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 2ek8_1_A DATA FIRST_RESID 5 DATA SEQUENCE ADHQITKRTD AENMYNTIQF LSQAPRVAGS PEELKAVRYI EQQFKSYGYH DATA SEQUENCE VEVQPFQFEG YTAPSEVTLK IGTEKKEGEA FTYSPNSDVT AELVYVGLGT DATA SEQUENCE TADVAGKDLN GKIALIQRGN ISFADKVRNA AKQGAKAVII YNNTDGKLNG DATA SEQUENCE TLGGSDASFV AAVGITKQEG DALAANLRAG EKITATVKVA GAEVKTLTSH DATA SEQUENCE NVIATKKPDA NKKNTNDIII IGSHHDSVEK APGANDDASG VAVTLELARV DATA SEQUENCE MSKLKTDTEL RFITFGAEEN GLIGSKKYAA SLSEDEIKRT IGMFQLDMVG DATA SEQUENCE SKDAGDLIMY TIDGKKNRVT DLGAAASSRL SGVLPYGQEG RSDHESFHAL DATA SEQUENCE GIPAALFIHA PVEPWYHTPN DTLDKISKEK LDNVADIVGS AVYQAARPGE DATA SEQUENCE LVIEPIDYPR RN 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 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.681 177.584 0.161 0.000 1.274 5 A CA 0.000 52.126 52.037 0.148 0.000 0.836 5 A CB 0.000 19.092 19.000 0.153 0.000 0.831 6 D N 0.678 121.105 120.400 0.046 0.000 2.182 6 D HA -0.143 4.497 4.640 -0.000 0.000 0.201 6 D C 1.375 177.720 176.300 0.076 0.000 0.986 6 D CA 1.698 55.727 54.000 0.049 0.000 0.847 6 D CB -0.585 40.224 40.800 0.015 0.000 0.942 6 D HN 0.810 nan 8.370 nan 0.000 0.467 7 H N 0.123 119.191 119.070 -0.004 0.000 2.422 7 H HA -0.080 4.476 4.556 -0.000 0.000 0.298 7 H C 1.963 177.247 175.328 -0.074 0.000 1.098 7 H CA 0.604 56.634 56.048 -0.030 0.000 1.315 7 H CB 0.333 30.088 29.762 -0.012 0.000 1.382 7 H HN 0.061 nan 8.280 nan 0.000 0.523 8 Q N 0.303 120.109 119.800 0.010 0.000 2.226 8 Q HA -0.110 4.229 4.340 -0.000 0.000 0.204 8 Q C 2.135 177.999 176.000 -0.226 0.000 0.975 8 Q CA 1.045 56.761 55.803 -0.144 0.000 0.866 8 Q CB 0.028 28.591 28.738 -0.292 0.000 0.915 8 Q HN 0.522 nan 8.270 nan 0.000 0.440 9 I N -0.279 120.161 120.570 -0.217 0.000 2.364 9 I HA -0.145 4.025 4.170 -0.000 0.000 0.241 9 I C 2.442 178.502 176.117 -0.095 0.000 1.082 9 I CA 1.530 62.718 61.300 -0.186 0.000 1.401 9 I CB -1.190 36.714 38.000 -0.161 0.000 1.126 9 I HN 0.143 nan 8.210 nan 0.000 0.429 10 T N 0.216 114.748 114.554 -0.037 0.000 2.849 10 T HA -0.239 4.111 4.350 -0.000 0.000 0.270 10 T C 1.645 176.319 174.700 -0.043 0.000 1.066 10 T CA 1.608 63.698 62.100 -0.017 0.000 1.130 10 T CB -0.643 68.248 68.868 0.038 0.000 0.864 10 T HN 0.530 nan 8.240 nan 0.000 0.481 11 K N 0.448 120.814 120.400 -0.057 0.000 2.426 11 K HA 0.171 4.490 4.320 -0.000 0.000 0.193 11 K C 2.173 178.729 176.600 -0.072 0.000 1.028 11 K CA 0.073 56.315 56.287 -0.075 0.000 1.047 11 K CB 0.113 32.563 32.500 -0.084 0.000 0.821 11 K HN 0.261 nan 8.250 nan 0.000 0.513 12 R N 0.999 121.451 120.500 -0.081 0.000 2.373 12 R HA 0.053 4.393 4.340 -0.000 0.000 0.221 12 R C -0.126 176.121 176.300 -0.089 0.000 0.893 12 R CA 0.334 56.381 56.100 -0.089 0.000 1.049 12 R CB 0.855 31.089 30.300 -0.111 0.000 1.119 12 R HN 0.242 nan 8.270 nan 0.000 0.535 13 T N 0.413 114.920 114.554 -0.078 0.000 2.771 13 T HA 0.032 4.381 4.350 -0.000 0.000 0.277 13 T C -0.121 174.549 174.700 -0.051 0.000 0.919 13 T CA -0.287 61.772 62.100 -0.068 0.000 1.163 13 T CB 0.677 69.514 68.868 -0.052 0.000 0.876 13 T HN -0.115 nan 8.240 nan 0.000 0.545 14 D N 2.682 123.049 120.400 -0.055 0.000 2.365 14 D HA 0.367 5.007 4.640 -0.000 0.000 0.237 14 D C 1.121 177.417 176.300 -0.007 0.000 1.190 14 D CA -0.404 53.576 54.000 -0.034 0.000 0.867 14 D CB 1.109 41.885 40.800 -0.040 0.000 1.050 14 D HN 0.638 nan 8.370 nan 0.000 0.491 15 A N 4.564 127.386 122.820 0.003 0.000 2.015 15 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 15 A C 1.851 179.473 177.584 0.064 0.000 1.163 15 A CA 0.935 52.991 52.037 0.031 0.000 0.646 15 A CB -0.034 18.976 19.000 0.017 0.000 0.806 15 A HN 0.508 nan 8.150 nan 0.000 0.448 16 E N 0.591 120.816 120.200 0.041 0.000 2.072 16 E HA -0.136 4.213 4.350 -0.000 0.000 0.191 16 E C 1.615 178.286 176.600 0.118 0.000 0.985 16 E CA 0.931 57.373 56.400 0.071 0.000 0.801 16 E CB -0.445 29.271 29.700 0.027 0.000 0.750 16 E HN 0.559 nan 8.360 nan 0.000 0.452 17 N N 0.785 119.527 118.700 0.071 0.000 2.069 17 N HA -0.113 4.626 4.740 -0.000 0.000 0.191 17 N C 1.937 177.502 175.510 0.092 0.000 1.031 17 N CA 1.216 54.308 53.050 0.069 0.000 0.852 17 N CB -0.324 38.176 38.487 0.021 0.000 1.018 17 N HN 0.220 nan 8.380 nan 0.000 0.423 18 M N -0.875 118.776 119.600 0.083 0.000 2.117 18 M HA -0.183 4.297 4.480 -0.000 0.000 0.262 18 M C 1.997 178.370 176.300 0.122 0.000 1.065 18 M CA 1.269 56.621 55.300 0.087 0.000 1.114 18 M CB -0.493 32.151 32.600 0.073 0.000 1.361 18 M HN 0.137 nan 8.290 nan 0.000 0.408 19 Y N 1.935 122.257 120.300 0.035 0.000 2.145 19 Y HA -0.252 4.298 4.550 -0.000 0.000 0.286 19 Y C 2.146 178.074 175.900 0.048 0.000 1.145 19 Y CA 1.775 59.897 58.100 0.037 0.000 1.148 19 Y CB -0.338 38.137 38.460 0.026 0.000 0.981 19 Y HN 0.265 nan 8.280 nan 0.000 0.507 20 N N -0.666 118.130 118.700 0.160 0.000 2.166 20 N HA -0.154 4.586 4.740 -0.000 0.000 0.186 20 N C 1.774 177.324 175.510 0.067 0.000 1.019 20 N CA 1.852 54.960 53.050 0.097 0.000 0.856 20 N CB -0.783 37.792 38.487 0.145 0.000 0.993 20 N HN 0.376 nan 8.380 nan 0.000 0.426 21 T N 1.884 116.498 114.554 0.100 0.000 2.708 21 T HA 0.001 4.351 4.350 -0.000 0.000 0.266 21 T C 2.081 176.810 174.700 0.048 0.000 1.037 21 T CA 0.742 62.933 62.100 0.152 0.000 1.146 21 T CB -0.178 68.778 68.868 0.147 0.000 0.865 21 T HN 0.192 nan 8.240 nan 0.000 0.435 22 I N 1.049 121.597 120.570 -0.037 0.000 2.286 22 I HA -0.177 3.992 4.170 -0.000 0.000 0.248 22 I C 2.936 178.945 176.117 -0.179 0.000 1.115 22 I CA 1.085 62.324 61.300 -0.103 0.000 1.392 22 I CB -0.463 37.456 38.000 -0.135 0.000 1.065 22 I HN 0.226 nan 8.210 nan 0.000 0.418 23 Q N 1.202 120.848 119.800 -0.257 0.000 2.061 23 Q HA -0.258 4.081 4.340 -0.000 0.000 0.204 23 Q C 2.235 178.135 176.000 -0.167 0.000 0.984 23 Q CA 2.045 57.700 55.803 -0.247 0.000 0.846 23 Q CB -0.432 28.165 28.738 -0.235 0.000 0.902 23 Q HN 0.488 nan 8.270 nan 0.000 0.421 24 F N 0.784 120.583 119.950 -0.251 0.000 2.084 24 F HA -0.142 4.385 4.527 -0.000 0.000 0.296 24 F C 2.089 177.682 175.800 -0.345 0.000 1.111 24 F CA 1.267 59.063 58.000 -0.341 0.000 1.224 24 F CB -0.330 38.308 39.000 -0.603 0.000 0.991 24 F HN 0.046 nan 8.300 nan 0.000 0.471 25 L N 0.030 121.067 121.223 -0.310 0.000 2.141 25 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 25 L C 2.089 178.802 176.870 -0.262 0.000 1.094 25 L CA 1.345 56.014 54.840 -0.286 0.000 0.763 25 L CB -0.828 41.195 42.059 -0.059 0.000 0.908 25 L HN 0.318 nan 8.230 nan 0.000 0.437 26 S N -1.676 113.893 115.700 -0.219 0.000 2.679 26 S HA 0.052 4.521 4.470 -0.000 0.000 0.233 26 S C 1.277 175.766 174.600 -0.184 0.000 0.951 26 S CA -0.394 57.708 58.200 -0.163 0.000 0.973 26 S CB 0.123 63.253 63.200 -0.116 0.000 0.778 26 S HN 0.415 nan 8.310 nan 0.000 0.477 27 Q N 0.699 120.342 119.800 -0.262 0.000 2.369 27 Q HA 0.328 4.667 4.340 -0.000 0.000 0.206 27 Q C 0.696 176.593 176.000 -0.171 0.000 0.963 27 Q CA 0.885 56.550 55.803 -0.229 0.000 0.894 27 Q CB 0.077 28.630 28.738 -0.308 0.000 0.965 27 Q HN 0.808 nan 8.270 nan 0.000 0.475 28 A N 0.418 123.140 122.820 -0.164 0.000 2.608 28 A HA 0.529 4.849 4.320 -0.000 0.000 0.292 28 A C -2.857 174.678 177.584 -0.083 0.000 1.066 28 A CA -1.427 50.543 52.037 -0.110 0.000 0.676 28 A CB 0.900 19.835 19.000 -0.108 0.000 1.277 28 A HN -0.192 nan 8.150 nan 0.000 0.413 29 P HA 0.317 nan 4.420 nan 0.000 0.268 29 P C -0.678 176.618 177.300 -0.007 0.000 1.208 29 P CA 0.137 63.225 63.100 -0.020 0.000 0.777 29 P CB 0.334 32.026 31.700 -0.013 0.000 0.875 30 R N 1.396 121.912 120.500 0.028 0.000 2.860 30 R HA 0.296 4.636 4.340 -0.000 0.000 0.282 30 R C -0.840 175.522 176.300 0.103 0.000 1.408 30 R CA -0.638 55.499 56.100 0.062 0.000 1.636 30 R CB 0.298 30.650 30.300 0.085 0.000 1.187 30 R HN 0.255 nan 8.270 nan 0.000 0.611 31 V N 1.998 121.963 119.914 0.085 0.000 2.585 31 V HA 0.069 4.189 4.120 -0.000 0.000 0.296 31 V C 1.078 177.271 176.094 0.165 0.000 1.035 31 V CA -0.295 62.070 62.300 0.107 0.000 1.084 31 V CB 0.915 32.788 31.823 0.083 0.000 0.953 31 V HN 0.680 nan 8.190 nan 0.000 0.483 32 A N 4.458 127.396 122.820 0.196 0.000 2.567 32 A HA 0.445 4.765 4.320 -0.000 0.000 0.240 32 A C 1.610 179.436 177.584 0.403 0.000 1.053 32 A CA 0.590 52.782 52.037 0.258 0.000 0.755 32 A CB -0.609 18.457 19.000 0.110 0.000 0.978 32 A HN 2.263 nan 8.150 nan 0.000 0.507 33 G N 1.347 110.372 108.800 0.374 0.000 2.184 33 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.264 33 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.264 33 G C 0.580 175.575 174.900 0.160 0.000 0.975 33 G CA 1.152 46.431 45.100 0.298 0.000 0.642 33 G HN 2.225 nan 8.290 nan 0.000 0.536 34 S N -0.496 115.294 115.700 0.150 0.000 2.713 34 S HA 0.733 5.203 4.470 -0.000 0.000 0.283 34 S C -0.946 173.697 174.600 0.071 0.000 1.161 34 S CA -0.719 57.534 58.200 0.089 0.000 0.999 34 S CB 2.466 65.711 63.200 0.075 0.000 1.039 34 S HN -0.076 nan 8.310 nan 0.000 0.548 35 P HA -0.043 nan 4.420 nan 0.000 0.218 35 P C 1.232 178.543 177.300 0.019 0.000 1.148 35 P CA 0.968 64.084 63.100 0.027 0.000 0.822 35 P CB 0.090 31.797 31.700 0.012 0.000 0.784 36 E N -0.425 119.785 120.200 0.016 0.000 2.107 36 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 36 E C 1.961 178.571 176.600 0.017 0.000 0.982 36 E CA 0.900 57.299 56.400 -0.002 0.000 0.809 36 E CB -0.436 29.255 29.700 -0.016 0.000 0.756 36 E HN 0.460 nan 8.360 nan 0.000 0.459 37 E N 0.496 120.730 120.200 0.058 0.000 2.106 37 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 37 E C 2.115 178.721 176.600 0.010 0.000 0.984 37 E CA 0.350 56.797 56.400 0.078 0.000 0.806 37 E CB 0.040 29.846 29.700 0.176 0.000 0.750 37 E HN 0.047 nan 8.360 nan 0.000 0.458 38 L N 1.785 123.022 121.223 0.023 0.000 2.083 38 L HA -0.165 4.174 4.340 -0.000 0.000 0.209 38 L C 2.295 179.136 176.870 -0.047 0.000 1.083 38 L CA 1.881 56.697 54.840 -0.040 0.000 0.752 38 L CB -0.437 41.618 42.059 -0.007 0.000 0.899 38 L HN -0.014 nan 8.230 nan 0.000 0.433 39 K N -0.746 119.654 120.400 0.001 0.000 2.057 39 K HA -0.157 4.162 4.320 -0.000 0.000 0.207 39 K C 1.970 178.631 176.600 0.102 0.000 1.049 39 K CA 1.281 57.598 56.287 0.050 0.000 0.931 39 K CB -0.196 32.331 32.500 0.046 0.000 0.714 39 K HN 0.432 nan 8.250 nan 0.000 0.440 40 A N 0.692 123.542 122.820 0.050 0.000 1.902 40 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 40 A C 2.230 179.808 177.584 -0.011 0.000 1.181 40 A CA 1.505 53.587 52.037 0.075 0.000 0.623 40 A CB -0.621 18.385 19.000 0.011 0.000 0.818 40 A HN 0.172 nan 8.150 nan 0.000 0.443 41 V N 0.258 120.069 119.914 -0.172 0.000 2.287 41 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 41 V C 2.769 178.806 176.094 -0.095 0.000 1.053 41 V CA 2.137 64.306 62.300 -0.219 0.000 1.027 41 V CB -0.767 30.882 31.823 -0.290 0.000 0.646 41 V HN 0.469 nan 8.190 nan 0.000 0.447 42 R N -1.102 119.361 120.500 -0.061 0.000 2.081 42 R HA -0.179 4.160 4.340 -0.000 0.000 0.235 42 R C 2.196 178.479 176.300 -0.029 0.000 1.131 42 R CA 1.960 58.036 56.100 -0.041 0.000 0.960 42 R CB -0.872 29.419 30.300 -0.015 0.000 0.856 42 R HN 0.663 nan 8.270 nan 0.000 0.436 43 Y N 1.353 121.588 120.300 -0.108 0.000 2.145 43 Y HA -0.154 4.396 4.550 -0.000 0.000 0.286 43 Y C 2.231 177.996 175.900 -0.225 0.000 1.145 43 Y CA 1.475 59.452 58.100 -0.204 0.000 1.148 43 Y CB -0.403 37.952 38.460 -0.176 0.000 0.981 43 Y HN -0.095 nan 8.280 nan 0.000 0.507 44 I N 0.299 120.809 120.570 -0.101 0.000 2.226 44 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 44 I C 2.567 178.528 176.117 -0.258 0.000 1.100 44 I CA 1.907 63.058 61.300 -0.248 0.000 1.374 44 I CB -0.531 37.435 38.000 -0.057 0.000 1.057 44 I HN 0.359 nan 8.210 nan 0.000 0.413 45 E N 0.676 120.822 120.200 -0.089 0.000 2.058 45 E HA -0.287 4.063 4.350 -0.000 0.000 0.194 45 E C 2.218 178.745 176.600 -0.122 0.000 0.997 45 E CA 1.348 57.741 56.400 -0.013 0.000 0.801 45 E CB 0.061 29.740 29.700 -0.035 0.000 0.746 45 E HN 0.407 nan 8.360 nan 0.000 0.450 46 Q N -0.087 119.570 119.800 -0.238 0.000 2.124 46 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 46 Q C 2.156 177.890 176.000 -0.444 0.000 0.977 46 Q CA 1.165 56.790 55.803 -0.297 0.000 0.850 46 Q CB -0.219 28.334 28.738 -0.309 0.000 0.901 46 Q HN 0.385 nan 8.270 nan 0.000 0.429 47 Q N -0.507 118.896 119.800 -0.662 0.000 2.079 47 Q HA -0.064 4.276 4.340 -0.000 0.000 0.200 47 Q C 2.048 177.387 176.000 -1.102 0.000 0.974 47 Q CA 0.893 56.149 55.803 -0.911 0.000 0.840 47 Q CB -0.501 27.668 28.738 -0.949 0.000 0.898 47 Q HN 0.333 nan 8.270 nan 0.000 0.430 48 F N 1.551 121.131 119.950 -0.616 0.000 2.134 48 F HA -0.128 4.399 4.527 -0.000 0.000 0.299 48 F C 2.235 177.919 175.800 -0.194 0.000 1.097 48 F CA 1.066 58.837 58.000 -0.382 0.000 1.264 48 F CB -0.308 38.556 39.000 -0.226 0.000 1.001 48 F HN 0.056 nan 8.300 nan 0.000 0.479 49 K N -0.024 120.362 120.400 -0.023 0.000 2.057 49 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 49 K C 2.273 178.831 176.600 -0.070 0.000 1.049 49 K CA 1.661 57.939 56.287 -0.015 0.000 0.931 49 K CB -0.485 31.977 32.500 -0.062 0.000 0.714 49 K HN 0.315 nan 8.250 nan 0.000 0.440 50 S N 0.393 115.949 115.700 -0.240 0.000 2.419 50 S HA -0.158 4.312 4.470 -0.000 0.000 0.233 50 S C 1.563 176.150 174.600 -0.021 0.000 1.016 50 S CA 0.875 58.956 58.200 -0.197 0.000 0.974 50 S CB -0.394 62.616 63.200 -0.316 0.000 0.786 50 S HN 0.250 nan 8.310 nan 0.000 0.492 51 Y N 1.757 122.098 120.300 0.069 0.000 2.490 51 Y HA 0.447 4.997 4.550 -0.000 0.000 0.281 51 Y C 2.060 177.963 175.900 0.005 0.000 1.174 51 Y CA -0.948 57.203 58.100 0.085 0.000 1.295 51 Y CB -0.827 37.779 38.460 0.243 0.000 1.062 51 Y HN 0.432 nan 8.280 nan 0.000 0.522 52 G N -1.571 107.301 108.800 0.121 0.000 2.159 52 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.227 52 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.227 52 G C -0.229 174.644 174.900 -0.046 0.000 0.986 52 G CA -0.549 44.548 45.100 -0.004 0.000 0.651 52 G HN 0.300 nan 8.290 nan 0.000 0.523 53 Y N 0.350 120.704 120.300 0.091 0.000 2.304 53 Y HA 0.560 5.110 4.550 -0.000 0.000 0.327 53 Y C 0.982 176.926 175.900 0.072 0.000 1.209 53 Y CA -0.186 57.963 58.100 0.083 0.000 1.299 53 Y CB 0.700 39.196 38.460 0.060 0.000 1.249 53 Y HN 0.333 nan 8.280 nan 0.000 0.519 54 H N 1.594 120.763 119.070 0.164 0.000 2.580 54 H HA 0.555 5.111 4.556 -0.000 0.000 0.322 54 H C -1.245 174.134 175.328 0.084 0.000 1.082 54 H CA -0.440 55.664 56.048 0.093 0.000 1.383 54 H CB 0.537 30.340 29.762 0.068 0.000 1.450 54 H HN 0.386 nan 8.280 nan 0.000 0.505 55 V N 5.368 125.056 119.914 -0.376 0.000 2.628 55 V HA 0.335 4.455 4.120 -0.000 0.000 0.306 55 V C -0.253 175.683 176.094 -0.263 0.000 1.045 55 V CA -0.892 61.266 62.300 -0.235 0.000 0.905 55 V CB 1.839 33.599 31.823 -0.105 0.000 0.997 55 V HN 0.795 nan 8.190 nan 0.000 0.436 56 E N 1.945 122.086 120.200 -0.100 0.000 2.238 56 E HA 0.589 4.938 4.350 -0.000 0.000 0.267 56 E C -1.563 175.069 176.600 0.053 0.000 0.887 56 E CA -0.544 55.854 56.400 -0.005 0.000 0.769 56 E CB 2.713 32.461 29.700 0.080 0.000 1.187 56 E HN 0.384 nan 8.360 nan 0.000 0.416 57 V N 2.897 122.865 119.914 0.090 0.000 2.350 57 V HA 0.207 4.326 4.120 -0.000 0.000 0.285 57 V C -0.018 176.210 176.094 0.225 0.000 1.014 57 V CA -0.677 61.713 62.300 0.150 0.000 0.831 57 V CB 1.522 33.408 31.823 0.104 0.000 1.000 57 V HN 0.523 nan 8.190 nan 0.000 0.433 58 Q N 7.949 127.927 119.800 0.295 0.000 2.331 58 Q HA 0.412 4.752 4.340 -0.000 0.000 0.257 58 Q C -2.502 173.721 176.000 0.370 0.000 0.957 58 Q CA -1.717 54.283 55.803 0.328 0.000 0.923 58 Q CB 2.165 31.131 28.738 0.381 0.000 1.212 58 Q HN 0.477 nan 8.270 nan 0.000 0.443 59 P HA 0.370 nan 4.420 nan 0.000 0.282 59 P C -1.248 176.153 177.300 0.169 0.000 1.259 59 P CA -0.336 62.785 63.100 0.036 0.000 0.826 59 P CB 0.678 32.394 31.700 0.027 0.000 1.064 60 F N -2.488 117.453 119.950 -0.014 0.000 2.688 60 F HA 0.477 5.003 4.527 -0.000 0.000 0.308 60 F C -1.227 174.636 175.800 0.106 0.000 1.117 60 F CA -1.070 56.969 58.000 0.065 0.000 0.976 60 F CB 0.934 39.997 39.000 0.105 0.000 1.291 60 F HN 0.176 nan 8.300 nan 0.000 0.439 61 Q N 2.329 122.306 119.800 0.294 0.000 2.215 61 Q HA 0.781 5.120 4.340 -0.000 0.000 0.256 61 Q C -1.453 174.803 176.000 0.427 0.000 0.972 61 Q CA -0.960 54.966 55.803 0.204 0.000 0.889 61 Q CB 2.954 31.739 28.738 0.078 0.000 1.281 61 Q HN 0.734 nan 8.270 nan 0.000 0.456 62 F N -2.635 117.410 119.950 0.157 0.000 2.719 62 F HA 0.388 4.915 4.527 -0.000 0.000 0.309 62 F C -1.306 174.590 175.800 0.160 0.000 1.138 62 F CA -1.186 56.924 58.000 0.182 0.000 0.943 62 F CB 1.123 40.280 39.000 0.262 0.000 1.304 62 F HN 0.330 nan 8.300 nan 0.000 0.445 63 E N 1.802 122.136 120.200 0.224 0.000 2.180 63 E HA 0.455 4.804 4.350 -0.000 0.000 0.283 63 E C 0.197 177.000 176.600 0.339 0.000 1.061 63 E CA -0.379 56.127 56.400 0.177 0.000 0.861 63 E CB 1.309 31.173 29.700 0.273 0.000 1.056 63 E HN 0.907 nan 8.360 nan 0.000 0.407 64 G N 2.246 111.075 108.800 0.048 0.000 2.528 64 G HA2 0.280 4.239 3.960 -0.000 0.000 0.289 64 G HA3 0.280 4.239 3.960 -0.000 0.000 0.289 64 G C -1.439 173.560 174.900 0.165 0.000 1.192 64 G CA -0.254 44.947 45.100 0.168 0.000 0.921 64 G HN 0.470 nan 8.290 nan 0.000 0.512 65 Y N 0.422 120.653 120.300 -0.116 0.000 2.373 65 Y HA 0.506 5.056 4.550 -0.000 0.000 0.336 65 Y C 0.051 175.862 175.900 -0.147 0.000 0.979 65 Y CA -1.047 56.890 58.100 -0.272 0.000 1.080 65 Y CB 1.929 39.931 38.460 -0.763 0.000 1.190 65 Y HN 0.656 nan 8.280 nan 0.000 0.446 66 T N 3.348 117.510 114.554 -0.653 0.000 2.753 66 T HA 0.765 5.115 4.350 -0.000 0.000 0.297 66 T C 0.295 174.505 174.700 -0.818 0.000 0.981 66 T CA -0.561 61.228 62.100 -0.518 0.000 0.956 66 T CB 0.764 69.456 68.868 -0.295 0.000 0.936 66 T HN 0.952 nan 8.240 nan 0.000 0.463 67 A N 6.156 128.650 122.820 -0.543 0.000 2.587 67 A HA 0.390 4.710 4.320 -0.000 0.000 0.233 67 A C -1.487 175.946 177.584 -0.251 0.000 1.049 67 A CA -0.964 50.866 52.037 -0.345 0.000 0.754 67 A CB -0.547 18.391 19.000 -0.103 0.000 0.977 67 A HN 0.773 nan 8.150 nan 0.000 0.509 68 P HA 0.068 nan 4.420 nan 0.000 0.271 68 P C 0.652 177.924 177.300 -0.046 0.000 1.218 68 P CA 0.339 63.402 63.100 -0.062 0.000 0.780 68 P CB 1.072 32.785 31.700 0.023 0.000 0.901 69 S N 0.796 116.472 115.700 -0.040 0.000 2.446 69 S HA -0.038 4.432 4.470 -0.000 0.000 0.225 69 S C 0.627 175.219 174.600 -0.015 0.000 1.016 69 S CA 0.280 58.462 58.200 -0.030 0.000 0.943 69 S CB -0.190 62.992 63.200 -0.031 0.000 0.786 69 S HN 0.656 nan 8.310 nan 0.000 0.508 70 E N 0.720 120.917 120.200 -0.006 0.000 2.216 70 E HA 0.492 4.842 4.350 -0.000 0.000 0.260 70 E C -1.853 174.754 176.600 0.012 0.000 0.880 70 E CA -0.647 55.754 56.400 0.002 0.000 0.765 70 E CB 1.945 31.647 29.700 0.004 0.000 1.174 70 E HN 0.112 nan 8.360 nan 0.000 0.417 71 V N 4.597 124.518 119.914 0.011 0.000 2.276 71 V HA 0.244 4.364 4.120 -0.000 0.000 0.268 71 V C -0.425 175.678 176.094 0.014 0.000 1.032 71 V CA -0.576 61.735 62.300 0.018 0.000 0.810 71 V CB 1.217 33.049 31.823 0.015 0.000 1.060 71 V HN 0.668 nan 8.190 nan 0.000 0.446 72 T N 5.799 120.363 114.554 0.017 0.000 2.743 72 T HA 0.608 4.958 4.350 -0.000 0.000 0.292 72 T C -0.573 174.137 174.700 0.017 0.000 0.972 72 T CA -0.174 61.934 62.100 0.014 0.000 0.967 72 T CB 1.316 70.191 68.868 0.012 0.000 0.926 72 T HN 0.319 nan 8.240 nan 0.000 0.459 73 L N 4.385 125.616 121.223 0.014 0.000 2.349 73 L HA 0.636 4.976 4.340 -0.000 0.000 0.278 73 L C -0.866 176.010 176.870 0.009 0.000 0.996 73 L CA -0.319 54.531 54.840 0.016 0.000 0.825 73 L CB 0.993 43.063 42.059 0.018 0.000 1.243 73 L HN 0.459 nan 8.230 nan 0.000 0.412 74 K N 6.181 126.586 120.400 0.009 0.000 2.427 74 K HA 0.561 4.880 4.320 -0.000 0.000 0.252 74 K C -1.307 175.294 176.600 0.002 0.000 0.931 74 K CA -0.831 55.458 56.287 0.004 0.000 0.793 74 K CB 2.456 34.958 32.500 0.004 0.000 1.211 74 K HN 0.392 nan 8.250 nan 0.000 0.426 75 I N 3.433 124.001 120.570 -0.004 0.000 2.313 75 I HA 0.156 4.326 4.170 -0.000 0.000 0.286 75 I C 1.209 177.322 176.117 -0.007 0.000 1.091 75 I CA 0.585 61.880 61.300 -0.008 0.000 1.216 75 I CB -0.404 37.586 38.000 -0.017 0.000 1.434 75 I HN 1.097 nan 8.210 nan 0.000 0.487 76 G N 5.663 114.461 108.800 -0.003 0.000 5.229 76 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.250 76 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.250 76 G C 0.910 175.809 174.900 -0.002 0.000 1.380 76 G CA 1.098 46.197 45.100 -0.003 0.000 0.933 76 G HN 0.506 nan 8.290 nan 0.000 0.731 77 T N -0.117 114.435 114.554 -0.004 0.000 3.154 77 T HA 0.346 4.696 4.350 -0.000 0.000 0.258 77 T C 0.290 174.988 174.700 -0.003 0.000 0.899 77 T CA 1.213 63.311 62.100 -0.003 0.000 0.908 77 T CB 0.245 69.111 68.868 -0.003 0.000 1.260 77 T HN 0.405 nan 8.240 nan 0.000 0.521 78 E N 2.734 122.930 120.200 -0.006 0.000 2.360 78 E HA 0.306 4.655 4.350 -0.000 0.000 0.269 78 E C -0.348 176.249 176.600 -0.005 0.000 1.022 78 E CA 0.080 56.477 56.400 -0.006 0.000 0.887 78 E CB 0.813 30.508 29.700 -0.010 0.000 0.990 78 E HN 0.277 nan 8.360 nan 0.000 0.426 79 K N 3.001 123.399 120.400 -0.004 0.000 2.258 79 K HA 0.145 4.464 4.320 -0.000 0.000 0.284 79 K C -0.461 176.137 176.600 -0.004 0.000 1.051 79 K CA -0.582 55.704 56.287 -0.002 0.000 0.923 79 K CB 0.476 32.975 32.500 -0.001 0.000 1.046 79 K HN 0.182 nan 8.250 nan 0.000 0.474 80 K N 2.449 122.848 120.400 -0.003 0.000 2.185 80 K HA 0.179 4.498 4.320 -0.000 0.000 0.240 80 K C -0.757 175.842 176.600 -0.002 0.000 0.983 80 K CA -0.616 55.668 56.287 -0.004 0.000 0.873 80 K CB 1.629 34.126 32.500 -0.005 0.000 1.118 80 K HN 0.673 nan 8.250 nan 0.000 0.441 81 E N 0.473 120.670 120.200 -0.004 0.000 2.115 81 E HA 0.444 4.793 4.350 -0.000 0.000 0.282 81 E C -0.759 175.836 176.600 -0.008 0.000 0.987 81 E CA -0.498 55.899 56.400 -0.006 0.000 0.797 81 E CB 0.828 30.524 29.700 -0.007 0.000 1.086 81 E HN 0.686 nan 8.360 nan 0.000 0.397 82 G N 3.639 112.433 108.800 -0.011 0.000 2.696 82 G HA2 0.348 4.308 3.960 -0.000 0.000 0.295 82 G HA3 0.348 4.308 3.960 -0.000 0.000 0.295 82 G C -1.308 173.570 174.900 -0.037 0.000 1.398 82 G CA -0.636 44.451 45.100 -0.020 0.000 0.920 82 G HN 0.521 nan 8.290 nan 0.000 0.492 83 E N 0.273 120.422 120.200 -0.085 0.000 2.191 83 E HA 0.531 4.881 4.350 -0.000 0.000 0.263 83 E C -0.008 176.502 176.600 -0.149 0.000 0.881 83 E CA -0.787 55.548 56.400 -0.108 0.000 0.757 83 E CB 2.388 32.004 29.700 -0.140 0.000 1.147 83 E HN 0.705 nan 8.360 nan 0.000 0.414 84 A N 3.466 126.268 122.820 -0.030 0.000 2.477 84 A HA 0.256 4.575 4.320 -0.000 0.000 0.246 84 A C -0.468 177.139 177.584 0.040 0.000 1.078 84 A CA -0.073 52.007 52.037 0.071 0.000 0.770 84 A CB -0.153 18.927 19.000 0.133 0.000 1.011 84 A HN 0.467 nan 8.150 nan 0.000 0.494 85 F N 1.128 121.062 119.950 -0.028 0.000 2.450 85 F HA 0.282 4.809 4.527 -0.000 0.000 0.339 85 F C 1.820 177.569 175.800 -0.086 0.000 1.146 85 F CA 0.500 58.476 58.000 -0.040 0.000 1.267 85 F CB 0.487 39.438 39.000 -0.082 0.000 1.178 85 F HN 0.673 nan 8.300 nan 0.000 0.585 86 T N -0.592 114.004 114.554 0.070 0.000 2.928 86 T HA 0.104 4.454 4.350 -0.000 0.000 0.305 86 T C -0.386 173.964 174.700 -0.584 0.000 1.035 86 T CA -0.079 61.823 62.100 -0.330 0.000 1.145 86 T CB -0.267 68.553 68.868 -0.079 0.000 0.963 86 T HN 0.657 nan 8.240 nan 0.000 0.545 87 Y N -0.724 118.469 120.300 -1.845 0.000 4.879 87 Y HA -0.228 4.322 4.550 -0.000 0.000 0.247 87 Y C 1.195 176.879 175.900 -0.359 0.000 0.985 87 Y CA 0.596 58.136 58.100 -0.932 0.000 2.000 87 Y CB -2.136 36.158 38.460 -0.277 0.000 1.519 87 Y HN 0.951 nan 8.280 nan 0.000 0.613 88 S N 1.735 117.301 115.700 -0.222 0.000 2.528 88 S HA 0.447 4.917 4.470 -0.000 0.000 0.277 88 S C -1.842 172.873 174.600 0.192 0.000 1.297 88 S CA -1.149 57.081 58.200 0.050 0.000 1.052 88 S CB 1.017 64.285 63.200 0.113 0.000 0.917 88 S HN 0.029 nan 8.310 nan 0.000 0.492 89 P HA 0.223 nan 4.420 nan 0.000 0.274 89 P C -0.650 176.738 177.300 0.146 0.000 1.260 89 P CA -0.446 62.762 63.100 0.180 0.000 0.793 89 P CB 0.409 32.207 31.700 0.162 0.000 1.048 90 N N -1.019 117.752 118.700 0.119 0.000 2.493 90 N HA 0.527 5.267 4.740 -0.000 0.000 0.275 90 N C -0.658 174.895 175.510 0.073 0.000 1.186 90 N CA -0.214 52.889 53.050 0.089 0.000 0.978 90 N CB 0.571 39.100 38.487 0.069 0.000 1.184 90 N HN 0.442 nan 8.380 nan 0.000 0.487 91 S N -0.550 115.186 115.700 0.059 0.000 2.567 91 S HA 0.423 4.892 4.470 -0.000 0.000 0.270 91 S C -2.001 172.623 174.600 0.039 0.000 1.152 91 S CA -1.034 57.195 58.200 0.049 0.000 0.835 91 S CB 1.755 64.986 63.200 0.052 0.000 1.115 91 S HN 0.499 nan 8.310 nan 0.000 0.459 92 D N 0.712 121.131 120.400 0.033 0.000 2.968 92 D HA 0.430 5.069 4.640 -0.000 0.000 0.301 92 D C -1.143 175.171 176.300 0.024 0.000 1.226 92 D CA -0.166 53.850 54.000 0.026 0.000 0.746 92 D CB 1.500 42.313 40.800 0.023 0.000 1.278 92 D HN 0.523 nan 8.370 nan 0.000 0.544 93 V N 0.999 120.929 119.914 0.026 0.000 2.628 93 V HA 0.828 4.948 4.120 -0.000 0.000 0.306 93 V C -0.825 175.282 176.094 0.021 0.000 1.045 93 V CA -0.312 62.002 62.300 0.023 0.000 0.905 93 V CB 1.990 33.829 31.823 0.026 0.000 0.997 93 V HN 0.428 nan 8.190 nan 0.000 0.436 94 T N 3.574 118.139 114.554 0.018 0.000 2.965 94 T HA 0.911 5.261 4.350 -0.000 0.000 0.306 94 T C -0.554 174.155 174.700 0.015 0.000 0.991 94 T CA 0.122 62.231 62.100 0.016 0.000 1.001 94 T CB 1.201 70.077 68.868 0.013 0.000 0.984 94 T HN 1.568 nan 8.240 nan 0.000 0.446 95 A N 2.323 125.153 122.820 0.016 0.000 2.515 95 A HA 0.799 5.118 4.320 -0.000 0.000 0.299 95 A C -0.706 176.887 177.584 0.016 0.000 1.179 95 A CA -1.091 50.955 52.037 0.015 0.000 0.656 95 A CB 0.971 19.981 19.000 0.017 0.000 1.306 95 A HN 0.956 nan 8.150 nan 0.000 0.459 96 E N -0.047 120.162 120.200 0.016 0.000 2.413 96 E HA 0.284 4.633 4.350 -0.000 0.000 0.263 96 E C -1.060 175.553 176.600 0.023 0.000 1.015 96 E CA -0.307 56.103 56.400 0.017 0.000 0.916 96 E CB 0.485 30.195 29.700 0.017 0.000 0.947 96 E HN 0.528 nan 8.360 nan 0.000 0.440 97 L N 5.462 126.699 121.223 0.024 0.000 2.276 97 L HA 0.314 4.654 4.340 -0.000 0.000 0.286 97 L C -1.267 175.632 176.870 0.049 0.000 1.061 97 L CA -0.404 54.457 54.840 0.034 0.000 0.807 97 L CB 1.475 43.550 42.059 0.026 0.000 1.177 97 L HN 0.372 nan 8.230 nan 0.000 0.429 98 V N 5.558 125.510 119.914 0.064 0.000 2.487 98 V HA 0.242 4.362 4.120 -0.000 0.000 0.298 98 V C -0.957 175.216 176.094 0.131 0.000 1.028 98 V CA -0.769 61.580 62.300 0.082 0.000 0.860 98 V CB 1.312 33.165 31.823 0.050 0.000 0.991 98 V HN 0.607 nan 8.190 nan 0.000 0.427 99 Y N 5.884 126.197 120.300 0.021 0.000 2.393 99 Y HA 0.450 4.999 4.550 -0.000 0.000 0.338 99 Y C 0.643 176.569 175.900 0.044 0.000 1.029 99 Y CA -0.536 57.587 58.100 0.039 0.000 1.239 99 Y CB 1.420 39.898 38.460 0.032 0.000 1.170 99 Y HN 0.458 nan 8.280 nan 0.000 0.515 100 V N 4.722 124.404 119.914 -0.386 0.000 2.854 100 V HA 0.583 4.703 4.120 -0.000 0.000 0.366 100 V C 0.955 176.745 176.094 -0.506 0.000 1.322 100 V CA -0.018 62.053 62.300 -0.381 0.000 1.243 100 V CB -0.510 31.221 31.823 -0.152 0.000 1.337 100 V HN 1.221 nan 8.190 nan 0.000 0.585 101 G N 2.017 110.170 108.800 -1.078 0.000 2.651 101 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.315 101 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.315 101 G C 0.610 175.395 174.900 -0.192 0.000 1.258 101 G CA 0.888 45.644 45.100 -0.575 0.000 1.002 101 G HN 0.605 nan 8.290 nan 0.000 0.551 102 L N 2.152 123.307 121.223 -0.113 0.000 2.492 102 L HA 0.367 4.707 4.340 -0.000 0.000 0.223 102 L C 2.214 179.048 176.870 -0.061 0.000 1.132 102 L CA 0.898 55.700 54.840 -0.064 0.000 0.850 102 L CB -0.436 41.599 42.059 -0.040 0.000 0.966 102 L HN 1.902 nan 8.230 nan 0.000 0.454 103 G N 1.156 109.906 108.800 -0.083 0.000 2.182 103 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.248 103 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.248 103 G C 0.406 175.280 174.900 -0.043 0.000 1.042 103 G CA 0.347 45.409 45.100 -0.063 0.000 0.775 103 G HN 0.401 nan 8.290 nan 0.000 0.501 104 T N -3.607 110.920 114.554 -0.045 0.000 2.726 104 T HA 0.499 4.849 4.350 -0.000 0.000 0.294 104 T C 1.610 176.293 174.700 -0.029 0.000 1.013 104 T CA 0.970 63.051 62.100 -0.032 0.000 0.996 104 T CB 1.366 70.216 68.868 -0.031 0.000 1.016 104 T HN 0.713 nan 8.240 nan 0.000 0.529 105 T N -0.653 113.888 114.554 -0.022 0.000 2.929 105 T HA -0.007 4.342 4.350 -0.000 0.000 0.271 105 T C 1.854 176.542 174.700 -0.021 0.000 1.085 105 T CA 1.420 63.509 62.100 -0.019 0.000 1.125 105 T CB -0.987 67.872 68.868 -0.016 0.000 0.874 105 T HN 0.755 nan 8.240 nan 0.000 0.494 106 A N 0.596 123.402 122.820 -0.024 0.000 1.956 106 A HA 0.156 4.476 4.320 -0.000 0.000 0.212 106 A C 2.056 179.620 177.584 -0.032 0.000 1.188 106 A CA 1.010 53.033 52.037 -0.024 0.000 0.675 106 A CB -0.283 18.705 19.000 -0.021 0.000 0.845 106 A HN 0.446 nan 8.150 nan 0.000 0.455 107 D N 0.311 120.685 120.400 -0.044 0.000 2.123 107 D HA -0.141 4.498 4.640 -0.000 0.000 0.196 107 D C 2.063 178.324 176.300 -0.064 0.000 0.992 107 D CA 2.066 56.026 54.000 -0.066 0.000 0.833 107 D CB -0.414 40.331 40.800 -0.092 0.000 0.954 107 D HN 0.463 nan 8.370 nan 0.000 0.455 108 V N -1.852 118.032 119.914 -0.050 0.000 3.235 108 V HA 0.264 4.384 4.120 -0.000 0.000 0.259 108 V C 2.087 178.166 176.094 -0.025 0.000 1.133 108 V CA 0.857 63.134 62.300 -0.039 0.000 1.128 108 V CB -0.410 31.395 31.823 -0.030 0.000 0.757 108 V HN 0.084 nan 8.190 nan 0.000 0.469 109 A N 2.017 124.823 122.820 -0.023 0.000 1.835 109 A HA 0.082 4.402 4.320 -0.000 0.000 0.215 109 A C 2.090 179.666 177.584 -0.014 0.000 1.199 109 A CA 1.710 53.738 52.037 -0.016 0.000 0.615 109 A CB -1.539 17.452 19.000 -0.015 0.000 0.838 109 A HN 0.860 nan 8.150 nan 0.000 0.444 110 G N -0.211 108.580 108.800 -0.015 0.000 3.375 110 G HA2 0.364 4.324 3.960 -0.000 0.000 0.247 110 G HA3 0.364 4.324 3.960 -0.000 0.000 0.247 110 G C 0.027 174.922 174.900 -0.009 0.000 1.343 110 G CA -0.071 45.022 45.100 -0.011 0.000 1.368 110 G HN 0.220 nan 8.290 nan 0.000 0.549 111 K N 0.687 121.081 120.400 -0.010 0.000 2.535 111 K HA 0.162 4.482 4.320 -0.000 0.000 0.251 111 K C -1.702 174.896 176.600 -0.002 0.000 0.942 111 K CA -0.907 55.376 56.287 -0.006 0.000 0.798 111 K CB 2.361 34.852 32.500 -0.015 0.000 1.267 111 K HN 0.123 nan 8.250 nan 0.000 0.434 112 D N 3.208 123.610 120.400 0.003 0.000 2.346 112 D HA 0.125 4.765 4.640 -0.000 0.000 0.260 112 D C 0.311 176.616 176.300 0.008 0.000 1.252 112 D CA 0.118 54.121 54.000 0.005 0.000 0.895 112 D CB 0.381 41.185 40.800 0.007 0.000 1.097 112 D HN 0.422 nan 8.370 nan 0.000 0.489 113 L N 3.131 124.358 121.223 0.007 0.000 2.966 113 L HA 0.195 4.535 4.340 -0.000 0.000 0.262 113 L C 0.928 177.805 176.870 0.011 0.000 1.165 113 L CA -0.475 54.370 54.840 0.009 0.000 0.978 113 L CB -0.085 41.978 42.059 0.006 0.000 1.337 113 L HN 0.414 nan 8.230 nan 0.000 0.563 114 N N 1.920 120.626 118.700 0.010 0.000 2.414 114 N HA -0.044 4.696 4.740 -0.000 0.000 0.268 114 N C 1.194 176.712 175.510 0.012 0.000 1.286 114 N CA 1.511 54.567 53.050 0.010 0.000 0.896 114 N CB 0.899 39.391 38.487 0.008 0.000 1.093 114 N HN 0.410 nan 8.380 nan 0.000 0.480 115 G N 2.564 111.372 108.800 0.014 0.000 2.162 115 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.260 115 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.260 115 G C 0.057 174.967 174.900 0.017 0.000 0.976 115 G CA 0.641 45.751 45.100 0.016 0.000 0.655 115 G HN 0.628 nan 8.290 nan 0.000 0.533 116 K N -0.691 119.719 120.400 0.018 0.000 2.245 116 K HA 0.779 5.099 4.320 -0.000 0.000 0.234 116 K C 0.139 176.752 176.600 0.023 0.000 1.021 116 K CA -1.011 55.288 56.287 0.020 0.000 0.898 116 K CB 1.481 33.993 32.500 0.020 0.000 1.163 116 K HN 0.139 nan 8.250 nan 0.000 0.459 117 I N 1.462 122.048 120.570 0.026 0.000 2.336 117 I HA 0.267 4.437 4.170 -0.000 0.000 0.292 117 I C -0.282 175.856 176.117 0.036 0.000 0.991 117 I CA -0.709 60.608 61.300 0.030 0.000 1.227 117 I CB 1.727 39.746 38.000 0.031 0.000 1.366 117 I HN 0.589 nan 8.210 nan 0.000 0.466 118 A N 7.496 130.336 122.820 0.034 0.000 2.309 118 A HA 0.589 4.908 4.320 -0.000 0.000 0.298 118 A C -0.654 176.972 177.584 0.070 0.000 1.165 118 A CA -0.463 51.599 52.037 0.041 0.000 0.821 118 A CB 0.808 19.819 19.000 0.017 0.000 1.102 118 A HN 0.759 nan 8.150 nan 0.000 0.500 119 L N 4.249 125.542 121.223 0.117 0.000 2.276 119 L HA 0.574 4.914 4.340 -0.000 0.000 0.286 119 L C -1.146 175.887 176.870 0.271 0.000 1.024 119 L CA -0.391 54.569 54.840 0.200 0.000 0.826 119 L CB 0.404 42.596 42.059 0.222 0.000 1.211 119 L HN 0.643 nan 8.230 nan 0.000 0.422 120 I N 3.952 124.675 120.570 0.255 0.000 2.646 120 I HA 0.345 4.515 4.170 -0.000 0.000 0.299 120 I C -0.451 175.725 176.117 0.097 0.000 1.036 120 I CA -0.663 60.733 61.300 0.161 0.000 1.074 120 I CB 2.276 40.283 38.000 0.011 0.000 1.258 120 I HN 0.562 nan 8.210 nan 0.000 0.430 121 Q N 5.056 124.787 119.800 -0.114 0.000 2.241 121 Q HA 0.364 4.704 4.340 -0.000 0.000 0.254 121 Q C -0.350 175.458 176.000 -0.321 0.000 0.917 121 Q CA -0.810 54.590 55.803 -0.672 0.000 0.919 121 Q CB 1.712 30.161 28.738 -0.481 0.000 1.237 121 Q HN 0.517 nan 8.270 nan 0.000 0.434 122 R N 2.089 122.397 120.500 -0.320 0.000 2.537 122 R HA 0.273 4.613 4.340 -0.000 0.000 0.280 122 R C -0.191 176.098 176.300 -0.019 0.000 1.058 122 R CA 0.880 56.957 56.100 -0.039 0.000 1.057 122 R CB 0.354 30.677 30.300 0.039 0.000 0.973 122 R HN 0.844 nan 8.270 nan 0.000 0.438 123 G N 2.431 111.259 108.800 0.046 0.000 3.226 123 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.175 123 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.175 123 G C 0.071 174.978 174.900 0.011 0.000 1.509 123 G CA 0.182 45.290 45.100 0.013 0.000 1.046 123 G HN 0.657 nan 8.290 nan 0.000 0.768 124 N N 0.486 119.184 118.700 -0.004 0.000 2.646 124 N HA 0.092 4.832 4.740 -0.000 0.000 0.214 124 N C 1.531 177.015 175.510 -0.042 0.000 1.042 124 N CA 0.482 53.517 53.050 -0.026 0.000 0.925 124 N CB -0.140 38.332 38.487 -0.025 0.000 1.383 124 N HN 0.616 nan 8.380 nan 0.000 0.439 125 I N 2.078 122.631 120.570 -0.028 0.000 3.045 125 I HA 0.107 4.276 4.170 -0.000 0.000 0.288 125 I C 0.681 176.767 176.117 -0.052 0.000 1.238 125 I CA -0.751 60.527 61.300 -0.036 0.000 1.396 125 I CB 0.410 38.399 38.000 -0.018 0.000 1.355 125 I HN 0.189 nan 8.210 nan 0.000 0.601 126 S N 4.085 119.736 115.700 -0.081 0.000 2.579 126 S HA 0.179 4.649 4.470 -0.000 0.000 0.275 126 S C 0.680 175.270 174.600 -0.016 0.000 1.345 126 S CA -0.409 57.703 58.200 -0.148 0.000 1.031 126 S CB 0.445 63.572 63.200 -0.121 0.000 0.892 126 S HN 0.652 nan 8.310 nan 0.000 0.529 127 F N 0.747 120.637 119.950 -0.100 0.000 2.250 127 F HA -0.106 4.421 4.527 -0.000 0.000 0.301 127 F C 2.737 178.356 175.800 -0.302 0.000 1.077 127 F CA 0.543 58.405 58.000 -0.230 0.000 1.348 127 F CB -0.490 38.359 39.000 -0.253 0.000 1.040 127 F HN 0.765 nan 8.300 nan 0.000 0.509 128 A N 0.271 123.074 122.820 -0.027 0.000 1.898 128 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 128 A C 1.908 179.553 177.584 0.101 0.000 1.181 128 A CA 1.791 53.808 52.037 -0.033 0.000 0.620 128 A CB -0.646 18.433 19.000 0.132 0.000 0.819 128 A HN 0.230 nan 8.150 nan 0.000 0.442 129 D N -0.019 120.416 120.400 0.059 0.000 2.117 129 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 129 D C 1.900 178.220 176.300 0.033 0.000 0.987 129 D CA 1.391 55.423 54.000 0.053 0.000 0.829 129 D CB -0.236 40.573 40.800 0.016 0.000 0.961 129 D HN 0.496 nan 8.370 nan 0.000 0.460 130 K N 0.580 120.981 120.400 0.000 0.000 2.009 130 K HA -0.095 4.225 4.320 -0.000 0.000 0.210 130 K C 2.304 178.879 176.600 -0.042 0.000 1.049 130 K CA 0.784 57.054 56.287 -0.028 0.000 0.929 130 K CB -0.238 32.234 32.500 -0.047 0.000 0.714 130 K HN -0.028 nan 8.250 nan 0.000 0.440 131 V N 1.367 121.226 119.914 -0.093 0.000 2.295 131 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 131 V C 2.449 178.595 176.094 0.087 0.000 1.049 131 V CA 1.855 64.104 62.300 -0.085 0.000 1.024 131 V CB -0.516 31.128 31.823 -0.298 0.000 0.648 131 V HN 0.312 nan 8.190 nan 0.000 0.447 132 R N 0.389 121.008 120.500 0.199 0.000 2.073 132 R HA -0.165 4.174 4.340 -0.000 0.000 0.234 132 R C 2.270 178.619 176.300 0.081 0.000 1.134 132 R CA 1.954 58.176 56.100 0.205 0.000 0.952 132 R CB -0.297 30.127 30.300 0.206 0.000 0.850 132 R HN 0.543 nan 8.270 nan 0.000 0.433 133 N N 0.439 119.168 118.700 0.048 0.000 2.120 133 N HA -0.160 4.580 4.740 -0.000 0.000 0.188 133 N C 1.595 177.111 175.510 0.011 0.000 1.024 133 N CA 1.567 54.627 53.050 0.017 0.000 0.852 133 N CB -0.336 38.153 38.487 0.002 0.000 1.003 133 N HN 0.342 nan 8.380 nan 0.000 0.424 134 A N 1.035 123.861 122.820 0.010 0.000 1.898 134 A HA 0.108 4.428 4.320 -0.000 0.000 0.216 134 A C 2.355 179.949 177.584 0.017 0.000 1.181 134 A CA 1.683 53.723 52.037 0.005 0.000 0.620 134 A CB -0.719 18.278 19.000 -0.005 0.000 0.819 134 A HN 0.303 nan 8.150 nan 0.000 0.442 135 A N -0.027 122.814 122.820 0.036 0.000 2.019 135 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 135 A C 2.020 179.620 177.584 0.027 0.000 1.164 135 A CA 1.690 53.752 52.037 0.043 0.000 0.644 135 A CB -0.401 18.647 19.000 0.080 0.000 0.805 135 A HN 0.563 nan 8.150 nan 0.000 0.449 136 K N -0.579 119.833 120.400 0.020 0.000 2.211 136 K HA -0.075 4.245 4.320 -0.000 0.000 0.203 136 K C 1.301 177.904 176.600 0.005 0.000 1.050 136 K CA 0.988 57.280 56.287 0.008 0.000 0.945 136 K CB 0.009 32.511 32.500 0.003 0.000 0.732 136 K HN 0.377 nan 8.250 nan 0.000 0.451 137 Q N -0.631 119.172 119.800 0.006 0.000 2.320 137 Q HA 0.094 4.433 4.340 -0.000 0.000 0.201 137 Q C 0.992 176.996 176.000 0.006 0.000 0.910 137 Q CA 0.640 56.445 55.803 0.003 0.000 0.946 137 Q CB 1.345 30.083 28.738 -0.000 0.000 1.062 137 Q HN 0.546 nan 8.270 nan 0.000 0.503 138 G N 0.376 109.183 108.800 0.010 0.000 2.195 138 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.224 138 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.224 138 G C 0.425 175.335 174.900 0.017 0.000 0.990 138 G CA -0.114 44.994 45.100 0.013 0.000 0.639 138 G HN 0.562 nan 8.290 nan 0.000 0.514 139 A N 0.433 123.263 122.820 0.017 0.000 2.584 139 A HA 0.482 4.802 4.320 -0.000 0.000 0.239 139 A C 1.461 179.061 177.584 0.026 0.000 1.043 139 A CA 1.292 53.341 52.037 0.020 0.000 0.756 139 A CB 0.338 19.349 19.000 0.017 0.000 0.963 139 A HN 0.219 nan 8.150 nan 0.000 0.511 140 K N 0.670 121.085 120.400 0.026 0.000 2.361 140 K HA 0.327 4.647 4.320 -0.000 0.000 0.196 140 K C 0.534 177.155 176.600 0.034 0.000 1.039 140 K CA 1.264 57.569 56.287 0.030 0.000 1.001 140 K CB 0.048 32.564 32.500 0.027 0.000 0.795 140 K HN 0.929 nan 8.250 nan 0.000 0.495 141 A N 0.013 122.851 122.820 0.030 0.000 2.601 141 A HA 0.600 4.920 4.320 -0.000 0.000 0.291 141 A C -1.473 176.122 177.584 0.019 0.000 1.075 141 A CA -0.642 51.413 52.037 0.029 0.000 0.671 141 A CB 1.537 20.558 19.000 0.035 0.000 1.277 141 A HN -0.148 nan 8.150 nan 0.000 0.417 142 V N 1.077 120.995 119.914 0.008 0.000 2.709 142 V HA 0.537 4.657 4.120 -0.000 0.000 0.308 142 V C -0.816 175.288 176.094 0.018 0.000 1.062 142 V CA -0.218 62.078 62.300 -0.007 0.000 0.901 142 V CB 1.740 33.521 31.823 -0.071 0.000 1.003 142 V HN 0.700 nan 8.190 nan 0.000 0.425 143 I N 5.446 126.046 120.570 0.050 0.000 2.382 143 I HA 0.470 4.640 4.170 -0.000 0.000 0.286 143 I C -0.926 175.272 176.117 0.134 0.000 1.002 143 I CA -0.462 60.897 61.300 0.098 0.000 1.135 143 I CB 1.603 39.659 38.000 0.093 0.000 1.288 143 I HN 0.329 nan 8.210 nan 0.000 0.448 144 I N 7.127 127.787 120.570 0.151 0.000 2.377 144 I HA 0.280 4.449 4.170 -0.000 0.000 0.293 144 I C -0.500 175.737 176.117 0.199 0.000 0.987 144 I CA -0.779 60.596 61.300 0.125 0.000 1.185 144 I CB 1.288 39.279 38.000 -0.015 0.000 1.341 144 I HN 0.409 nan 8.210 nan 0.000 0.455 145 Y N 4.018 124.339 120.300 0.034 0.000 2.387 145 Y HA 0.526 5.075 4.550 -0.000 0.000 0.336 145 Y C 0.215 176.131 175.900 0.026 0.000 1.067 145 Y CA -1.343 56.771 58.100 0.024 0.000 1.114 145 Y CB 0.363 38.841 38.460 0.030 0.000 1.208 145 Y HN 0.494 nan 8.280 nan 0.000 0.458 146 N N 1.633 120.386 118.700 0.089 0.000 2.297 146 N HA -0.015 4.724 4.740 -0.000 0.000 0.232 146 N C 0.203 175.730 175.510 0.029 0.000 1.311 146 N CA 0.223 53.292 53.050 0.032 0.000 0.897 146 N CB 0.534 39.049 38.487 0.047 0.000 1.137 146 N HN 0.870 nan 8.380 nan 0.000 0.449 147 N N -0.650 118.067 118.700 0.027 0.000 2.325 147 N HA 0.007 4.747 4.740 -0.000 0.000 0.182 147 N C 0.052 175.589 175.510 0.044 0.000 1.088 147 N CA 0.325 53.392 53.050 0.028 0.000 0.879 147 N CB 0.519 39.019 38.487 0.022 0.000 0.983 147 N HN 0.676 nan 8.380 nan 0.000 0.471 148 T N -2.871 111.712 114.554 0.048 0.000 2.669 148 T HA 0.335 4.685 4.350 -0.000 0.000 0.283 148 T C -0.529 174.196 174.700 0.042 0.000 1.019 148 T CA -0.776 61.349 62.100 0.041 0.000 1.039 148 T CB 1.908 70.796 68.868 0.035 0.000 1.374 148 T HN -0.201 nan 8.240 nan 0.000 0.523 149 D N -0.935 119.485 120.400 0.033 0.000 2.398 149 D HA 0.515 5.154 4.640 -0.000 0.000 0.247 149 D C 0.829 177.145 176.300 0.027 0.000 1.227 149 D CA 1.607 55.624 54.000 0.029 0.000 0.980 149 D CB 0.037 40.851 40.800 0.023 0.000 1.106 149 D HN 1.233 nan 8.370 nan 0.000 0.493 150 G N 0.489 109.302 108.800 0.022 0.000 2.755 150 G HA2 -0.150 3.809 3.960 -0.000 0.000 0.686 150 G HA3 -0.150 3.809 3.960 -0.000 0.000 0.686 150 G C -0.742 174.165 174.900 0.012 0.000 1.427 150 G CA -0.314 44.797 45.100 0.019 0.000 0.873 150 G HN 0.585 nan 8.290 nan 0.000 0.580 151 K N -0.542 119.859 120.400 0.001 0.000 2.455 151 K HA 0.379 4.698 4.320 -0.000 0.000 0.269 151 K C 0.860 177.438 176.600 -0.036 0.000 0.972 151 K CA -0.133 56.141 56.287 -0.022 0.000 0.938 151 K CB 0.458 32.940 32.500 -0.031 0.000 0.931 151 K HN 0.669 nan 8.250 nan 0.000 0.507 152 L N 2.831 124.002 121.223 -0.086 0.000 2.272 152 L HA 0.254 4.594 4.340 -0.000 0.000 0.284 152 L C -0.965 175.746 176.870 -0.264 0.000 1.045 152 L CA -0.330 54.429 54.840 -0.135 0.000 0.842 152 L CB 0.288 42.252 42.059 -0.158 0.000 1.224 152 L HN 0.540 nan 8.230 nan 0.000 0.430 153 N N 4.360 122.972 118.700 -0.147 0.000 2.469 153 N HA 0.541 5.281 4.740 -0.000 0.000 0.253 153 N C -0.224 175.271 175.510 -0.024 0.000 0.970 153 N CA -0.189 52.768 53.050 -0.155 0.000 0.940 153 N CB 2.119 40.579 38.487 -0.044 0.000 1.128 153 N HN 0.744 nan 8.380 nan 0.000 0.503 154 G N -0.541 108.201 108.800 -0.097 0.000 2.949 154 G HA2 0.593 4.552 3.960 -0.000 0.000 0.285 154 G HA3 0.593 4.552 3.960 -0.000 0.000 0.285 154 G C -1.266 173.888 174.900 0.424 0.000 1.395 154 G CA -0.316 45.032 45.100 0.413 0.000 0.901 154 G HN 0.284 nan 8.290 nan 0.000 0.519 155 T N -0.491 114.382 114.554 0.531 0.000 2.912 155 T HA 0.428 4.777 4.350 -0.000 0.000 0.299 155 T C 0.545 175.419 174.700 0.290 0.000 1.052 155 T CA -0.616 61.698 62.100 0.358 0.000 0.996 155 T CB 1.266 70.281 68.868 0.246 0.000 1.070 155 T HN 0.304 nan 8.240 nan 0.000 0.465 156 L N 3.796 125.115 121.223 0.160 0.000 2.645 156 L HA 0.288 4.628 4.340 -0.000 0.000 0.235 156 L C 2.046 178.925 176.870 0.015 0.000 1.150 156 L CA 0.535 55.340 54.840 -0.059 0.000 0.911 156 L CB -0.969 40.833 42.059 -0.429 0.000 1.077 156 L HN 1.141 nan 8.230 nan 0.000 0.438 157 G N 0.128 108.947 108.800 0.032 0.000 4.526 157 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 157 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 157 G C 0.433 175.149 174.900 -0.306 0.000 1.428 157 G CA -0.174 44.892 45.100 -0.057 0.000 0.928 157 G HN 0.652 nan 8.290 nan 0.000 0.639 158 G N -0.961 107.545 108.800 -0.490 0.000 2.649 158 G HA2 0.663 4.623 3.960 -0.000 0.000 0.290 158 G HA3 0.663 4.623 3.960 -0.000 0.000 0.290 158 G C -0.345 174.137 174.900 -0.698 0.000 1.426 158 G CA 0.789 45.248 45.100 -1.068 0.000 0.794 158 G HN 1.162 nan 8.290 nan 0.000 0.483 159 S N -0.076 115.326 115.700 -0.497 0.000 2.566 159 S HA 0.441 4.911 4.470 -0.000 0.000 0.280 159 S C -0.474 174.120 174.600 -0.010 0.000 1.343 159 S CA 0.481 58.736 58.200 0.092 0.000 1.036 159 S CB 0.938 64.272 63.200 0.223 0.000 0.866 159 S HN 0.724 nan 8.310 nan 0.000 0.526 160 D N -0.541 119.854 120.400 -0.008 0.000 2.400 160 D HA 0.262 4.901 4.640 -0.000 0.000 0.197 160 D C 0.122 176.273 176.300 -0.248 0.000 1.295 160 D CA -0.347 53.460 54.000 -0.322 0.000 0.878 160 D CB 0.328 40.554 40.800 -0.957 0.000 1.659 160 D HN 0.391 nan 8.370 nan 0.000 0.546 161 A N 2.284 125.023 122.820 -0.136 0.000 2.125 161 A HA -0.078 4.241 4.320 -0.000 0.000 0.219 161 A C 1.857 179.394 177.584 -0.079 0.000 1.156 161 A CA 1.786 53.791 52.037 -0.053 0.000 0.671 161 A CB -0.329 18.652 19.000 -0.031 0.000 0.794 161 A HN 0.609 nan 8.150 nan 0.000 0.459 162 S N -1.106 114.465 115.700 -0.214 0.000 2.515 162 S HA 0.133 4.603 4.470 -0.000 0.000 0.231 162 S C 0.395 174.964 174.600 -0.052 0.000 0.987 162 S CA -0.192 57.908 58.200 -0.167 0.000 0.936 162 S CB -0.514 62.542 63.200 -0.240 0.000 0.766 162 S HN 0.192 nan 8.310 nan 0.000 0.528 163 F N 2.376 122.326 119.950 -0.001 0.000 2.399 163 F HA 0.598 5.124 4.527 -0.000 0.000 0.313 163 F C 0.603 176.408 175.800 0.008 0.000 1.202 163 F CA -1.781 56.217 58.000 -0.004 0.000 1.192 163 F CB 0.790 39.791 39.000 0.001 0.000 1.256 163 F HN 0.090 nan 8.300 nan 0.000 0.558 164 V N -1.422 118.628 119.914 0.226 0.000 3.102 164 V HA 0.887 5.006 4.120 -0.000 0.000 0.312 164 V C -0.291 175.848 176.094 0.076 0.000 1.135 164 V CA -1.868 60.503 62.300 0.119 0.000 1.022 164 V CB 0.871 32.741 31.823 0.077 0.000 1.056 164 V HN 1.012 nan 8.190 nan 0.000 0.436 165 A N 1.179 124.041 122.820 0.071 0.000 2.587 165 A HA 0.584 4.904 4.320 -0.000 0.000 0.235 165 A C 0.515 178.116 177.584 0.028 0.000 1.044 165 A CA 0.684 52.759 52.037 0.063 0.000 0.754 165 A CB -0.578 18.463 19.000 0.070 0.000 0.968 165 A HN 2.479 nan 8.150 nan 0.000 0.509 166 A N 2.259 125.099 122.820 0.034 0.000 2.381 166 A HA 0.658 4.977 4.320 -0.000 0.000 0.299 166 A C -0.382 177.366 177.584 0.274 0.000 1.049 166 A CA 0.077 52.120 52.037 0.010 0.000 0.715 166 A CB 1.281 20.108 19.000 -0.288 0.000 1.222 166 A HN 2.272 nan 8.150 nan 0.000 0.428 167 V N 0.062 120.151 119.914 0.292 0.000 2.823 167 V HA 0.999 5.119 4.120 -0.000 0.000 0.312 167 V C 0.197 176.502 176.094 0.352 0.000 1.072 167 V CA -0.082 62.391 62.300 0.289 0.000 0.937 167 V CB 1.465 33.360 31.823 0.119 0.000 1.013 167 V HN 1.432 nan 8.190 nan 0.000 0.430 168 G N 3.174 111.983 108.800 0.015 0.000 2.417 168 G HA2 0.826 4.786 3.960 -0.000 0.000 0.334 168 G HA3 0.826 4.786 3.960 -0.000 0.000 0.334 168 G C -0.750 174.121 174.900 -0.048 0.000 1.150 168 G CA -0.718 44.339 45.100 -0.071 0.000 0.923 168 G HN 1.548 nan 8.290 nan 0.000 0.485 169 I N -1.876 118.707 120.570 0.021 0.000 2.994 169 I HA 0.612 4.781 4.170 -0.000 0.000 0.306 169 I C -0.002 176.153 176.117 0.063 0.000 1.195 169 I CA -1.005 60.316 61.300 0.034 0.000 1.001 169 I CB 2.053 40.087 38.000 0.056 0.000 1.244 169 I HN 0.480 nan 8.210 nan 0.000 0.437 170 T N 1.478 116.058 114.554 0.044 0.000 2.795 170 T HA 0.038 4.388 4.350 -0.000 0.000 0.314 170 T C 1.078 175.845 174.700 0.112 0.000 1.069 170 T CA 0.381 62.516 62.100 0.057 0.000 1.071 170 T CB 0.738 69.626 68.868 0.033 0.000 0.988 170 T HN 0.887 nan 8.240 nan 0.000 0.543 171 K N 1.421 121.891 120.400 0.117 0.000 2.009 171 K HA -0.166 4.153 4.320 -0.000 0.000 0.210 171 K C 2.306 178.980 176.600 0.123 0.000 1.049 171 K CA 1.814 58.206 56.287 0.174 0.000 0.929 171 K CB -0.171 32.400 32.500 0.118 0.000 0.714 171 K HN 0.698 nan 8.250 nan 0.000 0.440 172 Q N 0.410 120.246 119.800 0.060 0.000 2.045 172 Q HA -0.213 4.127 4.340 -0.000 0.000 0.206 172 Q C 1.921 177.912 176.000 -0.016 0.000 0.991 172 Q CA 2.118 57.932 55.803 0.020 0.000 0.851 172 Q CB -0.134 28.611 28.738 0.012 0.000 0.911 172 Q HN 0.471 nan 8.270 nan 0.000 0.418 173 E N -0.482 119.709 120.200 -0.015 0.000 2.409 173 E HA -0.098 4.252 4.350 -0.000 0.000 0.198 173 E C 1.801 178.327 176.600 -0.122 0.000 1.024 173 E CA 0.594 56.964 56.400 -0.050 0.000 0.861 173 E CB 0.006 29.690 29.700 -0.026 0.000 0.788 173 E HN 0.456 nan 8.360 nan 0.000 0.521 174 G N 1.187 109.901 108.800 -0.144 0.000 2.490 174 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.211 174 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.211 174 G C 1.192 175.622 174.900 -0.784 0.000 1.159 174 G CA 0.141 44.916 45.100 -0.541 0.000 0.819 174 G HN 0.082 nan 8.290 nan 0.000 0.539 175 D N 1.459 121.669 120.400 -0.317 0.000 2.178 175 D HA -0.063 4.577 4.640 -0.000 0.000 0.201 175 D C 2.758 178.922 176.300 -0.226 0.000 0.980 175 D CA 1.106 54.988 54.000 -0.197 0.000 0.842 175 D CB -0.158 40.632 40.800 -0.017 0.000 0.948 175 D HN 0.303 nan 8.370 nan 0.000 0.472 176 A N 1.090 123.796 122.820 -0.190 0.000 1.877 176 A HA -0.128 4.191 4.320 -0.000 0.000 0.216 176 A C 2.427 179.899 177.584 -0.187 0.000 1.186 176 A CA 0.898 52.844 52.037 -0.151 0.000 0.620 176 A CB -0.814 18.122 19.000 -0.107 0.000 0.822 176 A HN 0.166 nan 8.150 nan 0.000 0.443 177 L N -0.783 120.297 121.223 -0.237 0.000 2.017 177 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 177 L C 3.120 179.821 176.870 -0.283 0.000 1.073 177 L CA 1.093 55.799 54.840 -0.223 0.000 0.745 177 L CB -0.592 41.335 42.059 -0.219 0.000 0.894 177 L HN 0.443 nan 8.230 nan 0.000 0.432 178 A N 0.025 122.579 122.820 -0.445 0.000 1.940 178 A HA -0.197 4.122 4.320 -0.000 0.000 0.219 178 A C 2.523 179.831 177.584 -0.461 0.000 1.176 178 A CA 1.836 53.487 52.037 -0.642 0.000 0.631 178 A CB -0.690 17.823 19.000 -0.812 0.000 0.814 178 A HN 0.422 nan 8.150 nan 0.000 0.446 179 A N 0.282 122.924 122.820 -0.295 0.000 1.877 179 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 179 A C 1.967 179.468 177.584 -0.138 0.000 1.186 179 A CA 1.677 53.604 52.037 -0.183 0.000 0.620 179 A CB -0.641 18.282 19.000 -0.128 0.000 0.822 179 A HN 0.556 nan 8.150 nan 0.000 0.443 180 N N 0.162 118.785 118.700 -0.128 0.000 2.166 180 N HA -0.100 4.639 4.740 -0.000 0.000 0.186 180 N C 1.715 177.181 175.510 -0.074 0.000 1.019 180 N CA 1.379 54.377 53.050 -0.086 0.000 0.856 180 N CB -0.449 37.991 38.487 -0.077 0.000 0.993 180 N HN 0.508 nan 8.380 nan 0.000 0.426 181 L N 0.921 122.085 121.223 -0.098 0.000 2.056 181 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 181 L C 2.453 179.307 176.870 -0.028 0.000 1.078 181 L CA 0.981 55.791 54.840 -0.051 0.000 0.749 181 L CB -0.255 41.782 42.059 -0.036 0.000 0.901 181 L HN 0.096 nan 8.230 nan 0.000 0.433 182 R N 0.067 120.525 120.500 -0.070 0.000 2.115 182 R HA -0.085 4.255 4.340 -0.000 0.000 0.230 182 R C 2.224 178.516 176.300 -0.013 0.000 1.111 182 R CA 1.167 57.254 56.100 -0.021 0.000 0.976 182 R CB -0.411 29.858 30.300 -0.051 0.000 0.870 182 R HN 0.314 nan 8.270 nan 0.000 0.445 183 A N 0.211 123.011 122.820 -0.032 0.000 2.209 183 A HA 0.105 4.425 4.320 -0.000 0.000 0.212 183 A C 1.465 179.043 177.584 -0.011 0.000 1.158 183 A CA 1.103 53.127 52.037 -0.022 0.000 0.742 183 A CB -0.184 18.797 19.000 -0.031 0.000 0.790 183 A HN 0.493 nan 8.150 nan 0.000 0.472 184 G N -1.129 107.667 108.800 -0.006 0.000 2.159 184 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.227 184 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.227 184 G C -0.055 174.844 174.900 -0.002 0.000 0.986 184 G CA 0.247 45.347 45.100 0.001 0.000 0.651 184 G HN 0.664 nan 8.290 nan 0.000 0.523 185 E N 0.507 120.701 120.200 -0.010 0.000 2.354 185 E HA 0.436 4.786 4.350 -0.000 0.000 0.269 185 E C 0.172 176.770 176.600 -0.004 0.000 1.036 185 E CA -0.512 55.882 56.400 -0.011 0.000 0.876 185 E CB 0.436 30.123 29.700 -0.021 0.000 1.009 185 E HN 0.238 nan 8.360 nan 0.000 0.416 186 K N 5.422 125.821 120.400 -0.002 0.000 2.264 186 K HA 0.298 4.618 4.320 -0.000 0.000 0.277 186 K C -0.913 175.687 176.600 -0.000 0.000 1.067 186 K CA -0.332 55.957 56.287 0.003 0.000 0.900 186 K CB 0.399 32.901 32.500 0.004 0.000 1.124 186 K HN 0.449 nan 8.250 nan 0.000 0.469 187 I N 2.863 123.433 120.570 0.001 0.000 2.493 187 I HA 0.254 4.424 4.170 -0.000 0.000 0.298 187 I C -0.139 175.980 176.117 0.003 0.000 0.998 187 I CA -0.846 60.452 61.300 -0.003 0.000 1.137 187 I CB 2.316 40.309 38.000 -0.011 0.000 1.310 187 I HN 0.510 nan 8.210 nan 0.000 0.445 188 T N 4.399 118.954 114.554 0.002 0.000 2.855 188 T HA 0.768 5.118 4.350 -0.000 0.000 0.281 188 T C -0.384 174.319 174.700 0.005 0.000 1.007 188 T CA -0.503 61.601 62.100 0.006 0.000 1.009 188 T CB 1.850 70.721 68.868 0.005 0.000 0.983 188 T HN 0.718 nan 8.240 nan 0.000 0.455 189 A N 1.928 124.754 122.820 0.009 0.000 2.485 189 A HA 0.897 5.216 4.320 -0.000 0.000 0.292 189 A C -0.556 177.036 177.584 0.013 0.000 1.147 189 A CA -0.789 51.254 52.037 0.010 0.000 0.750 189 A CB 1.674 20.682 19.000 0.013 0.000 1.331 189 A HN 0.661 nan 8.150 nan 0.000 0.419 190 T N 0.667 115.229 114.554 0.014 0.000 2.841 190 T HA 0.569 4.919 4.350 -0.000 0.000 0.285 190 T C -1.281 173.432 174.700 0.021 0.000 0.991 190 T CA -0.262 61.848 62.100 0.016 0.000 0.966 190 T CB 1.290 70.166 68.868 0.013 0.000 0.962 190 T HN 0.633 nan 8.240 nan 0.000 0.438 191 V N 4.540 124.469 119.914 0.026 0.000 2.380 191 V HA 0.455 4.575 4.120 -0.000 0.000 0.286 191 V C -0.382 175.732 176.094 0.033 0.000 1.015 191 V CA -0.804 61.515 62.300 0.032 0.000 0.834 191 V CB 1.372 33.218 31.823 0.038 0.000 1.009 191 V HN 0.714 nan 8.190 nan 0.000 0.428 192 K N 3.877 124.296 120.400 0.032 0.000 2.450 192 K HA 0.726 5.046 4.320 -0.000 0.000 0.257 192 K C -1.300 175.322 176.600 0.037 0.000 0.953 192 K CA -0.618 55.688 56.287 0.031 0.000 0.844 192 K CB 2.620 35.134 32.500 0.023 0.000 1.103 192 K HN 0.415 nan 8.250 nan 0.000 0.429 193 V N 2.393 122.334 119.914 0.045 0.000 2.378 193 V HA 0.629 4.749 4.120 -0.000 0.000 0.288 193 V C -0.605 175.517 176.094 0.046 0.000 1.016 193 V CA -0.739 61.593 62.300 0.053 0.000 0.840 193 V CB 1.373 33.243 31.823 0.079 0.000 0.994 193 V HN 0.885 nan 8.190 nan 0.000 0.431 194 A N 3.197 126.036 122.820 0.032 0.000 2.414 194 A HA 0.892 5.212 4.320 -0.000 0.000 0.306 194 A C 0.826 178.412 177.584 0.003 0.000 1.054 194 A CA 0.171 52.220 52.037 0.019 0.000 0.724 194 A CB 1.782 20.790 19.000 0.013 0.000 1.267 194 A HN 1.818 nan 8.150 nan 0.000 0.418 195 G N 0.125 108.921 108.800 -0.008 0.000 2.313 195 G HA2 0.199 4.159 3.960 -0.000 0.000 0.215 195 G HA3 0.199 4.159 3.960 -0.000 0.000 0.215 195 G C 0.887 175.743 174.900 -0.073 0.000 1.023 195 G CA 0.372 45.449 45.100 -0.038 0.000 0.626 195 G HN 2.364 nan 8.290 nan 0.000 0.503 196 A N 0.556 123.343 122.820 -0.055 0.000 2.561 196 A HA 0.503 4.823 4.320 -0.000 0.000 0.234 196 A C 0.398 177.934 177.584 -0.079 0.000 1.055 196 A CA 1.841 53.812 52.037 -0.110 0.000 0.756 196 A CB 0.213 19.282 19.000 0.116 0.000 0.986 196 A HN 1.172 nan 8.150 nan 0.000 0.505 197 E N 0.982 121.070 120.200 -0.186 0.000 2.380 197 E HA 0.521 4.871 4.350 -0.000 0.000 0.281 197 E C -2.025 174.565 176.600 -0.017 0.000 0.999 197 E CA -0.617 55.750 56.400 -0.056 0.000 0.800 197 E CB 1.940 31.595 29.700 -0.075 0.000 1.228 197 E HN 0.466 nan 8.360 nan 0.000 0.436 198 V N 3.618 123.588 119.914 0.094 0.000 2.487 198 V HA 0.515 4.635 4.120 -0.000 0.000 0.298 198 V C -0.678 175.460 176.094 0.072 0.000 1.028 198 V CA -0.615 61.774 62.300 0.148 0.000 0.860 198 V CB 1.510 33.488 31.823 0.259 0.000 0.991 198 V HN 0.656 nan 8.190 nan 0.000 0.427 199 K N 1.530 121.951 120.400 0.034 0.000 2.477 199 K HA 0.701 5.021 4.320 -0.000 0.000 0.255 199 K C -0.798 175.762 176.600 -0.068 0.000 0.952 199 K CA -0.687 55.591 56.287 -0.015 0.000 0.826 199 K CB 1.988 34.465 32.500 -0.039 0.000 1.331 199 K HN 0.391 nan 8.250 nan 0.000 0.437 200 T N 2.766 117.272 114.554 -0.081 0.000 2.851 200 T HA 0.287 4.637 4.350 -0.000 0.000 0.298 200 T C -0.149 174.409 174.700 -0.237 0.000 0.977 200 T CA -0.302 61.711 62.100 -0.145 0.000 1.126 200 T CB 0.001 68.823 68.868 -0.077 0.000 0.916 200 T HN 0.334 nan 8.240 nan 0.000 0.529 201 L N 2.173 123.114 121.223 -0.469 0.000 2.301 201 L HA 0.625 4.965 4.340 -0.000 0.000 0.264 201 L C 0.149 176.779 176.870 -0.399 0.000 1.016 201 L CA -1.028 53.520 54.840 -0.487 0.000 0.821 201 L CB 2.355 43.980 42.059 -0.724 0.000 1.346 201 L HN 0.505 nan 8.230 nan 0.000 0.429 202 T N 0.174 114.607 114.554 -0.202 0.000 2.812 202 T HA 0.449 4.799 4.350 -0.000 0.000 0.282 202 T C -0.500 174.062 174.700 -0.229 0.000 0.990 202 T CA -0.352 61.623 62.100 -0.208 0.000 0.960 202 T CB 1.822 70.574 68.868 -0.193 0.000 0.948 202 T HN 0.558 nan 8.240 nan 0.000 0.438 203 S N 1.814 117.178 115.700 -0.559 0.000 2.806 203 S HA 0.818 5.288 4.470 -0.000 0.000 0.315 203 S C -1.486 172.449 174.600 -1.108 0.000 1.127 203 S CA -0.593 57.270 58.200 -0.562 0.000 0.918 203 S CB 0.791 63.752 63.200 -0.399 0.000 1.240 203 S HN 0.791 nan 8.310 nan 0.000 0.552 204 H N -0.099 118.869 119.070 -0.171 0.000 3.037 204 H HA 0.544 5.100 4.556 -0.000 0.000 0.355 204 H C -1.173 174.472 175.328 0.527 0.000 1.263 204 H CA -0.891 55.245 56.048 0.146 0.000 1.129 204 H CB 0.854 30.688 29.762 0.119 0.000 1.861 204 H HN 0.422 nan 8.280 nan 0.000 0.546 205 N N 0.429 119.517 118.700 0.647 0.000 2.314 205 N HA 0.439 5.179 4.740 -0.000 0.000 0.304 205 N C -1.097 174.619 175.510 0.343 0.000 1.073 205 N CA -0.613 52.746 53.050 0.516 0.000 0.822 205 N CB 2.756 41.525 38.487 0.469 0.000 1.280 205 N HN 0.212 nan 8.380 nan 0.000 0.489 206 V N 2.822 122.884 119.914 0.248 0.000 2.384 206 V HA 0.489 4.609 4.120 -0.000 0.000 0.287 206 V C -0.158 175.931 176.094 -0.008 0.000 1.020 206 V CA -0.640 61.753 62.300 0.156 0.000 0.850 206 V CB 0.873 32.837 31.823 0.236 0.000 0.987 206 V HN 0.463 nan 8.190 nan 0.000 0.436 207 I N 4.309 124.833 120.570 -0.076 0.000 2.389 207 I HA 0.735 4.904 4.170 -0.000 0.000 0.288 207 I C 0.244 176.179 176.117 -0.303 0.000 0.999 207 I CA -0.254 60.921 61.300 -0.208 0.000 1.129 207 I CB 1.911 39.861 38.000 -0.083 0.000 1.288 207 I HN 0.649 nan 8.210 nan 0.000 0.444 208 A N 4.304 126.781 122.820 -0.572 0.000 2.304 208 A HA 0.846 5.165 4.320 -0.000 0.000 0.314 208 A C -0.369 177.078 177.584 -0.229 0.000 1.187 208 A CA -0.442 51.225 52.037 -0.617 0.000 0.810 208 A CB 0.727 18.716 19.000 -1.685 0.000 1.183 208 A HN 0.589 nan 8.150 nan 0.000 0.487 209 T N 2.162 116.764 114.554 0.080 0.000 2.807 209 T HA 0.444 4.794 4.350 -0.000 0.000 0.279 209 T C -0.320 174.598 174.700 0.362 0.000 0.993 209 T CA -0.491 61.723 62.100 0.189 0.000 0.970 209 T CB 1.260 70.206 68.868 0.130 0.000 0.950 209 T HN 0.603 nan 8.240 nan 0.000 0.441 210 K N 3.207 123.829 120.400 0.369 0.000 2.367 210 K HA 0.297 4.616 4.320 -0.000 0.000 0.263 210 K C -0.276 176.414 176.600 0.149 0.000 1.000 210 K CA -0.827 55.634 56.287 0.290 0.000 0.891 210 K CB 0.435 33.181 32.500 0.411 0.000 1.117 210 K HN 0.252 nan 8.250 nan 0.000 0.443 211 K N 4.256 124.712 120.400 0.092 0.000 2.237 211 K HA 0.226 4.546 4.320 -0.000 0.000 0.270 211 K C -2.313 174.316 176.600 0.048 0.000 1.015 211 K CA -1.899 54.423 56.287 0.059 0.000 0.949 211 K CB 0.681 33.204 32.500 0.038 0.000 0.976 211 K HN 0.570 nan 8.250 nan 0.000 0.472 212 P HA 0.005 nan 4.420 nan 0.000 0.268 212 P C -0.302 177.012 177.300 0.022 0.000 1.205 212 P CA 0.151 63.269 63.100 0.031 0.000 0.771 212 P CB 0.512 32.225 31.700 0.022 0.000 0.858 213 D N 0.955 121.368 120.400 0.021 0.000 2.582 213 D HA 0.156 4.795 4.640 -0.000 0.000 0.246 213 D C 1.134 177.441 176.300 0.012 0.000 1.334 213 D CA -0.391 53.617 54.000 0.013 0.000 0.805 213 D CB -0.220 40.586 40.800 0.009 0.000 1.087 213 D HN 0.219 nan 8.370 nan 0.000 0.499 214 A N 1.099 123.927 122.820 0.012 0.000 1.823 214 A HA 0.097 4.417 4.320 -0.000 0.000 0.214 214 A C 1.454 179.041 177.584 0.005 0.000 1.227 214 A CA 2.270 54.312 52.037 0.008 0.000 0.616 214 A CB -0.492 18.510 19.000 0.003 0.000 0.874 214 A HN 0.442 nan 8.150 nan 0.000 0.455 215 N N -4.433 114.269 118.700 0.003 0.000 2.932 215 N HA -0.079 4.661 4.740 -0.000 0.000 0.383 215 N C 0.488 175.998 175.510 0.000 0.000 0.736 215 N CA 0.591 53.642 53.050 0.002 0.000 1.816 215 N CB -1.013 37.475 38.487 0.001 0.000 1.985 215 N HN 0.068 nan 8.380 nan 0.000 1.909 216 K N 0.582 120.982 120.400 -0.001 0.000 2.362 216 K HA 0.111 4.430 4.320 -0.000 0.000 0.200 216 K C 0.708 177.306 176.600 -0.003 0.000 1.046 216 K CA 0.867 57.153 56.287 -0.001 0.000 0.952 216 K CB -0.008 32.491 32.500 -0.002 0.000 0.753 216 K HN 0.278 nan 8.250 nan 0.000 0.466 217 K N 0.597 120.994 120.400 -0.004 0.000 2.426 217 K HA 0.051 4.371 4.320 -0.000 0.000 0.193 217 K C 0.079 176.674 176.600 -0.007 0.000 1.028 217 K CA -0.108 56.175 56.287 -0.008 0.000 1.047 217 K CB 0.100 32.593 32.500 -0.011 0.000 0.821 217 K HN 0.082 nan 8.250 nan 0.000 0.513 218 N N 2.587 121.286 118.700 -0.003 0.000 2.412 218 N HA -0.043 4.697 4.740 -0.000 0.000 0.258 218 N C 0.249 175.759 175.510 -0.001 0.000 1.236 218 N CA 0.567 53.617 53.050 -0.000 0.000 0.882 218 N CB 0.881 39.370 38.487 0.004 0.000 1.066 218 N HN 0.189 nan 8.380 nan 0.000 0.465 219 T N -1.539 113.015 114.554 -0.000 0.000 2.922 219 T HA 0.330 4.680 4.350 -0.000 0.000 0.281 219 T C 0.880 175.584 174.700 0.006 0.000 1.005 219 T CA -0.827 61.274 62.100 0.001 0.000 0.982 219 T CB 0.918 69.785 68.868 -0.002 0.000 1.158 219 T HN 0.507 nan 8.240 nan 0.000 0.566 220 N N -0.558 118.147 118.700 0.008 0.000 2.238 220 N HA 0.110 4.850 4.740 -0.000 0.000 0.222 220 N C -0.975 174.544 175.510 0.016 0.000 1.133 220 N CA -0.361 52.696 53.050 0.012 0.000 0.854 220 N CB -0.192 38.302 38.487 0.012 0.000 1.041 220 N HN 0.467 nan 8.380 nan 0.000 0.510 221 D N 1.069 121.477 120.400 0.014 0.000 2.362 221 D HA 0.233 4.872 4.640 -0.000 0.000 0.242 221 D C 0.257 176.569 176.300 0.019 0.000 1.132 221 D CA 0.184 54.194 54.000 0.017 0.000 0.907 221 D CB 1.316 42.124 40.800 0.014 0.000 1.195 221 D HN 0.069 nan 8.370 nan 0.000 0.429 222 I N 1.809 122.394 120.570 0.024 0.000 2.545 222 I HA 0.415 4.585 4.170 -0.000 0.000 0.292 222 I C -0.042 176.084 176.117 0.016 0.000 1.040 222 I CA -0.539 60.772 61.300 0.019 0.000 1.068 222 I CB 1.492 39.513 38.000 0.035 0.000 1.251 222 I HN 0.214 nan 8.210 nan 0.000 0.424 223 I N 6.005 126.564 120.570 -0.018 0.000 2.498 223 I HA 0.479 4.649 4.170 -0.000 0.000 0.290 223 I C -0.539 175.514 176.117 -0.107 0.000 1.032 223 I CA -0.607 60.686 61.300 -0.012 0.000 1.073 223 I CB 2.763 40.756 38.000 -0.011 0.000 1.251 223 I HN 0.320 nan 8.210 nan 0.000 0.426 224 I N 6.543 127.066 120.570 -0.079 0.000 2.404 224 I HA 0.413 4.583 4.170 -0.000 0.000 0.293 224 I C -0.891 175.152 176.117 -0.123 0.000 0.992 224 I CA -0.692 60.500 61.300 -0.179 0.000 1.149 224 I CB 1.959 39.808 38.000 -0.252 0.000 1.315 224 I HN 0.316 nan 8.210 nan 0.000 0.446 225 I N 5.253 125.682 120.570 -0.235 0.000 2.382 225 I HA 0.611 4.781 4.170 -0.000 0.000 0.286 225 I C 0.422 176.528 176.117 -0.018 0.000 1.002 225 I CA 0.075 61.317 61.300 -0.096 0.000 1.135 225 I CB 1.714 39.605 38.000 -0.181 0.000 1.288 225 I HN 0.602 nan 8.210 nan 0.000 0.448 226 G N 3.181 112.044 108.800 0.105 0.000 2.730 226 G HA2 0.905 4.865 3.960 -0.000 0.000 0.289 226 G HA3 0.905 4.865 3.960 -0.000 0.000 0.289 226 G C -1.219 173.819 174.900 0.230 0.000 1.341 226 G CA -0.513 44.661 45.100 0.125 0.000 0.932 226 G HN 0.664 nan 8.290 nan 0.000 0.481 227 S N -1.528 114.300 115.700 0.214 0.000 2.636 227 S HA 0.658 5.127 4.470 -0.000 0.000 0.268 227 S C -1.237 173.551 174.600 0.313 0.000 1.159 227 S CA -0.932 57.423 58.200 0.260 0.000 0.815 227 S CB 1.454 64.737 63.200 0.139 0.000 1.130 227 S HN 1.520 nan 8.310 nan 0.000 0.471 228 H N -1.245 117.956 119.070 0.219 0.000 2.572 228 H HA 0.759 5.315 4.556 -0.000 0.000 0.359 228 H C 0.183 175.576 175.328 0.110 0.000 1.134 228 H CA -0.726 55.402 56.048 0.132 0.000 1.187 228 H CB 0.715 30.583 29.762 0.177 0.000 1.597 228 H HN 0.869 nan 8.280 nan 0.000 0.524 229 H N 0.245 119.465 119.070 0.251 0.000 2.551 229 H HA 0.151 4.707 4.556 -0.000 0.000 0.271 229 H C -0.444 174.995 175.328 0.184 0.000 0.984 229 H CA -0.282 55.858 56.048 0.155 0.000 1.164 229 H CB -0.101 29.753 29.762 0.153 0.000 1.437 229 H HN 0.711 nan 8.280 nan 0.000 0.550 230 D N 0.876 121.536 120.400 0.432 0.000 2.332 230 D HA 0.368 5.007 4.640 -0.000 0.000 0.252 230 D C 0.045 176.539 176.300 0.323 0.000 1.050 230 D CA -0.556 53.658 54.000 0.357 0.000 0.970 230 D CB 2.074 43.054 40.800 0.300 0.000 1.141 230 D HN 0.331 nan 8.370 nan 0.000 0.485 231 S N -1.036 114.783 115.700 0.198 0.000 2.661 231 S HA 0.594 5.064 4.470 -0.000 0.000 0.285 231 S C -0.015 174.610 174.600 0.042 0.000 1.138 231 S CA -0.725 57.560 58.200 0.142 0.000 0.855 231 S CB 0.961 64.219 63.200 0.096 0.000 1.136 231 S HN 0.708 nan 8.310 nan 0.000 0.484 232 V N -0.955 118.916 119.914 -0.072 0.000 3.083 232 V HA 0.596 4.716 4.120 -0.000 0.000 0.306 232 V C 0.370 176.421 176.094 -0.072 0.000 1.077 232 V CA -0.681 61.530 62.300 -0.150 0.000 1.073 232 V CB 0.126 31.699 31.823 -0.416 0.000 1.081 232 V HN 1.041 nan 8.190 nan 0.000 0.474 233 E N 1.734 121.903 120.200 -0.052 0.000 2.502 233 E HA 0.081 4.431 4.350 -0.000 0.000 0.261 233 E C 0.636 177.218 176.600 -0.030 0.000 0.974 233 E CA 1.145 57.529 56.400 -0.025 0.000 0.936 233 E CB -0.010 29.680 29.700 -0.018 0.000 0.926 233 E HN 0.783 nan 8.360 nan 0.000 0.459 234 K N 0.201 120.589 120.400 -0.019 0.000 3.529 234 K HA -0.257 4.063 4.320 -0.000 0.000 0.313 234 K C -0.643 175.950 176.600 -0.011 0.000 1.316 234 K CA 0.940 57.217 56.287 -0.016 0.000 0.988 234 K CB -1.639 30.854 32.500 -0.013 0.000 1.252 234 K HN 0.466 nan 8.250 nan 0.000 0.438 235 A N 0.675 123.488 122.820 -0.011 0.000 2.249 235 A HA 0.486 4.806 4.320 -0.000 0.000 0.314 235 A C -1.908 175.680 177.584 0.006 0.000 1.290 235 A CA -1.469 50.573 52.037 0.007 0.000 0.893 235 A CB 0.708 19.716 19.000 0.014 0.000 1.165 235 A HN -0.146 nan 8.150 nan 0.000 0.530 236 P HA -0.039 nan 4.420 nan 0.000 0.223 236 P C 1.039 178.337 177.300 -0.003 0.000 1.144 236 P CA 1.710 64.796 63.100 -0.023 0.000 0.783 236 P CB 0.196 31.870 31.700 -0.043 0.000 0.771 237 G N -0.643 108.180 108.800 0.038 0.000 2.323 237 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.292 237 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.292 237 G C 1.064 175.995 174.900 0.051 0.000 1.040 237 G CA 0.247 45.389 45.100 0.071 0.000 0.942 237 G HN 0.458 nan 8.290 nan 0.000 0.506 238 A N -0.013 122.830 122.820 0.039 0.000 1.877 238 A HA -0.046 4.273 4.320 -0.000 0.000 0.216 238 A C 2.177 179.796 177.584 0.059 0.000 1.186 238 A CA 2.266 54.313 52.037 0.017 0.000 0.620 238 A CB -0.252 18.746 19.000 -0.003 0.000 0.822 238 A HN 0.699 nan 8.150 nan 0.000 0.443 239 N N -0.799 117.968 118.700 0.112 0.000 2.402 239 N HA -0.023 4.716 4.740 -0.000 0.000 0.174 239 N C -0.547 175.058 175.510 0.159 0.000 1.027 239 N CA 0.815 53.953 53.050 0.146 0.000 0.891 239 N CB 0.144 38.746 38.487 0.193 0.000 1.016 239 N HN 0.283 nan 8.380 nan 0.000 0.439 240 D N -0.116 120.394 120.400 0.183 0.000 2.462 240 D HA 0.187 4.827 4.640 -0.000 0.000 0.249 240 D C -1.384 174.999 176.300 0.138 0.000 1.117 240 D CA -0.306 53.825 54.000 0.219 0.000 0.900 240 D CB 0.296 41.327 40.800 0.384 0.000 1.039 240 D HN 0.003 nan 8.370 nan 0.000 0.516 241 D N 2.120 122.483 120.400 -0.062 0.000 2.895 241 D HA 0.286 4.926 4.640 -0.000 0.000 0.350 241 D C 1.122 177.375 176.300 -0.078 0.000 1.389 241 D CA -0.234 53.676 54.000 -0.151 0.000 0.812 241 D CB 0.371 40.794 40.800 -0.628 0.000 1.164 241 D HN 0.275 nan 8.370 nan 0.000 0.455 242 A N -0.264 122.553 122.820 -0.004 0.000 1.972 242 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 242 A C 2.237 179.841 177.584 0.033 0.000 1.169 242 A CA 1.851 53.899 52.037 0.018 0.000 0.635 242 A CB -0.493 18.511 19.000 0.007 0.000 0.810 242 A HN 0.414 nan 8.150 nan 0.000 0.446 243 S N -0.194 115.536 115.700 0.050 0.000 2.359 243 S HA -0.056 4.414 4.470 -0.000 0.000 0.224 243 S C 2.075 176.719 174.600 0.073 0.000 1.035 243 S CA 1.513 59.758 58.200 0.075 0.000 1.018 243 S CB -1.327 61.940 63.200 0.113 0.000 0.876 243 S HN 0.674 nan 8.310 nan 0.000 0.448 244 G N 1.243 110.083 108.800 0.068 0.000 2.418 244 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.217 244 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.217 244 G C 1.468 176.410 174.900 0.070 0.000 1.158 244 G CA 0.966 46.113 45.100 0.078 0.000 0.771 244 G HN 0.486 nan 8.290 nan 0.000 0.545 245 V N 1.536 121.481 119.914 0.053 0.000 2.343 245 V HA -0.141 3.979 4.120 -0.000 0.000 0.247 245 V C 3.318 179.432 176.094 0.034 0.000 1.051 245 V CA 1.997 64.333 62.300 0.059 0.000 1.036 245 V CB -0.828 31.042 31.823 0.078 0.000 0.654 245 V HN 0.480 nan 8.190 nan 0.000 0.451 246 A N -0.228 122.617 122.820 0.042 0.000 1.877 246 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 246 A C 2.376 179.971 177.584 0.017 0.000 1.186 246 A CA 2.130 54.188 52.037 0.035 0.000 0.620 246 A CB -0.671 18.360 19.000 0.051 0.000 0.822 246 A HN 0.345 nan 8.150 nan 0.000 0.443 247 V N -0.338 119.596 119.914 0.033 0.000 2.427 247 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 247 V C 2.708 178.812 176.094 0.017 0.000 1.051 247 V CA 2.341 64.653 62.300 0.019 0.000 1.048 247 V CB -1.201 30.641 31.823 0.032 0.000 0.666 247 V HN 0.604 nan 8.190 nan 0.000 0.456 248 T N 0.499 115.086 114.554 0.055 0.000 2.708 248 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 248 T C 1.897 176.613 174.700 0.026 0.000 1.037 248 T CA 1.568 63.743 62.100 0.125 0.000 1.146 248 T CB -0.273 68.701 68.868 0.177 0.000 0.865 248 T HN 0.282 nan 8.240 nan 0.000 0.435 249 L N 0.552 121.727 121.223 -0.080 0.000 2.027 249 L HA -0.089 4.251 4.340 -0.000 0.000 0.206 249 L C 2.838 179.592 176.870 -0.193 0.000 1.074 249 L CA 1.362 56.092 54.840 -0.184 0.000 0.745 249 L CB -0.457 41.482 42.059 -0.201 0.000 0.898 249 L HN 0.221 nan 8.230 nan 0.000 0.433 250 E N 0.694 120.797 120.200 -0.162 0.000 2.110 250 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 250 E C 2.160 178.601 176.600 -0.264 0.000 0.988 250 E CA 1.353 57.619 56.400 -0.223 0.000 0.804 250 E CB -0.256 29.375 29.700 -0.115 0.000 0.745 250 E HN 0.372 nan 8.360 nan 0.000 0.458 251 L N -0.292 120.817 121.223 -0.191 0.000 2.141 251 L HA -0.079 4.260 4.340 -0.000 0.000 0.209 251 L C 2.448 179.101 176.870 -0.362 0.000 1.094 251 L CA 0.923 55.671 54.840 -0.153 0.000 0.763 251 L CB -0.575 41.504 42.059 0.032 0.000 0.908 251 L HN 0.217 nan 8.230 nan 0.000 0.437 252 A N 0.097 122.454 122.820 -0.771 0.000 1.898 252 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 252 A C 2.452 179.809 177.584 -0.377 0.000 1.181 252 A CA 1.560 52.884 52.037 -1.189 0.000 0.620 252 A CB -0.517 17.820 19.000 -1.105 0.000 0.819 252 A HN 0.313 nan 8.150 nan 0.000 0.442 253 R N -0.346 119.791 120.500 -0.605 0.000 2.073 253 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 253 R C 1.988 178.086 176.300 -0.336 0.000 1.134 253 R CA 1.778 57.436 56.100 -0.736 0.000 0.952 253 R CB -0.434 29.149 30.300 -1.195 0.000 0.850 253 R HN 0.309 nan 8.270 nan 0.000 0.433 254 V N 1.211 120.956 119.914 -0.281 0.000 2.287 254 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 254 V C 2.473 178.495 176.094 -0.120 0.000 1.053 254 V CA 1.679 63.870 62.300 -0.183 0.000 1.027 254 V CB -0.355 31.369 31.823 -0.165 0.000 0.646 254 V HN 0.380 nan 8.190 nan 0.000 0.447 255 M N 0.692 120.259 119.600 -0.055 0.000 2.296 255 M HA -0.090 4.390 4.480 -0.000 0.000 0.265 255 M C 2.450 178.781 176.300 0.051 0.000 1.064 255 M CA 1.963 57.299 55.300 0.060 0.000 1.109 255 M CB -1.522 31.234 32.600 0.261 0.000 1.396 255 M HN 0.659 nan 8.290 nan 0.000 0.430 256 S N -0.110 115.593 115.700 0.006 0.000 2.474 256 S HA -0.070 4.400 4.470 -0.000 0.000 0.235 256 S C 1.484 176.047 174.600 -0.062 0.000 0.997 256 S CA 0.667 58.825 58.200 -0.070 0.000 0.949 256 S CB -0.186 62.949 63.200 -0.108 0.000 0.766 256 S HN 0.341 nan 8.310 nan 0.000 0.517 257 K N 0.769 121.135 120.400 -0.056 0.000 2.404 257 K HA 0.424 4.744 4.320 -0.000 0.000 0.194 257 K C 0.052 176.633 176.600 -0.032 0.000 1.023 257 K CA 0.065 56.320 56.287 -0.052 0.000 1.094 257 K CB -0.014 32.443 32.500 -0.072 0.000 0.841 257 K HN 0.453 nan 8.250 nan 0.000 0.523 258 L N 0.862 122.080 121.223 -0.008 0.000 2.333 258 L HA 0.382 4.722 4.340 -0.000 0.000 0.263 258 L C -0.071 176.846 176.870 0.078 0.000 1.014 258 L CA -1.240 53.623 54.840 0.039 0.000 0.820 258 L CB 1.574 43.657 42.059 0.040 0.000 1.352 258 L HN -0.284 nan 8.230 nan 0.000 0.421 259 K N 1.527 121.986 120.400 0.098 0.000 2.218 259 K HA 0.505 4.824 4.320 -0.000 0.000 0.276 259 K C -0.287 176.378 176.600 0.109 0.000 1.022 259 K CA -0.231 56.103 56.287 0.079 0.000 0.946 259 K CB 1.386 33.919 32.500 0.057 0.000 1.000 259 K HN 0.780 nan 8.250 nan 0.000 0.468 260 T N -1.876 112.724 114.554 0.076 0.000 2.909 260 T HA 0.311 4.660 4.350 -0.000 0.000 0.299 260 T C -0.071 174.646 174.700 0.028 0.000 1.073 260 T CA -0.888 61.251 62.100 0.065 0.000 0.999 260 T CB 1.500 70.426 68.868 0.096 0.000 1.098 260 T HN 0.488 nan 8.240 nan 0.000 0.477 261 D N -0.309 120.092 120.400 0.002 0.000 2.440 261 D HA 0.208 4.847 4.640 -0.000 0.000 0.216 261 D C -0.196 176.103 176.300 -0.001 0.000 1.150 261 D CA -0.291 53.707 54.000 -0.003 0.000 0.832 261 D CB 0.286 41.076 40.800 -0.018 0.000 0.992 261 D HN 0.512 nan 8.370 nan 0.000 0.502 262 T N 0.301 114.859 114.554 0.006 0.000 2.879 262 T HA 0.224 4.574 4.350 -0.000 0.000 0.290 262 T C -0.729 173.980 174.700 0.017 0.000 0.993 262 T CA -0.736 61.367 62.100 0.006 0.000 0.975 262 T CB 2.501 71.366 68.868 -0.005 0.000 0.981 262 T HN 0.101 nan 8.240 nan 0.000 0.439 263 E N 3.413 123.623 120.200 0.017 0.000 2.415 263 E HA 0.220 4.570 4.350 -0.000 0.000 0.263 263 E C -0.956 175.636 176.600 -0.012 0.000 0.995 263 E CA -0.087 56.327 56.400 0.023 0.000 0.915 263 E CB 0.417 30.134 29.700 0.029 0.000 0.951 263 E HN 0.465 nan 8.360 nan 0.000 0.449 264 L N 5.561 126.775 121.223 -0.015 0.000 2.333 264 L HA 0.495 4.835 4.340 -0.000 0.000 0.280 264 L C -0.099 176.631 176.870 -0.234 0.000 1.004 264 L CA -0.730 54.002 54.840 -0.180 0.000 0.820 264 L CB 1.684 43.631 42.059 -0.187 0.000 1.247 264 L HN 0.507 nan 8.230 nan 0.000 0.416 265 R N 3.457 123.735 120.500 -0.370 0.000 2.337 265 R HA 0.466 4.806 4.340 -0.000 0.000 0.319 265 R C -1.425 174.576 176.300 -0.498 0.000 0.954 265 R CA -0.508 55.413 56.100 -0.298 0.000 0.840 265 R CB 1.397 31.614 30.300 -0.137 0.000 1.164 265 R HN 0.308 nan 8.270 nan 0.000 0.472 266 F N 4.246 124.022 119.950 -0.290 0.000 2.405 266 F HA 0.463 4.990 4.527 -0.000 0.000 0.355 266 F C 0.441 176.019 175.800 -0.370 0.000 1.121 266 F CA -0.510 57.321 58.000 -0.282 0.000 1.112 266 F CB 0.892 39.717 39.000 -0.291 0.000 1.126 266 F HN 0.208 nan 8.300 nan 0.000 0.481 267 I N 2.309 122.769 120.570 -0.183 0.000 2.582 267 I HA 0.390 4.560 4.170 -0.000 0.000 0.292 267 I C -0.595 175.266 176.117 -0.427 0.000 1.066 267 I CA -0.862 60.194 61.300 -0.406 0.000 1.053 267 I CB 2.638 40.150 38.000 -0.815 0.000 1.241 267 I HN 0.505 nan 8.210 nan 0.000 0.421 268 T N 1.784 116.194 114.554 -0.240 0.000 2.770 268 T HA 0.640 4.990 4.350 -0.000 0.000 0.283 268 T C -0.681 173.873 174.700 -0.243 0.000 0.988 268 T CA -0.512 61.526 62.100 -0.104 0.000 0.957 268 T CB 0.553 69.599 68.868 0.297 0.000 0.930 268 T HN 0.139 nan 8.240 nan 0.000 0.443 269 F N 1.730 121.667 119.950 -0.022 0.000 2.379 269 F HA 0.675 5.202 4.527 -0.000 0.000 0.332 269 F C 1.227 176.785 175.800 -0.403 0.000 1.096 269 F CA -0.489 57.477 58.000 -0.058 0.000 1.105 269 F CB 1.094 40.133 39.000 0.066 0.000 1.189 269 F HN 0.920 nan 8.300 nan 0.000 0.515 270 G N 0.063 108.972 108.800 0.182 0.000 2.462 270 G HA2 0.489 4.449 3.960 -0.000 0.000 0.319 270 G HA3 0.489 4.449 3.960 -0.000 0.000 0.319 270 G C -0.037 175.055 174.900 0.320 0.000 1.171 270 G CA -0.503 44.760 45.100 0.271 0.000 0.920 270 G HN 1.276 nan 8.290 nan 0.000 0.499 271 A N -0.459 122.477 122.820 0.194 0.000 2.704 271 A HA -0.174 4.145 4.320 -0.000 0.000 0.299 271 A C 1.600 179.140 177.584 -0.073 0.000 1.507 271 A CA 1.474 53.492 52.037 -0.031 0.000 0.776 271 A CB -1.373 17.467 19.000 -0.268 0.000 1.027 271 A HN 0.806 nan 8.150 nan 0.000 0.475 272 E N 0.159 120.321 120.200 -0.064 0.000 2.107 272 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 272 E C 1.504 177.984 176.600 -0.200 0.000 0.982 272 E CA 1.388 57.671 56.400 -0.195 0.000 0.809 272 E CB -0.064 29.369 29.700 -0.445 0.000 0.756 272 E HN 0.785 nan 8.360 nan 0.000 0.459 273 E N 0.594 120.701 120.200 -0.155 0.000 2.347 273 E HA -0.064 4.285 4.350 -0.000 0.000 0.196 273 E C 1.133 177.719 176.600 -0.024 0.000 1.008 273 E CA 0.301 56.657 56.400 -0.075 0.000 0.852 273 E CB -0.178 29.492 29.700 -0.049 0.000 0.783 273 E HN 0.341 nan 8.360 nan 0.000 0.505 274 N N 0.147 118.821 118.700 -0.044 0.000 2.322 274 N HA 0.040 4.780 4.740 -0.000 0.000 0.194 274 N C 0.627 176.132 175.510 -0.009 0.000 1.126 274 N CA 0.687 53.741 53.050 0.007 0.000 0.845 274 N CB 1.196 39.636 38.487 -0.079 0.000 0.976 274 N HN 0.182 nan 8.380 nan 0.000 0.475 275 G N 0.994 109.764 108.800 -0.049 0.000 2.189 275 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.113 275 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.113 275 G C 0.324 175.153 174.900 -0.119 0.000 1.038 275 G CA -0.472 44.588 45.100 -0.068 0.000 0.704 275 G HN 0.263 nan 8.290 nan 0.000 0.490 276 L N -1.242 119.896 121.223 -0.141 0.000 3.843 276 L HA -0.278 4.062 4.340 -0.000 0.000 0.411 276 L C 2.096 178.821 176.870 -0.242 0.000 1.205 276 L CA 0.597 55.322 54.840 -0.192 0.000 0.945 276 L CB -1.894 40.046 42.059 -0.198 0.000 1.929 276 L HN 0.373 nan 8.230 nan 0.000 0.934 277 I N 0.363 120.795 120.570 -0.230 0.000 2.163 277 I HA -0.181 3.989 4.170 -0.000 0.000 0.243 277 I C 2.667 178.437 176.117 -0.578 0.000 1.085 277 I CA 2.253 63.364 61.300 -0.316 0.000 1.347 277 I CB -1.510 36.354 38.000 -0.227 0.000 1.044 277 I HN 0.515 nan 8.210 nan 0.000 0.408 278 G N 1.242 109.743 108.800 -0.499 0.000 2.459 278 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.217 278 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.217 278 G C 1.796 176.539 174.900 -0.261 0.000 1.183 278 G CA 1.648 46.451 45.100 -0.496 0.000 0.776 278 G HN 0.542 nan 8.290 nan 0.000 0.552 279 S N 0.436 115.896 115.700 -0.400 0.000 2.402 279 S HA -0.013 4.457 4.470 -0.000 0.000 0.229 279 S C 2.078 176.389 174.600 -0.481 0.000 1.021 279 S CA 1.495 59.267 58.200 -0.714 0.000 0.974 279 S CB -0.190 62.325 63.200 -1.141 0.000 0.800 279 S HN 0.456 nan 8.310 nan 0.000 0.484 280 K N 1.144 121.296 120.400 -0.414 0.000 2.057 280 K HA 0.043 4.363 4.320 -0.000 0.000 0.206 280 K C 2.287 178.721 176.600 -0.277 0.000 1.050 280 K CA 1.081 57.161 56.287 -0.346 0.000 0.935 280 K CB -0.070 32.259 32.500 -0.284 0.000 0.715 280 K HN 0.197 nan 8.250 nan 0.000 0.439 281 K N 0.148 120.368 120.400 -0.301 0.000 2.097 281 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 281 K C 2.094 178.655 176.600 -0.065 0.000 1.049 281 K CA 1.282 57.438 56.287 -0.217 0.000 0.933 281 K CB -0.357 31.907 32.500 -0.394 0.000 0.717 281 K HN 0.238 nan 8.250 nan 0.000 0.442 282 Y N 1.471 121.733 120.300 -0.064 0.000 2.220 282 Y HA -0.114 4.436 4.550 -0.000 0.000 0.291 282 Y C 2.213 178.146 175.900 0.056 0.000 1.129 282 Y CA 1.298 59.464 58.100 0.111 0.000 1.161 282 Y CB -0.352 38.337 38.460 0.381 0.000 0.997 282 Y HN 0.049 nan 8.280 nan 0.000 0.522 283 A N 0.630 123.361 122.820 -0.149 0.000 1.940 283 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 283 A C 2.350 179.796 177.584 -0.229 0.000 1.176 283 A CA 1.899 53.772 52.037 -0.273 0.000 0.631 283 A CB -1.478 17.209 19.000 -0.522 0.000 0.814 283 A HN 0.589 nan 8.150 nan 0.000 0.446 284 A N 0.096 122.795 122.820 -0.201 0.000 2.121 284 A HA 0.018 4.338 4.320 -0.000 0.000 0.218 284 A C 2.301 179.803 177.584 -0.136 0.000 1.154 284 A CA 1.857 53.805 52.037 -0.148 0.000 0.679 284 A CB -0.710 18.218 19.000 -0.120 0.000 0.795 284 A HN 0.990 nan 8.150 nan 0.000 0.458 285 S N -0.662 114.920 115.700 -0.197 0.000 2.496 285 S HA 0.227 4.697 4.470 -0.000 0.000 0.224 285 S C 0.604 175.100 174.600 -0.174 0.000 0.996 285 S CA -0.297 57.798 58.200 -0.174 0.000 0.927 285 S CB -0.575 62.501 63.200 -0.207 0.000 0.774 285 S HN 0.382 nan 8.310 nan 0.000 0.524 286 L N 3.215 124.318 121.223 -0.201 0.000 2.439 286 L HA 0.338 4.678 4.340 -0.000 0.000 0.269 286 L C 0.916 177.750 176.870 -0.059 0.000 1.179 286 L CA -0.568 54.201 54.840 -0.118 0.000 0.828 286 L CB 0.724 42.736 42.059 -0.078 0.000 1.106 286 L HN 0.322 nan 8.230 nan 0.000 0.467 287 S N 0.777 116.459 115.700 -0.030 0.000 2.669 287 S HA 0.179 4.649 4.470 -0.000 0.000 0.270 287 S C 0.726 175.320 174.600 -0.009 0.000 1.225 287 S CA -0.749 57.441 58.200 -0.016 0.000 0.991 287 S CB 1.238 64.435 63.200 -0.005 0.000 0.987 287 S HN 0.671 nan 8.310 nan 0.000 0.552 288 E N 0.245 120.440 120.200 -0.008 0.000 2.150 288 E HA -0.173 4.176 4.350 -0.000 0.000 0.193 288 E C 1.176 177.778 176.600 0.003 0.000 0.985 288 E CA 1.376 57.772 56.400 -0.005 0.000 0.814 288 E CB -0.203 29.492 29.700 -0.008 0.000 0.752 288 E HN 0.839 nan 8.360 nan 0.000 0.466 289 D N 0.975 121.378 120.400 0.006 0.000 2.117 289 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 289 D C 1.686 177.998 176.300 0.019 0.000 0.982 289 D CA 1.046 55.053 54.000 0.011 0.000 0.828 289 D CB 0.168 40.974 40.800 0.011 0.000 0.967 289 D HN 0.122 nan 8.370 nan 0.000 0.464 290 E N -0.271 119.942 120.200 0.022 0.000 2.077 290 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 290 E C 2.322 178.951 176.600 0.048 0.000 0.989 290 E CA 0.710 57.132 56.400 0.037 0.000 0.800 290 E CB -0.029 29.694 29.700 0.039 0.000 0.746 290 E HN 0.433 nan 8.360 nan 0.000 0.452 291 I N 1.730 122.324 120.570 0.039 0.000 2.226 291 I HA -0.304 3.865 4.170 -0.000 0.000 0.245 291 I C 2.541 178.682 176.117 0.040 0.000 1.100 291 I CA 1.393 62.723 61.300 0.049 0.000 1.374 291 I CB -0.312 37.704 38.000 0.027 0.000 1.057 291 I HN 0.094 nan 8.210 nan 0.000 0.413 292 K N 1.180 121.595 120.400 0.025 0.000 2.217 292 K HA -0.097 4.223 4.320 -0.000 0.000 0.202 292 K C 1.982 178.596 176.600 0.024 0.000 1.051 292 K CA 1.099 57.398 56.287 0.019 0.000 0.952 292 K CB -0.184 32.323 32.500 0.011 0.000 0.736 292 K HN 0.253 nan 8.250 nan 0.000 0.453 293 R N 0.741 121.258 120.500 0.029 0.000 2.276 293 R HA 0.075 4.415 4.340 -0.000 0.000 0.196 293 R C -0.005 176.317 176.300 0.037 0.000 0.961 293 R CA 0.350 56.468 56.100 0.029 0.000 1.024 293 R CB 0.305 30.622 30.300 0.028 0.000 0.940 293 R HN 0.076 nan 8.270 nan 0.000 0.480 294 T N 2.570 117.153 114.554 0.048 0.000 2.775 294 T HA 0.114 4.464 4.350 -0.000 0.000 0.287 294 T C 1.471 176.201 174.700 0.050 0.000 0.909 294 T CA -0.085 62.048 62.100 0.055 0.000 1.081 294 T CB 0.433 69.348 68.868 0.080 0.000 0.891 294 T HN 0.289 nan 8.240 nan 0.000 0.544 295 I N 0.563 121.161 120.570 0.047 0.000 3.111 295 I HA 0.402 4.572 4.170 -0.000 0.000 0.272 295 I C 0.948 177.096 176.117 0.052 0.000 1.268 295 I CA -0.076 61.252 61.300 0.046 0.000 1.467 295 I CB 0.027 38.054 38.000 0.046 0.000 1.087 295 I HN 0.565 nan 8.210 nan 0.000 0.467 296 G N 1.662 110.500 108.800 0.064 0.000 2.596 296 G HA2 0.464 4.424 3.960 -0.000 0.000 0.296 296 G HA3 0.464 4.424 3.960 -0.000 0.000 0.296 296 G C -1.704 173.233 174.900 0.061 0.000 1.513 296 G CA -0.608 44.516 45.100 0.039 0.000 0.851 296 G HN 0.022 nan 8.290 nan 0.000 0.548 297 M N 2.078 121.665 119.600 -0.022 0.000 2.197 297 M HA 0.620 5.100 4.480 -0.000 0.000 0.301 297 M C -1.896 174.421 176.300 0.029 0.000 0.987 297 M CA -0.868 54.424 55.300 -0.012 0.000 0.921 297 M CB 1.147 33.636 32.600 -0.186 0.000 1.569 297 M HN 0.406 nan 8.290 nan 0.000 0.431 298 F N 3.338 123.308 119.950 0.033 0.000 2.404 298 F HA 0.395 4.922 4.527 -0.000 0.000 0.354 298 F C 0.276 176.168 175.800 0.153 0.000 1.122 298 F CA -0.673 57.410 58.000 0.139 0.000 1.080 298 F CB 1.407 40.397 39.000 -0.017 0.000 1.131 298 F HN 0.520 nan 8.300 nan 0.000 0.471 299 Q N 4.308 124.339 119.800 0.385 0.000 2.307 299 Q HA 0.576 4.916 4.340 -0.000 0.000 0.262 299 Q C -1.678 174.520 176.000 0.330 0.000 0.961 299 Q CA -0.354 55.651 55.803 0.336 0.000 0.882 299 Q CB 1.334 30.256 28.738 0.306 0.000 1.264 299 Q HN 0.714 nan 8.270 nan 0.000 0.446 300 L N 3.794 125.182 121.223 0.274 0.000 2.294 300 L HA 0.553 4.893 4.340 -0.000 0.000 0.283 300 L C -0.811 176.186 176.870 0.213 0.000 1.015 300 L CA -0.556 54.416 54.840 0.221 0.000 0.831 300 L CB 1.470 43.619 42.059 0.150 0.000 1.217 300 L HN 0.589 nan 8.230 nan 0.000 0.420 301 D N 6.052 126.575 120.400 0.206 0.000 2.602 301 D HA 0.413 5.053 4.640 -0.000 0.000 0.245 301 D C -0.430 175.985 176.300 0.191 0.000 1.325 301 D CA -0.279 53.855 54.000 0.222 0.000 0.952 301 D CB 1.343 42.323 40.800 0.301 0.000 1.317 301 D HN 0.452 nan 8.370 nan 0.000 0.577 302 M N 2.421 122.132 119.600 0.185 0.000 3.724 302 M HA -0.192 4.288 4.480 -0.000 0.000 0.163 302 M C -0.044 176.386 176.300 0.216 0.000 1.462 302 M CA 0.316 55.736 55.300 0.201 0.000 0.994 302 M CB -1.343 31.379 32.600 0.204 0.000 1.317 302 M HN 0.275 nan 8.290 nan 0.000 0.455 303 V N -2.045 118.008 119.914 0.233 0.000 3.017 303 V HA 0.712 4.832 4.120 -0.000 0.000 0.354 303 V C 0.888 177.220 176.094 0.396 0.000 1.389 303 V CA 0.730 63.204 62.300 0.290 0.000 1.163 303 V CB 1.055 32.951 31.823 0.122 0.000 1.178 303 V HN 0.848 nan 8.190 nan 0.000 0.547 304 G N -0.449 108.532 108.800 0.302 0.000 4.399 304 G HA2 0.227 4.187 3.960 -0.000 0.000 0.268 304 G HA3 0.227 4.187 3.960 -0.000 0.000 0.268 304 G C 0.104 175.065 174.900 0.101 0.000 1.038 304 G CA 0.570 45.774 45.100 0.174 0.000 0.811 304 G HN 0.400 nan 8.290 nan 0.000 0.408 305 S N 1.055 116.809 115.700 0.091 0.000 2.489 305 S HA 0.267 4.737 4.470 -0.000 0.000 0.277 305 S C 1.723 176.327 174.600 0.006 0.000 1.230 305 S CA -0.271 57.982 58.200 0.088 0.000 1.053 305 S CB 0.808 64.096 63.200 0.146 0.000 0.955 305 S HN 0.492 nan 8.310 nan 0.000 0.488 306 K N 3.018 123.451 120.400 0.055 0.000 2.362 306 K HA -0.005 4.315 4.320 -0.000 0.000 0.200 306 K C -0.221 176.404 176.600 0.042 0.000 1.046 306 K CA 1.076 57.380 56.287 0.030 0.000 0.952 306 K CB -0.007 32.531 32.500 0.063 0.000 0.753 306 K HN 0.434 nan 8.250 nan 0.000 0.466 307 D N 0.964 121.417 120.400 0.087 0.000 2.424 307 D HA 0.196 4.836 4.640 -0.000 0.000 0.220 307 D C -0.106 176.182 176.300 -0.021 0.000 1.150 307 D CA 0.030 54.064 54.000 0.056 0.000 0.831 307 D CB 0.885 41.768 40.800 0.138 0.000 0.981 307 D HN 0.368 nan 8.370 nan 0.000 0.500 308 A N -0.069 122.740 122.820 -0.019 0.000 2.288 308 A HA 0.735 5.055 4.320 -0.000 0.000 0.328 308 A C 0.912 178.485 177.584 -0.018 0.000 1.123 308 A CA -0.337 51.693 52.037 -0.013 0.000 0.861 308 A CB 1.057 20.085 19.000 0.048 0.000 1.272 308 A HN 0.112 nan 8.150 nan 0.000 0.490 309 G N -0.666 108.149 108.800 0.025 0.000 2.504 309 G HA2 0.425 4.385 3.960 -0.000 0.000 0.257 309 G HA3 0.425 4.385 3.960 -0.000 0.000 0.257 309 G C -0.493 174.463 174.900 0.094 0.000 1.451 309 G CA -0.381 44.739 45.100 0.034 0.000 1.059 309 G HN 0.698 nan 8.290 nan 0.000 0.550 310 D N -0.566 119.889 120.400 0.090 0.000 2.357 310 D HA 0.181 4.821 4.640 -0.000 0.000 0.242 310 D C 0.229 176.630 176.300 0.168 0.000 1.153 310 D CA -0.331 53.748 54.000 0.132 0.000 0.918 310 D CB 1.638 42.475 40.800 0.062 0.000 1.181 310 D HN 0.078 nan 8.370 nan 0.000 0.435 311 L N 1.478 122.804 121.223 0.172 0.000 2.426 311 L HA 0.340 4.680 4.340 -0.000 0.000 0.271 311 L C -0.335 176.482 176.870 -0.088 0.000 1.169 311 L CA 0.426 55.256 54.840 -0.016 0.000 0.836 311 L CB 0.256 42.312 42.059 -0.005 0.000 1.112 311 L HN 0.376 nan 8.230 nan 0.000 0.465 312 I N 4.122 124.561 120.570 -0.218 0.000 3.006 312 I HA 0.412 4.582 4.170 -0.000 0.000 0.306 312 I C -1.316 174.483 176.117 -0.531 0.000 1.250 312 I CA -0.820 60.268 61.300 -0.353 0.000 0.996 312 I CB 2.067 39.771 38.000 -0.494 0.000 1.261 312 I HN 0.608 nan 8.210 nan 0.000 0.442 313 M N 5.587 124.866 119.600 -0.536 0.000 2.227 313 M HA 0.416 4.896 4.480 -0.000 0.000 0.335 313 M C -1.780 174.249 176.300 -0.451 0.000 1.053 313 M CA -0.515 54.400 55.300 -0.642 0.000 0.973 313 M CB 1.475 33.723 32.600 -0.588 0.000 1.623 313 M HN 0.314 nan 8.290 nan 0.000 0.434 314 Y N 1.013 121.159 120.300 -0.258 0.000 2.377 314 Y HA 0.599 5.149 4.550 -0.000 0.000 0.339 314 Y C 0.559 176.417 175.900 -0.071 0.000 1.011 314 Y CA -1.043 56.984 58.100 -0.122 0.000 1.093 314 Y CB 1.996 40.392 38.460 -0.107 0.000 1.201 314 Y HN 0.625 nan 8.280 nan 0.000 0.455 315 T N -0.834 113.848 114.554 0.212 0.000 2.908 315 T HA 0.436 4.786 4.350 -0.000 0.000 0.290 315 T C 0.657 175.376 174.700 0.032 0.000 1.034 315 T CA -0.695 61.484 62.100 0.131 0.000 1.010 315 T CB 1.330 70.253 68.868 0.092 0.000 1.068 315 T HN 0.318 nan 8.240 nan 0.000 0.481 316 I N 1.745 122.200 120.570 -0.193 0.000 2.226 316 I HA -0.061 4.109 4.170 -0.000 0.000 0.245 316 I C 1.913 177.878 176.117 -0.252 0.000 1.100 316 I CA 1.494 62.576 61.300 -0.364 0.000 1.374 316 I CB -0.533 36.968 38.000 -0.832 0.000 1.057 316 I HN 0.869 nan 8.210 nan 0.000 0.413 317 D N -0.449 119.819 120.400 -0.220 0.000 2.340 317 D HA 0.188 4.827 4.640 -0.000 0.000 0.217 317 D C 1.640 177.948 176.300 0.014 0.000 1.081 317 D CA 0.559 54.527 54.000 -0.053 0.000 0.842 317 D CB -0.378 40.445 40.800 0.038 0.000 0.934 317 D HN 0.292 nan 8.370 nan 0.000 0.511 318 G N 0.218 109.043 108.800 0.041 0.000 2.168 318 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.257 318 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.257 318 G C 0.110 175.139 174.900 0.216 0.000 0.997 318 G CA 0.476 45.642 45.100 0.110 0.000 0.708 318 G HN 0.473 nan 8.290 nan 0.000 0.520 319 K N -0.314 120.189 120.400 0.171 0.000 2.238 319 K HA 0.529 4.849 4.320 -0.000 0.000 0.239 319 K C 0.362 176.971 176.600 0.015 0.000 0.987 319 K CA -0.934 55.434 56.287 0.135 0.000 0.857 319 K CB 1.517 34.058 32.500 0.068 0.000 1.154 319 K HN 0.126 nan 8.250 nan 0.000 0.439 320 K N 1.591 121.881 120.400 -0.184 0.000 2.202 320 K HA 0.116 4.436 4.320 -0.000 0.000 0.264 320 K C -0.115 176.427 176.600 -0.096 0.000 1.010 320 K CA -0.313 55.795 56.287 -0.298 0.000 0.940 320 K CB 0.472 32.714 32.500 -0.430 0.000 0.983 320 K HN 0.665 nan 8.250 nan 0.000 0.475 321 N N -0.663 118.003 118.700 -0.056 0.000 3.204 321 N HA 0.175 4.915 4.740 -0.000 0.000 0.285 321 N C 0.205 175.704 175.510 -0.018 0.000 1.536 321 N CA -1.010 52.029 53.050 -0.018 0.000 0.832 321 N CB 0.610 39.102 38.487 0.009 0.000 1.645 321 N HN 0.403 nan 8.380 nan 0.000 0.586 322 R N -0.533 119.959 120.500 -0.012 0.000 2.105 322 R HA -0.071 4.269 4.340 -0.000 0.000 0.239 322 R C 0.872 177.151 176.300 -0.035 0.000 1.135 322 R CA 1.711 57.807 56.100 -0.006 0.000 0.967 322 R CB -0.494 29.811 30.300 0.008 0.000 0.861 322 R HN 0.463 nan 8.270 nan 0.000 0.442 323 V N 0.553 120.394 119.914 -0.122 0.000 2.358 323 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 323 V C 2.510 178.517 176.094 -0.145 0.000 1.047 323 V CA 2.254 64.372 62.300 -0.304 0.000 1.035 323 V CB -0.701 30.804 31.823 -0.530 0.000 0.658 323 V HN 0.666 nan 8.190 nan 0.000 0.452 324 T N -2.548 111.939 114.554 -0.112 0.000 2.867 324 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 324 T C 1.543 176.144 174.700 -0.166 0.000 1.057 324 T CA 1.439 63.472 62.100 -0.111 0.000 1.136 324 T CB -0.395 68.443 68.868 -0.050 0.000 0.874 324 T HN 0.384 nan 8.240 nan 0.000 0.466 325 D N 1.411 121.782 120.400 -0.049 0.000 2.117 325 D HA 0.041 4.681 4.640 -0.000 0.000 0.198 325 D C 2.124 178.382 176.300 -0.070 0.000 0.982 325 D CA 0.775 54.744 54.000 -0.051 0.000 0.828 325 D CB -0.307 40.518 40.800 0.042 0.000 0.967 325 D HN 0.371 nan 8.370 nan 0.000 0.464 326 L N 0.410 121.646 121.223 0.022 0.000 2.056 326 L HA -0.024 4.316 4.340 -0.000 0.000 0.207 326 L C 2.563 179.502 176.870 0.116 0.000 1.078 326 L CA 1.252 56.152 54.840 0.100 0.000 0.749 326 L CB -0.619 41.584 42.059 0.240 0.000 0.901 326 L HN 0.074 nan 8.230 nan 0.000 0.433 327 G N -0.371 108.533 108.800 0.175 0.000 2.421 327 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.216 327 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.216 327 G C 1.756 176.668 174.900 0.020 0.000 1.171 327 G CA 0.819 46.070 45.100 0.252 0.000 0.775 327 G HN 0.460 nan 8.290 nan 0.000 0.543 328 A N 1.063 123.743 122.820 -0.235 0.000 1.933 328 A HA 0.297 4.617 4.320 -0.000 0.000 0.218 328 A C 2.804 180.277 177.584 -0.185 0.000 1.175 328 A CA 2.194 53.996 52.037 -0.392 0.000 0.628 328 A CB -0.727 17.582 19.000 -1.152 0.000 0.814 328 A HN 0.762 nan 8.150 nan 0.000 0.444 329 A N -0.021 122.726 122.820 -0.123 0.000 1.877 329 A HA 0.159 4.479 4.320 -0.000 0.000 0.216 329 A C 2.536 180.112 177.584 -0.013 0.000 1.186 329 A CA 2.164 54.174 52.037 -0.044 0.000 0.620 329 A CB -1.117 17.873 19.000 -0.016 0.000 0.822 329 A HN 1.038 nan 8.150 nan 0.000 0.443 330 A N -0.855 121.969 122.820 0.006 0.000 1.858 330 A HA -0.141 4.178 4.320 -0.000 0.000 0.216 330 A C 2.518 180.113 177.584 0.018 0.000 1.190 330 A CA 2.329 54.378 52.037 0.020 0.000 0.617 330 A CB -1.145 17.876 19.000 0.034 0.000 0.827 330 A HN 0.573 nan 8.150 nan 0.000 0.443 331 S N 0.105 115.816 115.700 0.019 0.000 2.370 331 S HA -0.187 4.283 4.470 -0.000 0.000 0.226 331 S C 2.329 176.939 174.600 0.016 0.000 1.033 331 S CA 2.184 60.398 58.200 0.024 0.000 1.011 331 S CB -0.597 62.619 63.200 0.026 0.000 0.852 331 S HN 0.930 nan 8.310 nan 0.000 0.457 332 S N 1.116 116.817 115.700 0.002 0.000 2.419 332 S HA -0.076 4.393 4.470 -0.000 0.000 0.235 332 S C 1.827 176.436 174.600 0.015 0.000 1.019 332 S CA 0.873 59.079 58.200 0.010 0.000 0.982 332 S CB -0.472 62.732 63.200 0.006 0.000 0.789 332 S HN 0.636 nan 8.310 nan 0.000 0.490 333 R N 0.117 120.624 120.500 0.013 0.000 2.189 333 R HA 0.367 4.707 4.340 -0.000 0.000 0.203 333 R C 1.944 178.258 176.300 0.022 0.000 1.012 333 R CA 0.784 56.891 56.100 0.013 0.000 1.015 333 R CB -0.182 30.121 30.300 0.004 0.000 0.938 333 R HN 0.420 nan 8.270 nan 0.000 0.472 334 L N -1.304 119.935 121.223 0.027 0.000 2.388 334 L HA 0.185 4.525 4.340 -0.000 0.000 0.209 334 L C 1.375 178.268 176.870 0.037 0.000 1.061 334 L CA 0.668 55.530 54.840 0.036 0.000 0.834 334 L CB 0.384 42.465 42.059 0.036 0.000 1.029 334 L HN -0.029 nan 8.230 nan 0.000 0.473 335 S N -1.553 114.168 115.700 0.036 0.000 2.648 335 S HA 0.532 5.002 4.470 -0.000 0.000 0.270 335 S C 0.406 175.028 174.600 0.036 0.000 1.082 335 S CA 0.343 58.566 58.200 0.038 0.000 1.116 335 S CB 1.998 65.226 63.200 0.046 0.000 1.040 335 S HN 0.502 nan 8.310 nan 0.000 0.572 336 G N 1.112 109.932 108.800 0.033 0.000 2.270 336 G HA2 0.039 3.999 3.960 -0.000 0.000 0.268 336 G HA3 0.039 3.999 3.960 -0.000 0.000 0.268 336 G C -1.231 173.690 174.900 0.035 0.000 1.312 336 G CA -0.601 44.520 45.100 0.033 0.000 1.050 336 G HN 0.291 nan 8.290 nan 0.000 0.474 337 V N 0.885 120.825 119.914 0.043 0.000 2.479 337 V HA 0.423 4.543 4.120 -0.000 0.000 0.281 337 V C 0.377 176.502 176.094 0.052 0.000 1.031 337 V CA 0.124 62.457 62.300 0.056 0.000 1.038 337 V CB 1.001 32.866 31.823 0.070 0.000 0.981 337 V HN 0.885 nan 8.190 nan 0.000 0.478 338 L N 9.951 131.200 121.223 0.043 0.000 2.295 338 L HA 0.647 4.986 4.340 -0.000 0.000 0.281 338 L C -2.402 174.520 176.870 0.088 0.000 1.018 338 L CA -1.893 52.965 54.840 0.030 0.000 0.841 338 L CB 1.350 43.408 42.059 -0.002 0.000 1.218 338 L HN 0.384 nan 8.230 nan 0.000 0.424 339 P HA 0.318 nan 4.420 nan 0.000 0.274 339 P C -1.832 175.563 177.300 0.158 0.000 1.256 339 P CA 0.021 63.212 63.100 0.152 0.000 0.795 339 P CB 0.472 32.182 31.700 0.016 0.000 1.038 340 Y N -2.413 117.897 120.300 0.017 0.000 2.581 340 Y HA 0.884 5.433 4.550 -0.000 0.000 0.345 340 Y C -0.216 175.659 175.900 -0.041 0.000 1.036 340 Y CA -1.004 57.064 58.100 -0.054 0.000 1.042 340 Y CB 1.220 39.723 38.460 0.071 0.000 1.289 340 Y HN 0.617 nan 8.280 nan 0.000 0.471 341 G N 0.726 109.490 108.800 -0.060 0.000 2.782 341 G HA2 0.435 4.395 3.960 -0.000 0.000 0.304 341 G HA3 0.435 4.395 3.960 -0.000 0.000 0.304 341 G C -2.218 172.843 174.900 0.269 0.000 1.315 341 G CA -1.189 43.931 45.100 0.033 0.000 0.791 341 G HN 0.822 nan 8.290 nan 0.000 0.519 342 Q N -0.095 119.809 119.800 0.173 0.000 2.333 342 Q HA 0.624 4.964 4.340 -0.000 0.000 0.265 342 Q C -1.420 174.500 176.000 -0.134 0.000 0.989 342 Q CA -0.441 55.395 55.803 0.056 0.000 0.842 342 Q CB 1.676 30.408 28.738 -0.011 0.000 1.262 342 Q HN 0.476 nan 8.270 nan 0.000 0.451 343 E N 2.177 122.286 120.200 -0.152 0.000 2.431 343 E HA 0.487 4.837 4.350 -0.000 0.000 0.287 343 E C -1.503 175.072 176.600 -0.042 0.000 1.032 343 E CA -0.064 56.151 56.400 -0.307 0.000 0.839 343 E CB 1.055 30.193 29.700 -0.936 0.000 1.218 343 E HN 0.644 nan 8.360 nan 0.000 0.424 344 G N 1.600 110.352 108.800 -0.080 0.000 3.434 344 G HA2 0.392 4.351 3.960 -0.000 0.000 0.197 344 G HA3 0.392 4.351 3.960 -0.000 0.000 0.197 344 G C -0.638 174.283 174.900 0.035 0.000 1.559 344 G CA -0.010 45.039 45.100 -0.085 0.000 0.852 344 G HN 0.587 nan 8.290 nan 0.000 0.682 345 R N -1.473 119.006 120.500 -0.034 0.000 3.875 345 R HA -0.134 4.206 4.340 -0.000 0.000 0.321 345 R C -0.035 176.326 176.300 0.101 0.000 1.196 345 R CA 0.805 56.917 56.100 0.020 0.000 0.868 345 R CB -1.955 28.353 30.300 0.014 0.000 1.333 345 R HN 0.454 nan 8.270 nan 0.000 0.522 346 S N -1.906 113.878 115.700 0.140 0.000 2.643 346 S HA 0.208 4.678 4.470 -0.000 0.000 0.270 346 S C -0.018 174.697 174.600 0.192 0.000 1.166 346 S CA -0.822 57.519 58.200 0.235 0.000 0.815 346 S CB 1.397 64.831 63.200 0.390 0.000 1.139 346 S HN 0.156 nan 8.310 nan 0.000 0.472 347 D N 1.220 121.744 120.400 0.207 0.000 2.311 347 D HA -0.144 4.495 4.640 -0.000 0.000 0.212 347 D C 1.573 178.005 176.300 0.219 0.000 0.972 347 D CA 1.247 55.287 54.000 0.068 0.000 0.887 347 D CB -0.307 40.484 40.800 -0.015 0.000 0.915 347 D HN 0.718 nan 8.370 nan 0.000 0.497 348 H N 0.661 119.847 119.070 0.194 0.000 2.489 348 H HA -0.021 4.535 4.556 -0.000 0.000 0.293 348 H C 1.686 177.135 175.328 0.201 0.000 1.066 348 H CA 1.073 57.279 56.048 0.265 0.000 1.305 348 H CB -0.537 29.335 29.762 0.184 0.000 1.386 348 H HN 0.276 nan 8.280 nan 0.000 0.551 349 E N 1.258 121.221 120.200 -0.395 0.000 2.110 349 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 349 E C 1.822 178.328 176.600 -0.156 0.000 0.988 349 E CA 1.175 57.384 56.400 -0.318 0.000 0.804 349 E CB 0.179 29.668 29.700 -0.352 0.000 0.745 349 E HN 0.436 nan 8.360 nan 0.000 0.458 350 S N -0.328 115.227 115.700 -0.241 0.000 2.423 350 S HA -0.083 4.387 4.470 -0.000 0.000 0.231 350 S C 1.262 175.530 174.600 -0.553 0.000 1.014 350 S CA 0.804 58.738 58.200 -0.443 0.000 0.965 350 S CB -0.135 62.662 63.200 -0.672 0.000 0.785 350 S HN 0.286 nan 8.310 nan 0.000 0.495 351 F N 0.070 120.016 119.950 -0.006 0.000 2.446 351 F HA 0.196 4.723 4.527 -0.000 0.000 0.292 351 F C 2.196 178.018 175.800 0.036 0.000 1.096 351 F CA 0.457 58.480 58.000 0.038 0.000 1.438 351 F CB -0.649 38.408 39.000 0.096 0.000 1.107 351 F HN 0.212 nan 8.300 nan 0.000 0.546 352 H N 0.586 119.718 119.070 0.102 0.000 2.387 352 H HA -0.073 4.482 4.556 -0.000 0.000 0.299 352 H C 2.157 177.478 175.328 -0.011 0.000 1.090 352 H CA 1.435 57.509 56.048 0.043 0.000 1.332 352 H CB -0.083 29.679 29.762 -0.001 0.000 1.386 352 H HN 0.120 nan 8.280 nan 0.000 0.516 353 A N 0.389 123.180 122.820 -0.049 0.000 2.024 353 A HA -0.076 4.244 4.320 -0.000 0.000 0.220 353 A C 2.137 179.638 177.584 -0.138 0.000 1.164 353 A CA 1.408 53.378 52.037 -0.112 0.000 0.643 353 A CB -0.555 18.380 19.000 -0.108 0.000 0.806 353 A HN 0.520 nan 8.150 nan 0.000 0.451 354 L N -1.742 119.416 121.223 -0.109 0.000 2.592 354 L HA 0.234 4.574 4.340 -0.000 0.000 0.227 354 L C 1.601 178.427 176.870 -0.073 0.000 1.127 354 L CA 0.514 55.309 54.840 -0.076 0.000 0.884 354 L CB -0.046 41.994 42.059 -0.032 0.000 1.065 354 L HN 0.570 nan 8.230 nan 0.000 0.457 355 G N 0.844 109.564 108.800 -0.133 0.000 2.157 355 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.239 355 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.239 355 G C 0.222 175.091 174.900 -0.052 0.000 0.982 355 G CA -0.356 44.667 45.100 -0.129 0.000 0.650 355 G HN 0.259 nan 8.290 nan 0.000 0.527 356 I N 2.049 122.626 120.570 0.012 0.000 2.416 356 I HA 0.259 4.429 4.170 -0.000 0.000 0.288 356 I C -1.834 174.338 176.117 0.092 0.000 1.051 356 I CA -2.155 59.192 61.300 0.078 0.000 1.375 356 I CB 1.148 39.251 38.000 0.172 0.000 1.407 356 I HN -0.142 nan 8.210 nan 0.000 0.516 357 P HA 0.123 nan 4.420 nan 0.000 0.263 357 P C -0.936 176.400 177.300 0.060 0.000 1.195 357 P CA 0.163 63.298 63.100 0.059 0.000 0.762 357 P CB 0.665 32.374 31.700 0.015 0.000 0.799 358 A N 2.674 125.557 122.820 0.105 0.000 2.572 358 A HA 0.864 5.183 4.320 -0.000 0.000 0.295 358 A C -1.460 176.178 177.584 0.090 0.000 1.072 358 A CA -0.451 51.651 52.037 0.108 0.000 0.691 358 A CB 1.803 20.962 19.000 0.266 0.000 1.291 358 A HN 0.504 nan 8.150 nan 0.000 0.404 359 A N 0.443 123.275 122.820 0.020 0.000 2.574 359 A HA 0.697 5.017 4.320 -0.000 0.000 0.297 359 A C -1.573 175.910 177.584 -0.169 0.000 1.062 359 A CA -0.447 51.532 52.037 -0.097 0.000 0.686 359 A CB 1.282 20.120 19.000 -0.270 0.000 1.285 359 A HN 2.120 nan 8.150 nan 0.000 0.403 360 L N 1.189 122.150 121.223 -0.436 0.000 2.295 360 L HA 0.832 5.172 4.340 -0.000 0.000 0.285 360 L C -1.572 175.114 176.870 -0.308 0.000 1.035 360 L CA -0.213 54.400 54.840 -0.378 0.000 0.806 360 L CB 0.283 41.927 42.059 -0.691 0.000 1.214 360 L HN 0.487 nan 8.230 nan 0.000 0.426 361 F N 6.651 126.560 119.950 -0.068 0.000 2.411 361 F HA 0.663 5.189 4.527 -0.000 0.000 0.352 361 F C 0.147 175.892 175.800 -0.091 0.000 1.123 361 F CA -0.308 57.644 58.000 -0.081 0.000 1.044 361 F CB 1.455 40.441 39.000 -0.023 0.000 1.135 361 F HN 0.495 nan 8.300 nan 0.000 0.461 362 I N 2.031 122.565 120.570 -0.060 0.000 2.984 362 I HA 0.328 4.498 4.170 -0.000 0.000 0.303 362 I C -1.454 174.560 176.117 -0.171 0.000 1.381 362 I CA -0.677 60.585 61.300 -0.063 0.000 0.988 362 I CB 1.977 40.019 38.000 0.068 0.000 1.307 362 I HN 0.431 nan 8.210 nan 0.000 0.460 363 H N 4.674 123.776 119.070 0.054 0.000 2.604 363 H HA 0.698 5.254 4.556 -0.000 0.000 0.306 363 H C -0.547 174.790 175.328 0.016 0.000 1.075 363 H CA -0.315 55.750 56.048 0.028 0.000 1.357 363 H CB 1.477 31.265 29.762 0.044 0.000 1.426 363 H HN 0.637 nan 8.280 nan 0.000 0.470 364 A N 5.832 128.712 122.820 0.099 0.000 2.435 364 A HA 0.525 4.845 4.320 -0.000 0.000 0.304 364 A C -2.531 175.078 177.584 0.041 0.000 1.064 364 A CA -1.713 50.364 52.037 0.067 0.000 0.727 364 A CB 1.546 20.611 19.000 0.109 0.000 1.284 364 A HN 0.409 nan 8.150 nan 0.000 0.415 365 P HA 0.308 nan 4.420 nan 0.000 0.272 365 P C 0.377 177.661 177.300 -0.027 0.000 1.223 365 P CA 0.013 63.108 63.100 -0.009 0.000 0.784 365 P CB 0.776 32.457 31.700 -0.031 0.000 0.923 366 V N 0.076 119.946 119.914 -0.073 0.000 3.237 366 V HA 0.135 4.255 4.120 -0.000 0.000 0.305 366 V C 0.838 176.868 176.094 -0.106 0.000 1.096 366 V CA -0.521 61.725 62.300 -0.090 0.000 1.130 366 V CB -0.250 31.435 31.823 -0.229 0.000 1.048 366 V HN 0.688 nan 8.190 nan 0.000 0.484 367 E N 4.005 124.155 120.200 -0.083 0.000 2.409 367 E HA 0.148 4.498 4.350 -0.000 0.000 0.257 367 E C -1.986 174.432 176.600 -0.303 0.000 1.150 367 E CA -1.257 55.016 56.400 -0.212 0.000 0.942 367 E CB 0.048 29.662 29.700 -0.144 0.000 0.979 367 E HN 0.615 nan 8.360 nan 0.000 0.447 368 P HA -0.033 nan 4.420 nan 0.000 0.241 368 P C 0.458 177.580 177.300 -0.296 0.000 1.191 368 P CA 0.754 63.522 63.100 -0.552 0.000 0.771 368 P CB -0.155 31.063 31.700 -0.804 0.000 0.929 369 W N -1.615 119.754 121.300 0.114 0.000 3.047 369 W HA 0.084 4.744 4.660 -0.000 0.000 0.250 369 W C 0.791 177.404 176.519 0.156 0.000 1.314 369 W CA -1.089 56.323 57.345 0.111 0.000 1.540 369 W CB -0.974 28.540 29.460 0.090 0.000 1.127 369 W HN -0.141 nan 8.180 nan 0.000 0.679 370 Y N 2.942 123.337 120.300 0.157 0.000 2.865 370 Y HA -0.238 4.311 4.550 -0.000 0.000 0.338 370 Y C 1.088 177.095 175.900 0.178 0.000 1.269 370 Y CA 0.674 58.831 58.100 0.095 0.000 1.585 370 Y CB -0.948 37.477 38.460 -0.059 0.000 1.224 370 Y HN 0.238 nan 8.280 nan 0.000 0.554 371 H N 2.372 121.261 119.070 -0.302 0.000 2.862 371 H HA -0.195 4.361 4.556 -0.000 0.000 0.290 371 H C 0.158 175.435 175.328 -0.084 0.000 1.211 371 H CA 0.501 56.365 56.048 -0.306 0.000 1.140 371 H CB -1.276 28.136 29.762 -0.583 0.000 1.341 371 H HN 0.756 nan 8.280 nan 0.000 0.392 372 T N -4.124 110.512 114.554 0.138 0.000 2.907 372 T HA 0.367 4.717 4.350 -0.000 0.000 0.290 372 T C -2.321 172.435 174.700 0.093 0.000 1.066 372 T CA -1.982 60.194 62.100 0.126 0.000 1.012 372 T CB 2.733 71.721 68.868 0.200 0.000 1.184 372 T HN -0.290 nan 8.240 nan 0.000 0.522 373 P HA 0.099 nan 4.420 nan 0.000 0.230 373 P C 0.670 177.964 177.300 -0.011 0.000 1.158 373 P CA 0.724 63.833 63.100 0.014 0.000 0.769 373 P CB -0.227 31.473 31.700 0.000 0.000 0.807 374 N N -1.035 117.671 118.700 0.010 0.000 2.461 374 N HA -0.060 4.679 4.740 -0.000 0.000 0.188 374 N C 0.433 175.889 175.510 -0.089 0.000 1.134 374 N CA -0.052 52.925 53.050 -0.123 0.000 0.878 374 N CB -0.228 38.138 38.487 -0.202 0.000 0.972 374 N HN 0.013 nan 8.380 nan 0.000 0.456 375 D N 1.750 122.197 120.400 0.078 0.000 2.545 375 D HA -0.001 4.639 4.640 -0.000 0.000 0.227 375 D C -0.147 176.173 176.300 0.034 0.000 1.150 375 D CA 0.087 54.165 54.000 0.131 0.000 1.046 375 D CB -0.290 40.619 40.800 0.182 0.000 1.098 375 D HN 0.187 nan 8.370 nan 0.000 0.502 376 T N -1.086 113.447 114.554 -0.034 0.000 2.883 376 T HA 0.232 4.582 4.350 -0.000 0.000 0.284 376 T C 1.163 175.835 174.700 -0.046 0.000 1.041 376 T CA -0.922 61.143 62.100 -0.059 0.000 1.007 376 T CB 1.005 69.811 68.868 -0.103 0.000 1.220 376 T HN 0.041 nan 8.240 nan 0.000 0.552 377 L N 1.266 122.448 121.223 -0.067 0.000 2.079 377 L HA -0.032 4.308 4.340 -0.000 0.000 0.210 377 L C 1.897 178.772 176.870 0.009 0.000 1.081 377 L CA 2.426 57.223 54.840 -0.072 0.000 0.752 377 L CB -1.056 40.920 42.059 -0.138 0.000 0.896 377 L HN 0.909 nan 8.230 nan 0.000 0.433 378 D N -2.055 118.342 120.400 -0.004 0.000 2.378 378 D HA -0.149 4.491 4.640 -0.000 0.000 0.227 378 D C 1.330 177.645 176.300 0.026 0.000 1.012 378 D CA 0.660 54.674 54.000 0.024 0.000 0.905 378 D CB -0.302 40.486 40.800 -0.020 0.000 0.895 378 D HN 0.269 nan 8.370 nan 0.000 0.532 379 K N -0.034 120.381 120.400 0.025 0.000 2.367 379 K HA 0.155 4.474 4.320 -0.000 0.000 0.194 379 K C 0.533 177.208 176.600 0.125 0.000 1.027 379 K CA -0.305 56.032 56.287 0.082 0.000 1.075 379 K CB 0.828 33.395 32.500 0.110 0.000 0.845 379 K HN 0.246 nan 8.250 nan 0.000 0.529 380 I N 1.688 122.330 120.570 0.121 0.000 2.529 380 I HA 0.027 4.197 4.170 -0.000 0.000 0.284 380 I C 0.552 176.757 176.117 0.147 0.000 1.082 380 I CA -0.130 61.255 61.300 0.142 0.000 1.406 380 I CB 1.010 39.100 38.000 0.151 0.000 1.405 380 I HN -0.121 nan 8.210 nan 0.000 0.548 381 S N 5.955 121.720 115.700 0.108 0.000 2.474 381 S HA 0.292 4.762 4.470 -0.000 0.000 0.321 381 S C 0.954 175.603 174.600 0.081 0.000 1.080 381 S CA -0.689 57.553 58.200 0.071 0.000 1.106 381 S CB 0.799 64.013 63.200 0.023 0.000 0.984 381 S HN 0.578 nan 8.310 nan 0.000 0.464 382 K N 3.081 123.521 120.400 0.067 0.000 2.097 382 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 382 K C 1.863 178.488 176.600 0.041 0.000 1.049 382 K CA 1.481 57.804 56.287 0.060 0.000 0.933 382 K CB -0.072 32.426 32.500 -0.003 0.000 0.717 382 K HN 0.811 nan 8.250 nan 0.000 0.442 383 E N 1.585 121.799 120.200 0.023 0.000 2.085 383 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 383 E C 1.600 178.223 176.600 0.039 0.000 0.994 383 E CA 1.430 57.842 56.400 0.020 0.000 0.801 383 E CB 0.198 29.903 29.700 0.009 0.000 0.743 383 E HN 0.200 nan 8.360 nan 0.000 0.453 384 K N 0.104 120.528 120.400 0.039 0.000 2.062 384 K HA -0.078 4.241 4.320 -0.000 0.000 0.205 384 K C 2.330 179.013 176.600 0.140 0.000 1.051 384 K CA 0.954 57.280 56.287 0.066 0.000 0.941 384 K CB -0.086 32.381 32.500 -0.056 0.000 0.719 384 K HN 0.196 nan 8.250 nan 0.000 0.440 385 L N 1.030 122.323 121.223 0.117 0.000 2.017 385 L HA -0.236 4.103 4.340 -0.000 0.000 0.208 385 L C 2.280 179.199 176.870 0.081 0.000 1.073 385 L CA 1.495 56.405 54.840 0.117 0.000 0.745 385 L CB -0.453 41.671 42.059 0.107 0.000 0.894 385 L HN 0.231 nan 8.230 nan 0.000 0.432 386 D N -0.062 120.374 120.400 0.060 0.000 2.144 386 D HA -0.236 4.404 4.640 -0.000 0.000 0.199 386 D C 1.915 178.236 176.300 0.036 0.000 0.984 386 D CA 1.349 55.369 54.000 0.034 0.000 0.834 386 D CB 0.021 40.833 40.800 0.021 0.000 0.955 386 D HN 0.171 nan 8.370 nan 0.000 0.465 387 N N -0.703 118.032 118.700 0.059 0.000 2.120 387 N HA -0.137 4.602 4.740 -0.000 0.000 0.188 387 N C 1.633 177.179 175.510 0.061 0.000 1.024 387 N CA 1.445 54.533 53.050 0.064 0.000 0.852 387 N CB -0.113 38.429 38.487 0.092 0.000 1.003 387 N HN 0.092 nan 8.380 nan 0.000 0.424 388 V N 0.537 120.500 119.914 0.081 0.000 2.358 388 V HA -0.125 3.995 4.120 -0.000 0.000 0.246 388 V C 2.384 178.466 176.094 -0.021 0.000 1.047 388 V CA 1.736 64.060 62.300 0.040 0.000 1.035 388 V CB -1.154 30.708 31.823 0.064 0.000 0.658 388 V HN 0.482 nan 8.190 nan 0.000 0.452 389 A N -0.027 122.788 122.820 -0.008 0.000 1.902 389 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 389 A C 1.999 179.551 177.584 -0.053 0.000 1.181 389 A CA 2.033 54.047 52.037 -0.039 0.000 0.623 389 A CB -0.608 18.376 19.000 -0.026 0.000 0.818 389 A HN 0.536 nan 8.150 nan 0.000 0.443 390 D N 0.039 120.422 120.400 -0.028 0.000 2.097 390 D HA -0.121 4.519 4.640 -0.000 0.000 0.195 390 D C 1.906 178.188 176.300 -0.030 0.000 0.989 390 D CA 1.304 55.290 54.000 -0.023 0.000 0.827 390 D CB -0.326 40.476 40.800 0.002 0.000 0.966 390 D HN 0.530 nan 8.370 nan 0.000 0.456 391 I N 0.353 120.908 120.570 -0.026 0.000 2.193 391 I HA -0.201 3.969 4.170 -0.000 0.000 0.240 391 I C 2.474 178.532 176.117 -0.098 0.000 1.084 391 I CA 0.575 61.860 61.300 -0.025 0.000 1.365 391 I CB -0.162 37.849 38.000 0.019 0.000 1.064 391 I HN -0.130 nan 8.210 nan 0.000 0.410 392 V N 1.063 120.853 119.914 -0.207 0.000 2.343 392 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 392 V C 2.567 178.464 176.094 -0.327 0.000 1.051 392 V CA 2.177 64.244 62.300 -0.389 0.000 1.036 392 V CB -1.384 30.146 31.823 -0.489 0.000 0.654 392 V HN 0.585 nan 8.190 nan 0.000 0.451 393 G N -0.640 108.044 108.800 -0.194 0.000 2.418 393 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.217 393 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.217 393 G C 1.829 176.682 174.900 -0.079 0.000 1.158 393 G CA 1.176 46.195 45.100 -0.136 0.000 0.771 393 G HN 0.520 nan 8.290 nan 0.000 0.545 394 S N 0.889 116.561 115.700 -0.046 0.000 2.406 394 S HA 0.102 4.572 4.470 -0.000 0.000 0.228 394 S C 2.713 177.334 174.600 0.034 0.000 1.020 394 S CA 0.963 59.183 58.200 0.034 0.000 0.965 394 S CB -0.193 63.025 63.200 0.030 0.000 0.798 394 S HN 0.578 nan 8.310 nan 0.000 0.488 395 A N 1.124 123.926 122.820 -0.031 0.000 1.898 395 A HA -0.012 4.307 4.320 -0.000 0.000 0.216 395 A C 2.299 179.856 177.584 -0.046 0.000 1.181 395 A CA 1.307 53.353 52.037 0.015 0.000 0.620 395 A CB -0.812 18.257 19.000 0.114 0.000 0.819 395 A HN 0.338 nan 8.150 nan 0.000 0.442 396 V N -1.579 118.173 119.914 -0.271 0.000 2.358 396 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 396 V C 2.355 178.424 176.094 -0.043 0.000 1.047 396 V CA 1.983 64.102 62.300 -0.302 0.000 1.035 396 V CB -0.908 30.645 31.823 -0.449 0.000 0.658 396 V HN 0.694 nan 8.190 nan 0.000 0.452 397 Y N 0.785 121.017 120.300 -0.114 0.000 2.293 397 Y HA -0.227 4.323 4.550 -0.000 0.000 0.291 397 Y C 2.644 178.523 175.900 -0.034 0.000 1.137 397 Y CA 1.880 59.947 58.100 -0.056 0.000 1.202 397 Y CB -0.303 38.131 38.460 -0.043 0.000 0.990 397 Y HN 0.324 nan 8.280 nan 0.000 0.537 398 Q N -0.478 119.308 119.800 -0.024 0.000 2.181 398 Q HA -0.204 4.136 4.340 -0.000 0.000 0.205 398 Q C 2.096 178.025 176.000 -0.118 0.000 0.980 398 Q CA 1.689 57.443 55.803 -0.082 0.000 0.862 398 Q CB -0.185 28.549 28.738 -0.006 0.000 0.905 398 Q HN 0.551 nan 8.270 nan 0.000 0.429 399 A N -0.226 122.548 122.820 -0.076 0.000 1.924 399 A HA 0.244 4.564 4.320 -0.000 0.000 0.211 399 A C 2.095 179.619 177.584 -0.099 0.000 1.198 399 A CA 0.807 52.809 52.037 -0.058 0.000 0.657 399 A CB -0.489 18.517 19.000 0.010 0.000 0.852 399 A HN 0.447 nan 8.150 nan 0.000 0.454 400 A N 0.698 123.453 122.820 -0.109 0.000 2.067 400 A HA 0.062 4.382 4.320 -0.000 0.000 0.217 400 A C 1.446 178.918 177.584 -0.186 0.000 1.156 400 A CA 0.442 52.428 52.037 -0.084 0.000 0.683 400 A CB -0.472 18.546 19.000 0.029 0.000 0.808 400 A HN 0.679 nan 8.150 nan 0.000 0.455 401 R N 0.092 120.276 120.500 -0.526 0.000 2.679 401 R HA 0.272 4.612 4.340 -0.000 0.000 0.268 401 R C -2.840 173.302 176.300 -0.263 0.000 1.044 401 R CA -1.317 54.397 56.100 -0.642 0.000 1.105 401 R CB -0.765 28.857 30.300 -1.130 0.000 0.989 401 R HN -0.025 nan 8.270 nan 0.000 0.447 402 P HA 0.111 nan 4.420 nan 0.000 0.265 402 P C -0.259 176.991 177.300 -0.082 0.000 1.193 402 P CA 1.000 64.055 63.100 -0.076 0.000 0.765 402 P CB 0.835 32.515 31.700 -0.033 0.000 0.823 403 G N 1.218 109.982 108.800 -0.060 0.000 2.484 403 G HA2 -0.072 3.887 3.960 -0.000 0.000 0.685 403 G HA3 -0.072 3.887 3.960 -0.000 0.000 0.685 403 G C -0.964 173.905 174.900 -0.052 0.000 1.294 403 G CA -0.911 44.158 45.100 -0.052 0.000 0.879 403 G HN 0.629 nan 8.290 nan 0.000 0.646 404 E N -0.457 119.721 120.200 -0.037 0.000 2.413 404 E HA 0.282 4.631 4.350 -0.000 0.000 0.263 404 E C 0.429 177.007 176.600 -0.037 0.000 1.015 404 E CA -0.688 55.693 56.400 -0.031 0.000 0.916 404 E CB 0.585 30.272 29.700 -0.021 0.000 0.947 404 E HN 0.820 nan 8.360 nan 0.000 0.440 405 L N 5.358 126.563 121.223 -0.031 0.000 2.410 405 L HA 0.203 4.543 4.340 -0.000 0.000 0.273 405 L C -1.238 175.621 176.870 -0.018 0.000 1.144 405 L CA 0.123 54.946 54.840 -0.028 0.000 0.863 405 L CB 1.019 43.069 42.059 -0.015 0.000 1.140 405 L HN 0.315 nan 8.230 nan 0.000 0.463 406 V N 7.183 127.085 119.914 -0.019 0.000 2.569 406 V HA 0.441 4.561 4.120 -0.000 0.000 0.301 406 V C -0.201 175.890 176.094 -0.005 0.000 1.044 406 V CA -0.441 61.853 62.300 -0.011 0.000 0.874 406 V CB 1.675 33.489 31.823 -0.014 0.000 1.002 406 V HN 0.612 nan 8.190 nan 0.000 0.424 407 I N 3.901 124.473 120.570 0.004 0.000 2.382 407 I HA 0.404 4.573 4.170 -0.000 0.000 0.285 407 I C 0.398 176.523 176.117 0.013 0.000 1.007 407 I CA -0.434 60.872 61.300 0.011 0.000 1.142 407 I CB 1.500 39.511 38.000 0.019 0.000 1.289 407 I HN 0.612 nan 8.210 nan 0.000 0.453 408 E N 7.330 127.537 120.200 0.012 0.000 2.383 408 E HA 0.160 4.510 4.350 -0.000 0.000 0.264 408 E C -2.092 174.524 176.600 0.027 0.000 1.050 408 E CA -1.532 54.877 56.400 0.015 0.000 0.896 408 E CB 0.386 30.093 29.700 0.012 0.000 0.982 408 E HN 0.350 nan 8.360 nan 0.000 0.424 409 P HA 0.076 nan 4.420 nan 0.000 0.270 409 P C -0.605 176.726 177.300 0.053 0.000 1.242 409 P CA 0.469 63.593 63.100 0.040 0.000 0.768 409 P CB -0.065 31.652 31.700 0.028 0.000 0.820 410 I N -0.627 119.994 120.570 0.085 0.000 2.752 410 I HA 0.498 4.667 4.170 -0.000 0.000 0.295 410 I C -1.320 174.907 176.117 0.183 0.000 1.219 410 I CA -1.249 60.115 61.300 0.106 0.000 1.030 410 I CB 2.635 40.688 38.000 0.087 0.000 1.259 410 I HN -0.043 nan 8.210 nan 0.000 0.423 411 D N 4.841 125.333 120.400 0.154 0.000 2.210 411 D HA 0.588 5.227 4.640 -0.000 0.000 0.249 411 D C -1.374 175.091 176.300 0.275 0.000 1.062 411 D CA 0.416 54.508 54.000 0.152 0.000 0.891 411 D CB 1.179 42.022 40.800 0.071 0.000 1.186 411 D HN 0.581 nan 8.370 nan 0.000 0.432 412 Y N -0.912 119.421 120.300 0.056 0.000 2.479 412 Y HA 0.548 5.098 4.550 -0.000 0.000 0.338 412 Y C -3.096 172.910 175.900 0.177 0.000 1.055 412 Y CA -3.009 55.146 58.100 0.091 0.000 1.023 412 Y CB 0.574 39.082 38.460 0.080 0.000 1.287 412 Y HN 0.167 nan 8.280 nan 0.000 0.447 413 P HA 0.308 nan 4.420 nan 0.000 0.277 413 P C -0.984 176.307 177.300 -0.015 0.000 1.240 413 P CA -0.534 62.618 63.100 0.087 0.000 0.798 413 P CB 1.894 33.616 31.700 0.037 0.000 0.979 414 R N 1.883 122.215 120.500 -0.279 0.000 2.349 414 R HA 0.426 4.765 4.340 -0.000 0.000 0.299 414 R C -0.201 175.878 176.300 -0.369 0.000 1.027 414 R CA -0.617 55.001 56.100 -0.803 0.000 0.958 414 R CB 0.726 30.561 30.300 -0.776 0.000 1.047 414 R HN 0.514 nan 8.270 nan 0.000 0.468 415 R N 3.885 124.188 120.500 -0.328 0.000 2.515 415 R HA 0.243 4.582 4.340 -0.000 0.000 0.291 415 R C -1.005 175.237 176.300 -0.096 0.000 1.046 415 R CA -0.722 55.283 56.100 -0.158 0.000 0.914 415 R CB 0.901 31.137 30.300 -0.105 0.000 1.191 415 R HN 0.883 nan 8.270 nan 0.000 0.435 416 N N 0.000 118.664 118.700 -0.060 0.000 1.763 416 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 416 N CA 0.000 53.042 53.050 -0.013 0.000 0.885 416 N CB 0.000 38.465 38.487 -0.036 0.000 1.341 416 N HN 0.000 nan 8.380 nan 0.000 0.667