0.514 353 A N 3.542 126.381 122.820 0.032 0.000 2.371 353 A HA 0.531 4.851 4.320 -0.000 0.000 0.257 353 A C -2.273 175.300 177.584 -0.017 0.000 1.089 353 A CA -1.380 50.684 52.037 0.046 0.000 0.794 353 A CB -0.016 19.023 19.000 0.064 0.000 1.029 353 A HN 0.150 nan 8.150 nan 0.000 0.488 354 P HA 0.230 nan 4.420 nan 0.000 0.275 354 P C -0.627 176.466 177.300 -0.345 0.000 1.266 354 P CA -0.226 62.732 63.100 -0.237 0.000 0.793 354 P CB 0.639 32.085 31.700 -0.423 0.000 1.074 355 V N 1.415 121.156 119.914 -0.288 0.000 2.383 355 V HA 0.149 4.269 4.120 -0.000 0.000 0.275 355 V C -0.277 175.577 176.094 -0.400 0.000 1.036 355 V CA -0.252 61.913 62.300 -0.224 0.000 0.889 355 V CB -0.267 31.523 31.823 -0.055 0.000 0.985 355 V HN 0.330 nan 8.190 nan 0.000 0.459 356 Y N 5.509 125.726 120.300 -0.139 0.000 2.383 356 Y HA 0.554 5.104 4.550 -0.000 0.000 0.344 356 Y C 0.317 176.138 175.900 -0.131 0.000 0.986 356 Y CA -0.295 57.732 58.100 -0.121 0.000 1.175 356 Y CB 0.742 39.209 38.460 0.012 0.000 1.152 356 Y HN 0.431 nan 8.280 nan 0.000 0.511 357 I N 2.736 123.237 120.570 -0.115 0.000 2.530 357 I HA 0.362 4.532 4.170 -0.000 0.000 0.297 357 I C -0.200 175.947 176.117 0.049 0.000 1.011 357 I CA -0.747 60.501 61.300 -0.087 0.000 1.107 357 I CB 2.245 40.133 38.000 -0.187 0.000 1.285 357 I HN 0.532 nan 8.210 nan 0.000 0.436 358 T N 6.084 120.671 114.554 0.056 0.000 2.833 358 T HA 0.473 4.823 4.350 -0.000 0.000 0.297 358 T C -0.212 174.606 174.700 0.197 0.000 1.015 358 T CA -0.622 61.544 62.100 0.109 0.000 0.963 358 T CB 0.635 69.541 68.868 0.063 0.000 0.955 358 T HN 0.434 nan 8.240 nan 0.000 0.449 359 I N 2.008 122.721 120.570 0.237 0.000 3.137 359 I HA 0.453 4.623 4.170 -0.000 0.000 0.343 359 I C 0.785 177.026 176.117 0.206 0.000 1.394 359 I CA -0.815 60.654 61.300 0.281 0.000 0.952 359 I CB -0.320 37.853 38.000 0.288 0.000 1.921 359 I HN 0.795 nan 8.210 nan 0.000 0.530 360 G N 2.315 111.232 108.800 0.195 0.000 3.424 360 G HA2 0.052 4.012 3.960 -0.000 0.000 0.263 360 G HA3 0.052 4.012 3.960 -0.000 0.000 0.263 360 G C 0.296 175.376 174.900 0.299 0.000 1.310 360 G CA -0.012 45.228 45.100 0.234 0.000 1.089 360 G HN 0.634 nan 8.290 nan 0.000 0.534 361 D N -0.759 119.823 120.400 0.303 0.000 2.559 361 D HA 0.249 4.889 4.640 -0.000 0.000 0.234 361 D C 1.615 178.168 176.300 0.422 0.000 1.226 361 D CA 0.016 54.250 54.000 0.389 0.000 0.830 361 D CB 0.410 41.460 40.800 0.417 0.000 1.028 361 D HN 0.084 nan 8.370 nan 0.000 0.492 362 A N 0.040 123.020 122.820 0.268 0.000 2.168 362 A HA 0.461 4.780 4.320 -0.000 0.000 0.215 362 A C 1.831 179.436 177.584 0.035 0.000 1.152 362 A CA 1.183 53.337 52.037 0.196 0.000 0.716 362 A CB -0.138 18.979 19.000 0.195 0.000 0.794 362 A HN 0.546 nan 8.150 nan 0.000 0.465 363 G N -1.009 107.749 108.800 -0.071 0.000 3.768 363 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.214 363 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.214 363 G C 0.435 175.057 174.900 -0.464 0.000 1.058 363 G CA 0.479 45.292 45.100 -0.479 0.000 0.890 363 G HN 1.021 nan 8.290 nan 0.000 0.393 364 N N 0.585 119.053 118.700 -0.387 0.000 1.147 364 N HA -0.362 4.378 4.740 -0.000 0.000 0.110 364 N C 0.926 176.107 175.510 -0.549 0.000 0.748 364 N CA 2.252 54.851 53.050 -0.753 0.000 0.836 364 N CB -1.502 36.230 38.487 -1.260 0.000 1.055 364 N HN 1.230 nan 8.380 nan 0.000 0.639 365 Y N -0.511 119.455 120.300 -0.556 0.000 2.718 365 Y HA 0.621 5.171 4.550 -0.000 0.000 0.322 365 Y C 1.611 177.419 175.900 -0.153 0.000 1.122 365 Y CA -0.547 57.373 58.100 -0.300 0.000 1.348 365 Y CB -0.520 37.785 38.460 -0.258 0.000 1.174 365 Y HN 0.968 nan 8.280 nan 0.000 0.523 366 G N -0.031 108.586 108.800 -0.304 0.000 2.149 366 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.235 366 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.235 366 G C -0.664 174.270 174.900 0.057 0.000 1.018 366 G CA 0.034 45.051 45.100 -0.137 0.000 0.728 366 G HN 0.389 nan 8.290 nan 0.000 0.508 367 V N 1.407 121.274 119.914 -0.077 0.000 2.656 367 V HA 0.663 4.783 4.120 -0.000 0.000 0.307 367 V C 0.234 176.403 176.094 0.125 0.000 1.051 367 V CA -1.117 61.188 62.300 0.009 0.000 0.893 367 V CB 2.024 33.724 31.823 -0.206 0.000 0.999 367 V HN 0.246 nan 8.190 nan 0.000 0.426 368 I N 2.609 123.183 120.570 0.007 0.000 2.525 368 I HA 0.430 4.599 4.170 -0.000 0.000 0.301 368 I C -0.465 175.648 176.117 -0.007 0.000 0.992 368 I CA -0.424 60.810 61.300 -0.110 0.000 1.162 368 I CB 2.112 39.884 38.000 -0.380 0.000 1.332 368 I HN 0.573 nan 8.210 nan 0.000 0.458 369 D N 3.778 124.196 120.400 0.030 0.000 2.380 369 D HA 0.175 4.815 4.640 -0.000 0.000 0.230 369 D C 0.918 177.292 176.300 0.123 0.000 1.154 369 D CA 0.110 54.137 54.000 0.044 0.000 0.859 369 D CB 1.372 42.186 40.800 0.023 0.000 1.045 369 D HN 0.537 nan 8.370 nan 0.000 0.495 370 S N 1.571 117.335 115.700 0.105 0.000 2.506 370 S HA 0.009 4.479 4.470 -0.000 0.000 0.219 370 S C 0.792 175.452 174.600 0.099 0.000 1.031 370 S CA -0.392 57.883 58.200 0.126 0.000 0.911 370 S CB 0.274 63.495 63.200 0.035 0.000 0.812 370 S HN 0.329 nan 8.310 nan 0.000 0.497 371 N N 1.728 120.472 118.700 0.074 0.000 2.431 371 N HA 0.272 5.012 4.740 -0.000 0.000 0.265 371 N C -0.975 174.532 175.510 -0.006 0.000 1.184 371 N CA 0.344 53.398 53.050 0.006 0.000 0.943 371 N CB 0.348 38.824 38.487 -0.018 0.000 1.080 371 N HN 0.427 nan 8.380 nan 0.000 0.477 372 M N 3.127 122.634 119.600 -0.157 0.000 2.578 372 M HA 0.456 4.936 4.480 -0.000 0.000 0.321 372 M C -0.034 176.110 176.300 -0.260 0.000 1.182 372 M CA -0.885 54.219 55.300 -0.325 0.000 0.965 372 M CB 1.961 34.261 32.600 -0.500 0.000 1.694 372 M HN 0.233 nan 8.290 nan 0.000 0.461 373 I N 1.620 122.009 120.570 -0.302 0.000 2.496 373 I HA 0.139 4.309 4.170 -0.000 0.000 0.285 373 I C -0.126 175.839 176.117 -0.253 0.000 1.080 373 I CA -0.213 60.906 61.300 -0.301 0.000 1.404 373 I CB 0.273 38.022 38.000 -0.419 0.000 1.403 373 I HN 0.544 nan 8.210 nan 0.000 0.539 374 Q N 7.133 126.812 119.800 -0.201 0.000 2.316 374 Q HA 0.538 4.878 4.340 -0.000 0.000 0.264 374 Q C -2.279 173.635 176.000 -0.144 0.000 0.987 374 Q CA -1.496 54.206 55.803 -0.167 0.000 0.852 374 Q CB 1.533 30.189 28.738 -0.136 0.000 1.287 374 Q HN 0.448 nan 8.270 nan 0.000 0.448 375 P HA 0.218 nan 4.420 nan 0.000 0.285 375 P C -1.153 176.035 177.300 -0.186 0.000 1.269 375 P CA -0.804 62.208 63.100 -0.147 0.000 0.844 375 P CB 0.972 32.603 31.700 -0.115 0.000 1.094 376 Q N 2.664 122.344 119.800 -0.201 0.000 2.520 376 Q HA 0.008 4.348 4.340 -0.000 0.000 0.320 376 Q C -1.638 174.202 176.000 -0.266 0.000 1.104 376 Q CA -0.888 54.768 55.803 -0.245 0.000 1.062 376 Q CB -0.007 28.601 28.738 -0.217 0.000 1.005 376 Q HN 0.256 nan 8.270 nan 0.000 0.390 377 P HA -0.027 nan 4.420 nan 0.000 0.272 377 P C -0.383 176.652 177.300 -0.441 0.000 1.230 377 P CA -0.016 62.814 63.100 -0.451 0.000 0.788 377 P CB 0.813 32.053 31.700 -0.766 0.000 0.949 378 E N 1.347 121.393 120.200 -0.257 0.000 2.114 378 E HA -0.266 4.083 4.350 -0.000 0.000 0.199 378 E C 1.878 178.437 176.600 -0.069 0.000 1.008 378 E CA 2.044 58.376 56.400 -0.113 0.000 0.810 378 E CB -1.542 28.149 29.700 -0.014 0.000 0.739 378 E HN 0.670 nan 8.360 nan 0.000 0.456 379 Y N 0.127 120.428 120.300 0.001 0.000 2.421 379 Y HA 0.117 4.667 4.550 -0.000 0.000 0.292 379 Y C 0.993 176.883 175.900 -0.016 0.000 1.136 379 Y CA 0.474 58.565 58.100 -0.016 0.000 1.255 379 Y CB -0.507 37.957 38.460 0.006 0.000 0.991 379 Y HN -0.118 nan 8.280 nan 0.000 0.552 380 S N 0.534 116.150 115.700 -0.140 0.000 2.474 380 S HA 0.577 5.047 4.470 -0.000 0.000 0.276 380 S C 1.032 175.610 174.600 -0.037 0.000 1.227 380 S CA -0.065 58.100 58.200 -0.057 0.000 1.050 380 S CB 0.866 63.928 63.200 -0.230 0.000 0.939 380 S HN 0.583 nan 8.310 nan 0.000 0.490 381 A N 4.669 127.507 122.820 0.029 0.000 2.044 381 A HA 0.466 4.786 4.320 -0.000 0.000 0.213 381 A C 0.179 177.855 177.584 0.154 0.000 1.169 381 A CA 0.132 52.207 52.037 0.064 0.000 0.724 381 A CB 0.069 19.110 19.000 0.068 0.000 0.840 381 A HN 0.879 nan 8.150 nan 0.000 0.463 382 F N -0.457 119.450 119.950 -0.072 0.000 2.669 382 F HA 0.549 5.076 4.527 -0.000 0.000 0.315 382 F C -1.602 174.113 175.800 -0.142 0.000 1.109 382 F CA -0.955 57.011 58.000 -0.057 0.000 1.028 382 F CB 0.974 39.983 39.000 0.014 0.000 1.287 382 F HN 0.170 nan 8.300 nan 0.000 0.452 383 R N 3.712 123.821 120.500 -0.652 0.000 2.626 383 R HA 0.731 5.071 4.340 -0.000 0.000 0.274 383 R C -1.850 174.209 176.300 -0.401 0.000 1.031 383 R CA -1.083 54.804 56.100 -0.355 0.000 0.898 383 R CB 2.404 32.562 30.300 -0.238 0.000 1.222 383 R HN 0.666 nan 8.270 nan 0.000 0.455 384 E N 1.415 121.611 120.200 -0.007 0.000 2.354 384 E HA 0.473 4.823 4.350 -0.000 0.000 0.283 384 E C -1.386 175.404 176.600 0.316 0.000 0.938 384 E CA -0.850 55.627 56.400 0.130 0.000 0.777 384 E CB 2.104 31.985 29.700 0.301 0.000 1.222 384 E HN 0.780 nan 8.360 nan 0.000 0.423 385 A N 2.910 125.888 122.820 0.263 0.000 3.126 385 A HA 0.462 4.782 4.320 -0.000 0.000 0.268 385 A C -0.595 177.065 177.584 0.128 0.000 1.605 385 A CA -0.073 52.091 52.037 0.212 0.000 1.305 385 A CB -0.097 19.001 19.000 0.164 0.000 1.160 385 A HN 0.302 nan 8.150 nan 0.000 0.609 386 S N -0.272 115.597 115.700 0.281 0.000 2.599 386 S HA 0.743 5.213 4.470 -0.000 0.000 0.287 386 S C -0.771 173.964 174.600 0.225 0.000 1.105 386 S CA -0.443 57.863 58.200 0.176 0.000 0.899 386 S CB 0.770 64.144 63.200 0.289 0.000 1.100 386 S HN 0.379 nan 8.310 nan 0.000 0.482 387 F N 1.670 121.725 119.950 0.177 0.000 2.399 387 F HA 0.680 5.207 4.527 -0.000 0.000 0.342 387 F C 1.199 177.043 175.800 0.074 0.000 1.106 387 F CA 0.220 58.298 58.000 0.131 0.000 1.196 387 F CB 0.936 39.964 39.000 0.047 0.000 1.163 387 F HN 0.744 nan 8.300 nan 0.000 0.547 388 G N 1.328 110.335 108.800 0.346 0.000 2.342 388 G HA2 0.487 4.447 3.960 -0.000 0.000 0.297 388 G HA3 0.487 4.447 3.960 -0.000 0.000 0.297 388 G C -2.090 172.982 174.900 0.286 0.000 1.313 388 G CA -0.828 44.353 45.100 0.135 0.000 0.830 388 G HN 0.911 nan 8.290 nan 0.000 0.506 389 H N -2.269 116.857 119.070 0.093 0.000 2.941 389 H HA 0.868 5.424 4.556 -0.000 0.000 0.344 389 H C 0.142 175.558 175.328 0.147 0.000 1.235 389 H CA -0.569 55.550 56.048 0.118 0.000 1.149 389 H CB 1.778 31.569 29.762 0.048 0.000 1.885 389 H HN 1.091 nan 8.280 nan 0.000 0.558 390 G N 0.181 109.034 108.800 0.089 0.000 2.714 390 G HA2 0.594 4.554 3.960 -0.000 0.000 0.292 390 G HA3 0.594 4.554 3.960 -0.000 0.000 0.292 390 G C -1.325 173.583 174.900 0.014 0.000 1.308 390 G CA -1.192 43.887 45.100 -0.035 0.000 0.964 390 G HN 0.510 nan 8.290 nan 0.000 0.484 391 M N 0.500 120.014 119.600 -0.143 0.000 2.324 391 M HA 0.343 4.823 4.480 -0.000 0.000 0.288 391 M C -2.076 174.254 176.300 0.050 0.000 1.097 391 M CA -0.459 54.843 55.300 0.003 0.000 0.928 391 M CB 2.433 35.001 32.600 -0.054 0.000 1.648 391 M HN 0.511 nan 8.290 nan 0.000 0.460 392 F N 3.175 123.148 119.950 0.038 0.000 2.430 392 F HA 0.374 4.901 4.527 -0.000 0.000 0.362 392 F C -0.435 175.371 175.800 0.009 0.000 1.103 392 F CA -0.569 57.468 58.000 0.061 0.000 1.045 392 F CB 0.492 39.545 39.000 0.089 0.000 1.276 392 F HN 0.456 nan 8.300 nan 0.000 0.444 393 D N 7.004 127.188 120.400 -0.360 0.000 2.428 393 D HA 0.262 4.902 4.640 -0.000 0.000 0.221 393 D C -0.010 176.066 176.300 -0.373 0.000 1.123 393 D CA -0.062 53.777 54.000 -0.270 0.000 0.869 393 D CB 0.532 41.215 40.800 -0.195 0.000 1.032 393 D HN 0.455 nan 8.370 nan 0.000 0.506 394 I N 3.908 124.332 120.570 -0.244 0.000 2.529 394 I HA 0.063 4.233 4.170 -0.000 0.000 0.284 394 I C 1.658 177.774 176.117 -0.000 0.000 1.082 394 I CA -0.180 60.979 61.300 -0.235 0.000 1.406 394 I CB 1.084 39.014 38.000 -0.117 0.000 1.405 394 I HN 0.225 nan 8.210 nan 0.000 0.548 395 K N 3.856 124.338 120.400 0.136 0.000 2.354 395 K HA 0.312 4.632 4.320 -0.000 0.000 0.210 395 K C 0.150 176.900 176.600 0.250 0.000 1.184 395 K CA 0.496 56.915 56.287 0.220 0.000 0.880 395 K CB 0.289 32.997 32.500 0.347 0.000 1.328 395 K HN 0.580 nan 8.250 nan 0.000 0.466 396 N N 0.182 119.104 118.700 0.370 0.000 3.343 396 N HA 0.160 4.900 4.740 -0.000 0.000 0.330 396 N C 0.630 176.403 175.510 0.438 0.000 1.560 396 N CA -0.365 52.863 53.050 0.297 0.000 0.752 396 N CB 0.878 39.507 38.487 0.237 0.000 1.863 396 N HN -0.035 nan 8.380 nan 0.000 0.636 397 R N -0.728 119.890 120.500 0.196 0.000 2.299 397 R HA 0.067 4.407 4.340 -0.000 0.000 0.197 397 R C 0.857 177.203 176.300 0.076 0.000 0.971 397 R CA 1.362 57.477 56.100 0.025 0.000 1.030 397 R CB -0.415 29.615 30.300 -0.449 0.000 0.932 397 R HN 0.600 nan 8.270 nan 0.000 0.477 398 T N -3.486 111.241 114.554 0.289 0.000 2.999 398 T HA 0.188 4.538 4.350 -0.000 0.000 0.247 398 T C 0.533 175.567 174.700 0.556 0.000 1.012 398 T CA -0.183 62.112 62.100 0.325 0.000 1.048 398 T CB -0.015 68.907 68.868 0.091 0.000 1.020 398 T HN 0.191 nan 8.240 nan 0.000 0.478 399 H N 0.892 120.386 119.070 0.706 0.000 2.572 399 H HA 0.765 5.321 4.556 -0.000 0.000 0.359 399 H C -1.052 174.693 175.328 0.695 0.000 1.134 399 H CA -0.772 55.776 56.048 0.833 0.000 1.187 399 H CB 2.151 32.295 29.762 0.637 0.000 1.597 399 H HN 0.456 nan 8.280 nan 0.000 0.524 400 A N 2.549 125.695 122.820 0.543 0.000 2.517 400 A HA 0.250 4.570 4.320 -0.000 0.000 0.297 400 A C -1.636 175.756 177.584 -0.319 0.000 1.050 400 A CA -0.642 51.236 52.037 -0.265 0.000 0.694 400 A CB 1.606 19.852 19.000 -1.258 0.000 1.277 400 A HN 0.871 nan 8.150 nan 0.000 0.400 401 H N 2.606 121.200 119.070 -0.792 0.000 2.511 401 H HA 0.587 5.143 4.556 -0.000 0.000 0.328 401 H C -1.805 173.194 175.328 -0.548 0.000 1.044 401 H CA -0.458 55.010 56.048 -0.967 0.000 1.212 401 H CB 0.933 29.803 29.762 -1.487 0.000 1.428 401 H HN 0.599 nan 8.280 nan 0.000 0.483 402 F N 3.950 123.468 119.950 -0.721 0.000 2.399 402 F HA 0.411 4.938 4.527 -0.000 0.000 0.334 402 F C -0.886 174.577 175.800 -0.561 0.000 1.097 402 F CA -0.267 57.474 58.000 -0.431 0.000 1.076 402 F CB 1.345 40.387 39.000 0.069 0.000 1.162 402 F HN 0.425 nan 8.300 nan 0.000 0.495 403 S N 4.018 118.875 115.700 -1.406 0.000 2.569 403 S HA 0.476 4.946 4.470 -0.000 0.000 0.280 403 S C -2.078 171.945 174.600 -0.962 0.000 1.111 403 S CA -0.679 56.951 58.200 -0.950 0.000 0.887 403 S CB 1.720 64.553 63.200 -0.611 0.000 1.095 403 S HN 0.763 nan 8.310 nan 0.000 0.476 404 W N 3.386 124.242 121.300 -0.740 0.000 2.647 404 W HA 0.505 5.165 4.660 -0.000 0.000 0.328 404 W C -1.259 174.982 176.519 -0.463 0.000 1.018 404 W CA -0.684 56.272 57.345 -0.648 0.000 1.245 404 W CB 0.917 29.935 29.460 -0.737 0.000 1.356 404 W HN 0.775 nan 8.180 nan 0.000 0.443 405 N N 5.927 124.157 118.700 -0.783 0.000 2.425 405 N HA 0.381 5.121 4.740 -0.000 0.000 0.268 405 N C -0.391 174.614 175.510 -0.842 0.000 0.991 405 N CA -0.340 52.305 53.050 -0.675 0.000 0.931 405 N CB 0.996 39.235 38.487 -0.414 0.000 1.130 405 N HN 0.534 nan 8.380 nan 0.000 0.493 406 R N 2.319 122.338 120.500 -0.801 0.000 2.582 406 R HA 0.116 4.456 4.340 -0.000 0.000 0.271 406 R C 0.886 177.054 176.300 -0.219 0.000 1.078 406 R CA -0.587 55.106 56.100 -0.678 0.000 1.127 406 R CB 0.529 30.479 30.300 -0.583 0.000 1.038 406 R HN 0.596 nan 8.270 nan 0.000 0.500 407 N N 1.423 120.016 118.700 -0.178 0.000 2.309 407 N HA -0.134 4.605 4.740 -0.000 0.000 0.182 407 N C 1.254 176.761 175.510 -0.004 0.000 1.018 407 N CA 1.272 54.181 53.050 -0.235 0.000 0.876 407 N CB 0.142 38.538 38.487 -0.153 0.000 0.972 407 N HN 0.477 nan 8.380 nan 0.000 0.434 408 Q N 0.229 120.037 119.800 0.013 0.000 2.172 408 Q HA 0.008 4.348 4.340 -0.000 0.000 0.200 408 Q C 0.021 176.058 176.000 0.062 0.000 0.964 408 Q CA 0.712 56.543 55.803 0.045 0.000 0.855 408 Q CB 0.066 28.819 28.738 0.025 0.000 0.918 408 Q HN 0.359 nan 8.270 nan 0.000 0.444 409 D N 0.015 120.440 120.400 0.041 0.000 2.414 409 D HA 0.259 4.899 4.640 -0.000 0.000 0.251 409 D C 0.410 176.731 176.300 0.035 0.000 1.252 409 D CA 0.143 54.151 54.000 0.014 0.000 0.999 409 D CB 0.154 40.924 40.800 -0.051 0.000 1.093 409 D HN 0.173 nan 8.370 nan 0.000 0.515 410 G N -0.979 107.794 108.800 -0.045 0.000 2.537 410 G HA2 0.285 4.245 3.960 -0.000 0.000 0.273 410 G HA3 0.285 4.245 3.960 -0.000 0.000 0.273 410 G C 1.213 175.978 174.900 -0.226 0.000 1.189 410 G CA -0.617 44.410 45.100 -0.121 0.000 0.881 410 G HN 0.248 nan 8.290 nan 0.000 0.535 411 V N 1.079 120.777 119.914 -0.360 0.000 2.439 411 V HA -0.260 3.860 4.120 -0.000 0.000 0.253 411 V C 2.831 178.820 176.094 -0.175 0.000 1.074 411 V CA 2.633 64.713 62.300 -0.366 0.000 1.076 411 V CB -0.617 31.030 31.823 -0.294 0.000 0.664 411 V HN 0.837 nan 8.190 nan 0.000 0.461 412 A N -1.193 121.548 122.820 -0.131 0.000 2.387 412 A HA 0.326 4.646 4.320 -0.000 0.000 0.234 412 A C 0.748 178.285 177.584 -0.079 0.000 1.253 412 A CA 0.007 51.989 52.037 -0.090 0.000 0.894 412 A CB 0.151 19.108 19.000 -0.072 0.000 0.963 412 A HN 0.291 nan 8.150 nan 0.000 0.508 413 V N 2.160 122.019 119.914 -0.091 0.000 2.339 413 V HA 0.102 4.222 4.120 -0.000 0.000 0.261 413 V C -0.203 175.823 176.094 -0.113 0.000 1.058 413 V CA -0.383 61.869 62.300 -0.079 0.000 0.897 413 V CB 0.270 32.054 31.823 -0.066 0.000 1.052 413 V HN 0.481 nan 8.190 nan 0.000 0.480 414 E N 3.589 123.734 120.200 -0.092 0.000 2.029 414 E HA 0.277 4.627 4.350 -0.000 0.000 0.276 414 E C 1.033 177.587 176.600 -0.076 0.000 1.163 414 E CA 0.019 56.347 56.400 -0.119 0.000 0.909 414 E CB 1.131 30.782 29.700 -0.081 0.000 1.046 414 E HN 0.792 nan 8.360 nan 0.000 0.406 415 A N 3.750 126.501 122.820 -0.116 0.000 2.209 415 A HA -0.067 4.253 4.320 -0.000 0.000 0.212 415 A C 0.475 178.142 177.584 0.137 0.000 1.158 415 A CA 0.724 52.770 52.037 0.015 0.000 0.742 415 A CB 0.112 19.057 19.000 -0.092 0.000 0.790 415 A HN 0.576 nan 8.150 nan 0.000 0.472 416 D N -2.043 118.385 120.400 0.047 0.000 2.803 416 D HA 0.487 5.127 4.640 -0.000 0.000 0.218 416 D C -1.141 175.123 176.300 -0.059 0.000 1.245 416 D CA 0.348 54.295 54.000 -0.089 0.000 0.821 416 D CB 1.455 42.072 40.800 -0.304 0.000 1.626 416 D HN 0.079 nan 8.370 nan 0.000 0.487 417 S N 1.775 117.466 115.700 -0.015 0.000 2.537 417 S HA 0.809 5.279 4.470 -0.000 0.000 0.271 417 S C -1.999 172.673 174.600 0.120 0.000 1.148 417 S CA -0.452 57.760 58.200 0.020 0.000 0.868 417 S CB 1.251 64.520 63.200 0.115 0.000 1.115 417 S HN 0.443 nan 8.310 nan 0.000 0.461 418 V N 2.463 122.460 119.914 0.139 0.000 3.147 418 V HA 0.574 4.694 4.120 -0.000 0.000 0.299 418 V C -1.592 174.604 176.094 0.171 0.000 1.302 418 V CA -0.731 61.679 62.300 0.183 0.000 1.015 418 V CB 2.026 33.966 31.823 0.196 0.000 1.086 418 V HN 0.970 nan 8.190 nan 0.000 0.437 419 W N 1.981 123.365 121.300 0.140 0.000 2.551 419 W HA 0.778 5.438 4.660 -0.000 0.000 0.330 419 W C -0.765 175.639 176.519 -0.190 0.000 1.063 419 W CA -0.275 57.123 57.345 0.089 0.000 1.222 419 W CB 1.580 31.026 29.460 -0.024 0.000 1.349 419 W HN 0.350 nan 8.180 nan 0.000 0.536 420 F N 3.077 123.047 119.950 0.032 0.000 2.469 420 F HA 0.477 5.004 4.527 -0.000 0.000 0.332 420 F C -0.547 175.355 175.800 0.171 0.000 1.103 420 F CA -1.039 56.998 58.000 0.061 0.000 0.979 420 F CB 0.765 39.931 39.000 0.276 0.000 1.137 420 F HN -0.058 nan 8.300 nan 0.000 0.463 421 F N 2.358 122.584 119.950 0.461 0.000 2.427 421 F HA 0.243 4.770 4.527 -0.000 0.000 0.346 421 F C 0.574 176.567 175.800 0.322 0.000 1.120 421 F CA -1.669 56.537 58.000 0.343 0.000 1.033 421 F CB 0.749 39.856 39.000 0.177 0.000 1.126 421 F HN 0.372 nan 8.300 nan 0.000 0.462 422 N N 3.612 122.548 118.700 0.393 0.000 2.374 422 N HA -0.089 4.651 4.740 -0.000 0.000 0.269 422 N C 1.138 176.716 175.510 0.114 0.000 1.310 422 N CA 0.012 53.042 53.050 -0.033 0.000 0.877 422 N CB 0.562 38.870 38.487 -0.299 0.000 1.096 422 N HN 0.476 nan 8.380 nan 0.000 0.484 423 R N 1.999 122.557 120.500 0.096 0.000 2.371 423 R HA -0.187 4.153 4.340 -0.000 0.000 0.226 423 R C 1.077 177.403 176.300 0.045 0.000 1.132 423 R CA 1.051 57.198 56.100 0.078 0.000 1.027 423 R CB -0.736 29.609 30.300 0.075 0.000 0.848 423 R HN 0.753 nan 8.270 nan 0.000 0.479 424 H N -2.873 116.149 119.070 -0.080 0.000 2.800 424 H HA 0.058 4.614 4.556 -0.000 0.000 0.257 424 H C 1.033 176.152 175.328 -0.350 0.000 0.967 424 H CA 0.208 56.124 56.048 -0.219 0.000 1.192 424 H CB 0.151 29.746 29.762 -0.279 0.000 1.441 424 H HN 0.062 nan 8.280 nan 0.000 0.461 425 W N -0.570 120.777 121.300 0.078 0.000 3.177 425 W HA 0.256 4.916 4.660 -0.000 0.000 0.309 425 W C -0.615 176.008 176.519 0.173 0.000 1.224 425 W CA -0.167 57.225 57.345 0.080 0.000 1.718 425 W CB 0.752 30.274 29.460 0.104 0.000 1.078 425 W HN 0.137 nan 8.180 nan 0.000 0.618 426 Y N 0.967 121.336 120.300 0.115 0.000 2.882 426 Y HA 0.233 4.783 4.550 -0.000 0.000 0.251 426 Y C -2.741 173.178 175.900 0.032 0.000 0.961 426 Y CA -2.869 55.264 58.100 0.055 0.000 1.175 426 Y CB 0.196 38.707 38.460 0.085 0.000 1.155 426 Y HN -0.239 nan 8.280 nan 0.000 0.568 427 P HA 0.116 nan 4.420 nan 0.000 0.235 427 P C -0.251 176.934 177.300 -0.191 0.000 1.765 427 P CA 0.549 63.593 63.100 -0.094 0.000 1.034 427 P CB -0.222 31.427 31.700 -0.084 0.000 1.984 428 V N -1.889 117.846 119.914 -0.298 0.000 2.769 428 V HA 0.468 4.588 4.120 -0.000 0.000 0.312 428 V C 0.193 176.286 176.094 -0.001 0.000 1.058 428 V CA -1.082 61.033 62.300 -0.307 0.000 0.952 428 V CB 1.953 33.349 31.823 -0.712 0.000 1.019 428 V HN 0.061 nan 8.190 nan 0.000 0.445 429 D N 3.135 123.544 120.400 0.016 0.000 2.383 429 D HA -0.037 4.603 4.640 -0.000 0.000 0.275 429 D C 0.253 176.681 176.300 0.214 0.000 1.344 429 D CA 0.493 54.544 54.000 0.084 0.000 0.984 429 D CB 0.952 41.774 40.800 0.038 0.000 1.104 429 D HN 0.882 nan 8.370 nan 0.000 0.524 430 D N 0.762 121.284 120.400 0.204 0.000 2.354 430 D HA -0.059 4.581 4.640 -0.000 0.000 0.209 430 D C 0.358 176.635 176.300 -0.038 0.000 1.015 430 D CA -0.192 53.845 54.000 0.062 0.000 0.867 430 D CB -0.193 40.398 40.800 -0.349 0.000 0.933 430 D HN 0.003 nan 8.370 nan 0.000 0.520 431 S N 0.783 116.470 115.700 -0.022 0.000 2.507 431 S HA 0.429 4.899 4.470 -0.000 0.000 0.299 431 S C 0.135 174.735 174.600 0.001 0.000 1.214 431 S CA 0.148 58.327 58.200 -0.036 0.000 1.137 431 S CB -0.402 62.779 63.200 -0.031 0.000 1.009 431 S HN 0.551 nan 8.310 nan 0.000 0.512 432 T N 0.000 114.554 114.554 0.001 0.000 3.816 432 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 432 T CA 0.000 62.118 62.100 0.030 0.000 1.349 432 T CB 0.000 68.897 68.868 0.048 0.000 0.612 432 T HN 0.000 nan 8.240 nan 0.000 0.658