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 1gki_1_B DATA FIRST_RESID 73 DATA SEQUENCE SVGQGEFGGA PFKRFLRGTR IVSGGKLKRM TREKAKQVTV AGVPMPRDAE DATA SEQUENCE PRHLLVNGAT GTGKSVLLRE LAYTGLLRGD RMVIVDPNGD MLSKFGRDKD DATA SEQUENCE IILNPYDQRT KGWSFFNEIR NDYDWQRYAL SVVPRGKTDE AEEWASYGRL DATA SEQUENCE LLRETAKKLA LIGTPSMREL FHWTTIATFD DLRGFLEGTL AESLFAGSNE DATA SEQUENCE ASKALTSARF VLSDKLPEHV TMPDGDFSIR SWLEDPNGGN LFITWREDMG DATA SEQUENCE PALRPLISAW VDVVCTSILS LPEEPKRRLW LFIDELASLE KLASLADALT DATA SEQUENCE KGRKAGLRVV AGLQSTSQLD DVYGVKEAQT LRASFRSLVV LGGSRTDPKT DATA SEQUENCE NEDMSLSLGE HEVERDRXXX XXXXXXXXXX XXERVRERVV MPAEIANLPD DATA SEQUENCE LTAYVGFAGN RPIAKVPLEI KQFANRQPAF VE 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 73 S HA 0.000 nan 4.470 nan 0.000 0.327 73 S C 0.000 174.504 174.600 -0.160 0.000 1.055 73 S CA 0.000 58.149 58.200 -0.085 0.000 1.107 73 S CB 0.000 63.159 63.200 -0.069 0.000 0.593 74 V N 0.673 120.387 119.914 -0.334 0.000 2.919 74 V HA 0.806 4.926 4.120 0.000 0.000 0.316 74 V C 0.864 176.600 176.094 -0.597 0.000 1.077 74 V CA 0.193 62.172 62.300 -0.535 0.000 0.977 74 V CB 0.673 31.965 31.823 -0.885 0.000 1.039 74 V HN 1.929 nan 8.190 nan 0.000 0.441 75 G N 2.083 110.709 108.800 -0.290 0.000 2.248 75 G HA2 -0.165 3.795 3.960 0.000 0.000 0.252 75 G HA3 -0.165 3.795 3.960 0.000 0.000 0.252 75 G C -0.271 174.748 174.900 0.198 0.000 1.085 75 G CA -0.154 45.046 45.100 0.167 0.000 0.845 75 G HN 0.677 nan 8.290 nan 0.000 0.494 76 Q N -0.923 118.926 119.800 0.082 0.000 2.330 76 Q HA 0.545 4.885 4.340 0.000 0.000 0.269 76 Q C 1.118 177.152 176.000 0.057 0.000 1.022 76 Q CA -0.424 55.415 55.803 0.061 0.000 0.796 76 Q CB 1.874 30.624 28.738 0.021 0.000 1.271 76 Q HN 1.400 nan 8.270 nan 0.000 0.450 77 G N 2.264 111.096 108.800 0.054 0.000 2.189 77 G HA2 -0.338 3.622 3.960 0.000 0.000 0.267 77 G HA3 -0.338 3.622 3.960 0.000 0.000 0.267 77 G C 0.585 175.527 174.900 0.070 0.000 0.975 77 G CA 0.968 46.094 45.100 0.044 0.000 0.644 77 G HN 0.650 nan 8.290 nan 0.000 0.537 78 E N -1.636 118.635 120.200 0.119 0.000 2.476 78 E HA 0.325 4.675 4.350 0.000 0.000 0.193 78 E C 0.205 176.974 176.600 0.282 0.000 0.966 78 E CA -0.460 56.043 56.400 0.173 0.000 1.114 78 E CB 0.436 30.239 29.700 0.171 0.000 1.151 78 E HN 0.316 nan 8.360 nan 0.000 0.487 79 F N 1.477 121.527 119.950 0.167 0.000 2.411 79 F HA 0.409 4.936 4.527 -0.000 0.000 0.350 79 F C 1.051 176.951 175.800 0.166 0.000 1.114 79 F CA -0.592 57.538 58.000 0.216 0.000 1.135 79 F CB 1.473 40.701 39.000 0.380 0.000 1.120 79 F HN 0.028 nan 8.300 nan 0.000 0.495 80 G N 4.242 112.826 108.800 -0.360 0.000 2.443 80 G HA2 0.050 4.010 3.960 0.000 0.000 0.219 80 G HA3 0.050 4.010 3.960 0.000 0.000 0.219 80 G C 0.860 175.366 174.900 -0.657 0.000 1.131 80 G CA 0.480 45.343 45.100 -0.396 0.000 0.775 80 G HN 0.973 nan 8.290 nan 0.000 0.547 81 G N -0.151 107.717 108.800 -1.554 0.000 2.489 81 G HA2 0.497 4.457 3.960 0.000 0.000 0.271 81 G HA3 0.497 4.457 3.960 0.000 0.000 0.271 81 G C 0.293 174.994 174.900 -0.331 0.000 1.427 81 G CA 0.075 44.628 45.100 -0.913 0.000 1.057 81 G HN 0.572 nan 8.290 nan 0.000 0.532 82 A N 0.211 123.075 122.820 0.072 0.000 2.477 82 A HA 0.544 4.864 4.320 0.000 0.000 0.246 82 A C -2.003 175.832 177.584 0.418 0.000 1.078 82 A CA -0.744 51.411 52.037 0.196 0.000 0.770 82 A CB -0.145 18.963 19.000 0.182 0.000 1.011 82 A HN 0.408 nan 8.150 nan 0.000 0.494 83 P HA 0.307 nan 4.420 nan 0.000 0.268 83 P C -0.685 176.810 177.300 0.325 0.000 1.208 83 P CA 0.394 63.658 63.100 0.273 0.000 0.777 83 P CB 0.220 31.976 31.700 0.093 0.000 0.875 84 F N -0.443 119.594 119.950 0.145 0.000 2.611 84 F HA 0.622 5.149 4.527 0.000 0.000 0.324 84 F C 1.214 177.042 175.800 0.047 0.000 1.061 84 F CA -1.231 56.813 58.000 0.074 0.000 0.954 84 F CB 1.130 40.140 39.000 0.017 0.000 1.301 84 F HN 0.144 nan 8.300 nan 0.000 0.482 85 K N 0.436 120.956 120.400 0.199 0.000 2.044 85 K HA 0.140 4.460 4.320 0.000 0.000 0.204 85 K C 0.106 176.787 176.600 0.135 0.000 1.049 85 K CA 0.796 57.140 56.287 0.095 0.000 0.945 85 K CB 0.198 32.748 32.500 0.084 0.000 0.724 85 K HN 0.820 nan 8.250 nan 0.000 0.440 86 R N -0.138 120.521 120.500 0.265 0.000 2.673 86 R HA 0.176 4.516 4.340 0.000 0.000 0.281 86 R C -1.791 174.704 176.300 0.326 0.000 0.991 86 R CA -0.679 55.575 56.100 0.258 0.000 0.896 86 R CB 1.140 31.512 30.300 0.121 0.000 1.201 86 R HN 0.008 nan 8.270 nan 0.000 0.457 87 F N 5.071 125.133 119.950 0.186 0.000 2.404 87 F HA 0.310 4.837 4.527 0.000 0.000 0.345 87 F C -0.138 175.622 175.800 -0.067 0.000 1.110 87 F CA -0.361 57.637 58.000 -0.003 0.000 1.130 87 F CB 0.886 39.951 39.000 0.108 0.000 1.129 87 F HN 0.520 nan 8.300 nan 0.000 0.500 88 L N 4.088 124.847 121.223 -0.773 0.000 2.379 88 L HA 0.340 4.680 4.340 0.000 0.000 0.190 88 L C 0.014 176.565 176.870 -0.532 0.000 1.111 88 L CA 0.043 54.596 54.840 -0.478 0.000 0.820 88 L CB -0.056 41.781 42.059 -0.369 0.000 1.046 88 L HN 0.622 nan 8.230 nan 0.000 0.485 89 R N -1.717 118.270 120.500 -0.854 0.000 2.762 89 R HA 0.708 5.048 4.340 0.000 0.000 0.271 89 R C -0.494 175.589 176.300 -0.362 0.000 1.038 89 R CA -0.323 55.538 56.100 -0.398 0.000 0.906 89 R CB 0.427 30.631 30.300 -0.159 0.000 1.259 89 R HN 0.167 nan 8.270 nan 0.000 0.457 90 G N -0.249 108.561 108.800 0.017 0.000 2.548 90 G HA2 -0.124 3.836 3.960 0.000 0.000 0.208 90 G HA3 -0.124 3.836 3.960 0.000 0.000 0.208 90 G C -0.947 174.113 174.900 0.267 0.000 1.308 90 G CA -0.463 44.692 45.100 0.092 0.000 0.924 90 G HN 0.695 nan 8.290 nan 0.000 0.540 91 T N 2.399 117.070 114.554 0.195 0.000 2.834 91 T HA 0.456 4.806 4.350 0.000 0.000 0.298 91 T C 0.823 175.699 174.700 0.292 0.000 0.966 91 T CA 0.177 62.387 62.100 0.183 0.000 1.141 91 T CB 0.268 69.183 68.868 0.079 0.000 0.905 91 T HN 0.554 nan 8.240 nan 0.000 0.535 92 R N 3.010 123.615 120.500 0.176 0.000 2.254 92 R HA 0.492 4.832 4.340 0.000 0.000 0.318 92 R C -0.281 176.068 176.300 0.082 0.000 1.031 92 R CA -0.549 55.573 56.100 0.036 0.000 0.905 92 R CB 1.376 31.561 30.300 -0.192 0.000 1.050 92 R HN 0.592 nan 8.270 nan 0.000 0.456 93 I N 2.903 123.558 120.570 0.140 0.000 2.460 93 I HA 0.385 4.555 4.170 0.000 0.000 0.298 93 I C -0.843 175.359 176.117 0.142 0.000 0.989 93 I CA -0.852 60.549 61.300 0.169 0.000 1.173 93 I CB 1.613 39.770 38.000 0.261 0.000 1.338 93 I HN 0.248 nan 8.210 nan 0.000 0.456 94 V N 5.395 125.379 119.914 0.117 0.000 3.102 94 V HA 0.451 4.571 4.120 0.000 0.000 0.312 94 V C -0.201 175.944 176.094 0.085 0.000 1.135 94 V CA -0.497 61.854 62.300 0.085 0.000 1.022 94 V CB 2.679 34.534 31.823 0.053 0.000 1.056 94 V HN 0.885 nan 8.190 nan 0.000 0.436 95 S N 1.597 117.335 115.700 0.064 0.000 2.585 95 S HA 0.286 4.756 4.470 0.000 0.000 0.273 95 S C 1.379 176.003 174.600 0.041 0.000 1.339 95 S CA 0.243 58.473 58.200 0.050 0.000 1.028 95 S CB 1.206 64.428 63.200 0.037 0.000 0.906 95 S HN 1.295 nan 8.310 nan 0.000 0.528 96 G N 1.968 110.784 108.800 0.027 0.000 2.553 96 G HA2 -0.145 3.815 3.960 0.000 0.000 0.218 96 G HA3 -0.145 3.815 3.960 0.000 0.000 0.218 96 G C 1.415 176.336 174.900 0.036 0.000 1.195 96 G CA 0.797 45.911 45.100 0.024 0.000 0.779 96 G HN 1.094 nan 8.290 nan 0.000 0.577 97 G N 0.432 109.250 108.800 0.029 0.000 2.440 97 G HA2 -0.243 3.717 3.960 0.000 0.000 0.218 97 G HA3 -0.243 3.717 3.960 0.000 0.000 0.218 97 G C 1.739 176.660 174.900 0.035 0.000 1.154 97 G CA 1.422 46.541 45.100 0.031 0.000 0.767 97 G HN 0.560 nan 8.290 nan 0.000 0.552 98 K N -0.418 120.003 120.400 0.034 0.000 2.097 98 K HA -0.018 4.302 4.320 0.000 0.000 0.206 98 K C 2.332 178.960 176.600 0.047 0.000 1.049 98 K CA 1.055 57.363 56.287 0.034 0.000 0.933 98 K CB -0.282 32.236 32.500 0.030 0.000 0.717 98 K HN 0.257 nan 8.250 nan 0.000 0.442 99 L N 1.420 122.680 121.223 0.062 0.000 2.027 99 L HA -0.116 4.224 4.340 0.000 0.000 0.206 99 L C 1.701 178.633 176.870 0.103 0.000 1.074 99 L CA 1.787 56.682 54.840 0.092 0.000 0.745 99 L CB -0.403 41.723 42.059 0.112 0.000 0.898 99 L HN 0.068 nan 8.230 nan 0.000 0.433 100 K N -0.608 119.847 120.400 0.092 0.000 2.059 100 K HA -0.255 4.065 4.320 0.000 0.000 0.212 100 K C 2.193 178.828 176.600 0.060 0.000 1.050 100 K CA 2.244 58.582 56.287 0.085 0.000 0.927 100 K CB -0.245 32.295 32.500 0.066 0.000 0.714 100 K HN 0.282 nan 8.250 nan 0.000 0.447 101 R N 0.319 120.846 120.500 0.045 0.000 2.066 101 R HA 0.021 4.361 4.340 0.000 0.000 0.232 101 R C 2.381 178.698 176.300 0.028 0.000 1.131 101 R CA 1.475 57.593 56.100 0.031 0.000 0.955 101 R CB -0.177 30.138 30.300 0.025 0.000 0.851 101 R HN 0.178 nan 8.270 nan 0.000 0.432 102 M N 0.050 119.672 119.600 0.036 0.000 2.159 102 M HA -0.121 4.359 4.480 0.000 0.000 0.263 102 M C 1.869 178.184 176.300 0.026 0.000 1.063 102 M CA 2.044 57.363 55.300 0.031 0.000 1.110 102 M CB -0.445 32.179 32.600 0.040 0.000 1.374 102 M HN 0.277 nan 8.290 nan 0.000 0.411 103 T N -2.353 112.223 114.554 0.037 0.000 3.081 103 T HA 0.100 4.450 4.350 0.000 0.000 0.250 103 T C 0.810 175.495 174.700 -0.025 0.000 1.100 103 T CA -0.338 61.762 62.100 -0.001 0.000 1.038 103 T CB -0.167 68.703 68.868 0.002 0.000 0.962 103 T HN 0.281 nan 8.240 nan 0.000 0.516 104 R N 1.434 121.934 120.500 0.000 0.000 2.570 104 R HA 0.220 4.560 4.340 0.000 0.000 0.277 104 R C -0.385 175.906 176.300 -0.015 0.000 1.039 104 R CA 0.333 56.431 56.100 -0.003 0.000 1.065 104 R CB 0.331 30.637 30.300 0.009 0.000 0.964 104 R HN 0.443 nan 8.270 nan 0.000 0.428 105 E N 2.035 122.224 120.200 -0.019 0.000 2.378 105 E HA 0.179 4.529 4.350 0.000 0.000 0.265 105 E C 0.130 176.722 176.600 -0.014 0.000 0.932 105 E CA -0.975 55.412 56.400 -0.021 0.000 0.795 105 E CB 1.766 31.446 29.700 -0.033 0.000 1.296 105 E HN 0.551 nan 8.360 nan 0.000 0.438 106 K N 0.138 120.529 120.400 -0.014 0.000 1.985 106 K HA -0.013 4.307 4.320 0.000 0.000 0.210 106 K C 1.048 177.643 176.600 -0.009 0.000 1.047 106 K CA 0.919 57.200 56.287 -0.010 0.000 0.932 106 K CB -0.447 32.046 32.500 -0.011 0.000 0.716 106 K HN 0.416 nan 8.250 nan 0.000 0.439 107 A N 2.247 125.060 122.820 -0.012 0.000 2.346 107 A HA 0.070 4.390 4.320 0.000 0.000 0.255 107 A C -0.021 177.559 177.584 -0.006 0.000 1.113 107 A CA -0.169 51.862 52.037 -0.009 0.000 0.798 107 A CB 0.071 19.064 19.000 -0.012 0.000 1.073 107 A HN 0.198 nan 8.150 nan 0.000 0.502 108 K N 0.555 120.954 120.400 -0.002 0.000 2.401 108 K HA 0.223 4.543 4.320 0.000 0.000 0.278 108 K C -0.138 176.467 176.600 0.009 0.000 1.018 108 K CA 0.437 56.725 56.287 0.000 0.000 0.981 108 K CB 0.393 32.892 32.500 -0.001 0.000 0.933 108 K HN 0.728 nan 8.250 nan 0.000 0.477 109 Q N 0.505 120.310 119.800 0.009 0.000 2.496 109 Q HA 0.471 4.811 4.340 0.000 0.000 0.286 109 Q C -0.757 175.260 176.000 0.027 0.000 1.103 109 Q CA -1.116 54.701 55.803 0.022 0.000 0.813 109 Q CB 2.095 30.835 28.738 0.003 0.000 1.444 109 Q HN 0.430 nan 8.270 nan 0.000 0.443 110 V N -2.101 117.846 119.914 0.055 0.000 2.975 110 V HA 0.821 4.941 4.120 0.000 0.000 0.318 110 V C -0.183 175.946 176.094 0.059 0.000 1.077 110 V CA -0.742 61.576 62.300 0.030 0.000 1.000 110 V CB 1.452 33.285 31.823 0.017 0.000 1.066 110 V HN 0.926 nan 8.190 nan 0.000 0.452 111 T N -0.707 113.884 114.554 0.062 0.000 2.885 111 T HA 0.756 5.106 4.350 0.000 0.000 0.285 111 T C -0.700 174.092 174.700 0.153 0.000 1.019 111 T CA -0.693 61.478 62.100 0.118 0.000 1.010 111 T CB 1.575 70.506 68.868 0.104 0.000 1.022 111 T HN 0.768 nan 8.240 nan 0.000 0.466 112 V N 2.466 122.514 119.914 0.224 0.000 2.304 112 V HA 0.646 4.766 4.120 0.000 0.000 0.278 112 V C 0.831 177.004 176.094 0.132 0.000 1.018 112 V CA -0.220 62.201 62.300 0.202 0.000 0.814 112 V CB -0.052 31.942 31.823 0.284 0.000 1.021 112 V HN 1.587 nan 8.190 nan 0.000 0.440 113 A N 4.026 126.904 122.820 0.096 0.000 2.791 113 A HA 0.027 4.347 4.320 0.000 0.000 0.292 113 A C 1.729 179.355 177.584 0.070 0.000 1.487 113 A CA 1.256 53.331 52.037 0.064 0.000 0.760 113 A CB -1.544 17.473 19.000 0.027 0.000 1.031 113 A HN 2.552 nan 8.150 nan 0.000 0.503 114 G N -3.627 105.227 108.800 0.090 0.000 2.184 114 G HA2 -0.021 3.939 3.960 0.000 0.000 0.264 114 G HA3 -0.021 3.939 3.960 0.000 0.000 0.264 114 G C 0.327 175.288 174.900 0.102 0.000 0.975 114 G CA 0.584 45.735 45.100 0.085 0.000 0.642 114 G HN 1.903 nan 8.290 nan 0.000 0.536 115 V N 2.988 122.989 119.914 0.146 0.000 2.370 115 V HA 0.454 4.574 4.120 0.000 0.000 0.279 115 V C -1.493 174.740 176.094 0.233 0.000 1.029 115 V CA -1.716 60.705 62.300 0.202 0.000 0.870 115 V CB 1.676 33.665 31.823 0.276 0.000 0.984 115 V HN 0.200 nan 8.190 nan 0.000 0.451 116 P HA 0.038 nan 4.420 nan 0.000 0.267 116 P C -0.392 176.889 177.300 -0.032 0.000 1.209 116 P CA -0.040 63.099 63.100 0.065 0.000 0.763 116 P CB 0.664 32.381 31.700 0.028 0.000 0.816 117 M N 6.239 125.789 119.600 -0.084 0.000 2.162 117 M HA 0.318 4.798 4.480 0.000 0.000 0.356 117 M C -2.391 173.679 176.300 -0.383 0.000 1.303 117 M CA -2.261 52.783 55.300 -0.427 0.000 1.116 117 M CB 0.809 33.359 32.600 -0.084 0.000 1.632 117 M HN 0.078 nan 8.290 nan 0.000 0.469 118 P HA -0.007 nan 4.420 nan 0.000 0.262 118 P C -0.057 177.133 177.300 -0.184 0.000 1.182 118 P CA 0.010 62.926 63.100 -0.307 0.000 0.761 118 P CB 0.413 31.922 31.700 -0.319 0.000 0.795 119 R N 3.442 123.875 120.500 -0.111 0.000 2.096 119 R HA -0.198 4.142 4.340 0.000 0.000 0.240 119 R C 1.425 177.671 176.300 -0.090 0.000 1.139 119 R CA 2.459 58.515 56.100 -0.074 0.000 0.952 119 R CB -1.286 28.981 30.300 -0.056 0.000 0.854 119 R HN 0.674 nan 8.270 nan 0.000 0.436 120 D N -0.131 120.213 120.400 -0.092 0.000 2.309 120 D HA -0.085 4.555 4.640 0.000 0.000 0.212 120 D C 1.454 177.692 176.300 -0.104 0.000 0.968 120 D CA 1.145 55.089 54.000 -0.093 0.000 0.882 120 D CB -0.036 40.720 40.800 -0.073 0.000 0.918 120 D HN 0.202 nan 8.370 nan 0.000 0.503 121 A N 0.170 122.929 122.820 -0.102 0.000 2.123 121 A HA -0.023 4.297 4.320 0.000 0.000 0.214 121 A C 1.980 179.517 177.584 -0.077 0.000 1.152 121 A CA 0.485 52.479 52.037 -0.072 0.000 0.728 121 A CB -0.385 18.582 19.000 -0.055 0.000 0.814 121 A HN 0.193 nan 8.150 nan 0.000 0.464 122 E N 0.282 120.421 120.200 -0.101 0.000 2.038 122 E HA -0.146 4.204 4.350 0.000 0.000 0.195 122 E C -0.819 175.580 176.600 -0.335 0.000 1.000 122 E CA 1.532 57.843 56.400 -0.148 0.000 0.803 122 E CB -0.683 28.908 29.700 -0.182 0.000 0.750 122 E HN 0.516 nan 8.360 nan 0.000 0.448 123 P HA -0.019 nan 4.420 nan 0.000 0.249 123 P C 0.253 177.096 177.300 -0.762 0.000 1.241 123 P CA 0.643 63.448 63.100 -0.492 0.000 0.781 123 P CB 0.231 31.732 31.700 -0.332 0.000 1.088 124 R N -0.985 119.172 120.500 -0.572 0.000 2.312 124 R HA 0.099 4.439 4.340 0.000 0.000 0.205 124 R C 0.132 176.145 176.300 -0.478 0.000 0.904 124 R CA -0.027 55.780 56.100 -0.488 0.000 1.052 124 R CB -0.486 29.712 30.300 -0.169 0.000 1.014 124 R HN 0.370 nan 8.270 nan 0.000 0.503 125 H N -0.762 118.274 119.070 -0.057 0.000 4.747 125 H HA -0.185 4.371 4.556 0.000 0.000 0.260 125 H C -0.884 174.570 175.328 0.211 0.000 0.537 125 H CA 0.293 56.342 56.048 0.002 0.000 0.689 125 H CB -0.738 28.865 29.762 -0.265 0.000 0.913 125 H HN 0.089 nan 8.280 nan 0.000 0.306 126 L N 1.610 123.125 121.223 0.488 0.000 2.410 126 L HA 0.552 4.892 4.340 0.000 0.000 0.270 126 L C -1.309 175.803 176.870 0.404 0.000 0.983 126 L CA -0.770 54.320 54.840 0.417 0.000 0.822 126 L CB 1.618 43.881 42.059 0.341 0.000 1.285 126 L HN 0.504 nan 8.230 nan 0.000 0.409 127 L N 6.129 127.469 121.223 0.195 0.000 2.298 127 L HA 0.618 4.958 4.340 0.000 0.000 0.284 127 L C -1.148 175.703 176.870 -0.031 0.000 1.013 127 L CA -0.255 54.516 54.840 -0.115 0.000 0.824 127 L CB 1.687 43.538 42.059 -0.346 0.000 1.221 127 L HN 0.402 nan 8.230 nan 0.000 0.418 128 V N 5.180 125.084 119.914 -0.017 0.000 2.304 128 V HA 0.375 4.495 4.120 0.000 0.000 0.269 128 V C 0.015 176.105 176.094 -0.006 0.000 1.036 128 V CA -0.584 61.726 62.300 0.018 0.000 0.840 128 V CB 0.723 32.584 31.823 0.063 0.000 1.036 128 V HN 0.813 nan 8.190 nan 0.000 0.466 129 N N 3.367 122.060 118.700 -0.012 0.000 2.438 129 N HA 0.744 5.484 4.740 0.000 0.000 0.282 129 N C -0.132 175.385 175.510 0.012 0.000 1.037 129 N CA 0.258 53.301 53.050 -0.012 0.000 0.942 129 N CB 1.630 40.103 38.487 -0.023 0.000 1.136 129 N HN 0.849 nan 8.380 nan 0.000 0.481 130 G N 0.686 109.494 108.800 0.015 0.000 2.596 130 G HA2 0.555 4.515 3.960 0.000 0.000 0.296 130 G HA3 0.555 4.515 3.960 0.000 0.000 0.296 130 G C -1.190 173.723 174.900 0.022 0.000 1.513 130 G CA -0.364 44.750 45.100 0.024 0.000 0.851 130 G HN 0.722 nan 8.290 nan 0.000 0.548 131 A N 0.696 123.530 122.820 0.022 0.000 2.429 131 A HA 0.616 4.936 4.320 0.000 0.000 0.242 131 A C 1.143 178.739 177.584 0.020 0.000 1.088 131 A CA 0.877 52.925 52.037 0.019 0.000 0.784 131 A CB 0.241 19.252 19.000 0.018 0.000 1.038 131 A HN 1.771 nan 8.150 nan 0.000 0.501 132 T N 0.145 114.710 114.554 0.019 0.000 2.867 132 T HA 0.415 4.765 4.350 0.000 0.000 0.297 132 T C 1.277 175.986 174.700 0.015 0.000 0.989 132 T CA 1.569 63.680 62.100 0.019 0.000 1.159 132 T CB -0.569 68.310 68.868 0.017 0.000 0.928 132 T HN 2.371 nan 8.240 nan 0.000 0.538 133 G N 3.309 112.118 108.800 0.015 0.000 2.132 133 G HA2 -0.280 3.680 3.960 0.000 0.000 0.234 133 G HA3 -0.280 3.680 3.960 0.000 0.000 0.234 133 G C 0.735 175.643 174.900 0.012 0.000 0.989 133 G CA 0.874 45.981 45.100 0.011 0.000 0.676 133 G HN 1.227 nan 8.290 nan 0.000 0.522 134 T N -3.378 111.185 114.554 0.016 0.000 3.037 134 T HA 0.486 4.836 4.350 0.000 0.000 0.251 134 T C 1.974 176.685 174.700 0.018 0.000 1.079 134 T CA 1.544 63.654 62.100 0.016 0.000 1.067 134 T CB 0.782 69.662 68.868 0.020 0.000 0.948 134 T HN 2.048 nan 8.240 nan 0.000 0.496 135 G N 1.341 110.155 108.800 0.023 0.000 2.200 135 G HA2 -0.151 3.809 3.960 0.000 0.000 0.145 135 G HA3 -0.151 3.809 3.960 0.000 0.000 0.145 135 G C 0.753 175.676 174.900 0.038 0.000 1.021 135 G CA 0.080 45.197 45.100 0.028 0.000 0.720 135 G HN 0.439 nan 8.290 nan 0.000 0.494 136 K N 0.820 121.244 120.400 0.040 0.000 2.032 136 K HA -0.075 4.245 4.320 0.000 0.000 0.209 136 K C 2.501 179.137 176.600 0.060 0.000 1.048 136 K CA 1.770 58.088 56.287 0.053 0.000 0.927 136 K CB -0.264 32.267 32.500 0.052 0.000 0.712 136 K HN 0.283 nan 8.250 nan 0.000 0.441 137 S N 0.948 116.676 115.700 0.046 0.000 2.368 137 S HA -0.093 4.377 4.470 0.000 0.000 0.225 137 S C 2.214 176.838 174.600 0.040 0.000 1.030 137 S CA 1.024 59.246 58.200 0.037 0.000 0.999 137 S CB -0.220 62.991 63.200 0.018 0.000 0.844 137 S HN 0.054 nan 8.310 nan 0.000 0.459 138 V N 2.078 122.021 119.914 0.049 0.000 2.261 138 V HA -0.163 3.957 4.120 0.000 0.000 0.246 138 V C 2.204 178.346 176.094 0.079 0.000 1.047 138 V CA 1.686 64.028 62.300 0.070 0.000 1.015 138 V CB -0.600 31.260 31.823 0.061 0.000 0.642 138 V HN 0.420 nan 8.190 nan 0.000 0.446 139 L N -0.929 120.337 121.223 0.071 0.000 2.012 139 L HA -0.225 4.115 4.340 0.000 0.000 0.210 139 L C 2.337 179.259 176.870 0.087 0.000 1.073 139 L CA 1.775 56.664 54.840 0.082 0.000 0.748 139 L CB -0.198 41.908 42.059 0.079 0.000 0.891 139 L HN 0.237 nan 8.230 nan 0.000 0.431 140 L N -0.283 120.991 121.223 0.085 0.000 2.131 140 L HA -0.190 4.150 4.340 0.000 0.000 0.210 140 L C 2.699 179.503 176.870 -0.109 0.000 1.092 140 L CA 1.564 56.449 54.840 0.076 0.000 0.759 140 L CB -0.692 41.441 42.059 0.123 0.000 0.903 140 L HN 0.206 nan 8.230 nan 0.000 0.435 141 R N -0.498 119.969 120.500 -0.056 0.000 2.075 141 R HA -0.196 4.144 4.340 0.000 0.000 0.232 141 R C 2.277 178.531 176.300 -0.077 0.000 1.126 141 R CA 1.574 57.631 56.100 -0.072 0.000 0.963 141 R CB -0.096 30.203 30.300 -0.001 0.000 0.858 141 R HN 0.496 nan 8.270 nan 0.000 0.435 142 E N 0.489 120.723 120.200 0.056 0.000 2.072 142 E HA -0.211 4.139 4.350 0.000 0.000 0.191 142 E C 2.050 178.680 176.600 0.050 0.000 0.985 142 E CA 0.900 57.393 56.400 0.155 0.000 0.801 142 E CB -0.112 29.694 29.700 0.177 0.000 0.750 142 E HN 0.355 nan 8.360 nan 0.000 0.452 143 L N 0.504 121.719 121.223 -0.013 0.000 1.994 143 L HA -0.195 4.145 4.340 0.000 0.000 0.208 143 L C 2.651 179.374 176.870 -0.245 0.000 1.071 143 L CA 1.479 56.283 54.840 -0.059 0.000 0.745 143 L CB -0.467 41.648 42.059 0.094 0.000 0.892 143 L HN 0.298 nan 8.230 nan 0.000 0.431 144 A N -0.859 121.682 122.820 -0.466 0.000 1.883 144 A HA -0.337 3.983 4.320 0.000 0.000 0.217 144 A C 2.121 179.356 177.584 -0.581 0.000 1.186 144 A CA 2.025 53.626 52.037 -0.727 0.000 0.624 144 A CB -1.149 17.235 19.000 -1.027 0.000 0.822 144 A HN 0.597 nan 8.150 nan 0.000 0.444 145 Y N 1.909 121.748 120.300 -0.768 0.000 2.053 145 Y HA -0.285 4.265 4.550 0.000 0.000 0.277 145 Y C 2.919 178.590 175.900 -0.382 0.000 1.159 145 Y CA 2.899 60.517 58.100 -0.803 0.000 1.125 145 Y CB -1.103 37.015 38.460 -0.569 0.000 0.969 145 Y HN 0.444 nan 8.280 nan 0.000 0.492 146 T N -2.375 111.928 114.554 -0.419 0.000 2.881 146 T HA -0.092 4.258 4.350 0.000 0.000 0.270 146 T C 2.162 176.675 174.700 -0.312 0.000 1.068 146 T CA 1.234 63.093 62.100 -0.402 0.000 1.131 146 T CB -1.309 67.467 68.868 -0.153 0.000 0.871 146 T HN 0.442 nan 8.240 nan 0.000 0.479 147 G N 1.299 109.903 108.800 -0.326 0.000 2.403 147 G HA2 0.046 4.006 3.960 0.000 0.000 0.216 147 G HA3 0.046 4.006 3.960 0.000 0.000 0.216 147 G C 1.511 176.312 174.900 -0.165 0.000 1.154 147 G CA 0.490 45.439 45.100 -0.253 0.000 0.784 147 G HN 0.525 nan 8.290 nan 0.000 0.538 148 L N 0.022 121.090 121.223 -0.257 0.000 2.093 148 L HA 0.058 4.398 4.340 0.000 0.000 0.208 148 L C 2.816 179.586 176.870 -0.167 0.000 1.085 148 L CA 0.394 55.127 54.840 -0.178 0.000 0.755 148 L CB -0.325 41.598 42.059 -0.227 0.000 0.904 148 L HN 0.171 nan 8.230 nan 0.000 0.435 149 L N -0.469 120.580 121.223 -0.291 0.000 2.131 149 L HA -0.211 4.129 4.340 0.000 0.000 0.210 149 L C 2.620 179.418 176.870 -0.121 0.000 1.092 149 L CA 1.143 55.840 54.840 -0.238 0.000 0.759 149 L CB -0.453 41.386 42.059 -0.367 0.000 0.903 149 L HN 0.254 nan 8.230 nan 0.000 0.435 150 R N 0.197 120.640 120.500 -0.095 0.000 2.299 150 R HA 0.006 4.346 4.340 0.000 0.000 0.197 150 R C 1.127 177.428 176.300 0.002 0.000 0.971 150 R CA 0.661 56.745 56.100 -0.028 0.000 1.030 150 R CB 0.134 30.440 30.300 0.010 0.000 0.932 150 R HN 0.391 nan 8.270 nan 0.000 0.477 151 G N 1.331 110.129 108.800 -0.004 0.000 2.137 151 G HA2 -0.208 3.752 3.960 0.000 0.000 0.237 151 G HA3 -0.208 3.752 3.960 0.000 0.000 0.237 151 G C -0.751 174.183 174.900 0.057 0.000 1.002 151 G CA 0.239 45.351 45.100 0.021 0.000 0.702 151 G HN 0.408 nan 8.290 nan 0.000 0.515 152 D N -0.003 120.459 120.400 0.103 0.000 2.313 152 D HA 0.441 5.081 4.640 0.000 0.000 0.247 152 D C 1.072 177.484 176.300 0.185 0.000 1.094 152 D CA -0.103 54.007 54.000 0.183 0.000 0.925 152 D CB 0.829 41.870 40.800 0.401 0.000 1.188 152 D HN 0.391 nan 8.370 nan 0.000 0.430 153 R N 0.429 121.030 120.500 0.169 0.000 2.532 153 R HA 0.696 5.036 4.340 0.000 0.000 0.272 153 R C 0.261 176.727 176.300 0.276 0.000 1.032 153 R CA -0.544 55.648 56.100 0.154 0.000 1.089 153 R CB 1.064 31.371 30.300 0.012 0.000 1.098 153 R HN 0.514 nan 8.270 nan 0.000 0.526 154 M N -1.548 118.228 119.600 0.293 0.000 2.643 154 M HA 0.399 4.879 4.480 0.000 0.000 0.276 154 M C -1.600 174.886 176.300 0.310 0.000 1.200 154 M CA -1.146 54.367 55.300 0.356 0.000 0.863 154 M CB 1.909 34.759 32.600 0.417 0.000 1.711 154 M HN 0.195 nan 8.290 nan 0.000 0.492 155 V N 2.874 122.964 119.914 0.292 0.000 2.409 155 V HA 0.579 4.699 4.120 0.000 0.000 0.291 155 V C -0.573 175.605 176.094 0.141 0.000 1.020 155 V CA -0.412 61.983 62.300 0.158 0.000 0.848 155 V CB 1.760 33.693 31.823 0.183 0.000 0.990 155 V HN 0.723 nan 8.190 nan 0.000 0.430 156 I N 4.983 125.536 120.570 -0.028 0.000 2.382 156 I HA 0.335 4.505 4.170 0.000 0.000 0.286 156 I C -0.199 175.989 176.117 0.119 0.000 1.002 156 I CA -0.844 60.486 61.300 0.051 0.000 1.135 156 I CB 2.054 39.954 38.000 -0.166 0.000 1.288 156 I HN 0.265 nan 8.210 nan 0.000 0.448 157 V N 5.030 125.083 119.914 0.231 0.000 2.364 157 V HA 0.014 4.134 4.120 0.000 0.000 0.252 157 V C -0.076 176.203 176.094 0.308 0.000 1.075 157 V CA 0.247 62.752 62.300 0.342 0.000 1.033 157 V CB 0.204 32.239 31.823 0.353 0.000 1.116 157 V HN 0.623 nan 8.190 nan 0.000 0.488 158 D N 7.357 127.894 120.400 0.229 0.000 2.454 158 D HA 0.383 5.023 4.640 0.000 0.000 0.225 158 D C -2.680 173.356 176.300 -0.441 0.000 1.081 158 D CA -2.124 51.872 54.000 -0.007 0.000 0.864 158 D CB 1.779 42.648 40.800 0.115 0.000 1.040 158 D HN 0.256 nan 8.370 nan 0.000 0.517 159 P HA 0.162 nan 4.420 nan 0.000 0.271 159 P C -0.161 176.735 177.300 -0.673 0.000 1.216 159 P CA -0.171 62.219 63.100 -1.183 0.000 0.771 159 P CB 0.472 31.789 31.700 -0.638 0.000 0.864 160 N N 2.287 120.561 118.700 -0.709 0.000 2.678 160 N HA -0.212 4.528 4.740 0.000 0.000 0.250 160 N C 0.858 176.215 175.510 -0.254 0.000 1.136 160 N CA 1.658 54.469 53.050 -0.398 0.000 0.757 160 N CB -1.824 36.487 38.487 -0.293 0.000 1.135 160 N HN 0.890 nan 8.380 nan 0.000 0.565 161 G N 0.428 109.085 108.800 -0.239 0.000 2.321 161 G HA2 -0.374 3.586 3.960 0.000 0.000 0.287 161 G HA3 -0.374 3.586 3.960 0.000 0.000 0.287 161 G C 0.643 175.459 174.900 -0.140 0.000 1.018 161 G CA 1.297 46.324 45.100 -0.122 0.000 0.855 161 G HN 0.644 nan 8.290 nan 0.000 0.507 162 D N -0.399 119.904 120.400 -0.162 0.000 2.084 162 D HA -0.104 4.536 4.640 0.000 0.000 0.194 162 D C 2.605 178.776 176.300 -0.216 0.000 0.990 162 D CA 1.634 55.529 54.000 -0.174 0.000 0.826 162 D CB -0.108 40.596 40.800 -0.159 0.000 0.971 162 D HN 0.337 nan 8.370 nan 0.000 0.453 163 M N -0.197 119.323 119.600 -0.133 0.000 2.159 163 M HA -0.088 4.392 4.480 0.000 0.000 0.263 163 M C 2.272 178.528 176.300 -0.072 0.000 1.063 163 M CA 0.715 55.956 55.300 -0.098 0.000 1.110 163 M CB -0.794 31.909 32.600 0.172 0.000 1.374 163 M HN 0.249 nan 8.290 nan 0.000 0.411 164 L N 0.958 122.120 121.223 -0.102 0.000 2.012 164 L HA -0.172 4.168 4.340 0.000 0.000 0.210 164 L C 2.637 179.218 176.870 -0.481 0.000 1.073 164 L CA 2.432 56.889 54.840 -0.639 0.000 0.748 164 L CB -0.890 40.885 42.059 -0.474 0.000 0.891 164 L HN 0.406 nan 8.230 nan 0.000 0.431 165 S N -1.669 113.838 115.700 -0.321 0.000 2.474 165 S HA -0.101 4.369 4.470 0.000 0.000 0.235 165 S C 1.774 176.197 174.600 -0.295 0.000 0.997 165 S CA 0.705 58.749 58.200 -0.260 0.000 0.949 165 S CB -0.411 62.677 63.200 -0.187 0.000 0.766 165 S HN 0.500 nan 8.310 nan 0.000 0.517 166 K N 0.269 120.384 120.400 -0.476 0.000 2.214 166 K HA 0.259 4.579 4.320 0.000 0.000 0.201 166 K C 0.595 176.872 176.600 -0.538 0.000 1.049 166 K CA 0.667 56.555 56.287 -0.666 0.000 0.978 166 K CB -0.252 31.469 32.500 -1.298 0.000 0.842 166 K HN 0.555 nan 8.250 nan 0.000 0.474 167 F N 0.798 120.719 119.950 -0.048 0.000 2.706 167 F HA 0.329 4.856 4.527 0.000 0.000 0.313 167 F C 1.101 176.928 175.800 0.044 0.000 1.096 167 F CA -1.213 56.814 58.000 0.045 0.000 1.219 167 F CB -0.297 38.769 39.000 0.110 0.000 1.051 167 F HN -0.177 nan 8.300 nan 0.000 0.568 168 G N 1.357 110.083 108.800 -0.124 0.000 2.378 168 G HA2 0.469 4.429 3.960 0.000 0.000 0.255 168 G HA3 0.469 4.429 3.960 0.000 0.000 0.255 168 G C 0.075 174.922 174.900 -0.088 0.000 1.270 168 G CA -0.233 44.669 45.100 -0.329 0.000 0.876 168 G HN 0.148 nan 8.290 nan 0.000 0.521 169 R N 1.107 121.616 120.500 0.016 0.000 2.867 169 R HA 0.415 4.755 4.340 0.000 0.000 0.227 169 R C 0.479 176.791 176.300 0.021 0.000 1.372 169 R CA -0.724 55.401 56.100 0.042 0.000 1.083 169 R CB 0.706 31.064 30.300 0.098 0.000 1.596 169 R HN 0.406 nan 8.270 nan 0.000 0.522 170 D N 0.305 120.725 120.400 0.033 0.000 2.194 170 D HA -0.097 4.543 4.640 0.000 0.000 0.204 170 D C 0.997 177.329 176.300 0.054 0.000 0.964 170 D CA 1.149 55.165 54.000 0.026 0.000 0.846 170 D CB 0.095 40.909 40.800 0.023 0.000 0.962 170 D HN 0.440 nan 8.370 nan 0.000 0.490 171 K N 0.422 120.872 120.400 0.084 0.000 2.486 171 K HA 0.021 4.341 4.320 0.000 0.000 0.194 171 K C -0.140 176.560 176.600 0.167 0.000 1.033 171 K CA 0.284 56.640 56.287 0.115 0.000 1.004 171 K CB 0.193 32.761 32.500 0.114 0.000 0.798 171 K HN -0.053 nan 8.250 nan 0.000 0.495 172 D N 1.379 121.878 120.400 0.165 0.000 2.339 172 D HA 0.176 4.816 4.640 0.000 0.000 0.245 172 D C 0.134 176.527 176.300 0.156 0.000 1.115 172 D CA -0.280 53.864 54.000 0.239 0.000 0.917 172 D CB 0.931 41.911 40.800 0.301 0.000 1.192 172 D HN -0.039 nan 8.370 nan 0.000 0.428 173 I N 1.537 122.202 120.570 0.159 0.000 2.488 173 I HA 0.374 4.544 4.170 0.000 0.000 0.299 173 I C 0.403 176.455 176.117 -0.109 0.000 0.984 173 I CA -0.504 60.748 61.300 -0.081 0.000 1.250 173 I CB 1.048 38.852 38.000 -0.328 0.000 1.389 173 I HN 0.177 nan 8.210 nan 0.000 0.488 174 I N 6.007 126.435 120.570 -0.236 0.000 2.466 174 I HA 0.375 4.545 4.170 0.000 0.000 0.289 174 I C -0.796 175.111 176.117 -0.350 0.000 1.026 174 I CA -0.532 60.652 61.300 -0.193 0.000 1.078 174 I CB 2.309 40.237 38.000 -0.120 0.000 1.249 174 I HN 0.217 nan 8.210 nan 0.000 0.429 175 L N 6.602 127.585 121.223 -0.400 0.000 2.316 175 L HA 0.533 4.873 4.340 0.000 0.000 0.280 175 L C -0.672 176.052 176.870 -0.243 0.000 1.006 175 L CA -0.309 54.151 54.840 -0.634 0.000 0.836 175 L CB 1.201 42.426 42.059 -1.391 0.000 1.221 175 L HN 0.559 nan 8.230 nan 0.000 0.418 176 N N 5.302 124.013 118.700 0.018 0.000 2.839 176 N HA 0.169 4.909 4.740 0.000 0.000 0.258 176 N C -2.378 173.289 175.510 0.261 0.000 1.150 176 N CA -1.031 52.193 53.050 0.290 0.000 0.957 176 N CB 2.554 41.218 38.487 0.295 0.000 1.560 176 N HN 0.097 nan 8.380 nan 0.000 0.588 177 P HA -0.095 nan 4.420 nan 0.000 0.221 177 P C 0.319 177.463 177.300 -0.261 0.000 1.145 177 P CA 1.277 64.372 63.100 -0.009 0.000 0.795 177 P CB 0.132 31.765 31.700 -0.113 0.000 0.775 178 Y N -1.188 119.246 120.300 0.224 0.000 2.467 178 Y HA 0.271 4.821 4.550 0.000 0.000 0.250 178 Y C 1.004 177.021 175.900 0.195 0.000 1.155 178 Y CA -0.633 57.614 58.100 0.245 0.000 1.249 178 Y CB 0.008 38.673 38.460 0.341 0.000 1.146 178 Y HN -0.066 nan 8.280 nan 0.000 0.524 179 D N 0.716 121.247 120.400 0.218 0.000 2.193 179 D HA 0.030 4.670 4.640 0.000 0.000 0.244 179 D C 0.884 177.131 176.300 -0.088 0.000 1.064 179 D CA -0.090 53.887 54.000 -0.039 0.000 0.845 179 D CB 1.747 42.579 40.800 0.054 0.000 1.148 179 D HN 0.210 nan 8.370 nan 0.000 0.464 180 Q N 3.063 122.760 119.800 -0.171 0.000 2.234 180 Q HA -0.166 4.174 4.340 0.000 0.000 0.206 180 Q C 1.218 177.165 176.000 -0.090 0.000 0.980 180 Q CA 1.497 57.229 55.803 -0.118 0.000 0.869 180 Q CB 0.259 28.915 28.738 -0.136 0.000 0.912 180 Q HN 0.394 nan 8.270 nan 0.000 0.436 181 R N -0.270 120.170 120.500 -0.100 0.000 2.310 181 R HA 0.077 4.417 4.340 0.000 0.000 0.202 181 R C 0.702 176.946 176.300 -0.093 0.000 0.933 181 R CA 0.444 56.491 56.100 -0.088 0.000 1.054 181 R CB 0.022 30.264 30.300 -0.097 0.000 0.985 181 R HN 0.083 nan 8.270 nan 0.000 0.489 182 T N 1.204 115.708 114.554 -0.084 0.000 2.906 182 T HA 0.001 4.351 4.350 0.000 0.000 0.320 182 T C 0.300 174.928 174.700 -0.120 0.000 1.088 182 T CA -0.041 61.992 62.100 -0.112 0.000 1.120 182 T CB 0.484 69.321 68.868 -0.051 0.000 1.000 182 T HN -0.078 nan 8.240 nan 0.000 0.550 183 K N 2.269 122.539 120.400 -0.217 0.000 2.102 183 K HA 0.450 4.770 4.320 0.000 0.000 0.244 183 K C 0.590 177.186 176.600 -0.007 0.000 1.021 183 K CA -0.475 55.713 56.287 -0.165 0.000 0.913 183 K CB 0.570 32.799 32.500 -0.452 0.000 1.062 183 K HN 0.770 nan 8.250 nan 0.000 0.485 184 G N 0.011 108.877 108.800 0.111 0.000 2.356 184 G HA2 0.391 4.351 3.960 0.000 0.000 0.298 184 G HA3 0.391 4.351 3.960 0.000 0.000 0.298 184 G C -1.512 173.605 174.900 0.361 0.000 1.145 184 G CA -0.369 44.845 45.100 0.189 0.000 0.850 184 G HN 0.561 nan 8.290 nan 0.000 0.487 185 W N 1.418 122.828 121.300 0.183 0.000 3.213 185 W HA 0.614 5.274 4.660 0.000 0.000 0.318 185 W C -0.718 175.983 176.519 0.304 0.000 1.248 185 W CA -0.756 56.751 57.345 0.271 0.000 1.187 185 W CB 2.115 31.778 29.460 0.339 0.000 1.403 185 W HN 0.811 nan 8.180 nan 0.000 0.556 186 S N 3.667 118.814 115.700 -0.922 0.000 2.537 186 S HA 0.318 4.788 4.470 0.000 0.000 0.270 186 S C 0.071 173.737 174.600 -1.557 0.000 1.142 186 S CA -0.371 57.303 58.200 -0.878 0.000 0.870 186 S CB 0.299 63.389 63.200 -0.184 0.000 1.112 186 S HN 0.926 nan 8.310 nan 0.000 0.466 187 F N 2.665 121.885 119.950 -1.217 0.000 2.546 187 F HA 0.241 4.768 4.527 0.000 0.000 0.298 187 F C 1.113 176.641 175.800 -0.454 0.000 1.120 187 F CA 0.479 58.073 58.000 -0.677 0.000 1.456 187 F CB -0.777 38.102 39.000 -0.203 0.000 1.088 187 F HN 0.528 nan 8.300 nan 0.000 0.572 188 F N 1.617 120.921 119.950 -1.078 0.000 2.126 188 F HA -0.203 4.324 4.527 0.000 0.000 0.299 188 F C 1.944 177.402 175.800 -0.570 0.000 1.096 188 F CA 1.469 58.956 58.000 -0.855 0.000 1.255 188 F CB -0.727 37.957 39.000 -0.527 0.000 0.997 188 F HN -0.002 nan 8.300 nan 0.000 0.479 189 N N 0.151 118.677 118.700 -0.290 0.000 2.513 189 N HA -0.147 4.593 4.740 0.000 0.000 0.187 189 N C 1.220 176.604 175.510 -0.210 0.000 1.056 189 N CA 0.960 53.885 53.050 -0.208 0.000 0.907 189 N CB -0.350 38.038 38.487 -0.165 0.000 0.954 189 N HN 0.369 nan 8.380 nan 0.000 0.445 190 E N -0.274 119.728 120.200 -0.330 0.000 2.460 190 E HA 0.113 4.463 4.350 0.000 0.000 0.200 190 E C 0.270 176.586 176.600 -0.473 0.000 1.011 190 E CA -0.136 56.001 56.400 -0.438 0.000 0.912 190 E CB 0.625 29.837 29.700 -0.814 0.000 0.953 190 E HN 0.219 nan 8.360 nan 0.000 0.494 191 I N 1.769 122.049 120.570 -0.482 0.000 2.533 191 I HA 0.064 4.234 4.170 0.000 0.000 0.284 191 I C 1.391 177.295 176.117 -0.354 0.000 1.109 191 I CA 0.581 61.560 61.300 -0.536 0.000 1.412 191 I CB 0.513 37.937 38.000 -0.960 0.000 1.396 191 I HN -0.017 nan 8.210 nan 0.000 0.543 192 R N 3.537 123.858 120.500 -0.298 0.000 2.573 192 R HA 0.249 4.589 4.340 0.000 0.000 0.224 192 R C -0.031 176.171 176.300 -0.163 0.000 0.904 192 R CA -0.128 55.862 56.100 -0.184 0.000 0.995 192 R CB 0.755 30.986 30.300 -0.115 0.000 1.430 192 R HN 0.622 nan 8.270 nan 0.000 0.631 193 N N -0.058 118.484 118.700 -0.265 0.000 2.697 193 N HA 0.039 4.779 4.740 0.000 0.000 0.272 193 N C -0.404 174.990 175.510 -0.193 0.000 1.381 193 N CA -0.415 52.527 53.050 -0.180 0.000 0.797 193 N CB 1.671 40.047 38.487 -0.186 0.000 1.523 193 N HN -0.177 nan 8.380 nan 0.000 0.518 194 D N -0.125 120.298 120.400 0.039 0.000 2.144 194 D HA -0.164 4.476 4.640 0.000 0.000 0.200 194 D C 1.706 178.127 176.300 0.202 0.000 0.978 194 D CA 1.495 55.620 54.000 0.208 0.000 0.833 194 D CB -0.037 40.913 40.800 0.249 0.000 0.961 194 D HN 0.656 nan 8.370 nan 0.000 0.470 195 Y N -0.803 119.571 120.300 0.124 0.000 2.569 195 Y HA 0.036 4.586 4.550 0.000 0.000 0.293 195 Y C 1.303 177.254 175.900 0.085 0.000 1.144 195 Y CA 0.662 58.823 58.100 0.103 0.000 1.321 195 Y CB -0.495 37.998 38.460 0.056 0.000 0.982 195 Y HN -0.129 nan 8.280 nan 0.000 0.558 196 D N 0.261 120.397 120.400 -0.441 0.000 2.269 196 D HA -0.134 4.506 4.640 0.000 0.000 0.208 196 D C 1.374 177.673 176.300 -0.001 0.000 0.963 196 D CA 1.081 54.906 54.000 -0.293 0.000 0.864 196 D CB -0.457 40.139 40.800 -0.339 0.000 0.936 196 D HN 0.562 nan 8.370 nan 0.000 0.505 197 W N 1.285 122.645 121.300 0.101 0.000 2.353 197 W HA -0.202 4.458 4.660 -0.000 0.000 0.319 197 W C 2.720 179.327 176.519 0.148 0.000 1.207 197 W CA 0.713 58.156 57.345 0.164 0.000 1.291 197 W CB -0.537 28.994 29.460 0.118 0.000 1.159 197 W HN -0.035 nan 8.180 nan 0.000 0.478 198 Q N 1.149 121.148 119.800 0.332 0.000 2.084 198 Q HA -0.210 4.130 4.340 0.000 0.000 0.202 198 Q C 2.184 178.249 176.000 0.109 0.000 0.978 198 Q CA 1.965 57.884 55.803 0.194 0.000 0.844 198 Q CB -0.548 28.280 28.738 0.150 0.000 0.898 198 Q HN 0.215 nan 8.270 nan 0.000 0.426 199 R N -1.194 119.335 120.500 0.047 0.000 2.113 199 R HA -0.214 4.126 4.340 0.000 0.000 0.244 199 R C 1.417 177.544 176.300 -0.287 0.000 1.142 199 R CA 2.040 58.045 56.100 -0.157 0.000 0.953 199 R CB -0.345 29.774 30.300 -0.302 0.000 0.860 199 R HN 0.471 nan 8.270 nan 0.000 0.438 200 Y N -1.142 119.239 120.300 0.135 0.000 2.482 200 Y HA 0.236 4.786 4.550 0.000 0.000 0.270 200 Y C 1.997 177.938 175.900 0.068 0.000 1.152 200 Y CA 0.238 58.434 58.100 0.160 0.000 1.292 200 Y CB 0.385 39.003 38.460 0.263 0.000 1.070 200 Y HN 0.208 nan 8.280 nan 0.000 0.528 201 A N -0.306 122.603 122.820 0.148 0.000 2.014 201 A HA -0.078 4.242 4.320 0.000 0.000 0.218 201 A C 1.880 179.464 177.584 0.001 0.000 1.163 201 A CA 0.969 53.010 52.037 0.008 0.000 0.652 201 A CB -0.495 18.552 19.000 0.079 0.000 0.808 201 A HN 0.334 nan 8.150 nan 0.000 0.449 202 L N -0.052 121.190 121.223 0.032 0.000 2.275 202 L HA -0.006 4.334 4.340 0.000 0.000 0.215 202 L C 2.307 179.198 176.870 0.035 0.000 1.119 202 L CA 1.815 56.667 54.840 0.021 0.000 0.790 202 L CB -0.769 41.294 42.059 0.007 0.000 0.919 202 L HN 0.338 nan 8.230 nan 0.000 0.443 203 S N -1.892 113.852 115.700 0.073 0.000 2.441 203 S HA -0.005 4.465 4.470 0.000 0.000 0.224 203 S C 1.963 176.617 174.600 0.090 0.000 1.043 203 S CA 0.608 58.883 58.200 0.126 0.000 0.948 203 S CB 0.132 63.498 63.200 0.275 0.000 0.810 203 S HN 0.197 nan 8.310 nan 0.000 0.504 204 V N 1.564 121.482 119.914 0.006 0.000 2.358 204 V HA 0.009 4.129 4.120 0.000 0.000 0.246 204 V C 0.759 176.809 176.094 -0.072 0.000 1.047 204 V CA 1.022 63.252 62.300 -0.117 0.000 1.035 204 V CB -0.342 31.188 31.823 -0.488 0.000 0.658 204 V HN 0.275 nan 8.190 nan 0.000 0.452 205 V N 3.393 123.274 119.914 -0.056 0.000 2.239 205 V HA 0.308 4.428 4.120 0.000 0.000 0.267 205 V C -2.048 174.047 176.094 0.001 0.000 1.056 205 V CA -1.721 60.568 62.300 -0.018 0.000 0.830 205 V CB 0.798 32.616 31.823 -0.009 0.000 1.090 205 V HN 0.320 nan 8.190 nan 0.000 0.459 206 P HA 0.121 nan 4.420 nan 0.000 0.272 206 P C -0.138 177.151 177.300 -0.017 0.000 1.254 206 P CA -0.440 62.657 63.100 -0.006 0.000 0.795 206 P CB 0.788 32.476 31.700 -0.020 0.000 1.022 207 R N -0.203 120.275 120.500 -0.036 0.000 2.679 207 R HA 0.238 4.578 4.340 0.000 0.000 0.268 207 R C 1.040 177.302 176.300 -0.064 0.000 1.044 207 R CA 0.241 56.312 56.100 -0.048 0.000 1.105 207 R CB -0.687 29.581 30.300 -0.054 0.000 0.989 207 R HN 0.626 nan 8.270 nan 0.000 0.447 208 G N 0.947 109.712 108.800 -0.057 0.000 2.527 208 G HA2 0.010 3.970 3.960 0.000 0.000 0.248 208 G HA3 0.010 3.970 3.960 0.000 0.000 0.248 208 G C 0.816 175.665 174.900 -0.085 0.000 1.231 208 G CA -0.390 44.675 45.100 -0.057 0.000 0.838 208 G HN 0.636 nan 8.290 nan 0.000 0.570 209 K N -0.352 120.004 120.400 -0.074 0.000 2.057 209 K HA -0.051 4.269 4.320 0.000 0.000 0.206 209 K C 1.433 177.984 176.600 -0.081 0.000 1.050 209 K CA 1.552 57.791 56.287 -0.080 0.000 0.935 209 K CB -0.134 32.333 32.500 -0.055 0.000 0.715 209 K HN 0.625 nan 8.250 nan 0.000 0.439 210 T N -2.110 112.383 114.554 -0.102 0.000 2.949 210 T HA 0.186 4.536 4.350 0.000 0.000 0.287 210 T C 0.496 175.093 174.700 -0.172 0.000 1.034 210 T CA -0.922 61.103 62.100 -0.124 0.000 1.018 210 T CB 1.477 70.264 68.868 -0.135 0.000 1.135 210 T HN -0.056 nan 8.240 nan 0.000 0.532 211 D N 0.242 120.544 120.400 -0.162 0.000 2.123 211 D HA -0.135 4.505 4.640 0.000 0.000 0.196 211 D C 1.706 177.832 176.300 -0.289 0.000 0.992 211 D CA 1.492 55.384 54.000 -0.180 0.000 0.833 211 D CB -0.036 40.682 40.800 -0.137 0.000 0.954 211 D HN 0.855 nan 8.370 nan 0.000 0.455 212 E N 0.252 120.223 120.200 -0.382 0.000 2.106 212 E HA -0.123 4.227 4.350 0.000 0.000 0.192 212 E C 1.975 177.906 176.600 -1.115 0.000 0.984 212 E CA 0.865 56.864 56.400 -0.669 0.000 0.806 212 E CB 0.052 29.369 29.700 -0.637 0.000 0.750 212 E HN 0.162 nan 8.360 nan 0.000 0.458 213 A N 0.950 123.292 122.820 -0.797 0.000 1.969 213 A HA -0.199 4.121 4.320 0.000 0.000 0.218 213 A C 1.991 179.444 177.584 -0.218 0.000 1.169 213 A CA 1.702 53.443 52.037 -0.493 0.000 0.635 213 A CB -0.410 18.500 19.000 -0.149 0.000 0.810 213 A HN 0.259 nan 8.150 nan 0.000 0.445 214 E N 0.352 120.408 120.200 -0.240 0.000 2.152 214 E HA -0.151 4.199 4.350 0.000 0.000 0.192 214 E C 1.867 178.352 176.600 -0.192 0.000 0.983 214 E CA 1.440 57.749 56.400 -0.152 0.000 0.818 214 E CB -0.296 29.323 29.700 -0.136 0.000 0.758 214 E HN 0.700 nan 8.360 nan 0.000 0.467 215 E N -0.698 119.309 120.200 -0.320 0.000 2.047 215 E HA -0.173 4.177 4.350 0.000 0.000 0.191 215 E C 1.471 177.846 176.600 -0.374 0.000 0.987 215 E CA 1.281 57.441 56.400 -0.400 0.000 0.799 215 E CB -0.218 29.239 29.700 -0.405 0.000 0.752 215 E HN 0.358 nan 8.360 nan 0.000 0.449 216 W N 0.600 121.816 121.300 -0.140 0.000 2.333 216 W HA -0.091 4.569 4.660 0.000 0.000 0.316 216 W C 2.553 179.078 176.519 0.010 0.000 1.215 216 W CA 0.977 58.338 57.345 0.027 0.000 1.278 216 W CB -1.413 28.105 29.460 0.096 0.000 1.154 216 W HN 0.220 nan 8.180 nan 0.000 0.486 217 A N 1.070 124.018 122.820 0.213 0.000 1.927 217 A HA -0.310 4.010 4.320 0.000 0.000 0.220 217 A C 2.277 179.904 177.584 0.073 0.000 1.185 217 A CA 3.574 55.685 52.037 0.123 0.000 0.639 217 A CB -1.355 17.679 19.000 0.056 0.000 0.820 217 A HN 0.328 nan 8.150 nan 0.000 0.451 218 S N -1.229 114.453 115.700 -0.029 0.000 2.368 218 S HA -0.234 4.236 4.470 0.000 0.000 0.225 218 S C 1.934 176.589 174.600 0.091 0.000 1.030 218 S CA 1.506 59.682 58.200 -0.041 0.000 0.999 218 S CB -1.000 62.099 63.200 -0.168 0.000 0.844 218 S HN 0.671 nan 8.310 nan 0.000 0.459 219 Y N 1.981 122.398 120.300 0.195 0.000 2.181 219 Y HA 0.004 4.554 4.550 0.000 0.000 0.288 219 Y C 3.075 179.135 175.900 0.266 0.000 1.146 219 Y CA 0.342 58.615 58.100 0.289 0.000 1.164 219 Y CB -0.832 37.835 38.460 0.345 0.000 0.982 219 Y HN 0.477 nan 8.280 nan 0.000 0.515 220 G N 0.278 109.273 108.800 0.325 0.000 2.418 220 G HA2 -0.225 3.735 3.960 0.000 0.000 0.217 220 G HA3 -0.225 3.735 3.960 0.000 0.000 0.217 220 G C 1.639 176.626 174.900 0.144 0.000 1.158 220 G CA 0.651 45.865 45.100 0.190 0.000 0.771 220 G HN 0.306 nan 8.290 nan 0.000 0.545 221 R N -0.512 120.066 120.500 0.130 0.000 2.092 221 R HA 0.042 4.382 4.340 0.000 0.000 0.231 221 R C 2.440 178.812 176.300 0.121 0.000 1.119 221 R CA 0.959 57.114 56.100 0.091 0.000 0.970 221 R CB -0.549 29.791 30.300 0.068 0.000 0.864 221 R HN 0.393 nan 8.270 nan 0.000 0.440 222 L N 1.334 122.662 121.223 0.174 0.000 1.989 222 L HA -0.159 4.181 4.340 0.000 0.000 0.211 222 L C 2.100 179.090 176.870 0.200 0.000 1.071 222 L CA 1.605 56.543 54.840 0.163 0.000 0.749 222 L CB -0.752 41.411 42.059 0.173 0.000 0.890 222 L HN 0.107 nan 8.230 nan 0.000 0.431 223 L N -0.884 120.528 121.223 0.315 0.000 2.046 223 L HA -0.165 4.175 4.340 0.000 0.000 0.208 223 L C 2.331 179.265 176.870 0.107 0.000 1.077 223 L CA 2.005 56.984 54.840 0.230 0.000 0.747 223 L CB -0.937 41.166 42.059 0.073 0.000 0.896 223 L HN 0.457 nan 8.230 nan 0.000 0.432 224 L N 0.312 121.586 121.223 0.086 0.000 1.994 224 L HA -0.190 4.150 4.340 0.000 0.000 0.208 224 L C 2.864 179.779 176.870 0.076 0.000 1.071 224 L CA 2.348 57.223 54.840 0.058 0.000 0.745 224 L CB -0.873 41.180 42.059 -0.009 0.000 0.892 224 L HN 0.526 nan 8.230 nan 0.000 0.431 225 R N -1.058 119.490 120.500 0.079 0.000 2.096 225 R HA -0.137 4.203 4.340 0.000 0.000 0.235 225 R C 1.825 178.039 176.300 -0.144 0.000 1.127 225 R CA 1.577 57.715 56.100 0.064 0.000 0.968 225 R CB -0.803 29.575 30.300 0.130 0.000 0.861 225 R HN 0.359 nan 8.270 nan 0.000 0.440 226 E N 0.609 120.752 120.200 -0.095 0.000 2.107 226 E HA -0.073 4.277 4.350 0.000 0.000 0.191 226 E C 2.049 178.536 176.600 -0.187 0.000 0.982 226 E CA 1.725 58.022 56.400 -0.172 0.000 0.809 226 E CB -0.317 29.317 29.700 -0.109 0.000 0.756 226 E HN 0.429 nan 8.360 nan 0.000 0.459 227 T N 1.235 115.753 114.554 -0.060 0.000 2.777 227 T HA -0.062 4.288 4.350 0.000 0.000 0.266 227 T C 1.935 176.710 174.700 0.125 0.000 1.040 227 T CA 1.390 63.531 62.100 0.068 0.000 1.141 227 T CB -0.139 68.836 68.868 0.179 0.000 0.868 227 T HN 0.245 nan 8.240 nan 0.000 0.444 228 A N 1.474 124.335 122.820 0.068 0.000 1.930 228 A HA -0.041 4.279 4.320 0.000 0.000 0.217 228 A C 2.234 179.712 177.584 -0.175 0.000 1.175 228 A CA 1.568 53.695 52.037 0.150 0.000 0.627 228 A CB -0.473 18.640 19.000 0.188 0.000 0.815 228 A HN 0.414 nan 8.150 nan 0.000 0.443 229 K N -0.104 119.854 120.400 -0.737 0.000 2.032 229 K HA -0.213 4.107 4.320 0.000 0.000 0.209 229 K C 2.208 178.603 176.600 -0.341 0.000 1.048 229 K CA 1.926 57.606 56.287 -1.011 0.000 0.927 229 K CB -0.170 31.737 32.500 -0.988 0.000 0.712 229 K HN 0.477 nan 8.250 nan 0.000 0.441 230 K N 0.723 120.984 120.400 -0.233 0.000 2.025 230 K HA -0.106 4.214 4.320 0.000 0.000 0.207 230 K C 2.183 178.815 176.600 0.053 0.000 1.049 230 K CA 1.051 57.250 56.287 -0.146 0.000 0.933 230 K CB -0.077 32.202 32.500 -0.368 0.000 0.714 230 K HN 0.106 nan 8.250 nan 0.000 0.438 231 L N 0.652 121.999 121.223 0.206 0.000 2.042 231 L HA -0.218 4.122 4.340 0.000 0.000 0.210 231 L C 2.656 179.593 176.870 0.113 0.000 1.076 231 L CA 1.425 56.414 54.840 0.249 0.000 0.749 231 L CB -0.601 41.650 42.059 0.320 0.000 0.893 231 L HN 0.337 nan 8.230 nan 0.000 0.432 232 A N -0.329 122.571 122.820 0.133 0.000 1.902 232 A HA -0.197 4.123 4.320 0.000 0.000 0.217 232 A C 2.297 179.929 177.584 0.080 0.000 1.181 232 A CA 1.322 53.422 52.037 0.106 0.000 0.623 232 A CB -0.682 18.562 19.000 0.407 0.000 0.818 232 A HN 0.351 nan 8.150 nan 0.000 0.443 233 L N 0.333 121.598 121.223 0.070 0.000 1.989 233 L HA -0.158 4.182 4.340 0.000 0.000 0.211 233 L C 2.293 179.182 176.870 0.033 0.000 1.071 233 L CA 2.396 57.261 54.840 0.042 0.000 0.749 233 L CB -0.475 41.581 42.059 -0.004 0.000 0.890 233 L HN 0.699 nan 8.230 nan 0.000 0.431 234 I N -2.662 117.934 120.570 0.043 0.000 3.620 234 I HA 0.162 4.332 4.170 0.000 0.000 0.305 234 I C 1.177 177.318 176.117 0.039 0.000 1.243 234 I CA 0.680 62.010 61.300 0.050 0.000 1.196 234 I CB -0.884 37.170 38.000 0.089 0.000 1.004 234 I HN 0.405 nan 8.210 nan 0.000 0.487 235 G N 2.232 111.044 108.800 0.021 0.000 2.153 235 G HA2 -0.300 3.660 3.960 0.000 0.000 0.252 235 G HA3 -0.300 3.660 3.960 0.000 0.000 0.252 235 G C 0.412 175.293 174.900 -0.031 0.000 0.994 235 G CA 0.526 45.622 45.100 -0.007 0.000 0.698 235 G HN 0.800 nan 8.290 nan 0.000 0.521 236 T N -1.553 112.984 114.554 -0.028 0.000 3.466 236 T HA 0.608 4.958 4.350 0.000 0.000 0.297 236 T C -1.971 172.644 174.700 -0.142 0.000 1.640 236 T CA -1.120 60.950 62.100 -0.051 0.000 1.631 236 T CB 2.004 70.884 68.868 0.020 0.000 0.928 236 T HN 0.174 nan 8.240 nan 0.000 0.688 237 P HA 0.188 nan 4.420 nan 0.000 0.235 237 P C -0.193 176.637 177.300 -0.784 0.000 1.765 237 P CA 0.091 62.599 63.100 -0.987 0.000 1.034 237 P CB -0.186 30.842 31.700 -1.121 0.000 1.984 238 S N 2.222 117.778 115.700 -0.241 0.000 2.437 238 S HA 0.345 4.815 4.470 0.000 0.000 0.305 238 S C 1.370 176.134 174.600 0.272 0.000 1.109 238 S CA -0.703 57.507 58.200 0.017 0.000 1.099 238 S CB 0.564 63.785 63.200 0.035 0.000 1.004 238 S HN -0.049 nan 8.310 nan 0.000 0.475 239 M N 3.962 123.752 119.600 0.316 0.000 2.229 239 M HA 0.033 4.513 4.480 0.000 0.000 0.264 239 M C 2.003 178.485 176.300 0.304 0.000 1.063 239 M CA 1.321 56.847 55.300 0.376 0.000 1.114 239 M CB -1.239 31.544 32.600 0.306 0.000 1.387 239 M HN 0.730 nan 8.290 nan 0.000 0.420 240 R N 0.132 120.759 120.500 0.211 0.000 2.073 240 R HA -0.140 4.200 4.340 0.000 0.000 0.234 240 R C 2.187 178.624 176.300 0.229 0.000 1.134 240 R CA 1.323 57.534 56.100 0.186 0.000 0.952 240 R CB -0.005 30.351 30.300 0.093 0.000 0.850 240 R HN 0.243 nan 8.270 nan 0.000 0.433 241 E N 0.385 120.696 120.200 0.184 0.000 2.077 241 E HA -0.194 4.156 4.350 0.000 0.000 0.193 241 E C 1.930 178.701 176.600 0.284 0.000 0.989 241 E CA 0.880 57.385 56.400 0.176 0.000 0.800 241 E CB -0.292 29.505 29.700 0.161 0.000 0.746 241 E HN 0.171 nan 8.360 nan 0.000 0.452 242 L N 0.296 121.729 121.223 0.351 0.000 2.012 242 L HA -0.160 4.180 4.340 0.000 0.000 0.210 242 L C 2.263 179.316 176.870 0.304 0.000 1.073 242 L CA 1.619 56.683 54.840 0.374 0.000 0.748 242 L CB -0.764 41.554 42.059 0.432 0.000 0.891 242 L HN 0.086 nan 8.230 nan 0.000 0.431 243 F N -0.750 119.300 119.950 0.167 0.000 2.186 243 F HA -0.221 4.306 4.527 0.000 0.000 0.299 243 F C 2.588 178.435 175.800 0.078 0.000 1.090 243 F CA 1.808 59.875 58.000 0.111 0.000 1.307 243 F CB -0.275 38.789 39.000 0.107 0.000 1.019 243 F HN 0.446 nan 8.300 nan 0.000 0.489 244 H N -1.227 117.845 119.070 0.003 0.000 2.326 244 H HA -0.208 4.348 4.556 0.000 0.000 0.301 244 H C 2.052 177.229 175.328 -0.252 0.000 1.081 244 H CA 2.421 58.349 56.048 -0.201 0.000 1.334 244 H CB -1.018 28.588 29.762 -0.260 0.000 1.385 244 H HN 0.421 nan 8.280 nan 0.000 0.504 245 W N 0.559 121.595 121.300 -0.440 0.000 2.358 245 W HA -0.152 4.508 4.660 0.000 0.000 0.303 245 W C 2.665 178.981 176.519 -0.337 0.000 1.208 245 W CA 1.726 58.789 57.345 -0.469 0.000 1.274 245 W CB -0.195 29.056 29.460 -0.347 0.000 1.138 245 W HN 0.419 nan 8.180 nan 0.000 0.515 246 T N -4.336 110.205 114.554 -0.021 0.000 3.067 246 T HA -0.042 4.308 4.350 0.000 0.000 0.261 246 T C 1.324 175.874 174.700 -0.251 0.000 1.110 246 T CA 1.459 63.494 62.100 -0.108 0.000 1.113 246 T CB -0.347 68.489 68.868 -0.052 0.000 0.917 246 T HN 0.170 nan 8.240 nan 0.000 0.499 247 T N -2.234 112.076 114.554 -0.406 0.000 3.046 247 T HA 0.411 4.761 4.350 0.000 0.000 0.270 247 T C 1.306 175.776 174.700 -0.383 0.000 0.920 247 T CA -0.409 61.421 62.100 -0.451 0.000 0.874 247 T CB 0.155 68.619 68.868 -0.674 0.000 1.214 247 T HN 0.230 nan 8.240 nan 0.000 0.536 248 I N 1.663 122.001 120.570 -0.386 0.000 3.443 248 I HA 0.484 4.654 4.170 0.000 0.000 0.277 248 I C 1.658 177.627 176.117 -0.246 0.000 1.169 248 I CA 0.046 61.200 61.300 -0.243 0.000 1.419 248 I CB -1.238 36.716 38.000 -0.077 0.000 1.331 248 I HN 0.328 nan 8.210 nan 0.000 0.458 249 A N 2.539 125.064 122.820 -0.492 0.000 2.587 249 A HA 0.175 4.495 4.320 0.000 0.000 0.233 249 A C 0.947 178.470 177.584 -0.101 0.000 1.049 249 A CA 0.480 52.299 52.037 -0.363 0.000 0.754 249 A CB -0.534 18.216 19.000 -0.415 0.000 0.977 249 A HN 0.548 nan 8.150 nan 0.000 0.509 250 T N 0.213 114.757 114.554 -0.017 0.000 2.903 250 T HA 0.172 4.522 4.350 0.000 0.000 0.314 250 T C 0.879 175.650 174.700 0.118 0.000 1.078 250 T CA 0.244 62.375 62.100 0.052 0.000 1.114 250 T CB 0.065 68.967 68.868 0.057 0.000 0.987 250 T HN 0.453 nan 8.240 nan 0.000 0.548 251 F N 1.816 121.729 119.950 -0.061 0.000 2.063 251 F HA -0.174 4.353 4.527 0.000 0.000 0.298 251 F C 1.944 177.731 175.800 -0.021 0.000 1.105 251 F CA 2.438 60.399 58.000 -0.065 0.000 1.215 251 F CB -0.672 38.282 39.000 -0.077 0.000 0.972 251 F HN 0.676 nan 8.300 nan 0.000 0.483 252 D N -0.241 120.256 120.400 0.163 0.000 2.097 252 D HA -0.168 4.472 4.640 0.000 0.000 0.195 252 D C 1.998 178.342 176.300 0.074 0.000 0.989 252 D CA 1.571 55.625 54.000 0.089 0.000 0.827 252 D CB -0.686 40.170 40.800 0.093 0.000 0.966 252 D HN 0.275 nan 8.370 nan 0.000 0.456 253 D N 0.454 120.931 120.400 0.127 0.000 2.133 253 D HA -0.139 4.501 4.640 0.000 0.000 0.195 253 D C 2.255 178.707 176.300 0.254 0.000 0.997 253 D CA 0.369 54.509 54.000 0.234 0.000 0.840 253 D CB -0.339 40.642 40.800 0.302 0.000 0.947 253 D HN 0.187 nan 8.370 nan 0.000 0.452 254 L N 0.823 122.150 121.223 0.174 0.000 1.989 254 L HA -0.196 4.144 4.340 0.000 0.000 0.211 254 L C 2.659 179.479 176.870 -0.083 0.000 1.071 254 L CA 1.318 56.195 54.840 0.061 0.000 0.749 254 L CB -0.073 41.942 42.059 -0.073 0.000 0.890 254 L HN -0.031 nan 8.230 nan 0.000 0.431 255 R N -0.382 120.041 120.500 -0.129 0.000 2.103 255 R HA -0.188 4.152 4.340 0.000 0.000 0.242 255 R C 2.098 178.340 176.300 -0.097 0.000 1.142 255 R CA 1.455 57.478 56.100 -0.128 0.000 0.960 255 R CB -0.939 29.296 30.300 -0.109 0.000 0.858 255 R HN 0.559 nan 8.270 nan 0.000 0.439 256 G N 0.600 109.371 108.800 -0.049 0.000 2.433 256 G HA2 -0.300 3.660 3.960 0.000 0.000 0.216 256 G HA3 -0.300 3.660 3.960 0.000 0.000 0.216 256 G C 1.233 176.065 174.900 -0.113 0.000 1.186 256 G CA 0.445 45.521 45.100 -0.040 0.000 0.779 256 G HN 0.304 nan 8.290 nan 0.000 0.543 257 F N 1.220 120.941 119.950 -0.381 0.000 2.269 257 F HA 0.086 4.613 4.527 0.000 0.000 0.301 257 F C 2.263 177.801 175.800 -0.437 0.000 1.082 257 F CA 0.796 58.417 58.000 -0.631 0.000 1.360 257 F CB -0.071 38.023 39.000 -1.509 0.000 1.041 257 F HN 0.044 nan 8.300 nan 0.000 0.512 258 L N -0.174 120.790 121.223 -0.432 0.000 2.240 258 L HA -0.061 4.279 4.340 0.000 0.000 0.211 258 L C 0.773 177.446 176.870 -0.328 0.000 1.106 258 L CA 0.313 54.914 54.840 -0.399 0.000 0.793 258 L CB -0.682 41.263 42.059 -0.190 0.000 0.927 258 L HN -0.043 nan 8.230 nan 0.000 0.446 259 E N 0.490 120.538 120.200 -0.253 0.000 2.694 259 E HA 0.018 4.368 4.350 0.000 0.000 0.250 259 E C 1.025 177.495 176.600 -0.218 0.000 0.963 259 E CA 0.697 56.985 56.400 -0.186 0.000 0.949 259 E CB 0.164 29.784 29.700 -0.134 0.000 0.911 259 E HN 0.402 nan 8.360 nan 0.000 0.500 260 G N 2.818 111.513 108.800 -0.175 0.000 2.238 260 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 260 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 260 G C 0.460 175.252 174.900 -0.180 0.000 0.996 260 G CA 0.130 45.130 45.100 -0.167 0.000 0.632 260 G HN 0.677 nan 8.290 nan 0.000 0.503 261 T N -0.872 113.553 114.554 -0.215 0.000 2.936 261 T HA 0.703 5.053 4.350 0.000 0.000 0.282 261 T C 1.653 176.260 174.700 -0.155 0.000 1.003 261 T CA -0.198 61.780 62.100 -0.203 0.000 1.005 261 T CB 1.628 70.341 68.868 -0.259 0.000 1.097 261 T HN 0.262 nan 8.240 nan 0.000 0.532 262 L N 0.486 121.627 121.223 -0.137 0.000 2.265 262 L HA 0.021 4.361 4.340 0.000 0.000 0.215 262 L C 2.811 179.595 176.870 -0.144 0.000 1.117 262 L CA 1.255 56.024 54.840 -0.119 0.000 0.782 262 L CB -0.736 41.264 42.059 -0.099 0.000 0.914 262 L HN 0.917 nan 8.230 nan 0.000 0.441 263 A N -0.711 122.021 122.820 -0.147 0.000 2.238 263 A HA -0.100 4.220 4.320 0.000 0.000 0.208 263 A C 2.131 179.647 177.584 -0.114 0.000 1.177 263 A CA 0.445 52.388 52.037 -0.158 0.000 0.804 263 A CB -0.293 18.692 19.000 -0.025 0.000 0.823 263 A HN 0.445 nan 8.150 nan 0.000 0.482 264 E N 0.258 120.386 120.200 -0.121 0.000 2.021 264 E HA -0.198 4.152 4.350 0.000 0.000 0.200 264 E C 1.787 178.339 176.600 -0.079 0.000 1.015 264 E CA 1.899 58.238 56.400 -0.103 0.000 0.824 264 E CB -0.093 29.541 29.700 -0.110 0.000 0.762 264 E HN 0.522 nan 8.360 nan 0.000 0.454 265 S N 0.067 115.711 115.700 -0.093 0.000 2.458 265 S HA 0.082 4.552 4.470 0.000 0.000 0.223 265 S C 1.920 176.456 174.600 -0.107 0.000 1.019 265 S CA 0.027 58.180 58.200 -0.079 0.000 0.937 265 S CB -0.007 63.151 63.200 -0.070 0.000 0.788 265 S HN 0.239 nan 8.310 nan 0.000 0.511 266 L N 0.114 121.221 121.223 -0.193 0.000 2.081 266 L HA -0.085 4.255 4.340 0.000 0.000 0.212 266 L C 0.982 177.654 176.870 -0.331 0.000 1.080 266 L CA 1.442 56.094 54.840 -0.314 0.000 0.754 266 L CB -0.438 41.320 42.059 -0.502 0.000 0.893 266 L HN 0.325 nan 8.230 nan 0.000 0.433 267 F N -0.213 119.672 119.950 -0.109 0.000 2.798 267 F HA 0.432 4.959 4.527 0.000 0.000 0.291 267 F C 0.601 176.333 175.800 -0.113 0.000 1.174 267 F CA -0.592 57.325 58.000 -0.138 0.000 1.392 267 F CB 0.198 39.087 39.000 -0.186 0.000 0.966 267 F HN -0.017 nan 8.300 nan 0.000 0.509 268 A N -0.911 121.946 122.820 0.062 0.000 2.612 268 A HA 0.656 4.976 4.320 0.000 0.000 0.293 268 A C 0.501 178.097 177.584 0.020 0.000 1.075 268 A CA -0.009 52.053 52.037 0.042 0.000 0.680 268 A CB 0.983 19.995 19.000 0.019 0.000 1.279 268 A HN 0.452 nan 8.150 nan 0.000 0.411 269 G N -0.625 108.191 108.800 0.026 0.000 2.201 269 G HA2 0.294 4.254 3.960 0.000 0.000 0.212 269 G HA3 0.294 4.254 3.960 0.000 0.000 0.212 269 G C 0.320 175.232 174.900 0.020 0.000 0.994 269 G CA 0.764 45.873 45.100 0.016 0.000 0.644 269 G HN 2.713 nan 8.290 nan 0.000 0.508 270 S N -1.577 114.142 115.700 0.032 0.000 2.615 270 S HA 0.562 5.032 4.470 0.000 0.000 0.268 270 S C 0.523 175.150 174.600 0.043 0.000 1.146 270 S CA 0.154 58.373 58.200 0.031 0.000 0.818 270 S CB 0.735 63.950 63.200 0.025 0.000 1.111 270 S HN -0.008 nan 8.310 nan 0.000 0.465 271 N N 1.008 119.731 118.700 0.038 0.000 2.120 271 N HA -0.113 4.627 4.740 0.000 0.000 0.188 271 N C 1.504 177.045 175.510 0.052 0.000 1.024 271 N CA 1.791 54.866 53.050 0.042 0.000 0.852 271 N CB -0.632 37.874 38.487 0.032 0.000 1.003 271 N HN 0.801 nan 8.380 nan 0.000 0.424 272 E N 1.419 121.647 120.200 0.048 0.000 2.070 272 E HA -0.132 4.218 4.350 0.000 0.000 0.197 272 E C 1.823 178.446 176.600 0.038 0.000 1.004 272 E CA 1.628 58.059 56.400 0.051 0.000 0.805 272 E CB -0.457 29.273 29.700 0.049 0.000 0.744 272 E HN 0.319 nan 8.360 nan 0.000 0.451 273 A N -0.193 122.650 122.820 0.039 0.000 1.892 273 A HA -0.226 4.094 4.320 0.000 0.000 0.218 273 A C 2.481 180.132 177.584 0.112 0.000 1.188 273 A CA 2.249 54.319 52.037 0.055 0.000 0.631 273 A CB -0.913 18.119 19.000 0.053 0.000 0.822 273 A HN 0.315 nan 8.150 nan 0.000 0.447 274 S N -0.743 115.033 115.700 0.127 0.000 2.383 274 S HA -0.140 4.330 4.470 0.000 0.000 0.227 274 S C 1.996 176.703 174.600 0.180 0.000 1.026 274 S CA 1.479 59.812 58.200 0.222 0.000 0.981 274 S CB -0.225 63.104 63.200 0.214 0.000 0.818 274 S HN 0.679 nan 8.310 nan 0.000 0.472 275 K N 1.540 121.996 120.400 0.094 0.000 2.026 275 K HA -0.082 4.238 4.320 0.000 0.000 0.208 275 K C 2.257 178.893 176.600 0.060 0.000 1.048 275 K CA 1.241 57.574 56.287 0.077 0.000 0.929 275 K CB -0.385 32.167 32.500 0.088 0.000 0.713 275 K HN 0.286 nan 8.250 nan 0.000 0.439 276 A N 1.896 124.699 122.820 -0.027 0.000 1.908 276 A HA -0.183 4.137 4.320 0.000 0.000 0.218 276 A C 2.171 179.669 177.584 -0.142 0.000 1.181 276 A CA 1.401 53.276 52.037 -0.269 0.000 0.627 276 A CB -0.719 17.865 19.000 -0.693 0.000 0.818 276 A HN 0.445 nan 8.150 nan 0.000 0.445 277 L N -0.638 120.471 121.223 -0.189 0.000 2.046 277 L HA -0.162 4.178 4.340 0.000 0.000 0.208 277 L C 2.614 179.333 176.870 -0.252 0.000 1.077 277 L CA 2.201 56.658 54.840 -0.638 0.000 0.747 277 L CB -0.667 40.969 42.059 -0.705 0.000 0.896 277 L HN 0.410 nan 8.230 nan 0.000 0.432 278 T N -0.734 113.844 114.554 0.040 0.000 2.788 278 T HA -0.156 4.194 4.350 0.000 0.000 0.268 278 T C 2.026 176.701 174.700 -0.041 0.000 1.044 278 T CA 1.602 63.706 62.100 0.006 0.000 1.139 278 T CB -0.054 68.817 68.868 0.005 0.000 0.867 278 T HN 0.377 nan 8.240 nan 0.000 0.454 279 S N 1.368 117.094 115.700 0.043 0.000 2.356 279 S HA -0.057 4.413 4.470 0.000 0.000 0.223 279 S C 2.599 177.267 174.600 0.114 0.000 1.032 279 S CA 0.996 59.237 58.200 0.068 0.000 1.005 279 S CB -0.625 62.712 63.200 0.228 0.000 0.867 279 S HN 0.600 nan 8.310 nan 0.000 0.449 280 A N 2.578 125.455 122.820 0.095 0.000 1.883 280 A HA -0.181 4.139 4.320 0.000 0.000 0.217 280 A C 2.184 179.752 177.584 -0.027 0.000 1.186 280 A CA 1.354 53.430 52.037 0.065 0.000 0.624 280 A CB -0.546 18.415 19.000 -0.065 0.000 0.822 280 A HN 0.316 nan 8.150 nan 0.000 0.444 281 R N -1.269 119.143 120.500 -0.146 0.000 2.094 281 R HA -0.173 4.167 4.340 0.000 0.000 0.239 281 R C 2.010 178.227 176.300 -0.138 0.000 1.137 281 R CA 1.822 57.798 56.100 -0.207 0.000 0.943 281 R CB -1.145 28.960 30.300 -0.325 0.000 0.850 281 R HN 0.649 nan 8.270 nan 0.000 0.433 282 F N 0.739 120.642 119.950 -0.078 0.000 2.065 282 F HA -0.275 4.252 4.527 0.000 0.000 0.298 282 F C 2.724 178.500 175.800 -0.039 0.000 1.112 282 F CA 1.248 59.199 58.000 -0.082 0.000 1.212 282 F CB -0.564 38.340 39.000 -0.160 0.000 0.975 282 F HN -0.201 nan 8.300 nan 0.000 0.476 283 V N -0.038 119.984 119.914 0.179 0.000 2.231 283 V HA -0.334 3.786 4.120 0.000 0.000 0.248 283 V C 2.231 178.389 176.094 0.107 0.000 1.054 283 V CA 1.613 63.997 62.300 0.140 0.000 1.015 283 V CB -0.723 31.194 31.823 0.156 0.000 0.638 283 V HN 0.217 nan 8.190 nan 0.000 0.444 284 L N 0.964 122.232 121.223 0.075 0.000 2.131 284 L HA -0.121 4.219 4.340 0.000 0.000 0.210 284 L C 2.713 179.655 176.870 0.120 0.000 1.092 284 L CA 2.311 57.189 54.840 0.063 0.000 0.759 284 L CB -1.344 40.726 42.059 0.019 0.000 0.903 284 L HN 0.609 nan 8.230 nan 0.000 0.435 285 S N -1.824 113.939 115.700 0.104 0.000 2.447 285 S HA -0.135 4.335 4.470 0.000 0.000 0.233 285 S C 1.593 176.324 174.600 0.219 0.000 1.006 285 S CA 1.093 59.396 58.200 0.172 0.000 0.957 285 S CB -0.200 63.060 63.200 0.101 0.000 0.773 285 S HN 0.421 nan 8.310 nan 0.000 0.507 286 D N 1.104 121.602 120.400 0.163 0.000 2.201 286 D HA 0.098 4.738 4.640 0.000 0.000 0.209 286 D C 1.980 178.350 176.300 0.117 0.000 0.961 286 D CA 0.773 54.850 54.000 0.128 0.000 0.861 286 D CB 0.044 40.903 40.800 0.098 0.000 0.997 286 D HN 0.315 nan 8.370 nan 0.000 0.486 287 K N 0.773 121.242 120.400 0.115 0.000 2.044 287 K HA 0.110 4.430 4.320 0.000 0.000 0.204 287 K C 2.453 179.160 176.600 0.177 0.000 1.045 287 K CA 0.101 56.453 56.287 0.108 0.000 0.951 287 K CB -0.772 31.759 32.500 0.051 0.000 0.738 287 K HN 0.160 nan 8.250 nan 0.000 0.443 288 L N 1.314 122.636 121.223 0.165 0.000 2.043 288 L HA -0.193 4.147 4.340 0.000 0.000 0.212 288 L C -0.634 176.340 176.870 0.173 0.000 1.075 288 L CA 1.491 56.453 54.840 0.203 0.000 0.752 288 L CB -1.903 40.354 42.059 0.330 0.000 0.891 288 L HN 0.083 nan 8.230 nan 0.000 0.432 289 P HA -0.270 nan 4.420 nan 0.000 0.218 289 P C 1.313 178.575 177.300 -0.063 0.000 1.132 289 P CA 1.714 64.746 63.100 -0.114 0.000 0.968 289 P CB -0.036 31.666 31.700 0.002 0.000 0.783 290 E N -2.146 118.059 120.200 0.010 0.000 2.268 290 E HA -0.181 4.169 4.350 0.000 0.000 0.195 290 E C 2.054 178.629 176.600 -0.041 0.000 0.995 290 E CA 0.950 57.338 56.400 -0.019 0.000 0.836 290 E CB -0.788 28.874 29.700 -0.063 0.000 0.763 290 E HN 0.536 nan 8.360 nan 0.000 0.491 291 H N -0.235 118.837 119.070 0.003 0.000 2.357 291 H HA -0.028 4.528 4.556 0.000 0.000 0.301 291 H C 2.216 177.594 175.328 0.082 0.000 1.082 291 H CA 1.199 57.300 56.048 0.089 0.000 1.342 291 H CB 0.223 30.048 29.762 0.105 0.000 1.389 291 H HN 0.003 nan 8.280 nan 0.000 0.511 292 V N 0.951 120.934 119.914 0.115 0.000 2.307 292 V HA -0.201 3.919 4.120 0.000 0.000 0.245 292 V C 2.607 178.699 176.094 -0.003 0.000 1.045 292 V CA 2.205 64.516 62.300 0.018 0.000 1.024 292 V CB -0.820 30.877 31.823 -0.210 0.000 0.651 292 V HN 0.577 nan 8.190 nan 0.000 0.449 293 T N -2.692 111.834 114.554 -0.045 0.000 3.227 293 T HA 0.043 4.393 4.350 0.000 0.000 0.257 293 T C 0.724 175.387 174.700 -0.060 0.000 1.162 293 T CA 0.248 62.313 62.100 -0.058 0.000 1.051 293 T CB -0.322 68.504 68.868 -0.070 0.000 0.953 293 T HN 0.116 nan 8.240 nan 0.000 0.535 294 M N 2.760 122.373 119.600 0.021 0.000 2.188 294 M HA 0.346 4.826 4.480 0.000 0.000 0.354 294 M C -2.462 173.891 176.300 0.089 0.000 1.342 294 M CA -2.495 52.854 55.300 0.082 0.000 1.117 294 M CB 0.854 33.599 32.600 0.242 0.000 1.670 294 M HN -0.037 nan 8.290 nan 0.000 0.466 295 P HA -0.018 nan 4.420 nan 0.000 0.264 295 P C -0.564 176.800 177.300 0.106 0.000 1.183 295 P CA 0.229 63.361 63.100 0.053 0.000 0.763 295 P CB 0.432 32.149 31.700 0.029 0.000 0.807 296 D N 1.261 121.712 120.400 0.084 0.000 2.339 296 D HA 0.491 5.131 4.640 0.000 0.000 0.245 296 D C 0.523 176.882 176.300 0.098 0.000 1.115 296 D CA 0.606 54.663 54.000 0.095 0.000 0.917 296 D CB 1.290 42.126 40.800 0.060 0.000 1.192 296 D HN 0.474 nan 8.370 nan 0.000 0.428 297 G N 0.329 109.197 108.800 0.114 0.000 2.430 297 G HA2 0.171 4.131 3.960 0.000 0.000 0.300 297 G HA3 0.171 4.131 3.960 0.000 0.000 0.300 297 G C -0.867 174.107 174.900 0.124 0.000 1.330 297 G CA -0.538 44.636 45.100 0.124 0.000 0.813 297 G HN 0.433 nan 8.290 nan 0.000 0.487 298 D N -1.017 119.464 120.400 0.135 0.000 2.424 298 D HA 0.199 4.839 4.640 0.000 0.000 0.220 298 D C 0.265 176.659 176.300 0.157 0.000 1.150 298 D CA -0.680 53.381 54.000 0.102 0.000 0.831 298 D CB -0.025 40.809 40.800 0.057 0.000 0.981 298 D HN 0.190 nan 8.370 nan 0.000 0.500 299 F N 1.916 121.943 119.950 0.128 0.000 2.572 299 F HA 0.291 4.818 4.527 0.000 0.000 0.370 299 F C 0.185 176.141 175.800 0.260 0.000 1.103 299 F CA 0.110 58.211 58.000 0.168 0.000 1.286 299 F CB 0.982 40.071 39.000 0.147 0.000 1.105 299 F HN -0.096 nan 8.300 nan 0.000 0.583 300 S N 6.893 122.212 115.700 -0.636 0.000 2.707 300 S HA 0.391 4.861 4.470 0.000 0.000 0.303 300 S C 0.877 175.176 174.600 -0.502 0.000 1.132 300 S CA -0.857 57.162 58.200 -0.301 0.000 1.046 300 S CB 0.557 63.665 63.200 -0.154 0.000 1.004 300 S HN 0.726 nan 8.310 nan 0.000 0.483 301 I N 4.439 124.937 120.570 -0.120 0.000 2.335 301 I HA -0.199 3.971 4.170 0.000 0.000 0.251 301 I C 2.613 178.828 176.117 0.163 0.000 1.129 301 I CA 1.056 62.390 61.300 0.057 0.000 1.402 301 I CB -0.179 37.913 38.000 0.153 0.000 1.069 301 I HN 0.652 nan 8.210 nan 0.000 0.424 302 R N 0.408 120.960 120.500 0.085 0.000 2.070 302 R HA -0.110 4.230 4.340 0.000 0.000 0.232 302 R C 2.553 178.885 176.300 0.053 0.000 1.138 302 R CA 1.820 57.974 56.100 0.091 0.000 0.936 302 R CB -0.517 29.812 30.300 0.049 0.000 0.839 302 R HN 0.256 nan 8.270 nan 0.000 0.429 303 S N 0.472 116.164 115.700 -0.014 0.000 2.359 303 S HA -0.209 4.261 4.470 0.000 0.000 0.224 303 S C 1.409 176.013 174.600 0.007 0.000 1.035 303 S CA 1.380 59.563 58.200 -0.028 0.000 1.018 303 S CB -0.441 62.716 63.200 -0.072 0.000 0.876 303 S HN 0.486 nan 8.310 nan 0.000 0.448 304 W N 2.428 123.609 121.300 -0.198 0.000 2.321 304 W HA -0.130 4.530 4.660 -0.000 0.000 0.306 304 W C 1.623 178.138 176.519 -0.008 0.000 1.217 304 W CA 1.184 58.470 57.345 -0.098 0.000 1.257 304 W CB -0.488 28.918 29.460 -0.090 0.000 1.145 304 W HN 0.204 nan 8.180 nan 0.000 0.509 305 L N 0.257 121.491 121.223 0.019 0.000 2.131 305 L HA -0.183 4.157 4.340 0.000 0.000 0.210 305 L C 2.299 179.052 176.870 -0.196 0.000 1.092 305 L CA 1.695 56.432 54.840 -0.172 0.000 0.759 305 L CB -0.766 41.329 42.059 0.060 0.000 0.903 305 L HN 0.051 nan 8.230 nan 0.000 0.435 306 E N -0.729 119.406 120.200 -0.108 0.000 2.216 306 E HA -0.135 4.215 4.350 0.000 0.000 0.192 306 E C 0.482 177.014 176.600 -0.113 0.000 0.988 306 E CA 0.195 56.543 56.400 -0.087 0.000 0.834 306 E CB 0.045 29.720 29.700 -0.041 0.000 0.772 306 E HN 0.239 nan 8.360 nan 0.000 0.479 307 D N 0.903 121.214 120.400 -0.148 0.000 2.374 307 D HA 0.026 4.666 4.640 0.000 0.000 0.240 307 D C -1.881 174.309 176.300 -0.182 0.000 1.229 307 D CA -2.333 51.589 54.000 -0.129 0.000 0.895 307 D CB 1.214 41.962 40.800 -0.086 0.000 1.046 307 D HN -0.179 nan 8.370 nan 0.000 0.498 308 P HA -0.111 nan 4.420 nan 0.000 0.215 308 P C 0.852 178.093 177.300 -0.098 0.000 1.153 308 P CA 0.827 63.856 63.100 -0.118 0.000 0.853 308 P CB 0.242 31.899 31.700 -0.072 0.000 0.788 309 N N -0.475 118.190 118.700 -0.059 0.000 2.520 309 N HA -0.035 4.705 4.740 0.000 0.000 0.185 309 N C 1.227 176.736 175.510 -0.003 0.000 1.068 309 N CA 0.702 53.740 53.050 -0.019 0.000 0.911 309 N CB -0.618 37.871 38.487 0.003 0.000 0.961 309 N HN 0.151 nan 8.380 nan 0.000 0.446 310 G N -0.351 108.412 108.800 -0.062 0.000 2.554 310 G HA2 0.362 4.322 3.960 0.000 0.000 0.238 310 G HA3 0.362 4.322 3.960 0.000 0.000 0.238 310 G C 0.781 175.709 174.900 0.046 0.000 1.259 310 G CA -0.005 45.085 45.100 -0.016 0.000 0.843 310 G HN 0.180 nan 8.290 nan 0.000 0.582 311 G N 0.261 109.234 108.800 0.289 0.000 2.928 311 G HA2 0.338 4.298 3.960 0.000 0.000 0.163 311 G HA3 0.338 4.298 3.960 0.000 0.000 0.163 311 G C 0.078 175.252 174.900 0.456 0.000 1.573 311 G CA -0.651 44.634 45.100 0.309 0.000 1.084 311 G HN 0.599 nan 8.290 nan 0.000 0.569 312 N N -0.373 118.622 118.700 0.492 0.000 2.430 312 N HA 0.368 5.108 4.740 0.000 0.000 0.298 312 N C -1.204 174.556 175.510 0.417 0.000 1.130 312 N CA -0.468 52.877 53.050 0.492 0.000 0.894 312 N CB 2.446 41.084 38.487 0.253 0.000 1.209 312 N HN 0.223 nan 8.380 nan 0.000 0.503 313 L N 1.934 123.252 121.223 0.160 0.000 2.272 313 L HA 0.467 4.807 4.340 0.000 0.000 0.289 313 L C -1.218 175.491 176.870 -0.268 0.000 1.032 313 L CA -0.617 54.066 54.840 -0.262 0.000 0.810 313 L CB 0.238 41.806 42.059 -0.818 0.000 1.205 313 L HN 0.373 nan 8.230 nan 0.000 0.422 314 F N 5.680 125.545 119.950 -0.141 0.000 2.388 314 F HA 0.417 4.944 4.527 0.000 0.000 0.358 314 F C 0.299 176.034 175.800 -0.108 0.000 1.122 314 F CA -0.422 57.537 58.000 -0.069 0.000 1.056 314 F CB 1.259 40.232 39.000 -0.044 0.000 1.155 314 F HN 0.236 nan 8.300 nan 0.000 0.461 315 I N 4.055 124.684 120.570 0.098 0.000 2.287 315 I HA 0.232 4.402 4.170 0.000 0.000 0.290 315 I C 0.233 176.564 176.117 0.356 0.000 1.069 315 I CA -0.248 61.136 61.300 0.141 0.000 1.237 315 I CB 0.617 38.733 38.000 0.192 0.000 1.418 315 I HN 0.596 nan 8.210 nan 0.000 0.481 316 T N 2.238 116.986 114.554 0.322 0.000 2.950 316 T HA 0.786 5.136 4.350 0.000 0.000 0.288 316 T C -0.990 174.005 174.700 0.491 0.000 1.035 316 T CA -0.663 61.607 62.100 0.284 0.000 1.028 316 T CB 2.112 71.052 68.868 0.121 0.000 1.109 316 T HN 0.672 nan 8.240 nan 0.000 0.514 317 W N -0.615 120.728 121.300 0.072 0.000 3.173 317 W HA 0.619 5.279 4.660 0.000 0.000 0.313 317 W C -1.826 174.633 176.519 -0.100 0.000 1.228 317 W CA -1.242 56.115 57.345 0.021 0.000 1.185 317 W CB 0.765 30.257 29.460 0.053 0.000 1.390 317 W HN 0.789 nan 8.180 nan 0.000 0.568 318 R N 2.257 122.690 120.500 -0.112 0.000 2.308 318 R HA 0.184 4.524 4.340 0.000 0.000 0.305 318 R C 1.074 177.350 176.300 -0.042 0.000 1.053 318 R CA -0.450 55.487 56.100 -0.272 0.000 0.957 318 R CB 1.333 31.383 30.300 -0.418 0.000 1.022 318 R HN 0.727 nan 8.270 nan 0.000 0.461 319 E N 1.605 121.738 120.200 -0.112 0.000 2.136 319 E HA -0.296 4.054 4.350 0.000 0.000 0.202 319 E C 1.152 177.796 176.600 0.074 0.000 1.019 319 E CA 1.975 58.401 56.400 0.044 0.000 0.819 319 E CB 0.059 29.742 29.700 -0.029 0.000 0.739 319 E HN 0.665 nan 8.360 nan 0.000 0.458 320 D N -0.220 120.175 120.400 -0.007 0.000 2.350 320 D HA -0.173 4.467 4.640 0.000 0.000 0.216 320 D C 1.425 177.717 176.300 -0.014 0.000 0.968 320 D CA 0.968 54.958 54.000 -0.017 0.000 0.894 320 D CB -0.135 40.635 40.800 -0.050 0.000 0.909 320 D HN 0.266 nan 8.370 nan 0.000 0.520 321 M N -0.281 119.323 119.600 0.007 0.000 2.356 321 M HA 0.306 4.786 4.480 0.000 0.000 0.262 321 M C 1.842 178.154 176.300 0.021 0.000 1.097 321 M CA 0.058 55.343 55.300 -0.024 0.000 0.991 321 M CB 1.204 33.734 32.600 -0.116 0.000 1.450 321 M HN 0.070 nan 8.290 nan 0.000 0.495 322 G N 2.942 111.807 108.800 0.108 0.000 2.553 322 G HA2 -0.209 3.751 3.960 0.000 0.000 0.218 322 G HA3 -0.209 3.751 3.960 0.000 0.000 0.218 322 G C -0.629 174.207 174.900 -0.107 0.000 1.195 322 G CA 0.865 45.972 45.100 0.013 0.000 0.779 322 G HN 0.318 nan 8.290 nan 0.000 0.577 323 P HA -0.066 nan 4.420 nan 0.000 0.218 323 P C 1.924 179.183 177.300 -0.068 0.000 1.148 323 P CA 1.943 65.009 63.100 -0.056 0.000 0.822 323 P CB -0.153 31.533 31.700 -0.025 0.000 0.784 324 A N 0.146 122.929 122.820 -0.062 0.000 1.898 324 A HA -0.055 4.265 4.320 0.000 0.000 0.216 324 A C 2.232 179.772 177.584 -0.073 0.000 1.181 324 A CA 1.100 53.107 52.037 -0.050 0.000 0.620 324 A CB -1.345 17.630 19.000 -0.042 0.000 0.819 324 A HN 0.170 nan 8.150 nan 0.000 0.442 325 L N -1.037 120.111 121.223 -0.126 0.000 2.611 325 L HA 0.136 4.476 4.340 0.000 0.000 0.229 325 L C 2.261 178.958 176.870 -0.287 0.000 1.137 325 L CA -0.015 54.714 54.840 -0.186 0.000 0.901 325 L CB -0.273 41.683 42.059 -0.171 0.000 1.098 325 L HN 0.428 nan 8.230 nan 0.000 0.456 326 R N 1.707 122.062 120.500 -0.242 0.000 2.094 326 R HA -0.153 4.187 4.340 0.000 0.000 0.239 326 R C -0.439 175.745 176.300 -0.193 0.000 1.137 326 R CA 1.952 57.912 56.100 -0.234 0.000 0.943 326 R CB -0.972 29.239 30.300 -0.149 0.000 0.850 326 R HN 0.219 nan 8.270 nan 0.000 0.433 327 P HA -0.165 nan 4.420 nan 0.000 0.221 327 P C 1.500 178.706 177.300 -0.157 0.000 1.150 327 P CA 1.150 64.194 63.100 -0.093 0.000 0.800 327 P CB -0.064 31.624 31.700 -0.020 0.000 0.787 328 L N -0.662 120.365 121.223 -0.327 0.000 2.068 328 L HA -0.018 4.322 4.340 0.000 0.000 0.204 328 L C 2.621 179.030 176.870 -0.768 0.000 1.076 328 L CA 1.073 55.499 54.840 -0.690 0.000 0.753 328 L CB -0.481 41.072 42.059 -0.844 0.000 0.910 328 L HN -0.182 nan 8.230 nan 0.000 0.439 329 I N -0.647 119.624 120.570 -0.498 0.000 2.286 329 I HA -0.279 3.891 4.170 0.000 0.000 0.248 329 I C 2.433 178.478 176.117 -0.121 0.000 1.115 329 I CA 1.098 62.254 61.300 -0.241 0.000 1.392 329 I CB -0.200 37.611 38.000 -0.315 0.000 1.065 329 I HN 0.189 nan 8.210 nan 0.000 0.418 330 S N 0.641 116.254 115.700 -0.146 0.000 2.423 330 S HA -0.076 4.394 4.470 0.000 0.000 0.231 330 S C 2.164 176.764 174.600 -0.000 0.000 1.014 330 S CA 1.121 59.292 58.200 -0.048 0.000 0.965 330 S CB -0.175 62.994 63.200 -0.053 0.000 0.785 330 S HN 0.543 nan 8.310 nan 0.000 0.495 331 A N 1.073 123.857 122.820 -0.061 0.000 1.874 331 A HA -0.023 4.297 4.320 0.000 0.000 0.214 331 A C 1.827 179.477 177.584 0.109 0.000 1.189 331 A CA 0.767 52.825 52.037 0.034 0.000 0.615 331 A CB -0.763 18.272 19.000 0.059 0.000 0.830 331 A HN 0.581 nan 8.150 nan 0.000 0.443 332 W N 0.323 121.582 121.300 -0.069 0.000 2.335 332 W HA -0.126 4.534 4.660 0.000 0.000 0.311 332 W C 2.327 178.826 176.519 -0.033 0.000 1.213 332 W CA 1.262 58.512 57.345 -0.158 0.000 1.274 332 W CB -1.320 27.975 29.460 -0.275 0.000 1.148 332 W HN 0.183 nan 8.180 nan 0.000 0.498 333 V N 0.327 120.381 119.914 0.234 0.000 2.343 333 V HA -0.305 3.815 4.120 0.000 0.000 0.247 333 V C 1.823 178.016 176.094 0.166 0.000 1.051 333 V CA 2.442 64.847 62.300 0.175 0.000 1.036 333 V CB -1.096 30.814 31.823 0.144 0.000 0.654 333 V HN 0.041 nan 8.190 nan 0.000 0.451 334 D N -0.360 120.138 120.400 0.164 0.000 2.144 334 D HA -0.140 4.500 4.640 0.000 0.000 0.200 334 D C 2.027 178.452 176.300 0.209 0.000 0.978 334 D CA 1.110 55.205 54.000 0.158 0.000 0.833 334 D CB 0.038 40.920 40.800 0.137 0.000 0.961 334 D HN 0.194 nan 8.370 nan 0.000 0.470 335 V N -0.082 120.009 119.914 0.294 0.000 2.287 335 V HA -0.248 3.872 4.120 0.000 0.000 0.248 335 V C 2.528 178.821 176.094 0.331 0.000 1.053 335 V CA 1.363 63.918 62.300 0.425 0.000 1.027 335 V CB -0.456 31.640 31.823 0.455 0.000 0.646 335 V HN 0.190 nan 8.190 nan 0.000 0.447 336 V N -1.131 118.931 119.914 0.247 0.000 2.332 336 V HA -0.315 3.805 4.120 0.000 0.000 0.248 336 V C 2.524 178.723 176.094 0.175 0.000 1.055 336 V CA 2.253 64.682 62.300 0.215 0.000 1.038 336 V CB -0.797 31.139 31.823 0.187 0.000 0.651 336 V HN 0.656 nan 8.190 nan 0.000 0.450 337 C N -0.008 119.380 119.300 0.147 0.000 2.432 337 C HA -0.150 4.310 4.460 0.000 0.000 0.277 337 C C 2.971 178.012 174.990 0.086 0.000 1.249 337 C CA 1.840 60.915 59.018 0.095 0.000 1.725 337 C CB -1.210 26.575 27.740 0.076 0.000 2.028 337 C HN 0.681 nan 8.230 nan 0.000 0.477 338 T N 0.071 114.686 114.554 0.101 0.000 2.851 338 T HA -0.092 4.258 4.350 0.000 0.000 0.262 338 T C 1.947 176.714 174.700 0.111 0.000 1.043 338 T CA 1.531 63.668 62.100 0.063 0.000 1.140 338 T CB -0.373 68.476 68.868 -0.032 0.000 0.872 338 T HN 0.492 nan 8.240 nan 0.000 0.446 339 S N 2.198 118.016 115.700 0.197 0.000 2.387 339 S HA -0.118 4.352 4.470 0.000 0.000 0.230 339 S C 2.163 176.852 174.600 0.149 0.000 1.035 339 S CA 1.482 59.818 58.200 0.225 0.000 1.014 339 S CB -0.614 62.758 63.200 0.287 0.000 0.836 339 S HN 0.735 nan 8.310 nan 0.000 0.466 340 I N -0.637 120.006 120.570 0.121 0.000 2.567 340 I HA -0.033 4.137 4.170 0.000 0.000 0.257 340 I C 1.568 177.718 176.117 0.055 0.000 1.184 340 I CA 1.138 62.484 61.300 0.078 0.000 1.451 340 I CB -0.481 37.555 38.000 0.059 0.000 1.089 340 I HN 0.054 nan 8.210 nan 0.000 0.441 341 L N 0.445 121.703 121.223 0.060 0.000 2.551 341 L HA 0.018 4.358 4.340 0.000 0.000 0.228 341 L C 2.073 178.975 176.870 0.053 0.000 1.153 341 L CA 1.260 56.126 54.840 0.043 0.000 0.851 341 L CB -0.809 41.273 42.059 0.038 0.000 0.959 341 L HN 0.299 nan 8.230 nan 0.000 0.451 342 S N -1.704 114.042 115.700 0.077 0.000 2.512 342 S HA 0.282 4.752 4.470 0.000 0.000 0.216 342 S C 0.769 175.405 174.600 0.059 0.000 1.006 342 S CA -0.456 57.795 58.200 0.085 0.000 0.915 342 S CB 0.246 63.524 63.200 0.131 0.000 0.824 342 S HN 0.127 nan 8.310 nan 0.000 0.497 343 L N 3.881 125.132 121.223 0.046 0.000 2.506 343 L HA 0.127 4.467 4.340 0.000 0.000 0.281 343 L C -1.746 175.131 176.870 0.011 0.000 1.228 343 L CA -1.156 53.697 54.840 0.023 0.000 0.850 343 L CB -0.201 41.864 42.059 0.008 0.000 1.110 343 L HN 0.110 nan 8.230 nan 0.000 0.496 344 P HA -0.005 nan 4.420 nan 0.000 0.272 344 P C -0.657 176.636 177.300 -0.012 0.000 1.230 344 P CA -0.512 62.586 63.100 -0.003 0.000 0.788 344 P CB 0.548 32.244 31.700 -0.005 0.000 0.949 345 E N 1.063 121.255 120.200 -0.012 0.000 2.562 345 E HA -0.047 4.303 4.350 0.000 0.000 0.241 345 E C -0.681 175.905 176.600 -0.023 0.000 1.136 345 E CA 0.841 57.230 56.400 -0.018 0.000 0.952 345 E CB -0.672 29.019 29.700 -0.016 0.000 0.975 345 E HN 0.273 nan 8.360 nan 0.000 0.494 346 E N 4.604 124.786 120.200 -0.030 0.000 2.528 346 E HA 0.250 4.600 4.350 0.000 0.000 0.277 346 E C -2.162 174.413 176.600 -0.042 0.000 0.980 346 E CA -1.601 54.779 56.400 -0.035 0.000 0.796 346 E CB 1.152 30.829 29.700 -0.037 0.000 1.427 346 E HN 0.338 nan 8.360 nan 0.000 0.394 347 P HA -0.153 nan 4.420 nan 0.000 0.216 347 P C 0.541 177.811 177.300 -0.050 0.000 1.150 347 P CA 1.024 64.097 63.100 -0.045 0.000 0.837 347 P CB 0.304 31.981 31.700 -0.038 0.000 0.786 348 K N -0.891 119.483 120.400 -0.044 0.000 2.504 348 K HA -0.029 4.291 4.320 0.000 0.000 0.195 348 K C 1.114 177.684 176.600 -0.050 0.000 1.036 348 K CA 0.027 56.288 56.287 -0.043 0.000 0.984 348 K CB -0.066 32.414 32.500 -0.033 0.000 0.788 348 K HN 0.114 nan 8.250 nan 0.000 0.488 349 R N 1.598 122.063 120.500 -0.060 0.000 2.543 349 R HA 0.096 4.436 4.340 0.000 0.000 0.277 349 R C -0.647 175.597 176.300 -0.092 0.000 1.074 349 R CA 0.273 56.331 56.100 -0.071 0.000 1.076 349 R CB 0.510 30.766 30.300 -0.074 0.000 0.993 349 R HN -0.025 nan 8.270 nan 0.000 0.459 350 R N 4.772 125.217 120.500 -0.091 0.000 2.539 350 R HA 0.317 4.657 4.340 0.000 0.000 0.295 350 R C -1.338 174.891 176.300 -0.118 0.000 1.138 350 R CA -0.581 55.434 56.100 -0.142 0.000 0.936 350 R CB 1.442 31.694 30.300 -0.081 0.000 1.182 350 R HN 0.458 nan 8.270 nan 0.000 0.459 351 L N 3.772 124.883 121.223 -0.186 0.000 2.343 351 L HA 0.517 4.857 4.340 0.000 0.000 0.278 351 L C -1.260 175.526 176.870 -0.140 0.000 0.996 351 L CA -0.727 54.070 54.840 -0.072 0.000 0.831 351 L CB 1.205 43.245 42.059 -0.031 0.000 1.232 351 L HN 0.575 nan 8.230 nan 0.000 0.413 352 W N 5.375 126.684 121.300 0.016 0.000 2.376 352 W HA 0.480 5.140 4.660 0.000 0.000 0.322 352 W C -0.298 176.188 176.519 -0.056 0.000 1.160 352 W CA -0.326 56.969 57.345 -0.084 0.000 1.218 352 W CB 1.221 30.610 29.460 -0.118 0.000 1.205 352 W HN 0.232 nan 8.180 nan 0.000 0.559 353 L N 4.187 125.454 121.223 0.074 0.000 2.353 353 L HA 0.429 4.769 4.340 0.000 0.000 0.270 353 L C -1.507 175.379 176.870 0.027 0.000 1.003 353 L CA -0.783 54.115 54.840 0.097 0.000 0.862 353 L CB 0.191 42.293 42.059 0.072 0.000 1.221 353 L HN 0.298 nan 8.230 nan 0.000 0.430 354 F N 5.382 125.452 119.950 0.199 0.000 2.404 354 F HA 0.402 4.929 4.527 0.000 0.000 0.358 354 F C 0.402 176.297 175.800 0.158 0.000 1.120 354 F CA -0.221 57.882 58.000 0.171 0.000 1.144 354 F CB 1.032 40.096 39.000 0.107 0.000 1.133 354 F HN 0.238 nan 8.300 nan 0.000 0.495 355 I N 4.813 125.572 120.570 0.315 0.000 2.405 355 I HA 0.112 4.283 4.170 0.000 0.000 0.280 355 I C 0.836 177.099 176.117 0.243 0.000 1.027 355 I CA -0.511 60.944 61.300 0.259 0.000 1.161 355 I CB 1.146 39.272 38.000 0.211 0.000 1.300 355 I HN 0.594 nan 8.210 nan 0.000 0.463 356 D N 4.728 125.275 120.400 0.245 0.000 2.116 356 D HA -0.240 4.400 4.640 0.000 0.000 0.193 356 D C 0.587 176.983 176.300 0.160 0.000 0.998 356 D CA 1.639 55.756 54.000 0.194 0.000 0.836 356 D CB 0.393 41.300 40.800 0.178 0.000 0.951 356 D HN 0.448 nan 8.370 nan 0.000 0.449 357 E N -0.710 119.593 120.200 0.173 0.000 2.460 357 E HA 0.211 4.561 4.350 0.000 0.000 0.249 357 E C 0.342 177.017 176.600 0.125 0.000 0.962 357 E CA -0.497 55.981 56.400 0.131 0.000 0.787 357 E CB 0.804 30.584 29.700 0.133 0.000 1.341 357 E HN 0.009 nan 8.360 nan 0.000 0.407 358 L N 3.613 124.896 121.223 0.101 0.000 2.081 358 L HA -0.063 4.277 4.340 0.000 0.000 0.212 358 L C 1.739 178.694 176.870 0.141 0.000 1.080 358 L CA 2.674 57.581 54.840 0.113 0.000 0.754 358 L CB -0.323 41.766 42.059 0.050 0.000 0.893 358 L HN 0.623 nan 8.230 nan 0.000 0.433 359 A N -2.377 120.509 122.820 0.110 0.000 2.119 359 A HA -0.035 4.285 4.320 0.000 0.000 0.216 359 A C 2.248 179.883 177.584 0.085 0.000 1.152 359 A CA 1.266 53.374 52.037 0.117 0.000 0.708 359 A CB -0.479 18.571 19.000 0.083 0.000 0.805 359 A HN 0.463 nan 8.150 nan 0.000 0.460 360 S N -0.409 115.338 115.700 0.079 0.000 2.562 360 S HA 0.268 4.738 4.470 0.000 0.000 0.221 360 S C 0.669 175.273 174.600 0.006 0.000 0.975 360 S CA -0.010 58.219 58.200 0.048 0.000 0.918 360 S CB -0.266 62.980 63.200 0.076 0.000 0.772 360 S HN 0.461 nan 8.310 nan 0.000 0.531 361 L N 1.007 122.248 121.223 0.030 0.000 2.440 361 L HA 0.407 4.747 4.340 0.000 0.000 0.262 361 L C 0.834 177.691 176.870 -0.022 0.000 1.072 361 L CA -0.817 54.022 54.840 -0.003 0.000 0.798 361 L CB 0.452 42.540 42.059 0.049 0.000 1.307 361 L HN 0.105 nan 8.230 nan 0.000 0.475 362 E N 0.089 120.258 120.200 -0.051 0.000 2.602 362 E HA 0.119 4.469 4.350 0.000 0.000 0.255 362 E C -0.612 175.869 176.600 -0.199 0.000 1.268 362 E CA -0.723 55.612 56.400 -0.109 0.000 1.007 362 E CB 0.640 30.291 29.700 -0.082 0.000 1.208 362 E HN 0.272 nan 8.360 nan 0.000 0.584 363 K N 1.870 122.065 120.400 -0.342 0.000 2.237 363 K HA 0.095 4.415 4.320 0.000 0.000 0.283 363 K C -0.433 176.065 176.600 -0.170 0.000 1.080 363 K CA -0.084 55.836 56.287 -0.611 0.000 0.965 363 K CB -0.362 31.833 32.500 -0.509 0.000 1.098 363 K HN 0.295 nan 8.250 nan 0.000 0.434 364 L N 3.879 125.137 121.223 0.058 0.000 2.410 364 L HA 0.026 4.366 4.340 0.000 0.000 0.273 364 L C 1.473 178.429 176.870 0.143 0.000 1.144 364 L CA -0.344 54.579 54.840 0.138 0.000 0.863 364 L CB 1.001 43.178 42.059 0.197 0.000 1.140 364 L HN 0.752 nan 8.230 nan 0.000 0.463 365 A N 2.318 125.187 122.820 0.081 0.000 2.066 365 A HA -0.069 4.251 4.320 0.000 0.000 0.218 365 A C 1.905 179.525 177.584 0.060 0.000 1.157 365 A CA 1.436 53.511 52.037 0.063 0.000 0.670 365 A CB -0.075 18.946 19.000 0.035 0.000 0.804 365 A HN 0.768 nan 8.150 nan 0.000 0.453 366 S N -1.080 114.660 115.700 0.065 0.000 2.540 366 S HA 0.231 4.701 4.470 0.000 0.000 0.222 366 S C 1.446 176.069 174.600 0.037 0.000 1.008 366 S CA -0.217 58.009 58.200 0.044 0.000 0.939 366 S CB -0.024 63.199 63.200 0.039 0.000 0.865 366 S HN 0.469 nan 8.310 nan 0.000 0.499 367 L N 1.964 123.223 121.223 0.060 0.000 2.013 367 L HA -0.243 4.097 4.340 0.000 0.000 0.212 367 L C 2.642 179.487 176.870 -0.041 0.000 1.073 367 L CA 1.850 56.704 54.840 0.022 0.000 0.753 367 L CB -0.687 41.413 42.059 0.070 0.000 0.890 367 L HN 0.425 nan 8.230 nan 0.000 0.432 368 A N -0.222 122.589 122.820 -0.015 0.000 1.859 368 A HA -0.296 4.024 4.320 0.000 0.000 0.217 368 A C 1.904 179.456 177.584 -0.053 0.000 1.198 368 A CA 2.191 54.203 52.037 -0.043 0.000 0.629 368 A CB -0.850 18.146 19.000 -0.007 0.000 0.830 368 A HN 0.509 nan 8.150 nan 0.000 0.446 369 D N -0.163 120.221 120.400 -0.027 0.000 2.149 369 D HA -0.086 4.554 4.640 0.000 0.000 0.198 369 D C 2.242 178.519 176.300 -0.039 0.000 0.990 369 D CA 1.479 55.463 54.000 -0.026 0.000 0.839 369 D CB -0.391 40.403 40.800 -0.010 0.000 0.948 369 D HN 0.447 nan 8.370 nan 0.000 0.460 370 A N 0.919 123.709 122.820 -0.049 0.000 1.902 370 A HA -0.127 4.193 4.320 0.000 0.000 0.217 370 A C 2.348 179.858 177.584 -0.123 0.000 1.181 370 A CA 0.888 52.887 52.037 -0.064 0.000 0.623 370 A CB -0.781 18.184 19.000 -0.058 0.000 0.818 370 A HN 0.223 nan 8.150 nan 0.000 0.443 371 L N -1.039 120.050 121.223 -0.223 0.000 2.465 371 L HA -0.058 4.282 4.340 0.000 0.000 0.224 371 L C 2.118 178.950 176.870 -0.064 0.000 1.145 371 L CA 1.246 55.862 54.840 -0.373 0.000 0.834 371 L CB -0.231 41.501 42.059 -0.545 0.000 0.944 371 L HN 0.345 nan 8.230 nan 0.000 0.451 372 T N -1.602 112.924 114.554 -0.046 0.000 2.978 372 T HA 0.077 4.427 4.350 0.000 0.000 0.248 372 T C 1.324 176.019 174.700 -0.009 0.000 1.018 372 T CA 0.350 62.441 62.100 -0.015 0.000 1.026 372 T CB 0.453 69.305 68.868 -0.027 0.000 1.032 372 T HN 0.186 nan 8.240 nan 0.000 0.485 373 K N 0.676 121.069 120.400 -0.012 0.000 2.506 373 K HA 0.329 4.649 4.320 0.000 0.000 0.204 373 K C 1.478 178.070 176.600 -0.012 0.000 1.045 373 K CA -0.152 56.127 56.287 -0.014 0.000 1.074 373 K CB 0.960 33.451 32.500 -0.014 0.000 0.842 373 K HN 0.143 nan 8.250 nan 0.000 0.514 374 G N 0.837 109.636 108.800 -0.003 0.000 3.042 374 G HA2 -0.092 3.868 3.960 0.000 0.000 0.212 374 G HA3 -0.092 3.868 3.960 0.000 0.000 0.212 374 G C 1.213 176.095 174.900 -0.030 0.000 1.166 374 G CA -0.188 44.908 45.100 -0.006 0.000 0.767 374 G HN 0.124 nan 8.290 nan 0.000 0.546 375 R N 0.781 121.255 120.500 -0.044 0.000 2.073 375 R HA -0.056 4.284 4.340 0.000 0.000 0.234 375 R C 2.329 178.584 176.300 -0.075 0.000 1.134 375 R CA 1.399 57.450 56.100 -0.082 0.000 0.952 375 R CB -0.108 30.142 30.300 -0.084 0.000 0.850 375 R HN 0.268 nan 8.270 nan 0.000 0.433 376 K N -0.267 120.101 120.400 -0.053 0.000 2.063 376 K HA -0.136 4.184 4.320 0.000 0.000 0.208 376 K C 1.927 178.496 176.600 -0.051 0.000 1.048 376 K CA 1.551 57.810 56.287 -0.047 0.000 0.928 376 K CB -0.167 32.313 32.500 -0.033 0.000 0.713 376 K HN 0.169 nan 8.250 nan 0.000 0.442 377 A N 0.701 123.493 122.820 -0.047 0.000 2.167 377 A HA 0.142 4.462 4.320 0.000 0.000 0.214 377 A C 1.448 178.987 177.584 -0.076 0.000 1.151 377 A CA 0.897 52.906 52.037 -0.048 0.000 0.735 377 A CB -0.418 18.566 19.000 -0.027 0.000 0.802 377 A HN 0.461 nan 8.150 nan 0.000 0.467 378 G N -1.066 107.674 108.800 -0.099 0.000 2.182 378 G HA2 -0.194 3.766 3.960 0.000 0.000 0.248 378 G HA3 -0.194 3.766 3.960 0.000 0.000 0.248 378 G C 0.030 174.812 174.900 -0.197 0.000 1.042 378 G CA 0.227 45.236 45.100 -0.152 0.000 0.775 378 G HN 0.583 nan 8.290 nan 0.000 0.501 379 L N 0.036 121.176 121.223 -0.137 0.000 2.367 379 L HA 0.515 4.855 4.340 0.000 0.000 0.275 379 L C 0.538 177.314 176.870 -0.157 0.000 1.129 379 L CA -0.152 54.618 54.840 -0.116 0.000 0.839 379 L CB 0.395 42.439 42.059 -0.024 0.000 1.133 379 L HN 0.299 nan 8.230 nan 0.000 0.453 380 R N 4.106 124.434 120.500 -0.286 0.000 2.435 380 R HA 0.455 4.795 4.340 0.000 0.000 0.308 380 R C -1.191 175.060 176.300 -0.081 0.000 0.975 380 R CA -0.624 55.249 56.100 -0.379 0.000 0.867 380 R CB 2.015 31.528 30.300 -1.312 0.000 1.171 380 R HN 0.354 nan 8.270 nan 0.000 0.470 381 V N 3.671 123.705 119.914 0.199 0.000 2.427 381 V HA 0.434 4.554 4.120 0.000 0.000 0.286 381 V C -0.120 176.100 176.094 0.209 0.000 1.034 381 V CA -0.766 61.572 62.300 0.064 0.000 0.893 381 V CB 1.892 33.575 31.823 -0.233 0.000 0.982 381 V HN 0.403 nan 8.190 nan 0.000 0.452 382 V N 3.893 123.890 119.914 0.139 0.000 2.482 382 V HA 0.828 4.948 4.120 0.000 0.000 0.295 382 V C 0.062 176.300 176.094 0.240 0.000 1.026 382 V CA -0.338 62.087 62.300 0.208 0.000 0.856 382 V CB 1.641 33.493 31.823 0.048 0.000 1.001 382 V HN 1.041 nan 8.190 nan 0.000 0.424 383 A N 3.596 126.561 122.820 0.242 0.000 2.386 383 A HA 0.930 5.250 4.320 0.000 0.000 0.311 383 A C 0.141 177.749 177.584 0.039 0.000 1.068 383 A CA -0.176 51.941 52.037 0.133 0.000 0.743 383 A CB 1.739 20.784 19.000 0.076 0.000 1.258 383 A HN 1.012 nan 8.150 nan 0.000 0.429 384 G N -0.242 108.602 108.800 0.073 0.000 2.425 384 G HA2 0.599 4.559 3.960 0.000 0.000 0.302 384 G HA3 0.599 4.559 3.960 0.000 0.000 0.302 384 G C -1.219 173.684 174.900 0.005 0.000 1.159 384 G CA -0.277 44.852 45.100 0.047 0.000 0.865 384 G HN 0.996 nan 8.290 nan 0.000 0.515 385 L N -0.174 121.044 121.223 -0.009 0.000 2.549 385 L HA 0.361 4.701 4.340 0.000 0.000 0.259 385 L C 0.619 177.488 176.870 -0.002 0.000 0.934 385 L CA -0.421 54.408 54.840 -0.018 0.000 0.865 385 L CB 2.045 44.059 42.059 -0.076 0.000 1.352 385 L HN 0.730 nan 8.230 nan 0.000 0.410 386 Q N 0.446 120.252 119.800 0.011 0.000 2.252 386 Q HA 0.342 4.682 4.340 0.000 0.000 0.195 386 Q C -0.258 175.747 176.000 0.008 0.000 0.974 386 Q CA 0.282 56.093 55.803 0.014 0.000 0.846 386 Q CB 0.477 29.228 28.738 0.023 0.000 0.943 386 Q HN 0.625 nan 8.270 nan 0.000 0.516 387 S N -0.322 115.384 115.700 0.010 0.000 2.503 387 S HA 0.160 4.630 4.470 0.000 0.000 0.301 387 S C 0.693 175.296 174.600 0.005 0.000 1.087 387 S CA -0.451 57.754 58.200 0.008 0.000 1.042 387 S CB 1.609 64.817 63.200 0.013 0.000 1.043 387 S HN 0.446 nan 8.310 nan 0.000 0.489 388 T N -0.095 114.460 114.554 0.001 0.000 2.995 388 T HA -0.103 4.247 4.350 0.000 0.000 0.269 388 T C 1.892 176.600 174.700 0.013 0.000 1.091 388 T CA 1.274 63.374 62.100 -0.001 0.000 1.128 388 T CB -0.466 68.398 68.868 -0.006 0.000 0.891 388 T HN 0.572 nan 8.240 nan 0.000 0.492 389 S N 1.186 116.895 115.700 0.015 0.000 2.419 389 S HA -0.153 4.317 4.470 0.000 0.000 0.233 389 S C 2.129 176.747 174.600 0.030 0.000 1.016 389 S CA 0.709 58.921 58.200 0.020 0.000 0.974 389 S CB -0.550 62.659 63.200 0.015 0.000 0.786 389 S HN 0.580 nan 8.310 nan 0.000 0.492 390 Q N 0.429 120.249 119.800 0.033 0.000 1.965 390 Q HA -0.006 4.334 4.340 0.000 0.000 0.200 390 Q C 2.206 178.250 176.000 0.074 0.000 0.981 390 Q CA 1.458 57.288 55.803 0.045 0.000 0.834 390 Q CB -0.368 28.395 28.738 0.043 0.000 0.900 390 Q HN 0.467 nan 8.270 nan 0.000 0.426 391 L N 1.430 122.704 121.223 0.085 0.000 2.051 391 L HA -0.271 4.069 4.340 0.000 0.000 0.214 391 L C 1.529 178.505 176.870 0.177 0.000 1.076 391 L CA 2.006 56.937 54.840 0.153 0.000 0.758 391 L CB -0.519 41.576 42.059 0.061 0.000 0.890 391 L HN 0.246 nan 8.230 nan 0.000 0.433 392 D N -0.799 119.659 120.400 0.096 0.000 2.097 392 D HA -0.214 4.426 4.640 0.000 0.000 0.195 392 D C 1.886 178.230 176.300 0.074 0.000 0.989 392 D CA 1.545 55.594 54.000 0.081 0.000 0.827 392 D CB -0.236 40.591 40.800 0.045 0.000 0.966 392 D HN 0.454 nan 8.370 nan 0.000 0.456 393 D N -0.641 119.792 120.400 0.054 0.000 2.219 393 D HA -0.089 4.551 4.640 0.000 0.000 0.205 393 D C 1.840 178.148 176.300 0.014 0.000 0.970 393 D CA 0.455 54.473 54.000 0.029 0.000 0.851 393 D CB 0.317 41.129 40.800 0.021 0.000 0.943 393 D HN -0.000 nan 8.370 nan 0.000 0.488 394 V N -0.605 119.329 119.914 0.033 0.000 2.374 394 V HA -0.123 3.997 4.120 0.000 0.000 0.241 394 V C 1.533 177.523 176.094 -0.174 0.000 1.034 394 V CA 1.186 63.444 62.300 -0.070 0.000 1.037 394 V CB -0.556 31.229 31.823 -0.063 0.000 0.682 394 V HN 0.204 nan 8.190 nan 0.000 0.463 395 Y N 0.593 120.898 120.300 0.007 0.000 2.503 395 Y HA 0.509 5.059 4.550 0.000 0.000 0.278 395 Y C 1.341 177.242 175.900 0.001 0.000 1.111 395 Y CA 0.579 58.684 58.100 0.007 0.000 1.270 395 Y CB 0.077 38.547 38.460 0.017 0.000 1.063 395 Y HN 0.373 nan 8.280 nan 0.000 0.548 396 G N -0.590 108.289 108.800 0.133 0.000 2.650 396 G HA2 -0.156 3.804 3.960 0.000 0.000 0.686 396 G HA3 -0.156 3.804 3.960 0.000 0.000 0.686 396 G C 0.349 175.296 174.900 0.079 0.000 1.205 396 G CA -0.548 44.596 45.100 0.073 0.000 0.781 396 G HN -0.036 nan 8.290 nan 0.000 0.648 397 V N 2.284 122.227 119.914 0.048 0.000 2.219 397 V HA -0.239 3.881 4.120 0.000 0.000 0.248 397 V C 3.063 179.179 176.094 0.036 0.000 1.053 397 V CA 2.711 65.034 62.300 0.038 0.000 1.009 397 V CB -0.577 31.260 31.823 0.023 0.000 0.636 397 V HN 0.789 nan 8.190 nan 0.000 0.445 398 K N -0.080 120.339 120.400 0.031 0.000 2.020 398 K HA -0.252 4.068 4.320 0.000 0.000 0.212 398 K C 2.159 178.779 176.600 0.034 0.000 1.050 398 K CA 2.085 58.388 56.287 0.026 0.000 0.929 398 K CB -0.538 31.974 32.500 0.021 0.000 0.714 398 K HN 0.622 nan 8.250 nan 0.000 0.443 399 E N 0.197 120.430 120.200 0.055 0.000 2.077 399 E HA -0.119 4.231 4.350 0.000 0.000 0.193 399 E C 1.828 178.455 176.600 0.046 0.000 0.989 399 E CA 1.139 57.583 56.400 0.073 0.000 0.800 399 E CB -0.045 29.737 29.700 0.137 0.000 0.746 399 E HN 0.322 nan 8.360 nan 0.000 0.452 400 A N 0.583 123.440 122.820 0.062 0.000 1.969 400 A HA -0.246 4.074 4.320 0.000 0.000 0.218 400 A C 2.113 179.685 177.584 -0.019 0.000 1.169 400 A CA 1.611 53.648 52.037 -0.001 0.000 0.635 400 A CB -0.547 18.488 19.000 0.058 0.000 0.810 400 A HN 0.383 nan 8.150 nan 0.000 0.445 401 Q N -0.642 119.162 119.800 0.007 0.000 2.050 401 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 401 Q C 2.022 178.030 176.000 0.012 0.000 0.980 401 Q CA 2.172 57.981 55.803 0.009 0.000 0.840 401 Q CB -0.305 28.441 28.738 0.014 0.000 0.898 401 Q HN 0.585 nan 8.270 nan 0.000 0.424 402 T N 1.699 116.259 114.554 0.009 0.000 2.720 402 T HA -0.174 4.176 4.350 0.000 0.000 0.268 402 T C 1.731 176.437 174.700 0.010 0.000 1.037 402 T CA 1.229 63.335 62.100 0.010 0.000 1.144 402 T CB -0.322 68.550 68.868 0.006 0.000 0.864 402 T HN 0.211 nan 8.240 nan 0.000 0.444 403 L N 1.136 122.345 121.223 -0.023 0.000 1.989 403 L HA -0.042 4.298 4.340 0.000 0.000 0.211 403 L C 2.523 179.483 176.870 0.150 0.000 1.071 403 L CA 1.792 56.620 54.840 -0.020 0.000 0.749 403 L CB -0.488 41.440 42.059 -0.219 0.000 0.890 403 L HN 0.054 nan 8.230 nan 0.000 0.431 404 R N -0.823 119.731 120.500 0.089 0.000 2.091 404 R HA -0.112 4.228 4.340 0.000 0.000 0.238 404 R C 2.204 178.629 176.300 0.209 0.000 1.136 404 R CA 1.329 57.509 56.100 0.134 0.000 0.959 404 R CB -0.630 29.677 30.300 0.012 0.000 0.856 404 R HN 0.538 nan 8.270 nan 0.000 0.437 405 A N 0.012 122.904 122.820 0.120 0.000 2.125 405 A HA -0.116 4.204 4.320 0.000 0.000 0.219 405 A C 1.937 179.590 177.584 0.115 0.000 1.156 405 A CA 1.522 53.619 52.037 0.100 0.000 0.671 405 A CB -0.244 18.788 19.000 0.054 0.000 0.794 405 A HN 0.231 nan 8.150 nan 0.000 0.459 406 S N -1.016 114.758 115.700 0.124 0.000 2.489 406 S HA 0.133 4.603 4.470 0.000 0.000 0.228 406 S C -0.137 174.462 174.600 -0.001 0.000 0.995 406 S CA 0.150 58.359 58.200 0.016 0.000 0.934 406 S CB -0.261 62.867 63.200 -0.119 0.000 0.771 406 S HN 0.470 nan 8.310 nan 0.000 0.522 407 F N 2.414 122.406 119.950 0.071 0.000 2.335 407 F HA 0.390 4.917 4.527 0.000 0.000 0.365 407 F C 1.318 177.172 175.800 0.090 0.000 1.122 407 F CA -0.933 57.136 58.000 0.116 0.000 1.151 407 F CB 0.673 39.721 39.000 0.080 0.000 1.282 407 F HN -0.181 nan 8.300 nan 0.000 0.513 408 R N 0.488 121.108 120.500 0.201 0.000 2.115 408 R HA 0.015 4.355 4.340 0.000 0.000 0.230 408 R C 0.352 176.749 176.300 0.161 0.000 1.111 408 R CA 0.422 56.605 56.100 0.138 0.000 0.976 408 R CB -0.474 29.868 30.300 0.070 0.000 0.870 408 R HN 0.359 nan 8.270 nan 0.000 0.445 409 S N 1.084 116.908 115.700 0.207 0.000 2.489 409 S HA 0.465 4.935 4.470 0.000 0.000 0.291 409 S C -0.434 174.267 174.600 0.168 0.000 1.151 409 S CA -0.703 57.624 58.200 0.212 0.000 1.082 409 S CB 1.687 65.078 63.200 0.319 0.000 1.019 409 S HN 0.064 nan 8.310 nan 0.000 0.492 410 L N 3.506 124.780 121.223 0.085 0.000 2.370 410 L HA 0.826 5.166 4.340 0.000 0.000 0.266 410 L C -1.438 175.427 176.870 -0.009 0.000 1.002 410 L CA -0.500 54.366 54.840 0.043 0.000 0.818 410 L CB 1.896 43.975 42.059 0.034 0.000 1.325 410 L HN 0.455 nan 8.230 nan 0.000 0.418 411 V N 4.562 124.478 119.914 0.004 0.000 2.623 411 V HA 0.545 4.665 4.120 0.000 0.000 0.304 411 V C -0.966 175.147 176.094 0.031 0.000 1.054 411 V CA -0.621 61.680 62.300 0.002 0.000 0.882 411 V CB 2.110 33.935 31.823 0.004 0.000 1.002 411 V HN 0.522 nan 8.190 nan 0.000 0.424 412 V N 6.485 126.441 119.914 0.071 0.000 2.378 412 V HA 0.381 4.501 4.120 0.000 0.000 0.288 412 V C 0.433 176.599 176.094 0.121 0.000 1.016 412 V CA -0.185 62.169 62.300 0.090 0.000 0.840 412 V CB 1.671 33.550 31.823 0.095 0.000 0.994 412 V HN 0.766 nan 8.190 nan 0.000 0.431 413 L N 4.156 125.424 121.223 0.074 0.000 2.653 413 L HA 0.458 4.798 4.340 0.000 0.000 0.231 413 L C 1.139 178.047 176.870 0.063 0.000 1.153 413 L CA 0.389 55.264 54.840 0.059 0.000 0.933 413 L CB -0.144 41.937 42.059 0.037 0.000 1.175 413 L HN 0.979 nan 8.230 nan 0.000 0.473 414 G N -0.034 108.817 108.800 0.085 0.000 3.129 414 G HA2 -0.051 3.909 3.960 0.000 0.000 0.686 414 G HA3 -0.051 3.909 3.960 0.000 0.000 0.686 414 G C 0.007 174.933 174.900 0.043 0.000 0.989 414 G CA -0.373 44.771 45.100 0.073 0.000 0.810 414 G HN 0.399 nan 8.290 nan 0.000 0.539 415 G N 0.119 108.939 108.800 0.034 0.000 2.795 415 G HA2 0.855 4.815 3.960 0.000 0.000 0.267 415 G HA3 0.855 4.815 3.960 0.000 0.000 0.267 415 G C 0.460 175.371 174.900 0.019 0.000 1.362 415 G CA 0.589 45.702 45.100 0.023 0.000 1.048 415 G HN 1.761 nan 8.290 nan 0.000 0.547 416 S N -1.523 114.186 115.700 0.014 0.000 2.592 416 S HA 0.159 4.629 4.470 0.000 0.000 0.271 416 S C 1.668 176.274 174.600 0.010 0.000 1.326 416 S CA -0.279 57.928 58.200 0.012 0.000 1.024 416 S CB 0.716 63.922 63.200 0.010 0.000 0.921 416 S HN 0.661 nan 8.310 nan 0.000 0.527 417 R N 1.410 121.915 120.500 0.009 0.000 2.313 417 R HA 0.037 4.377 4.340 0.000 0.000 0.199 417 R C 1.311 177.614 176.300 0.005 0.000 0.958 417 R CA 1.150 57.254 56.100 0.007 0.000 1.047 417 R CB -0.979 29.325 30.300 0.006 0.000 0.955 417 R HN 0.673 nan 8.270 nan 0.000 0.481 418 T N -2.693 111.865 114.554 0.006 0.000 3.113 418 T HA -0.044 4.306 4.350 0.000 0.000 0.256 418 T C 0.259 174.962 174.700 0.005 0.000 1.131 418 T CA 0.354 62.457 62.100 0.005 0.000 1.074 418 T CB 0.121 68.992 68.868 0.005 0.000 0.944 418 T HN 0.171 nan 8.240 nan 0.000 0.516 419 D N 2.047 122.450 120.400 0.005 0.000 2.502 419 D HA 0.292 4.932 4.640 0.000 0.000 0.301 419 D C -1.528 174.773 176.300 0.003 0.000 1.202 419 D CA -2.492 51.510 54.000 0.005 0.000 0.878 419 D CB 1.336 42.139 40.800 0.006 0.000 1.062 419 D HN 0.035 nan 8.370 nan 0.000 0.499 420 P HA -0.159 nan 4.420 nan 0.000 0.222 420 P C 1.051 178.349 177.300 -0.002 0.000 1.147 420 P CA 0.664 63.764 63.100 -0.001 0.000 0.790 420 P CB 0.539 32.239 31.700 -0.001 0.000 0.780 421 K N -0.213 120.186 120.400 -0.001 0.000 2.001 421 K HA -0.052 4.268 4.320 0.000 0.000 0.208 421 K C 2.210 178.808 176.600 -0.004 0.000 1.048 421 K CA 1.641 57.926 56.287 -0.002 0.000 0.932 421 K CB -1.182 31.318 32.500 -0.000 0.000 0.715 421 K HN 0.137 nan 8.250 nan 0.000 0.437 422 T N 2.220 116.773 114.554 -0.002 0.000 2.746 422 T HA -0.098 4.252 4.350 0.000 0.000 0.267 422 T C 1.633 176.328 174.700 -0.007 0.000 1.039 422 T CA 1.351 63.449 62.100 -0.004 0.000 1.142 422 T CB -0.275 68.593 68.868 -0.000 0.000 0.866 422 T HN 0.200 nan 8.240 nan 0.000 0.444 423 N N 1.014 119.710 118.700 -0.006 0.000 2.205 423 N HA -0.120 4.620 4.740 0.000 0.000 0.186 423 N C 1.933 177.431 175.510 -0.019 0.000 1.015 423 N CA 1.199 54.243 53.050 -0.009 0.000 0.862 423 N CB -0.338 38.146 38.487 -0.005 0.000 0.986 423 N HN 0.502 nan 8.380 nan 0.000 0.429 424 E N 1.361 121.551 120.200 -0.016 0.000 2.072 424 E HA -0.119 4.231 4.350 0.000 0.000 0.190 424 E C 1.050 177.636 176.600 -0.023 0.000 0.982 424 E CA 1.286 57.675 56.400 -0.019 0.000 0.803 424 E CB -0.174 29.518 29.700 -0.013 0.000 0.755 424 E HN 0.144 nan 8.360 nan 0.000 0.453 425 D N -0.174 120.215 120.400 -0.018 0.000 2.104 425 D HA -0.164 4.476 4.640 0.000 0.000 0.194 425 D C 1.835 178.119 176.300 -0.025 0.000 0.994 425 D CA 1.262 55.252 54.000 -0.018 0.000 0.830 425 D CB -0.198 40.594 40.800 -0.013 0.000 0.959 425 D HN 0.264 nan 8.370 nan 0.000 0.452 426 M N 0.313 119.896 119.600 -0.028 0.000 2.159 426 M HA -0.089 4.391 4.480 0.000 0.000 0.263 426 M C 2.333 178.594 176.300 -0.066 0.000 1.063 426 M CA 0.826 56.102 55.300 -0.039 0.000 1.110 426 M CB -1.143 31.438 32.600 -0.030 0.000 1.374 426 M HN -0.048 nan 8.290 nan 0.000 0.411 427 S N 0.636 116.295 115.700 -0.067 0.000 2.356 427 S HA -0.079 4.391 4.470 0.000 0.000 0.223 427 S C 1.981 176.536 174.600 -0.074 0.000 1.032 427 S CA 0.870 59.016 58.200 -0.089 0.000 1.005 427 S CB -0.190 62.968 63.200 -0.068 0.000 0.867 427 S HN 0.480 nan 8.310 nan 0.000 0.449 428 L N 0.867 122.060 121.223 -0.049 0.000 2.093 428 L HA -0.067 4.273 4.340 0.000 0.000 0.208 428 L C 2.445 179.295 176.870 -0.034 0.000 1.085 428 L CA 1.440 56.258 54.840 -0.037 0.000 0.755 428 L CB -0.548 41.496 42.059 -0.025 0.000 0.904 428 L HN 0.359 nan 8.230 nan 0.000 0.435 429 S N -0.029 115.651 115.700 -0.033 0.000 2.368 429 S HA -0.160 4.310 4.470 0.000 0.000 0.225 429 S C 1.744 176.326 174.600 -0.029 0.000 1.030 429 S CA 0.914 59.100 58.200 -0.023 0.000 0.999 429 S CB -0.222 62.966 63.200 -0.019 0.000 0.844 429 S HN 0.234 nan 8.310 nan 0.000 0.459 430 L N 1.060 122.248 121.223 -0.059 0.000 2.265 430 L HA 0.117 4.457 4.340 0.000 0.000 0.215 430 L C 1.453 178.292 176.870 -0.052 0.000 1.117 430 L CA 1.395 56.190 54.840 -0.075 0.000 0.782 430 L CB -2.057 39.903 42.059 -0.166 0.000 0.914 430 L HN 0.491 nan 8.230 nan 0.000 0.441 431 G N -0.456 108.315 108.800 -0.049 0.000 2.746 431 G HA2 -0.177 3.783 3.960 0.000 0.000 0.685 431 G HA3 -0.177 3.783 3.960 0.000 0.000 0.685 431 G C -0.267 174.598 174.900 -0.058 0.000 1.350 431 G CA -0.525 44.554 45.100 -0.035 0.000 0.837 431 G HN 0.241 nan 8.290 nan 0.000 0.564 432 E N -0.232 119.940 120.200 -0.047 0.000 2.254 432 E HA 0.675 5.025 4.350 0.000 0.000 0.258 432 E C 0.290 176.877 176.600 -0.022 0.000 1.033 432 E CA -0.531 55.825 56.400 -0.073 0.000 0.893 432 E CB 1.425 31.098 29.700 -0.046 0.000 1.204 432 E HN 0.842 nan 8.360 nan 0.000 0.425 433 H N -1.592 117.392 119.070 -0.144 0.000 2.961 433 H HA 0.486 5.042 4.556 0.000 0.000 0.371 433 H C -1.260 173.859 175.328 -0.350 0.000 1.190 433 H CA -0.987 54.910 56.048 -0.251 0.000 1.138 433 H CB 1.906 31.521 29.762 -0.246 0.000 1.816 433 H HN 0.383 nan 8.280 nan 0.000 0.551 434 E N 2.610 122.580 120.200 -0.385 0.000 2.156 434 E HA 0.447 4.797 4.350 0.000 0.000 0.279 434 E C -1.470 174.712 176.600 -0.696 0.000 0.965 434 E CA -0.835 55.324 56.400 -0.401 0.000 0.789 434 E CB 1.965 31.485 29.700 -0.300 0.000 1.098 434 E HN 0.397 nan 8.360 nan 0.000 0.397 435 V N 3.591 123.141 119.914 -0.607 0.000 3.001 435 V HA 0.333 4.453 4.120 0.000 0.000 0.314 435 V C -0.956 174.955 176.094 -0.304 0.000 1.099 435 V CA -0.720 61.176 62.300 -0.674 0.000 0.989 435 V CB 2.318 33.454 31.823 -1.145 0.000 1.040 435 V HN 0.730 nan 8.190 nan 0.000 0.434 436 E N 2.479 122.586 120.200 -0.156 0.000 2.129 436 E HA 0.551 4.901 4.350 0.000 0.000 0.268 436 E C -0.642 175.998 176.600 0.068 0.000 0.900 436 E CA -0.413 55.968 56.400 -0.031 0.000 0.755 436 E CB 1.322 31.017 29.700 -0.009 0.000 1.117 436 E HN 0.480 nan 8.360 nan 0.000 0.410 437 R N 2.065 122.601 120.500 0.060 0.000 2.960 437 R HA 0.336 4.676 4.340 0.000 0.000 0.249 437 R C -1.095 175.246 176.300 0.068 0.000 1.192 437 R CA -0.898 55.264 56.100 0.103 0.000 1.035 437 R CB 1.171 31.544 30.300 0.121 0.000 1.234 437 R HN 0.416 nan 8.270 nan 0.000 0.493 438 D N 0.969 121.412 120.400 0.071 0.000 2.225 438 D HA 0.353 4.993 4.640 0.000 0.000 0.248 438 D C -0.356 175.969 176.300 0.041 0.000 1.096 438 D CA 0.522 54.552 54.000 0.049 0.000 0.863 438 D CB 0.627 41.455 40.800 0.046 0.000 1.156 438 D HN 0.393 nan 8.370 nan 0.000 0.450 456 R N 1.473 121.958 120.500 -0.025 0.000 2.221 456 R HA 0.536 4.876 4.340 0.000 0.000 0.327 456 R C -0.674 175.595 176.300 -0.051 0.000 1.033 456 R CA -0.073 55.996 56.100 -0.052 0.000 0.887 456 R CB 1.249 31.516 30.300 -0.055 0.000 1.057 456 R HN -0.048 nan 8.270 nan 0.000 0.455 457 V N 3.530 123.396 119.914 -0.079 0.000 2.760 457 V HA 0.463 4.583 4.120 0.000 0.000 0.309 457 V C -0.291 175.758 176.094 -0.075 0.000 1.077 457 V CA -0.937 61.330 62.300 -0.055 0.000 0.910 457 V CB 2.258 34.073 31.823 -0.015 0.000 1.008 457 V HN 0.668 nan 8.190 nan 0.000 0.424 458 R N 2.894 123.373 120.500 -0.035 0.000 2.393 458 R HA 0.719 5.059 4.340 0.000 0.000 0.310 458 R C -0.826 175.484 176.300 0.017 0.000 0.968 458 R CA -0.426 55.661 56.100 -0.022 0.000 0.867 458 R CB 1.631 31.911 30.300 -0.034 0.000 1.124 458 R HN 0.976 nan 8.270 nan 0.000 0.450 459 E N 2.558 122.783 120.200 0.042 0.000 2.407 459 E HA 0.369 4.719 4.350 0.000 0.000 0.279 459 E C -1.100 175.448 176.600 -0.087 0.000 1.012 459 E CA -1.249 55.160 56.400 0.015 0.000 0.800 459 E CB 1.153 30.910 29.700 0.094 0.000 1.276 459 E HN 0.113 nan 8.360 nan 0.000 0.452 460 R N 1.010 121.474 120.500 -0.060 0.000 2.442 460 R HA 0.122 4.462 4.340 0.000 0.000 0.291 460 R C 0.854 177.086 176.300 -0.114 0.000 1.069 460 R CA -0.163 55.881 56.100 -0.093 0.000 1.022 460 R CB 0.866 31.132 30.300 -0.055 0.000 0.976 460 R HN 0.515 nan 8.270 nan 0.000 0.443 461 V N 2.536 122.336 119.914 -0.190 0.000 2.515 461 V HA -0.105 4.015 4.120 0.000 0.000 0.250 461 V C 0.905 177.036 176.094 0.063 0.000 1.058 461 V CA 1.355 63.597 62.300 -0.098 0.000 1.064 461 V CB 0.067 31.821 31.823 -0.115 0.000 0.675 461 V HN 0.395 nan 8.190 nan 0.000 0.461 462 V N 0.815 120.674 119.914 -0.091 0.000 2.482 462 V HA 0.373 4.493 4.120 0.000 0.000 0.295 462 V C -0.167 175.855 176.094 -0.120 0.000 1.026 462 V CA -0.496 61.706 62.300 -0.164 0.000 0.856 462 V CB 1.624 33.147 31.823 -0.500 0.000 1.001 462 V HN 0.233 nan 8.190 nan 0.000 0.424 463 M N 5.385 124.944 119.600 -0.067 0.000 2.240 463 M HA 0.211 4.691 4.480 0.000 0.000 0.333 463 M C -1.380 174.892 176.300 -0.046 0.000 1.110 463 M CA -1.167 54.105 55.300 -0.046 0.000 1.173 463 M CB 1.126 33.708 32.600 -0.029 0.000 1.458 463 M HN 0.326 nan 8.290 nan 0.000 0.458 464 P HA -0.137 nan 4.420 nan 0.000 0.216 464 P C 0.766 178.059 177.300 -0.012 0.000 1.150 464 P CA 1.547 64.631 63.100 -0.027 0.000 0.837 464 P CB 0.017 31.706 31.700 -0.020 0.000 0.786 465 A N 0.002 122.816 122.820 -0.009 0.000 1.933 465 A HA -0.228 4.092 4.320 0.000 0.000 0.218 465 A C 2.105 179.696 177.584 0.010 0.000 1.175 465 A CA 1.536 53.572 52.037 -0.000 0.000 0.628 465 A CB -1.104 17.894 19.000 -0.003 0.000 0.814 465 A HN 0.191 nan 8.150 nan 0.000 0.444 466 E N -0.255 119.952 120.200 0.011 0.000 2.110 466 E HA -0.151 4.199 4.350 0.000 0.000 0.193 466 E C 1.826 178.476 176.600 0.084 0.000 0.988 466 E CA 1.225 57.651 56.400 0.044 0.000 0.804 466 E CB -0.299 29.430 29.700 0.049 0.000 0.745 466 E HN 0.712 nan 8.360 nan 0.000 0.458 467 I N 0.978 121.581 120.570 0.055 0.000 2.394 467 I HA -0.181 3.989 4.170 0.000 0.000 0.251 467 I C 2.400 178.553 176.117 0.060 0.000 1.136 467 I CA 0.654 62.002 61.300 0.080 0.000 1.425 467 I CB -0.202 37.812 38.000 0.023 0.000 1.079 467 I HN 0.043 nan 8.210 nan 0.000 0.425 468 A N 0.428 123.269 122.820 0.035 0.000 2.119 468 A HA -0.057 4.263 4.320 0.000 0.000 0.216 468 A C 1.722 179.322 177.584 0.026 0.000 1.152 468 A CA 1.035 53.087 52.037 0.025 0.000 0.708 468 A CB -0.312 18.697 19.000 0.014 0.000 0.805 468 A HN 0.391 nan 8.150 nan 0.000 0.460 469 N N -0.344 118.376 118.700 0.033 0.000 2.236 469 N HA 0.187 4.927 4.740 0.000 0.000 0.196 469 N C -0.135 175.392 175.510 0.029 0.000 1.114 469 N CA -0.033 53.033 53.050 0.026 0.000 0.859 469 N CB 0.228 38.727 38.487 0.021 0.000 0.982 469 N HN 0.391 nan 8.380 nan 0.000 0.493 470 L N 3.237 124.487 121.223 0.045 0.000 2.490 470 L HA 0.103 4.443 4.340 0.000 0.000 0.274 470 L C -1.634 175.245 176.870 0.014 0.000 1.201 470 L CA -0.898 53.962 54.840 0.033 0.000 0.869 470 L CB 0.116 42.208 42.059 0.054 0.000 1.123 470 L HN -0.083 nan 8.230 nan 0.000 0.484 471 P HA 0.150 nan 4.420 nan 0.000 0.279 471 P C -0.978 176.319 177.300 -0.005 0.000 1.252 471 P CA -0.713 62.385 63.100 -0.003 0.000 0.811 471 P CB 0.796 32.490 31.700 -0.010 0.000 1.035 472 D N 0.927 121.326 120.400 -0.002 0.000 2.364 472 D HA 0.015 4.655 4.640 0.000 0.000 0.236 472 D C 1.158 177.454 176.300 -0.005 0.000 1.221 472 D CA 0.198 54.198 54.000 0.000 0.000 0.891 472 D CB 0.131 40.932 40.800 0.002 0.000 1.190 472 D HN 0.437 nan 8.370 nan 0.000 0.449 473 L N -0.825 120.396 121.223 -0.002 0.000 3.843 473 L HA -0.239 4.101 4.340 0.000 0.000 0.411 473 L C -0.231 176.627 176.870 -0.019 0.000 1.205 473 L CA 0.632 55.469 54.840 -0.004 0.000 0.945 473 L CB -2.034 40.023 42.059 -0.004 0.000 1.929 473 L HN 0.328 nan 8.230 nan 0.000 0.934 474 T N -0.416 114.120 114.554 -0.030 0.000 2.928 474 T HA 0.804 5.154 4.350 0.000 0.000 0.296 474 T C -0.122 174.530 174.700 -0.079 0.000 1.000 474 T CA 0.085 62.144 62.100 -0.067 0.000 0.989 474 T CB 2.124 70.945 68.868 -0.079 0.000 1.005 474 T HN 0.372 nan 8.240 nan 0.000 0.442 475 A N 2.536 125.284 122.820 -0.120 0.000 2.539 475 A HA 0.791 5.111 4.320 0.000 0.000 0.296 475 A C -1.937 175.539 177.584 -0.180 0.000 1.073 475 A CA -0.781 51.199 52.037 -0.094 0.000 0.700 475 A CB 1.168 20.154 19.000 -0.024 0.000 1.296 475 A HN 0.793 nan 8.150 nan 0.000 0.405 476 Y N 0.669 120.955 120.300 -0.024 0.000 2.326 476 Y HA 0.465 5.015 4.550 0.000 0.000 0.337 476 Y C 0.123 175.978 175.900 -0.075 0.000 1.023 476 Y CA -0.059 58.022 58.100 -0.032 0.000 1.143 476 Y CB 1.790 40.240 38.460 -0.018 0.000 1.183 476 Y HN 0.367 nan 8.280 nan 0.000 0.485 477 V N 3.365 123.285 119.914 0.010 0.000 2.357 477 V HA 0.583 4.703 4.120 0.000 0.000 0.284 477 V C 0.207 176.181 176.094 -0.200 0.000 1.018 477 V CA -0.663 61.529 62.300 -0.180 0.000 0.841 477 V CB 1.407 33.042 31.823 -0.314 0.000 0.991 477 V HN 0.929 nan 8.190 nan 0.000 0.437 478 G N 4.505 113.182 108.800 -0.206 0.000 3.114 478 G HA2 0.550 4.510 3.960 0.000 0.000 0.320 478 G HA3 0.550 4.510 3.960 0.000 0.000 0.320 478 G C -0.675 174.181 174.900 -0.072 0.000 1.453 478 G CA -0.302 44.740 45.100 -0.095 0.000 1.084 478 G HN 0.353 nan 8.290 nan 0.000 0.516 479 F N 1.742 121.738 119.950 0.076 0.000 2.496 479 F HA 0.453 4.980 4.527 0.000 0.000 0.344 479 F C 1.306 177.140 175.800 0.057 0.000 1.155 479 F CA -0.128 57.913 58.000 0.069 0.000 1.302 479 F CB 0.912 39.948 39.000 0.061 0.000 1.159 479 F HN 0.541 nan 8.300 nan 0.000 0.595 480 A N 1.719 124.710 122.820 0.284 0.000 2.466 480 A HA 0.491 4.811 4.320 0.000 0.000 0.238 480 A C 0.833 178.488 177.584 0.118 0.000 1.074 480 A CA 0.463 52.593 52.037 0.155 0.000 0.774 480 A CB -0.766 18.301 19.000 0.111 0.000 1.015 480 A HN 1.649 nan 8.150 nan 0.000 0.498 481 G N 0.729 109.578 108.800 0.081 0.000 2.545 481 G HA2 -0.165 3.795 3.960 0.000 0.000 0.216 481 G HA3 -0.165 3.795 3.960 0.000 0.000 0.216 481 G C -0.028 174.912 174.900 0.066 0.000 1.314 481 G CA 0.213 45.349 45.100 0.060 0.000 0.906 481 G HN 1.617 nan 8.290 nan 0.000 0.563 482 N N 1.484 120.216 118.700 0.053 0.000 3.188 482 N HA 0.427 5.167 4.740 0.000 0.000 0.279 482 N C 0.253 175.797 175.510 0.056 0.000 1.213 482 N CA 0.008 53.089 53.050 0.052 0.000 1.138 482 N CB -0.363 38.148 38.487 0.039 0.000 1.417 482 N HN 0.658 nan 8.380 nan 0.000 0.526 483 R N 0.955 121.502 120.500 0.078 0.000 2.744 483 R HA 0.555 4.895 4.340 0.000 0.000 0.279 483 R C -2.550 173.803 176.300 0.088 0.000 0.977 483 R CA -1.729 54.425 56.100 0.090 0.000 0.906 483 R CB 1.175 31.562 30.300 0.145 0.000 1.197 483 R HN 0.267 nan 8.270 nan 0.000 0.463 484 P HA 0.199 nan 4.420 nan 0.000 0.274 484 P C -0.231 177.121 177.300 0.088 0.000 1.237 484 P CA -0.433 62.705 63.100 0.062 0.000 0.793 484 P CB 0.803 32.523 31.700 0.033 0.000 0.977 485 I N -1.902 118.722 120.570 0.090 0.000 2.783 485 I HA 0.821 4.991 4.170 0.000 0.000 0.312 485 I C -0.547 175.646 176.117 0.126 0.000 0.988 485 I CA -1.170 60.189 61.300 0.097 0.000 1.182 485 I CB 1.631 39.698 38.000 0.112 0.000 1.368 485 I HN 0.411 nan 8.210 nan 0.000 0.511 486 A N 3.231 126.124 122.820 0.121 0.000 2.574 486 A HA 0.517 4.837 4.320 0.000 0.000 0.297 486 A C -1.141 176.456 177.584 0.021 0.000 1.062 486 A CA -0.868 51.227 52.037 0.096 0.000 0.686 486 A CB 1.607 20.642 19.000 0.058 0.000 1.285 486 A HN 0.795 nan 8.150 nan 0.000 0.403 487 K N 2.002 122.352 120.400 -0.083 0.000 2.268 487 K HA 0.578 4.898 4.320 0.000 0.000 0.276 487 K C -1.294 175.192 176.600 -0.190 0.000 1.080 487 K CA -0.180 55.892 56.287 -0.358 0.000 0.910 487 K CB 0.629 32.840 32.500 -0.481 0.000 1.163 487 K HN 0.460 nan 8.250 nan 0.000 0.465 488 V N 6.206 126.021 119.914 -0.164 0.000 2.715 488 V HA 0.483 4.603 4.120 0.000 0.000 0.310 488 V C -2.200 173.846 176.094 -0.080 0.000 1.054 488 V CA -1.986 60.262 62.300 -0.085 0.000 0.928 488 V CB 1.734 33.533 31.823 -0.041 0.000 1.007 488 V HN 0.826 nan 8.190 nan 0.000 0.437 489 P HA 0.322 nan 4.420 nan 0.000 0.286 489 P C -0.988 176.302 177.300 -0.016 0.000 1.269 489 P CA -0.335 62.743 63.100 -0.037 0.000 0.787 489 P CB 1.521 33.204 31.700 -0.028 0.000 0.920 490 L N 3.567 124.783 121.223 -0.012 0.000 2.257 490 L HA 0.250 4.590 4.340 0.000 0.000 0.290 490 L C 0.976 177.851 176.870 0.009 0.000 1.044 490 L CA -0.579 54.265 54.840 0.007 0.000 0.810 490 L CB 0.554 42.620 42.059 0.012 0.000 1.193 490 L HN 0.495 nan 8.230 nan 0.000 0.425 491 E N 5.685 125.895 120.200 0.015 0.000 2.249 491 E HA 0.261 4.611 4.350 0.000 0.000 0.280 491 E C -0.737 175.868 176.600 0.009 0.000 1.016 491 E CA -0.669 55.734 56.400 0.005 0.000 0.830 491 E CB 1.355 31.055 29.700 -0.001 0.000 1.081 491 E HN 0.564 nan 8.360 nan 0.000 0.395 492 I N 4.175 124.741 120.570 -0.006 0.000 2.293 492 I HA 0.079 4.249 4.170 0.000 0.000 0.299 492 I C 0.590 176.674 176.117 -0.054 0.000 1.153 492 I CA -0.207 61.089 61.300 -0.006 0.000 1.302 492 I CB -0.074 37.920 38.000 -0.010 0.000 1.460 492 I HN 0.506 nan 8.210 nan 0.000 0.552 493 K N 5.184 125.538 120.400 -0.077 0.000 2.270 493 K HA 0.188 4.508 4.320 0.000 0.000 0.276 493 K C -0.227 176.108 176.600 -0.442 0.000 1.023 493 K CA -0.560 55.554 56.287 -0.289 0.000 0.955 493 K CB 0.803 33.059 32.500 -0.407 0.000 0.975 493 K HN 0.386 nan 8.250 nan 0.000 0.471 494 Q N 3.169 122.655 119.800 -0.523 0.000 2.257 494 Q HA 0.280 4.620 4.340 0.000 0.000 0.255 494 Q C -1.124 174.488 176.000 -0.646 0.000 0.920 494 Q CA -0.147 55.412 55.803 -0.407 0.000 0.927 494 Q CB 1.016 29.622 28.738 -0.220 0.000 1.229 494 Q HN 0.423 nan 8.270 nan 0.000 0.433 495 F N 0.487 120.373 119.950 -0.107 0.000 2.467 495 F HA 0.516 5.043 4.527 0.000 0.000 0.336 495 F C 0.509 176.245 175.800 -0.108 0.000 1.123 495 F CA -1.115 56.818 58.000 -0.111 0.000 0.964 495 F CB 1.433 40.355 39.000 -0.129 0.000 1.136 495 F HN 0.489 nan 8.300 nan 0.000 0.447 496 A N 2.798 125.665 122.820 0.079 0.000 2.477 496 A HA 0.142 4.462 4.320 0.000 0.000 0.246 496 A C 0.213 177.797 177.584 -0.000 0.000 1.078 496 A CA -0.423 51.628 52.037 0.024 0.000 0.770 496 A CB -0.095 18.919 19.000 0.024 0.000 1.011 496 A HN 0.895 nan 8.150 nan 0.000 0.494 497 N N 1.617 120.298 118.700 -0.032 0.000 2.605 497 N HA 0.074 4.814 4.740 0.000 0.000 0.258 497 N C 0.595 176.071 175.510 -0.056 0.000 1.156 497 N CA -0.176 52.834 53.050 -0.066 0.000 1.008 497 N CB 0.354 38.801 38.487 -0.067 0.000 1.354 497 N HN 0.664 nan 8.380 nan 0.000 0.509 498 R N 1.648 122.116 120.500 -0.054 0.000 3.298 498 R HA 0.137 4.477 4.340 0.000 0.000 0.249 498 R C -0.171 176.091 176.300 -0.064 0.000 1.563 498 R CA -0.012 56.066 56.100 -0.037 0.000 1.378 498 R CB -0.042 30.258 30.300 -0.001 0.000 1.250 498 R HN 0.484 nan 8.270 nan 0.000 0.580 499 Q N 0.565 120.314 119.800 -0.084 0.000 2.938 499 Q HA 0.116 4.456 4.340 0.000 0.000 0.230 499 Q C -2.971 172.966 176.000 -0.105 0.000 1.008 499 Q CA -1.273 54.471 55.803 -0.099 0.000 0.925 499 Q CB 1.847 30.504 28.738 -0.135 0.000 2.116 499 Q HN 0.149 nan 8.270 nan 0.000 0.515 500 P HA 0.120 nan 4.420 nan 0.000 0.275 500 P C -0.351 176.904 177.300 -0.074 0.000 1.227 500 P CA 0.342 63.400 63.100 -0.070 0.000 0.781 500 P CB 1.316 32.981 31.700 -0.059 0.000 0.906 501 A N 3.541 126.333 122.820 -0.045 0.000 1.930 501 A HA -0.018 4.302 4.320 0.000 0.000 0.217 501 A C 0.660 178.299 177.584 0.092 0.000 1.175 501 A CA 1.258 53.278 52.037 -0.029 0.000 0.627 501 A CB -0.593 18.383 19.000 -0.041 0.000 0.815 501 A HN 0.580 nan 8.150 nan 0.000 0.443 502 F N -1.607 118.296 119.950 -0.078 0.000 2.588 502 F HA 0.595 5.122 4.527 0.000 0.000 0.310 502 F C -1.266 174.513 175.800 -0.035 0.000 1.082 502 F CA -1.527 56.445 58.000 -0.047 0.000 0.929 502 F CB 2.131 41.109 39.000 -0.035 0.000 1.254 502 F HN -0.165 nan 8.300 nan 0.000 0.455 503 V N 5.107 124.594 119.914 -0.712 0.000 2.668 503 V HA 0.575 4.695 4.120 0.000 0.000 0.304 503 V C -0.553 175.112 176.094 -0.715 0.000 1.071 503 V CA -0.512 61.465 62.300 -0.537 0.000 0.894 503 V CB 1.498 33.155 31.823 -0.278 0.000 1.008 503 V HN 0.862 nan 8.190 nan 0.000 0.425 504 E N 0.000 119.903 120.200 -0.495 0.000 2.725 504 E HA 0.000 4.350 4.350 0.000 0.000 0.291 504 E CA 0.000 56.213 56.400 -0.311 0.000 0.976 504 E CB 0.000 29.540 29.700 -0.266 0.000 0.812 504 E HN 0.000 nan 8.360 nan 0.000 0.440