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 2itm_1_B DATA FIRST_RESID 1 DATA SEQUENCE MYIGIDLGTS GVKVILLNEQ GEVVAAQTEK LTVSRPHPLW SEQDPEQWWQ DATA SEQUENCE ATDRAMKALG DQHSLQDVKA LGIAGQMHGA TLLDAQQRVL RPAILWNDGR DATA SEQUENCE CAQECTLLEA RVPQSRVITG NLMMPGFTAP KLLWVQRHEP EIFRQIDKVL DATA SEQUENCE LPKDYLRLRM TGEFASDMSD AAGTMWLDVA KRDWSDVMLQ ACDLSRDQMP DATA SEQUENCE ALYEGSEITG ALLPEVAKAW GMATVPVVAG GGDNAAGAVG VGMVDANQAM DATA SEQUENCE LSLGTSGVYF AVSEGFLSKP ESAVHSFCHA LPQRWHLMSV MLSAASCLDW DATA SEQUENCE AAKLTGLSNV PALIAAAQQA DESAEPVWFL PYLSXXXXXX XXXQAKGVFF DATA SEQUENCE GLTHQHGPNE LARAVLEGVG YALADGMDVV HACGIKPQSV TLIGGGARSE DATA SEQUENCE YWRQMLADIS GQQLDYRTGG DVGPALGAAR LAQIAANPEK SLIELLPQLP DATA SEQUENCE LEQSHLPDAQ RYAAYQPRRE TFRRLYQQLL PLMA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.792 176.300 -0.847 0.000 1.140 1 M CA 0.000 54.980 55.300 -0.534 0.000 0.988 1 M CB 0.000 32.432 32.600 -0.280 0.000 1.302 2 Y N 2.465 122.728 120.300 -0.062 0.000 2.553 2 Y HA 0.782 5.332 4.550 0.000 0.000 0.347 2 Y C -0.111 175.743 175.900 -0.077 0.000 1.019 2 Y CA -1.141 56.924 58.100 -0.059 0.000 1.032 2 Y CB 1.780 40.209 38.460 -0.053 0.000 1.284 2 Y HN 0.463 nan 8.280 nan 0.000 0.466 3 I N 1.941 122.563 120.570 0.087 0.000 2.378 3 I HA 0.500 4.670 4.170 0.000 0.000 0.291 3 I C 0.276 176.387 176.117 -0.011 0.000 0.992 3 I CA -0.775 60.520 61.300 -0.008 0.000 1.154 3 I CB 1.072 39.042 38.000 -0.049 0.000 1.315 3 I HN 0.775 nan 8.210 nan 0.000 0.448 4 G N 7.157 115.931 108.800 -0.044 0.000 2.478 4 G HA2 0.725 4.685 3.960 0.000 0.000 0.317 4 G HA3 0.725 4.685 3.960 0.000 0.000 0.317 4 G C -0.769 174.087 174.900 -0.074 0.000 1.259 4 G CA -0.355 44.713 45.100 -0.054 0.000 0.933 4 G HN 0.442 nan 8.290 nan 0.000 0.478 5 I N 1.675 122.207 120.570 -0.064 0.000 2.377 5 I HA 0.266 4.436 4.170 0.000 0.000 0.293 5 I C -1.018 175.063 176.117 -0.060 0.000 0.987 5 I CA -0.699 60.562 61.300 -0.066 0.000 1.185 5 I CB 2.284 40.258 38.000 -0.043 0.000 1.341 5 I HN 0.325 nan 8.210 nan 0.000 0.455 6 D N 7.099 127.459 120.400 -0.066 0.000 2.440 6 D HA 0.229 4.869 4.640 0.000 0.000 0.239 6 D C -0.800 175.457 176.300 -0.072 0.000 1.084 6 D CA -0.359 53.596 54.000 -0.074 0.000 0.843 6 D CB 1.399 42.153 40.800 -0.076 0.000 1.097 6 D HN 0.355 nan 8.370 nan 0.000 0.531 7 L N 4.566 125.732 121.223 -0.096 0.000 2.401 7 L HA 0.462 4.802 4.340 0.000 0.000 0.283 7 L C 0.623 177.408 176.870 -0.141 0.000 1.151 7 L CA -0.260 54.499 54.840 -0.134 0.000 0.942 7 L CB -0.151 41.772 42.059 -0.226 0.000 1.283 7 L HN 0.457 nan 8.230 nan 0.000 0.442 8 G N 2.189 110.945 108.800 -0.073 0.000 2.543 8 G HA2 0.236 4.196 3.960 0.000 0.000 0.290 8 G HA3 0.236 4.196 3.960 0.000 0.000 0.290 8 G C 0.638 175.561 174.900 0.038 0.000 1.310 8 G CA -0.102 44.979 45.100 -0.032 0.000 1.025 8 G HN 0.546 nan 8.290 nan 0.000 0.502 9 T N -0.225 114.402 114.554 0.123 0.000 2.939 9 T HA -0.018 4.332 4.350 0.000 0.000 0.254 9 T C 2.687 177.499 174.700 0.187 0.000 1.041 9 T CA 1.437 63.679 62.100 0.237 0.000 1.142 9 T CB -0.070 69.052 68.868 0.423 0.000 0.874 9 T HN 0.292 nan 8.240 nan 0.000 0.452 10 S N -0.102 115.683 115.700 0.142 0.000 2.446 10 S HA 0.430 4.900 4.470 0.000 0.000 0.225 10 S C 0.974 175.628 174.600 0.091 0.000 1.016 10 S CA 0.552 58.819 58.200 0.112 0.000 0.943 10 S CB 0.186 63.442 63.200 0.094 0.000 0.786 10 S HN 0.693 nan 8.310 nan 0.000 0.508 11 G N 0.300 109.146 108.800 0.077 0.000 2.427 11 G HA2 0.404 4.364 3.960 0.000 0.000 0.306 11 G HA3 0.404 4.364 3.960 0.000 0.000 0.306 11 G C -1.347 173.575 174.900 0.038 0.000 1.280 11 G CA -0.197 44.945 45.100 0.069 0.000 0.837 11 G HN 0.460 nan 8.290 nan 0.000 0.482 12 V N -1.378 118.553 119.914 0.030 0.000 2.439 12 V HA 0.852 4.972 4.120 0.000 0.000 0.282 12 V C -0.193 175.888 176.094 -0.022 0.000 1.039 12 V CA -0.784 61.516 62.300 -0.001 0.000 0.913 12 V CB 1.184 33.011 31.823 0.008 0.000 0.983 12 V HN 0.880 nan 8.190 nan 0.000 0.460 13 K N 4.239 124.616 120.400 -0.039 0.000 2.292 13 K HA 0.783 5.103 4.320 0.000 0.000 0.257 13 K C -0.945 175.611 176.600 -0.073 0.000 0.940 13 K CA -0.701 55.555 56.287 -0.051 0.000 0.811 13 K CB 2.143 34.616 32.500 -0.045 0.000 1.120 13 K HN 1.079 nan 8.250 nan 0.000 0.428 14 V N 3.245 123.104 119.914 -0.091 0.000 2.680 14 V HA 0.727 4.847 4.120 0.000 0.000 0.309 14 V C -0.433 175.595 176.094 -0.111 0.000 1.052 14 V CA -0.767 61.462 62.300 -0.119 0.000 0.908 14 V CB 1.143 32.859 31.823 -0.179 0.000 1.001 14 V HN 0.853 nan 8.190 nan 0.000 0.431 15 I N 1.589 122.095 120.570 -0.107 0.000 3.206 15 I HA 0.722 4.893 4.170 0.000 0.000 0.313 15 I C -1.378 174.676 176.117 -0.106 0.000 1.103 15 I CA -1.234 60.008 61.300 -0.098 0.000 0.985 15 I CB 2.490 40.443 38.000 -0.077 0.000 1.240 15 I HN 0.700 nan 8.210 nan 0.000 0.464 16 L N 3.466 124.623 121.223 -0.110 0.000 2.406 16 L HA 0.523 4.863 4.340 0.000 0.000 0.270 16 L C -1.483 175.323 176.870 -0.107 0.000 0.982 16 L CA -0.614 54.149 54.840 -0.129 0.000 0.843 16 L CB 1.734 43.670 42.059 -0.205 0.000 1.225 16 L HN 0.643 nan 8.230 nan 0.000 0.412 17 L N 4.430 125.625 121.223 -0.047 0.000 2.307 17 L HA 0.363 4.703 4.340 0.000 0.000 0.282 17 L C -0.124 176.743 176.870 -0.004 0.000 1.051 17 L CA -0.655 54.182 54.840 -0.005 0.000 0.804 17 L CB 1.803 43.898 42.059 0.060 0.000 1.197 17 L HN 0.692 nan 8.230 nan 0.000 0.431 18 N N 1.830 120.516 118.700 -0.022 0.000 2.467 18 N HA -0.017 4.723 4.740 0.000 0.000 0.262 18 N C 0.527 176.070 175.510 0.055 0.000 1.234 18 N CA -0.378 52.657 53.050 -0.025 0.000 0.952 18 N CB 0.550 39.015 38.487 -0.037 0.000 1.158 18 N HN 0.492 nan 8.380 nan 0.000 0.463 19 E N -0.311 119.904 120.200 0.025 0.000 2.271 19 E HA -0.301 4.049 4.350 0.000 0.000 0.209 19 E C 0.152 176.812 176.600 0.100 0.000 1.046 19 E CA 1.847 58.310 56.400 0.104 0.000 0.840 19 E CB -0.217 29.503 29.700 0.033 0.000 0.738 19 E HN 0.710 nan 8.360 nan 0.000 0.470 20 Q N -1.616 118.212 119.800 0.046 0.000 2.179 20 Q HA 0.452 4.792 4.340 0.000 0.000 0.174 20 Q C 1.536 177.549 176.000 0.022 0.000 1.044 20 Q CA 0.372 56.190 55.803 0.025 0.000 1.105 20 Q CB 0.242 28.984 28.738 0.007 0.000 1.213 20 Q HN 0.220 nan 8.270 nan 0.000 0.574 21 G N -0.632 108.168 108.800 -0.001 0.000 2.985 21 G HA2 -0.004 3.956 3.960 0.000 0.000 0.209 21 G HA3 -0.004 3.956 3.960 0.000 0.000 0.209 21 G C -0.423 174.466 174.900 -0.020 0.000 1.165 21 G CA -0.026 45.066 45.100 -0.013 0.000 0.776 21 G HN 0.365 nan 8.290 nan 0.000 0.541 22 E N 0.572 120.761 120.200 -0.018 0.000 2.324 22 E HA 0.256 4.606 4.350 0.000 0.000 0.271 22 E C -0.348 176.229 176.600 -0.038 0.000 1.028 22 E CA -0.398 55.985 56.400 -0.028 0.000 0.890 22 E CB 1.840 31.525 29.700 -0.025 0.000 1.004 22 E HN -0.063 nan 8.360 nan 0.000 0.431 23 V N 5.001 124.889 119.914 -0.045 0.000 2.427 23 V HA -0.043 4.077 4.120 0.000 0.000 0.268 23 V C 1.146 177.196 176.094 -0.073 0.000 1.046 23 V CA -0.061 62.203 62.300 -0.059 0.000 0.970 23 V CB 0.986 32.776 31.823 -0.055 0.000 1.001 23 V HN 0.610 nan 8.190 nan 0.000 0.476 24 V N 3.641 123.486 119.914 -0.115 0.000 2.379 24 V HA 0.280 4.400 4.120 0.000 0.000 0.243 24 V C 0.954 176.967 176.094 -0.135 0.000 1.035 24 V CA 1.467 63.674 62.300 -0.155 0.000 1.035 24 V CB -0.283 31.351 31.823 -0.315 0.000 0.673 24 V HN 0.926 nan 8.190 nan 0.000 0.457 25 A N -0.838 121.895 122.820 -0.144 0.000 2.539 25 A HA 0.913 5.233 4.320 0.000 0.000 0.296 25 A C -0.964 176.568 177.584 -0.086 0.000 1.073 25 A CA 0.030 52.011 52.037 -0.094 0.000 0.700 25 A CB 1.810 20.755 19.000 -0.091 0.000 1.296 25 A HN 0.738 nan 8.150 nan 0.000 0.405 26 A N 0.723 123.505 122.820 -0.065 0.000 2.427 26 A HA 0.756 5.076 4.320 0.000 0.000 0.298 26 A C -0.994 176.555 177.584 -0.059 0.000 1.036 26 A CA -0.369 51.629 52.037 -0.065 0.000 0.701 26 A CB 1.782 20.750 19.000 -0.053 0.000 1.250 26 A HN 0.913 nan 8.150 nan 0.000 0.412 27 Q N 0.132 119.889 119.800 -0.071 0.000 2.394 27 Q HA 0.810 5.150 4.340 0.000 0.000 0.273 27 Q C -0.992 174.973 176.000 -0.058 0.000 1.089 27 Q CA -0.060 55.705 55.803 -0.064 0.000 0.812 27 Q CB 2.367 31.057 28.738 -0.080 0.000 1.353 27 Q HN 0.700 nan 8.270 nan 0.000 0.438 28 T N 2.479 117.009 114.554 -0.040 0.000 2.916 28 T HA 0.587 4.937 4.350 0.000 0.000 0.298 28 T C -1.392 173.298 174.700 -0.017 0.000 1.031 28 T CA -0.818 61.265 62.100 -0.028 0.000 0.993 28 T CB 1.147 70.005 68.868 -0.017 0.000 1.045 28 T HN 0.408 nan 8.240 nan 0.000 0.454 29 E N 2.057 122.252 120.200 -0.008 0.000 2.293 29 E HA 0.354 4.704 4.350 0.000 0.000 0.270 29 E C -0.694 175.923 176.600 0.028 0.000 0.879 29 E CA -0.918 55.486 56.400 0.007 0.000 0.756 29 E CB 2.382 32.083 29.700 0.002 0.000 1.208 29 E HN 0.454 nan 8.360 nan 0.000 0.428 30 K N 1.697 122.118 120.400 0.036 0.000 2.185 30 K HA 0.387 4.707 4.320 0.000 0.000 0.271 30 K C -0.210 176.434 176.600 0.073 0.000 1.013 30 K CA -0.777 55.540 56.287 0.051 0.000 0.943 30 K CB 0.829 33.355 32.500 0.043 0.000 0.998 30 K HN 0.143 nan 8.250 nan 0.000 0.468 31 L N 1.752 123.032 121.223 0.095 0.000 2.334 31 L HA 0.345 4.685 4.340 0.000 0.000 0.273 31 L C 0.681 177.610 176.870 0.099 0.000 1.013 31 L CA -0.398 54.515 54.840 0.122 0.000 0.816 31 L CB 1.480 43.652 42.059 0.188 0.000 1.278 31 L HN 0.817 nan 8.230 nan 0.000 0.431 32 T N -0.495 114.110 114.554 0.085 0.000 2.927 32 T HA 0.804 5.154 4.350 0.000 0.000 0.281 32 T C -0.150 174.593 174.700 0.072 0.000 0.998 32 T CA -0.643 61.497 62.100 0.066 0.000 1.019 32 T CB 1.715 70.608 68.868 0.042 0.000 1.061 32 T HN 0.224 nan 8.240 nan 0.000 0.518 33 V N 1.103 121.049 119.914 0.053 0.000 2.769 33 V HA 0.768 4.889 4.120 0.000 0.000 0.312 33 V C 0.121 176.224 176.094 0.014 0.000 1.061 33 V CA -0.982 61.343 62.300 0.042 0.000 0.931 33 V CB 1.760 33.606 31.823 0.039 0.000 1.010 33 V HN 1.155 nan 8.190 nan 0.000 0.433 34 S N 3.092 118.793 115.700 0.002 0.000 2.536 34 S HA 0.743 5.213 4.470 0.000 0.000 0.298 34 S C -0.569 174.028 174.600 -0.005 0.000 1.083 34 S CA -0.813 57.382 58.200 -0.009 0.000 0.995 34 S CB 1.465 64.655 63.200 -0.017 0.000 1.058 34 S HN 0.743 nan 8.310 nan 0.000 0.488 35 R N 3.112 123.599 120.500 -0.022 0.000 2.754 35 R HA 0.267 4.607 4.340 0.000 0.000 0.255 35 R C -2.378 173.862 176.300 -0.101 0.000 1.723 35 R CA -1.071 55.017 56.100 -0.020 0.000 1.596 35 R CB 1.186 31.475 30.300 -0.018 0.000 1.424 35 R HN 0.477 nan 8.270 nan 0.000 0.662 36 P HA 0.094 nan 4.420 nan 0.000 0.252 36 P C -0.309 176.450 177.300 -0.902 0.000 1.218 36 P CA 0.598 63.420 63.100 -0.463 0.000 0.807 36 P CB 0.536 31.950 31.700 -0.476 0.000 1.072 37 H N -2.505 116.291 119.070 -0.456 0.000 2.933 37 H HA 0.398 4.955 4.556 0.000 0.000 0.310 37 H C -2.852 172.209 175.328 -0.446 0.000 1.351 37 H CA -2.252 53.410 56.048 -0.645 0.000 1.137 37 H CB 0.040 29.035 29.762 -1.278 0.000 1.853 37 H HN -0.291 nan 8.280 nan 0.000 0.539 38 P HA 0.222 nan 4.420 nan 0.000 0.280 38 P C 0.475 177.851 177.300 0.128 0.000 1.244 38 P CA -0.080 63.004 63.100 -0.027 0.000 0.784 38 P CB 0.664 32.347 31.700 -0.028 0.000 0.913 39 L N -1.824 119.476 121.223 0.129 0.000 5.044 39 L HA -0.203 4.137 4.340 0.000 0.000 0.412 39 L C -0.444 176.548 176.870 0.203 0.000 0.971 39 L CA 0.548 55.470 54.840 0.136 0.000 1.411 39 L CB -1.603 40.525 42.059 0.115 0.000 1.884 39 L HN 0.451 nan 8.230 nan 0.000 0.631 40 W N 1.176 122.397 121.300 -0.131 0.000 2.365 40 W HA 0.632 5.292 4.660 0.000 0.000 0.316 40 W C 0.687 177.111 176.519 -0.159 0.000 1.164 40 W CA -0.632 56.614 57.345 -0.165 0.000 1.204 40 W CB 1.378 30.757 29.460 -0.136 0.000 1.213 40 W HN -0.086 nan 8.180 nan 0.000 0.539 41 S N 2.921 118.602 115.700 -0.031 0.000 2.776 41 S HA 0.491 4.961 4.470 0.000 0.000 0.284 41 S C -0.960 173.591 174.600 -0.081 0.000 1.160 41 S CA -0.601 57.553 58.200 -0.077 0.000 1.051 41 S CB 0.225 63.313 63.200 -0.187 0.000 1.037 41 S HN 0.483 nan 8.310 nan 0.000 0.485 42 E N 2.767 122.949 120.200 -0.030 0.000 2.343 42 E HA 0.508 4.858 4.350 0.000 0.000 0.270 42 E C -1.072 175.517 176.600 -0.018 0.000 0.895 42 E CA -0.874 55.507 56.400 -0.031 0.000 0.767 42 E CB 2.372 32.059 29.700 -0.023 0.000 1.248 42 E HN 0.578 nan 8.360 nan 0.000 0.440 43 Q N 0.487 120.257 119.800 -0.051 0.000 2.456 43 Q HA 0.295 4.635 4.340 0.000 0.000 0.283 43 Q C -1.517 174.228 176.000 -0.424 0.000 1.084 43 Q CA -0.783 54.933 55.803 -0.146 0.000 0.801 43 Q CB 2.568 31.328 28.738 0.036 0.000 1.434 43 Q HN 0.394 nan 8.270 nan 0.000 0.419 44 D N 0.713 120.831 120.400 -0.470 0.000 2.193 44 D HA 0.200 4.840 4.640 0.000 0.000 0.244 44 D C -1.871 173.893 176.300 -0.893 0.000 1.064 44 D CA -1.945 51.712 54.000 -0.573 0.000 0.845 44 D CB 1.880 42.507 40.800 -0.289 0.000 1.148 44 D HN 0.173 nan 8.370 nan 0.000 0.464 45 P HA -0.159 nan 4.420 nan 0.000 0.216 45 P C 1.068 178.236 177.300 -0.221 0.000 1.150 45 P CA 0.992 63.442 63.100 -1.083 0.000 0.843 45 P CB 0.425 31.280 31.700 -1.408 0.000 0.787 46 E N -0.139 119.997 120.200 -0.107 0.000 2.118 46 E HA -0.245 4.105 4.350 0.000 0.000 0.195 46 E C 2.113 178.848 176.600 0.225 0.000 0.992 46 E CA 1.321 57.822 56.400 0.167 0.000 0.804 46 E CB -0.465 29.291 29.700 0.095 0.000 0.741 46 E HN 0.553 nan 8.360 nan 0.000 0.458 47 Q N -0.085 119.755 119.800 0.066 0.000 2.119 47 Q HA -0.162 4.178 4.340 0.000 0.000 0.201 47 Q C 1.915 178.074 176.000 0.265 0.000 0.972 47 Q CA 1.056 56.925 55.803 0.111 0.000 0.847 47 Q CB -0.445 28.307 28.738 0.023 0.000 0.903 47 Q HN 0.188 nan 8.270 nan 0.000 0.433 48 W N 0.975 122.382 121.300 0.178 0.000 2.302 48 W HA -0.232 4.428 4.660 0.000 0.000 0.320 48 W C 2.235 178.931 176.519 0.295 0.000 1.241 48 W CA 0.792 58.270 57.345 0.222 0.000 1.264 48 W CB -1.519 28.100 29.460 0.266 0.000 1.154 48 W HN 0.414 nan 8.180 nan 0.000 0.483 49 W N 0.999 122.570 121.300 0.450 0.000 2.378 49 W HA -0.221 4.440 4.660 0.000 0.000 0.313 49 W C 1.965 178.626 176.519 0.238 0.000 1.197 49 W CA 1.544 59.089 57.345 0.333 0.000 1.304 49 W CB -0.474 29.172 29.460 0.309 0.000 1.148 49 W HN -0.086 nan 8.180 nan 0.000 0.494 50 Q N 0.682 120.558 119.800 0.126 0.000 2.112 50 Q HA -0.198 4.142 4.340 0.000 0.000 0.206 50 Q C 2.405 178.352 176.000 -0.089 0.000 0.987 50 Q CA 2.174 57.948 55.803 -0.048 0.000 0.858 50 Q CB -1.184 27.608 28.738 0.091 0.000 0.905 50 Q HN 0.431 nan 8.270 nan 0.000 0.420 51 A N 0.144 122.975 122.820 0.019 0.000 1.930 51 A HA -0.138 4.182 4.320 0.000 0.000 0.217 51 A C 2.342 179.898 177.584 -0.047 0.000 1.175 51 A CA 1.893 53.939 52.037 0.015 0.000 0.627 51 A CB -0.660 18.394 19.000 0.090 0.000 0.815 51 A HN 0.375 nan 8.150 nan 0.000 0.443 52 T N -0.453 114.061 114.554 -0.067 0.000 2.698 52 T HA -0.119 4.231 4.350 0.000 0.000 0.260 52 T C 1.678 176.259 174.700 -0.198 0.000 1.044 52 T CA 1.562 63.605 62.100 -0.096 0.000 1.149 52 T CB -0.471 68.413 68.868 0.026 0.000 0.864 52 T HN 0.676 nan 8.240 nan 0.000 0.419 53 D N 0.588 120.716 120.400 -0.455 0.000 2.160 53 D HA -0.225 4.415 4.640 0.000 0.000 0.189 53 D C 2.269 178.523 176.300 -0.078 0.000 1.003 53 D CA 1.585 55.423 54.000 -0.269 0.000 0.846 53 D CB -0.070 40.327 40.800 -0.672 0.000 0.949 53 D HN 0.135 nan 8.370 nan 0.000 0.446 54 R N -0.174 120.253 120.500 -0.121 0.000 2.091 54 R HA -0.101 4.239 4.340 0.000 0.000 0.238 54 R C 2.067 178.320 176.300 -0.079 0.000 1.136 54 R CA 1.746 57.807 56.100 -0.064 0.000 0.959 54 R CB -0.564 29.708 30.300 -0.046 0.000 0.856 54 R HN 0.267 nan 8.270 nan 0.000 0.437 55 A N -0.240 122.513 122.820 -0.112 0.000 1.897 55 A HA -0.097 4.223 4.320 0.000 0.000 0.215 55 A C 2.048 179.502 177.584 -0.215 0.000 1.181 55 A CA 1.332 53.289 52.037 -0.134 0.000 0.620 55 A CB -0.331 18.596 19.000 -0.123 0.000 0.821 55 A HN 0.266 nan 8.150 nan 0.000 0.443 56 M N -0.048 119.341 119.600 -0.351 0.000 2.159 56 M HA -0.108 4.372 4.480 0.000 0.000 0.263 56 M C 1.845 177.899 176.300 -0.410 0.000 1.063 56 M CA 1.596 56.513 55.300 -0.639 0.000 1.110 56 M CB -1.022 30.623 32.600 -1.592 0.000 1.374 56 M HN 0.430 nan 8.290 nan 0.000 0.411 57 K N -0.272 120.002 120.400 -0.209 0.000 2.007 57 K HA 0.045 4.365 4.320 0.000 0.000 0.206 57 K C 2.102 178.664 176.600 -0.064 0.000 1.047 57 K CA 1.216 57.461 56.287 -0.070 0.000 0.937 57 K CB -0.389 32.127 32.500 0.027 0.000 0.718 57 K HN 0.246 nan 8.250 nan 0.000 0.438 58 A N 1.725 124.505 122.820 -0.066 0.000 1.940 58 A HA -0.248 4.072 4.320 0.000 0.000 0.221 58 A C 2.160 179.705 177.584 -0.065 0.000 1.190 58 A CA 1.771 53.775 52.037 -0.055 0.000 0.647 58 A CB -0.761 18.206 19.000 -0.054 0.000 0.821 58 A HN 0.275 nan 8.150 nan 0.000 0.457 59 L N -0.247 120.911 121.223 -0.108 0.000 2.005 59 L HA 0.011 4.351 4.340 0.000 0.000 0.207 59 L C 2.517 179.343 176.870 -0.073 0.000 1.072 59 L CA 2.419 57.194 54.840 -0.108 0.000 0.744 59 L CB -1.157 40.795 42.059 -0.177 0.000 0.895 59 L HN 0.320 nan 8.230 nan 0.000 0.433 60 G N -1.183 107.564 108.800 -0.088 0.000 2.469 60 G HA2 -0.300 3.660 3.960 0.000 0.000 0.219 60 G HA3 -0.300 3.660 3.960 0.000 0.000 0.219 60 G C 1.170 176.067 174.900 -0.006 0.000 1.150 60 G CA 1.079 46.157 45.100 -0.037 0.000 0.763 60 G HN 0.452 nan 8.290 nan 0.000 0.561 61 D N -0.851 119.541 120.400 -0.013 0.000 2.340 61 D HA 0.056 4.696 4.640 0.000 0.000 0.220 61 D C 2.164 178.462 176.300 -0.002 0.000 1.039 61 D CA 0.286 54.283 54.000 -0.006 0.000 0.866 61 D CB 0.394 41.190 40.800 -0.007 0.000 0.913 61 D HN 0.559 nan 8.370 nan 0.000 0.523 62 Q N -0.566 119.238 119.800 0.007 0.000 2.349 62 Q HA 0.002 4.343 4.340 0.000 0.000 0.209 62 Q C 0.120 176.166 176.000 0.077 0.000 0.920 62 Q CA 0.394 56.212 55.803 0.024 0.000 0.901 62 Q CB 0.680 29.425 28.738 0.012 0.000 1.021 62 Q HN 0.332 nan 8.270 nan 0.000 0.519 63 H N -1.366 117.678 119.070 -0.042 0.000 3.014 63 H HA 0.335 4.891 4.556 0.000 0.000 0.337 63 H C -1.691 173.612 175.328 -0.042 0.000 1.320 63 H CA -0.494 55.531 56.048 -0.039 0.000 1.128 63 H CB 1.881 31.617 29.762 -0.043 0.000 1.862 63 H HN 0.056 nan 8.280 nan 0.000 0.536 64 S N 2.477 118.175 115.700 -0.004 0.000 2.565 64 S HA 0.344 4.814 4.470 0.000 0.000 0.276 64 S C -0.309 174.414 174.600 0.205 0.000 1.326 64 S CA -0.539 57.693 58.200 0.054 0.000 1.045 64 S CB 0.042 63.181 63.200 -0.100 0.000 0.918 64 S HN 0.447 nan 8.310 nan 0.000 0.505 65 L N 3.024 124.295 121.223 0.081 0.000 2.558 65 L HA 0.417 4.757 4.340 0.000 0.000 0.260 65 L C 1.198 178.086 176.870 0.030 0.000 1.130 65 L CA -0.361 54.506 54.840 0.045 0.000 1.049 65 L CB 0.124 42.196 42.059 0.023 0.000 1.758 65 L HN 1.033 nan 8.230 nan 0.000 0.555 66 Q N -1.581 118.231 119.800 0.020 0.000 2.284 66 Q HA -0.293 4.047 4.340 0.000 0.000 0.205 66 Q C 0.232 176.230 176.000 -0.003 0.000 0.682 66 Q CA 1.734 57.546 55.803 0.015 0.000 1.401 66 Q CB -1.914 26.836 28.738 0.019 0.000 1.643 66 Q HN 0.646 nan 8.270 nan 0.000 0.717 67 D N 0.421 120.813 120.400 -0.014 0.000 2.310 67 D HA 0.048 4.688 4.640 0.000 0.000 0.212 67 D C 0.158 176.400 176.300 -0.097 0.000 0.965 67 D CA 1.064 55.037 54.000 -0.046 0.000 0.879 67 D CB 0.220 40.999 40.800 -0.035 0.000 0.921 67 D HN 0.342 nan 8.370 nan 0.000 0.510 68 V N 2.232 122.096 119.914 -0.083 0.000 2.485 68 V HA -0.052 4.068 4.120 0.000 0.000 0.287 68 V C 1.524 177.567 176.094 -0.084 0.000 1.022 68 V CA 0.359 62.590 62.300 -0.116 0.000 1.067 68 V CB 1.026 32.818 31.823 -0.051 0.000 0.967 68 V HN 0.182 nan 8.190 nan 0.000 0.479 69 K N 4.296 124.615 120.400 -0.134 0.000 2.242 69 K HA 0.467 4.787 4.320 0.000 0.000 0.200 69 K C 0.531 177.186 176.600 0.091 0.000 1.050 69 K CA 0.803 57.081 56.287 -0.014 0.000 0.981 69 K CB 0.585 33.083 32.500 -0.003 0.000 0.795 69 K HN 0.623 nan 8.250 nan 0.000 0.477 70 A N 1.395 124.327 122.820 0.187 0.000 2.587 70 A HA 0.688 5.008 4.320 0.000 0.000 0.293 70 A C -1.884 175.794 177.584 0.158 0.000 1.087 70 A CA -0.806 51.340 52.037 0.182 0.000 0.692 70 A CB 1.635 20.744 19.000 0.183 0.000 1.291 70 A HN 0.210 nan 8.150 nan 0.000 0.407 71 L N 1.104 122.381 121.223 0.090 0.000 2.410 71 L HA 0.831 5.171 4.340 0.000 0.000 0.270 71 L C 0.007 176.893 176.870 0.027 0.000 0.983 71 L CA -0.209 54.669 54.840 0.063 0.000 0.822 71 L CB 1.955 44.064 42.059 0.084 0.000 1.285 71 L HN 0.991 nan 8.230 nan 0.000 0.409 72 G N 4.815 113.617 108.800 0.003 0.000 2.498 72 G HA2 0.721 4.681 3.960 0.000 0.000 0.312 72 G HA3 0.721 4.681 3.960 0.000 0.000 0.312 72 G C -1.205 173.681 174.900 -0.023 0.000 1.230 72 G CA -0.718 44.369 45.100 -0.022 0.000 0.968 72 G HN 0.603 nan 8.290 nan 0.000 0.481 73 I N 0.032 120.585 120.570 -0.029 0.000 2.569 73 I HA 0.753 4.923 4.170 0.000 0.000 0.296 73 I C 0.205 176.290 176.117 -0.053 0.000 1.028 73 I CA -1.036 60.246 61.300 -0.029 0.000 1.082 73 I CB 2.197 40.193 38.000 -0.007 0.000 1.264 73 I HN 0.646 nan 8.210 nan 0.000 0.429 74 A N 3.184 125.964 122.820 -0.067 0.000 2.485 74 A HA 1.046 5.366 4.320 0.000 0.000 0.292 74 A C -0.463 177.056 177.584 -0.109 0.000 1.147 74 A CA -0.562 51.421 52.037 -0.090 0.000 0.750 74 A CB 1.973 20.912 19.000 -0.101 0.000 1.331 74 A HN 1.023 nan 8.150 nan 0.000 0.419 75 G N -0.709 108.008 108.800 -0.138 0.000 2.547 75 G HA2 0.555 4.515 3.960 0.000 0.000 0.291 75 G HA3 0.555 4.515 3.960 0.000 0.000 0.291 75 G C -1.087 173.693 174.900 -0.199 0.000 1.471 75 G CA -0.274 44.723 45.100 -0.171 0.000 0.798 75 G HN 1.309 nan 8.290 nan 0.000 0.504 76 Q N 0.233 119.914 119.800 -0.199 0.000 2.485 76 Q HA 0.123 4.463 4.340 0.000 0.000 0.348 76 Q C 0.240 176.113 176.000 -0.211 0.000 1.097 76 Q CA 0.597 56.275 55.803 -0.209 0.000 1.079 76 Q CB 0.338 29.047 28.738 -0.048 0.000 1.108 76 Q HN 0.478 nan 8.270 nan 0.000 0.400 77 M N 2.204 121.606 119.600 -0.331 0.000 2.197 77 M HA 0.121 4.601 4.480 0.000 0.000 0.305 77 M C 0.230 176.389 176.300 -0.235 0.000 1.162 77 M CA -0.377 54.630 55.300 -0.489 0.000 1.099 77 M CB 0.603 32.609 32.600 -0.991 0.000 1.430 77 M HN 0.860 nan 8.290 nan 0.000 0.481 78 H N -2.260 116.814 119.070 0.007 0.000 4.158 78 H HA -0.122 4.434 4.556 0.000 0.000 0.150 78 H C 0.540 175.950 175.328 0.137 0.000 0.823 78 H CA 0.906 56.999 56.048 0.075 0.000 1.252 78 H CB -2.155 27.726 29.762 0.198 0.000 0.889 78 H HN 0.927 nan 8.280 nan 0.000 0.437 79 G N 0.963 109.918 108.800 0.259 0.000 2.313 79 G HA2 0.418 4.378 3.960 0.000 0.000 0.250 79 G HA3 0.418 4.378 3.960 0.000 0.000 0.250 79 G C 0.412 175.459 174.900 0.246 0.000 1.281 79 G CA 0.355 45.614 45.100 0.265 0.000 0.917 79 G HN 0.628 nan 8.290 nan 0.000 0.501 80 A N 3.510 126.456 122.820 0.210 0.000 2.376 80 A HA 0.566 4.887 4.320 0.000 0.000 0.298 80 A C 0.734 178.444 177.584 0.210 0.000 1.271 80 A CA -0.276 51.888 52.037 0.211 0.000 0.926 80 A CB 0.101 19.206 19.000 0.175 0.000 1.141 80 A HN 0.614 nan 8.150 nan 0.000 0.539 81 T N 4.576 119.279 114.554 0.248 0.000 2.743 81 T HA 0.479 4.829 4.350 0.000 0.000 0.292 81 T C -0.119 174.679 174.700 0.163 0.000 0.972 81 T CA -0.236 61.984 62.100 0.199 0.000 0.967 81 T CB 0.423 69.467 68.868 0.293 0.000 0.926 81 T HN 0.439 nan 8.240 nan 0.000 0.459 82 L N 4.700 125.984 121.223 0.102 0.000 2.282 82 L HA 0.553 4.893 4.340 0.000 0.000 0.288 82 L C -0.356 176.550 176.870 0.059 0.000 1.033 82 L CA -0.766 54.120 54.840 0.077 0.000 0.807 82 L CB 0.971 43.072 42.059 0.071 0.000 1.209 82 L HN 0.438 nan 8.230 nan 0.000 0.423 83 L N 2.793 124.047 121.223 0.052 0.000 2.341 83 L HA 0.369 4.710 4.340 0.000 0.000 0.278 83 L C -0.156 176.716 176.870 0.004 0.000 1.005 83 L CA -0.966 53.910 54.840 0.059 0.000 0.818 83 L CB 2.149 44.285 42.059 0.129 0.000 1.259 83 L HN 0.596 nan 8.230 nan 0.000 0.418 84 D N 2.093 122.499 120.400 0.011 0.000 2.414 84 D HA 0.147 4.787 4.640 0.000 0.000 0.259 84 D C 0.968 177.262 176.300 -0.010 0.000 1.269 84 D CA -0.158 53.836 54.000 -0.011 0.000 1.028 84 D CB 0.946 41.744 40.800 -0.002 0.000 1.093 84 D HN 0.510 nan 8.370 nan 0.000 0.545 85 A N -0.861 121.946 122.820 -0.022 0.000 2.119 85 A HA -0.132 4.188 4.320 0.000 0.000 0.217 85 A C 1.659 179.248 177.584 0.008 0.000 1.153 85 A CA 0.847 52.871 52.037 -0.023 0.000 0.692 85 A CB -0.477 18.503 19.000 -0.032 0.000 0.799 85 A HN 0.448 nan 8.150 nan 0.000 0.458 86 Q N -0.778 119.032 119.800 0.017 0.000 2.360 86 Q HA 0.079 4.419 4.340 0.000 0.000 0.202 86 Q C -0.217 175.812 176.000 0.048 0.000 0.915 86 Q CA 0.458 56.276 55.803 0.026 0.000 0.943 86 Q CB -0.091 28.657 28.738 0.016 0.000 1.064 86 Q HN 0.799 nan 8.270 nan 0.000 0.511 87 Q N -0.206 119.638 119.800 0.072 0.000 2.506 87 Q HA -0.177 4.163 4.340 0.000 0.000 0.268 87 Q C -0.056 176.003 176.000 0.100 0.000 1.002 87 Q CA 0.490 56.364 55.803 0.118 0.000 1.052 87 Q CB -1.308 27.510 28.738 0.133 0.000 1.383 87 Q HN 0.291 nan 8.270 nan 0.000 0.537 88 R N 0.835 121.375 120.500 0.068 0.000 2.404 88 R HA 0.429 4.770 4.340 0.000 0.000 0.291 88 R C -0.117 176.216 176.300 0.055 0.000 1.025 88 R CA -0.385 55.749 56.100 0.057 0.000 0.991 88 R CB 1.049 31.368 30.300 0.033 0.000 1.053 88 R HN -0.001 nan 8.270 nan 0.000 0.479 89 V N 6.543 126.483 119.914 0.044 0.000 2.458 89 V HA -0.108 4.012 4.120 0.000 0.000 0.287 89 V C 1.483 177.579 176.094 0.002 0.000 1.009 89 V CA 0.098 62.400 62.300 0.003 0.000 1.091 89 V CB 0.781 32.563 31.823 -0.068 0.000 0.960 89 V HN 0.787 nan 8.190 nan 0.000 0.476 90 L N 5.421 126.651 121.223 0.012 0.000 2.072 90 L HA 0.108 4.448 4.340 0.000 0.000 0.205 90 L C 1.186 178.073 176.870 0.027 0.000 1.079 90 L CA 1.568 56.422 54.840 0.023 0.000 0.752 90 L CB -0.639 41.438 42.059 0.032 0.000 0.906 90 L HN 0.912 nan 8.230 nan 0.000 0.436 91 R N -1.822 118.685 120.500 0.012 0.000 2.728 91 R HA 0.414 4.754 4.340 0.000 0.000 0.274 91 R C -2.940 173.333 176.300 -0.045 0.000 1.030 91 R CA -1.446 54.661 56.100 0.013 0.000 0.876 91 R CB 0.547 30.886 30.300 0.065 0.000 1.259 91 R HN -0.270 nan 8.270 nan 0.000 0.468 92 P HA 0.090 nan 4.420 nan 0.000 0.267 92 P C -0.539 176.684 177.300 -0.128 0.000 1.200 92 P CA -0.115 62.907 63.100 -0.131 0.000 0.772 92 P CB 0.552 32.201 31.700 -0.085 0.000 0.855 93 A N 3.380 126.076 122.820 -0.208 0.000 2.511 93 A HA 0.208 4.528 4.320 0.000 0.000 0.242 93 A C 0.287 177.860 177.584 -0.018 0.000 1.069 93 A CA -0.155 51.840 52.037 -0.070 0.000 0.763 93 A CB -0.719 18.270 19.000 -0.018 0.000 1.001 93 A HN 0.500 nan 8.150 nan 0.000 0.498 94 I N 3.789 124.359 120.570 0.000 0.000 2.297 94 I HA 0.174 4.344 4.170 0.000 0.000 0.291 94 I C 0.040 176.159 176.117 0.004 0.000 1.033 94 I CA -0.003 61.250 61.300 -0.078 0.000 1.253 94 I CB 0.336 38.236 38.000 -0.166 0.000 1.396 94 I HN 0.517 nan 8.210 nan 0.000 0.476 95 L N 5.216 126.426 121.223 -0.022 0.000 2.479 95 L HA 0.199 4.539 4.340 0.000 0.000 0.249 95 L C 1.634 178.506 176.870 0.004 0.000 1.178 95 L CA -0.651 54.210 54.840 0.036 0.000 0.811 95 L CB 0.348 42.368 42.059 -0.063 0.000 1.187 95 L HN 0.783 nan 8.230 nan 0.000 0.480 96 W N 1.288 122.663 121.300 0.125 0.000 2.325 96 W HA -0.228 4.432 4.660 0.000 0.000 0.299 96 W C 1.016 177.579 176.519 0.074 0.000 1.215 96 W CA 1.502 58.943 57.345 0.160 0.000 1.244 96 W CB -1.002 28.611 29.460 0.255 0.000 1.140 96 W HN 0.834 nan 8.180 nan 0.000 0.523 97 N N 0.792 118.873 118.700 -1.031 0.000 2.322 97 N HA -0.032 4.708 4.740 0.000 0.000 0.216 97 N C -0.063 175.169 175.510 -0.463 0.000 1.144 97 N CA -0.286 52.221 53.050 -0.905 0.000 0.830 97 N CB -0.254 37.275 38.487 -1.598 0.000 1.034 97 N HN -0.039 nan 8.380 nan 0.000 0.484 98 D N 0.361 120.565 120.400 -0.326 0.000 2.304 98 D HA 0.112 4.752 4.640 0.000 0.000 0.250 98 D C 0.216 176.383 176.300 -0.222 0.000 1.107 98 D CA -0.146 53.698 54.000 -0.259 0.000 0.885 98 D CB 1.541 42.166 40.800 -0.292 0.000 1.192 98 D HN 0.417 nan 8.370 nan 0.000 0.436 99 G N 2.942 111.631 108.800 -0.185 0.000 3.863 99 G HA2 -0.022 3.938 3.960 0.000 0.000 0.290 99 G HA3 -0.022 3.938 3.960 0.000 0.000 0.290 99 G C 1.280 176.090 174.900 -0.150 0.000 1.018 99 G CA -0.405 44.608 45.100 -0.146 0.000 0.824 99 G HN 0.575 nan 8.290 nan 0.000 0.507 100 R N -0.646 119.675 120.500 -0.297 0.000 2.189 100 R HA -0.011 4.329 4.340 0.000 0.000 0.223 100 R C 1.477 177.614 176.300 -0.272 0.000 1.092 100 R CA 1.314 57.208 56.100 -0.343 0.000 0.989 100 R CB -0.727 29.027 30.300 -0.910 0.000 0.876 100 R HN 0.429 nan 8.270 nan 0.000 0.457 101 C N -1.218 117.938 119.300 -0.240 0.000 2.557 101 C HA 0.728 5.188 4.460 0.000 0.000 0.281 101 C C 1.924 176.921 174.990 0.012 0.000 1.490 101 C CA -0.780 58.194 59.018 -0.074 0.000 1.771 101 C CB 0.155 27.835 27.740 -0.100 0.000 2.887 101 C HN 0.469 nan 8.230 nan 0.000 0.527 102 A N 1.491 124.316 122.820 0.007 0.000 1.883 102 A HA -0.253 4.067 4.320 0.000 0.000 0.217 102 A C 2.327 179.939 177.584 0.048 0.000 1.186 102 A CA 2.308 54.353 52.037 0.013 0.000 0.624 102 A CB -0.745 18.260 19.000 0.009 0.000 0.822 102 A HN 0.764 nan 8.150 nan 0.000 0.444 103 Q N -0.162 119.689 119.800 0.085 0.000 2.135 103 Q HA -0.215 4.125 4.340 0.000 0.000 0.204 103 Q C 1.638 177.696 176.000 0.096 0.000 0.981 103 Q CA 2.283 58.142 55.803 0.092 0.000 0.856 103 Q CB -0.321 28.487 28.738 0.116 0.000 0.902 103 Q HN 0.674 nan 8.270 nan 0.000 0.425 104 E N -0.763 119.514 120.200 0.129 0.000 2.150 104 E HA -0.099 4.252 4.350 0.000 0.000 0.193 104 E C 1.973 178.623 176.600 0.084 0.000 0.985 104 E CA 1.152 57.626 56.400 0.124 0.000 0.814 104 E CB -0.300 29.514 29.700 0.189 0.000 0.752 104 E HN 0.412 nan 8.360 nan 0.000 0.466 105 C N 0.244 119.579 119.300 0.058 0.000 2.413 105 C HA -0.149 4.311 4.460 0.000 0.000 0.276 105 C C 2.629 177.645 174.990 0.044 0.000 1.248 105 C CA 1.448 60.488 59.018 0.037 0.000 1.742 105 C CB -1.043 26.697 27.740 0.001 0.000 2.017 105 C HN 0.525 nan 8.230 nan 0.000 0.481 106 T N 1.753 116.333 114.554 0.043 0.000 2.652 106 T HA -0.149 4.201 4.350 0.000 0.000 0.267 106 T C 1.703 176.430 174.700 0.045 0.000 1.039 106 T CA 1.432 63.556 62.100 0.040 0.000 1.153 106 T CB -0.381 68.510 68.868 0.037 0.000 0.863 106 T HN 0.470 nan 8.240 nan 0.000 0.428 107 L N 0.461 121.714 121.223 0.050 0.000 2.012 107 L HA -0.054 4.286 4.340 0.000 0.000 0.210 107 L C 2.594 179.497 176.870 0.055 0.000 1.073 107 L CA 1.111 55.979 54.840 0.047 0.000 0.748 107 L CB -0.752 41.333 42.059 0.044 0.000 0.891 107 L HN 0.223 nan 8.230 nan 0.000 0.431 108 L N -0.024 121.240 121.223 0.068 0.000 2.013 108 L HA -0.268 4.073 4.340 0.000 0.000 0.212 108 L C 2.668 179.585 176.870 0.079 0.000 1.073 108 L CA 1.635 56.525 54.840 0.083 0.000 0.753 108 L CB -0.196 41.920 42.059 0.096 0.000 0.890 108 L HN 0.317 nan 8.230 nan 0.000 0.432 109 E N -0.508 119.734 120.200 0.069 0.000 2.153 109 E HA -0.223 4.127 4.350 0.000 0.000 0.194 109 E C 2.098 178.731 176.600 0.055 0.000 0.988 109 E CA 1.008 57.446 56.400 0.064 0.000 0.811 109 E CB -0.130 29.604 29.700 0.056 0.000 0.746 109 E HN 0.650 nan 8.360 nan 0.000 0.466 110 A N 1.250 124.099 122.820 0.048 0.000 1.930 110 A HA -0.139 4.181 4.320 0.000 0.000 0.217 110 A C 2.051 179.660 177.584 0.043 0.000 1.175 110 A CA 1.024 53.085 52.037 0.040 0.000 0.627 110 A CB -0.235 18.786 19.000 0.034 0.000 0.815 110 A HN 0.048 nan 8.150 nan 0.000 0.443 111 R N -0.993 119.537 120.500 0.050 0.000 2.092 111 R HA 0.015 4.355 4.340 0.000 0.000 0.231 111 R C -0.318 176.017 176.300 0.058 0.000 1.119 111 R CA 1.148 57.279 56.100 0.052 0.000 0.970 111 R CB -0.005 30.331 30.300 0.060 0.000 0.864 111 R HN 0.303 nan 8.270 nan 0.000 0.440 112 V N 1.851 121.806 119.914 0.068 0.000 2.276 112 V HA 0.193 4.313 4.120 0.000 0.000 0.268 112 V C -2.093 174.040 176.094 0.066 0.000 1.032 112 V CA -1.234 61.110 62.300 0.073 0.000 0.810 112 V CB 1.538 33.418 31.823 0.095 0.000 1.060 112 V HN -0.011 nan 8.190 nan 0.000 0.446 113 P HA -0.089 nan 4.420 nan 0.000 0.222 113 P C 1.293 178.624 177.300 0.051 0.000 1.147 113 P CA 0.978 64.106 63.100 0.048 0.000 0.790 113 P CB 0.259 31.982 31.700 0.038 0.000 0.780 114 Q N -0.931 118.903 119.800 0.057 0.000 2.320 114 Q HA 0.069 4.409 4.340 0.000 0.000 0.201 114 Q C 1.846 177.891 176.000 0.076 0.000 0.910 114 Q CA 0.427 56.266 55.803 0.060 0.000 0.946 114 Q CB -0.439 28.334 28.738 0.058 0.000 1.062 114 Q HN 0.326 nan 8.270 nan 0.000 0.503 115 S N 0.331 116.081 115.700 0.084 0.000 2.383 115 S HA -0.200 4.270 4.470 0.000 0.000 0.229 115 S C 1.866 176.530 174.600 0.107 0.000 1.030 115 S CA 0.962 59.223 58.200 0.102 0.000 1.002 115 S CB 0.004 63.268 63.200 0.106 0.000 0.829 115 S HN 0.230 nan 8.310 nan 0.000 0.467 116 R N 0.327 120.882 120.500 0.092 0.000 2.115 116 R HA 0.158 4.498 4.340 0.000 0.000 0.230 116 R C 2.280 178.638 176.300 0.096 0.000 1.111 116 R CA 1.177 57.332 56.100 0.091 0.000 0.976 116 R CB -0.628 29.711 30.300 0.064 0.000 0.870 116 R HN 0.389 nan 8.270 nan 0.000 0.445 117 V N 0.346 120.312 119.914 0.087 0.000 2.346 117 V HA -0.161 3.959 4.120 0.000 0.000 0.244 117 V C 2.034 178.195 176.094 0.111 0.000 1.037 117 V CA 1.551 63.907 62.300 0.093 0.000 1.029 117 V CB -0.259 31.605 31.823 0.069 0.000 0.663 117 V HN 0.234 nan 8.190 nan 0.000 0.454 118 I N 0.989 121.617 120.570 0.097 0.000 2.163 118 I HA -0.246 3.924 4.170 0.000 0.000 0.243 118 I C 2.587 178.757 176.117 0.088 0.000 1.085 118 I CA 2.241 63.594 61.300 0.088 0.000 1.347 118 I CB -0.589 37.472 38.000 0.103 0.000 1.044 118 I HN 0.506 nan 8.210 nan 0.000 0.408 119 T N -2.367 112.261 114.554 0.124 0.000 3.054 119 T HA 0.208 4.559 4.350 0.000 0.000 0.259 119 T C 1.652 176.460 174.700 0.181 0.000 1.092 119 T CA 0.505 62.689 62.100 0.140 0.000 1.121 119 T CB 0.266 69.228 68.868 0.157 0.000 0.912 119 T HN 0.540 nan 8.240 nan 0.000 0.489 120 G N 1.269 110.202 108.800 0.222 0.000 2.155 120 G HA2 -0.248 3.712 3.960 0.000 0.000 0.257 120 G HA3 -0.248 3.712 3.960 0.000 0.000 0.257 120 G C -0.212 174.760 174.900 0.119 0.000 0.983 120 G CA 0.176 45.431 45.100 0.259 0.000 0.676 120 G HN 0.720 nan 8.290 nan 0.000 0.528 121 N N -0.716 118.074 118.700 0.151 0.000 2.225 121 N HA 0.551 5.291 4.740 0.000 0.000 0.298 121 N C -0.086 175.563 175.510 0.231 0.000 1.076 121 N CA -0.957 52.227 53.050 0.223 0.000 0.792 121 N CB 1.452 40.144 38.487 0.341 0.000 1.498 121 N HN 0.030 nan 8.380 nan 0.000 0.474 122 L N 2.100 123.450 121.223 0.211 0.000 2.667 122 L HA -0.003 4.337 4.340 0.000 0.000 0.278 122 L C 0.166 177.207 176.870 0.284 0.000 1.217 122 L CA 0.510 55.472 54.840 0.204 0.000 0.935 122 L CB -0.018 42.118 42.059 0.129 0.000 1.193 122 L HN 0.710 nan 8.230 nan 0.000 0.493 123 M N 6.086 125.779 119.600 0.155 0.000 2.246 123 M HA 0.169 4.649 4.480 0.000 0.000 0.350 123 M C -0.284 175.918 176.300 -0.164 0.000 1.406 123 M CA 0.930 56.275 55.300 0.076 0.000 1.089 123 M CB 0.319 32.965 32.600 0.076 0.000 1.782 123 M HN 0.384 nan 8.290 nan 0.000 0.457 124 M N 6.621 125.886 119.600 -0.558 0.000 2.662 124 M HA 0.417 4.897 4.480 0.000 0.000 0.310 124 M C -1.988 174.053 176.300 -0.432 0.000 1.204 124 M CA -2.223 52.708 55.300 -0.614 0.000 0.891 124 M CB 0.871 32.862 32.600 -1.014 0.000 1.732 124 M HN 0.328 nan 8.290 nan 0.000 0.467 125 P HA -0.048 nan 4.420 nan 0.000 0.220 125 P C 1.290 178.485 177.300 -0.174 0.000 1.148 125 P CA 1.349 64.341 63.100 -0.179 0.000 0.803 125 P CB 0.096 31.708 31.700 -0.148 0.000 0.782 126 G N -1.831 106.845 108.800 -0.208 0.000 2.650 126 G HA2 -0.045 3.916 3.960 0.000 0.000 0.214 126 G HA3 -0.045 3.916 3.960 0.000 0.000 0.214 126 G C 0.470 175.405 174.900 0.058 0.000 1.136 126 G CA -0.194 44.862 45.100 -0.072 0.000 0.789 126 G HN 0.231 nan 8.290 nan 0.000 0.536 127 F N 0.327 120.141 119.950 -0.226 0.000 2.403 127 F HA 0.165 4.692 4.527 0.000 0.000 0.320 127 F C 1.975 177.682 175.800 -0.155 0.000 1.176 127 F CA -0.747 57.105 58.000 -0.247 0.000 1.206 127 F CB 1.049 39.915 39.000 -0.223 0.000 1.235 127 F HN -0.097 nan 8.300 nan 0.000 0.565 128 T N 0.698 115.250 114.554 -0.005 0.000 2.770 128 T HA -0.101 4.249 4.350 0.000 0.000 0.258 128 T C 2.138 176.647 174.700 -0.319 0.000 1.039 128 T CA 0.987 62.989 62.100 -0.163 0.000 1.143 128 T CB -0.426 68.270 68.868 -0.285 0.000 0.866 128 T HN 0.685 nan 8.240 nan 0.000 0.428 129 A N 2.976 125.390 122.820 -0.677 0.000 1.881 129 A HA -0.155 4.165 4.320 0.000 0.000 0.219 129 A C 0.406 178.012 177.584 0.037 0.000 1.215 129 A CA 2.070 53.831 52.037 -0.459 0.000 0.648 129 A CB -1.809 16.900 19.000 -0.485 0.000 0.832 129 A HN 0.442 nan 8.150 nan 0.000 0.455 130 P HA -0.127 nan 4.420 nan 0.000 0.219 130 P C 0.943 178.322 177.300 0.132 0.000 1.150 130 P CA 1.454 64.609 63.100 0.092 0.000 0.814 130 P CB -0.197 31.531 31.700 0.047 0.000 0.787 131 K N -0.702 119.749 120.400 0.084 0.000 2.173 131 K HA -0.154 4.166 4.320 0.000 0.000 0.207 131 K C 2.047 178.798 176.600 0.252 0.000 1.046 131 K CA 1.159 57.504 56.287 0.097 0.000 0.929 131 K CB -0.590 31.930 32.500 0.033 0.000 0.720 131 K HN 0.115 nan 8.250 nan 0.000 0.453 132 L N 0.064 121.464 121.223 0.296 0.000 2.127 132 L HA -0.072 4.269 4.340 0.000 0.000 0.203 132 L C 1.987 179.032 176.870 0.293 0.000 1.080 132 L CA 0.907 55.990 54.840 0.405 0.000 0.768 132 L CB -0.290 42.116 42.059 0.579 0.000 0.924 132 L HN 0.040 nan 8.230 nan 0.000 0.444 133 L N -1.687 119.669 121.223 0.223 0.000 2.081 133 L HA -0.272 4.068 4.340 0.000 0.000 0.212 133 L C 2.201 179.137 176.870 0.111 0.000 1.080 133 L CA 1.849 56.747 54.840 0.097 0.000 0.754 133 L CB -0.643 41.487 42.059 0.119 0.000 0.893 133 L HN 0.428 nan 8.230 nan 0.000 0.433 134 W N -1.135 120.196 121.300 0.053 0.000 2.381 134 W HA -0.174 4.486 4.660 0.000 0.000 0.301 134 W C 2.318 178.928 176.519 0.151 0.000 1.205 134 W CA 1.665 59.078 57.345 0.114 0.000 1.285 134 W CB -0.102 29.351 29.460 -0.013 0.000 1.133 134 W HN -0.121 nan 8.180 nan 0.000 0.521 135 V N 1.204 121.326 119.914 0.347 0.000 2.358 135 V HA -0.349 3.771 4.120 0.000 0.000 0.246 135 V C 2.401 178.475 176.094 -0.033 0.000 1.047 135 V CA 2.441 64.875 62.300 0.224 0.000 1.035 135 V CB -1.206 30.854 31.823 0.395 0.000 0.658 135 V HN 0.412 nan 8.190 nan 0.000 0.452 136 Q N 0.812 120.442 119.800 -0.283 0.000 2.167 136 Q HA -0.185 4.155 4.340 0.000 0.000 0.202 136 Q C 2.058 177.802 176.000 -0.427 0.000 0.970 136 Q CA 1.818 57.185 55.803 -0.728 0.000 0.855 136 Q CB -0.413 27.282 28.738 -1.739 0.000 0.911 136 Q HN 0.532 nan 8.270 nan 0.000 0.438 137 R N -1.053 119.222 120.500 -0.374 0.000 2.161 137 R HA 0.059 4.400 4.340 0.000 0.000 0.213 137 R C 1.700 177.610 176.300 -0.650 0.000 1.055 137 R CA 1.392 57.213 56.100 -0.465 0.000 0.996 137 R CB 0.051 30.072 30.300 -0.465 0.000 0.901 137 R HN 0.532 nan 8.270 nan 0.000 0.456 138 H N -0.872 117.877 119.070 -0.535 0.000 2.800 138 H HA 0.210 4.766 4.556 0.000 0.000 0.257 138 H C 0.123 175.253 175.328 -0.329 0.000 0.967 138 H CA 0.240 55.948 56.048 -0.566 0.000 1.192 138 H CB 0.993 30.064 29.762 -1.151 0.000 1.441 138 H HN 0.144 nan 8.280 nan 0.000 0.461 139 E N 1.360 121.481 120.200 -0.131 0.000 3.582 139 E HA 0.151 4.501 4.350 0.000 0.000 0.217 139 E C -2.145 174.491 176.600 0.059 0.000 1.092 139 E CA -1.478 54.932 56.400 0.016 0.000 1.365 139 E CB 1.233 31.003 29.700 0.117 0.000 1.278 139 E HN 0.285 nan 8.360 nan 0.000 0.439 140 P HA -0.207 nan 4.420 nan 0.000 0.216 140 P C 0.884 178.250 177.300 0.111 0.000 1.150 140 P CA 1.246 64.381 63.100 0.059 0.000 0.837 140 P CB 0.276 31.969 31.700 -0.012 0.000 0.786 141 E N -0.393 119.848 120.200 0.069 0.000 2.187 141 E HA -0.183 4.167 4.350 0.000 0.000 0.199 141 E C 1.908 178.555 176.600 0.079 0.000 1.004 141 E CA 1.124 57.562 56.400 0.064 0.000 0.813 141 E CB -1.296 28.433 29.700 0.049 0.000 0.736 141 E HN 0.274 nan 8.360 nan 0.000 0.468 142 I N -0.349 120.286 120.570 0.108 0.000 2.400 142 I HA -0.075 4.095 4.170 0.000 0.000 0.248 142 I C 2.044 178.236 176.117 0.126 0.000 1.109 142 I CA 0.667 62.033 61.300 0.110 0.000 1.425 142 I CB -0.700 37.381 38.000 0.134 0.000 1.094 142 I HN 0.068 nan 8.210 nan 0.000 0.425 143 F N 3.014 122.980 119.950 0.026 0.000 2.171 143 F HA -0.240 4.287 4.527 0.000 0.000 0.300 143 F C 2.709 178.511 175.800 0.003 0.000 1.090 143 F CA 1.690 59.703 58.000 0.022 0.000 1.293 143 F CB -0.235 38.776 39.000 0.018 0.000 1.013 143 F HN 0.061 nan 8.300 nan 0.000 0.486 144 R N 0.180 120.719 120.500 0.065 0.000 2.235 144 R HA -0.066 4.274 4.340 0.000 0.000 0.213 144 R C 1.402 177.647 176.300 -0.091 0.000 1.059 144 R CA 1.500 57.590 56.100 -0.017 0.000 0.997 144 R CB -0.666 29.665 30.300 0.050 0.000 0.884 144 R HN 0.384 nan 8.270 nan 0.000 0.462 145 Q N 0.531 120.283 119.800 -0.079 0.000 2.280 145 Q HA 0.263 4.603 4.340 0.000 0.000 0.201 145 Q C -0.237 175.699 176.000 -0.106 0.000 0.890 145 Q CA -0.208 55.553 55.803 -0.069 0.000 0.947 145 Q CB 0.602 29.325 28.738 -0.025 0.000 1.081 145 Q HN 0.365 nan 8.270 nan 0.000 0.502 146 I N 1.591 122.049 120.570 -0.186 0.000 2.436 146 I HA -0.068 4.103 4.170 0.000 0.000 0.289 146 I C 0.837 176.832 176.117 -0.202 0.000 1.083 146 I CA 0.139 61.319 61.300 -0.200 0.000 1.372 146 I CB 0.746 38.562 38.000 -0.307 0.000 1.408 146 I HN 0.036 nan 8.210 nan 0.000 0.516 147 D N 5.122 125.428 120.400 -0.157 0.000 2.324 147 D HA 0.089 4.729 4.640 0.000 0.000 0.212 147 D C 0.068 176.224 176.300 -0.239 0.000 0.984 147 D CA 1.133 55.022 54.000 -0.185 0.000 0.885 147 D CB 0.532 41.241 40.800 -0.152 0.000 0.996 147 D HN 0.354 nan 8.370 nan 0.000 0.505 148 K N -0.977 119.307 120.400 -0.193 0.000 2.536 148 K HA 0.546 4.866 4.320 0.000 0.000 0.269 148 K C -1.716 174.841 176.600 -0.071 0.000 0.965 148 K CA -0.814 55.356 56.287 -0.194 0.000 0.860 148 K CB 3.199 35.530 32.500 -0.281 0.000 1.423 148 K HN -0.300 nan 8.250 nan 0.000 0.438 149 V N 3.341 123.226 119.914 -0.049 0.000 2.409 149 V HA 0.494 4.614 4.120 0.000 0.000 0.291 149 V C -0.796 175.409 176.094 0.184 0.000 1.020 149 V CA -0.806 61.550 62.300 0.093 0.000 0.848 149 V CB 1.019 32.925 31.823 0.138 0.000 0.990 149 V HN 0.517 nan 8.190 nan 0.000 0.430 150 L N 5.057 126.430 121.223 0.250 0.000 2.334 150 L HA 0.602 4.942 4.340 0.000 0.000 0.276 150 L C -0.235 176.812 176.870 0.296 0.000 1.014 150 L CA -0.731 54.286 54.840 0.294 0.000 0.815 150 L CB 2.023 44.286 42.059 0.341 0.000 1.268 150 L HN 0.420 nan 8.230 nan 0.000 0.428 151 L N 2.866 124.242 121.223 0.255 0.000 2.473 151 L HA 0.107 4.447 4.340 0.000 0.000 0.268 151 L C -1.431 175.526 176.870 0.145 0.000 1.215 151 L CA -1.259 53.689 54.840 0.181 0.000 0.823 151 L CB 0.264 42.389 42.059 0.110 0.000 1.099 151 L HN 0.398 nan 8.230 nan 0.000 0.483 152 P HA -0.201 nan 4.420 nan 0.000 0.214 152 P C 1.253 178.447 177.300 -0.177 0.000 1.163 152 P CA 1.333 64.243 63.100 -0.316 0.000 0.883 152 P CB 0.050 31.316 31.700 -0.723 0.000 0.788 153 K N -0.352 119.962 120.400 -0.144 0.000 2.152 153 K HA -0.181 4.139 4.320 0.000 0.000 0.206 153 K C 1.138 177.761 176.600 0.038 0.000 1.048 153 K CA 1.942 58.194 56.287 -0.058 0.000 0.933 153 K CB -0.782 31.674 32.500 -0.073 0.000 0.721 153 K HN 0.069 nan 8.250 nan 0.000 0.447 154 D N -0.026 120.423 120.400 0.082 0.000 2.277 154 D HA -0.124 4.516 4.640 0.000 0.000 0.208 154 D C 1.690 178.087 176.300 0.163 0.000 0.962 154 D CA 0.646 54.716 54.000 0.116 0.000 0.865 154 D CB -0.258 40.634 40.800 0.154 0.000 0.939 154 D HN 0.316 nan 8.370 nan 0.000 0.510 155 Y N 1.628 122.017 120.300 0.149 0.000 2.128 155 Y HA -0.222 4.329 4.550 0.000 0.000 0.284 155 Y C 2.023 178.014 175.900 0.153 0.000 1.154 155 Y CA 1.121 59.343 58.100 0.203 0.000 1.149 155 Y CB -0.304 38.394 38.460 0.397 0.000 0.976 155 Y HN -0.163 nan 8.280 nan 0.000 0.505 156 L N 0.967 122.276 121.223 0.144 0.000 2.079 156 L HA -0.206 4.134 4.340 0.000 0.000 0.210 156 L C 2.697 179.567 176.870 0.000 0.000 1.081 156 L CA 1.829 56.743 54.840 0.123 0.000 0.752 156 L CB -1.198 41.005 42.059 0.239 0.000 0.896 156 L HN 0.284 nan 8.230 nan 0.000 0.433 157 R N -0.822 119.667 120.500 -0.017 0.000 2.073 157 R HA -0.198 4.142 4.340 0.000 0.000 0.234 157 R C 2.279 178.474 176.300 -0.176 0.000 1.134 157 R CA 1.555 57.620 56.100 -0.058 0.000 0.952 157 R CB -0.439 29.836 30.300 -0.043 0.000 0.850 157 R HN 0.250 nan 8.270 nan 0.000 0.433 158 L N 1.599 122.673 121.223 -0.249 0.000 1.971 158 L HA -0.225 4.115 4.340 0.000 0.000 0.215 158 L C 2.282 178.875 176.870 -0.462 0.000 1.072 158 L CA 1.886 56.489 54.840 -0.395 0.000 0.758 158 L CB -0.609 41.217 42.059 -0.387 0.000 0.889 158 L HN 0.119 nan 8.230 nan 0.000 0.433 159 R N -0.797 119.340 120.500 -0.605 0.000 2.127 159 R HA -0.140 4.200 4.340 0.000 0.000 0.238 159 R C 2.148 178.082 176.300 -0.610 0.000 1.134 159 R CA 1.784 57.404 56.100 -0.800 0.000 0.975 159 R CB -0.783 28.757 30.300 -1.267 0.000 0.865 159 R HN 0.509 nan 8.270 nan 0.000 0.447 160 M N -0.627 118.780 119.600 -0.322 0.000 2.334 160 M HA -0.056 4.424 4.480 0.000 0.000 0.266 160 M C 1.664 177.863 176.300 -0.169 0.000 1.082 160 M CA 1.850 57.062 55.300 -0.147 0.000 1.141 160 M CB 0.066 32.702 32.600 0.060 0.000 1.380 160 M HN 0.244 nan 8.290 nan 0.000 0.440 161 T N -5.630 108.806 114.554 -0.197 0.000 3.010 161 T HA 0.344 4.694 4.350 0.000 0.000 0.253 161 T C 1.358 175.935 174.700 -0.204 0.000 0.939 161 T CA 0.739 62.739 62.100 -0.166 0.000 0.910 161 T CB 0.730 69.518 68.868 -0.134 0.000 1.226 161 T HN 0.450 nan 8.240 nan 0.000 0.508 162 G N 1.740 110.370 108.800 -0.285 0.000 2.176 162 G HA2 -0.183 3.777 3.960 0.000 0.000 0.253 162 G HA3 -0.183 3.777 3.960 0.000 0.000 0.253 162 G C -0.228 174.424 174.900 -0.414 0.000 0.979 162 G CA 0.195 45.098 45.100 -0.329 0.000 0.641 162 G HN 0.675 nan 8.290 nan 0.000 0.530 163 E N -0.334 119.647 120.200 -0.366 0.000 2.248 163 E HA 0.587 4.937 4.350 0.000 0.000 0.272 163 E C -0.541 175.781 176.600 -0.463 0.000 1.008 163 E CA -0.707 55.498 56.400 -0.326 0.000 0.856 163 E CB 0.753 30.369 29.700 -0.141 0.000 1.120 163 E HN 0.194 nan 8.360 nan 0.000 0.397 164 F N 1.009 120.973 119.950 0.024 0.000 2.334 164 F HA 0.517 5.044 4.527 0.000 0.000 0.367 164 F C 0.382 176.249 175.800 0.112 0.000 1.115 164 F CA -0.566 57.468 58.000 0.057 0.000 1.116 164 F CB 1.116 40.150 39.000 0.056 0.000 1.230 164 F HN 0.351 nan 8.300 nan 0.000 0.484 165 A N 2.000 124.960 122.820 0.234 0.000 2.547 165 A HA 0.755 5.075 4.320 0.000 0.000 0.297 165 A C -1.031 176.672 177.584 0.199 0.000 1.056 165 A CA -0.592 51.584 52.037 0.232 0.000 0.688 165 A CB 1.942 20.981 19.000 0.065 0.000 1.282 165 A HN 0.503 nan 8.150 nan 0.000 0.400 166 S N -0.066 115.784 115.700 0.251 0.000 2.709 166 S HA 0.726 5.196 4.470 0.000 0.000 0.302 166 S C -1.354 173.328 174.600 0.136 0.000 1.127 166 S CA -0.338 57.966 58.200 0.174 0.000 0.905 166 S CB 1.282 64.610 63.200 0.213 0.000 1.151 166 S HN 0.953 nan 8.310 nan 0.000 0.510 167 D N 0.868 121.302 120.400 0.056 0.000 2.384 167 D HA 0.229 4.869 4.640 0.000 0.000 0.250 167 D C 1.061 177.334 176.300 -0.046 0.000 1.029 167 D CA -0.579 53.432 54.000 0.018 0.000 0.990 167 D CB 0.729 41.527 40.800 -0.003 0.000 1.175 167 D HN 0.382 nan 8.370 nan 0.000 0.532 168 M N 0.768 120.321 119.600 -0.079 0.000 2.175 168 M HA -0.132 4.348 4.480 0.000 0.000 0.264 168 M C 2.245 178.486 176.300 -0.097 0.000 1.063 168 M CA 1.273 56.494 55.300 -0.132 0.000 1.119 168 M CB -1.368 31.128 32.600 -0.173 0.000 1.377 168 M HN 0.639 nan 8.290 nan 0.000 0.415 169 S N -0.003 115.664 115.700 -0.054 0.000 2.368 169 S HA -0.160 4.310 4.470 0.000 0.000 0.224 169 S C 1.739 176.249 174.600 -0.149 0.000 1.029 169 S CA 1.472 59.655 58.200 -0.028 0.000 0.988 169 S CB -0.413 62.817 63.200 0.050 0.000 0.838 169 S HN 0.315 nan 8.310 nan 0.000 0.462 170 D N 2.168 122.486 120.400 -0.138 0.000 2.084 170 D HA 0.098 4.738 4.640 0.000 0.000 0.196 170 D C 2.307 178.525 176.300 -0.138 0.000 0.985 170 D CA 1.603 55.498 54.000 -0.175 0.000 0.826 170 D CB -0.725 40.017 40.800 -0.096 0.000 0.978 170 D HN 0.496 nan 8.370 nan 0.000 0.456 171 A N 0.773 123.557 122.820 -0.061 0.000 1.940 171 A HA -0.079 4.241 4.320 0.000 0.000 0.219 171 A C 2.303 179.879 177.584 -0.013 0.000 1.176 171 A CA 2.265 54.307 52.037 0.009 0.000 0.631 171 A CB -0.816 18.081 19.000 -0.170 0.000 0.814 171 A HN 0.256 nan 8.150 nan 0.000 0.446 172 A N -0.502 122.271 122.820 -0.080 0.000 1.986 172 A HA 0.009 4.329 4.320 0.000 0.000 0.220 172 A C 2.238 179.788 177.584 -0.058 0.000 1.171 172 A CA 1.916 53.958 52.037 0.007 0.000 0.640 172 A CB -1.226 17.842 19.000 0.113 0.000 0.811 172 A HN 0.854 nan 8.150 nan 0.000 0.451 173 G N -1.159 107.438 108.800 -0.339 0.000 2.848 173 G HA2 0.050 4.010 3.960 0.000 0.000 0.208 173 G HA3 0.050 4.010 3.960 0.000 0.000 0.208 173 G C 1.410 176.219 174.900 -0.152 0.000 1.152 173 G CA 1.468 46.322 45.100 -0.409 0.000 0.789 173 G HN 0.683 nan 8.290 nan 0.000 0.531 174 T N -2.713 111.797 114.554 -0.073 0.000 3.043 174 T HA 0.034 4.384 4.350 0.000 0.000 0.263 174 T C 1.668 176.140 174.700 -0.379 0.000 1.094 174 T CA 0.896 62.889 62.100 -0.179 0.000 1.127 174 T CB -0.064 68.847 68.868 0.071 0.000 0.905 174 T HN 0.169 nan 8.240 nan 0.000 0.490 175 M N -1.342 118.174 119.600 -0.140 0.000 2.943 175 M HA -0.113 4.368 4.480 0.000 0.000 0.198 175 M C -0.180 176.136 176.300 0.026 0.000 0.606 175 M CA 0.571 55.834 55.300 -0.062 0.000 0.744 175 M CB -2.647 29.913 32.600 -0.066 0.000 2.671 175 M HN 0.607 nan 8.290 nan 0.000 0.342 176 W N -0.420 121.039 121.300 0.264 0.000 3.103 176 W HA 0.517 5.177 4.660 0.000 0.000 0.325 176 W C 0.628 177.406 176.519 0.431 0.000 1.170 176 W CA -0.503 57.032 57.345 0.316 0.000 1.712 176 W CB 0.176 29.809 29.460 0.289 0.000 1.068 176 W HN 0.167 nan 8.180 nan 0.000 0.592 177 L N 2.191 123.706 121.223 0.487 0.000 2.290 177 L HA 0.166 4.506 4.340 0.000 0.000 0.284 177 L C 0.500 177.461 176.870 0.153 0.000 1.078 177 L CA 0.327 55.310 54.840 0.238 0.000 0.815 177 L CB 0.497 42.576 42.059 0.034 0.000 1.162 177 L HN -0.221 nan 8.230 nan 0.000 0.435 178 D N 3.945 124.410 120.400 0.109 0.000 2.357 178 D HA -0.020 4.620 4.640 0.000 0.000 0.265 178 D C 1.051 177.322 176.300 -0.049 0.000 1.334 178 D CA 0.150 54.168 54.000 0.030 0.000 0.984 178 D CB 1.016 41.837 40.800 0.035 0.000 1.077 178 D HN 0.423 nan 8.370 nan 0.000 0.514 179 V N 4.465 124.312 119.914 -0.112 0.000 2.427 179 V HA -0.224 3.896 4.120 0.000 0.000 0.248 179 V C 2.486 178.457 176.094 -0.204 0.000 1.051 179 V CA 1.913 64.132 62.300 -0.135 0.000 1.048 179 V CB -0.508 31.221 31.823 -0.158 0.000 0.666 179 V HN 0.667 nan 8.190 nan 0.000 0.456 180 A N -0.515 121.949 122.820 -0.593 0.000 1.933 180 A HA -0.186 4.134 4.320 0.000 0.000 0.218 180 A C 2.220 179.775 177.584 -0.047 0.000 1.175 180 A CA 1.578 53.310 52.037 -0.508 0.000 0.628 180 A CB -0.276 18.453 19.000 -0.451 0.000 0.814 180 A HN 0.497 nan 8.150 nan 0.000 0.444 181 K N -1.277 119.104 120.400 -0.031 0.000 2.367 181 K HA 0.109 4.429 4.320 0.000 0.000 0.194 181 K C -0.306 176.306 176.600 0.020 0.000 1.027 181 K CA 0.076 56.373 56.287 0.018 0.000 1.075 181 K CB 0.271 32.770 32.500 -0.001 0.000 0.845 181 K HN 0.464 nan 8.250 nan 0.000 0.529 182 R N 1.875 122.381 120.500 0.009 0.000 3.264 182 R HA -0.200 4.140 4.340 0.000 0.000 0.251 182 R C -0.718 175.486 176.300 -0.159 0.000 0.971 182 R CA 0.844 56.894 56.100 -0.084 0.000 0.658 182 R CB -1.693 28.551 30.300 -0.094 0.000 1.095 182 R HN 0.326 nan 8.270 nan 0.000 0.443 183 D N -1.483 118.815 120.400 -0.170 0.000 2.653 183 D HA 0.278 4.918 4.640 0.000 0.000 0.258 183 D C -0.703 175.517 176.300 -0.135 0.000 1.252 183 D CA -0.619 53.251 54.000 -0.216 0.000 0.777 183 D CB 0.575 41.327 40.800 -0.079 0.000 1.339 183 D HN 0.127 nan 8.370 nan 0.000 0.422 184 W N 1.067 122.395 121.300 0.047 0.000 2.148 184 W HA 0.278 4.938 4.660 0.000 0.000 0.347 184 W C 0.859 177.419 176.519 0.068 0.000 1.288 184 W CA -0.394 56.995 57.345 0.073 0.000 1.252 184 W CB 0.580 30.067 29.460 0.046 0.000 1.156 184 W HN 0.191 nan 8.180 nan 0.000 0.580 185 S N 2.050 117.985 115.700 0.391 0.000 2.420 185 S HA 0.079 4.550 4.470 0.000 0.000 0.313 185 S C 0.810 175.530 174.600 0.199 0.000 1.079 185 S CA -0.760 57.589 58.200 0.248 0.000 1.104 185 S CB 0.319 63.656 63.200 0.228 0.000 0.969 185 S HN 0.434 nan 8.310 nan 0.000 0.471 186 D N 4.067 124.547 120.400 0.133 0.000 2.149 186 D HA -0.117 4.523 4.640 0.000 0.000 0.198 186 D C 2.045 178.389 176.300 0.073 0.000 0.990 186 D CA 0.984 55.028 54.000 0.072 0.000 0.839 186 D CB -0.057 40.774 40.800 0.052 0.000 0.948 186 D HN 0.455 nan 8.370 nan 0.000 0.460 187 V N 1.421 121.392 119.914 0.095 0.000 2.287 187 V HA -0.260 3.860 4.120 0.000 0.000 0.248 187 V C 2.497 178.669 176.094 0.131 0.000 1.053 187 V CA 1.321 63.679 62.300 0.097 0.000 1.027 187 V CB -0.302 31.578 31.823 0.095 0.000 0.646 187 V HN 0.206 nan 8.190 nan 0.000 0.447 188 M N -1.133 118.580 119.600 0.188 0.000 2.200 188 M HA -0.050 4.430 4.480 0.000 0.000 0.265 188 M C 2.164 178.653 176.300 0.316 0.000 1.066 188 M CA 1.658 57.126 55.300 0.280 0.000 1.127 188 M CB -1.075 31.750 32.600 0.375 0.000 1.379 188 M HN 0.278 nan 8.290 nan 0.000 0.420 189 L N -0.381 120.942 121.223 0.167 0.000 2.027 189 L HA -0.232 4.108 4.340 0.000 0.000 0.206 189 L C 2.578 179.434 176.870 -0.023 0.000 1.074 189 L CA 1.248 56.041 54.840 -0.078 0.000 0.745 189 L CB -0.570 41.334 42.059 -0.259 0.000 0.898 189 L HN 0.302 nan 8.230 nan 0.000 0.433 190 Q N -0.349 119.459 119.800 0.013 0.000 2.061 190 Q HA -0.230 4.110 4.340 0.000 0.000 0.204 190 Q C 2.326 178.365 176.000 0.066 0.000 0.984 190 Q CA 1.983 57.802 55.803 0.026 0.000 0.846 190 Q CB -0.327 28.428 28.738 0.028 0.000 0.902 190 Q HN 0.558 nan 8.270 nan 0.000 0.421 191 A N -0.488 122.392 122.820 0.099 0.000 2.070 191 A HA -0.163 4.157 4.320 0.000 0.000 0.220 191 A C 1.844 179.508 177.584 0.133 0.000 1.159 191 A CA 1.168 53.271 52.037 0.110 0.000 0.656 191 A CB -0.428 18.647 19.000 0.125 0.000 0.800 191 A HN 0.527 nan 8.150 nan 0.000 0.453 192 C N 0.337 119.748 119.300 0.185 0.000 2.673 192 C HA 0.193 4.653 4.460 0.000 0.000 0.274 192 C C 0.035 175.155 174.990 0.217 0.000 1.276 192 C CA -0.377 58.780 59.018 0.233 0.000 1.701 192 C CB -1.376 26.618 27.740 0.422 0.000 1.836 192 C HN 0.688 nan 8.230 nan 0.000 0.596 193 D N 1.040 121.525 120.400 0.141 0.000 2.699 193 D HA -0.147 4.493 4.640 0.000 0.000 0.239 193 D C -0.341 176.030 176.300 0.119 0.000 1.136 193 D CA 0.771 54.858 54.000 0.144 0.000 0.668 193 D CB -1.028 39.896 40.800 0.207 0.000 1.060 193 D HN 0.486 nan 8.370 nan 0.000 0.429 194 L N -0.393 120.817 121.223 -0.023 0.000 2.303 194 L HA 0.580 4.920 4.340 0.000 0.000 0.256 194 L C 0.527 177.259 176.870 -0.231 0.000 1.034 194 L CA -0.709 54.021 54.840 -0.184 0.000 0.832 194 L CB 2.071 43.918 42.059 -0.353 0.000 1.403 194 L HN 0.117 nan 8.230 nan 0.000 0.419 195 S N -0.908 114.620 115.700 -0.287 0.000 2.667 195 S HA 0.495 4.966 4.470 0.000 0.000 0.292 195 S C 0.492 174.872 174.600 -0.367 0.000 1.126 195 S CA -0.897 57.143 58.200 -0.266 0.000 0.881 195 S CB 2.104 65.198 63.200 -0.176 0.000 1.132 195 S HN 0.635 nan 8.310 nan 0.000 0.492 196 R N 0.430 120.741 120.500 -0.316 0.000 2.139 196 R HA -0.103 4.237 4.340 0.000 0.000 0.243 196 R C 1.040 177.160 176.300 -0.301 0.000 1.145 196 R CA 1.665 57.545 56.100 -0.366 0.000 0.976 196 R CB -0.694 29.501 30.300 -0.175 0.000 0.866 196 R HN 0.652 nan 8.270 nan 0.000 0.449 197 D N 1.075 121.340 120.400 -0.225 0.000 2.220 197 D HA -0.190 4.450 4.640 0.000 0.000 0.198 197 D C 1.313 177.454 176.300 -0.264 0.000 1.001 197 D CA 1.429 55.308 54.000 -0.201 0.000 0.875 197 D CB 0.030 40.726 40.800 -0.173 0.000 0.921 197 D HN 0.374 nan 8.370 nan 0.000 0.454 198 Q N -1.370 118.228 119.800 -0.338 0.000 2.282 198 Q HA 0.144 4.484 4.340 0.000 0.000 0.206 198 Q C -0.020 175.730 176.000 -0.416 0.000 0.878 198 Q CA -0.104 55.479 55.803 -0.367 0.000 0.944 198 Q CB 0.651 29.168 28.738 -0.368 0.000 1.100 198 Q HN 0.175 nan 8.270 nan 0.000 0.509 199 M N 1.863 121.172 119.600 -0.486 0.000 2.409 199 M HA 0.370 4.850 4.480 0.000 0.000 0.329 199 M C -2.231 173.994 176.300 -0.124 0.000 1.180 199 M CA -2.655 52.355 55.300 -0.484 0.000 1.053 199 M CB 0.221 32.114 32.600 -1.178 0.000 1.586 199 M HN -0.128 nan 8.290 nan 0.000 0.461 200 P HA 0.225 nan 4.420 nan 0.000 0.272 200 P C -0.926 176.629 177.300 0.425 0.000 1.240 200 P CA -0.381 62.898 63.100 0.297 0.000 0.791 200 P CB 0.304 32.221 31.700 0.362 0.000 0.978 201 A N 1.734 124.777 122.820 0.371 0.000 2.371 201 A HA 0.415 4.735 4.320 0.000 0.000 0.257 201 A C 0.121 177.883 177.584 0.298 0.000 1.089 201 A CA -0.493 51.737 52.037 0.323 0.000 0.794 201 A CB -0.418 18.754 19.000 0.286 0.000 1.029 201 A HN 0.517 nan 8.150 nan 0.000 0.488 202 L N 1.902 123.155 121.223 0.051 0.000 2.282 202 L HA 0.493 4.833 4.340 0.000 0.000 0.288 202 L C -1.127 175.605 176.870 -0.231 0.000 1.033 202 L CA -0.288 54.508 54.840 -0.073 0.000 0.807 202 L CB 0.774 42.653 42.059 -0.300 0.000 1.209 202 L HN 0.718 nan 8.230 nan 0.000 0.423 203 Y N 0.855 121.119 120.300 -0.059 0.000 2.570 203 Y HA 0.369 4.919 4.550 0.000 0.000 0.345 203 Y C 0.232 176.081 175.900 -0.085 0.000 1.014 203 Y CA -1.174 56.892 58.100 -0.057 0.000 1.063 203 Y CB 1.388 39.830 38.460 -0.031 0.000 1.272 203 Y HN 0.425 nan 8.280 nan 0.000 0.477 204 E N 0.334 120.570 120.200 0.060 0.000 2.404 204 E HA 0.074 4.424 4.350 0.000 0.000 0.261 204 E C 0.973 177.583 176.600 0.016 0.000 1.074 204 E CA 0.466 56.863 56.400 -0.004 0.000 0.917 204 E CB 0.971 30.646 29.700 -0.043 0.000 0.965 204 E HN 0.997 nan 8.360 nan 0.000 0.433 205 G N 1.504 110.288 108.800 -0.028 0.000 2.450 205 G HA2 -0.270 3.690 3.960 0.000 0.000 0.220 205 G HA3 -0.270 3.690 3.960 0.000 0.000 0.220 205 G C 1.289 176.160 174.900 -0.048 0.000 1.130 205 G CA 1.078 46.156 45.100 -0.036 0.000 0.760 205 G HN 0.476 nan 8.290 nan 0.000 0.557 206 S N -0.233 115.436 115.700 -0.052 0.000 2.603 206 S HA 0.201 4.671 4.470 0.000 0.000 0.220 206 S C 0.551 175.130 174.600 -0.035 0.000 0.967 206 S CA -0.136 58.029 58.200 -0.059 0.000 0.920 206 S CB 0.265 63.422 63.200 -0.071 0.000 0.773 206 S HN 0.546 nan 8.310 nan 0.000 0.529 207 E N 0.877 121.077 120.200 -0.001 0.000 2.283 207 E HA 0.447 4.797 4.350 0.000 0.000 0.271 207 E C -0.652 175.929 176.600 -0.033 0.000 1.031 207 E CA -0.642 55.781 56.400 0.038 0.000 0.868 207 E CB 1.113 30.914 29.700 0.167 0.000 1.094 207 E HN 0.299 nan 8.360 nan 0.000 0.401 208 I N 1.904 122.455 120.570 -0.033 0.000 2.441 208 I HA -0.025 4.145 4.170 0.000 0.000 0.287 208 I C 1.403 177.361 176.117 -0.264 0.000 1.049 208 I CA 0.237 61.477 61.300 -0.101 0.000 1.381 208 I CB 0.903 38.881 38.000 -0.037 0.000 1.409 208 I HN 0.691 nan 8.210 nan 0.000 0.523 209 T N 0.967 115.311 114.554 -0.349 0.000 2.990 209 T HA 0.501 4.851 4.350 0.000 0.000 0.250 209 T C 0.652 175.206 174.700 -0.243 0.000 1.041 209 T CA 0.168 61.950 62.100 -0.529 0.000 1.010 209 T CB 0.656 69.203 68.868 -0.535 0.000 1.003 209 T HN 0.862 nan 8.240 nan 0.000 0.499 210 G N 0.445 109.158 108.800 -0.144 0.000 2.368 210 G HA2 0.546 4.507 3.960 0.000 0.000 0.269 210 G HA3 0.546 4.507 3.960 0.000 0.000 0.269 210 G C -1.900 172.966 174.900 -0.056 0.000 1.291 210 G CA -0.330 44.719 45.100 -0.085 0.000 0.903 210 G HN 0.811 nan 8.290 nan 0.000 0.483 211 A N -0.954 121.839 122.820 -0.045 0.000 2.556 211 A HA 0.806 5.126 4.320 0.000 0.000 0.294 211 A C -0.093 177.475 177.584 -0.026 0.000 1.091 211 A CA -0.672 51.352 52.037 -0.021 0.000 0.704 211 A CB 1.069 20.062 19.000 -0.011 0.000 1.300 211 A HN 1.287 nan 8.150 nan 0.000 0.406 212 L N 1.482 122.708 121.223 0.004 0.000 2.628 212 L HA -0.057 4.283 4.340 0.000 0.000 0.292 212 L C 0.010 176.850 176.870 -0.050 0.000 1.250 212 L CA 0.348 55.181 54.840 -0.010 0.000 0.892 212 L CB -0.160 41.925 42.059 0.044 0.000 1.138 212 L HN 0.577 nan 8.230 nan 0.000 0.502 213 L N 5.367 126.534 121.223 -0.094 0.000 2.461 213 L HA 0.034 4.375 4.340 0.000 0.000 0.272 213 L C -1.195 175.624 176.870 -0.086 0.000 1.197 213 L CA -1.315 53.465 54.840 -0.100 0.000 0.836 213 L CB 0.202 42.179 42.059 -0.137 0.000 1.105 213 L HN 0.476 nan 8.230 nan 0.000 0.477 214 P HA -0.207 nan 4.420 nan 0.000 0.214 214 P C 1.040 178.305 177.300 -0.059 0.000 1.163 214 P CA 1.376 64.448 63.100 -0.047 0.000 0.889 214 P CB 0.088 31.765 31.700 -0.038 0.000 0.790 215 E N -0.372 119.784 120.200 -0.073 0.000 2.065 215 E HA -0.176 4.174 4.350 0.000 0.000 0.201 215 E C 1.943 178.470 176.600 -0.122 0.000 1.016 215 E CA 1.538 57.889 56.400 -0.080 0.000 0.818 215 E CB -1.357 28.291 29.700 -0.085 0.000 0.749 215 E HN 0.067 nan 8.360 nan 0.000 0.453 216 V N 1.460 121.262 119.914 -0.188 0.000 2.379 216 V HA -0.209 3.911 4.120 0.000 0.000 0.245 216 V C 2.461 178.360 176.094 -0.325 0.000 1.044 216 V CA 1.675 63.755 62.300 -0.367 0.000 1.036 216 V CB -0.808 30.751 31.823 -0.439 0.000 0.664 216 V HN 0.418 nan 8.190 nan 0.000 0.453 217 A N -0.488 122.256 122.820 -0.128 0.000 1.940 217 A HA -0.239 4.081 4.320 0.000 0.000 0.219 217 A C 2.369 179.981 177.584 0.047 0.000 1.176 217 A CA 1.982 54.029 52.037 0.018 0.000 0.631 217 A CB -0.431 18.583 19.000 0.024 0.000 0.814 217 A HN 0.413 nan 8.150 nan 0.000 0.446 218 K N -0.315 120.084 120.400 -0.001 0.000 2.001 218 K HA -0.050 4.270 4.320 0.000 0.000 0.208 218 K C 2.276 178.901 176.600 0.041 0.000 1.048 218 K CA 1.208 57.507 56.287 0.019 0.000 0.932 218 K CB -0.495 32.005 32.500 -0.001 0.000 0.715 218 K HN 0.349 nan 8.250 nan 0.000 0.437 219 A N 0.404 123.220 122.820 -0.006 0.000 2.009 219 A HA -0.203 4.117 4.320 0.000 0.000 0.222 219 A C 1.653 179.354 177.584 0.194 0.000 1.175 219 A CA 1.713 53.764 52.037 0.023 0.000 0.651 219 A CB -0.723 18.218 19.000 -0.098 0.000 0.815 219 A HN 0.515 nan 8.150 nan 0.000 0.459 220 W N -1.950 119.361 121.300 0.019 0.000 3.114 220 W HA 0.387 5.047 4.660 0.000 0.000 0.279 220 W C 1.417 177.938 176.519 0.003 0.000 1.277 220 W CA 0.377 57.726 57.345 0.006 0.000 1.630 220 W CB -0.592 28.874 29.460 0.010 0.000 1.087 220 W HN 0.716 nan 8.180 nan 0.000 0.637 221 G N 2.111 111.039 108.800 0.214 0.000 2.255 221 G HA2 -0.169 3.791 3.960 0.000 0.000 0.239 221 G HA3 -0.169 3.791 3.960 0.000 0.000 0.239 221 G C -0.136 174.827 174.900 0.105 0.000 1.083 221 G CA 0.281 45.453 45.100 0.121 0.000 0.826 221 G HN 0.226 nan 8.290 nan 0.000 0.493 222 M N -2.566 117.106 119.600 0.120 0.000 3.012 222 M HA 0.802 5.282 4.480 0.000 0.000 0.272 222 M C -0.088 176.263 176.300 0.086 0.000 1.187 222 M CA -0.568 54.790 55.300 0.097 0.000 0.813 222 M CB 0.700 33.368 32.600 0.114 0.000 1.626 222 M HN 1.363 nan 8.290 nan 0.000 0.507 223 A N 0.453 123.311 122.820 0.064 0.000 2.259 223 A HA 0.602 4.922 4.320 0.000 0.000 0.278 223 A C 0.686 178.302 177.584 0.054 0.000 1.107 223 A CA 0.133 52.197 52.037 0.046 0.000 0.828 223 A CB -0.025 18.993 19.000 0.030 0.000 1.111 223 A HN 0.961 nan 8.150 nan 0.000 0.498 224 T N -0.393 114.180 114.554 0.032 0.000 4.210 224 T HA 0.276 4.626 4.350 0.000 0.000 0.229 224 T C 0.242 174.961 174.700 0.032 0.000 0.813 224 T CA -0.318 61.798 62.100 0.026 0.000 0.888 224 T CB -1.499 67.372 68.868 0.005 0.000 1.327 224 T HN 0.409 nan 8.240 nan 0.000 0.739 225 V N 3.183 123.128 119.914 0.052 0.000 2.928 225 V HA 0.111 4.231 4.120 0.000 0.000 0.307 225 V C -1.752 174.370 176.094 0.046 0.000 1.105 225 V CA -1.248 61.083 62.300 0.053 0.000 1.223 225 V CB 0.407 32.272 31.823 0.070 0.000 0.930 225 V HN 0.530 nan 8.190 nan 0.000 0.499 226 P HA 0.188 nan 4.420 nan 0.000 0.271 226 P C -1.005 176.306 177.300 0.018 0.000 1.216 226 P CA -0.022 63.089 63.100 0.018 0.000 0.776 226 P CB 0.515 32.225 31.700 0.017 0.000 0.881 227 V N 4.248 124.156 119.914 -0.010 0.000 2.370 227 V HA 0.281 4.401 4.120 0.000 0.000 0.283 227 V C 0.702 176.754 176.094 -0.070 0.000 1.023 227 V CA -0.702 61.585 62.300 -0.021 0.000 0.857 227 V CB 1.486 33.300 31.823 -0.017 0.000 0.985 227 V HN 0.428 nan 8.190 nan 0.000 0.443 228 V N 2.988 122.865 119.914 -0.063 0.000 3.170 228 V HA 0.780 4.900 4.120 0.000 0.000 0.309 228 V C 1.333 177.363 176.094 -0.106 0.000 1.071 228 V CA 0.473 62.719 62.300 -0.091 0.000 1.063 228 V CB 1.315 33.096 31.823 -0.071 0.000 1.123 228 V HN 0.865 nan 8.190 nan 0.000 0.464 229 A N 1.361 124.112 122.820 -0.116 0.000 1.969 229 A HA 0.437 4.758 4.320 0.000 0.000 0.218 229 A C 1.841 179.391 177.584 -0.056 0.000 1.169 229 A CA 1.705 53.683 52.037 -0.097 0.000 0.635 229 A CB -1.281 17.692 19.000 -0.044 0.000 0.810 229 A HN 2.791 nan 8.150 nan 0.000 0.445 230 G N -2.130 106.636 108.800 -0.056 0.000 2.525 230 G HA2 0.354 4.314 3.960 0.000 0.000 0.248 230 G HA3 0.354 4.314 3.960 0.000 0.000 0.248 230 G C 0.386 175.256 174.900 -0.050 0.000 1.238 230 G CA -0.200 44.867 45.100 -0.055 0.000 0.926 230 G HN 2.005 nan 8.290 nan 0.000 0.574 231 G N -1.691 107.074 108.800 -0.059 0.000 2.646 231 G HA2 0.794 4.754 3.960 0.000 0.000 0.291 231 G HA3 0.794 4.754 3.960 0.000 0.000 0.291 231 G C 0.276 175.118 174.900 -0.097 0.000 1.445 231 G CA 0.625 45.688 45.100 -0.062 0.000 0.814 231 G HN 2.028 nan 8.290 nan 0.000 0.495 232 G N -0.405 108.322 108.800 -0.122 0.000 2.568 232 G HA2 0.307 4.267 3.960 0.000 0.000 0.231 232 G HA3 0.307 4.267 3.960 0.000 0.000 0.231 232 G C 0.908 175.704 174.900 -0.173 0.000 1.261 232 G CA 0.840 45.832 45.100 -0.180 0.000 0.855 232 G HN 0.772 nan 8.290 nan 0.000 0.576 233 D N 0.815 121.096 120.400 -0.200 0.000 2.097 233 D HA -0.200 4.440 4.640 0.000 0.000 0.195 233 D C 1.803 177.979 176.300 -0.207 0.000 0.989 233 D CA 1.446 55.333 54.000 -0.188 0.000 0.827 233 D CB -0.309 40.377 40.800 -0.190 0.000 0.966 233 D HN 0.394 nan 8.370 nan 0.000 0.456 234 N N 1.067 119.643 118.700 -0.206 0.000 2.061 234 N HA -0.171 4.569 4.740 0.000 0.000 0.193 234 N C 1.933 177.134 175.510 -0.514 0.000 1.030 234 N CA 1.893 54.785 53.050 -0.262 0.000 0.856 234 N CB -0.396 38.059 38.487 -0.054 0.000 1.023 234 N HN 0.388 nan 8.380 nan 0.000 0.424 235 A N 1.274 123.893 122.820 -0.336 0.000 1.873 235 A HA 0.107 4.427 4.320 0.000 0.000 0.215 235 A C 2.462 179.925 177.584 -0.201 0.000 1.186 235 A CA 1.744 53.574 52.037 -0.346 0.000 0.616 235 A CB -0.808 18.153 19.000 -0.066 0.000 0.823 235 A HN 0.326 nan 8.150 nan 0.000 0.442 236 A N -0.289 122.438 122.820 -0.155 0.000 1.908 236 A HA 0.077 4.397 4.320 0.000 0.000 0.218 236 A C 2.442 179.926 177.584 -0.167 0.000 1.181 236 A CA 2.077 54.038 52.037 -0.126 0.000 0.627 236 A CB -1.537 17.392 19.000 -0.117 0.000 0.818 236 A HN 0.784 nan 8.150 nan 0.000 0.445 237 G N -0.301 108.363 108.800 -0.227 0.000 2.553 237 G HA2 -0.130 3.830 3.960 0.000 0.000 0.218 237 G HA3 -0.130 3.830 3.960 0.000 0.000 0.218 237 G C 1.805 176.540 174.900 -0.274 0.000 1.195 237 G CA 1.939 46.895 45.100 -0.241 0.000 0.779 237 G HN 0.930 nan 8.290 nan 0.000 0.577 238 A N -0.248 122.300 122.820 -0.454 0.000 1.933 238 A HA 0.070 4.390 4.320 0.000 0.000 0.218 238 A C 2.638 180.139 177.584 -0.138 0.000 1.175 238 A CA 1.938 53.721 52.037 -0.423 0.000 0.628 238 A CB -0.658 17.804 19.000 -0.897 0.000 0.814 238 A HN 0.308 nan 8.150 nan 0.000 0.444 239 V N -0.040 119.826 119.914 -0.079 0.000 2.287 239 V HA -0.220 3.900 4.120 0.000 0.000 0.248 239 V C 2.860 178.898 176.094 -0.093 0.000 1.053 239 V CA 2.056 64.311 62.300 -0.075 0.000 1.027 239 V CB -1.513 30.258 31.823 -0.087 0.000 0.646 239 V HN 0.624 nan 8.190 nan 0.000 0.447 240 G N -0.210 108.527 108.800 -0.106 0.000 2.513 240 G HA2 -0.262 3.698 3.960 0.000 0.000 0.219 240 G HA3 -0.262 3.698 3.960 0.000 0.000 0.219 240 G C 1.620 176.468 174.900 -0.086 0.000 1.160 240 G CA 1.528 46.570 45.100 -0.098 0.000 0.767 240 G HN 0.426 nan 8.290 nan 0.000 0.571 241 V N 0.425 120.284 119.914 -0.091 0.000 2.591 241 V HA 0.299 4.419 4.120 0.000 0.000 0.249 241 V C 2.284 178.348 176.094 -0.050 0.000 1.053 241 V CA 1.688 63.945 62.300 -0.072 0.000 1.068 241 V CB -0.384 31.395 31.823 -0.074 0.000 0.689 241 V HN 1.001 nan 8.190 nan 0.000 0.462 242 G N -0.903 107.870 108.800 -0.045 0.000 2.192 242 G HA2 -0.172 3.788 3.960 0.000 0.000 0.193 242 G HA3 -0.172 3.788 3.960 0.000 0.000 0.193 242 G C 0.050 174.953 174.900 0.006 0.000 0.999 242 G CA -0.186 44.898 45.100 -0.028 0.000 0.659 242 G HN 0.230 nan 8.290 nan 0.000 0.503 243 M N 1.520 121.137 119.600 0.029 0.000 2.497 243 M HA 0.529 5.009 4.480 0.000 0.000 0.336 243 M C 1.024 177.451 176.300 0.212 0.000 1.378 243 M CA -0.039 55.324 55.300 0.104 0.000 1.375 243 M CB 0.371 33.041 32.600 0.115 0.000 1.337 243 M HN 0.038 nan 8.290 nan 0.000 0.461 244 V N 0.095 120.094 119.914 0.142 0.000 3.359 244 V HA 0.154 4.274 4.120 0.000 0.000 0.270 244 V C 0.131 176.272 176.094 0.078 0.000 1.583 244 V CA 0.435 62.779 62.300 0.074 0.000 1.019 244 V CB 0.962 32.744 31.823 -0.068 0.000 0.831 244 V HN 0.580 nan 8.190 nan 0.000 0.426 245 D N 0.343 120.798 120.400 0.092 0.000 2.450 245 D HA 0.605 5.245 4.640 0.000 0.000 0.238 245 D C 0.080 176.437 176.300 0.096 0.000 1.020 245 D CA 0.085 54.134 54.000 0.082 0.000 1.010 245 D CB 2.193 43.020 40.800 0.044 0.000 1.342 245 D HN 0.160 nan 8.370 nan 0.000 0.530 246 A N 1.257 124.128 122.820 0.084 0.000 2.584 246 A HA 0.007 4.327 4.320 0.000 0.000 0.239 246 A C 0.960 178.571 177.584 0.044 0.000 1.043 246 A CA 0.338 52.417 52.037 0.071 0.000 0.756 246 A CB -0.338 18.696 19.000 0.057 0.000 0.963 246 A HN 0.714 nan 8.150 nan 0.000 0.511 247 N N -0.264 118.455 118.700 0.031 0.000 2.900 247 N HA -0.167 4.573 4.740 0.000 0.000 0.240 247 N C -0.161 175.363 175.510 0.024 0.000 0.953 247 N CA 1.654 54.709 53.050 0.008 0.000 0.950 247 N CB -1.147 37.333 38.487 -0.012 0.000 1.102 247 N HN 0.923 nan 8.380 nan 0.000 0.593 248 Q N 0.590 120.421 119.800 0.052 0.000 2.352 248 Q HA 0.592 4.932 4.340 0.000 0.000 0.260 248 Q C 0.205 176.255 176.000 0.085 0.000 0.976 248 Q CA 0.565 56.412 55.803 0.073 0.000 0.881 248 Q CB 1.268 30.061 28.738 0.093 0.000 1.235 248 Q HN 0.392 nan 8.270 nan 0.000 0.419 249 A N 2.609 125.490 122.820 0.101 0.000 2.606 249 A HA 0.740 5.061 4.320 0.000 0.000 0.293 249 A C -1.142 176.538 177.584 0.160 0.000 1.082 249 A CA -0.870 51.221 52.037 0.090 0.000 0.685 249 A CB 1.628 20.649 19.000 0.034 0.000 1.284 249 A HN 0.750 nan 8.150 nan 0.000 0.408 250 M N 0.915 120.623 119.600 0.180 0.000 2.433 250 M HA 0.823 5.304 4.480 0.000 0.000 0.290 250 M C -2.019 174.469 176.300 0.312 0.000 1.173 250 M CA -0.768 54.653 55.300 0.203 0.000 0.905 250 M CB 1.879 34.536 32.600 0.095 0.000 1.692 250 M HN 0.701 nan 8.290 nan 0.000 0.462 251 L N 2.376 123.770 121.223 0.285 0.000 2.325 251 L HA 0.644 4.984 4.340 0.000 0.000 0.281 251 L C -1.055 175.899 176.870 0.140 0.000 1.004 251 L CA 0.231 55.226 54.840 0.258 0.000 0.823 251 L CB 2.175 44.307 42.059 0.122 0.000 1.236 251 L HN 0.852 nan 8.230 nan 0.000 0.415 252 S N 6.250 122.030 115.700 0.134 0.000 2.422 252 S HA 0.433 4.903 4.470 0.000 0.000 0.298 252 S C 0.754 175.413 174.600 0.098 0.000 1.118 252 S CA -0.437 57.822 58.200 0.099 0.000 1.083 252 S CB 0.609 63.858 63.200 0.082 0.000 0.971 252 S HN 0.664 nan 8.310 nan 0.000 0.478 253 L N 2.804 124.090 121.223 0.105 0.000 2.653 253 L HA 0.272 4.612 4.340 0.000 0.000 0.231 253 L C 1.526 178.480 176.870 0.140 0.000 1.153 253 L CA -0.335 54.586 54.840 0.135 0.000 0.933 253 L CB -0.471 41.685 42.059 0.162 0.000 1.175 253 L HN 0.734 nan 8.230 nan 0.000 0.473 254 G N -0.588 108.278 108.800 0.110 0.000 2.546 254 G HA2 0.013 3.973 3.960 0.000 0.000 0.239 254 G HA3 0.013 3.973 3.960 0.000 0.000 0.239 254 G C 0.796 175.753 174.900 0.096 0.000 1.476 254 G CA -0.009 45.148 45.100 0.096 0.000 1.064 254 G HN -0.048 nan 8.290 nan 0.000 0.561 255 T N -0.332 114.273 114.554 0.084 0.000 3.085 255 T HA 0.149 4.499 4.350 0.000 0.000 0.263 255 T C 0.937 175.694 174.700 0.095 0.000 1.127 255 T CA 1.088 63.241 62.100 0.088 0.000 1.103 255 T CB -0.127 68.789 68.868 0.080 0.000 0.921 255 T HN 0.191 nan 8.240 nan 0.000 0.510 256 S N 1.113 116.866 115.700 0.088 0.000 2.279 256 S HA 0.490 4.960 4.470 0.000 0.000 0.176 256 S C 0.250 174.902 174.600 0.086 0.000 1.554 256 S CA -0.801 57.451 58.200 0.087 0.000 1.242 256 S CB 0.446 63.683 63.200 0.061 0.000 1.163 256 S HN 0.432 nan 8.310 nan 0.000 0.449 257 G N 1.845 110.706 108.800 0.103 0.000 2.365 257 G HA2 0.486 4.446 3.960 0.000 0.000 0.249 257 G HA3 0.486 4.446 3.960 0.000 0.000 0.249 257 G C -0.475 174.496 174.900 0.118 0.000 1.288 257 G CA -0.043 45.121 45.100 0.108 0.000 0.887 257 G HN 0.602 nan 8.290 nan 0.000 0.524 258 V N 2.174 122.169 119.914 0.135 0.000 2.891 258 V HA 0.352 4.472 4.120 0.000 0.000 0.304 258 V C -1.421 174.827 176.094 0.258 0.000 1.171 258 V CA -1.238 61.168 62.300 0.177 0.000 0.943 258 V CB 1.634 33.547 31.823 0.150 0.000 1.037 258 V HN 0.685 nan 8.190 nan 0.000 0.427 259 Y N 4.116 124.481 120.300 0.109 0.000 2.331 259 Y HA 0.756 5.306 4.550 0.000 0.000 0.338 259 Y C -1.195 174.815 175.900 0.184 0.000 0.992 259 Y CA -2.062 56.107 58.100 0.114 0.000 1.121 259 Y CB 1.699 40.187 38.460 0.047 0.000 1.184 259 Y HN 0.671 nan 8.280 nan 0.000 0.469 260 F N 5.030 124.853 119.950 -0.211 0.000 2.493 260 F HA 0.797 5.324 4.527 0.000 0.000 0.329 260 F C -1.184 174.376 175.800 -0.401 0.000 1.126 260 F CA -0.616 57.247 58.000 -0.228 0.000 0.937 260 F CB 1.117 40.020 39.000 -0.161 0.000 1.146 260 F HN 0.607 nan 8.300 nan 0.000 0.442 261 A N 5.789 128.236 122.820 -0.622 0.000 2.375 261 A HA 0.633 4.954 4.320 0.000 0.000 0.295 261 A C -1.487 175.900 177.584 -0.329 0.000 1.066 261 A CA -0.705 51.090 52.037 -0.403 0.000 0.722 261 A CB 0.944 19.704 19.000 -0.401 0.000 1.206 261 A HN 0.552 nan 8.150 nan 0.000 0.435 262 V N 2.886 122.731 119.914 -0.114 0.000 2.585 262 V HA 0.332 4.452 4.120 0.000 0.000 0.296 262 V C 0.992 177.105 176.094 0.030 0.000 1.035 262 V CA 0.513 62.831 62.300 0.031 0.000 1.084 262 V CB 0.719 32.654 31.823 0.187 0.000 0.953 262 V HN 1.018 nan 8.190 nan 0.000 0.483 263 S N 2.827 118.568 115.700 0.069 0.000 2.608 263 S HA 0.450 4.920 4.470 0.000 0.000 0.291 263 S C -0.239 174.411 174.600 0.082 0.000 1.146 263 S CA -0.874 57.348 58.200 0.037 0.000 1.043 263 S CB 1.417 64.615 63.200 -0.004 0.000 1.037 263 S HN 0.808 nan 8.310 nan 0.000 0.520 264 E N 1.489 121.707 120.200 0.030 0.000 1.985 264 E HA 0.427 4.777 4.350 0.000 0.000 0.268 264 E C 1.070 177.676 176.600 0.010 0.000 1.219 264 E CA 0.490 56.911 56.400 0.035 0.000 0.942 264 E CB -0.911 28.791 29.700 0.003 0.000 1.045 264 E HN 1.064 nan 8.360 nan 0.000 0.413 265 G N 3.890 112.741 108.800 0.085 0.000 2.668 265 G HA2 -0.354 3.607 3.960 0.000 0.000 0.266 265 G HA3 -0.354 3.607 3.960 0.000 0.000 0.266 265 G C -0.397 174.379 174.900 -0.206 0.000 1.328 265 G CA -0.036 45.040 45.100 -0.040 0.000 0.911 265 G HN 0.650 nan 8.290 nan 0.000 0.567 266 F N 0.946 120.381 119.950 -0.859 0.000 2.427 266 F HA 0.681 5.208 4.527 0.000 0.000 0.352 266 F C 0.429 175.980 175.800 -0.415 0.000 1.100 266 F CA -0.784 56.692 58.000 -0.875 0.000 1.191 266 F CB 0.272 38.444 39.000 -1.378 0.000 1.128 266 F HN 0.496 nan 8.300 nan 0.000 0.533 267 L N 4.739 125.372 121.223 -0.983 0.000 2.350 267 L HA 0.763 5.103 4.340 0.000 0.000 0.260 267 L C -0.787 175.512 176.870 -0.952 0.000 1.015 267 L CA -1.036 53.277 54.840 -0.878 0.000 0.821 267 L CB 2.202 44.006 42.059 -0.425 0.000 1.370 267 L HN 0.645 nan 8.230 nan 0.000 0.416 268 S N 0.013 115.324 115.700 -0.647 0.000 2.543 268 S HA 0.490 4.960 4.470 0.000 0.000 0.271 268 S C -1.150 173.301 174.600 -0.248 0.000 1.148 268 S CA -0.902 57.048 58.200 -0.417 0.000 0.914 268 S CB 2.152 65.146 63.200 -0.343 0.000 1.096 268 S HN 0.671 nan 8.310 nan 0.000 0.471 269 K N 2.468 122.752 120.400 -0.194 0.000 2.624 269 K HA 0.396 4.716 4.320 0.000 0.000 0.200 269 K C -2.497 174.029 176.600 -0.123 0.000 1.036 269 K CA -1.998 54.206 56.287 -0.139 0.000 1.029 269 K CB 1.037 33.462 32.500 -0.125 0.000 1.317 269 K HN 0.320 nan 8.250 nan 0.000 0.555 270 P HA 0.004 nan 4.420 nan 0.000 0.236 270 P C -0.597 176.675 177.300 -0.048 0.000 1.177 270 P CA 0.711 63.779 63.100 -0.053 0.000 0.773 270 P CB 0.348 32.044 31.700 -0.007 0.000 0.878 271 E N -0.259 119.909 120.200 -0.053 0.000 2.354 271 E HA 0.195 4.545 4.350 0.000 0.000 0.252 271 E C 0.242 176.805 176.600 -0.063 0.000 1.330 271 E CA -0.221 56.153 56.400 -0.043 0.000 1.658 271 E CB -0.308 29.375 29.700 -0.028 0.000 1.460 271 E HN 0.169 nan 8.360 nan 0.000 0.435 272 S N -1.588 114.049 115.700 -0.105 0.000 2.819 272 S HA 0.699 5.169 4.470 0.000 0.000 0.299 272 S C 0.541 175.031 174.600 -0.183 0.000 1.192 272 S CA -0.560 57.571 58.200 -0.115 0.000 0.847 272 S CB 0.989 64.121 63.200 -0.112 0.000 1.224 272 S HN 0.046 nan 8.310 nan 0.000 0.537 273 A N 0.081 122.814 122.820 -0.144 0.000 2.278 273 A HA 0.524 4.844 4.320 0.000 0.000 0.212 273 A C 0.297 177.740 177.584 -0.234 0.000 1.213 273 A CA -0.071 51.872 52.037 -0.157 0.000 0.840 273 A CB -0.645 18.353 19.000 -0.004 0.000 0.866 273 A HN 0.728 nan 8.150 nan 0.000 0.489 274 V N 1.947 121.698 119.914 -0.271 0.000 2.353 274 V HA 0.168 4.288 4.120 0.000 0.000 0.264 274 V C -0.215 175.669 176.094 -0.349 0.000 1.049 274 V CA -0.287 61.885 62.300 -0.214 0.000 0.896 274 V CB -0.418 31.317 31.823 -0.146 0.000 1.025 274 V HN 0.569 nan 8.190 nan 0.000 0.475 275 H N 2.067 121.069 119.070 -0.113 0.000 2.482 275 H HA 0.612 5.168 4.556 0.000 0.000 0.344 275 H C 0.213 175.207 175.328 -0.556 0.000 1.151 275 H CA 0.014 55.884 56.048 -0.297 0.000 1.300 275 H CB 1.542 31.178 29.762 -0.210 0.000 1.494 275 H HN 0.619 nan 8.280 nan 0.000 0.542 276 S N 2.593 117.898 115.700 -0.659 0.000 2.594 276 S HA 0.596 5.066 4.470 0.000 0.000 0.296 276 S C -1.572 172.614 174.600 -0.689 0.000 1.124 276 S CA -0.584 57.272 58.200 -0.574 0.000 1.011 276 S CB 0.192 63.242 63.200 -0.251 0.000 1.016 276 S HN 0.490 nan 8.310 nan 0.000 0.485 277 F N 1.431 121.255 119.950 -0.209 0.000 2.613 277 F HA 0.483 5.010 4.527 0.000 0.000 0.314 277 F C 0.284 176.093 175.800 0.016 0.000 1.075 277 F CA -1.249 56.683 58.000 -0.113 0.000 0.945 277 F CB 1.301 40.202 39.000 -0.164 0.000 1.310 277 F HN 0.465 nan 8.300 nan 0.000 0.467 278 C N 1.843 121.288 119.300 0.243 0.000 2.634 278 C HA 0.053 4.513 4.460 0.000 0.000 0.417 278 C C 0.854 175.947 174.990 0.171 0.000 1.334 278 C CA -0.006 58.974 59.018 -0.064 0.000 1.829 278 C CB -1.066 26.548 27.740 -0.211 0.000 2.665 278 C HN 0.587 nan 8.230 nan 0.000 0.614 279 H N 1.007 120.100 119.070 0.037 0.000 2.597 279 H HA 0.360 4.916 4.556 0.000 0.000 0.370 279 H C 0.484 175.800 175.328 -0.020 0.000 1.281 279 H CA 0.080 56.207 56.048 0.131 0.000 1.422 279 H CB 0.954 30.783 29.762 0.113 0.000 1.524 279 H HN 0.698 nan 8.280 nan 0.000 0.607 280 A N 3.889 126.953 122.820 0.407 0.000 2.734 280 A HA 0.364 4.684 4.320 0.000 0.000 0.279 280 A C -0.260 177.276 177.584 -0.080 0.000 1.386 280 A CA -0.115 51.972 52.037 0.084 0.000 0.987 280 A CB -0.834 18.209 19.000 0.073 0.000 1.041 280 A HN 0.406 nan 8.150 nan 0.000 0.569 281 L N -1.303 119.830 121.223 -0.150 0.000 2.469 281 L HA 0.433 4.774 4.340 0.000 0.000 0.256 281 L C -2.808 173.958 176.870 -0.173 0.000 1.006 281 L CA -2.547 52.183 54.840 -0.184 0.000 0.832 281 L CB 2.413 44.313 42.059 -0.266 0.000 1.421 281 L HN -0.099 nan 8.230 nan 0.000 0.410 282 P HA 0.060 nan 4.420 nan 0.000 0.265 282 P C -0.691 176.520 177.300 -0.148 0.000 1.193 282 P CA 0.315 63.332 63.100 -0.139 0.000 0.765 282 P CB 0.376 32.024 31.700 -0.086 0.000 0.823 283 Q N -1.209 118.467 119.800 -0.207 0.000 2.452 283 Q HA -0.227 4.113 4.340 0.000 0.000 0.248 283 Q C -0.195 175.765 176.000 -0.067 0.000 0.874 283 Q CA 0.864 56.599 55.803 -0.114 0.000 1.208 283 Q CB -0.999 27.760 28.738 0.036 0.000 1.569 283 Q HN 0.505 nan 8.270 nan 0.000 0.579 284 R N 0.052 120.407 120.500 -0.243 0.000 2.589 284 R HA 0.540 4.880 4.340 0.000 0.000 0.293 284 R C -0.344 175.878 176.300 -0.131 0.000 0.963 284 R CA -0.188 55.917 56.100 0.008 0.000 0.905 284 R CB 1.071 31.422 30.300 0.084 0.000 1.144 284 R HN 0.122 nan 8.270 nan 0.000 0.459 285 W N 1.963 123.379 121.300 0.194 0.000 2.902 285 W HA 0.360 5.020 4.660 0.000 0.000 0.346 285 W C 0.421 177.023 176.519 0.139 0.000 1.139 285 W CA -0.451 57.004 57.345 0.184 0.000 1.139 285 W CB 1.673 31.236 29.460 0.173 0.000 1.439 285 W HN 0.611 nan 8.180 nan 0.000 0.558 286 H N -0.385 118.774 119.070 0.149 0.000 2.980 286 H HA 0.561 5.117 4.556 0.000 0.000 0.367 286 H C -1.801 173.401 175.328 -0.210 0.000 1.206 286 H CA -0.888 55.039 56.048 -0.201 0.000 1.126 286 H CB 1.524 30.837 29.762 -0.749 0.000 1.838 286 H HN 0.169 nan 8.280 nan 0.000 0.552 287 L N 2.137 123.173 121.223 -0.312 0.000 2.375 287 L HA 0.516 4.856 4.340 0.000 0.000 0.268 287 L C 0.469 177.236 176.870 -0.172 0.000 1.058 287 L CA -0.588 54.075 54.840 -0.296 0.000 0.803 287 L CB 1.240 43.174 42.059 -0.208 0.000 1.212 287 L HN 0.890 nan 8.230 nan 0.000 0.451 288 M N 0.152 119.716 119.600 -0.059 0.000 2.520 288 M HA 0.714 5.194 4.480 0.000 0.000 0.280 288 M C -1.082 175.308 176.300 0.150 0.000 1.232 288 M CA -0.501 54.856 55.300 0.096 0.000 0.892 288 M CB 2.315 35.097 32.600 0.303 0.000 1.728 288 M HN 0.366 nan 8.290 nan 0.000 0.475 289 S N 1.588 117.400 115.700 0.187 0.000 2.575 289 S HA 0.656 5.127 4.470 0.000 0.000 0.278 289 S C -0.979 173.742 174.600 0.201 0.000 1.139 289 S CA -0.598 57.713 58.200 0.185 0.000 0.954 289 S CB 1.872 65.154 63.200 0.138 0.000 1.054 289 S HN 0.730 nan 8.310 nan 0.000 0.483 290 V N 6.266 126.299 119.914 0.198 0.000 2.763 290 V HA 0.256 4.376 4.120 0.000 0.000 0.306 290 V C 0.367 176.541 176.094 0.132 0.000 1.059 290 V CA 0.449 62.851 62.300 0.169 0.000 1.138 290 V CB 0.573 32.502 31.823 0.175 0.000 0.940 290 V HN 0.815 nan 8.190 nan 0.000 0.489 291 M N 3.664 123.336 119.600 0.120 0.000 2.690 291 M HA 0.426 4.906 4.480 0.000 0.000 0.302 291 M C -0.415 175.941 176.300 0.093 0.000 1.234 291 M CA -0.997 54.356 55.300 0.089 0.000 0.853 291 M CB 1.889 34.533 32.600 0.074 0.000 1.748 291 M HN 0.378 nan 8.290 nan 0.000 0.469 292 L N 2.199 123.470 121.223 0.080 0.000 2.776 292 L HA -0.107 4.233 4.340 0.000 0.000 0.283 292 L C 0.472 177.409 176.870 0.113 0.000 1.194 292 L CA 0.681 55.579 54.840 0.097 0.000 0.947 292 L CB 0.296 42.406 42.059 0.086 0.000 1.255 292 L HN 0.851 nan 8.230 nan 0.000 0.481 293 S N 3.914 119.688 115.700 0.124 0.000 2.430 293 S HA 0.304 4.774 4.470 0.000 0.000 0.282 293 S C 1.078 175.767 174.600 0.149 0.000 1.186 293 S CA -0.094 58.183 58.200 0.129 0.000 1.060 293 S CB 1.368 64.640 63.200 0.119 0.000 0.966 293 S HN 0.750 nan 8.310 nan 0.000 0.501 294 A N 5.701 128.624 122.820 0.171 0.000 1.898 294 A HA 0.150 4.470 4.320 0.000 0.000 0.216 294 A C 2.358 180.018 177.584 0.126 0.000 1.181 294 A CA 1.566 53.729 52.037 0.210 0.000 0.620 294 A CB -1.239 17.985 19.000 0.373 0.000 0.819 294 A HN 1.130 nan 8.150 nan 0.000 0.442 295 A N -0.564 122.328 122.820 0.120 0.000 1.873 295 A HA -0.049 4.271 4.320 0.000 0.000 0.215 295 A C 2.452 180.087 177.584 0.085 0.000 1.186 295 A CA 2.017 54.104 52.037 0.083 0.000 0.616 295 A CB -0.933 18.120 19.000 0.088 0.000 0.823 295 A HN 0.437 nan 8.150 nan 0.000 0.442 296 S N -1.156 114.608 115.700 0.107 0.000 2.353 296 S HA -0.243 4.227 4.470 0.000 0.000 0.222 296 S C 2.050 176.755 174.600 0.175 0.000 1.035 296 S CA 1.447 59.720 58.200 0.122 0.000 1.025 296 S CB -0.898 62.370 63.200 0.113 0.000 0.902 296 S HN 0.743 nan 8.310 nan 0.000 0.440 297 C N 1.592 121.008 119.300 0.194 0.000 2.429 297 C HA 0.032 4.492 4.460 0.000 0.000 0.277 297 C C 2.470 177.572 174.990 0.188 0.000 1.262 297 C CA 0.538 59.727 59.018 0.285 0.000 1.733 297 C CB -1.635 26.276 27.740 0.286 0.000 2.010 297 C HN 0.552 nan 8.230 nan 0.000 0.483 298 L N 0.408 121.657 121.223 0.043 0.000 2.046 298 L HA -0.113 4.227 4.340 0.000 0.000 0.208 298 L C 2.365 179.220 176.870 -0.026 0.000 1.077 298 L CA 1.756 56.548 54.840 -0.081 0.000 0.747 298 L CB -0.945 41.000 42.059 -0.190 0.000 0.896 298 L HN 0.283 nan 8.230 nan 0.000 0.432 299 D N -0.490 119.938 120.400 0.047 0.000 2.106 299 D HA -0.260 4.380 4.640 0.000 0.000 0.191 299 D C 1.662 178.052 176.300 0.149 0.000 0.997 299 D CA 1.317 55.365 54.000 0.081 0.000 0.834 299 D CB -0.307 40.555 40.800 0.102 0.000 0.956 299 D HN 0.416 nan 8.370 nan 0.000 0.448 300 W N 1.836 123.141 121.300 0.008 0.000 2.379 300 W HA -0.008 4.652 4.660 0.000 0.000 0.307 300 W C 2.307 178.832 176.519 0.010 0.000 1.200 300 W CA 1.921 59.282 57.345 0.027 0.000 1.297 300 W CB -0.757 28.740 29.460 0.061 0.000 1.140 300 W HN -0.030 nan 8.180 nan 0.000 0.507 301 A N 0.924 123.618 122.820 -0.210 0.000 1.940 301 A HA -0.065 4.255 4.320 0.000 0.000 0.219 301 A C 2.179 179.594 177.584 -0.282 0.000 1.176 301 A CA 2.845 54.617 52.037 -0.442 0.000 0.631 301 A CB -1.467 17.286 19.000 -0.411 0.000 0.814 301 A HN 0.427 nan 8.150 nan 0.000 0.446 302 A N -0.458 122.269 122.820 -0.155 0.000 1.877 302 A HA -0.149 4.172 4.320 0.000 0.000 0.216 302 A C 2.083 179.617 177.584 -0.083 0.000 1.186 302 A CA 2.192 54.163 52.037 -0.109 0.000 0.620 302 A CB -0.393 18.569 19.000 -0.064 0.000 0.822 302 A HN 0.354 nan 8.150 nan 0.000 0.443 303 K N -0.644 119.733 120.400 -0.039 0.000 2.026 303 K HA -0.038 4.282 4.320 0.000 0.000 0.208 303 K C 1.796 178.372 176.600 -0.040 0.000 1.048 303 K CA 0.951 57.238 56.287 0.001 0.000 0.929 303 K CB -0.903 31.654 32.500 0.095 0.000 0.713 303 K HN 0.344 nan 8.250 nan 0.000 0.439 304 L N 1.170 122.309 121.223 -0.141 0.000 2.021 304 L HA -0.220 4.120 4.340 0.000 0.000 0.215 304 L C 1.900 178.701 176.870 -0.114 0.000 1.074 304 L CA 2.507 57.242 54.840 -0.174 0.000 0.760 304 L CB -1.367 40.418 42.059 -0.457 0.000 0.889 304 L HN 0.489 nan 8.230 nan 0.000 0.433 305 T N -3.613 110.855 114.554 -0.143 0.000 3.085 305 T HA 0.191 4.541 4.350 0.000 0.000 0.263 305 T C 1.452 176.100 174.700 -0.086 0.000 1.127 305 T CA 0.547 62.574 62.100 -0.122 0.000 1.103 305 T CB -0.565 68.215 68.868 -0.147 0.000 0.921 305 T HN 0.641 nan 8.240 nan 0.000 0.510 306 G N 1.240 110.001 108.800 -0.066 0.000 2.143 306 G HA2 -0.227 3.733 3.960 0.000 0.000 0.248 306 G HA3 -0.227 3.733 3.960 0.000 0.000 0.248 306 G C 0.414 175.285 174.900 -0.048 0.000 0.991 306 G CA 0.315 45.388 45.100 -0.044 0.000 0.689 306 G HN 0.584 nan 8.290 nan 0.000 0.522 307 L N 0.659 121.844 121.223 -0.063 0.000 2.653 307 L HA 0.251 4.591 4.340 0.000 0.000 0.231 307 L C 1.960 178.800 176.870 -0.050 0.000 1.153 307 L CA 0.717 55.520 54.840 -0.062 0.000 0.933 307 L CB 0.016 42.025 42.059 -0.084 0.000 1.175 307 L HN 0.621 nan 8.230 nan 0.000 0.473 308 S N -0.310 115.369 115.700 -0.036 0.000 3.119 308 S HA -0.274 4.196 4.470 0.000 0.000 0.298 308 S C 0.248 174.838 174.600 -0.018 0.000 1.294 308 S CA 1.319 59.508 58.200 -0.019 0.000 1.091 308 S CB -2.400 60.789 63.200 -0.018 0.000 1.271 308 S HN 0.884 nan 8.310 nan 0.000 0.693 309 N N -2.785 115.895 118.700 -0.032 0.000 3.951 309 N HA 0.218 4.958 4.740 0.000 0.000 0.222 309 N C -0.025 175.453 175.510 -0.054 0.000 1.352 309 N CA -0.270 52.762 53.050 -0.031 0.000 0.852 309 N CB 0.787 39.262 38.487 -0.020 0.000 1.444 309 N HN 0.006 nan 8.380 nan 0.000 0.473 310 V N 0.198 120.081 119.914 -0.052 0.000 2.426 310 V HA 0.067 4.187 4.120 0.000 0.000 0.242 310 V C -1.019 175.023 176.094 -0.087 0.000 1.036 310 V CA 1.378 63.629 62.300 -0.083 0.000 1.044 310 V CB -1.177 30.602 31.823 -0.074 0.000 0.688 310 V HN 0.590 nan 8.190 nan 0.000 0.462 311 P HA -0.171 nan 4.420 nan 0.000 0.215 311 P C 1.703 178.964 177.300 -0.066 0.000 1.153 311 P CA 2.172 65.241 63.100 -0.051 0.000 0.853 311 P CB -0.151 31.531 31.700 -0.030 0.000 0.788 312 A N -0.655 122.128 122.820 -0.063 0.000 1.908 312 A HA -0.205 4.115 4.320 0.000 0.000 0.218 312 A C 2.239 179.766 177.584 -0.094 0.000 1.181 312 A CA 1.717 53.711 52.037 -0.071 0.000 0.627 312 A CB -1.736 17.229 19.000 -0.059 0.000 0.818 312 A HN 0.183 nan 8.150 nan 0.000 0.445 313 L N -0.112 121.047 121.223 -0.107 0.000 2.012 313 L HA -0.155 4.185 4.340 0.000 0.000 0.210 313 L C 2.332 179.111 176.870 -0.151 0.000 1.073 313 L CA 1.839 56.597 54.840 -0.137 0.000 0.748 313 L CB -0.244 41.717 42.059 -0.162 0.000 0.891 313 L HN 0.463 nan 8.230 nan 0.000 0.431 314 I N -0.600 119.881 120.570 -0.147 0.000 2.202 314 I HA -0.286 3.885 4.170 0.000 0.000 0.242 314 I C 2.674 178.686 176.117 -0.174 0.000 1.091 314 I CA 1.059 62.279 61.300 -0.134 0.000 1.368 314 I CB -0.815 37.136 38.000 -0.082 0.000 1.058 314 I HN 0.372 nan 8.210 nan 0.000 0.410 315 A N 1.161 123.894 122.820 -0.145 0.000 1.892 315 A HA -0.265 4.055 4.320 0.000 0.000 0.218 315 A C 2.576 180.054 177.584 -0.176 0.000 1.188 315 A CA 2.345 54.288 52.037 -0.157 0.000 0.631 315 A CB -0.960 17.977 19.000 -0.104 0.000 0.822 315 A HN 0.459 nan 8.150 nan 0.000 0.447 316 A N -0.310 122.423 122.820 -0.144 0.000 1.902 316 A HA 0.128 4.448 4.320 0.000 0.000 0.217 316 A C 2.537 180.032 177.584 -0.148 0.000 1.181 316 A CA 2.300 54.259 52.037 -0.130 0.000 0.623 316 A CB -1.142 17.791 19.000 -0.111 0.000 0.818 316 A HN 1.232 nan 8.150 nan 0.000 0.443 317 A N -0.750 121.972 122.820 -0.164 0.000 1.948 317 A HA -0.274 4.046 4.320 0.000 0.000 0.220 317 A C 2.102 179.558 177.584 -0.213 0.000 1.177 317 A CA 1.797 53.753 52.037 -0.134 0.000 0.636 317 A CB -0.615 18.350 19.000 -0.059 0.000 0.815 317 A HN 0.677 nan 8.150 nan 0.000 0.449 318 Q N -1.251 118.289 119.800 -0.434 0.000 2.224 318 Q HA -0.159 4.181 4.340 0.000 0.000 0.203 318 Q C 1.886 177.755 176.000 -0.218 0.000 0.970 318 Q CA 1.166 56.660 55.803 -0.514 0.000 0.865 318 Q CB -0.089 28.283 28.738 -0.610 0.000 0.922 318 Q HN 0.614 nan 8.270 nan 0.000 0.445 319 Q N -0.295 119.408 119.800 -0.160 0.000 2.389 319 Q HA 0.137 4.478 4.340 0.000 0.000 0.204 319 Q C 0.411 176.374 176.000 -0.061 0.000 0.944 319 Q CA 0.273 56.019 55.803 -0.095 0.000 0.908 319 Q CB -0.074 28.612 28.738 -0.086 0.000 1.002 319 Q HN 0.240 nan 8.270 nan 0.000 0.493 320 A N 2.718 125.505 122.820 -0.056 0.000 2.536 320 A HA 0.039 4.359 4.320 0.000 0.000 0.234 320 A C 0.313 177.894 177.584 -0.005 0.000 1.076 320 A CA 0.233 52.257 52.037 -0.022 0.000 0.769 320 A CB 0.019 19.014 19.000 -0.008 0.000 1.020 320 A HN 0.307 nan 8.150 nan 0.000 0.508 321 D N 0.470 120.874 120.400 0.008 0.000 2.252 321 D HA 0.271 4.911 4.640 0.000 0.000 0.245 321 D C -0.398 175.913 176.300 0.018 0.000 1.009 321 D CA -0.501 53.504 54.000 0.008 0.000 0.870 321 D CB 1.320 42.120 40.800 -0.000 0.000 1.251 321 D HN 0.455 nan 8.370 nan 0.000 0.460 322 E N 0.681 120.888 120.200 0.013 0.000 2.476 322 E HA 0.033 4.383 4.350 0.000 0.000 0.196 322 E C 1.000 177.606 176.600 0.011 0.000 1.029 322 E CA 0.162 56.570 56.400 0.014 0.000 0.896 322 E CB 0.728 30.435 29.700 0.012 0.000 1.012 322 E HN 0.608 nan 8.360 nan 0.000 0.475 323 S N -0.569 115.137 115.700 0.011 0.000 2.575 323 S HA 0.295 4.765 4.470 0.000 0.000 0.230 323 S C 1.257 175.864 174.600 0.010 0.000 1.062 323 S CA 0.087 58.292 58.200 0.007 0.000 0.913 323 S CB 0.206 63.406 63.200 0.000 0.000 0.837 323 S HN 0.145 nan 8.310 nan 0.000 0.487 324 A N 2.950 125.777 122.820 0.013 0.000 2.603 324 A HA 0.177 4.497 4.320 0.000 0.000 0.235 324 A C 0.555 178.192 177.584 0.087 0.000 1.035 324 A CA 0.274 52.329 52.037 0.031 0.000 0.755 324 A CB -0.085 18.965 19.000 0.084 0.000 0.954 324 A HN 0.482 nan 8.150 nan 0.000 0.511 325 E N 2.677 122.946 120.200 0.116 0.000 2.392 325 E HA 0.198 4.548 4.350 0.000 0.000 0.259 325 E C -2.143 174.545 176.600 0.146 0.000 1.108 325 E CA -1.488 54.991 56.400 0.131 0.000 0.916 325 E CB -0.101 29.684 29.700 0.143 0.000 0.989 325 E HN 0.533 nan 8.360 nan 0.000 0.432 326 P HA -0.048 nan 4.420 nan 0.000 0.260 326 P C -0.300 176.841 177.300 -0.265 0.000 1.185 326 P CA 0.351 63.306 63.100 -0.242 0.000 0.763 326 P CB 0.252 31.674 31.700 -0.463 0.000 0.776 327 V N 3.905 123.616 119.914 -0.339 0.000 2.644 327 V HA 0.300 4.420 4.120 0.000 0.000 0.295 327 V C -0.033 175.935 176.094 -0.210 0.000 1.053 327 V CA -0.436 61.739 62.300 -0.209 0.000 0.987 327 V CB 0.658 32.326 31.823 -0.259 0.000 1.006 327 V HN 0.483 nan 8.190 nan 0.000 0.472 328 W N 3.420 124.936 121.300 0.360 0.000 2.429 328 W HA 0.594 5.254 4.660 0.000 0.000 0.314 328 W C -0.622 176.172 176.519 0.458 0.000 1.062 328 W CA -0.783 56.817 57.345 0.425 0.000 1.211 328 W CB 0.906 30.587 29.460 0.367 0.000 1.305 328 W HN 0.463 nan 8.180 nan 0.000 0.476 329 F N 5.056 125.255 119.950 0.416 0.000 2.404 329 F HA 0.623 5.150 4.527 0.000 0.000 0.354 329 F C -0.855 175.094 175.800 0.249 0.000 1.122 329 F CA -1.616 56.469 58.000 0.142 0.000 1.080 329 F CB 0.577 39.563 39.000 -0.024 0.000 1.131 329 F HN 0.163 nan 8.300 nan 0.000 0.471 330 L N 8.965 129.897 121.223 -0.485 0.000 2.295 330 L HA 0.481 4.821 4.340 0.000 0.000 0.281 330 L C -2.478 173.903 176.870 -0.815 0.000 1.018 330 L CA -1.899 52.676 54.840 -0.441 0.000 0.841 330 L CB 1.155 43.066 42.059 -0.247 0.000 1.218 330 L HN 0.436 nan 8.230 nan 0.000 0.424 331 P HA 0.212 nan 4.420 nan 0.000 0.292 331 P C -1.446 175.683 177.300 -0.285 0.000 1.287 331 P CA -0.383 62.477 63.100 -0.399 0.000 0.800 331 P CB 0.753 32.376 31.700 -0.129 0.000 0.945 332 Y N 2.306 122.662 120.300 0.092 0.000 2.575 332 Y HA 0.261 4.811 4.550 0.000 0.000 0.326 332 Y C 1.585 177.533 175.900 0.079 0.000 0.979 332 Y CA -0.462 57.694 58.100 0.092 0.000 1.286 332 Y CB 0.973 39.420 38.460 -0.022 0.000 1.093 332 Y HN 0.163 nan 8.280 nan 0.000 0.501 333 L N 2.207 123.554 121.223 0.206 0.000 2.642 333 L HA -0.095 4.245 4.340 0.000 0.000 0.236 333 L C 0.428 177.374 176.870 0.127 0.000 1.169 333 L CA 0.886 55.813 54.840 0.145 0.000 0.851 333 L CB -0.716 41.422 42.059 0.133 0.000 0.968 333 L HN 0.777 nan 8.230 nan 0.000 0.453 345 A N 1.369 124.136 122.820 -0.089 0.000 2.514 345 A HA -0.220 4.100 4.320 0.000 0.000 0.290 345 A C -0.867 176.456 177.584 -0.436 0.000 1.435 345 A CA 1.644 53.547 52.037 -0.224 0.000 0.728 345 A CB -1.130 17.685 19.000 -0.309 0.000 1.128 345 A HN 0.468 nan 8.150 nan 0.000 0.394 346 K N -0.803 119.531 120.400 -0.110 0.000 2.261 346 K HA 0.882 5.202 4.320 0.000 0.000 0.242 346 K C 0.459 177.342 176.600 0.472 0.000 1.083 346 K CA -0.320 56.016 56.287 0.082 0.000 0.880 346 K CB 1.974 34.529 32.500 0.092 0.000 1.353 346 K HN 1.378 nan 8.250 nan 0.000 0.486 347 G N -0.519 108.606 108.800 0.543 0.000 2.523 347 G HA2 0.514 4.474 3.960 0.000 0.000 0.291 347 G HA3 0.514 4.474 3.960 0.000 0.000 0.291 347 G C -1.954 173.065 174.900 0.200 0.000 1.450 347 G CA -0.508 44.789 45.100 0.327 0.000 0.790 347 G HN 0.275 nan 8.290 nan 0.000 0.496 348 V N 0.186 120.110 119.914 0.016 0.000 2.686 348 V HA 0.562 4.682 4.120 0.000 0.000 0.306 348 V C -1.149 174.967 176.094 0.036 0.000 1.065 348 V CA -0.652 61.710 62.300 0.103 0.000 0.894 348 V CB 1.748 33.685 31.823 0.190 0.000 1.004 348 V HN 0.621 nan 8.190 nan 0.000 0.424 349 F N 4.347 124.496 119.950 0.331 0.000 2.410 349 F HA 0.596 5.123 4.527 0.000 0.000 0.349 349 F C -0.328 175.675 175.800 0.338 0.000 1.117 349 F CA -0.299 57.904 58.000 0.339 0.000 1.104 349 F CB 1.304 40.436 39.000 0.220 0.000 1.122 349 F HN 0.435 nan 8.300 nan 0.000 0.483 350 F N 1.959 122.172 119.950 0.438 0.000 2.507 350 F HA 0.605 5.132 4.527 0.000 0.000 0.328 350 F C 0.317 176.374 175.800 0.430 0.000 1.136 350 F CA -0.488 57.719 58.000 0.345 0.000 0.930 350 F CB 1.777 40.928 39.000 0.252 0.000 1.166 350 F HN 0.613 nan 8.300 nan 0.000 0.436 351 G N 4.889 113.746 108.800 0.095 0.000 2.145 351 G HA2 -0.160 3.800 3.960 0.000 0.000 0.176 351 G HA3 -0.160 3.800 3.960 0.000 0.000 0.176 351 G C -1.074 173.947 174.900 0.203 0.000 1.013 351 G CA -0.751 44.478 45.100 0.214 0.000 0.689 351 G HN 0.536 nan 8.290 nan 0.000 0.506 352 L N 2.147 123.450 121.223 0.132 0.000 2.410 352 L HA 0.651 4.992 4.340 0.000 0.000 0.273 352 L C 1.365 178.372 176.870 0.228 0.000 1.152 352 L CA 0.809 55.783 54.840 0.223 0.000 0.855 352 L CB 0.543 42.664 42.059 0.105 0.000 1.129 352 L HN 0.615 nan 8.230 nan 0.000 0.463 353 T N -0.466 114.305 114.554 0.361 0.000 2.807 353 T HA 0.340 4.690 4.350 0.000 0.000 0.277 353 T C 1.135 175.810 174.700 -0.043 0.000 1.006 353 T CA -0.498 61.571 62.100 -0.051 0.000 1.006 353 T CB 0.722 69.468 68.868 -0.204 0.000 1.274 353 T HN 0.507 nan 8.240 nan 0.000 0.569 354 H N 0.385 119.383 119.070 -0.119 0.000 2.518 354 H HA 0.026 4.582 4.556 0.000 0.000 0.289 354 H C 2.021 177.253 175.328 -0.159 0.000 1.051 354 H CA 1.562 57.547 56.048 -0.105 0.000 1.280 354 H CB -0.167 29.551 29.762 -0.074 0.000 1.380 354 H HN 0.742 nan 8.280 nan 0.000 0.566 355 Q N 0.305 119.982 119.800 -0.205 0.000 2.282 355 Q HA 0.009 4.349 4.340 0.000 0.000 0.205 355 Q C -0.538 175.314 176.000 -0.247 0.000 0.915 355 Q CA 0.179 55.828 55.803 -0.256 0.000 0.949 355 Q CB 0.201 28.772 28.738 -0.277 0.000 1.035 355 Q HN 0.340 nan 8.270 nan 0.000 0.484 356 H N 0.644 119.711 119.070 -0.006 0.000 2.762 356 H HA 0.497 5.053 4.556 0.000 0.000 0.310 356 H C -0.109 175.177 175.328 -0.070 0.000 1.004 356 H CA -0.379 55.642 56.048 -0.044 0.000 1.267 356 H CB 1.415 31.143 29.762 -0.056 0.000 1.437 356 H HN 0.322 nan 8.280 nan 0.000 0.498 357 G N 2.205 111.031 108.800 0.043 0.000 2.705 357 G HA2 0.253 4.213 3.960 0.000 0.000 0.299 357 G HA3 0.253 4.213 3.960 0.000 0.000 0.299 357 G C -1.600 173.260 174.900 -0.068 0.000 1.315 357 G CA -1.809 43.277 45.100 -0.023 0.000 1.045 357 G HN 0.188 nan 8.290 nan 0.000 0.517 358 P HA -0.141 nan 4.420 nan 0.000 0.218 358 P C 1.438 178.674 177.300 -0.107 0.000 1.146 358 P CA 0.975 64.007 63.100 -0.113 0.000 0.813 358 P CB 0.228 31.872 31.700 -0.093 0.000 0.778 359 N N -0.172 118.480 118.700 -0.079 0.000 2.028 359 N HA -0.150 4.591 4.740 0.000 0.000 0.194 359 N C 1.597 177.067 175.510 -0.067 0.000 1.050 359 N CA 1.384 54.390 53.050 -0.073 0.000 0.848 359 N CB -1.063 37.391 38.487 -0.055 0.000 1.038 359 N HN 0.132 nan 8.380 nan 0.000 0.423 360 E N 0.743 120.920 120.200 -0.038 0.000 2.114 360 E HA -0.148 4.202 4.350 0.000 0.000 0.199 360 E C 1.956 178.493 176.600 -0.105 0.000 1.008 360 E CA 0.549 56.932 56.400 -0.028 0.000 0.810 360 E CB -0.490 29.259 29.700 0.082 0.000 0.739 360 E HN 0.171 nan 8.360 nan 0.000 0.456 361 L N -0.076 121.051 121.223 -0.161 0.000 2.083 361 L HA -0.088 4.252 4.340 0.000 0.000 0.209 361 L C 2.061 178.845 176.870 -0.144 0.000 1.083 361 L CA 1.777 56.468 54.840 -0.249 0.000 0.752 361 L CB -0.767 41.066 42.059 -0.377 0.000 0.899 361 L HN 0.160 nan 8.230 nan 0.000 0.433 362 A N -0.928 121.810 122.820 -0.138 0.000 1.898 362 A HA -0.221 4.100 4.320 0.000 0.000 0.216 362 A C 2.427 179.946 177.584 -0.107 0.000 1.181 362 A CA 1.525 53.476 52.037 -0.142 0.000 0.620 362 A CB -0.490 18.427 19.000 -0.138 0.000 0.819 362 A HN 0.345 nan 8.150 nan 0.000 0.442 363 R N 0.035 120.502 120.500 -0.055 0.000 2.091 363 R HA -0.120 4.221 4.340 0.000 0.000 0.238 363 R C 2.130 178.423 176.300 -0.011 0.000 1.136 363 R CA 1.840 57.944 56.100 0.006 0.000 0.959 363 R CB -0.551 29.767 30.300 0.031 0.000 0.856 363 R HN 0.431 nan 8.270 nan 0.000 0.437 364 A N -0.486 122.326 122.820 -0.013 0.000 1.969 364 A HA -0.057 4.263 4.320 0.000 0.000 0.218 364 A C 2.232 179.864 177.584 0.080 0.000 1.169 364 A CA 1.492 53.565 52.037 0.060 0.000 0.635 364 A CB -0.419 18.674 19.000 0.156 0.000 0.810 364 A HN 0.199 nan 8.150 nan 0.000 0.445 365 V N 0.233 120.088 119.914 -0.098 0.000 2.295 365 V HA -0.248 3.872 4.120 0.000 0.000 0.246 365 V C 2.545 178.568 176.094 -0.118 0.000 1.049 365 V CA 1.838 63.944 62.300 -0.323 0.000 1.024 365 V CB -0.797 30.691 31.823 -0.559 0.000 0.648 365 V HN 0.561 nan 8.190 nan 0.000 0.447 366 L N -0.304 120.825 121.223 -0.157 0.000 2.046 366 L HA -0.203 4.137 4.340 0.000 0.000 0.208 366 L C 2.638 179.548 176.870 0.067 0.000 1.077 366 L CA 1.839 56.601 54.840 -0.131 0.000 0.747 366 L CB -0.636 41.337 42.059 -0.143 0.000 0.896 366 L HN 0.416 nan 8.230 nan 0.000 0.432 367 E N -0.227 119.903 120.200 -0.117 0.000 2.106 367 E HA -0.149 4.201 4.350 0.000 0.000 0.192 367 E C 2.162 178.216 176.600 -0.910 0.000 0.984 367 E CA 1.020 57.111 56.400 -0.516 0.000 0.806 367 E CB -0.216 29.201 29.700 -0.472 0.000 0.750 367 E HN 0.546 nan 8.360 nan 0.000 0.458 368 G N 0.675 109.272 108.800 -0.339 0.000 2.408 368 G HA2 -0.164 3.797 3.960 0.000 0.000 0.215 368 G HA3 -0.164 3.797 3.960 0.000 0.000 0.215 368 G C 1.731 176.582 174.900 -0.081 0.000 1.156 368 G CA 0.307 45.335 45.100 -0.120 0.000 0.793 368 G HN 0.087 nan 8.290 nan 0.000 0.535 369 V N 1.710 121.680 119.914 0.094 0.000 2.287 369 V HA -0.111 4.009 4.120 0.000 0.000 0.248 369 V C 3.140 179.253 176.094 0.032 0.000 1.053 369 V CA 2.120 64.507 62.300 0.144 0.000 1.027 369 V CB -1.053 30.936 31.823 0.276 0.000 0.646 369 V HN 0.419 nan 8.190 nan 0.000 0.447 370 G N -1.409 107.368 108.800 -0.038 0.000 2.418 370 G HA2 -0.268 3.692 3.960 0.000 0.000 0.217 370 G HA3 -0.268 3.692 3.960 0.000 0.000 0.217 370 G C 1.392 176.108 174.900 -0.306 0.000 1.158 370 G CA 0.989 45.942 45.100 -0.244 0.000 0.771 370 G HN 0.483 nan 8.290 nan 0.000 0.545 371 Y N 1.383 121.413 120.300 -0.449 0.000 2.128 371 Y HA -0.051 4.499 4.550 0.000 0.000 0.284 371 Y C 3.139 178.663 175.900 -0.627 0.000 1.154 371 Y CA 0.336 58.001 58.100 -0.725 0.000 1.149 371 Y CB -1.156 36.447 38.460 -1.429 0.000 0.976 371 Y HN 0.273 nan 8.280 nan 0.000 0.505 372 A N 0.044 122.640 122.820 -0.374 0.000 1.873 372 A HA -0.119 4.201 4.320 0.000 0.000 0.215 372 A C 2.387 179.896 177.584 -0.126 0.000 1.186 372 A CA 1.481 53.430 52.037 -0.147 0.000 0.616 372 A CB -1.122 17.859 19.000 -0.031 0.000 0.823 372 A HN 0.442 nan 8.150 nan 0.000 0.442 373 L N -0.775 120.368 121.223 -0.133 0.000 2.046 373 L HA -0.218 4.122 4.340 0.000 0.000 0.208 373 L C 3.108 179.849 176.870 -0.214 0.000 1.077 373 L CA 1.127 55.873 54.840 -0.158 0.000 0.747 373 L CB -0.629 41.328 42.059 -0.171 0.000 0.896 373 L HN 0.459 nan 8.230 nan 0.000 0.432 374 A N -0.227 122.473 122.820 -0.201 0.000 1.902 374 A HA -0.227 4.093 4.320 0.000 0.000 0.217 374 A C 1.942 179.430 177.584 -0.161 0.000 1.181 374 A CA 1.945 53.873 52.037 -0.181 0.000 0.623 374 A CB -0.491 18.431 19.000 -0.130 0.000 0.818 374 A HN 0.328 nan 8.150 nan 0.000 0.443 375 D N -0.395 119.929 120.400 -0.127 0.000 2.144 375 D HA -0.058 4.582 4.640 0.000 0.000 0.200 375 D C 2.084 178.311 176.300 -0.122 0.000 0.978 375 D CA 1.365 55.308 54.000 -0.095 0.000 0.833 375 D CB -0.605 40.164 40.800 -0.052 0.000 0.961 375 D HN 0.422 nan 8.370 nan 0.000 0.470 376 G N 0.466 109.181 108.800 -0.142 0.000 2.418 376 G HA2 -0.238 3.722 3.960 0.000 0.000 0.217 376 G HA3 -0.238 3.722 3.960 0.000 0.000 0.217 376 G C 1.676 176.455 174.900 -0.202 0.000 1.158 376 G CA 0.494 45.514 45.100 -0.134 0.000 0.771 376 G HN 0.196 nan 8.290 nan 0.000 0.545 377 M N 0.547 119.920 119.600 -0.378 0.000 2.080 377 M HA -0.076 4.404 4.480 0.000 0.000 0.260 377 M C 2.164 178.069 176.300 -0.659 0.000 1.068 377 M CA 1.518 56.423 55.300 -0.659 0.000 1.109 377 M CB -0.423 31.680 32.600 -0.828 0.000 1.342 377 M HN 0.082 nan 8.290 nan 0.000 0.405 378 D N 0.163 120.344 120.400 -0.365 0.000 2.149 378 D HA -0.136 4.505 4.640 0.000 0.000 0.198 378 D C 2.036 178.277 176.300 -0.099 0.000 0.990 378 D CA 1.159 55.058 54.000 -0.169 0.000 0.839 378 D CB -0.381 40.385 40.800 -0.056 0.000 0.948 378 D HN 0.148 nan 8.370 nan 0.000 0.460 379 V N 0.482 120.334 119.914 -0.104 0.000 2.261 379 V HA -0.232 3.888 4.120 0.000 0.000 0.246 379 V C 2.667 178.743 176.094 -0.030 0.000 1.047 379 V CA 1.127 63.396 62.300 -0.053 0.000 1.015 379 V CB -0.509 31.285 31.823 -0.049 0.000 0.642 379 V HN 0.062 nan 8.190 nan 0.000 0.446 380 V N -0.014 119.886 119.914 -0.023 0.000 2.252 380 V HA -0.372 3.749 4.120 0.000 0.000 0.249 380 V C 2.232 178.390 176.094 0.107 0.000 1.056 380 V CA 2.643 64.969 62.300 0.042 0.000 1.022 380 V CB -1.089 30.834 31.823 0.167 0.000 0.641 380 V HN 0.691 nan 8.190 nan 0.000 0.445 381 H N -0.132 118.987 119.070 0.082 0.000 2.422 381 H HA -0.091 4.465 4.556 0.000 0.000 0.298 381 H C 2.220 177.551 175.328 0.005 0.000 1.098 381 H CA 0.897 56.974 56.048 0.048 0.000 1.315 381 H CB -0.099 29.698 29.762 0.058 0.000 1.382 381 H HN 0.495 nan 8.280 nan 0.000 0.523 382 A N 0.300 123.187 122.820 0.113 0.000 2.121 382 A HA -0.108 4.212 4.320 0.000 0.000 0.218 382 A C 2.140 179.726 177.584 0.004 0.000 1.154 382 A CA 0.844 52.907 52.037 0.044 0.000 0.679 382 A CB -0.632 18.378 19.000 0.017 0.000 0.795 382 A HN 0.515 nan 8.150 nan 0.000 0.458 383 C N -1.408 117.889 119.300 -0.006 0.000 2.562 383 C HA 0.426 4.886 4.460 0.000 0.000 0.266 383 C C 1.765 176.717 174.990 -0.064 0.000 1.382 383 C CA 0.453 59.438 59.018 -0.055 0.000 1.742 383 C CB -1.082 26.608 27.740 -0.084 0.000 1.812 383 C HN 1.048 nan 8.230 nan 0.000 0.559 384 G N 0.554 109.338 108.800 -0.026 0.000 2.247 384 G HA2 -0.077 3.883 3.960 0.000 0.000 0.111 384 G HA3 -0.077 3.883 3.960 0.000 0.000 0.111 384 G C -0.424 174.457 174.900 -0.032 0.000 1.045 384 G CA -0.626 44.451 45.100 -0.039 0.000 0.715 384 G HN 0.340 nan 8.290 nan 0.000 0.485 385 I N 0.149 120.720 120.570 0.002 0.000 2.474 385 I HA 0.537 4.707 4.170 0.000 0.000 0.294 385 I C -0.082 175.974 176.117 -0.101 0.000 1.005 385 I CA -0.783 60.508 61.300 -0.014 0.000 1.113 385 I CB 2.073 40.103 38.000 0.051 0.000 1.289 385 I HN 0.070 nan 8.210 nan 0.000 0.436 386 K N 7.403 127.725 120.400 -0.131 0.000 2.626 386 K HA 0.459 4.779 4.320 0.000 0.000 0.223 386 K C -2.798 173.704 176.600 -0.163 0.000 0.992 386 K CA -1.358 54.812 56.287 -0.195 0.000 1.024 386 K CB 1.777 34.209 32.500 -0.114 0.000 1.225 386 K HN 0.239 nan 8.250 nan 0.000 0.498 387 P HA 0.187 nan 4.420 nan 0.000 0.279 387 P C 0.134 177.395 177.300 -0.064 0.000 1.239 387 P CA -0.263 62.784 63.100 -0.088 0.000 0.789 387 P CB 1.193 32.879 31.700 -0.023 0.000 0.933 388 Q N 0.481 120.265 119.800 -0.027 0.000 2.212 388 Q HA 0.058 4.398 4.340 0.000 0.000 0.199 388 Q C 0.501 176.498 176.000 -0.005 0.000 0.950 388 Q CA 0.821 56.611 55.803 -0.021 0.000 0.863 388 Q CB 0.210 28.940 28.738 -0.012 0.000 0.944 388 Q HN 0.633 nan 8.270 nan 0.000 0.465 389 S N -1.518 114.193 115.700 0.017 0.000 2.625 389 S HA 0.610 5.080 4.470 0.000 0.000 0.271 389 S C -1.021 173.624 174.600 0.075 0.000 1.161 389 S CA -0.979 57.243 58.200 0.037 0.000 0.820 389 S CB 1.939 65.159 63.200 0.034 0.000 1.137 389 S HN -0.097 nan 8.310 nan 0.000 0.470 390 V N 1.333 121.302 119.914 0.092 0.000 2.656 390 V HA 0.609 4.729 4.120 0.000 0.000 0.307 390 V C -0.205 175.958 176.094 0.114 0.000 1.051 390 V CA -0.499 61.885 62.300 0.140 0.000 0.893 390 V CB 1.973 33.907 31.823 0.185 0.000 0.999 390 V HN 1.032 nan 8.190 nan 0.000 0.426 391 T N 5.614 120.241 114.554 0.122 0.000 2.799 391 T HA 0.571 4.921 4.350 0.000 0.000 0.286 391 T C -0.626 174.142 174.700 0.114 0.000 0.973 391 T CA -0.204 61.958 62.100 0.102 0.000 1.035 391 T CB 0.951 69.860 68.868 0.069 0.000 0.932 391 T HN 0.246 nan 8.240 nan 0.000 0.469 392 L N 5.088 126.390 121.223 0.133 0.000 2.287 392 L HA 0.650 4.990 4.340 0.000 0.000 0.287 392 L C -0.275 176.708 176.870 0.187 0.000 1.022 392 L CA -0.566 54.358 54.840 0.140 0.000 0.814 392 L CB 0.814 42.950 42.059 0.128 0.000 1.217 392 L HN 0.637 nan 8.230 nan 0.000 0.420 393 I N 1.128 121.780 120.570 0.137 0.000 2.892 393 I HA 1.045 5.215 4.170 0.000 0.000 0.306 393 I C 0.303 176.497 176.117 0.129 0.000 1.078 393 I CA -0.347 61.031 61.300 0.129 0.000 1.032 393 I CB 2.158 40.193 38.000 0.059 0.000 1.229 393 I HN 0.731 nan 8.210 nan 0.000 0.435 394 G N 2.596 111.474 108.800 0.131 0.000 2.655 394 G HA2 -0.006 3.954 3.960 0.000 0.000 0.680 394 G HA3 -0.006 3.954 3.960 0.000 0.000 0.680 394 G C 0.395 175.374 174.900 0.132 0.000 1.302 394 G CA -0.274 44.893 45.100 0.112 0.000 0.872 394 G HN 1.436 nan 8.290 nan 0.000 0.540 395 G N -0.436 108.430 108.800 0.110 0.000 2.432 395 G HA2 0.256 4.217 3.960 0.000 0.000 0.219 395 G HA3 0.256 4.217 3.960 0.000 0.000 0.219 395 G C 1.738 176.705 174.900 0.111 0.000 1.135 395 G CA 1.752 46.912 45.100 0.101 0.000 0.767 395 G HN 1.927 nan 8.290 nan 0.000 0.550 396 G N 0.093 108.980 108.800 0.146 0.000 2.920 396 G HA2 0.310 4.271 3.960 0.000 0.000 0.208 396 G HA3 0.310 4.271 3.960 0.000 0.000 0.208 396 G C 1.398 176.455 174.900 0.261 0.000 1.159 396 G CA 0.906 46.136 45.100 0.217 0.000 0.784 396 G HN 0.576 nan 8.290 nan 0.000 0.535 397 A N 0.564 123.471 122.820 0.145 0.000 2.251 397 A HA 0.232 4.552 4.320 0.000 0.000 0.209 397 A C 2.210 179.673 177.584 -0.202 0.000 1.187 397 A CA 0.039 52.091 52.037 0.025 0.000 0.823 397 A CB -0.109 18.977 19.000 0.143 0.000 0.846 397 A HN 0.378 nan 8.150 nan 0.000 0.486 398 R N -0.029 120.433 120.500 -0.062 0.000 2.193 398 R HA 0.067 4.407 4.340 0.000 0.000 0.213 398 R C 0.906 177.133 176.300 -0.121 0.000 1.055 398 R CA 0.771 56.809 56.100 -0.105 0.000 0.995 398 R CB -0.248 30.072 30.300 0.032 0.000 0.893 398 R HN 0.343 nan 8.270 nan 0.000 0.459 399 S N 1.015 116.693 115.700 -0.036 0.000 2.513 399 S HA 0.009 4.479 4.470 0.000 0.000 0.276 399 S C 0.985 175.575 174.600 -0.017 0.000 1.254 399 S CA -0.615 57.602 58.200 0.028 0.000 1.053 399 S CB 1.705 64.988 63.200 0.139 0.000 0.958 399 S HN 0.347 nan 8.310 nan 0.000 0.491 400 E N 3.820 124.040 120.200 0.032 0.000 2.107 400 E HA -0.175 4.175 4.350 0.000 0.000 0.191 400 E C 1.360 178.002 176.600 0.069 0.000 0.982 400 E CA 1.030 57.468 56.400 0.064 0.000 0.809 400 E CB -0.271 29.514 29.700 0.141 0.000 0.756 400 E HN 0.934 nan 8.360 nan 0.000 0.459 401 Y N -0.478 119.838 120.300 0.027 0.000 2.128 401 Y HA -0.237 4.313 4.550 0.000 0.000 0.284 401 Y C 1.810 177.755 175.900 0.075 0.000 1.154 401 Y CA 2.133 60.262 58.100 0.049 0.000 1.149 401 Y CB -0.419 38.073 38.460 0.054 0.000 0.976 401 Y HN 0.238 nan 8.280 nan 0.000 0.505 402 W N 1.576 122.761 121.300 -0.191 0.000 2.523 402 W HA 0.027 4.688 4.660 0.000 0.000 0.278 402 W C 2.259 178.578 176.519 -0.334 0.000 1.236 402 W CA 1.163 58.330 57.345 -0.297 0.000 1.306 402 W CB -0.269 29.115 29.460 -0.127 0.000 1.101 402 W HN -0.058 nan 8.180 nan 0.000 0.577 403 R N -0.269 120.002 120.500 -0.381 0.000 2.083 403 R HA -0.240 4.100 4.340 0.000 0.000 0.237 403 R C 2.054 177.951 176.300 -0.673 0.000 1.137 403 R CA 1.876 57.586 56.100 -0.649 0.000 0.951 403 R CB -0.747 29.037 30.300 -0.861 0.000 0.851 403 R HN 0.115 nan 8.270 nan 0.000 0.434 404 Q N 0.922 120.385 119.800 -0.561 0.000 2.079 404 Q HA -0.127 4.213 4.340 0.000 0.000 0.200 404 Q C 2.000 177.841 176.000 -0.266 0.000 0.974 404 Q CA 1.636 57.266 55.803 -0.289 0.000 0.840 404 Q CB -0.202 28.480 28.738 -0.094 0.000 0.898 404 Q HN 0.279 nan 8.270 nan 0.000 0.430 405 M N -0.930 118.445 119.600 -0.375 0.000 2.082 405 M HA -0.209 4.271 4.480 0.000 0.000 0.258 405 M C 1.357 177.422 176.300 -0.392 0.000 1.069 405 M CA 1.453 56.551 55.300 -0.337 0.000 1.102 405 M CB -0.161 32.228 32.600 -0.353 0.000 1.336 405 M HN 0.350 nan 8.290 nan 0.000 0.404 406 L N 0.691 121.572 121.223 -0.571 0.000 2.042 406 L HA -0.116 4.224 4.340 0.000 0.000 0.210 406 L C 2.777 179.449 176.870 -0.331 0.000 1.076 406 L CA 2.204 56.703 54.840 -0.567 0.000 0.749 406 L CB -1.606 39.994 42.059 -0.765 0.000 0.893 406 L HN 0.436 nan 8.230 nan 0.000 0.432 407 A N -0.975 121.691 122.820 -0.256 0.000 1.898 407 A HA -0.188 4.132 4.320 0.000 0.000 0.216 407 A C 1.994 179.558 177.584 -0.034 0.000 1.181 407 A CA 1.727 53.691 52.037 -0.121 0.000 0.620 407 A CB -0.551 18.407 19.000 -0.070 0.000 0.819 407 A HN 0.412 nan 8.150 nan 0.000 0.442 408 D N -0.007 120.387 120.400 -0.011 0.000 2.144 408 D HA -0.088 4.552 4.640 0.000 0.000 0.200 408 D C 1.848 178.284 176.300 0.227 0.000 0.978 408 D CA 1.054 55.145 54.000 0.152 0.000 0.833 408 D CB -0.282 40.640 40.800 0.204 0.000 0.961 408 D HN 0.527 nan 8.370 nan 0.000 0.470 409 I N 0.971 121.503 120.570 -0.062 0.000 2.233 409 I HA -0.226 3.944 4.170 0.000 0.000 0.243 409 I C 2.412 178.555 176.117 0.044 0.000 1.093 409 I CA 1.229 62.419 61.300 -0.183 0.000 1.380 409 I CB -0.140 37.581 38.000 -0.465 0.000 1.067 409 I HN -0.009 nan 8.210 nan 0.000 0.413 410 S N 0.222 115.926 115.700 0.007 0.000 2.446 410 S HA 0.094 4.564 4.470 0.000 0.000 0.225 410 S C 1.816 176.505 174.600 0.147 0.000 1.016 410 S CA 0.509 58.726 58.200 0.027 0.000 0.943 410 S CB 0.021 63.172 63.200 -0.082 0.000 0.786 410 S HN 0.598 nan 8.310 nan 0.000 0.508 411 G N 0.929 109.808 108.800 0.132 0.000 2.153 411 G HA2 -0.205 3.755 3.960 0.000 0.000 0.252 411 G HA3 -0.205 3.755 3.960 0.000 0.000 0.252 411 G C -0.206 174.623 174.900 -0.118 0.000 0.994 411 G CA 0.183 45.195 45.100 -0.147 0.000 0.698 411 G HN 0.545 nan 8.290 nan 0.000 0.521 412 Q N -0.067 119.704 119.800 -0.047 0.000 2.245 412 Q HA 0.371 4.711 4.340 0.000 0.000 0.256 412 Q C 0.350 176.333 176.000 -0.029 0.000 0.942 412 Q CA -0.565 55.220 55.803 -0.029 0.000 0.896 412 Q CB 1.378 30.124 28.738 0.013 0.000 1.272 412 Q HN 0.612 nan 8.270 nan 0.000 0.442 413 Q N 2.722 122.512 119.800 -0.017 0.000 2.255 413 Q HA 0.152 4.492 4.340 0.000 0.000 0.280 413 Q C -1.117 174.903 176.000 0.033 0.000 1.068 413 Q CA 0.232 56.041 55.803 0.010 0.000 0.911 413 Q CB 0.274 29.015 28.738 0.006 0.000 1.157 413 Q HN 0.479 nan 8.270 nan 0.000 0.380 414 L N 4.536 125.793 121.223 0.058 0.000 2.325 414 L HA 0.426 4.766 4.340 0.000 0.000 0.281 414 L C -0.837 176.118 176.870 0.142 0.000 1.004 414 L CA -0.992 53.888 54.840 0.067 0.000 0.823 414 L CB 1.620 43.671 42.059 -0.014 0.000 1.236 414 L HN 0.556 nan 8.230 nan 0.000 0.415 415 D N 2.007 122.483 120.400 0.126 0.000 2.232 415 D HA 0.226 4.866 4.640 0.000 0.000 0.242 415 D C -0.931 175.499 176.300 0.217 0.000 1.093 415 D CA -0.057 54.031 54.000 0.146 0.000 0.845 415 D CB 1.850 42.701 40.800 0.084 0.000 1.124 415 D HN 0.218 nan 8.370 nan 0.000 0.467 416 Y N 2.327 122.681 120.300 0.089 0.000 2.328 416 Y HA 0.375 4.926 4.550 0.000 0.000 0.337 416 Y C -0.004 175.922 175.900 0.044 0.000 1.008 416 Y CA -0.477 57.667 58.100 0.073 0.000 1.129 416 Y CB 0.748 39.275 38.460 0.111 0.000 1.185 416 Y HN 0.192 nan 8.280 nan 0.000 0.476 417 R N 1.523 121.788 120.500 -0.391 0.000 2.919 417 R HA 0.504 4.844 4.340 0.000 0.000 0.260 417 R C -0.697 175.337 176.300 -0.444 0.000 1.067 417 R CA -1.110 54.809 56.100 -0.302 0.000 1.003 417 R CB 1.696 31.906 30.300 -0.150 0.000 1.192 417 R HN 0.677 nan 8.270 nan 0.000 0.488 418 T N -1.395 113.007 114.554 -0.253 0.000 2.767 418 T HA 0.450 4.800 4.350 0.000 0.000 0.288 418 T C 0.856 175.472 174.700 -0.140 0.000 0.963 418 T CA 0.458 62.435 62.100 -0.204 0.000 1.019 418 T CB 1.097 69.891 68.868 -0.124 0.000 0.923 418 T HN 0.792 nan 8.240 nan 0.000 0.468 419 G N 2.714 111.439 108.800 -0.124 0.000 2.157 419 G HA2 -0.178 3.783 3.960 0.000 0.000 0.239 419 G HA3 -0.178 3.783 3.960 0.000 0.000 0.239 419 G C 0.992 175.841 174.900 -0.085 0.000 0.982 419 G CA 0.068 45.117 45.100 -0.086 0.000 0.650 419 G HN 1.434 nan 8.290 nan 0.000 0.527 420 G N 0.435 109.170 108.800 -0.108 0.000 2.740 420 G HA2 0.266 4.227 3.960 0.000 0.000 0.208 420 G HA3 0.266 4.227 3.960 0.000 0.000 0.208 420 G C 0.860 175.732 174.900 -0.046 0.000 1.148 420 G CA 1.560 46.612 45.100 -0.081 0.000 0.795 420 G HN 0.776 nan 8.290 nan 0.000 0.526 421 D N -1.498 118.878 120.400 -0.040 0.000 2.500 421 D HA 0.067 4.707 4.640 0.000 0.000 0.217 421 D C 1.749 178.034 176.300 -0.025 0.000 1.159 421 D CA -0.230 53.761 54.000 -0.016 0.000 0.828 421 D CB 0.073 40.873 40.800 -0.000 0.000 1.039 421 D HN 0.124 nan 8.370 nan 0.000 0.512 422 V N 0.365 120.255 119.914 -0.040 0.000 2.788 422 V HA 0.350 4.470 4.120 0.000 0.000 0.251 422 V C 1.532 177.595 176.094 -0.050 0.000 1.068 422 V CA 1.166 63.440 62.300 -0.044 0.000 1.090 422 V CB -0.927 30.866 31.823 -0.051 0.000 0.710 422 V HN 0.625 nan 8.190 nan 0.000 0.467 423 G N -0.054 108.711 108.800 -0.059 0.000 2.660 423 G HA2 -0.139 3.821 3.960 0.000 0.000 0.247 423 G HA3 -0.139 3.821 3.960 0.000 0.000 0.247 423 G C -2.002 172.844 174.900 -0.089 0.000 1.328 423 G CA -0.222 44.835 45.100 -0.071 0.000 0.884 423 G HN 0.187 nan 8.290 nan 0.000 0.531 424 P HA 0.051 nan 4.420 nan 0.000 0.223 424 P C 2.033 179.275 177.300 -0.097 0.000 1.144 424 P CA 2.546 65.578 63.100 -0.114 0.000 0.783 424 P CB -0.108 31.519 31.700 -0.122 0.000 0.771 425 A N -0.448 122.322 122.820 -0.084 0.000 1.930 425 A HA -0.171 4.149 4.320 0.000 0.000 0.217 425 A C 2.068 179.608 177.584 -0.074 0.000 1.175 425 A CA 1.285 53.276 52.037 -0.077 0.000 0.627 425 A CB -1.548 17.409 19.000 -0.072 0.000 0.815 425 A HN 0.181 nan 8.150 nan 0.000 0.443 426 L N 0.254 121.432 121.223 -0.075 0.000 2.042 426 L HA -0.057 4.284 4.340 0.000 0.000 0.210 426 L C 2.379 179.200 176.870 -0.083 0.000 1.076 426 L CA 2.409 57.205 54.840 -0.073 0.000 0.749 426 L CB -1.088 40.928 42.059 -0.072 0.000 0.893 426 L HN 0.294 nan 8.230 nan 0.000 0.432 427 G N -1.080 107.664 108.800 -0.093 0.000 2.440 427 G HA2 -0.286 3.674 3.960 0.000 0.000 0.218 427 G HA3 -0.286 3.674 3.960 0.000 0.000 0.218 427 G C 1.600 176.443 174.900 -0.095 0.000 1.154 427 G CA 0.890 45.931 45.100 -0.099 0.000 0.767 427 G HN 0.663 nan 8.290 nan 0.000 0.552 428 A N 1.050 123.818 122.820 -0.087 0.000 1.933 428 A HA 0.294 4.614 4.320 0.000 0.000 0.218 428 A C 2.805 180.343 177.584 -0.077 0.000 1.175 428 A CA 2.203 54.193 52.037 -0.078 0.000 0.628 428 A CB -0.708 18.251 19.000 -0.068 0.000 0.814 428 A HN 0.768 nan 8.150 nan 0.000 0.444 429 A N -0.201 122.576 122.820 -0.072 0.000 1.898 429 A HA -0.136 4.184 4.320 0.000 0.000 0.216 429 A C 2.240 179.743 177.584 -0.136 0.000 1.181 429 A CA 1.313 53.313 52.037 -0.062 0.000 0.620 429 A CB -0.464 18.517 19.000 -0.031 0.000 0.819 429 A HN 0.479 nan 8.150 nan 0.000 0.442 430 R N -0.438 119.979 120.500 -0.138 0.000 2.105 430 R HA -0.080 4.260 4.340 0.000 0.000 0.239 430 R C 2.054 178.235 176.300 -0.198 0.000 1.135 430 R CA 1.346 57.340 56.100 -0.177 0.000 0.967 430 R CB -0.737 29.483 30.300 -0.133 0.000 0.861 430 R HN 0.540 nan 8.270 nan 0.000 0.442 431 L N 0.287 121.419 121.223 -0.153 0.000 2.083 431 L HA -0.158 4.182 4.340 0.000 0.000 0.209 431 L C 2.718 179.494 176.870 -0.156 0.000 1.083 431 L CA 1.257 56.014 54.840 -0.138 0.000 0.752 431 L CB -0.622 41.374 42.059 -0.105 0.000 0.899 431 L HN 0.199 nan 8.230 nan 0.000 0.433 432 A N -0.380 122.341 122.820 -0.165 0.000 1.902 432 A HA -0.287 4.034 4.320 0.000 0.000 0.217 432 A C 2.269 179.654 177.584 -0.332 0.000 1.181 432 A CA 1.910 53.852 52.037 -0.159 0.000 0.623 432 A CB -0.545 18.420 19.000 -0.058 0.000 0.818 432 A HN 0.524 nan 8.150 nan 0.000 0.443 433 Q N -0.182 119.244 119.800 -0.624 0.000 2.079 433 Q HA -0.130 4.210 4.340 0.000 0.000 0.200 433 Q C 1.927 177.672 176.000 -0.424 0.000 0.974 433 Q CA 1.557 56.761 55.803 -0.998 0.000 0.840 433 Q CB -0.326 27.808 28.738 -1.006 0.000 0.898 433 Q HN 0.672 nan 8.270 nan 0.000 0.430 434 I N 1.192 121.595 120.570 -0.278 0.000 2.091 434 I HA -0.370 3.800 4.170 0.000 0.000 0.240 434 I C 2.485 178.533 176.117 -0.116 0.000 1.046 434 I CA 1.508 62.711 61.300 -0.163 0.000 1.306 434 I CB -0.653 37.265 38.000 -0.137 0.000 1.018 434 I HN 0.369 nan 8.210 nan 0.000 0.404 435 A N 0.338 123.094 122.820 -0.107 0.000 2.019 435 A HA -0.043 4.277 4.320 0.000 0.000 0.219 435 A C 2.287 179.852 177.584 -0.031 0.000 1.164 435 A CA 1.676 53.678 52.037 -0.059 0.000 0.644 435 A CB -0.629 18.341 19.000 -0.050 0.000 0.805 435 A HN 0.507 nan 8.150 nan 0.000 0.449 436 A N -0.890 121.909 122.820 -0.034 0.000 2.251 436 A HA 0.187 4.507 4.320 0.000 0.000 0.209 436 A C 0.548 178.153 177.584 0.035 0.000 1.187 436 A CA 0.457 52.518 52.037 0.039 0.000 0.823 436 A CB -0.366 18.733 19.000 0.164 0.000 0.846 436 A HN 0.543 nan 8.150 nan 0.000 0.486 437 N N -0.341 118.354 118.700 -0.009 0.000 2.642 437 N HA 0.222 4.962 4.740 0.000 0.000 0.308 437 N C -2.427 173.075 175.510 -0.013 0.000 1.914 437 N CA -1.101 51.947 53.050 -0.003 0.000 0.893 437 N CB 1.069 39.548 38.487 -0.012 0.000 1.322 437 N HN 0.056 nan 8.380 nan 0.000 0.490 438 P HA -0.247 nan 4.420 nan 0.000 0.218 438 P C 1.060 178.356 177.300 -0.006 0.000 1.146 438 P CA 1.318 64.414 63.100 -0.008 0.000 0.820 438 P CB 0.266 31.966 31.700 -0.001 0.000 0.778 439 E N 0.114 120.313 120.200 -0.002 0.000 2.204 439 E HA -0.079 4.272 4.350 0.000 0.000 0.194 439 E C 0.640 177.237 176.600 -0.006 0.000 0.989 439 E CA 0.921 57.320 56.400 -0.002 0.000 0.824 439 E CB -0.411 29.290 29.700 0.002 0.000 0.756 439 E HN 0.306 nan 8.360 nan 0.000 0.477 440 K N 1.617 122.011 120.400 -0.010 0.000 2.098 440 K HA 0.243 4.563 4.320 0.000 0.000 0.258 440 K C 0.093 176.681 176.600 -0.019 0.000 0.973 440 K CA -0.355 55.924 56.287 -0.014 0.000 0.898 440 K CB 1.581 34.071 32.500 -0.016 0.000 1.057 440 K HN 0.079 nan 8.250 nan 0.000 0.447 441 S N 1.794 117.483 115.700 -0.019 0.000 2.593 441 S HA 0.073 4.543 4.470 0.000 0.000 0.269 441 S C 1.338 175.920 174.600 -0.031 0.000 1.334 441 S CA -0.703 57.484 58.200 -0.022 0.000 1.015 441 S CB 0.651 63.840 63.200 -0.017 0.000 0.912 441 S HN 0.677 nan 8.310 nan 0.000 0.541 442 L N 1.026 122.228 121.223 -0.035 0.000 2.079 442 L HA -0.074 4.266 4.340 0.000 0.000 0.210 442 L C 2.124 178.967 176.870 -0.046 0.000 1.081 442 L CA 1.555 56.367 54.840 -0.047 0.000 0.752 442 L CB -0.340 41.689 42.059 -0.050 0.000 0.896 442 L HN 0.790 nan 8.230 nan 0.000 0.433 443 I N -0.229 120.320 120.570 -0.034 0.000 2.830 443 I HA -0.212 3.958 4.170 0.000 0.000 0.263 443 I C 1.607 177.707 176.117 -0.028 0.000 1.230 443 I CA 1.027 62.309 61.300 -0.030 0.000 1.480 443 I CB -0.121 37.867 38.000 -0.020 0.000 1.095 443 I HN 0.371 nan 8.210 nan 0.000 0.455 444 E N 0.090 120.273 120.200 -0.028 0.000 2.489 444 E HA 0.031 4.382 4.350 0.000 0.000 0.193 444 E C 1.218 177.798 176.600 -0.035 0.000 1.057 444 E CA 0.166 56.550 56.400 -0.027 0.000 0.866 444 E CB 0.428 30.115 29.700 -0.021 0.000 0.916 444 E HN 0.435 nan 8.360 nan 0.000 0.500 445 L N 0.350 121.546 121.223 -0.046 0.000 3.069 445 L HA 0.245 4.585 4.340 0.000 0.000 0.271 445 L C 0.012 176.839 176.870 -0.072 0.000 1.201 445 L CA 0.039 54.842 54.840 -0.062 0.000 1.015 445 L CB 0.812 42.828 42.059 -0.072 0.000 1.371 445 L HN 0.031 nan 8.230 nan 0.000 0.574 446 L N 1.444 122.631 121.223 -0.060 0.000 2.709 446 L HA 0.366 4.706 4.340 0.000 0.000 0.236 446 L C -2.161 174.679 176.870 -0.051 0.000 1.266 446 L CA -1.443 53.359 54.840 -0.064 0.000 0.987 446 L CB 0.485 42.505 42.059 -0.065 0.000 1.306 446 L HN -0.076 nan 8.230 nan 0.000 0.467 447 P HA 0.088 nan 4.420 nan 0.000 0.268 447 P C -0.443 176.832 177.300 -0.041 0.000 1.204 447 P CA -0.059 63.016 63.100 -0.042 0.000 0.768 447 P CB 0.629 32.303 31.700 -0.043 0.000 0.842 448 Q N 1.262 121.042 119.800 -0.033 0.000 2.306 448 Q HA 0.311 4.652 4.340 0.000 0.000 0.241 448 Q C -0.188 175.789 176.000 -0.038 0.000 0.948 448 Q CA -0.477 55.307 55.803 -0.032 0.000 0.886 448 Q CB 0.487 29.212 28.738 -0.021 0.000 1.227 448 Q HN 0.381 nan 8.270 nan 0.000 0.457 449 L N 3.735 124.930 121.223 -0.045 0.000 2.467 449 L HA 0.216 4.556 4.340 0.000 0.000 0.270 449 L C -1.982 174.857 176.870 -0.052 0.000 1.205 449 L CA -1.830 52.977 54.840 -0.055 0.000 0.828 449 L CB 0.016 42.031 42.059 -0.072 0.000 1.101 449 L HN 0.477 nan 8.230 nan 0.000 0.479 450 P HA -0.009 nan 4.420 nan 0.000 0.265 450 P C -0.554 176.714 177.300 -0.054 0.000 1.193 450 P CA -0.109 62.963 63.100 -0.047 0.000 0.765 450 P CB 0.416 32.089 31.700 -0.046 0.000 0.823 451 L N 3.970 125.172 121.223 -0.035 0.000 2.385 451 L HA 0.062 4.402 4.340 0.000 0.000 0.281 451 L C 1.292 178.151 176.870 -0.019 0.000 1.106 451 L CA 0.484 55.309 54.840 -0.025 0.000 0.856 451 L CB 0.356 42.408 42.059 -0.012 0.000 1.186 451 L HN 0.577 nan 8.230 nan 0.000 0.453 452 E N 3.691 123.881 120.200 -0.017 0.000 2.127 452 E HA 0.003 4.353 4.350 0.000 0.000 0.191 452 E C 0.161 176.803 176.600 0.071 0.000 0.964 452 E CA 0.209 56.620 56.400 0.017 0.000 0.832 452 E CB 0.614 30.308 29.700 -0.011 0.000 0.790 452 E HN 0.732 nan 8.360 nan 0.000 0.465 453 Q N 0.016 119.885 119.800 0.114 0.000 2.391 453 Q HA 0.320 4.660 4.340 0.000 0.000 0.279 453 Q C -1.904 174.092 176.000 -0.007 0.000 1.028 453 Q CA -0.612 55.210 55.803 0.031 0.000 0.836 453 Q CB 2.253 31.011 28.738 0.033 0.000 1.414 453 Q HN 0.036 nan 8.270 nan 0.000 0.397 454 S N 1.538 117.143 115.700 -0.157 0.000 2.500 454 S HA 0.529 4.999 4.470 0.000 0.000 0.301 454 S C -1.643 172.783 174.600 -0.291 0.000 1.092 454 S CA -0.465 57.666 58.200 -0.116 0.000 1.030 454 S CB 0.711 63.879 63.200 -0.054 0.000 1.031 454 S HN 0.610 nan 8.310 nan 0.000 0.483 455 H N 4.700 123.773 119.070 0.005 0.000 2.762 455 H HA 0.377 4.933 4.556 0.000 0.000 0.310 455 H C -0.777 174.537 175.328 -0.024 0.000 1.004 455 H CA -0.373 55.666 56.048 -0.015 0.000 1.267 455 H CB 0.909 30.649 29.762 -0.038 0.000 1.437 455 H HN 0.402 nan 8.280 nan 0.000 0.498 456 L N 5.310 126.567 121.223 0.056 0.000 2.375 456 L HA 0.301 4.641 4.340 0.000 0.000 0.271 456 L C -1.857 175.030 176.870 0.028 0.000 1.107 456 L CA -1.811 53.044 54.840 0.024 0.000 0.806 456 L CB 0.626 42.685 42.059 -0.000 0.000 1.146 456 L HN 0.388 nan 8.230 nan 0.000 0.447 457 P HA 0.054 nan 4.420 nan 0.000 0.276 457 P C -1.182 176.133 177.300 0.025 0.000 1.230 457 P CA -0.332 62.771 63.100 0.005 0.000 0.776 457 P CB 0.774 32.436 31.700 -0.064 0.000 0.888 458 D N 1.808 122.248 120.400 0.067 0.000 2.348 458 D HA 0.280 4.920 4.640 0.000 0.000 0.253 458 D C 1.349 177.716 176.300 0.111 0.000 1.161 458 D CA -0.273 53.771 54.000 0.074 0.000 0.876 458 D CB 0.824 41.670 40.800 0.077 0.000 1.160 458 D HN 0.291 nan 8.370 nan 0.000 0.459 459 A N 3.955 126.826 122.820 0.084 0.000 1.898 459 A HA -0.203 4.118 4.320 0.000 0.000 0.216 459 A C 1.944 179.620 177.584 0.154 0.000 1.181 459 A CA 1.021 53.126 52.037 0.114 0.000 0.620 459 A CB -0.566 18.472 19.000 0.064 0.000 0.819 459 A HN 0.749 nan 8.150 nan 0.000 0.442 460 Q N -0.426 119.431 119.800 0.095 0.000 2.050 460 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 460 Q C 2.181 178.215 176.000 0.057 0.000 0.980 460 Q CA 1.303 57.145 55.803 0.066 0.000 0.840 460 Q CB -0.280 28.478 28.738 0.034 0.000 0.898 460 Q HN 0.489 nan 8.270 nan 0.000 0.424 461 R N -0.259 120.283 120.500 0.070 0.000 2.075 461 R HA -0.144 4.197 4.340 0.000 0.000 0.232 461 R C 2.190 178.573 176.300 0.139 0.000 1.126 461 R CA 1.280 57.401 56.100 0.035 0.000 0.963 461 R CB -1.024 29.322 30.300 0.078 0.000 0.858 461 R HN 0.415 nan 8.270 nan 0.000 0.435 462 Y N 1.207 121.577 120.300 0.116 0.000 2.165 462 Y HA -0.251 4.299 4.550 0.000 0.000 0.286 462 Y C 2.171 178.144 175.900 0.123 0.000 1.155 462 Y CA 1.745 59.935 58.100 0.150 0.000 1.164 462 Y CB -0.319 38.193 38.460 0.087 0.000 0.978 462 Y HN 0.077 nan 8.280 nan 0.000 0.513 463 A N 0.370 123.214 122.820 0.039 0.000 1.930 463 A HA -0.017 4.303 4.320 0.000 0.000 0.217 463 A C 2.355 179.889 177.584 -0.084 0.000 1.175 463 A CA 1.520 53.524 52.037 -0.056 0.000 0.627 463 A CB -1.374 17.657 19.000 0.052 0.000 0.815 463 A HN 0.608 nan 8.150 nan 0.000 0.443 464 A N -2.002 120.772 122.820 -0.075 0.000 2.066 464 A HA -0.005 4.315 4.320 0.000 0.000 0.218 464 A C 1.967 179.483 177.584 -0.114 0.000 1.157 464 A CA 1.118 53.086 52.037 -0.114 0.000 0.670 464 A CB -0.649 18.244 19.000 -0.177 0.000 0.804 464 A HN 0.645 nan 8.150 nan 0.000 0.453 465 Y N -0.613 119.641 120.300 -0.077 0.000 2.420 465 Y HA -0.122 4.428 4.550 0.000 0.000 0.292 465 Y C 2.774 178.600 175.900 -0.123 0.000 1.119 465 Y CA 0.684 58.755 58.100 -0.049 0.000 1.229 465 Y CB 0.191 38.647 38.460 -0.006 0.000 1.026 465 Y HN 0.293 nan 8.280 nan 0.000 0.554 466 Q N 0.159 119.908 119.800 -0.083 0.000 2.061 466 Q HA -0.166 4.174 4.340 0.000 0.000 0.204 466 Q C -0.628 175.343 176.000 -0.049 0.000 0.984 466 Q CA 1.608 57.327 55.803 -0.140 0.000 0.846 466 Q CB -1.745 26.857 28.738 -0.227 0.000 0.902 466 Q HN 0.409 nan 8.270 nan 0.000 0.421 467 P HA -0.096 nan 4.420 nan 0.000 0.217 467 P C 1.074 178.432 177.300 0.097 0.000 1.150 467 P CA 1.258 64.376 63.100 0.029 0.000 0.832 467 P CB -0.152 31.574 31.700 0.043 0.000 0.787 468 R N -0.612 119.991 120.500 0.172 0.000 2.120 468 R HA -0.046 4.295 4.340 0.000 0.000 0.234 468 R C 2.442 178.808 176.300 0.110 0.000 1.123 468 R CA 1.065 57.391 56.100 0.378 0.000 0.975 468 R CB -0.338 30.140 30.300 0.297 0.000 0.866 468 R HN 0.161 nan 8.270 nan 0.000 0.446 469 R N 0.701 121.116 120.500 -0.141 0.000 2.092 469 R HA -0.110 4.230 4.340 0.000 0.000 0.231 469 R C 1.969 178.233 176.300 -0.061 0.000 1.119 469 R CA 1.320 57.276 56.100 -0.239 0.000 0.970 469 R CB -0.100 30.093 30.300 -0.178 0.000 0.864 469 R HN 0.411 nan 8.270 nan 0.000 0.440 470 E N -0.285 119.885 120.200 -0.050 0.000 2.058 470 E HA -0.152 4.198 4.350 0.000 0.000 0.194 470 E C 1.933 178.462 176.600 -0.117 0.000 0.997 470 E CA 1.800 58.165 56.400 -0.059 0.000 0.801 470 E CB -0.157 29.513 29.700 -0.050 0.000 0.746 470 E HN 0.242 nan 8.360 nan 0.000 0.450 471 T N 1.125 115.574 114.554 -0.176 0.000 2.708 471 T HA -0.192 4.158 4.350 0.000 0.000 0.266 471 T C 1.521 175.933 174.700 -0.479 0.000 1.037 471 T CA 1.282 63.112 62.100 -0.451 0.000 1.146 471 T CB -0.486 67.880 68.868 -0.836 0.000 0.865 471 T HN 0.186 nan 8.240 nan 0.000 0.435 472 F N 2.006 121.727 119.950 -0.381 0.000 2.087 472 F HA -0.202 4.325 4.527 0.000 0.000 0.299 472 F C 2.527 178.247 175.800 -0.133 0.000 1.100 472 F CA 1.593 59.496 58.000 -0.161 0.000 1.226 472 F CB -0.213 38.719 39.000 -0.114 0.000 0.983 472 F HN -0.081 nan 8.300 nan 0.000 0.479 473 R N -0.046 120.396 120.500 -0.098 0.000 2.073 473 R HA -0.172 4.168 4.340 0.000 0.000 0.234 473 R C 2.562 178.747 176.300 -0.190 0.000 1.134 473 R CA 1.781 57.794 56.100 -0.145 0.000 0.952 473 R CB -0.439 29.845 30.300 -0.026 0.000 0.850 473 R HN 0.303 nan 8.270 nan 0.000 0.433 474 R N 0.437 120.813 120.500 -0.206 0.000 2.083 474 R HA -0.154 4.186 4.340 0.000 0.000 0.237 474 R C 2.050 178.188 176.300 -0.269 0.000 1.137 474 R CA 1.659 57.631 56.100 -0.213 0.000 0.951 474 R CB -0.312 29.850 30.300 -0.230 0.000 0.851 474 R HN 0.222 nan 8.270 nan 0.000 0.434 475 L N -0.726 120.263 121.223 -0.390 0.000 2.044 475 L HA -0.165 4.175 4.340 0.000 0.000 0.205 475 L C 2.412 179.094 176.870 -0.313 0.000 1.075 475 L CA 1.272 55.845 54.840 -0.444 0.000 0.747 475 L CB -0.708 40.970 42.059 -0.635 0.000 0.903 475 L HN 0.253 nan 8.230 nan 0.000 0.435 476 Y N 1.053 121.049 120.300 -0.508 0.000 2.114 476 Y HA -0.378 4.172 4.550 0.000 0.000 0.282 476 Y C 2.753 178.551 175.900 -0.170 0.000 1.165 476 Y CA 2.003 59.851 58.100 -0.421 0.000 1.148 476 Y CB -0.150 37.877 38.460 -0.721 0.000 0.972 476 Y HN 0.185 nan 8.280 nan 0.000 0.504 477 Q N -0.791 118.990 119.800 -0.032 0.000 2.079 477 Q HA -0.228 4.112 4.340 0.000 0.000 0.200 477 Q C 2.314 178.252 176.000 -0.103 0.000 0.974 477 Q CA 1.550 57.335 55.803 -0.030 0.000 0.840 477 Q CB -0.125 28.601 28.738 -0.021 0.000 0.898 477 Q HN 0.484 nan 8.270 nan 0.000 0.430 478 Q N 0.127 119.846 119.800 -0.135 0.000 2.119 478 Q HA -0.072 4.268 4.340 0.000 0.000 0.201 478 Q C 1.979 177.902 176.000 -0.129 0.000 0.972 478 Q CA 1.090 56.815 55.803 -0.129 0.000 0.847 478 Q CB 0.065 28.714 28.738 -0.148 0.000 0.903 478 Q HN 0.432 nan 8.270 nan 0.000 0.433 479 L N 0.258 121.392 121.223 -0.149 0.000 2.509 479 L HA 0.012 4.352 4.340 0.000 0.000 0.222 479 L C 2.150 178.863 176.870 -0.261 0.000 1.123 479 L CA -0.097 54.654 54.840 -0.148 0.000 0.856 479 L CB -0.380 41.630 42.059 -0.082 0.000 0.985 479 L HN 0.176 nan 8.230 nan 0.000 0.456 480 L N 2.750 123.802 121.223 -0.285 0.000 1.990 480 L HA -0.119 4.221 4.340 0.000 0.000 0.213 480 L C -0.299 176.378 176.870 -0.322 0.000 1.072 480 L CA 2.543 57.148 54.840 -0.391 0.000 0.755 480 L CB -1.881 40.025 42.059 -0.256 0.000 0.889 480 L HN 0.188 nan 8.230 nan 0.000 0.432 481 P HA -0.121 nan 4.420 nan 0.000 0.230 481 P C 2.005 179.212 177.300 -0.154 0.000 1.158 481 P CA 0.659 63.670 63.100 -0.149 0.000 0.769 481 P CB 0.055 31.694 31.700 -0.101 0.000 0.807 482 L N -1.280 119.832 121.223 -0.185 0.000 2.209 482 L HA 0.093 4.433 4.340 0.000 0.000 0.207 482 L C 1.689 178.438 176.870 -0.201 0.000 1.094 482 L CA 1.380 56.127 54.840 -0.156 0.000 0.790 482 L CB -1.062 40.921 42.059 -0.126 0.000 0.932 482 L HN 0.047 nan 8.230 nan 0.000 0.447 483 M N -0.200 119.196 119.600 -0.341 0.000 3.443 483 M HA 0.439 4.919 4.480 0.000 0.000 0.228 483 M C 0.013 176.116 176.300 -0.327 0.000 1.227 483 M CA -0.044 55.011 55.300 -0.407 0.000 1.321 483 M CB -0.523 31.585 32.600 -0.820 0.000 1.134 483 M HN 0.113 nan 8.290 nan 0.000 0.567 484 A N 0.000 122.699 122.820 -0.202 0.000 2.254 484 A HA 0.000 4.320 4.320 0.000 0.000 0.244 484 A CA 0.000 51.951 52.037 -0.143 0.000 0.836 484 A CB 0.000 18.908 19.000 -0.154 0.000 0.831 484 A HN 0.000 nan 8.150 nan 0.000 0.486