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 1yu4_1_B DATA FIRST_RESID 5 DATA SEQUENCE VQFRGGTTAQ HATFTGAARE ITVDTDKNTV VVHDGATAGG FPLARHDLVK DATA SEQUENCE TAFIKADKSA VAFTRTGNAT ASIKAGTIVE VNGKLVQFTA DTAITMPALT DATA SEQUENCE AGTDYAIYVC DDGTVRADSN FSAPTGYTST TARKVGGFHY APGSNAAAQA DATA SEQUENCE GGNTTAQINE YSLWDIKFRP AALDPRGMTL VAGAFWADIY LLGVNHLTDG DATA SEQUENCE TSKYNVTIAD GSASPKKSTK FGGDGSAAYS DGAWYNFAEV MTHHGKRLPN DATA SEQUENCE YNEFQALAFG TTEATSSGGT DVPTTGVNGT GATSAWNIFT SKWGVVQASG DATA SEQUENCE CLWTWGNEFG GVNGASEYTA NTGGRGSVYA QPAAALFGGN WNSTSNSGSR DATA SEQUENCE AANWNSGPSN SPANIGARGV CDHLIL 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.055 176.094 -0.066 0.000 1.182 5 V CA 0.000 62.252 62.300 -0.079 0.000 1.235 5 V CB 0.000 31.760 31.823 -0.105 0.000 1.184 6 Q N 3.433 123.171 119.800 -0.104 0.000 2.306 6 Q HA 0.762 5.103 4.340 0.001 0.000 0.265 6 Q C -1.347 174.573 176.000 -0.134 0.000 1.022 6 Q CA -0.542 55.245 55.803 -0.026 0.000 0.853 6 Q CB 2.822 31.562 28.738 0.003 0.000 1.327 6 Q HN 0.598 nan 8.270 nan 0.000 0.449 7 F N 0.234 120.196 119.950 0.019 0.000 2.450 7 F HA 0.413 4.940 4.527 0.001 0.000 0.328 7 F C 0.638 176.448 175.800 0.016 0.000 1.068 7 F CA -0.836 57.179 58.000 0.025 0.000 1.007 7 F CB 1.163 40.187 39.000 0.040 0.000 1.251 7 F HN 0.352 nan 8.300 nan 0.000 0.492 8 R N 0.590 121.219 120.500 0.214 0.000 2.570 8 R HA 0.490 4.831 4.340 0.001 0.000 0.277 8 R C -0.369 175.986 176.300 0.091 0.000 1.039 8 R CA 0.424 56.575 56.100 0.087 0.000 1.065 8 R CB -0.024 30.298 30.300 0.036 0.000 0.964 8 R HN 0.841 nan 8.270 nan 0.000 0.428 9 G N 0.635 109.448 108.800 0.021 0.000 2.646 9 G HA2 0.603 4.564 3.960 0.001 0.000 0.291 9 G HA3 0.603 4.564 3.960 0.001 0.000 0.291 9 G C -1.330 173.572 174.900 0.002 0.000 1.445 9 G CA -0.291 44.845 45.100 0.061 0.000 0.814 9 G HN 0.870 nan 8.290 nan 0.000 0.495 10 G N -1.127 107.728 108.800 0.091 0.000 2.550 10 G HA2 0.764 4.724 3.960 0.001 0.000 0.293 10 G HA3 0.764 4.724 3.960 0.001 0.000 0.293 10 G C 0.070 175.067 174.900 0.162 0.000 1.402 10 G CA 0.571 45.700 45.100 0.049 0.000 0.784 10 G HN 1.451 nan 8.290 nan 0.000 0.482 11 T N -2.242 112.372 114.554 0.099 0.000 2.680 11 T HA 0.290 4.640 4.350 0.001 0.000 0.314 11 T C 1.508 176.312 174.700 0.173 0.000 1.045 11 T CA 1.030 63.189 62.100 0.099 0.000 1.025 11 T CB 0.509 69.409 68.868 0.053 0.000 1.000 11 T HN 0.425 nan 8.240 nan 0.000 0.535 12 T N 0.735 115.346 114.554 0.095 0.000 2.904 12 T HA 0.084 4.435 4.350 0.001 0.000 0.267 12 T C 2.385 177.153 174.700 0.113 0.000 1.059 12 T CA 0.902 63.054 62.100 0.087 0.000 1.137 12 T CB -0.684 68.198 68.868 0.023 0.000 0.879 12 T HN 0.765 nan 8.240 nan 0.000 0.467 13 A N 1.554 124.421 122.820 0.080 0.000 1.930 13 A HA -0.119 4.201 4.320 0.001 0.000 0.217 13 A C 2.264 179.890 177.584 0.071 0.000 1.175 13 A CA 1.227 53.303 52.037 0.064 0.000 0.627 13 A CB -0.547 18.477 19.000 0.041 0.000 0.815 13 A HN 0.504 nan 8.150 nan 0.000 0.443 14 Q N -1.484 118.355 119.800 0.064 0.000 2.167 14 Q HA -0.179 4.162 4.340 0.001 0.000 0.202 14 Q C 1.788 177.797 176.000 0.015 0.000 0.970 14 Q CA 1.546 57.359 55.803 0.016 0.000 0.855 14 Q CB -0.214 28.497 28.738 -0.044 0.000 0.911 14 Q HN 0.865 nan 8.270 nan 0.000 0.438 15 H N -0.252 118.843 119.070 0.042 0.000 2.495 15 H HA 0.039 4.595 4.556 0.001 0.000 0.287 15 H C 1.887 177.305 175.328 0.150 0.000 1.033 15 H CA 0.924 57.041 56.048 0.116 0.000 1.307 15 H CB 0.124 29.941 29.762 0.092 0.000 1.401 15 H HN 0.314 nan 8.280 nan 0.000 0.555 16 A N 0.010 122.944 122.820 0.189 0.000 1.865 16 A HA -0.219 4.102 4.320 0.001 0.000 0.217 16 A C 2.423 180.067 177.584 0.099 0.000 1.191 16 A CA 2.294 54.403 52.037 0.119 0.000 0.623 16 A CB -0.996 18.050 19.000 0.077 0.000 0.826 16 A HN 0.561 nan 8.150 nan 0.000 0.444 17 T N -4.259 110.354 114.554 0.098 0.000 3.081 17 T HA 0.154 4.505 4.350 0.001 0.000 0.255 17 T C 0.477 175.228 174.700 0.084 0.000 1.113 17 T CA 0.039 62.181 62.100 0.070 0.000 1.082 17 T CB -0.406 68.495 68.868 0.054 0.000 0.939 17 T HN 0.183 nan 8.240 nan 0.000 0.506 18 F N 3.783 123.715 119.950 -0.030 0.000 2.494 18 F HA 0.374 4.902 4.527 0.001 0.000 0.369 18 F C -0.204 175.567 175.800 -0.048 0.000 1.098 18 F CA -0.353 57.604 58.000 -0.072 0.000 1.154 18 F CB 0.152 39.061 39.000 -0.151 0.000 1.103 18 F HN -0.082 nan 8.300 nan 0.000 0.549 19 T N 6.307 120.506 114.554 -0.591 0.000 2.753 19 T HA 0.478 4.828 4.350 0.001 0.000 0.297 19 T C 0.734 174.805 174.700 -1.048 0.000 0.981 19 T CA -0.250 61.507 62.100 -0.571 0.000 0.956 19 T CB 0.840 69.537 68.868 -0.284 0.000 0.936 19 T HN 0.829 nan 8.240 nan 0.000 0.463 20 G N 2.100 110.243 108.800 -1.096 0.000 2.546 20 G HA2 0.654 4.615 3.960 0.001 0.000 0.239 20 G HA3 0.654 4.615 3.960 0.001 0.000 0.239 20 G C -0.143 174.551 174.900 -0.344 0.000 1.476 20 G CA -0.421 44.114 45.100 -0.942 0.000 1.064 20 G HN 0.891 nan 8.290 nan 0.000 0.561 21 A N -1.520 121.222 122.820 -0.130 0.000 2.299 21 A HA 0.775 5.095 4.320 0.001 0.000 0.332 21 A C 0.499 178.117 177.584 0.056 0.000 1.131 21 A CA 0.133 52.155 52.037 -0.026 0.000 0.844 21 A CB 0.808 19.813 19.000 0.008 0.000 1.251 21 A HN 1.744 nan 8.150 nan 0.000 0.486 22 A N 0.403 123.258 122.820 0.058 0.000 2.520 22 A HA 0.465 4.785 4.320 0.001 0.000 0.245 22 A C 0.964 178.609 177.584 0.101 0.000 1.072 22 A CA 0.476 52.564 52.037 0.086 0.000 0.761 22 A CB -0.467 18.568 19.000 0.059 0.000 1.004 22 A HN 1.204 nan 8.150 nan 0.000 0.499 23 R N -0.347 120.227 120.500 0.123 0.000 3.951 23 R HA -0.168 4.173 4.340 0.001 0.000 0.352 23 R C 0.136 176.525 176.300 0.149 0.000 1.178 23 R CA 1.359 57.528 56.100 0.114 0.000 0.949 23 R CB -1.869 28.479 30.300 0.079 0.000 1.452 23 R HN 0.922 nan 8.270 nan 0.000 0.540 24 E N 1.284 121.608 120.200 0.207 0.000 2.354 24 E HA 0.368 4.719 4.350 0.001 0.000 0.269 24 E C -0.491 176.313 176.600 0.339 0.000 1.036 24 E CA -0.213 56.345 56.400 0.263 0.000 0.876 24 E CB 0.645 30.499 29.700 0.257 0.000 1.009 24 E HN 0.194 nan 8.360 nan 0.000 0.416 25 I N 4.041 124.776 120.570 0.274 0.000 2.410 25 I HA 0.196 4.367 4.170 0.001 0.000 0.286 25 I C 0.080 176.324 176.117 0.212 0.000 1.009 25 I CA -0.409 60.997 61.300 0.175 0.000 1.111 25 I CB 1.826 39.811 38.000 -0.024 0.000 1.262 25 I HN 0.573 nan 8.210 nan 0.000 0.443 26 T N 2.763 117.491 114.554 0.290 0.000 2.919 26 T HA 0.731 5.081 4.350 0.001 0.000 0.282 26 T C -0.489 174.310 174.700 0.165 0.000 1.020 26 T CA -0.808 61.465 62.100 0.287 0.000 0.994 26 T CB 2.064 71.199 68.868 0.446 0.000 1.180 26 T HN 0.134 nan 8.240 nan 0.000 0.566 27 V N 1.716 121.733 119.914 0.171 0.000 2.407 27 V HA 0.338 4.458 4.120 0.001 0.000 0.291 27 V C -0.378 175.772 176.094 0.093 0.000 1.018 27 V CA -0.876 61.471 62.300 0.078 0.000 0.842 27 V CB 1.387 33.254 31.823 0.073 0.000 0.996 27 V HN 1.006 nan 8.190 nan 0.000 0.426 28 D N 3.618 123.969 120.400 -0.081 0.000 2.358 28 D HA 0.036 4.677 4.640 0.001 0.000 0.258 28 D C 1.369 177.654 176.300 -0.026 0.000 1.223 28 D CA 0.354 54.267 54.000 -0.144 0.000 0.886 28 D CB 1.809 42.432 40.800 -0.295 0.000 1.120 28 D HN 0.746 nan 8.370 nan 0.000 0.482 29 T N 0.361 114.931 114.554 0.027 0.000 3.067 29 T HA -0.066 4.285 4.350 0.001 0.000 0.261 29 T C 1.079 175.787 174.700 0.013 0.000 1.110 29 T CA 0.329 62.445 62.100 0.026 0.000 1.113 29 T CB 0.312 69.203 68.868 0.039 0.000 0.917 29 T HN 0.206 nan 8.240 nan 0.000 0.499 30 D N 2.068 122.472 120.400 0.007 0.000 2.103 30 D HA 0.023 4.664 4.640 0.001 0.000 0.199 30 D C 2.028 178.324 176.300 -0.007 0.000 0.978 30 D CA 1.040 55.041 54.000 0.002 0.000 0.829 30 D CB -0.027 40.775 40.800 0.004 0.000 0.981 30 D HN 0.462 nan 8.370 nan 0.000 0.464 31 K N 0.146 120.532 120.400 -0.024 0.000 2.400 31 K HA 0.058 4.379 4.320 0.001 0.000 0.194 31 K C -0.140 176.448 176.600 -0.019 0.000 1.033 31 K CA -0.047 56.225 56.287 -0.026 0.000 1.021 31 K CB 0.065 32.536 32.500 -0.048 0.000 0.808 31 K HN 0.069 nan 8.250 nan 0.000 0.505 32 N N 1.157 119.848 118.700 -0.016 0.000 2.714 32 N HA -0.193 4.548 4.740 0.001 0.000 0.252 32 N C -0.714 174.787 175.510 -0.016 0.000 1.014 32 N CA 0.808 53.853 53.050 -0.008 0.000 0.735 32 N CB -0.640 37.849 38.487 0.003 0.000 0.924 32 N HN 0.171 nan 8.380 nan 0.000 0.540 33 T N -1.473 113.060 114.554 -0.035 0.000 2.838 33 T HA 0.623 4.973 4.350 0.001 0.000 0.292 33 T C -0.562 174.100 174.700 -0.063 0.000 1.113 33 T CA -0.606 61.468 62.100 -0.043 0.000 1.008 33 T CB 1.548 70.390 68.868 -0.043 0.000 1.259 33 T HN -0.078 nan 8.240 nan 0.000 0.520 34 V N 2.373 122.247 119.914 -0.066 0.000 2.567 34 V HA 0.556 4.676 4.120 0.001 0.000 0.289 34 V C -0.326 175.718 176.094 -0.084 0.000 1.049 34 V CA -0.382 61.871 62.300 -0.078 0.000 0.969 34 V CB 1.624 33.391 31.823 -0.092 0.000 0.995 34 V HN 0.693 nan 8.190 nan 0.000 0.471 35 V N 5.391 125.252 119.914 -0.089 0.000 2.378 35 V HA 0.390 4.510 4.120 0.001 0.000 0.288 35 V C -0.108 175.854 176.094 -0.219 0.000 1.016 35 V CA -0.668 61.538 62.300 -0.158 0.000 0.840 35 V CB 1.655 33.354 31.823 -0.207 0.000 0.994 35 V HN 0.575 nan 8.190 nan 0.000 0.431 36 V N 5.251 125.084 119.914 -0.134 0.000 2.546 36 V HA 0.400 4.521 4.120 0.001 0.000 0.284 36 V C 0.046 176.085 176.094 -0.092 0.000 1.050 36 V CA -0.375 61.898 62.300 -0.044 0.000 0.981 36 V CB 0.849 32.710 31.823 0.063 0.000 0.990 36 V HN 0.801 nan 8.190 nan 0.000 0.474 37 H N 3.606 122.813 119.070 0.228 0.000 2.670 37 H HA 0.412 4.969 4.556 0.001 0.000 0.361 37 H C -0.235 175.215 175.328 0.204 0.000 1.169 37 H CA -0.609 55.560 56.048 0.201 0.000 1.198 37 H CB 2.406 32.256 29.762 0.147 0.000 1.700 37 H HN 0.828 nan 8.280 nan 0.000 0.542 38 D N -0.806 119.785 120.400 0.319 0.000 2.520 38 D HA 0.088 4.729 4.640 0.001 0.000 0.223 38 D C 1.223 177.599 176.300 0.127 0.000 1.186 38 D CA 0.356 54.495 54.000 0.230 0.000 0.821 38 D CB 0.539 41.530 40.800 0.318 0.000 1.072 38 D HN 0.895 nan 8.370 nan 0.000 0.518 39 G N 0.111 108.957 108.800 0.078 0.000 2.149 39 G HA2 -0.029 3.932 3.960 0.001 0.000 0.235 39 G HA3 -0.029 3.932 3.960 0.001 0.000 0.235 39 G C 0.716 175.606 174.900 -0.016 0.000 1.018 39 G CA 0.315 45.412 45.100 -0.005 0.000 0.728 39 G HN 1.069 nan 8.290 nan 0.000 0.508 40 A N -2.154 120.664 122.820 -0.002 0.000 1.519 40 A HA 0.525 4.845 4.320 0.001 0.000 0.210 40 A C 0.854 178.428 177.584 -0.017 0.000 1.889 40 A CA 1.392 53.427 52.037 -0.004 0.000 1.478 40 A CB 0.039 19.058 19.000 0.032 0.000 1.432 40 A HN 0.947 nan 8.150 nan 0.000 0.340 41 T N 2.664 117.213 114.554 -0.009 0.000 2.752 41 T HA 0.541 4.892 4.350 0.001 0.000 0.295 41 T C 0.369 174.992 174.700 -0.128 0.000 0.923 41 T CA 0.532 62.583 62.100 -0.082 0.000 1.112 41 T CB 0.851 69.614 68.868 -0.175 0.000 0.884 41 T HN 0.801 nan 8.240 nan 0.000 0.525 42 A N 2.829 125.596 122.820 -0.089 0.000 2.462 42 A HA 0.563 4.883 4.320 0.001 0.000 0.243 42 A C 1.621 179.170 177.584 -0.058 0.000 1.076 42 A CA 0.219 52.223 52.037 -0.056 0.000 0.773 42 A CB -0.540 18.442 19.000 -0.029 0.000 1.010 42 A HN 1.431 nan 8.150 nan 0.000 0.493 43 G N 0.953 109.774 108.800 0.035 0.000 2.284 43 G HA2 0.150 4.111 3.960 0.001 0.000 0.247 43 G HA3 0.150 4.111 3.960 0.001 0.000 0.247 43 G C 1.816 176.710 174.900 -0.010 0.000 1.012 43 G CA 0.828 45.959 45.100 0.051 0.000 0.618 43 G HN 3.061 nan 8.290 nan 0.000 0.521 44 G N -0.729 107.960 108.800 -0.185 0.000 2.601 44 G HA2 0.127 4.088 3.960 0.001 0.000 0.252 44 G HA3 0.127 4.088 3.960 0.001 0.000 0.252 44 G C -0.221 174.231 174.900 -0.746 0.000 1.294 44 G CA 0.225 45.069 45.100 -0.427 0.000 0.912 44 G HN 1.405 nan 8.290 nan 0.000 0.574 45 F N 1.314 121.201 119.950 -0.106 0.000 2.691 45 F HA 0.494 5.022 4.527 0.001 0.000 0.371 45 F C -2.059 173.681 175.800 -0.101 0.000 1.159 45 F CA -1.608 56.347 58.000 -0.076 0.000 1.174 45 F CB 1.943 40.908 39.000 -0.059 0.000 1.419 45 F HN 0.181 nan 8.300 nan 0.000 0.514 46 P HA 0.135 nan 4.420 nan 0.000 0.269 46 P C -0.265 177.040 177.300 0.009 0.000 1.209 46 P CA 0.063 63.147 63.100 -0.027 0.000 0.776 46 P CB 0.889 32.559 31.700 -0.050 0.000 0.876 47 L N 1.264 122.478 121.223 -0.014 0.000 2.375 47 L HA 0.638 4.979 4.340 0.001 0.000 0.268 47 L C 0.700 177.567 176.870 -0.004 0.000 1.058 47 L CA -1.223 53.613 54.840 -0.006 0.000 0.803 47 L CB 1.077 43.125 42.059 -0.019 0.000 1.212 47 L HN 0.331 nan 8.230 nan 0.000 0.451 48 A N 1.993 124.817 122.820 0.006 0.000 2.331 48 A HA 0.460 4.781 4.320 0.001 0.000 0.283 48 A C 0.013 177.613 177.584 0.027 0.000 1.142 48 A CA -0.412 51.635 52.037 0.018 0.000 0.812 48 A CB 0.321 19.337 19.000 0.027 0.000 1.074 48 A HN 0.762 nan 8.150 nan 0.000 0.497 49 R N 0.136 120.655 120.500 0.033 0.000 2.615 49 R HA 0.135 4.475 4.340 0.001 0.000 0.270 49 R C 1.137 177.502 176.300 0.108 0.000 1.081 49 R CA -0.230 55.903 56.100 0.055 0.000 1.154 49 R CB 0.362 30.684 30.300 0.037 0.000 1.063 49 R HN 1.005 nan 8.270 nan 0.000 0.519 50 H N 0.785 119.857 119.070 0.004 0.000 2.457 50 H HA -0.152 4.404 4.556 0.001 0.000 0.294 50 H C 0.706 176.043 175.328 0.015 0.000 1.064 50 H CA 0.956 57.010 56.048 0.010 0.000 1.330 50 H CB 0.521 30.289 29.762 0.010 0.000 1.395 50 H HN 0.587 nan 8.280 nan 0.000 0.541 51 D N 0.742 121.127 120.400 -0.025 0.000 2.158 51 D HA -0.158 4.483 4.640 0.001 0.000 0.197 51 D C 2.191 178.459 176.300 -0.053 0.000 0.995 51 D CA 0.819 54.766 54.000 -0.088 0.000 0.846 51 D CB -0.137 40.642 40.800 -0.034 0.000 0.941 51 D HN 0.445 nan 8.370 nan 0.000 0.456 52 L N -0.122 121.102 121.223 0.002 0.000 2.478 52 L HA -0.031 4.309 4.340 0.001 0.000 0.223 52 L C 1.638 178.528 176.870 0.032 0.000 1.140 52 L CA 0.382 55.232 54.840 0.017 0.000 0.842 52 L CB 0.099 42.175 42.059 0.028 0.000 0.953 52 L HN 0.005 nan 8.230 nan 0.000 0.452 53 V N -3.212 116.734 119.914 0.053 0.000 3.070 53 V HA 0.168 4.288 4.120 0.001 0.000 0.345 53 V C 0.611 176.749 176.094 0.074 0.000 1.403 53 V CA -0.754 61.598 62.300 0.087 0.000 1.155 53 V CB -0.544 31.359 31.823 0.133 0.000 1.140 53 V HN 0.305 nan 8.190 nan 0.000 0.505 54 K N 0.895 121.272 120.400 -0.039 0.000 2.295 54 K HA 0.416 4.736 4.320 0.001 0.000 0.270 54 K C 0.924 177.536 176.600 0.020 0.000 1.011 54 K CA 0.736 56.984 56.287 -0.064 0.000 0.953 54 K CB 0.721 33.123 32.500 -0.162 0.000 0.956 54 K HN 0.923 nan 8.250 nan 0.000 0.477 55 T N -2.902 111.683 114.554 0.051 0.000 5.888 55 T HA -0.251 4.100 4.350 0.001 0.000 0.275 55 T C 0.238 175.016 174.700 0.130 0.000 2.123 55 T CA 0.542 62.690 62.100 0.080 0.000 3.523 55 T CB -2.372 66.530 68.868 0.057 0.000 1.240 55 T HN 1.151 nan 8.240 nan 0.000 1.133 56 A N 0.812 123.717 122.820 0.141 0.000 2.524 56 A HA 0.597 4.918 4.320 0.001 0.000 0.250 56 A C -0.233 177.504 177.584 0.255 0.000 1.078 56 A CA 0.196 52.331 52.037 0.163 0.000 0.761 56 A CB -0.150 18.928 19.000 0.130 0.000 1.012 56 A HN 1.364 nan 8.150 nan 0.000 0.500 57 F N 3.229 123.214 119.950 0.058 0.000 2.730 57 F HA 0.605 5.133 4.527 0.001 0.000 0.335 57 F C -1.099 174.728 175.800 0.045 0.000 1.212 57 F CA -0.755 57.279 58.000 0.057 0.000 1.016 57 F CB 1.115 40.152 39.000 0.061 0.000 1.290 57 F HN 0.430 nan 8.300 nan 0.000 0.495 58 I N 5.934 126.289 120.570 -0.358 0.000 2.465 58 I HA 0.423 4.593 4.170 0.001 0.000 0.291 58 I C -0.984 174.896 176.117 -0.396 0.000 1.014 58 I CA -0.679 60.462 61.300 -0.265 0.000 1.093 58 I CB 2.162 40.093 38.000 -0.115 0.000 1.267 58 I HN 0.464 nan 8.210 nan 0.000 0.431 59 K N 3.586 123.806 120.400 -0.301 0.000 2.259 59 K HA 0.645 4.966 4.320 0.001 0.000 0.249 59 K C 0.591 177.105 176.600 -0.142 0.000 0.942 59 K CA -0.567 55.562 56.287 -0.263 0.000 0.816 59 K CB 2.067 34.412 32.500 -0.258 0.000 1.155 59 K HN 0.626 nan 8.250 nan 0.000 0.428 60 A N 1.120 123.867 122.820 -0.120 0.000 1.902 60 A HA -0.130 4.191 4.320 0.001 0.000 0.217 60 A C 0.521 178.069 177.584 -0.060 0.000 1.181 60 A CA 1.617 53.608 52.037 -0.076 0.000 0.623 60 A CB -0.187 18.773 19.000 -0.066 0.000 0.818 60 A HN 0.704 nan 8.150 nan 0.000 0.443 61 D N -0.920 119.436 120.400 -0.074 0.000 2.461 61 D HA 0.332 4.973 4.640 0.001 0.000 0.240 61 D C 0.472 176.747 176.300 -0.040 0.000 1.094 61 D CA -0.316 53.655 54.000 -0.049 0.000 0.868 61 D CB 0.772 41.536 40.800 -0.060 0.000 1.062 61 D HN 0.205 nan 8.370 nan 0.000 0.530 62 K N 0.769 121.174 120.400 0.009 0.000 2.486 62 K HA -0.016 4.305 4.320 0.001 0.000 0.194 62 K C 1.266 177.961 176.600 0.158 0.000 1.033 62 K CA 0.408 56.733 56.287 0.064 0.000 1.004 62 K CB 0.261 32.801 32.500 0.067 0.000 0.798 62 K HN 0.297 nan 8.250 nan 0.000 0.495 63 S N -0.303 115.483 115.700 0.143 0.000 2.597 63 S HA 0.363 4.834 4.470 0.001 0.000 0.224 63 S C 0.278 175.032 174.600 0.256 0.000 0.955 63 S CA -0.632 57.724 58.200 0.260 0.000 0.933 63 S CB 0.405 63.715 63.200 0.183 0.000 0.788 63 S HN 0.168 nan 8.310 nan 0.000 0.488 64 A N 0.350 123.142 122.820 -0.046 0.000 2.515 64 A HA 0.775 5.095 4.320 0.001 0.000 0.296 64 A C -0.334 176.672 177.584 -0.962 0.000 1.094 64 A CA -0.706 51.035 52.037 -0.492 0.000 0.718 64 A CB 1.251 20.105 19.000 -0.244 0.000 1.307 64 A HN 0.467 nan 8.150 nan 0.000 0.408 65 V N 0.918 120.002 119.914 -1.383 0.000 3.096 65 V HA 0.375 4.495 4.120 0.001 0.000 0.306 65 V C 1.446 177.250 176.094 -0.482 0.000 1.088 65 V CA 0.906 62.717 62.300 -0.816 0.000 1.129 65 V CB 1.433 33.062 31.823 -0.323 0.000 1.014 65 V HN 1.536 nan 8.190 nan 0.000 0.486 66 A N 4.950 127.418 122.820 -0.586 0.000 2.206 66 A HA 0.305 4.625 4.320 0.001 0.000 0.211 66 A C 0.318 177.369 177.584 -0.888 0.000 1.158 66 A CA 0.468 52.032 52.037 -0.789 0.000 0.761 66 A CB -0.402 18.054 19.000 -0.907 0.000 0.801 66 A HN 0.653 nan 8.150 nan 0.000 0.473 67 F N -1.935 117.957 119.950 -0.096 0.000 2.579 67 F HA 0.609 5.137 4.527 0.001 0.000 0.324 67 F C 0.161 175.892 175.800 -0.115 0.000 1.058 67 F CA -0.907 57.024 58.000 -0.114 0.000 0.944 67 F CB 1.615 40.550 39.000 -0.107 0.000 1.245 67 F HN -0.300 nan 8.300 nan 0.000 0.477 68 T N 0.989 115.585 114.554 0.071 0.000 2.841 68 T HA 0.347 4.697 4.350 0.001 0.000 0.285 68 T C -0.533 174.132 174.700 -0.059 0.000 0.991 68 T CA -0.766 61.323 62.100 -0.018 0.000 0.966 68 T CB 1.530 70.372 68.868 -0.043 0.000 0.962 68 T HN 0.505 nan 8.240 nan 0.000 0.438 69 R N 1.936 122.382 120.500 -0.089 0.000 2.401 69 R HA 0.231 4.571 4.340 0.001 0.000 0.299 69 R C 1.015 177.252 176.300 -0.104 0.000 1.064 69 R CA 0.259 56.281 56.100 -0.130 0.000 1.000 69 R CB 0.303 30.519 30.300 -0.139 0.000 0.973 69 R HN 0.850 nan 8.270 nan 0.000 0.438 70 T N 0.039 114.530 114.554 -0.105 0.000 3.010 70 T HA 0.341 4.691 4.350 0.001 0.000 0.257 70 T C 0.649 175.306 174.700 -0.072 0.000 1.020 70 T CA 0.106 62.159 62.100 -0.079 0.000 0.938 70 T CB 0.906 69.731 68.868 -0.072 0.000 1.049 70 T HN 0.627 nan 8.240 nan 0.000 0.522 71 G N 0.500 109.252 108.800 -0.080 0.000 2.430 71 G HA2 0.351 4.312 3.960 0.001 0.000 0.300 71 G HA3 0.351 4.312 3.960 0.001 0.000 0.300 71 G C -0.530 174.336 174.900 -0.056 0.000 1.330 71 G CA -0.635 44.428 45.100 -0.061 0.000 0.813 71 G HN -0.108 nan 8.290 nan 0.000 0.487 72 N N -0.203 118.481 118.700 -0.027 0.000 2.205 72 N HA -0.016 4.725 4.740 0.001 0.000 0.186 72 N C 1.626 177.180 175.510 0.074 0.000 1.015 72 N CA 1.692 54.747 53.050 0.008 0.000 0.862 72 N CB 0.046 38.544 38.487 0.020 0.000 0.986 72 N HN 0.758 nan 8.380 nan 0.000 0.429 73 A N -0.799 122.037 122.820 0.025 0.000 2.609 73 A HA 0.269 4.589 4.320 0.001 0.000 0.286 73 A C 0.169 177.685 177.584 -0.112 0.000 1.138 73 A CA -0.223 51.810 52.037 -0.006 0.000 0.960 73 A CB 0.005 19.001 19.000 -0.007 0.000 1.208 73 A HN 0.213 nan 8.150 nan 0.000 0.541 74 T N -2.534 111.946 114.554 -0.124 0.000 2.893 74 T HA 0.849 5.199 4.350 0.001 0.000 0.291 74 T C -0.466 174.118 174.700 -0.193 0.000 1.028 74 T CA -0.122 61.890 62.100 -0.147 0.000 0.995 74 T CB 1.896 70.706 68.868 -0.097 0.000 1.051 74 T HN 1.268 nan 8.240 nan 0.000 0.470 75 A N 1.253 123.950 122.820 -0.205 0.000 2.609 75 A HA 0.876 5.196 4.320 0.001 0.000 0.291 75 A C -0.737 176.765 177.584 -0.137 0.000 1.096 75 A CA -0.924 50.992 52.037 -0.201 0.000 0.684 75 A CB 1.584 20.384 19.000 -0.334 0.000 1.282 75 A HN 0.908 nan 8.150 nan 0.000 0.412 76 S N -0.171 115.478 115.700 -0.086 0.000 2.570 76 S HA 0.620 5.091 4.470 0.001 0.000 0.286 76 S C -0.650 173.956 174.600 0.011 0.000 1.099 76 S CA -0.387 57.778 58.200 -0.059 0.000 0.913 76 S CB 1.552 64.719 63.200 -0.054 0.000 1.085 76 S HN 0.802 nan 8.310 nan 0.000 0.480 77 I N 1.988 122.534 120.570 -0.040 0.000 2.532 77 I HA 0.313 4.483 4.170 0.001 0.000 0.292 77 I C -0.162 175.866 176.117 -0.149 0.000 1.014 77 I CA -0.429 60.839 61.300 -0.053 0.000 1.340 77 I CB 0.617 38.438 38.000 -0.298 0.000 1.422 77 I HN 0.518 nan 8.210 nan 0.000 0.528 78 K N 5.272 125.573 120.400 -0.165 0.000 2.126 78 K HA 0.482 4.802 4.320 0.001 0.000 0.257 78 K C -0.207 176.350 176.600 -0.072 0.000 1.007 78 K CA -0.647 55.568 56.287 -0.120 0.000 0.928 78 K CB 1.037 33.447 32.500 -0.150 0.000 1.013 78 K HN 0.700 nan 8.250 nan 0.000 0.473 79 A N 0.725 123.526 122.820 -0.032 0.000 2.498 79 A HA 0.381 4.702 4.320 0.001 0.000 0.239 79 A C 1.104 178.679 177.584 -0.014 0.000 1.068 79 A CA 0.751 52.792 52.037 0.007 0.000 0.766 79 A CB -0.597 18.403 19.000 0.000 0.000 1.003 79 A HN 0.917 nan 8.150 nan 0.000 0.497 80 G N 1.529 110.335 108.800 0.010 0.000 2.143 80 G HA2 -0.188 3.772 3.960 0.001 0.000 0.249 80 G HA3 -0.188 3.772 3.960 0.001 0.000 0.249 80 G C 0.313 175.187 174.900 -0.044 0.000 0.981 80 G CA 0.474 45.562 45.100 -0.020 0.000 0.665 80 G HN 1.212 nan 8.290 nan 0.000 0.528 81 T N 1.009 115.560 114.554 -0.004 0.000 2.771 81 T HA 0.622 4.972 4.350 0.001 0.000 0.291 81 T C 0.380 175.111 174.700 0.051 0.000 0.954 81 T CA 0.133 62.199 62.100 -0.057 0.000 1.045 81 T CB 1.423 70.245 68.868 -0.076 0.000 0.917 81 T HN 0.334 nan 8.240 nan 0.000 0.484 82 I N 3.348 123.875 120.570 -0.073 0.000 2.436 82 I HA 0.511 4.682 4.170 0.001 0.000 0.289 82 I C -0.735 175.395 176.117 0.020 0.000 1.010 82 I CA -0.997 60.293 61.300 -0.016 0.000 1.098 82 I CB 1.941 39.918 38.000 -0.039 0.000 1.266 82 I HN 0.274 nan 8.210 nan 0.000 0.434 83 V N 5.004 124.995 119.914 0.128 0.000 2.577 83 V HA 0.316 4.437 4.120 0.001 0.000 0.303 83 V C -0.089 176.114 176.094 0.180 0.000 1.042 83 V CA -0.765 61.686 62.300 0.251 0.000 0.872 83 V CB 1.983 34.041 31.823 0.392 0.000 0.998 83 V HN 0.670 nan 8.190 nan 0.000 0.423 84 E N 3.093 123.407 120.200 0.189 0.000 2.290 84 E HA 0.416 4.766 4.350 0.001 0.000 0.277 84 E C -1.356 175.338 176.600 0.156 0.000 1.035 84 E CA 0.034 56.536 56.400 0.170 0.000 0.873 84 E CB 1.752 31.564 29.700 0.187 0.000 1.029 84 E HN 0.595 nan 8.360 nan 0.000 0.419 85 V N 6.168 126.164 119.914 0.137 0.000 2.577 85 V HA 0.217 4.338 4.120 0.001 0.000 0.294 85 V C -0.501 175.659 176.094 0.109 0.000 1.052 85 V CA -0.456 61.915 62.300 0.119 0.000 0.891 85 V CB 1.102 32.997 31.823 0.120 0.000 1.017 85 V HN 0.920 nan 8.190 nan 0.000 0.436 86 N N 4.820 123.577 118.700 0.096 0.000 2.738 86 N HA -0.136 4.604 4.740 0.001 0.000 0.249 86 N C 1.058 176.634 175.510 0.110 0.000 1.047 86 N CA 1.963 55.065 53.050 0.087 0.000 0.707 86 N CB -1.075 37.463 38.487 0.084 0.000 0.937 86 N HN 2.202 nan 8.380 nan 0.000 0.545 87 G N -1.690 107.210 108.800 0.165 0.000 2.320 87 G HA2 -0.352 3.609 3.960 0.001 0.000 0.242 87 G HA3 -0.352 3.609 3.960 0.001 0.000 0.242 87 G C 0.295 175.334 174.900 0.232 0.000 1.033 87 G CA 0.700 45.978 45.100 0.296 0.000 0.620 87 G HN 0.575 nan 8.290 nan 0.000 0.517 88 K N -0.003 120.473 120.400 0.126 0.000 2.120 88 K HA 0.610 4.930 4.320 0.001 0.000 0.245 88 K C -0.355 176.273 176.600 0.047 0.000 1.024 88 K CA -0.489 55.831 56.287 0.054 0.000 0.906 88 K CB 1.351 33.876 32.500 0.040 0.000 1.051 88 K HN 0.252 nan 8.250 nan 0.000 0.491 89 L N 2.248 123.466 121.223 -0.009 0.000 2.318 89 L HA 0.279 4.620 4.340 0.001 0.000 0.277 89 L C -1.318 175.518 176.870 -0.056 0.000 1.008 89 L CA -0.761 54.068 54.840 -0.019 0.000 0.846 89 L CB 1.293 43.321 42.059 -0.052 0.000 1.220 89 L HN 0.196 nan 8.230 nan 0.000 0.423 90 V N 5.246 125.127 119.914 -0.056 0.000 2.370 90 V HA 0.401 4.521 4.120 0.001 0.000 0.279 90 V C -0.249 175.681 176.094 -0.274 0.000 1.029 90 V CA -0.432 61.758 62.300 -0.183 0.000 0.870 90 V CB 1.412 33.161 31.823 -0.122 0.000 0.984 90 V HN 0.844 nan 8.190 nan 0.000 0.451 91 Q N 3.765 123.313 119.800 -0.420 0.000 2.413 91 Q HA 0.768 5.108 4.340 0.001 0.000 0.276 91 Q C -1.750 173.901 176.000 -0.582 0.000 1.099 91 Q CA -0.797 54.797 55.803 -0.349 0.000 0.814 91 Q CB 2.443 31.092 28.738 -0.148 0.000 1.379 91 Q HN 0.489 nan 8.270 nan 0.000 0.436 92 F N 1.228 121.166 119.950 -0.019 0.000 2.430 92 F HA 0.272 4.800 4.527 0.001 0.000 0.362 92 F C 1.058 176.842 175.800 -0.027 0.000 1.103 92 F CA -0.712 57.279 58.000 -0.015 0.000 1.045 92 F CB 1.957 40.953 39.000 -0.008 0.000 1.276 92 F HN 0.824 nan 8.300 nan 0.000 0.444 93 T N -0.652 113.951 114.554 0.082 0.000 2.985 93 T HA 0.367 4.718 4.350 0.001 0.000 0.266 93 T C 0.773 175.502 174.700 0.049 0.000 1.076 93 T CA 0.643 62.768 62.100 0.041 0.000 1.135 93 T CB 0.137 69.010 68.868 0.007 0.000 0.890 93 T HN 0.477 nan 8.240 nan 0.000 0.480 94 A N 0.850 123.714 122.820 0.074 0.000 2.386 94 A HA 0.610 4.931 4.320 0.001 0.000 0.308 94 A C -1.171 176.453 177.584 0.067 0.000 1.128 94 A CA -0.911 51.158 52.037 0.053 0.000 0.789 94 A CB 0.882 19.904 19.000 0.038 0.000 1.325 94 A HN 0.184 nan 8.150 nan 0.000 0.437 95 D N 1.771 122.186 120.400 0.025 0.000 2.472 95 D HA 0.327 4.968 4.640 0.001 0.000 0.248 95 D C -0.210 176.098 176.300 0.013 0.000 1.174 95 D CA 1.443 55.444 54.000 0.000 0.000 0.883 95 D CB 0.321 41.110 40.800 -0.018 0.000 1.149 95 D HN 0.341 nan 8.370 nan 0.000 0.488 96 T N 1.662 116.213 114.554 -0.006 0.000 2.792 96 T HA 0.612 4.963 4.350 0.001 0.000 0.280 96 T C 0.152 174.827 174.700 -0.042 0.000 0.990 96 T CA -0.774 61.337 62.100 0.019 0.000 0.960 96 T CB 1.558 70.505 68.868 0.132 0.000 0.939 96 T HN 0.365 nan 8.240 nan 0.000 0.439 97 A N 3.574 126.383 122.820 -0.018 0.000 2.498 97 A HA 0.499 4.819 4.320 0.001 0.000 0.239 97 A C 0.129 177.682 177.584 -0.051 0.000 1.068 97 A CA -0.221 51.792 52.037 -0.040 0.000 0.766 97 A CB -0.291 18.693 19.000 -0.027 0.000 1.003 97 A HN 0.866 nan 8.150 nan 0.000 0.497 98 I N 1.893 122.413 120.570 -0.082 0.000 2.342 98 I HA 0.135 4.306 4.170 0.001 0.000 0.291 98 I C 0.438 176.515 176.117 -0.067 0.000 1.010 98 I CA -0.074 61.173 61.300 -0.089 0.000 1.308 98 I CB 1.422 39.336 38.000 -0.144 0.000 1.400 98 I HN 0.593 nan 8.210 nan 0.000 0.488 99 T N 7.698 122.230 114.554 -0.036 0.000 2.817 99 T HA 0.209 4.559 4.350 0.001 0.000 0.295 99 T C 0.187 174.864 174.700 -0.038 0.000 0.958 99 T CA -0.099 61.986 62.100 -0.025 0.000 1.157 99 T CB 0.078 68.949 68.868 0.004 0.000 0.898 99 T HN 0.285 nan 8.240 nan 0.000 0.536 100 M N 5.188 124.753 119.600 -0.058 0.000 2.404 100 M HA 0.416 4.897 4.480 0.001 0.000 0.338 100 M C -1.809 174.443 176.300 -0.079 0.000 1.150 100 M CA -2.683 52.564 55.300 -0.088 0.000 1.016 100 M CB 1.005 33.523 32.600 -0.137 0.000 1.672 100 M HN 0.408 nan 8.290 nan 0.000 0.448 101 P HA 0.439 nan 4.420 nan 0.000 0.293 101 P C -0.984 176.248 177.300 -0.113 0.000 1.304 101 P CA -0.606 62.459 63.100 -0.059 0.000 0.767 101 P CB 0.262 31.965 31.700 0.004 0.000 1.247 102 A N 0.261 123.044 122.820 -0.063 0.000 2.548 102 A HA 0.266 4.586 4.320 0.001 0.000 0.247 102 A C 0.290 177.788 177.584 -0.143 0.000 1.067 102 A CA 0.039 52.030 52.037 -0.078 0.000 0.757 102 A CB -1.067 17.925 19.000 -0.012 0.000 0.996 102 A HN 0.425 nan 8.150 nan 0.000 0.504 103 L N 2.747 123.788 121.223 -0.302 0.000 2.295 103 L HA 0.455 4.796 4.340 0.001 0.000 0.285 103 L C 0.132 176.852 176.870 -0.251 0.000 1.035 103 L CA -0.281 54.203 54.840 -0.593 0.000 0.806 103 L CB 1.836 43.054 42.059 -1.402 0.000 1.214 103 L HN 0.653 nan 8.230 nan 0.000 0.426 104 T N 2.192 116.806 114.554 0.099 0.000 2.792 104 T HA 0.491 4.842 4.350 0.001 0.000 0.280 104 T C 0.179 175.138 174.700 0.431 0.000 0.990 104 T CA -0.506 61.753 62.100 0.265 0.000 0.960 104 T CB 1.661 70.656 68.868 0.210 0.000 0.939 104 T HN 0.687 nan 8.240 nan 0.000 0.439 105 A N 2.055 125.073 122.820 0.331 0.000 2.584 105 A HA 0.467 4.788 4.320 0.001 0.000 0.239 105 A C 1.499 178.985 177.584 -0.163 0.000 1.043 105 A CA 0.612 52.677 52.037 0.046 0.000 0.756 105 A CB -0.794 18.156 19.000 -0.084 0.000 0.963 105 A HN 1.813 nan 8.150 nan 0.000 0.511 106 G N 2.261 110.869 108.800 -0.320 0.000 2.225 106 G HA2 -0.103 3.858 3.960 0.001 0.000 0.264 106 G HA3 -0.103 3.858 3.960 0.001 0.000 0.264 106 G C 0.158 175.160 174.900 0.169 0.000 1.060 106 G CA 0.461 45.421 45.100 -0.233 0.000 0.833 106 G HN 1.368 nan 8.290 nan 0.000 0.498 107 T N 0.548 115.168 114.554 0.111 0.000 2.876 107 T HA 0.533 4.883 4.350 0.001 0.000 0.289 107 T C -0.703 174.048 174.700 0.085 0.000 1.014 107 T CA -0.716 61.444 62.100 0.100 0.000 0.986 107 T CB 2.001 70.873 68.868 0.006 0.000 1.021 107 T HN 0.176 nan 8.240 nan 0.000 0.458 108 D N 1.470 121.903 120.400 0.055 0.000 2.210 108 D HA 0.373 5.014 4.640 0.001 0.000 0.249 108 D C -0.836 175.330 176.300 -0.224 0.000 1.062 108 D CA 0.044 54.130 54.000 0.144 0.000 0.891 108 D CB 1.252 42.204 40.800 0.253 0.000 1.186 108 D HN 0.436 nan 8.370 nan 0.000 0.432 109 Y N -0.095 120.130 120.300 -0.125 0.000 2.462 109 Y HA 0.498 5.049 4.550 0.001 0.000 0.346 109 Y C 0.311 175.829 175.900 -0.636 0.000 0.976 109 Y CA -1.073 56.737 58.100 -0.483 0.000 1.044 109 Y CB 1.864 39.730 38.460 -0.989 0.000 1.230 109 Y HN 0.360 nan 8.280 nan 0.000 0.455 110 A N 3.318 125.648 122.820 -0.817 0.000 2.303 110 A HA 0.787 5.107 4.320 0.001 0.000 0.317 110 A C -0.861 176.365 177.584 -0.597 0.000 1.149 110 A CA -0.608 50.870 52.037 -0.932 0.000 0.822 110 A CB 0.354 18.502 19.000 -1.420 0.000 1.131 110 A HN 0.741 nan 8.150 nan 0.000 0.493 111 I N 1.485 121.661 120.570 -0.656 0.000 2.377 111 I HA 0.370 4.540 4.170 0.001 0.000 0.293 111 I C -1.228 174.571 176.117 -0.530 0.000 0.987 111 I CA -0.252 60.757 61.300 -0.485 0.000 1.185 111 I CB 1.231 38.822 38.000 -0.683 0.000 1.341 111 I HN 0.625 nan 8.210 nan 0.000 0.455 112 Y N 4.610 124.800 120.300 -0.184 0.000 2.409 112 Y HA 0.531 5.081 4.550 0.001 0.000 0.343 112 Y C -0.184 175.672 175.900 -0.072 0.000 0.973 112 Y CA -0.962 57.060 58.100 -0.129 0.000 1.064 112 Y CB 1.982 40.341 38.460 -0.167 0.000 1.207 112 Y HN 0.129 nan 8.280 nan 0.000 0.452 113 V N 3.325 123.331 119.914 0.153 0.000 2.394 113 V HA 0.341 4.462 4.120 0.001 0.000 0.282 113 V C -0.246 175.917 176.094 0.115 0.000 1.031 113 V CA -0.728 61.686 62.300 0.190 0.000 0.881 113 V CB 0.702 32.713 31.823 0.314 0.000 0.982 113 V HN 0.900 nan 8.190 nan 0.000 0.451 114 C N 3.200 122.523 119.300 0.038 0.000 2.349 114 C HA 0.373 4.833 4.460 0.001 0.000 0.361 114 C C 1.394 176.416 174.990 0.053 0.000 1.189 114 C CA -0.591 58.393 59.018 -0.056 0.000 2.155 114 C CB 1.357 28.883 27.740 -0.356 0.000 2.336 114 C HN 0.972 nan 8.230 nan 0.000 0.540 115 D N -0.209 120.244 120.400 0.088 0.000 2.352 115 D HA -0.065 4.575 4.640 0.001 0.000 0.232 115 D C 0.517 176.871 176.300 0.090 0.000 1.055 115 D CA 0.470 54.526 54.000 0.093 0.000 0.891 115 D CB -0.492 40.368 40.800 0.099 0.000 0.897 115 D HN 0.699 nan 8.370 nan 0.000 0.529 116 D N -1.511 118.959 120.400 0.117 0.000 2.368 116 D HA 0.223 4.864 4.640 0.001 0.000 0.218 116 D C 1.656 177.994 176.300 0.064 0.000 1.112 116 D CA 0.035 54.095 54.000 0.099 0.000 0.834 116 D CB -0.129 40.761 40.800 0.149 0.000 0.953 116 D HN 0.203 nan 8.370 nan 0.000 0.505 117 G N 0.345 109.169 108.800 0.041 0.000 2.179 117 G HA2 -0.288 3.673 3.960 0.001 0.000 0.260 117 G HA3 -0.288 3.673 3.960 0.001 0.000 0.260 117 G C 0.531 175.496 174.900 0.108 0.000 0.977 117 G CA 0.592 45.690 45.100 -0.004 0.000 0.641 117 G HN 0.784 nan 8.290 nan 0.000 0.533 118 T N -2.168 112.463 114.554 0.128 0.000 2.913 118 T HA 0.676 5.026 4.350 0.001 0.000 0.287 118 T C 0.033 174.830 174.700 0.162 0.000 1.008 118 T CA -0.116 62.073 62.100 0.148 0.000 1.067 118 T CB 2.655 71.582 68.868 0.097 0.000 0.996 118 T HN 1.419 nan 8.240 nan 0.000 0.513 119 V N 3.267 123.262 119.914 0.135 0.000 2.656 119 V HA 0.858 4.979 4.120 0.001 0.000 0.307 119 V C -0.893 175.197 176.094 -0.006 0.000 1.051 119 V CA -0.913 61.420 62.300 0.056 0.000 0.893 119 V CB 1.495 33.294 31.823 -0.040 0.000 0.999 119 V HN 1.289 nan 8.190 nan 0.000 0.426 120 R N 5.203 125.692 120.500 -0.018 0.000 2.663 120 R HA 0.882 5.223 4.340 0.001 0.000 0.267 120 R C -1.320 174.994 176.300 0.023 0.000 1.038 120 R CA -0.495 55.597 56.100 -0.014 0.000 0.886 120 R CB 1.792 32.078 30.300 -0.022 0.000 1.249 120 R HN 0.927 nan 8.270 nan 0.000 0.463 121 A N 1.031 123.864 122.820 0.022 0.000 2.311 121 A HA 0.698 5.018 4.320 0.001 0.000 0.334 121 A C -1.029 176.608 177.584 0.089 0.000 1.139 121 A CA -0.463 51.603 52.037 0.049 0.000 0.830 121 A CB 1.373 20.430 19.000 0.096 0.000 1.234 121 A HN 0.806 nan 8.150 nan 0.000 0.483 122 D N -0.627 119.855 120.400 0.137 0.000 2.769 122 D HA 0.187 4.827 4.640 0.001 0.000 0.219 122 D C 0.756 177.146 176.300 0.150 0.000 1.245 122 D CA 0.402 54.505 54.000 0.172 0.000 0.801 122 D CB 1.994 42.855 40.800 0.101 0.000 1.598 122 D HN 0.467 nan 8.370 nan 0.000 0.485 123 S N 2.163 117.953 115.700 0.151 0.000 2.474 123 S HA -0.082 4.388 4.470 0.001 0.000 0.235 123 S C 0.825 175.482 174.600 0.094 0.000 0.997 123 S CA 0.255 58.400 58.200 -0.090 0.000 0.949 123 S CB -0.040 63.087 63.200 -0.123 0.000 0.766 123 S HN 0.421 nan 8.310 nan 0.000 0.517 124 N N 0.539 119.301 118.700 0.103 0.000 2.458 124 N HA 0.189 4.930 4.740 0.001 0.000 0.270 124 N C -0.943 174.686 175.510 0.199 0.000 1.102 124 N CA -0.292 52.858 53.050 0.167 0.000 0.967 124 N CB 0.420 38.961 38.487 0.091 0.000 1.078 124 N HN 0.185 nan 8.380 nan 0.000 0.471 125 F N 1.393 121.431 119.950 0.146 0.000 2.660 125 F HA 0.208 4.735 4.527 0.001 0.000 0.302 125 F C 1.900 177.837 175.800 0.229 0.000 1.103 125 F CA -0.081 58.033 58.000 0.190 0.000 1.340 125 F CB 0.464 39.524 39.000 0.100 0.000 1.048 125 F HN 0.440 nan 8.300 nan 0.000 0.551 126 S N -0.561 115.326 115.700 0.312 0.000 2.510 126 S HA 0.605 5.076 4.470 0.001 0.000 0.230 126 S C 0.620 175.324 174.600 0.173 0.000 1.066 126 S CA 0.428 58.762 58.200 0.223 0.000 0.941 126 S CB 0.313 63.595 63.200 0.137 0.000 0.829 126 S HN 0.125 nan 8.310 nan 0.000 0.530 127 A N 1.481 124.306 122.820 0.008 0.000 2.604 127 A HA 0.706 5.026 4.320 0.001 0.000 0.295 127 A C -3.140 174.164 177.584 -0.467 0.000 1.067 127 A CA -1.464 50.368 52.037 -0.342 0.000 0.683 127 A CB 0.845 19.760 19.000 -0.141 0.000 1.281 127 A HN 0.083 nan 8.150 nan 0.000 0.407 128 P HA 0.291 nan 4.420 nan 0.000 0.276 128 P C 0.088 177.345 177.300 -0.071 0.000 1.252 128 P CA -0.003 62.870 63.100 -0.379 0.000 0.802 128 P CB 0.767 32.188 31.700 -0.464 0.000 1.035 129 T N -0.053 114.508 114.554 0.012 0.000 2.888 129 T HA 0.380 4.730 4.350 0.001 0.000 0.301 129 T C 1.263 176.018 174.700 0.093 0.000 1.001 129 T CA 1.467 63.592 62.100 0.041 0.000 1.147 129 T CB -1.323 67.562 68.868 0.030 0.000 0.931 129 T HN 0.777 nan 8.240 nan 0.000 0.541 130 G N 3.209 112.002 108.800 -0.011 0.000 2.175 130 G HA2 -0.184 3.777 3.960 0.001 0.000 0.244 130 G HA3 -0.184 3.777 3.960 0.001 0.000 0.244 130 G C -0.179 174.442 174.900 -0.465 0.000 0.982 130 G CA 0.318 45.294 45.100 -0.206 0.000 0.641 130 G HN 0.754 nan 8.290 nan 0.000 0.527 131 Y N -0.380 119.872 120.300 -0.081 0.000 2.669 131 Y HA 0.706 5.256 4.550 0.001 0.000 0.335 131 Y C 0.719 176.565 175.900 -0.090 0.000 1.116 131 Y CA -0.311 57.739 58.100 -0.084 0.000 1.081 131 Y CB 1.468 39.860 38.460 -0.114 0.000 1.297 131 Y HN 0.360 nan 8.280 nan 0.000 0.484 132 T N -3.206 111.415 114.554 0.111 0.000 2.905 132 T HA 0.287 4.638 4.350 0.001 0.000 0.283 132 T C 0.792 175.516 174.700 0.039 0.000 1.031 132 T CA -0.163 61.966 62.100 0.047 0.000 1.002 132 T CB 1.176 70.069 68.868 0.042 0.000 1.200 132 T HN 0.675 nan 8.240 nan 0.000 0.560 133 S N -0.817 114.909 115.700 0.044 0.000 2.555 133 S HA -0.023 4.447 4.470 0.001 0.000 0.230 133 S C 1.528 176.177 174.600 0.081 0.000 0.978 133 S CA 0.835 59.080 58.200 0.075 0.000 0.934 133 S CB -1.055 62.199 63.200 0.090 0.000 0.766 133 S HN 0.752 nan 8.310 nan 0.000 0.533 134 T N 2.387 116.983 114.554 0.070 0.000 2.939 134 T HA 0.005 4.355 4.350 0.001 0.000 0.254 134 T C 2.067 176.818 174.700 0.084 0.000 1.041 134 T CA 1.575 63.717 62.100 0.070 0.000 1.142 134 T CB -0.528 68.374 68.868 0.056 0.000 0.874 134 T HN 0.801 nan 8.240 nan 0.000 0.452 135 T N -0.324 114.292 114.554 0.102 0.000 3.129 135 T HA 0.566 4.917 4.350 0.001 0.000 0.251 135 T C 0.421 175.195 174.700 0.123 0.000 1.117 135 T CA -0.020 62.164 62.100 0.141 0.000 1.034 135 T CB -0.007 68.982 68.868 0.202 0.000 0.968 135 T HN 0.281 nan 8.240 nan 0.000 0.526 136 A N 1.168 124.029 122.820 0.069 0.000 2.385 136 A HA 0.706 5.026 4.320 0.001 0.000 0.290 136 A C -0.377 177.303 177.584 0.161 0.000 1.094 136 A CA -0.987 51.049 52.037 -0.002 0.000 0.729 136 A CB 1.145 19.997 19.000 -0.246 0.000 1.194 136 A HN 0.368 nan 8.150 nan 0.000 0.442 137 R N 2.384 122.999 120.500 0.191 0.000 2.229 137 R HA 0.322 4.662 4.340 0.001 0.000 0.328 137 R C -0.235 176.155 176.300 0.150 0.000 1.009 137 R CA -0.468 55.739 56.100 0.178 0.000 0.864 137 R CB 0.678 31.047 30.300 0.115 0.000 1.085 137 R HN 0.706 nan 8.270 nan 0.000 0.453 138 K N 3.852 124.283 120.400 0.052 0.000 2.378 138 K HA 0.049 4.370 4.320 0.001 0.000 0.288 138 K C 0.522 176.964 176.600 -0.262 0.000 1.057 138 K CA -0.083 55.980 56.287 -0.374 0.000 0.971 138 K CB 0.687 33.008 32.500 -0.298 0.000 0.975 138 K HN 0.555 nan 8.250 nan 0.000 0.475 139 V N 0.737 120.451 119.914 -0.334 0.000 3.432 139 V HA 0.516 4.636 4.120 0.001 0.000 0.298 139 V C 0.439 176.322 176.094 -0.351 0.000 1.464 139 V CA 0.350 62.441 62.300 -0.349 0.000 1.046 139 V CB 0.010 31.685 31.823 -0.246 0.000 0.887 139 V HN 0.866 nan 8.190 nan 0.000 0.441 140 G N -1.245 107.164 108.800 -0.651 0.000 2.336 140 G HA2 0.635 4.596 3.960 0.001 0.000 0.286 140 G HA3 0.635 4.596 3.960 0.001 0.000 0.286 140 G C -0.422 173.608 174.900 -1.450 0.000 1.269 140 G CA 0.324 44.649 45.100 -1.291 0.000 0.873 140 G HN 1.401 nan 8.290 nan 0.000 0.494 141 G N -1.856 106.096 108.800 -1.412 0.000 2.342 141 G HA2 0.852 4.813 3.960 0.001 0.000 0.297 141 G HA3 0.852 4.813 3.960 0.001 0.000 0.297 141 G C -1.344 173.553 174.900 -0.005 0.000 1.313 141 G CA 0.475 45.230 45.100 -0.575 0.000 0.830 141 G HN 2.088 nan 8.290 nan 0.000 0.506 142 F N -2.347 117.744 119.950 0.235 0.000 2.773 142 F HA 0.789 5.317 4.527 0.001 0.000 0.314 142 F C -1.303 174.809 175.800 0.519 0.000 1.160 142 F CA -1.393 56.833 58.000 0.377 0.000 0.920 142 F CB 1.469 40.589 39.000 0.201 0.000 1.323 142 F HN 0.724 nan 8.300 nan 0.000 0.457 143 H N 0.705 120.138 119.070 0.605 0.000 2.488 143 H HA 0.382 4.939 4.556 0.001 0.000 0.322 143 H C -1.815 173.895 175.328 0.636 0.000 1.078 143 H CA -0.927 55.423 56.048 0.503 0.000 1.260 143 H CB 1.024 31.022 29.762 0.393 0.000 1.425 143 H HN 0.686 nan 8.280 nan 0.000 0.471 144 Y N 4.729 125.035 120.300 0.009 0.000 2.535 144 Y HA 0.492 5.043 4.550 0.001 0.000 0.349 144 Y C -0.432 175.259 175.900 -0.349 0.000 0.992 144 Y CA -0.655 57.461 58.100 0.027 0.000 1.248 144 Y CB -0.261 38.335 38.460 0.227 0.000 1.124 144 Y HN 0.822 nan 8.280 nan 0.000 0.520 145 A N 8.148 130.729 122.820 -0.399 0.000 2.304 145 A HA 0.430 4.751 4.320 0.001 0.000 0.271 145 A C -1.785 175.636 177.584 -0.271 0.000 1.091 145 A CA -1.507 50.411 52.037 -0.198 0.000 0.812 145 A CB 0.252 19.308 19.000 0.092 0.000 1.056 145 A HN 0.657 nan 8.150 nan 0.000 0.489 146 P HA 0.115 nan 4.420 nan 0.000 0.237 146 P C 0.541 177.974 177.300 0.222 0.000 1.178 146 P CA 1.369 64.407 63.100 -0.103 0.000 0.766 146 P CB 0.219 31.726 31.700 -0.323 0.000 0.876 147 G N -0.641 108.306 108.800 0.245 0.000 2.559 147 G HA2 0.393 4.353 3.960 0.001 0.000 0.291 147 G HA3 0.393 4.353 3.960 0.001 0.000 0.291 147 G C -1.090 173.852 174.900 0.072 0.000 1.424 147 G CA -0.333 44.876 45.100 0.182 0.000 0.786 147 G HN 0.035 nan 8.290 nan 0.000 0.485 148 S N 0.345 116.043 115.700 -0.004 0.000 2.593 148 S HA 0.330 4.801 4.470 0.001 0.000 0.269 148 S C 0.378 174.977 174.600 -0.002 0.000 1.334 148 S CA -0.571 57.617 58.200 -0.020 0.000 1.015 148 S CB 0.685 63.853 63.200 -0.052 0.000 0.912 148 S HN 0.549 nan 8.310 nan 0.000 0.541 149 N N 1.086 119.792 118.700 0.010 0.000 2.381 149 N HA 0.332 5.073 4.740 0.001 0.000 0.241 149 N C -0.045 175.427 175.510 -0.063 0.000 1.279 149 N CA 0.199 53.253 53.050 0.006 0.000 0.896 149 N CB 0.060 38.585 38.487 0.063 0.000 1.118 149 N HN 0.949 nan 8.380 nan 0.000 0.438 150 A N 0.436 123.188 122.820 -0.114 0.000 2.451 150 A HA 0.434 4.754 4.320 0.001 0.000 0.266 150 A C 1.124 178.615 177.584 -0.154 0.000 1.119 150 A CA -0.012 51.928 52.037 -0.162 0.000 0.786 150 A CB -0.109 18.755 19.000 -0.227 0.000 1.061 150 A HN 0.741 nan 8.150 nan 0.000 0.503 151 A N 2.238 124.983 122.820 -0.126 0.000 2.067 151 A HA 0.426 4.747 4.320 0.001 0.000 0.217 151 A C 1.456 178.979 177.584 -0.102 0.000 1.156 151 A CA 1.973 53.951 52.037 -0.098 0.000 0.683 151 A CB -0.245 18.707 19.000 -0.080 0.000 0.808 151 A HN 1.689 nan 8.150 nan 0.000 0.455 152 A N -1.707 121.028 122.820 -0.142 0.000 3.077 152 A HA 0.599 4.920 4.320 0.001 0.000 0.179 152 A C -0.139 177.281 177.584 -0.274 0.000 0.929 152 A CA 0.011 51.960 52.037 -0.146 0.000 1.294 152 A CB 0.161 19.097 19.000 -0.107 0.000 1.984 152 A HN 0.109 nan 8.150 nan 0.000 0.732 153 Q N -0.450 119.194 119.800 -0.259 0.000 2.215 153 Q HA 0.537 4.878 4.340 0.001 0.000 0.337 153 Q C -0.409 175.447 176.000 -0.239 0.000 0.887 153 Q CA 0.332 55.935 55.803 -0.333 0.000 1.134 153 Q CB 1.267 29.807 28.738 -0.330 0.000 1.303 153 Q HN 0.696 nan 8.270 nan 0.000 0.421 154 A N -0.050 122.635 122.820 -0.224 0.000 2.605 154 A HA 0.615 4.935 4.320 0.001 0.000 0.292 154 A C 0.766 178.204 177.584 -0.243 0.000 1.055 154 A CA 0.155 52.065 52.037 -0.211 0.000 0.969 154 A CB 0.252 19.149 19.000 -0.172 0.000 1.236 154 A HN 0.482 nan 8.150 nan 0.000 0.534 155 G N -0.709 107.942 108.800 -0.248 0.000 2.645 155 G HA2 0.266 4.227 3.960 0.001 0.000 0.246 155 G HA3 0.266 4.227 3.960 0.001 0.000 0.246 155 G C 0.502 175.275 174.900 -0.212 0.000 1.322 155 G CA -0.215 44.741 45.100 -0.239 0.000 0.898 155 G HN 1.625 nan 8.290 nan 0.000 0.573 156 G N -0.763 107.907 108.800 -0.217 0.000 3.175 156 G HA2 0.783 4.744 3.960 0.001 0.000 0.255 156 G HA3 0.783 4.744 3.960 0.001 0.000 0.255 156 G C 0.004 174.754 174.900 -0.251 0.000 1.352 156 G CA 0.552 45.539 45.100 -0.190 0.000 1.037 156 G HN 1.573 nan 8.290 nan 0.000 0.556 157 N N -2.362 116.217 118.700 -0.203 0.000 2.823 157 N HA 0.447 5.188 4.740 0.001 0.000 0.324 157 N C 0.340 175.717 175.510 -0.221 0.000 1.336 157 N CA 0.227 53.152 53.050 -0.210 0.000 0.861 157 N CB 0.623 39.035 38.487 -0.126 0.000 1.157 157 N HN 0.476 nan 8.380 nan 0.000 0.585 158 T N -4.802 109.681 114.554 -0.119 0.000 3.266 158 T HA 0.282 4.633 4.350 0.001 0.000 0.278 158 T C -0.490 174.249 174.700 0.065 0.000 1.010 158 T CA -0.528 61.594 62.100 0.036 0.000 0.909 158 T CB -1.244 67.673 68.868 0.081 0.000 1.122 158 T HN 0.394 nan 8.240 nan 0.000 0.536 159 T N 3.386 117.945 114.554 0.009 0.000 2.747 159 T HA 0.622 4.972 4.350 0.001 0.000 0.301 159 T C 0.674 175.347 174.700 -0.045 0.000 0.952 159 T CA -0.433 61.665 62.100 -0.004 0.000 0.983 159 T CB 0.436 69.292 68.868 -0.020 0.000 0.930 159 T HN 0.647 nan 8.240 nan 0.000 0.494 160 A N 4.913 127.691 122.820 -0.071 0.000 2.540 160 A HA 0.445 4.766 4.320 0.001 0.000 0.239 160 A C 0.442 177.758 177.584 -0.447 0.000 1.061 160 A CA -0.009 51.851 52.037 -0.295 0.000 0.758 160 A CB 0.046 18.905 19.000 -0.234 0.000 0.991 160 A HN 0.881 nan 8.150 nan 0.000 0.502 161 Q N 1.408 120.772 119.800 -0.727 0.000 2.702 161 Q HA 0.518 4.859 4.340 0.001 0.000 0.289 161 Q C -1.411 174.420 176.000 -0.283 0.000 0.923 161 Q CA -0.962 54.603 55.803 -0.397 0.000 0.787 161 Q CB 0.617 29.278 28.738 -0.128 0.000 1.476 161 Q HN 0.524 nan 8.270 nan 0.000 0.402 162 I N 2.246 122.836 120.570 0.034 0.000 2.618 162 I HA 0.025 4.195 4.170 0.001 0.000 0.284 162 I C 0.172 176.319 176.117 0.049 0.000 1.146 162 I CA -0.073 61.287 61.300 0.100 0.000 1.425 162 I CB 0.248 38.188 38.000 -0.100 0.000 1.383 162 I HN 0.545 nan 8.210 nan 0.000 0.562 163 N N 6.019 124.814 118.700 0.158 0.000 2.420 163 N HA 0.008 4.749 4.740 0.001 0.000 0.249 163 N C 0.988 176.580 175.510 0.136 0.000 1.033 163 N CA -0.340 52.810 53.050 0.166 0.000 0.944 163 N CB 0.817 39.480 38.487 0.294 0.000 1.113 163 N HN 0.655 nan 8.380 nan 0.000 0.502 164 E N 3.126 123.300 120.200 -0.042 0.000 2.118 164 E HA -0.246 4.105 4.350 0.001 0.000 0.195 164 E C 0.317 176.884 176.600 -0.055 0.000 0.992 164 E CA 1.417 57.730 56.400 -0.145 0.000 0.804 164 E CB -0.396 29.082 29.700 -0.370 0.000 0.741 164 E HN 0.630 nan 8.360 nan 0.000 0.458 165 Y N 1.717 122.134 120.300 0.195 0.000 2.516 165 Y HA 0.012 4.562 4.550 0.001 0.000 0.291 165 Y C 2.590 178.646 175.900 0.260 0.000 1.131 165 Y CA 0.864 59.076 58.100 0.186 0.000 1.281 165 Y CB 0.015 38.593 38.460 0.198 0.000 1.013 165 Y HN 0.225 nan 8.280 nan 0.000 0.554 166 S N -0.666 115.329 115.700 0.491 0.000 2.562 166 S HA 0.055 4.525 4.470 0.001 0.000 0.221 166 S C 0.514 175.575 174.600 0.768 0.000 0.975 166 S CA -0.194 58.390 58.200 0.641 0.000 0.918 166 S CB -0.764 62.791 63.200 0.592 0.000 0.772 166 S HN 0.258 nan 8.310 nan 0.000 0.531 167 L N 3.942 125.537 121.223 0.620 0.000 2.462 167 L HA 0.254 4.595 4.340 0.001 0.000 0.272 167 L C 0.283 177.660 176.870 0.844 0.000 1.166 167 L CA -0.263 54.937 54.840 0.600 0.000 0.880 167 L CB 0.159 42.465 42.059 0.411 0.000 1.142 167 L HN 0.562 nan 8.230 nan 0.000 0.473 168 W N 3.550 125.231 121.300 0.634 0.000 2.950 168 W HA 0.632 5.292 4.660 0.001 0.000 0.340 168 W C -1.278 175.569 176.519 0.547 0.000 1.139 168 W CA -1.210 56.497 57.345 0.604 0.000 1.188 168 W CB 1.212 30.827 29.460 0.259 0.000 1.426 168 W HN 0.563 nan 8.180 nan 0.000 0.531 169 D N 0.249 120.997 120.400 0.581 0.000 2.566 169 D HA 0.392 5.033 4.640 0.001 0.000 0.254 169 D C 1.241 177.806 176.300 0.441 0.000 1.090 169 D CA -0.863 53.299 54.000 0.270 0.000 1.034 169 D CB 1.524 42.436 40.800 0.185 0.000 1.434 169 D HN 0.384 nan 8.370 nan 0.000 0.509 170 I N -2.957 117.698 120.570 0.143 0.000 2.850 170 I HA -0.054 4.116 4.170 0.001 0.000 0.266 170 I C 0.839 177.062 176.117 0.176 0.000 1.257 170 I CA 0.723 62.118 61.300 0.158 0.000 1.465 170 I CB -0.432 37.495 38.000 -0.121 0.000 1.091 170 I HN 0.197 nan 8.210 nan 0.000 0.467 171 K N 0.411 120.976 120.400 0.275 0.000 2.506 171 K HA 0.292 4.612 4.320 0.001 0.000 0.204 171 K C -0.768 176.054 176.600 0.370 0.000 1.045 171 K CA -0.131 56.332 56.287 0.293 0.000 1.074 171 K CB 0.797 33.502 32.500 0.342 0.000 0.842 171 K HN 0.237 nan 8.250 nan 0.000 0.514 172 F N 2.308 122.410 119.950 0.253 0.000 3.164 172 F HA 0.269 4.797 4.527 0.001 0.000 0.375 172 F C -1.368 174.708 175.800 0.461 0.000 1.257 172 F CA -0.572 57.627 58.000 0.332 0.000 1.171 172 F CB 0.807 40.028 39.000 0.367 0.000 1.588 172 F HN -0.073 nan 8.300 nan 0.000 0.604 173 R N 3.522 124.096 120.500 0.123 0.000 2.728 173 R HA 0.559 4.900 4.340 0.001 0.000 0.274 173 R C -3.360 172.519 176.300 -0.701 0.000 1.032 173 R CA -2.231 53.749 56.100 -0.200 0.000 0.866 173 R CB 0.732 30.993 30.300 -0.064 0.000 1.263 173 R HN 0.107 nan 8.270 nan 0.000 0.475 174 P HA -0.047 nan 4.420 nan 0.000 0.265 174 P C 0.107 177.145 177.300 -0.438 0.000 1.187 174 P CA 0.588 63.065 63.100 -1.038 0.000 0.766 174 P CB 0.760 31.926 31.700 -0.890 0.000 0.820 175 A N 3.702 126.399 122.820 -0.205 0.000 2.015 175 A HA 0.104 4.425 4.320 0.001 0.000 0.219 175 A C 1.185 178.704 177.584 -0.108 0.000 1.163 175 A CA 1.144 53.115 52.037 -0.111 0.000 0.646 175 A CB -1.050 17.936 19.000 -0.024 0.000 0.806 175 A HN 0.648 nan 8.150 nan 0.000 0.448 176 A N -0.587 122.163 122.820 -0.116 0.000 2.531 176 A HA 0.314 4.634 4.320 0.001 0.000 0.236 176 A C 1.205 178.707 177.584 -0.137 0.000 1.062 176 A CA 0.227 52.212 52.037 -0.087 0.000 0.760 176 A CB -0.057 18.904 19.000 -0.064 0.000 0.995 176 A HN 0.813 nan 8.150 nan 0.000 0.501 177 L N 1.122 122.297 121.223 -0.079 0.000 2.043 177 L HA -0.103 4.238 4.340 0.001 0.000 0.212 177 L C 0.797 177.578 176.870 -0.148 0.000 1.075 177 L CA 2.302 57.089 54.840 -0.088 0.000 0.752 177 L CB -0.296 41.743 42.059 -0.034 0.000 0.891 177 L HN 0.769 nan 8.230 nan 0.000 0.432 178 D N -0.462 119.853 120.400 -0.142 0.000 2.359 178 D HA 0.210 4.850 4.640 0.001 0.000 0.230 178 D C -1.838 174.267 176.300 -0.326 0.000 1.118 178 D CA -2.350 51.525 54.000 -0.209 0.000 0.844 178 D CB 1.341 42.069 40.800 -0.120 0.000 1.059 178 D HN 0.174 nan 8.370 nan 0.000 0.493 179 P HA 0.066 nan 4.420 nan 0.000 0.249 179 P C 0.105 177.075 177.300 -0.549 0.000 1.229 179 P CA -0.062 62.582 63.100 -0.761 0.000 0.788 179 P CB 0.454 31.262 31.700 -1.487 0.000 1.072 180 R N 0.230 120.519 120.500 -0.352 0.000 2.590 180 R HA 0.362 4.703 4.340 0.001 0.000 0.274 180 R C 1.197 177.458 176.300 -0.064 0.000 1.061 180 R CA 0.803 56.817 56.100 -0.143 0.000 1.081 180 R CB -0.407 29.762 30.300 -0.219 0.000 0.984 180 R HN 0.131 nan 8.270 nan 0.000 0.448 181 G N 1.847 110.669 108.800 0.037 0.000 2.147 181 G HA2 -0.283 3.678 3.960 0.001 0.000 0.244 181 G HA3 -0.283 3.678 3.960 0.001 0.000 0.244 181 G C 0.002 174.910 174.900 0.013 0.000 1.005 181 G CA 0.112 45.200 45.100 -0.020 0.000 0.713 181 G HN 0.442 nan 8.290 nan 0.000 0.515 182 M N -0.386 119.282 119.600 0.114 0.000 2.664 182 M HA 0.685 5.165 4.480 0.001 0.000 0.314 182 M C -0.034 176.547 176.300 0.468 0.000 1.200 182 M CA -0.636 54.807 55.300 0.238 0.000 0.916 182 M CB 2.489 35.220 32.600 0.217 0.000 1.717 182 M HN 0.160 nan 8.290 nan 0.000 0.470 183 T N 1.321 116.143 114.554 0.446 0.000 2.909 183 T HA 0.566 4.916 4.350 0.001 0.000 0.299 183 T C -1.827 172.781 174.700 -0.154 0.000 1.073 183 T CA -0.676 61.610 62.100 0.310 0.000 0.999 183 T CB 1.414 70.424 68.868 0.236 0.000 1.098 183 T HN 0.516 nan 8.240 nan 0.000 0.477 184 L N 5.657 126.472 121.223 -0.680 0.000 2.281 184 L HA 0.610 4.951 4.340 0.001 0.000 0.285 184 L C -0.724 175.503 176.870 -1.072 0.000 1.074 184 L CA -0.100 53.948 54.840 -1.320 0.000 0.817 184 L CB 0.740 41.914 42.059 -1.475 0.000 1.168 184 L HN 0.469 nan 8.230 nan 0.000 0.434 185 V N 7.077 126.147 119.914 -1.406 0.000 2.348 185 V HA 0.479 4.599 4.120 0.001 0.000 0.270 185 V C 1.100 176.117 176.094 -1.795 0.000 1.037 185 V CA 0.051 61.176 62.300 -1.958 0.000 0.872 185 V CB 0.340 31.022 31.823 -1.902 0.000 1.002 185 V HN 1.092 nan 8.190 nan 0.000 0.464 186 A N 4.395 125.857 122.820 -2.263 0.000 2.816 186 A HA -0.106 4.215 4.320 0.001 0.000 0.270 186 A C 1.836 179.041 177.584 -0.631 0.000 1.413 186 A CA 1.363 52.701 52.037 -1.164 0.000 0.866 186 A CB -1.681 16.885 19.000 -0.723 0.000 1.032 186 A HN 2.502 nan 8.150 nan 0.000 0.642 187 G N -3.403 104.993 108.800 -0.674 0.000 2.189 187 G HA2 0.041 4.002 3.960 0.001 0.000 0.267 187 G HA3 0.041 4.002 3.960 0.001 0.000 0.267 187 G C 1.200 175.797 174.900 -0.506 0.000 0.975 187 G CA 1.488 46.295 45.100 -0.488 0.000 0.644 187 G HN 2.361 nan 8.290 nan 0.000 0.537 188 A N -0.907 121.608 122.820 -0.509 0.000 1.963 188 A HA 0.776 5.097 4.320 0.001 0.000 0.207 188 A C 0.603 178.167 177.584 -0.034 0.000 1.243 188 A CA 1.687 53.602 52.037 -0.202 0.000 0.728 188 A CB 0.301 19.266 19.000 -0.058 0.000 0.895 188 A HN 1.698 nan 8.150 nan 0.000 0.467 189 F N -5.263 114.495 119.950 -0.321 0.000 2.741 189 F HA 0.688 5.215 4.527 0.001 0.000 0.313 189 F C -1.961 173.681 175.800 -0.264 0.000 1.153 189 F CA -2.119 55.799 58.000 -0.137 0.000 0.931 189 F CB 0.274 39.248 39.000 -0.043 0.000 1.335 189 F HN -0.013 nan 8.300 nan 0.000 0.460 190 W N 1.695 123.016 121.300 0.035 0.000 2.496 190 W HA 0.819 5.479 4.660 0.001 0.000 0.327 190 W C -0.444 176.130 176.519 0.092 0.000 1.086 190 W CA -0.675 56.637 57.345 -0.055 0.000 1.222 190 W CB 1.899 31.367 29.460 0.014 0.000 1.304 190 W HN 0.805 nan 8.180 nan 0.000 0.547 191 A N 2.076 125.018 122.820 0.203 0.000 2.401 191 A HA 0.537 4.858 4.320 0.001 0.000 0.310 191 A C -1.053 176.632 177.584 0.169 0.000 1.075 191 A CA -0.794 51.369 52.037 0.209 0.000 0.746 191 A CB 0.847 19.927 19.000 0.134 0.000 1.277 191 A HN 0.514 nan 8.150 nan 0.000 0.425 192 D N 1.649 122.134 120.400 0.143 0.000 2.450 192 D HA 0.147 4.788 4.640 0.001 0.000 0.247 192 D C 1.327 177.643 176.300 0.027 0.000 1.162 192 D CA 0.199 54.252 54.000 0.088 0.000 0.879 192 D CB 0.755 41.609 40.800 0.090 0.000 1.163 192 D HN 0.434 nan 8.370 nan 0.000 0.472 193 I N 1.804 122.327 120.570 -0.079 0.000 2.286 193 I HA -0.251 3.920 4.170 0.001 0.000 0.248 193 I C 0.336 176.176 176.117 -0.462 0.000 1.115 193 I CA 1.272 62.379 61.300 -0.322 0.000 1.392 193 I CB -0.034 37.617 38.000 -0.583 0.000 1.065 193 I HN 0.332 nan 8.210 nan 0.000 0.418 194 Y N -0.272 120.059 120.300 0.051 0.000 2.509 194 Y HA 0.495 5.045 4.550 0.001 0.000 0.341 194 Y C 0.134 176.072 175.900 0.062 0.000 1.038 194 Y CA -1.193 56.944 58.100 0.061 0.000 1.089 194 Y CB 0.803 39.288 38.460 0.042 0.000 1.241 194 Y HN -0.201 nan 8.280 nan 0.000 0.468 195 L N 2.621 123.982 121.223 0.229 0.000 2.499 195 L HA -0.008 4.333 4.340 0.001 0.000 0.281 195 L C 0.069 177.028 176.870 0.149 0.000 1.234 195 L CA -0.290 54.645 54.840 0.158 0.000 0.839 195 L CB 0.150 42.286 42.059 0.128 0.000 1.104 195 L HN 0.491 nan 8.230 nan 0.000 0.500 196 L N 1.856 123.160 121.223 0.136 0.000 2.499 196 L HA 0.252 4.593 4.340 0.001 0.000 0.273 196 L C 0.534 177.501 176.870 0.161 0.000 1.195 196 L CA 0.604 55.531 54.840 0.145 0.000 0.882 196 L CB 0.533 42.713 42.059 0.203 0.000 1.133 196 L HN 0.549 nan 8.230 nan 0.000 0.483 197 G N 3.626 112.504 108.800 0.130 0.000 2.437 197 G HA2 0.438 4.399 3.960 0.001 0.000 0.319 197 G HA3 0.438 4.399 3.960 0.001 0.000 0.319 197 G C 0.741 175.740 174.900 0.165 0.000 1.158 197 G CA -0.317 44.849 45.100 0.110 0.000 0.899 197 G HN 0.638 nan 8.290 nan 0.000 0.502 198 V N 1.340 121.325 119.914 0.119 0.000 2.252 198 V HA -0.173 3.948 4.120 0.001 0.000 0.249 198 V C 1.514 177.622 176.094 0.024 0.000 1.056 198 V CA 1.476 63.839 62.300 0.106 0.000 1.022 198 V CB -0.322 31.534 31.823 0.053 0.000 0.641 198 V HN 0.609 nan 8.190 nan 0.000 0.445 199 N N 0.349 119.028 118.700 -0.034 0.000 3.091 199 N HA 0.040 4.781 4.740 0.001 0.000 0.301 199 N C 1.033 176.455 175.510 -0.146 0.000 1.325 199 N CA 0.148 53.123 53.050 -0.125 0.000 1.143 199 N CB -0.190 38.245 38.487 -0.085 0.000 1.450 199 N HN 0.815 nan 8.380 nan 0.000 0.542 200 H N -1.698 117.360 119.070 -0.020 0.000 2.495 200 H HA 0.101 4.658 4.556 0.001 0.000 0.287 200 H C 1.703 177.022 175.328 -0.015 0.000 1.033 200 H CA 0.523 56.534 56.048 -0.061 0.000 1.307 200 H CB -0.150 29.563 29.762 -0.081 0.000 1.401 200 H HN 0.170 nan 8.280 nan 0.000 0.555 201 L N 0.674 121.724 121.223 -0.289 0.000 2.056 201 L HA -0.118 4.222 4.340 0.001 0.000 0.207 201 L C 2.507 179.374 176.870 -0.004 0.000 1.078 201 L CA 1.880 56.688 54.840 -0.054 0.000 0.749 201 L CB -0.566 41.408 42.059 -0.142 0.000 0.901 201 L HN 0.603 nan 8.230 nan 0.000 0.433 202 T N -5.364 109.154 114.554 -0.059 0.000 3.009 202 T HA -0.021 4.330 4.350 0.001 0.000 0.258 202 T C 1.322 175.996 174.700 -0.043 0.000 1.063 202 T CA 0.537 62.612 62.100 -0.042 0.000 1.139 202 T CB -0.070 68.766 68.868 -0.053 0.000 0.890 202 T HN 0.109 nan 8.240 nan 0.000 0.471 203 D N 1.356 121.726 120.400 -0.050 0.000 2.354 203 D HA 0.331 4.971 4.640 0.001 0.000 0.209 203 D C 1.352 177.610 176.300 -0.068 0.000 1.015 203 D CA 0.948 54.913 54.000 -0.058 0.000 0.867 203 D CB 0.144 40.910 40.800 -0.056 0.000 0.933 203 D HN 0.682 nan 8.370 nan 0.000 0.520 204 G N 0.470 109.230 108.800 -0.066 0.000 2.829 204 G HA2 -0.285 3.676 3.960 0.001 0.000 0.628 204 G HA3 -0.285 3.676 3.960 0.001 0.000 0.628 204 G C 1.039 175.819 174.900 -0.200 0.000 1.412 204 G CA 0.255 45.265 45.100 -0.150 0.000 0.864 204 G HN 0.156 nan 8.290 nan 0.000 0.544 205 T N -2.980 111.374 114.554 -0.333 0.000 2.995 205 T HA 0.375 4.726 4.350 0.001 0.000 0.269 205 T C 1.315 175.991 174.700 -0.040 0.000 1.091 205 T CA 1.780 63.747 62.100 -0.221 0.000 1.128 205 T CB 0.169 68.878 68.868 -0.265 0.000 0.891 205 T HN 1.730 nan 8.240 nan 0.000 0.492 206 S N 0.728 116.422 115.700 -0.011 0.000 2.718 206 S HA 0.567 5.037 4.470 0.001 0.000 0.294 206 S C -0.972 173.711 174.600 0.139 0.000 1.157 206 S CA -0.858 57.414 58.200 0.120 0.000 1.121 206 S CB 0.406 63.673 63.200 0.112 0.000 1.015 206 S HN 0.491 nan 8.310 nan 0.000 0.479 207 K N 3.286 123.715 120.400 0.048 0.000 2.523 207 K HA 0.299 4.620 4.320 0.001 0.000 0.257 207 K C -1.715 174.534 176.600 -0.585 0.000 0.932 207 K CA -0.785 55.404 56.287 -0.163 0.000 0.812 207 K CB 1.430 33.870 32.500 -0.100 0.000 1.326 207 K HN 0.582 nan 8.250 nan 0.000 0.433 208 Y N 3.640 123.404 120.300 -0.892 0.000 2.346 208 Y HA 0.143 4.694 4.550 0.001 0.000 0.330 208 Y C 0.424 176.064 175.900 -0.433 0.000 1.178 208 Y CA 0.543 58.066 58.100 -0.962 0.000 1.331 208 Y CB 0.604 38.733 38.460 -0.551 0.000 1.253 208 Y HN 0.938 nan 8.280 nan 0.000 0.529 209 N N 2.293 120.369 118.700 -1.040 0.000 2.727 209 N HA -0.172 4.569 4.740 0.001 0.000 0.251 209 N C -1.748 173.514 175.510 -0.414 0.000 1.040 209 N CA 1.063 53.608 53.050 -0.840 0.000 0.712 209 N CB -1.299 36.553 38.487 -1.058 0.000 0.912 209 N HN 0.735 nan 8.380 nan 0.000 0.545 210 V N -3.228 116.501 119.914 -0.308 0.000 3.001 210 V HA 0.749 4.869 4.120 0.001 0.000 0.314 210 V C 0.805 176.825 176.094 -0.124 0.000 1.099 210 V CA -0.645 61.548 62.300 -0.178 0.000 0.989 210 V CB 1.838 33.581 31.823 -0.133 0.000 1.040 210 V HN 0.133 nan 8.190 nan 0.000 0.434 211 T N 3.891 118.397 114.554 -0.079 0.000 2.902 211 T HA 0.370 4.721 4.350 0.001 0.000 0.301 211 T C 0.177 174.878 174.700 0.001 0.000 1.012 211 T CA 0.546 62.621 62.100 -0.041 0.000 1.151 211 T CB -0.177 68.677 68.868 -0.023 0.000 0.946 211 T HN 0.559 nan 8.240 nan 0.000 0.542 212 I N 2.697 123.278 120.570 0.019 0.000 2.441 212 I HA 0.343 4.514 4.170 0.001 0.000 0.287 212 I C 0.880 177.072 176.117 0.126 0.000 1.049 212 I CA -0.597 60.745 61.300 0.070 0.000 1.381 212 I CB 0.788 38.824 38.000 0.061 0.000 1.409 212 I HN 0.636 nan 8.210 nan 0.000 0.523 213 A N 5.392 128.333 122.820 0.203 0.000 2.409 213 A HA 0.499 4.820 4.320 0.001 0.000 0.262 213 A C -0.556 177.282 177.584 0.423 0.000 1.113 213 A CA -0.161 52.068 52.037 0.321 0.000 0.790 213 A CB 0.104 19.351 19.000 0.411 0.000 1.046 213 A HN 0.841 nan 8.150 nan 0.000 0.496 214 D N -0.034 120.630 120.400 0.440 0.000 2.838 214 D HA 0.443 5.084 4.640 0.001 0.000 0.334 214 D C 0.944 177.503 176.300 0.432 0.000 1.315 214 D CA 0.048 54.295 54.000 0.412 0.000 0.917 214 D CB 0.111 41.030 40.800 0.198 0.000 1.435 214 D HN 0.335 nan 8.370 nan 0.000 0.517 215 G N -0.934 108.062 108.800 0.326 0.000 2.470 215 G HA2 -0.128 3.833 3.960 0.001 0.000 0.220 215 G HA3 -0.128 3.833 3.960 0.001 0.000 0.220 215 G C 1.001 176.024 174.900 0.205 0.000 1.121 215 G CA 0.846 46.120 45.100 0.289 0.000 0.766 215 G HN 0.321 nan 8.290 nan 0.000 0.553 216 S N -0.422 115.385 115.700 0.177 0.000 2.517 216 S HA 0.500 4.971 4.470 0.001 0.000 0.214 216 S C 0.857 175.529 174.600 0.120 0.000 0.991 216 S CA 0.332 58.613 58.200 0.134 0.000 0.906 216 S CB 0.591 63.862 63.200 0.118 0.000 0.789 216 S HN 0.532 nan 8.310 nan 0.000 0.513 217 A N 2.300 125.207 122.820 0.146 0.000 2.943 217 A HA 0.578 4.898 4.320 0.001 0.000 0.327 217 A C 0.212 177.886 177.584 0.150 0.000 1.141 217 A CA -0.723 51.387 52.037 0.122 0.000 0.773 217 A CB 0.288 19.349 19.000 0.103 0.000 1.143 217 A HN 0.256 nan 8.150 nan 0.000 0.463 218 S N 2.172 117.948 115.700 0.128 0.000 2.572 218 S HA 0.527 4.998 4.470 0.001 0.000 0.279 218 S C -2.214 172.448 174.600 0.104 0.000 1.341 218 S CA -0.805 57.461 58.200 0.110 0.000 1.043 218 S CB 0.156 63.431 63.200 0.126 0.000 0.887 218 S HN 0.451 nan 8.310 nan 0.000 0.516 219 P HA 0.182 nan 4.420 nan 0.000 0.272 219 P C -0.467 176.949 177.300 0.194 0.000 1.240 219 P CA -0.528 62.682 63.100 0.183 0.000 0.791 219 P CB 0.360 32.151 31.700 0.152 0.000 0.978 220 K N 1.278 121.730 120.400 0.087 0.000 2.489 220 K HA -0.020 4.301 4.320 0.001 0.000 0.278 220 K C 0.573 177.132 176.600 -0.068 0.000 1.000 220 K CA 0.253 56.486 56.287 -0.091 0.000 1.012 220 K CB 0.124 32.441 32.500 -0.306 0.000 0.903 220 K HN 0.437 nan 8.250 nan 0.000 0.485 221 K N 1.780 121.934 120.400 -0.410 0.000 2.447 221 K HA -0.045 4.275 4.320 0.001 0.000 0.281 221 K C 0.107 176.612 176.600 -0.160 0.000 1.031 221 K CA 0.170 55.986 56.287 -0.785 0.000 1.019 221 K CB 0.463 32.556 32.500 -0.678 0.000 0.918 221 K HN 0.543 nan 8.250 nan 0.000 0.476 222 S N 2.854 118.628 115.700 0.124 0.000 2.546 222 S HA -0.040 4.431 4.470 0.001 0.000 0.290 222 S C 1.187 175.931 174.600 0.240 0.000 1.290 222 S CA 0.102 58.557 58.200 0.425 0.000 1.069 222 S CB 0.565 64.176 63.200 0.685 0.000 0.846 222 S HN 0.741 nan 8.310 nan 0.000 0.495 223 T N 2.560 117.231 114.554 0.196 0.000 3.118 223 T HA 0.114 4.464 4.350 0.001 0.000 0.260 223 T C 1.188 175.812 174.700 -0.128 0.000 1.139 223 T CA 0.484 62.598 62.100 0.023 0.000 1.085 223 T CB -0.160 68.725 68.868 0.028 0.000 0.934 223 T HN 0.718 nan 8.240 nan 0.000 0.518 224 K N 0.150 120.382 120.400 -0.280 0.000 2.400 224 K HA 0.194 4.515 4.320 0.001 0.000 0.194 224 K C -0.316 175.834 176.600 -0.750 0.000 1.033 224 K CA 0.446 56.377 56.287 -0.592 0.000 1.021 224 K CB 0.136 32.098 32.500 -0.896 0.000 0.808 224 K HN 0.434 nan 8.250 nan 0.000 0.505 225 F N 0.092 120.022 119.950 -0.032 0.000 2.688 225 F HA 0.284 4.812 4.527 0.001 0.000 0.376 225 F C 0.839 176.640 175.800 0.001 0.000 1.428 225 F CA -0.568 57.434 58.000 0.003 0.000 1.156 225 F CB 1.330 40.363 39.000 0.055 0.000 1.141 225 F HN 0.080 nan 8.300 nan 0.000 0.521 226 G N -0.160 108.679 108.800 0.064 0.000 2.175 226 G HA2 -0.180 3.781 3.960 0.001 0.000 0.244 226 G HA3 -0.180 3.781 3.960 0.001 0.000 0.244 226 G C 0.621 175.519 174.900 -0.003 0.000 0.982 226 G CA -0.328 44.790 45.100 0.030 0.000 0.641 226 G HN 0.857 nan 8.290 nan 0.000 0.527 227 G N 0.247 109.042 108.800 -0.008 0.000 2.444 227 G HA2 0.497 4.458 3.960 0.001 0.000 0.268 227 G HA3 0.497 4.458 3.960 0.001 0.000 0.268 227 G C 0.678 175.552 174.900 -0.044 0.000 1.203 227 G CA 0.625 45.694 45.100 -0.053 0.000 0.835 227 G HN 0.435 nan 8.290 nan 0.000 0.543 228 D N -0.760 119.608 120.400 -0.054 0.000 2.354 228 D HA 0.174 4.814 4.640 0.001 0.000 0.209 228 D C 1.602 177.876 176.300 -0.044 0.000 1.015 228 D CA 0.796 54.769 54.000 -0.044 0.000 0.867 228 D CB 0.181 40.956 40.800 -0.042 0.000 0.933 228 D HN 1.000 nan 8.370 nan 0.000 0.520 229 G N -0.613 108.154 108.800 -0.055 0.000 2.238 229 G HA2 -0.274 3.687 3.960 0.001 0.000 0.217 229 G HA3 -0.274 3.687 3.960 0.001 0.000 0.217 229 G C 1.275 176.130 174.900 -0.074 0.000 0.996 229 G CA 0.371 45.437 45.100 -0.058 0.000 0.632 229 G HN 0.349 nan 8.290 nan 0.000 0.503 230 S N 0.041 115.700 115.700 -0.069 0.000 2.545 230 S HA 0.622 5.093 4.470 0.001 0.000 0.232 230 S C 1.344 175.899 174.600 -0.075 0.000 1.070 230 S CA 0.949 59.109 58.200 -0.067 0.000 0.923 230 S CB 0.380 63.550 63.200 -0.049 0.000 0.806 230 S HN 1.544 nan 8.310 nan 0.000 0.506 231 A N 1.741 124.511 122.820 -0.084 0.000 2.407 231 A HA 0.735 5.056 4.320 0.001 0.000 0.248 231 A C 0.302 177.806 177.584 -0.134 0.000 1.082 231 A CA -0.176 51.806 52.037 -0.091 0.000 0.785 231 A CB 0.072 19.018 19.000 -0.090 0.000 1.020 231 A HN 0.472 nan 8.150 nan 0.000 0.489 232 A N 1.200 123.957 122.820 -0.104 0.000 2.269 232 A HA 0.656 4.977 4.320 0.001 0.000 0.319 232 A C -0.526 176.984 177.584 -0.123 0.000 1.110 232 A CA -0.540 51.433 52.037 -0.107 0.000 0.847 232 A CB 0.078 19.070 19.000 -0.013 0.000 1.161 232 A HN 0.713 nan 8.150 nan 0.000 0.497 233 Y N 0.632 120.923 120.300 -0.014 0.000 2.550 233 Y HA 0.047 4.597 4.550 0.001 0.000 0.343 233 Y C 2.164 178.062 175.900 -0.003 0.000 1.245 233 Y CA 1.146 59.234 58.100 -0.019 0.000 1.462 233 Y CB 0.514 38.938 38.460 -0.060 0.000 1.340 233 Y HN 0.797 nan 8.280 nan 0.000 0.604 234 S N -0.750 115.057 115.700 0.179 0.000 2.419 234 S HA -0.091 4.379 4.470 0.001 0.000 0.233 234 S C 0.059 174.730 174.600 0.118 0.000 1.016 234 S CA 1.307 59.574 58.200 0.113 0.000 0.974 234 S CB -0.443 62.810 63.200 0.088 0.000 0.786 234 S HN 0.808 nan 8.310 nan 0.000 0.492 235 D N -1.334 119.150 120.400 0.139 0.000 2.759 235 D HA 0.449 5.090 4.640 0.001 0.000 0.321 235 D C -0.107 176.256 176.300 0.106 0.000 1.267 235 D CA -0.387 53.691 54.000 0.129 0.000 0.933 235 D CB 0.594 41.471 40.800 0.128 0.000 1.431 235 D HN 0.042 nan 8.370 nan 0.000 0.504 236 G N -0.667 108.238 108.800 0.175 0.000 4.294 236 G HA2 0.551 4.512 3.960 0.001 0.000 0.301 236 G HA3 0.551 4.512 3.960 0.001 0.000 0.301 236 G C 0.316 175.495 174.900 0.464 0.000 1.321 236 G CA -0.002 45.259 45.100 0.268 0.000 1.190 236 G HN 0.661 nan 8.290 nan 0.000 0.600 237 A N -0.170 122.784 122.820 0.223 0.000 2.466 237 A HA 0.296 4.616 4.320 0.001 0.000 0.238 237 A C 1.080 178.638 177.584 -0.044 0.000 1.074 237 A CA -0.245 51.903 52.037 0.186 0.000 0.774 237 A CB 0.350 19.457 19.000 0.179 0.000 1.015 237 A HN 0.659 nan 8.150 nan 0.000 0.498 238 W N 1.400 122.138 121.300 -0.938 0.000 2.275 238 W HA -0.345 4.316 4.660 0.001 0.000 0.321 238 W C 1.321 177.395 176.519 -0.740 0.000 1.269 238 W CA 2.581 58.938 57.345 -1.646 0.000 1.274 238 W CB -0.495 27.749 29.460 -2.027 0.000 1.141 238 W HN 0.803 nan 8.180 nan 0.000 0.493 239 Y N 0.752 120.971 120.300 -0.136 0.000 2.151 239 Y HA -0.325 4.225 4.550 0.001 0.000 0.284 239 Y C 2.506 178.100 175.900 -0.510 0.000 1.166 239 Y CA 2.150 60.132 58.100 -0.197 0.000 1.163 239 Y CB -1.375 37.058 38.460 -0.045 0.000 0.974 239 Y HN 0.034 nan 8.280 nan 0.000 0.511 240 N N -0.707 117.739 118.700 -0.423 0.000 2.171 240 N HA -0.129 4.612 4.740 0.001 0.000 0.184 240 N C 1.724 176.761 175.510 -0.789 0.000 1.021 240 N CA 1.194 53.695 53.050 -0.915 0.000 0.854 240 N CB -0.826 36.871 38.487 -1.317 0.000 0.994 240 N HN 0.264 nan 8.380 nan 0.000 0.426 241 F N 1.602 121.241 119.950 -0.518 0.000 2.134 241 F HA -0.030 4.498 4.527 0.001 0.000 0.299 241 F C 2.435 177.947 175.800 -0.481 0.000 1.097 241 F CA 0.981 58.748 58.000 -0.387 0.000 1.264 241 F CB -0.644 38.221 39.000 -0.224 0.000 1.001 241 F HN 0.012 nan 8.300 nan 0.000 0.479 242 A N -0.448 121.996 122.820 -0.627 0.000 1.933 242 A HA -0.241 4.079 4.320 0.001 0.000 0.218 242 A C 2.168 179.512 177.584 -0.401 0.000 1.175 242 A CA 1.885 53.514 52.037 -0.680 0.000 0.628 242 A CB -0.843 17.366 19.000 -1.319 0.000 0.814 242 A HN 0.455 nan 8.150 nan 0.000 0.444 243 E N -0.247 119.699 120.200 -0.424 0.000 2.072 243 E HA -0.118 4.233 4.350 0.001 0.000 0.191 243 E C 1.858 178.382 176.600 -0.126 0.000 0.985 243 E CA 1.298 57.463 56.400 -0.392 0.000 0.801 243 E CB -0.106 29.298 29.700 -0.494 0.000 0.750 243 E HN 0.316 nan 8.360 nan 0.000 0.452 244 V N 1.211 121.061 119.914 -0.107 0.000 2.332 244 V HA -0.298 3.823 4.120 0.001 0.000 0.248 244 V C 2.468 178.602 176.094 0.066 0.000 1.055 244 V CA 1.549 63.830 62.300 -0.033 0.000 1.038 244 V CB -0.406 31.267 31.823 -0.250 0.000 0.651 244 V HN 0.417 nan 8.190 nan 0.000 0.450 245 M N -0.354 119.251 119.600 0.008 0.000 2.117 245 M HA -0.137 4.344 4.480 0.001 0.000 0.262 245 M C 2.303 178.673 176.300 0.116 0.000 1.065 245 M CA 1.967 57.305 55.300 0.063 0.000 1.114 245 M CB -1.826 30.778 32.600 0.008 0.000 1.361 245 M HN 0.394 nan 8.290 nan 0.000 0.408 246 T N -0.536 114.068 114.554 0.084 0.000 2.720 246 T HA -0.201 4.150 4.350 0.001 0.000 0.268 246 T C 1.779 176.618 174.700 0.232 0.000 1.037 246 T CA 1.703 63.887 62.100 0.141 0.000 1.144 246 T CB -0.580 68.359 68.868 0.119 0.000 0.864 246 T HN 0.372 nan 8.240 nan 0.000 0.444 247 H N 1.638 120.804 119.070 0.159 0.000 2.357 247 H HA -0.142 4.415 4.556 0.001 0.000 0.296 247 H C 1.593 176.822 175.328 -0.164 0.000 1.108 247 H CA 1.713 57.774 56.048 0.022 0.000 1.273 247 H CB -0.450 29.288 29.762 -0.041 0.000 1.367 247 H HN 0.496 nan 8.280 nan 0.000 0.498 248 H N -1.049 118.181 119.070 0.267 0.000 2.524 248 H HA 0.180 4.737 4.556 0.001 0.000 0.280 248 H C 1.059 176.431 175.328 0.074 0.000 1.018 248 H CA 0.576 56.704 56.048 0.134 0.000 1.165 248 H CB 0.097 29.862 29.762 0.005 0.000 1.411 248 H HN 0.590 nan 8.280 nan 0.000 0.569 249 G N 1.636 110.529 108.800 0.155 0.000 2.198 249 G HA2 -0.288 3.673 3.960 0.001 0.000 0.257 249 G HA3 -0.288 3.673 3.960 0.001 0.000 0.257 249 G C 0.126 175.078 174.900 0.086 0.000 1.042 249 G CA 0.458 45.614 45.100 0.093 0.000 0.791 249 G HN 0.366 nan 8.290 nan 0.000 0.502 250 K N -1.025 119.439 120.400 0.106 0.000 2.261 250 K HA 0.867 5.188 4.320 0.001 0.000 0.242 250 K C 0.487 177.135 176.600 0.079 0.000 1.083 250 K CA -0.989 55.353 56.287 0.093 0.000 0.880 250 K CB 1.467 34.024 32.500 0.094 0.000 1.353 250 K HN 0.453 nan 8.250 nan 0.000 0.486 251 R N -0.281 120.264 120.500 0.075 0.000 2.752 251 R HA 0.456 4.797 4.340 0.001 0.000 0.271 251 R C -1.192 175.147 176.300 0.064 0.000 1.026 251 R CA -0.966 55.167 56.100 0.054 0.000 0.901 251 R CB 0.349 30.689 30.300 0.066 0.000 1.243 251 R HN 0.311 nan 8.270 nan 0.000 0.463 252 L N 1.583 122.834 121.223 0.048 0.000 2.436 252 L HA 0.399 4.740 4.340 0.001 0.000 0.265 252 L C -1.859 175.094 176.870 0.138 0.000 1.168 252 L CA -2.003 52.891 54.840 0.090 0.000 0.815 252 L CB 0.514 42.610 42.059 0.062 0.000 1.109 252 L HN 0.454 nan 8.230 nan 0.000 0.462 253 P HA 0.092 nan 4.420 nan 0.000 0.278 253 P C -0.967 176.485 177.300 0.253 0.000 1.238 253 P CA -0.414 62.797 63.100 0.185 0.000 0.794 253 P CB 0.936 32.806 31.700 0.283 0.000 0.955 254 N N 1.165 119.955 118.700 0.150 0.000 2.405 254 N HA 0.057 4.797 4.740 0.001 0.000 0.269 254 N C 1.085 176.649 175.510 0.091 0.000 1.249 254 N CA -0.423 52.759 53.050 0.220 0.000 0.974 254 N CB 0.217 38.795 38.487 0.151 0.000 1.204 254 N HN 0.449 nan 8.380 nan 0.000 0.565 255 Y N 0.442 120.732 120.300 -0.016 0.000 2.181 255 Y HA -0.267 4.283 4.550 0.001 0.000 0.288 255 Y C 2.272 178.074 175.900 -0.163 0.000 1.146 255 Y CA 1.275 59.188 58.100 -0.312 0.000 1.164 255 Y CB 0.130 38.652 38.460 0.102 0.000 0.982 255 Y HN 0.622 nan 8.280 nan 0.000 0.515 256 N N 0.564 119.321 118.700 0.095 0.000 2.120 256 N HA -0.234 4.507 4.740 0.001 0.000 0.188 256 N C 1.213 176.711 175.510 -0.020 0.000 1.024 256 N CA 2.030 55.084 53.050 0.006 0.000 0.852 256 N CB -0.797 37.683 38.487 -0.013 0.000 1.003 256 N HN 0.485 nan 8.380 nan 0.000 0.424 257 E N -0.552 119.576 120.200 -0.120 0.000 2.107 257 E HA -0.064 4.287 4.350 0.001 0.000 0.191 257 E C 1.622 178.264 176.600 0.069 0.000 0.982 257 E CA 0.669 56.907 56.400 -0.270 0.000 0.809 257 E CB -0.270 29.039 29.700 -0.653 0.000 0.756 257 E HN 0.328 nan 8.360 nan 0.000 0.459 258 F N 2.415 122.306 119.950 -0.099 0.000 2.113 258 F HA -0.209 4.319 4.527 0.001 0.000 0.297 258 F C 2.530 178.362 175.800 0.053 0.000 1.103 258 F CA 1.895 59.852 58.000 -0.071 0.000 1.248 258 F CB -0.108 38.645 39.000 -0.413 0.000 0.999 258 F HN -0.059 nan 8.300 nan 0.000 0.475 259 Q N 0.306 120.199 119.800 0.154 0.000 2.170 259 Q HA -0.146 4.195 4.340 0.001 0.000 0.203 259 Q C 2.151 178.222 176.000 0.118 0.000 0.976 259 Q CA 1.551 57.440 55.803 0.143 0.000 0.858 259 Q CB -0.803 28.021 28.738 0.143 0.000 0.907 259 Q HN 0.386 nan 8.270 nan 0.000 0.433 260 A N 1.920 124.817 122.820 0.128 0.000 1.873 260 A HA -0.098 4.223 4.320 0.001 0.000 0.215 260 A C 2.200 179.916 177.584 0.220 0.000 1.186 260 A CA 1.438 53.578 52.037 0.172 0.000 0.616 260 A CB -0.662 18.446 19.000 0.179 0.000 0.823 260 A HN 0.527 nan 8.150 nan 0.000 0.442 261 L N -2.422 118.877 121.223 0.126 0.000 2.217 261 L HA 0.268 4.608 4.340 0.001 0.000 0.211 261 L C 2.125 179.060 176.870 0.109 0.000 1.107 261 L CA 1.993 56.887 54.840 0.089 0.000 0.783 261 L CB -0.691 41.412 42.059 0.073 0.000 0.919 261 L HN 0.166 nan 8.230 nan 0.000 0.442 262 A N -0.861 121.894 122.820 -0.109 0.000 2.195 262 A HA 0.194 4.514 4.320 0.001 0.000 0.210 262 A C 0.898 178.484 177.584 0.004 0.000 1.165 262 A CA -0.436 51.502 52.037 -0.165 0.000 0.806 262 A CB -0.747 17.945 19.000 -0.513 0.000 0.847 262 A HN 0.384 nan 8.150 nan 0.000 0.482 263 F N 0.997 120.948 119.950 0.001 0.000 2.608 263 F HA 0.355 4.883 4.527 0.001 0.000 0.380 263 F C 1.355 177.079 175.800 -0.126 0.000 1.083 263 F CA 1.450 59.440 58.000 -0.016 0.000 1.266 263 F CB 0.393 39.424 39.000 0.051 0.000 1.076 263 F HN 0.341 nan 8.300 nan 0.000 0.574 264 G N 2.826 111.009 108.800 -1.028 0.000 2.278 264 G HA2 -0.250 3.711 3.960 0.001 0.000 0.210 264 G HA3 -0.250 3.711 3.960 0.001 0.000 0.210 264 G C 0.535 175.191 174.900 -0.408 0.000 1.000 264 G CA -0.045 44.605 45.100 -0.749 0.000 0.635 264 G HN 0.937 nan 8.290 nan 0.000 0.495 265 T N 1.610 116.004 114.554 -0.266 0.000 2.791 265 T HA 0.426 4.776 4.350 0.001 0.000 0.323 265 T C 0.830 175.432 174.700 -0.163 0.000 1.082 265 T CA 1.255 63.278 62.100 -0.129 0.000 1.084 265 T CB 0.259 69.139 68.868 0.021 0.000 0.992 265 T HN 0.332 nan 8.240 nan 0.000 0.547 266 T N 5.557 120.017 114.554 -0.157 0.000 2.738 266 T HA 0.149 4.500 4.350 0.001 0.000 0.293 266 T C 0.235 174.916 174.700 -0.030 0.000 0.913 266 T CA -0.463 61.541 62.100 -0.159 0.000 1.103 266 T CB 0.133 68.831 68.868 -0.282 0.000 0.880 266 T HN 0.487 nan 8.240 nan 0.000 0.526 267 E N 1.969 122.148 120.200 -0.034 0.000 2.374 267 E HA 0.381 4.732 4.350 0.001 0.000 0.260 267 E C 0.976 177.600 176.600 0.039 0.000 1.101 267 E CA -0.186 56.226 56.400 0.021 0.000 0.907 267 E CB 0.557 30.261 29.700 0.007 0.000 1.014 267 E HN 0.802 nan 8.360 nan 0.000 0.427 268 A N 1.573 124.429 122.820 0.060 0.000 2.783 268 A HA -0.185 4.135 4.320 0.001 0.000 0.292 268 A C 0.037 177.655 177.584 0.057 0.000 1.495 268 A CA 1.543 53.611 52.037 0.052 0.000 0.787 268 A CB -2.019 17.004 19.000 0.038 0.000 1.017 268 A HN 0.401 nan 8.150 nan 0.000 0.516 269 T N 0.029 114.644 114.554 0.101 0.000 2.912 269 T HA 0.668 5.019 4.350 0.001 0.000 0.299 269 T C -0.202 174.652 174.700 0.256 0.000 1.052 269 T CA 0.180 62.374 62.100 0.156 0.000 0.996 269 T CB 1.950 70.899 68.868 0.135 0.000 1.070 269 T HN 0.568 nan 8.240 nan 0.000 0.465 270 S N 0.657 116.472 115.700 0.191 0.000 2.638 270 S HA 0.475 4.946 4.470 0.001 0.000 0.302 270 S C 1.412 176.133 174.600 0.202 0.000 1.096 270 S CA -0.741 57.499 58.200 0.067 0.000 0.953 270 S CB 1.881 65.049 63.200 -0.055 0.000 1.107 270 S HN 0.728 nan 8.310 nan 0.000 0.503 271 S N 1.015 116.715 115.700 -0.001 0.000 2.399 271 S HA 0.140 4.611 4.470 0.001 0.000 0.231 271 S C 1.131 175.846 174.600 0.192 0.000 1.022 271 S CA 1.661 59.953 58.200 0.153 0.000 0.983 271 S CB -1.065 62.143 63.200 0.013 0.000 0.803 271 S HN 1.553 nan 8.310 nan 0.000 0.480 272 G N -0.556 108.358 108.800 0.190 0.000 2.693 272 G HA2 0.289 4.250 3.960 0.001 0.000 0.226 272 G HA3 0.289 4.250 3.960 0.001 0.000 0.226 272 G C 0.753 175.771 174.900 0.197 0.000 1.354 272 G CA -0.257 44.954 45.100 0.185 0.000 0.873 272 G HN 1.749 nan 8.290 nan 0.000 0.562 273 G N -2.552 106.329 108.800 0.134 0.000 2.552 273 G HA2 0.200 4.161 3.960 0.001 0.000 0.265 273 G HA3 0.200 4.161 3.960 0.001 0.000 0.265 273 G C 1.279 176.224 174.900 0.075 0.000 1.234 273 G CA 2.480 47.614 45.100 0.057 0.000 0.944 273 G HN 2.716 nan 8.290 nan 0.000 0.568 274 T N -3.051 111.411 114.554 -0.153 0.000 2.975 274 T HA 0.509 4.860 4.350 0.001 0.000 0.257 274 T C 0.235 174.445 174.700 -0.816 0.000 1.003 274 T CA 1.348 63.343 62.100 -0.175 0.000 0.932 274 T CB 0.806 69.623 68.868 -0.086 0.000 1.087 274 T HN 1.036 nan 8.240 nan 0.000 0.512 275 D N -0.362 119.252 120.400 -1.310 0.000 2.728 275 D HA 0.397 5.037 4.640 0.001 0.000 0.249 275 D C -1.897 173.800 176.300 -1.005 0.000 1.225 275 D CA -0.492 52.513 54.000 -1.657 0.000 0.748 275 D CB 1.929 42.254 40.800 -0.791 0.000 1.326 275 D HN -0.047 nan 8.370 nan 0.000 0.426 276 V N 3.935 123.393 119.914 -0.761 0.000 2.320 276 V HA 0.339 4.460 4.120 0.001 0.000 0.268 276 V C -1.533 174.456 176.094 -0.175 0.000 1.021 276 V CA -0.964 61.177 62.300 -0.265 0.000 0.813 276 V CB 1.375 33.167 31.823 -0.051 0.000 1.054 276 V HN 0.473 nan 8.190 nan 0.000 0.444 277 P HA 0.085 nan 4.420 nan 0.000 0.227 277 P C 0.426 177.681 177.300 -0.075 0.000 1.161 277 P CA 0.661 63.694 63.100 -0.113 0.000 0.788 277 P CB 0.589 32.216 31.700 -0.122 0.000 0.822 278 T N -0.405 114.101 114.554 -0.081 0.000 2.933 278 T HA 0.337 4.688 4.350 0.001 0.000 0.305 278 T C -0.560 174.079 174.700 -0.103 0.000 1.092 278 T CA -0.492 61.543 62.100 -0.108 0.000 1.008 278 T CB 1.828 70.604 68.868 -0.152 0.000 1.102 278 T HN -0.022 nan 8.240 nan 0.000 0.469 279 T N -0.302 114.175 114.554 -0.128 0.000 2.901 279 T HA 0.485 4.835 4.350 0.001 0.000 0.301 279 T C 1.421 176.017 174.700 -0.173 0.000 1.012 279 T CA 0.320 62.382 62.100 -0.063 0.000 1.135 279 T CB 0.561 69.396 68.868 -0.055 0.000 0.936 279 T HN 1.381 nan 8.240 nan 0.000 0.539 280 G N 1.437 110.224 108.800 -0.021 0.000 2.153 280 G HA2 -0.156 3.805 3.960 0.001 0.000 0.252 280 G HA3 -0.156 3.805 3.960 0.001 0.000 0.252 280 G C -0.019 174.433 174.900 -0.746 0.000 0.994 280 G CA 0.082 45.022 45.100 -0.268 0.000 0.698 280 G HN 1.129 nan 8.290 nan 0.000 0.521 281 V N 0.109 119.785 119.914 -0.398 0.000 2.841 281 V HA 0.449 4.570 4.120 0.001 0.000 0.310 281 V C 0.169 176.296 176.094 0.054 0.000 1.090 281 V CA -1.582 60.563 62.300 -0.259 0.000 0.930 281 V CB 1.883 33.573 31.823 -0.221 0.000 1.014 281 V HN 0.269 nan 8.190 nan 0.000 0.425 282 N N 2.262 121.099 118.700 0.229 0.000 2.294 282 N HA 0.067 4.807 4.740 0.001 0.000 0.248 282 N C 0.451 176.024 175.510 0.104 0.000 1.242 282 N CA 0.776 53.978 53.050 0.253 0.000 0.848 282 N CB 0.788 39.407 38.487 0.219 0.000 1.084 282 N HN 0.969 nan 8.380 nan 0.000 0.457 283 G N 0.450 109.303 108.800 0.089 0.000 2.606 283 G HA2 0.133 4.093 3.960 0.001 0.000 0.252 283 G HA3 0.133 4.093 3.960 0.001 0.000 0.252 283 G C -0.280 174.585 174.900 -0.059 0.000 1.206 283 G CA -0.413 44.671 45.100 -0.027 0.000 0.861 283 G HN 0.441 nan 8.290 nan 0.000 0.561 284 T N 0.593 115.059 114.554 -0.148 0.000 2.784 284 T HA 0.394 4.745 4.350 0.001 0.000 0.291 284 T C 1.437 176.072 174.700 -0.107 0.000 0.942 284 T CA 1.220 63.241 62.100 -0.132 0.000 1.161 284 T CB 0.514 69.269 68.868 -0.189 0.000 0.885 284 T HN 1.717 nan 8.240 nan 0.000 0.534 285 G N 2.719 111.491 108.800 -0.047 0.000 2.160 285 G HA2 -0.107 3.853 3.960 0.001 0.000 0.251 285 G HA3 -0.107 3.853 3.960 0.001 0.000 0.251 285 G C 0.302 175.208 174.900 0.010 0.000 1.008 285 G CA -0.190 44.899 45.100 -0.017 0.000 0.724 285 G HN 1.198 nan 8.290 nan 0.000 0.514 286 A N -0.018 122.815 122.820 0.021 0.000 2.477 286 A HA 0.627 4.947 4.320 0.001 0.000 0.246 286 A C 1.604 179.233 177.584 0.074 0.000 1.078 286 A CA 1.372 53.447 52.037 0.065 0.000 0.770 286 A CB 0.286 19.345 19.000 0.098 0.000 1.011 286 A HN 1.484 nan 8.150 nan 0.000 0.494 287 T N -0.816 113.792 114.554 0.091 0.000 3.081 287 T HA 0.256 4.606 4.350 0.001 0.000 0.250 287 T C 0.555 175.301 174.700 0.076 0.000 1.100 287 T CA 0.632 62.776 62.100 0.073 0.000 1.038 287 T CB -0.020 68.888 68.868 0.067 0.000 0.962 287 T HN 0.387 nan 8.240 nan 0.000 0.516 288 S N 0.931 116.709 115.700 0.130 0.000 2.521 288 S HA 0.762 5.232 4.470 0.001 0.000 0.295 288 S C -0.096 174.595 174.600 0.151 0.000 1.098 288 S CA -0.927 57.336 58.200 0.105 0.000 0.999 288 S CB 1.622 64.911 63.200 0.148 0.000 1.034 288 S HN 0.674 nan 8.310 nan 0.000 0.483 289 A N 3.379 126.211 122.820 0.020 0.000 2.386 289 A HA 0.319 4.640 4.320 0.001 0.000 0.248 289 A C 1.396 179.021 177.584 0.068 0.000 1.082 289 A CA -0.449 51.603 52.037 0.025 0.000 0.789 289 A CB -0.005 18.918 19.000 -0.129 0.000 1.025 289 A HN 1.117 nan 8.150 nan 0.000 0.490 290 W N 2.837 124.246 121.300 0.182 0.000 2.325 290 W HA -0.261 4.400 4.660 0.001 0.000 0.299 290 W C 1.170 177.826 176.519 0.229 0.000 1.215 290 W CA 1.514 59.022 57.345 0.272 0.000 1.244 290 W CB -0.917 28.667 29.460 0.206 0.000 1.140 290 W HN 0.874 nan 8.180 nan 0.000 0.523 291 N N 1.628 119.755 118.700 -0.955 0.000 2.459 291 N HA -0.171 4.570 4.740 0.001 0.000 0.181 291 N C 1.478 176.681 175.510 -0.511 0.000 1.046 291 N CA 1.140 53.562 53.050 -1.046 0.000 0.904 291 N CB -0.880 36.719 38.487 -1.480 0.000 0.964 291 N HN 0.147 nan 8.380 nan 0.000 0.444 292 I N 0.449 120.700 120.570 -0.532 0.000 2.530 292 I HA -0.169 4.001 4.170 0.001 0.000 0.257 292 I C 0.620 176.282 176.117 -0.758 0.000 1.179 292 I CA 1.017 61.902 61.300 -0.692 0.000 1.440 292 I CB -0.845 36.608 38.000 -0.912 0.000 1.087 292 I HN -0.015 nan 8.210 nan 0.000 0.440 293 F N 0.181 120.103 119.950 -0.046 0.000 2.684 293 F HA 0.187 4.715 4.527 0.001 0.000 0.298 293 F C 1.040 176.853 175.800 0.022 0.000 1.120 293 F CA -0.317 57.684 58.000 0.003 0.000 1.332 293 F CB -0.589 38.449 39.000 0.062 0.000 0.986 293 F HN -0.243 nan 8.300 nan 0.000 0.524 294 T N 0.883 115.481 114.554 0.074 0.000 2.832 294 T HA 0.300 4.651 4.350 0.001 0.000 0.296 294 T C 0.579 175.266 174.700 -0.021 0.000 0.968 294 T CA -0.409 61.737 62.100 0.077 0.000 1.107 294 T CB 1.016 69.916 68.868 0.054 0.000 0.916 294 T HN 0.303 nan 8.240 nan 0.000 0.517 295 S N 2.695 118.388 115.700 -0.011 0.000 2.661 295 S HA 0.292 4.763 4.470 0.001 0.000 0.265 295 S C 1.487 175.964 174.600 -0.205 0.000 1.225 295 S CA -0.775 57.364 58.200 -0.101 0.000 0.986 295 S CB 0.805 63.999 63.200 -0.009 0.000 1.008 295 S HN 0.741 nan 8.310 nan 0.000 0.565 296 K N -0.179 119.960 120.400 -0.434 0.000 2.152 296 K HA -0.091 4.229 4.320 0.001 0.000 0.206 296 K C 1.031 177.246 176.600 -0.642 0.000 1.048 296 K CA 1.629 57.521 56.287 -0.659 0.000 0.933 296 K CB -0.245 31.646 32.500 -1.014 0.000 0.721 296 K HN 0.844 nan 8.250 nan 0.000 0.447 297 W N -0.256 121.005 121.300 -0.066 0.000 3.290 297 W HA 0.284 4.945 4.660 0.001 0.000 0.287 297 W C 0.961 177.529 176.519 0.081 0.000 1.288 297 W CA 0.060 57.335 57.345 -0.117 0.000 1.725 297 W CB 0.383 29.658 29.460 -0.307 0.000 1.103 297 W HN 0.263 nan 8.180 nan 0.000 0.670 298 G N 0.500 109.402 108.800 0.171 0.000 2.132 298 G HA2 -0.263 3.697 3.960 0.001 0.000 0.228 298 G HA3 -0.263 3.697 3.960 0.001 0.000 0.228 298 G C -0.154 174.807 174.900 0.102 0.000 1.000 298 G CA -0.253 44.941 45.100 0.156 0.000 0.693 298 G HN 0.037 nan 8.290 nan 0.000 0.515 299 V N 0.965 120.937 119.914 0.097 0.000 2.479 299 V HA 0.359 4.480 4.120 0.001 0.000 0.281 299 V C 1.101 177.235 176.094 0.066 0.000 1.031 299 V CA -0.339 61.989 62.300 0.046 0.000 1.038 299 V CB 1.465 33.330 31.823 0.070 0.000 0.981 299 V HN 0.258 nan 8.190 nan 0.000 0.478 300 V N 5.867 125.793 119.914 0.019 0.000 2.465 300 V HA 0.245 4.366 4.120 0.001 0.000 0.279 300 V C 0.512 176.739 176.094 0.223 0.000 1.045 300 V CA -0.277 62.128 62.300 0.176 0.000 0.938 300 V CB 0.866 32.773 31.823 0.139 0.000 0.986 300 V HN 1.077 nan 8.190 nan 0.000 0.467 301 Q N 2.143 122.138 119.800 0.325 0.000 2.463 301 Q HA -0.272 4.069 4.340 0.001 0.000 0.299 301 Q C 1.265 177.364 176.000 0.166 0.000 1.353 301 Q CA 0.618 56.577 55.803 0.260 0.000 0.828 301 Q CB -1.395 27.467 28.738 0.207 0.000 1.157 301 Q HN 1.032 nan 8.270 nan 0.000 0.436 302 A N -0.168 122.760 122.820 0.181 0.000 1.969 302 A HA 0.072 4.392 4.320 0.001 0.000 0.218 302 A C 1.049 178.724 177.584 0.152 0.000 1.169 302 A CA 1.551 53.658 52.037 0.116 0.000 0.635 302 A CB 0.257 19.288 19.000 0.052 0.000 0.810 302 A HN 0.743 nan 8.150 nan 0.000 0.445 303 S N -5.018 110.769 115.700 0.144 0.000 2.651 303 S HA 0.556 5.027 4.470 0.001 0.000 0.279 303 S C 0.679 175.163 174.600 -0.193 0.000 1.148 303 S CA 0.332 58.592 58.200 0.101 0.000 0.837 303 S CB 1.112 64.419 63.200 0.178 0.000 1.138 303 S HN 1.908 nan 8.310 nan 0.000 0.478 304 G N -0.662 107.962 108.800 -0.292 0.000 2.168 304 G HA2 -0.274 3.687 3.960 0.001 0.000 0.263 304 G HA3 -0.274 3.687 3.960 0.001 0.000 0.263 304 G C 0.711 175.267 174.900 -0.574 0.000 0.977 304 G CA 0.487 45.295 45.100 -0.487 0.000 0.659 304 G HN 1.025 nan 8.290 nan 0.000 0.533 305 C N -1.623 117.425 119.300 -0.420 0.000 2.503 305 C HA 0.756 5.216 4.460 0.001 0.000 0.344 305 C C 0.628 175.591 174.990 -0.044 0.000 1.610 305 C CA 0.539 59.431 59.018 -0.209 0.000 2.351 305 C CB -0.285 27.351 27.740 -0.173 0.000 2.044 305 C HN 0.383 nan 8.230 nan 0.000 0.680 306 L N -0.936 120.226 121.223 -0.102 0.000 2.409 306 L HA 0.441 4.782 4.340 0.001 0.000 0.262 306 L C -1.317 175.433 176.870 -0.201 0.000 0.992 306 L CA -0.074 54.695 54.840 -0.118 0.000 0.817 306 L CB 0.880 42.953 42.059 0.022 0.000 1.350 306 L HN 0.440 nan 8.230 nan 0.000 0.411 307 W N 1.019 122.159 121.300 -0.266 0.000 2.193 307 W HA 0.301 4.962 4.660 0.001 0.000 0.338 307 W C 0.832 177.127 176.519 -0.375 0.000 1.310 307 W CA 0.256 57.380 57.345 -0.369 0.000 1.243 307 W CB 0.505 29.645 29.460 -0.535 0.000 1.165 307 W HN 0.323 nan 8.180 nan 0.000 0.566 308 T N 3.307 117.823 114.554 -0.063 0.000 2.829 308 T HA 0.286 4.636 4.350 0.001 0.000 0.282 308 T C -0.488 174.056 174.700 -0.259 0.000 0.990 308 T CA -0.696 61.325 62.100 -0.131 0.000 1.028 308 T CB 0.343 69.251 68.868 0.066 0.000 0.951 308 T HN 0.342 nan 8.240 nan 0.000 0.460 309 W N 2.768 123.897 121.300 -0.286 0.000 2.209 309 W HA 0.437 5.097 4.660 0.001 0.000 0.344 309 W C 1.148 177.532 176.519 -0.225 0.000 1.285 309 W CA -0.383 56.791 57.345 -0.285 0.000 1.267 309 W CB 0.449 29.779 29.460 -0.217 0.000 1.167 309 W HN 0.896 nan 8.180 nan 0.000 0.574 310 G N 1.209 110.005 108.800 -0.007 0.000 2.511 310 G HA2 0.168 4.128 3.960 0.001 0.000 0.318 310 G HA3 0.168 4.128 3.960 0.001 0.000 0.318 310 G C -0.873 174.108 174.900 0.134 0.000 1.210 310 G CA -0.913 44.192 45.100 0.008 0.000 0.969 310 G HN 0.439 nan 8.290 nan 0.000 0.484 311 N N -0.241 118.573 118.700 0.190 0.000 3.052 311 N HA 0.271 5.012 4.740 0.001 0.000 0.302 311 N C -0.539 175.068 175.510 0.162 0.000 1.332 311 N CA -0.198 52.998 53.050 0.244 0.000 1.129 311 N CB 0.215 38.837 38.487 0.224 0.000 1.436 311 N HN 0.499 nan 8.380 nan 0.000 0.536 312 E N -0.192 119.968 120.200 -0.068 0.000 2.363 312 E HA 0.359 4.709 4.350 0.001 0.000 0.281 312 E C -1.837 174.611 176.600 -0.253 0.000 0.953 312 E CA -0.511 55.910 56.400 0.036 0.000 0.778 312 E CB 0.551 30.400 29.700 0.249 0.000 1.220 312 E HN 0.025 nan 8.360 nan 0.000 0.431 313 F N 2.225 122.236 119.950 0.102 0.000 2.532 313 F HA 0.938 5.465 4.527 0.001 0.000 0.321 313 F C 0.862 176.768 175.800 0.177 0.000 1.089 313 F CA 0.314 58.343 58.000 0.049 0.000 0.926 313 F CB 2.663 41.592 39.000 -0.118 0.000 1.168 313 F HN 0.623 nan 8.300 nan 0.000 0.459 314 G N 0.212 109.229 108.800 0.363 0.000 2.324 314 G HA2 0.520 4.481 3.960 0.001 0.000 0.293 314 G HA3 0.520 4.481 3.960 0.001 0.000 0.293 314 G C -0.419 174.576 174.900 0.159 0.000 1.297 314 G CA 0.305 45.494 45.100 0.149 0.000 0.853 314 G HN 1.443 nan 8.290 nan 0.000 0.535 315 G N -1.862 106.908 108.800 -0.049 0.000 2.496 315 G HA2 0.130 4.091 3.960 0.001 0.000 0.243 315 G HA3 0.130 4.091 3.960 0.001 0.000 0.243 315 G C 0.190 175.092 174.900 0.003 0.000 1.176 315 G CA 0.530 45.616 45.100 -0.023 0.000 0.940 315 G HN 1.857 nan 8.290 nan 0.000 0.573 316 V N 3.028 122.956 119.914 0.024 0.000 2.555 316 V HA 0.349 4.469 4.120 0.001 0.000 0.286 316 V C 0.394 176.482 176.094 -0.010 0.000 1.044 316 V CA -0.415 61.882 62.300 -0.007 0.000 1.026 316 V CB 1.145 32.959 31.823 -0.014 0.000 0.981 316 V HN 0.618 nan 8.190 nan 0.000 0.480 317 N N 3.017 121.699 118.700 -0.029 0.000 2.509 317 N HA 0.422 5.163 4.740 0.001 0.000 0.287 317 N C 0.412 175.886 175.510 -0.060 0.000 1.121 317 N CA -0.044 52.981 53.050 -0.043 0.000 0.977 317 N CB 1.709 40.161 38.487 -0.059 0.000 1.167 317 N HN 0.774 nan 8.380 nan 0.000 0.476 318 G N -0.383 108.376 108.800 -0.069 0.000 2.611 318 G HA2 0.418 4.378 3.960 0.001 0.000 0.273 318 G HA3 0.418 4.378 3.960 0.001 0.000 0.273 318 G C -0.175 174.642 174.900 -0.139 0.000 1.305 318 G CA -0.394 44.655 45.100 -0.084 0.000 1.010 318 G HN 0.654 nan 8.290 nan 0.000 0.509 319 A N -0.522 122.205 122.820 -0.155 0.000 2.498 319 A HA 0.431 4.751 4.320 0.001 0.000 0.239 319 A C 0.956 178.295 177.584 -0.408 0.000 1.068 319 A CA 0.074 51.983 52.037 -0.214 0.000 0.766 319 A CB 0.140 19.040 19.000 -0.167 0.000 1.003 319 A HN 0.634 nan 8.150 nan 0.000 0.497 320 S N 1.553 116.968 115.700 -0.475 0.000 4.183 320 S HA 0.318 4.788 4.470 0.001 0.000 0.195 320 S C -0.043 173.930 174.600 -1.045 0.000 1.421 320 S CA 0.187 57.827 58.200 -0.933 0.000 0.920 320 S CB -0.822 62.121 63.200 -0.429 0.000 1.525 320 S HN 0.712 nan 8.310 nan 0.000 0.447 321 E N 0.847 120.416 120.200 -1.051 0.000 2.537 321 E HA 0.177 4.527 4.350 0.001 0.000 0.301 321 E C -1.613 174.845 176.600 -0.236 0.000 0.990 321 E CA -0.643 55.524 56.400 -0.387 0.000 0.828 321 E CB 0.749 30.350 29.700 -0.164 0.000 1.243 321 E HN 0.256 nan 8.360 nan 0.000 0.414 322 Y N 1.867 122.234 120.300 0.112 0.000 2.632 322 Y HA 0.186 4.737 4.550 0.001 0.000 0.329 322 Y C 0.292 176.206 175.900 0.024 0.000 1.174 322 Y CA 0.787 58.950 58.100 0.105 0.000 1.469 322 Y CB 1.131 39.665 38.460 0.124 0.000 1.242 322 Y HN 0.281 nan 8.280 nan 0.000 0.540 323 T N 3.052 117.713 114.554 0.179 0.000 2.840 323 T HA 0.542 4.893 4.350 0.001 0.000 0.287 323 T C -0.331 174.425 174.700 0.092 0.000 0.991 323 T CA -0.824 61.330 62.100 0.089 0.000 0.964 323 T CB 1.096 69.981 68.868 0.027 0.000 0.954 323 T HN 0.675 nan 8.240 nan 0.000 0.438 324 A N 3.821 126.680 122.820 0.065 0.000 2.922 324 A HA 0.375 4.696 4.320 0.001 0.000 0.298 324 A C 0.844 178.446 177.584 0.030 0.000 1.588 324 A CA -0.645 51.415 52.037 0.038 0.000 1.288 324 A CB -0.740 18.273 19.000 0.022 0.000 1.130 324 A HN 0.763 nan 8.150 nan 0.000 0.557 325 N N 0.018 118.740 118.700 0.037 0.000 2.365 325 N HA -0.009 4.732 4.740 0.001 0.000 0.257 325 N C 0.337 175.875 175.510 0.048 0.000 1.287 325 N CA 0.370 53.451 53.050 0.052 0.000 0.882 325 N CB -0.272 38.260 38.487 0.075 0.000 1.250 325 N HN 0.265 nan 8.380 nan 0.000 0.507 326 T N -4.047 110.474 114.554 -0.056 0.000 3.186 326 T HA 0.392 4.743 4.350 0.001 0.000 0.257 326 T C 1.170 175.732 174.700 -0.230 0.000 1.029 326 T CA 0.052 61.988 62.100 -0.275 0.000 0.916 326 T CB -0.580 68.042 68.868 -0.410 0.000 1.041 326 T HN 0.408 nan 8.240 nan 0.000 0.562 327 G N 0.653 109.406 108.800 -0.078 0.000 2.198 327 G HA2 0.158 4.119 3.960 0.001 0.000 0.257 327 G HA3 0.158 4.119 3.960 0.001 0.000 0.257 327 G C 0.943 175.816 174.900 -0.044 0.000 1.042 327 G CA 0.105 45.182 45.100 -0.039 0.000 0.791 327 G HN 1.860 nan 8.290 nan 0.000 0.502 328 G N -1.262 107.507 108.800 -0.051 0.000 2.142 328 G HA2 -0.200 3.760 3.960 0.001 0.000 0.225 328 G HA3 -0.200 3.760 3.960 0.001 0.000 0.225 328 G C 0.475 175.341 174.900 -0.056 0.000 1.015 328 G CA 0.721 45.797 45.100 -0.040 0.000 0.716 328 G HN 1.184 nan 8.290 nan 0.000 0.508 329 R N -0.076 120.368 120.500 -0.093 0.000 2.700 329 R HA 0.508 4.849 4.340 0.001 0.000 0.399 329 R C 0.996 177.238 176.300 -0.097 0.000 1.115 329 R CA 0.285 56.325 56.100 -0.099 0.000 1.058 329 R CB 0.634 30.853 30.300 -0.135 0.000 1.389 329 R HN 1.483 nan 8.270 nan 0.000 0.582 330 G N 0.240 108.995 108.800 -0.075 0.000 2.498 330 G HA2 -0.176 3.785 3.960 0.001 0.000 0.651 330 G HA3 -0.176 3.785 3.960 0.001 0.000 0.651 330 G C -0.833 174.046 174.900 -0.034 0.000 1.284 330 G CA -0.922 44.141 45.100 -0.062 0.000 0.950 330 G HN 0.108 nan 8.290 nan 0.000 0.511 331 S N -1.480 114.223 115.700 0.007 0.000 2.638 331 S HA 0.860 5.331 4.470 0.001 0.000 0.302 331 S C 0.120 174.876 174.600 0.260 0.000 1.096 331 S CA -0.047 58.225 58.200 0.120 0.000 0.953 331 S CB 1.806 65.096 63.200 0.150 0.000 1.107 331 S HN 1.963 nan 8.310 nan 0.000 0.503 332 V N 0.459 120.532 119.914 0.266 0.000 2.680 332 V HA 0.707 4.828 4.120 0.001 0.000 0.309 332 V C -1.568 174.572 176.094 0.078 0.000 1.052 332 V CA -0.773 61.643 62.300 0.194 0.000 0.908 332 V CB 1.358 33.233 31.823 0.087 0.000 1.001 332 V HN 0.885 nan 8.190 nan 0.000 0.431 333 Y N 4.052 124.219 120.300 -0.223 0.000 2.328 333 Y HA 0.633 5.184 4.550 0.001 0.000 0.336 333 Y C 0.722 176.477 175.900 -0.241 0.000 0.960 333 Y CA 0.068 57.900 58.100 -0.446 0.000 1.134 333 Y CB 1.507 39.406 38.460 -0.935 0.000 1.166 333 Y HN 1.636 nan 8.280 nan 0.000 0.464 334 A N 4.135 126.697 122.820 -0.430 0.000 2.745 334 A HA -0.305 4.016 4.320 0.001 0.000 0.296 334 A C 0.174 177.693 177.584 -0.107 0.000 1.500 334 A CA 1.025 52.923 52.037 -0.231 0.000 0.766 334 A CB -2.159 16.787 19.000 -0.090 0.000 1.030 334 A HN 0.773 nan 8.150 nan 0.000 0.489 335 Q N 0.509 120.246 119.800 -0.105 0.000 2.239 335 Q HA 0.356 4.697 4.340 0.001 0.000 0.286 335 Q C -1.778 174.193 176.000 -0.049 0.000 1.102 335 Q CA -0.978 54.778 55.803 -0.078 0.000 0.936 335 Q CB 0.417 29.123 28.738 -0.054 0.000 1.127 335 Q HN 0.605 nan 8.270 nan 0.000 0.380 336 P HA 0.080 nan 4.420 nan 0.000 0.272 336 P C -0.946 176.419 177.300 0.108 0.000 1.223 336 P CA -0.213 62.918 63.100 0.052 0.000 0.784 336 P CB 0.640 32.399 31.700 0.098 0.000 0.923 337 A N 2.142 125.004 122.820 0.069 0.000 2.547 337 A HA 0.380 4.701 4.320 0.001 0.000 0.233 337 A C 0.603 178.124 177.584 -0.106 0.000 1.067 337 A CA 0.263 52.299 52.037 -0.002 0.000 0.763 337 A CB -0.593 18.404 19.000 -0.005 0.000 1.007 337 A HN 0.649 nan 8.150 nan 0.000 0.506 338 A N 1.376 123.963 122.820 -0.388 0.000 2.301 338 A HA 0.646 4.967 4.320 0.001 0.000 0.312 338 A C 0.729 177.914 177.584 -0.664 0.000 1.182 338 A CA 0.063 51.550 52.037 -0.917 0.000 0.826 338 A CB 0.113 18.319 19.000 -1.324 0.000 1.134 338 A HN 2.258 nan 8.150 nan 0.000 0.501 339 A N 2.098 124.319 122.820 -0.998 0.000 2.520 339 A HA 0.491 4.812 4.320 0.001 0.000 0.235 339 A C -0.088 176.680 177.584 -1.360 0.000 1.065 339 A CA 0.339 51.377 52.037 -1.664 0.000 0.764 339 A CB -0.227 17.466 19.000 -2.179 0.000 1.002 339 A HN 0.846 nan 8.150 nan 0.000 0.502 340 L N 1.468 121.746 121.223 -1.575 0.000 2.346 340 L HA 0.662 5.003 4.340 0.001 0.000 0.276 340 L C -1.194 174.968 176.870 -1.181 0.000 1.006 340 L CA -0.410 53.653 54.840 -1.295 0.000 0.817 340 L CB 1.672 42.817 42.059 -1.524 0.000 1.272 340 L HN 0.631 nan 8.230 nan 0.000 0.421 341 F N 0.334 120.014 119.950 -0.450 0.000 2.551 341 F HA 0.702 5.230 4.527 0.001 0.000 0.316 341 F C 0.892 176.392 175.800 -0.500 0.000 1.089 341 F CA -0.419 57.161 58.000 -0.701 0.000 0.915 341 F CB 1.993 40.011 39.000 -1.637 0.000 1.186 341 F HN 0.621 nan 8.300 nan 0.000 0.456 342 G N 0.628 109.357 108.800 -0.117 0.000 2.284 342 G HA2 0.277 4.238 3.960 0.001 0.000 0.216 342 G HA3 0.277 4.238 3.960 0.001 0.000 0.216 342 G C 0.509 175.224 174.900 -0.308 0.000 1.009 342 G CA 0.039 45.175 45.100 0.059 0.000 0.625 342 G HN 1.975 nan 8.290 nan 0.000 0.501 343 G N -0.420 107.730 108.800 -1.084 0.000 2.758 343 G HA2 0.320 4.280 3.960 0.001 0.000 0.686 343 G HA3 0.320 4.280 3.960 0.001 0.000 0.686 343 G C -0.325 173.759 174.900 -1.360 0.000 1.389 343 G CA 0.502 44.607 45.100 -1.658 0.000 0.845 343 G HN 2.260 nan 8.290 nan 0.000 0.572 344 N N -1.675 116.251 118.700 -1.291 0.000 2.815 344 N HA 0.683 5.423 4.740 0.001 0.000 0.315 344 N C 1.136 176.304 175.510 -0.569 0.000 1.320 344 N CA -0.160 52.376 53.050 -0.857 0.000 0.846 344 N CB 0.429 38.313 38.487 -1.004 0.000 1.344 344 N HN 1.172 nan 8.380 nan 0.000 0.593 345 W N -0.743 120.380 121.300 -0.295 0.000 2.364 345 W HA -0.008 4.653 4.660 0.001 0.000 0.281 345 W C 0.794 177.227 176.519 -0.143 0.000 1.219 345 W CA 0.802 58.022 57.345 -0.208 0.000 1.220 345 W CB -0.498 28.878 29.460 -0.140 0.000 1.127 345 W HN 0.582 nan 8.180 nan 0.000 0.556 346 N N 0.145 118.425 118.700 -0.700 0.000 2.268 346 N HA 0.006 4.746 4.740 0.001 0.000 0.204 346 N C 0.542 175.894 175.510 -0.262 0.000 1.124 346 N CA 0.275 53.093 53.050 -0.387 0.000 0.838 346 N CB 0.037 38.216 38.487 -0.514 0.000 0.994 346 N HN 0.061 nan 8.380 nan 0.000 0.489 347 S N 0.064 115.591 115.700 -0.288 0.000 2.605 347 S HA -0.018 4.452 4.470 0.001 0.000 0.217 347 S C 1.051 175.585 174.600 -0.110 0.000 0.958 347 S CA 0.499 58.568 58.200 -0.218 0.000 0.919 347 S CB 0.115 63.103 63.200 -0.353 0.000 0.780 347 S HN 0.672 nan 8.310 nan 0.000 0.507 348 T N 1.501 116.013 114.554 -0.069 0.000 11.819 348 T HA -0.371 3.980 4.350 0.001 0.000 0.359 348 T C 1.385 176.082 174.700 -0.005 0.000 1.503 348 T CA 2.049 64.139 62.100 -0.017 0.000 2.035 348 T CB -1.801 67.066 68.868 -0.003 0.000 2.410 348 T HN 0.643 nan 8.240 nan 0.000 0.441 349 S N 1.711 117.415 115.700 0.006 0.000 2.603 349 S HA 0.153 4.624 4.470 0.001 0.000 0.220 349 S C 1.513 176.126 174.600 0.023 0.000 0.967 349 S CA 0.461 58.673 58.200 0.020 0.000 0.920 349 S CB -0.298 62.916 63.200 0.023 0.000 0.773 349 S HN 0.663 nan 8.310 nan 0.000 0.529 350 N N 1.891 120.596 118.700 0.007 0.000 2.446 350 N HA 0.136 4.876 4.740 0.001 0.000 0.179 350 N C 0.210 175.725 175.510 0.009 0.000 1.054 350 N CA 0.239 53.304 53.050 0.025 0.000 0.905 350 N CB -0.111 38.397 38.487 0.034 0.000 0.973 350 N HN 0.302 nan 8.380 nan 0.000 0.448 351 S N -0.371 115.299 115.700 -0.050 0.000 2.584 351 S HA 0.551 5.022 4.470 0.001 0.000 0.270 351 S C 0.868 175.493 174.600 0.041 0.000 1.346 351 S CA -0.016 58.137 58.200 -0.077 0.000 1.018 351 S CB 1.248 64.372 63.200 -0.126 0.000 0.899 351 S HN 0.517 nan 8.310 nan 0.000 0.542 352 G N 0.298 109.153 108.800 0.091 0.000 2.337 352 G HA2 0.227 4.188 3.960 0.001 0.000 0.298 352 G HA3 0.227 4.188 3.960 0.001 0.000 0.298 352 G C 0.372 175.438 174.900 0.277 0.000 1.335 352 G CA -0.075 45.121 45.100 0.160 0.000 0.875 352 G HN 0.775 nan 8.290 nan 0.000 0.579 353 S N -1.129 114.716 115.700 0.243 0.000 2.507 353 S HA 0.012 4.483 4.470 0.001 0.000 0.235 353 S C 1.530 176.412 174.600 0.471 0.000 0.988 353 S CA 1.303 59.670 58.200 0.279 0.000 0.944 353 S CB -0.010 63.274 63.200 0.139 0.000 0.762 353 S HN 0.572 nan 8.310 nan 0.000 0.526 354 R N 0.564 121.317 120.500 0.421 0.000 2.535 354 R HA 0.450 4.791 4.340 0.001 0.000 0.323 354 R C 0.179 176.777 176.300 0.497 0.000 0.979 354 R CA 0.220 56.626 56.100 0.510 0.000 1.120 354 R CB 0.639 31.143 30.300 0.339 0.000 1.306 354 R HN 0.383 nan 8.270 nan 0.000 0.540 355 A N 1.612 124.659 122.820 0.378 0.000 2.546 355 A HA 0.511 4.831 4.320 0.001 0.000 0.243 355 A C 0.043 177.839 177.584 0.353 0.000 1.063 355 A CA 0.335 52.559 52.037 0.313 0.000 0.757 355 A CB 0.168 19.275 19.000 0.179 0.000 0.991 355 A HN 0.319 nan 8.150 nan 0.000 0.503 356 A N 2.681 125.692 122.820 0.317 0.000 2.520 356 A HA 0.684 5.004 4.320 0.001 0.000 0.298 356 A C -0.630 176.882 177.584 -0.119 0.000 1.051 356 A CA -0.556 51.505 52.037 0.039 0.000 0.690 356 A CB 1.188 20.213 19.000 0.043 0.000 1.281 356 A HN 1.014 nan 8.150 nan 0.000 0.402 357 N N 0.852 119.137 118.700 -0.691 0.000 2.410 357 N HA 0.584 5.325 4.740 0.001 0.000 0.287 357 N C -1.397 173.666 175.510 -0.746 0.000 1.044 357 N CA -0.399 52.263 53.050 -0.646 0.000 0.881 357 N CB 1.021 38.847 38.487 -1.100 0.000 1.405 357 N HN 0.610 nan 8.380 nan 0.000 0.490 358 W N 2.722 123.807 121.300 -0.358 0.000 2.159 358 W HA 0.402 5.062 4.660 0.001 0.000 0.375 358 W C 0.691 177.069 176.519 -0.235 0.000 0.794 358 W CA -0.583 56.583 57.345 -0.299 0.000 2.716 358 W CB 0.052 29.388 29.460 -0.206 0.000 1.583 358 W HN 0.554 nan 8.180 nan 0.000 0.702 359 N N -0.086 118.533 118.700 -0.135 0.000 2.171 359 N HA 0.089 4.830 4.740 0.001 0.000 0.212 359 N C -0.403 175.023 175.510 -0.139 0.000 1.184 359 N CA 0.203 53.186 53.050 -0.113 0.000 0.888 359 N CB 0.566 38.980 38.487 -0.122 0.000 1.038 359 N HN -0.249 nan 8.380 nan 0.000 0.517 360 S N -0.291 115.298 115.700 -0.185 0.000 2.530 360 S HA 0.612 5.082 4.470 0.001 0.000 0.322 360 S C 0.232 174.825 174.600 -0.012 0.000 1.085 360 S CA -0.847 57.283 58.200 -0.117 0.000 1.096 360 S CB 1.250 64.316 63.200 -0.224 0.000 0.988 360 S HN 0.352 nan 8.310 nan 0.000 0.466 361 G N 3.494 112.299 108.800 0.009 0.000 2.614 361 G HA2 0.259 4.220 3.960 0.001 0.000 0.239 361 G HA3 0.259 4.220 3.960 0.001 0.000 0.239 361 G C -1.450 173.448 174.900 -0.004 0.000 1.240 361 G CA -1.136 43.962 45.100 -0.004 0.000 0.842 361 G HN 0.430 nan 8.290 nan 0.000 0.584 362 P HA -0.123 nan 4.420 nan 0.000 0.225 362 P C 1.725 178.875 177.300 -0.250 0.000 1.148 362 P CA 1.564 64.349 63.100 -0.524 0.000 0.779 362 P CB 0.143 31.325 31.700 -0.865 0.000 0.780 363 S N -2.564 113.153 115.700 0.028 0.000 2.562 363 S HA 0.008 4.479 4.470 0.001 0.000 0.221 363 S C 1.048 175.754 174.600 0.177 0.000 0.975 363 S CA -0.323 57.977 58.200 0.167 0.000 0.918 363 S CB -0.948 62.361 63.200 0.181 0.000 0.772 363 S HN 0.017 nan 8.310 nan 0.000 0.531 364 N N 2.292 121.118 118.700 0.211 0.000 2.416 364 N HA 0.156 4.897 4.740 0.001 0.000 0.246 364 N C -0.603 175.109 175.510 0.337 0.000 1.260 364 N CA 0.415 53.607 53.050 0.237 0.000 0.897 364 N CB 1.161 39.767 38.487 0.198 0.000 1.110 364 N HN 0.296 nan 8.380 nan 0.000 0.439 365 S N 1.227 117.066 115.700 0.231 0.000 2.486 365 S HA 0.279 4.750 4.470 0.001 0.000 0.144 365 S C -2.798 171.901 174.600 0.165 0.000 1.542 365 S CA -0.971 57.379 58.200 0.249 0.000 1.262 365 S CB 0.154 63.486 63.200 0.220 0.000 1.462 365 S HN 0.369 nan 8.310 nan 0.000 0.381 366 P HA 0.483 nan 4.420 nan 0.000 0.283 366 P C 0.677 178.034 177.300 0.096 0.000 1.278 366 P CA -0.509 62.634 63.100 0.071 0.000 0.834 366 P CB 1.266 32.966 31.700 0.000 0.000 1.150 367 A N 1.615 124.511 122.820 0.126 0.000 2.121 367 A HA -0.161 4.160 4.320 0.001 0.000 0.218 367 A C 1.337 179.071 177.584 0.250 0.000 1.154 367 A CA 1.564 53.719 52.037 0.198 0.000 0.679 367 A CB -1.290 17.859 19.000 0.248 0.000 0.795 367 A HN 0.717 nan 8.150 nan 0.000 0.458 368 N N -0.582 118.187 118.700 0.115 0.000 2.230 368 N HA 0.204 4.945 4.740 0.001 0.000 0.202 368 N C -0.274 175.229 175.510 -0.011 0.000 1.119 368 N CA -0.066 52.981 53.050 -0.005 0.000 0.851 368 N CB -0.235 38.015 38.487 -0.396 0.000 0.990 368 N HN 0.401 nan 8.380 nan 0.000 0.497 369 I N 0.122 120.640 120.570 -0.087 0.000 2.389 369 I HA 0.593 4.763 4.170 0.001 0.000 0.288 369 I C 0.543 176.446 176.117 -0.357 0.000 0.999 369 I CA -0.965 60.140 61.300 -0.326 0.000 1.129 369 I CB 1.867 39.422 38.000 -0.741 0.000 1.288 369 I HN 0.124 nan 8.210 nan 0.000 0.444 370 G N 4.159 112.717 108.800 -0.404 0.000 3.234 370 G HA2 0.919 4.880 3.960 0.001 0.000 0.159 370 G HA3 0.919 4.880 3.960 0.001 0.000 0.159 370 G C -1.373 173.134 174.900 -0.656 0.000 1.175 370 G CA -0.504 44.277 45.100 -0.532 0.000 0.900 370 G HN 0.740 nan 8.290 nan 0.000 0.621 371 A N -0.929 121.688 122.820 -0.339 0.000 2.574 371 A HA 0.807 5.127 4.320 0.001 0.000 0.297 371 A C -0.947 176.659 177.584 0.036 0.000 1.062 371 A CA -0.534 51.416 52.037 -0.146 0.000 0.686 371 A CB 1.822 20.770 19.000 -0.087 0.000 1.285 371 A HN 0.688 nan 8.150 nan 0.000 0.403 372 R N 0.948 121.505 120.500 0.095 0.000 2.561 372 R HA 0.594 4.935 4.340 0.001 0.000 0.297 372 R C 0.036 176.419 176.300 0.139 0.000 0.969 372 R CA -0.187 55.996 56.100 0.139 0.000 0.879 372 R CB 1.959 32.378 30.300 0.198 0.000 1.178 372 R HN 1.120 nan 8.270 nan 0.000 0.445 373 G N 2.150 111.022 108.800 0.120 0.000 2.420 373 G HA2 0.478 4.439 3.960 0.001 0.000 0.284 373 G HA3 0.478 4.439 3.960 0.001 0.000 0.284 373 G C -0.532 174.463 174.900 0.158 0.000 1.177 373 G CA -0.374 44.794 45.100 0.114 0.000 0.841 373 G HN 0.493 nan 8.290 nan 0.000 0.527 374 V N -1.269 118.744 119.914 0.165 0.000 3.102 374 V HA 0.887 5.008 4.120 0.001 0.000 0.312 374 V C 0.072 176.282 176.094 0.194 0.000 1.135 374 V CA -0.748 61.690 62.300 0.230 0.000 1.022 374 V CB 1.097 33.058 31.823 0.231 0.000 1.056 374 V HN 1.585 nan 8.190 nan 0.000 0.436 375 C N -0.172 119.287 119.300 0.265 0.000 3.320 375 C HA 0.699 5.159 4.460 0.001 0.000 0.335 375 C C -0.675 174.491 174.990 0.293 0.000 1.430 375 C CA -0.506 58.634 59.018 0.204 0.000 1.271 375 C CB 0.919 28.733 27.740 0.123 0.000 1.609 375 C HN 0.957 nan 8.230 nan 0.000 0.457 376 D N 0.647 121.175 120.400 0.212 0.000 2.382 376 D HA 0.219 4.860 4.640 0.001 0.000 0.240 376 D C 0.008 176.521 176.300 0.355 0.000 1.146 376 D CA 0.515 54.662 54.000 0.245 0.000 0.897 376 D CB 0.250 41.132 40.800 0.136 0.000 1.197 376 D HN 0.715 nan 8.370 nan 0.000 0.432 377 H N 1.529 120.772 119.070 0.288 0.000 2.690 377 H HA 0.299 4.855 4.556 0.001 0.000 0.314 377 H C -0.993 174.409 175.328 0.123 0.000 1.069 377 H CA -0.793 55.445 56.048 0.317 0.000 1.436 377 H CB 0.744 30.584 29.762 0.130 0.000 1.462 377 H HN 0.130 nan 8.280 nan 0.000 0.511 378 L N 7.412 128.448 121.223 -0.312 0.000 2.305 378 L HA 0.406 4.747 4.340 0.001 0.000 0.284 378 L C -1.345 175.278 176.870 -0.413 0.000 1.013 378 L CA -0.391 54.275 54.840 -0.291 0.000 0.819 378 L CB 0.789 42.762 42.059 -0.144 0.000 1.227 378 L HN 0.552 nan 8.230 nan 0.000 0.417 379 I N 5.913 126.312 120.570 -0.286 0.000 2.404 379 I HA 0.424 4.595 4.170 0.001 0.000 0.293 379 I C -0.356 175.770 176.117 0.014 0.000 0.992 379 I CA -0.373 60.879 61.300 -0.080 0.000 1.149 379 I CB 1.599 39.603 38.000 0.007 0.000 1.315 379 I HN 0.583 nan 8.210 nan 0.000 0.446 380 L N 0.000 121.270 121.223 0.079 0.000 2.949 380 L HA 0.000 4.341 4.340 0.001 0.000 0.249 380 L CA 0.000 54.890 54.840 0.083 0.000 0.813 380 L CB 0.000 42.113 42.059 0.090 0.000 0.961 380 L HN 0.000 nan 8.230 nan 0.000 0.502