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 3n7u_1_A DATA FIRST_RESID 28 DATA SEQUENCE DSKKIVGVFY KANEYATKNP NFLGCVENAL GIRDWLESQG HQYIVTDDKE DATA SEQUENCE GPDCELEKHI PDLHVLISTP FHPAYVTAER IKKAKNLKLL LTAGIGSDHI DATA SEQUENCE DLQAAAAAGL TVAEVTGSNV VSVAEDELMR ILILMRNFVP GYNQVVKGEW DATA SEQUENCE NVAGIAYRAY DLEGKTIGTV GAGRIGKLLL QRLKPFGCNL LYHDRLQMAP DATA SEQUENCE ELEKETGAKF VEDLNEMLPK CDVIVINMPL TEKTRGMFNK ELIGKLKKGV DATA SEQUENCE LIVNNARGAI MERQAVVDAV ESGHIGGYSG DVWDPQPAPK DHPWRYMPNQ DATA SEQUENCE AMTPHTSGTT IDAQLRYAAG TKDMLERYFK GEDFPTENYI VKDGELAPQY DATA SEQUENCE R 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 28 D HA 0.000 nan 4.640 nan 0.000 0.175 28 D C 0.000 176.262 176.300 -0.063 0.000 2.045 28 D CA 0.000 53.957 54.000 -0.072 0.000 0.868 28 D CB 0.000 40.747 40.800 -0.088 0.000 0.688 29 S N 1.998 117.649 115.700 -0.083 0.000 2.499 29 S HA 0.277 4.747 4.470 -0.000 0.000 0.275 29 S C 0.232 174.864 174.600 0.052 0.000 1.257 29 S CA -0.101 58.073 58.200 -0.042 0.000 1.050 29 S CB 1.361 64.506 63.200 -0.092 0.000 0.937 29 S HN -0.014 nan 8.310 nan 0.000 0.490 30 K N 2.369 122.925 120.400 0.260 0.000 2.156 30 K HA 0.355 4.675 4.320 -0.000 0.000 0.250 30 K C -0.217 176.568 176.600 0.308 0.000 0.955 30 K CA -0.798 55.547 56.287 0.097 0.000 0.855 30 K CB 1.626 34.136 32.500 0.018 0.000 1.101 30 K HN 0.449 nan 8.250 nan 0.000 0.434 31 K N 3.226 123.953 120.400 0.544 0.000 2.262 31 K HA 0.240 4.560 4.320 -0.000 0.000 0.282 31 K C -0.585 176.175 176.600 0.267 0.000 1.066 31 K CA -0.402 56.084 56.287 0.332 0.000 0.901 31 K CB 0.406 33.046 32.500 0.234 0.000 1.089 31 K HN 0.418 nan 8.250 nan 0.000 0.476 32 I N 5.379 126.088 120.570 0.231 0.000 2.362 32 I HA 0.253 4.423 4.170 -0.000 0.000 0.289 32 I C -0.335 175.926 176.117 0.239 0.000 0.994 32 I CA -0.990 60.450 61.300 0.234 0.000 1.158 32 I CB 1.381 39.532 38.000 0.252 0.000 1.315 32 I HN 0.298 nan 8.210 nan 0.000 0.451 33 V N 4.984 124.972 119.914 0.124 0.000 2.459 33 V HA 0.723 4.843 4.120 -0.000 0.000 0.295 33 V C 0.569 176.646 176.094 -0.029 0.000 1.029 33 V CA -0.508 61.791 62.300 -0.003 0.000 0.874 33 V CB 1.858 33.646 31.823 -0.059 0.000 0.985 33 V HN 0.929 nan 8.190 nan 0.000 0.438 34 G N 2.904 111.598 108.800 -0.176 0.000 2.415 34 G HA2 0.609 4.569 3.960 -0.000 0.000 0.327 34 G HA3 0.609 4.569 3.960 -0.000 0.000 0.327 34 G C -1.208 173.223 174.900 -0.781 0.000 1.182 34 G CA -0.468 44.329 45.100 -0.504 0.000 0.924 34 G HN 0.545 nan 8.290 nan 0.000 0.470 35 V N 2.682 122.001 119.914 -0.992 0.000 2.349 35 V HA 0.554 4.673 4.120 -0.000 0.000 0.284 35 V C -0.780 174.905 176.094 -0.682 0.000 1.014 35 V CA -0.427 61.512 62.300 -0.602 0.000 0.826 35 V CB -0.043 31.611 31.823 -0.281 0.000 1.009 35 V HN 0.625 nan 8.190 nan 0.000 0.431 36 F N 2.716 122.665 119.950 -0.002 0.000 2.654 36 F HA 0.655 5.182 4.527 -0.000 0.000 0.334 36 F C -0.113 175.631 175.800 -0.094 0.000 1.078 36 F CA -1.432 56.520 58.000 -0.080 0.000 0.986 36 F CB 1.473 40.323 39.000 -0.251 0.000 1.362 36 F HN 0.536 nan 8.300 nan 0.000 0.498 37 Y N 0.089 120.463 120.300 0.122 0.000 2.346 37 Y HA 0.443 4.992 4.550 -0.000 0.000 0.330 37 Y C -0.234 175.591 175.900 -0.125 0.000 1.178 37 Y CA -1.526 56.451 58.100 -0.205 0.000 1.331 37 Y CB 0.268 38.675 38.460 -0.089 0.000 1.253 37 Y HN 0.447 nan 8.280 nan 0.000 0.529 38 K N 2.135 122.524 120.400 -0.017 0.000 2.297 38 K HA 0.566 4.886 4.320 -0.000 0.000 0.286 38 K C 0.273 176.933 176.600 0.100 0.000 1.053 38 K CA 0.214 56.503 56.287 0.003 0.000 0.940 38 K CB 0.881 33.370 32.500 -0.018 0.000 1.019 38 K HN 0.925 nan 8.250 nan 0.000 0.475 39 A N 4.165 127.020 122.820 0.059 0.000 2.063 39 A HA 0.060 4.379 4.320 -0.000 0.000 0.211 39 A C 0.541 178.250 177.584 0.209 0.000 1.177 39 A CA 0.461 52.602 52.037 0.173 0.000 0.759 39 A CB -0.422 18.576 19.000 -0.002 0.000 0.857 39 A HN 1.072 nan 8.150 nan 0.000 0.468 40 N N 0.086 118.833 118.700 0.078 0.000 1.188 40 N HA -0.253 4.487 4.740 -0.000 0.000 0.128 40 N C 1.018 176.523 175.510 -0.010 0.000 0.759 40 N CA 1.706 54.773 53.050 0.029 0.000 0.905 40 N CB -1.044 37.462 38.487 0.032 0.000 1.156 40 N HN 0.674 nan 8.380 nan 0.000 0.553 41 E N 1.505 121.629 120.200 -0.127 0.000 2.347 41 E HA -0.131 4.219 4.350 -0.000 0.000 0.196 41 E C 1.556 178.041 176.600 -0.192 0.000 1.008 41 E CA 1.328 57.610 56.400 -0.197 0.000 0.852 41 E CB -0.542 28.995 29.700 -0.272 0.000 0.783 41 E HN 0.764 nan 8.360 nan 0.000 0.505 42 Y N 1.245 121.617 120.300 0.119 0.000 2.509 42 Y HA 0.099 4.649 4.550 -0.000 0.000 0.293 42 Y C 2.744 178.849 175.900 0.342 0.000 1.133 42 Y CA 0.591 58.822 58.100 0.218 0.000 1.283 42 Y CB -0.315 38.314 38.460 0.281 0.000 1.001 42 Y HN 0.153 nan 8.280 nan 0.000 0.555 43 A N 0.176 123.159 122.820 0.272 0.000 1.986 43 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 43 A C 2.148 179.841 177.584 0.181 0.000 1.171 43 A CA 2.310 54.405 52.037 0.097 0.000 0.640 43 A CB -1.101 17.867 19.000 -0.054 0.000 0.811 43 A HN 0.466 nan 8.150 nan 0.000 0.451 44 T N -3.742 110.903 114.554 0.151 0.000 3.069 44 T HA 0.251 4.601 4.350 -0.000 0.000 0.252 44 T C 1.214 175.985 174.700 0.118 0.000 1.053 44 T CA 0.379 62.543 62.100 0.108 0.000 0.964 44 T CB 0.108 69.006 68.868 0.049 0.000 1.005 44 T HN 0.473 nan 8.240 nan 0.000 0.532 45 K N 1.413 121.912 120.400 0.166 0.000 2.432 45 K HA 0.125 4.445 4.320 -0.000 0.000 0.196 45 K C 0.644 177.281 176.600 0.061 0.000 1.038 45 K CA 0.253 56.603 56.287 0.104 0.000 0.986 45 K CB 0.097 32.669 32.500 0.119 0.000 0.782 45 K HN 0.308 nan 8.250 nan 0.000 0.485 46 N N -0.060 118.693 118.700 0.089 0.000 2.260 46 N HA 0.127 4.867 4.740 -0.000 0.000 0.293 46 N C -2.438 173.120 175.510 0.081 0.000 1.058 46 N CA -1.706 51.368 53.050 0.039 0.000 0.824 46 N CB 2.003 40.462 38.487 -0.047 0.000 1.551 46 N HN -0.269 nan 8.380 nan 0.000 0.475 47 P HA 0.046 nan 4.420 nan 0.000 0.226 47 P C -0.088 177.233 177.300 0.035 0.000 1.153 47 P CA 0.800 63.922 63.100 0.036 0.000 0.777 47 P CB 0.444 32.151 31.700 0.012 0.000 0.794 48 N N -0.575 118.145 118.700 0.034 0.000 2.328 48 N HA 0.090 4.830 4.740 -0.000 0.000 0.247 48 N C -0.370 175.182 175.510 0.070 0.000 1.165 48 N CA -0.344 52.714 53.050 0.013 0.000 0.873 48 N CB -0.389 38.080 38.487 -0.031 0.000 1.125 48 N HN 0.238 nan 8.380 nan 0.000 0.513 49 F N 1.994 121.898 119.950 -0.076 0.000 2.659 49 F HA 0.163 4.690 4.527 -0.000 0.000 0.360 49 F C 0.795 176.527 175.800 -0.113 0.000 1.218 49 F CA -0.417 57.539 58.000 -0.074 0.000 1.317 49 F CB -0.018 38.967 39.000 -0.024 0.000 1.697 49 F HN -0.001 nan 8.300 nan 0.000 0.637 50 L N 2.539 123.778 121.223 0.028 0.000 2.492 50 L HA 0.018 4.358 4.340 -0.000 0.000 0.223 50 L C 2.441 179.134 176.870 -0.297 0.000 1.132 50 L CA 0.738 55.481 54.840 -0.162 0.000 0.850 50 L CB -0.439 41.514 42.059 -0.177 0.000 0.966 50 L HN 0.564 nan 8.230 nan 0.000 0.454 51 G N -0.214 108.457 108.800 -0.215 0.000 2.712 51 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.212 51 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.212 51 G C 0.766 175.155 174.900 -0.853 0.000 1.142 51 G CA 0.268 45.170 45.100 -0.330 0.000 0.789 51 G HN 0.486 nan 8.290 nan 0.000 0.535 52 C N -1.664 117.106 119.300 -0.883 0.000 2.403 52 C HA 0.604 5.064 4.460 -0.000 0.000 0.361 52 C C 1.980 176.675 174.990 -0.491 0.000 1.274 52 C CA -0.691 57.802 59.018 -0.875 0.000 2.433 52 C CB 1.094 28.338 27.740 -0.827 0.000 2.323 52 C HN 0.066 nan 8.230 nan 0.000 0.614 53 V N 1.719 121.491 119.914 -0.238 0.000 2.250 53 V HA -0.225 3.895 4.120 -0.000 0.000 0.250 53 V C 2.678 178.712 176.094 -0.100 0.000 1.060 53 V CA 2.795 65.069 62.300 -0.044 0.000 1.030 53 V CB -0.989 30.812 31.823 -0.036 0.000 0.643 53 V HN 0.968 nan 8.190 nan 0.000 0.445 54 E N 0.362 120.469 120.200 -0.155 0.000 2.110 54 E HA -0.154 4.195 4.350 -0.000 0.000 0.193 54 E C 1.958 178.484 176.600 -0.123 0.000 0.988 54 E CA 1.388 57.715 56.400 -0.123 0.000 0.804 54 E CB -0.271 29.357 29.700 -0.119 0.000 0.745 54 E HN 0.593 nan 8.360 nan 0.000 0.458 55 N N -0.429 118.151 118.700 -0.201 0.000 2.388 55 N HA 0.126 4.866 4.740 -0.000 0.000 0.176 55 N C 0.173 175.600 175.510 -0.139 0.000 1.062 55 N CA 0.861 53.813 53.050 -0.162 0.000 0.895 55 N CB 0.497 38.866 38.487 -0.197 0.000 1.018 55 N HN 0.104 nan 8.380 nan 0.000 0.456 56 A N 1.271 123.956 122.820 -0.225 0.000 2.640 56 A HA -0.210 4.110 4.320 -0.000 0.000 0.300 56 A C 0.824 178.342 177.584 -0.110 0.000 1.499 56 A CA 0.943 52.884 52.037 -0.160 0.000 0.759 56 A CB -2.305 16.777 19.000 0.138 0.000 1.048 56 A HN 0.476 nan 8.150 nan 0.000 0.450 57 L N -4.456 116.583 121.223 -0.307 0.000 4.937 57 L HA -0.298 4.042 4.340 -0.000 0.000 0.422 57 L C 1.706 178.515 176.870 -0.102 0.000 1.059 57 L CA 0.845 55.568 54.840 -0.195 0.000 1.111 57 L CB -1.957 40.028 42.059 -0.122 0.000 2.033 57 L HN 2.410 nan 8.230 nan 0.000 0.708 58 G N 0.508 109.275 108.800 -0.054 0.000 2.162 58 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.260 58 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.260 58 G C 0.532 175.439 174.900 0.013 0.000 0.976 58 G CA 0.650 45.733 45.100 -0.028 0.000 0.655 58 G HN 0.871 nan 8.290 nan 0.000 0.533 59 I N -2.428 118.176 120.570 0.057 0.000 4.018 59 I HA 0.419 4.589 4.170 -0.000 0.000 0.337 59 I C 2.052 178.256 176.117 0.145 0.000 1.327 59 I CA 0.519 61.864 61.300 0.074 0.000 1.100 59 I CB -0.066 37.926 38.000 -0.014 0.000 1.025 59 I HN 0.130 nan 8.210 nan 0.000 0.396 60 R N 2.108 122.751 120.500 0.238 0.000 2.094 60 R HA -0.218 4.122 4.340 -0.000 0.000 0.239 60 R C 1.586 178.015 176.300 0.215 0.000 1.137 60 R CA 2.824 59.123 56.100 0.332 0.000 0.943 60 R CB -0.261 30.272 30.300 0.389 0.000 0.850 60 R HN 0.367 nan 8.270 nan 0.000 0.433 61 D N -0.606 119.905 120.400 0.185 0.000 2.097 61 D HA -0.207 4.433 4.640 -0.000 0.000 0.195 61 D C 1.431 177.833 176.300 0.171 0.000 0.989 61 D CA 1.280 55.369 54.000 0.149 0.000 0.827 61 D CB -0.616 40.259 40.800 0.125 0.000 0.966 61 D HN 0.432 nan 8.370 nan 0.000 0.456 62 W N 1.519 122.831 121.300 0.020 0.000 2.338 62 W HA -0.127 4.533 4.660 -0.000 0.000 0.304 62 W C 2.022 178.563 176.519 0.036 0.000 1.212 62 W CA 1.216 58.575 57.345 0.024 0.000 1.264 62 W CB -0.374 29.099 29.460 0.023 0.000 1.142 62 W HN -0.087 nan 8.180 nan 0.000 0.512 63 L N 0.286 121.607 121.223 0.163 0.000 1.994 63 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 63 L C 2.479 179.331 176.870 -0.030 0.000 1.071 63 L CA 1.946 56.798 54.840 0.021 0.000 0.745 63 L CB -0.954 41.114 42.059 0.016 0.000 0.892 63 L HN 0.023 nan 8.230 nan 0.000 0.431 64 E N -0.233 119.980 120.200 0.021 0.000 2.150 64 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 64 E C 2.237 178.788 176.600 -0.082 0.000 0.985 64 E CA 1.394 57.793 56.400 -0.002 0.000 0.814 64 E CB -0.073 29.660 29.700 0.055 0.000 0.752 64 E HN 0.508 nan 8.360 nan 0.000 0.466 65 S N 0.666 116.309 115.700 -0.095 0.000 2.442 65 S HA -0.187 4.283 4.470 -0.000 0.000 0.236 65 S C 1.722 176.189 174.600 -0.222 0.000 1.007 65 S CA 0.914 59.037 58.200 -0.128 0.000 0.965 65 S CB -0.084 63.056 63.200 -0.099 0.000 0.773 65 S HN 0.225 nan 8.310 nan 0.000 0.504 66 Q N 0.238 119.838 119.800 -0.333 0.000 2.360 66 Q HA 0.356 4.695 4.340 -0.000 0.000 0.202 66 Q C 1.299 176.938 176.000 -0.600 0.000 0.915 66 Q CA 0.255 55.769 55.803 -0.481 0.000 0.943 66 Q CB 0.330 28.696 28.738 -0.620 0.000 1.064 66 Q HN 0.773 nan 8.270 nan 0.000 0.511 67 G N 0.612 109.159 108.800 -0.420 0.000 2.175 67 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.244 67 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.244 67 G C -0.053 174.634 174.900 -0.355 0.000 0.982 67 G CA -0.276 44.613 45.100 -0.351 0.000 0.641 67 G HN 0.391 nan 8.290 nan 0.000 0.527 68 H N 0.505 119.478 119.070 -0.162 0.000 2.707 68 H HA 0.384 4.940 4.556 -0.000 0.000 0.359 68 H C 0.666 175.997 175.328 0.005 0.000 1.113 68 H CA 0.483 56.478 56.048 -0.089 0.000 1.422 68 H CB 0.802 30.494 29.762 -0.117 0.000 1.443 68 H HN 0.501 nan 8.280 nan 0.000 0.591 69 Q N 1.854 121.767 119.800 0.188 0.000 2.256 69 Q HA 0.141 4.481 4.340 -0.000 0.000 0.254 69 Q C -1.506 174.644 176.000 0.251 0.000 0.916 69 Q CA -0.600 55.304 55.803 0.169 0.000 0.932 69 Q CB 0.526 29.342 28.738 0.130 0.000 1.207 69 Q HN 0.506 nan 8.270 nan 0.000 0.426 70 Y N 5.418 125.760 120.300 0.069 0.000 2.338 70 Y HA 0.436 4.986 4.550 -0.000 0.000 0.328 70 Y C -1.318 174.587 175.900 0.009 0.000 0.965 70 Y CA -1.396 56.741 58.100 0.062 0.000 1.208 70 Y CB 0.708 39.229 38.460 0.102 0.000 1.132 70 Y HN 0.571 nan 8.280 nan 0.000 0.469 71 I N 6.912 127.418 120.570 -0.107 0.000 2.339 71 I HA 0.435 4.605 4.170 -0.000 0.000 0.290 71 I C -0.878 175.008 176.117 -0.385 0.000 0.994 71 I CA -0.884 60.250 61.300 -0.277 0.000 1.191 71 I CB 1.364 39.129 38.000 -0.393 0.000 1.343 71 I HN 0.213 nan 8.210 nan 0.000 0.458 72 V N 4.825 124.519 119.914 -0.368 0.000 2.495 72 V HA 0.670 4.789 4.120 -0.000 0.000 0.298 72 V C -0.104 175.884 176.094 -0.178 0.000 1.031 72 V CA -0.360 61.744 62.300 -0.327 0.000 0.871 72 V CB 1.943 33.564 31.823 -0.336 0.000 0.988 72 V HN 0.808 nan 8.190 nan 0.000 0.432 73 T N 1.228 115.689 114.554 -0.154 0.000 2.853 73 T HA 0.328 4.677 4.350 -0.000 0.000 0.311 73 T C -0.338 174.336 174.700 -0.044 0.000 1.307 73 T CA -0.163 61.893 62.100 -0.072 0.000 1.019 73 T CB 1.991 70.837 68.868 -0.036 0.000 1.264 73 T HN 0.874 nan 8.240 nan 0.000 0.497 74 D N 1.045 121.452 120.400 0.011 0.000 2.398 74 D HA 0.109 4.749 4.640 -0.000 0.000 0.210 74 D C 0.053 176.465 176.300 0.187 0.000 1.094 74 D CA -0.132 53.923 54.000 0.090 0.000 0.839 74 D CB 0.255 41.029 40.800 -0.042 0.000 0.963 74 D HN 0.428 nan 8.370 nan 0.000 0.506 75 D N 1.416 121.870 120.400 0.090 0.000 2.468 75 D HA 0.085 4.725 4.640 -0.000 0.000 0.218 75 D C 0.862 177.195 176.300 0.054 0.000 1.155 75 D CA -0.224 53.824 54.000 0.080 0.000 0.924 75 D CB 0.642 41.473 40.800 0.052 0.000 1.029 75 D HN 0.250 nan 8.370 nan 0.000 0.515 76 K N 1.561 121.989 120.400 0.047 0.000 2.438 76 K HA 0.221 4.541 4.320 -0.000 0.000 0.206 76 K C -0.150 176.456 176.600 0.011 0.000 1.081 76 K CA -0.387 55.899 56.287 -0.002 0.000 1.053 76 K CB 0.679 33.126 32.500 -0.088 0.000 0.908 76 K HN 0.015 nan 8.250 nan 0.000 0.556 77 E N 1.687 121.905 120.200 0.030 0.000 2.151 77 E HA 0.421 4.771 4.350 -0.000 0.000 0.275 77 E C 0.239 176.860 176.600 0.035 0.000 0.936 77 E CA 0.137 56.563 56.400 0.043 0.000 0.777 77 E CB 1.558 31.288 29.700 0.050 0.000 1.108 77 E HN 0.460 nan 8.360 nan 0.000 0.401 78 G N 4.571 113.392 108.800 0.034 0.000 2.756 78 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.678 78 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.678 78 G C -1.876 173.033 174.900 0.015 0.000 1.349 78 G CA -0.453 44.660 45.100 0.023 0.000 0.847 78 G HN 0.394 nan 8.290 nan 0.000 0.548 79 P HA 0.044 nan 4.420 nan 0.000 0.220 79 P C 0.588 177.885 177.300 -0.005 0.000 1.148 79 P CA 1.710 64.811 63.100 0.001 0.000 0.803 79 P CB 0.163 31.862 31.700 -0.000 0.000 0.782 80 D N -0.913 119.485 120.400 -0.002 0.000 2.433 80 D HA 0.044 4.684 4.640 -0.000 0.000 0.211 80 D C 0.770 177.067 176.300 -0.005 0.000 1.114 80 D CA -0.015 53.981 54.000 -0.007 0.000 0.837 80 D CB 0.059 40.857 40.800 -0.003 0.000 0.984 80 D HN 0.258 nan 8.370 nan 0.000 0.505 81 C N 0.657 119.959 119.300 0.003 0.000 2.700 81 C HA 0.229 4.689 4.460 -0.000 0.000 0.397 81 C C 2.260 177.253 174.990 0.005 0.000 1.301 81 C CA -0.549 58.475 59.018 0.011 0.000 2.219 81 C CB 1.748 29.502 27.740 0.023 0.000 2.699 81 C HN 0.111 nan 8.230 nan 0.000 0.669 82 E N 0.514 120.728 120.200 0.024 0.000 2.085 82 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 82 E C 1.666 178.324 176.600 0.096 0.000 0.994 82 E CA 1.751 58.180 56.400 0.048 0.000 0.801 82 E CB -0.329 29.419 29.700 0.080 0.000 0.743 82 E HN 0.773 nan 8.360 nan 0.000 0.453 83 L N 0.987 122.255 121.223 0.076 0.000 2.012 83 L HA -0.183 4.156 4.340 -0.000 0.000 0.210 83 L C 2.180 179.084 176.870 0.057 0.000 1.073 83 L CA 2.330 57.218 54.840 0.080 0.000 0.748 83 L CB -0.808 41.266 42.059 0.024 0.000 0.891 83 L HN 0.132 nan 8.230 nan 0.000 0.431 84 E N -0.083 120.125 120.200 0.012 0.000 2.153 84 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 84 E C 2.120 178.683 176.600 -0.061 0.000 0.988 84 E CA 1.341 57.734 56.400 -0.012 0.000 0.811 84 E CB -0.141 29.552 29.700 -0.012 0.000 0.746 84 E HN 0.496 nan 8.360 nan 0.000 0.466 85 K N -0.706 119.612 120.400 -0.137 0.000 2.160 85 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 85 K C 1.482 177.860 176.600 -0.371 0.000 1.047 85 K CA 1.432 57.537 56.287 -0.304 0.000 0.930 85 K CB -0.166 32.029 32.500 -0.507 0.000 0.720 85 K HN 0.398 nan 8.250 nan 0.000 0.450 86 H N -0.844 118.218 119.070 -0.013 0.000 2.705 86 H HA 0.175 4.731 4.556 -0.000 0.000 0.269 86 H C 1.931 177.246 175.328 -0.022 0.000 0.998 86 H CA 0.018 56.057 56.048 -0.015 0.000 1.193 86 H CB 0.338 30.093 29.762 -0.013 0.000 1.485 86 H HN 0.089 nan 8.280 nan 0.000 0.521 87 I N 1.717 122.323 120.570 0.060 0.000 2.194 87 I HA -0.194 3.976 4.170 -0.000 0.000 0.246 87 I C -0.586 175.534 176.117 0.005 0.000 1.093 87 I CA 1.282 62.598 61.300 0.027 0.000 1.355 87 I CB -0.924 37.085 38.000 0.015 0.000 1.046 87 I HN 0.146 nan 8.210 nan 0.000 0.413 88 P HA -0.161 nan 4.420 nan 0.000 0.219 88 P C 0.434 177.717 177.300 -0.029 0.000 1.146 88 P CA 1.611 64.701 63.100 -0.015 0.000 0.808 88 P CB -0.123 31.567 31.700 -0.018 0.000 0.779 89 D N -2.478 117.904 120.400 -0.031 0.000 2.520 89 D HA 0.042 4.682 4.640 -0.000 0.000 0.223 89 D C 0.426 176.619 176.300 -0.178 0.000 1.186 89 D CA -0.257 53.691 54.000 -0.087 0.000 0.821 89 D CB -1.077 39.696 40.800 -0.046 0.000 1.072 89 D HN 0.052 nan 8.370 nan 0.000 0.518 90 L N -0.941 120.228 121.223 -0.089 0.000 2.467 90 L HA 0.393 4.733 4.340 -0.000 0.000 0.270 90 L C 0.875 177.635 176.870 -0.183 0.000 1.205 90 L CA 0.167 54.954 54.840 -0.088 0.000 0.828 90 L CB 0.184 42.253 42.059 0.016 0.000 1.101 90 L HN -0.218 nan 8.230 nan 0.000 0.479 91 H N 0.641 119.765 119.070 0.089 0.000 2.439 91 H HA 0.382 4.938 4.556 -0.000 0.000 0.299 91 H C -0.252 175.121 175.328 0.075 0.000 1.033 91 H CA 0.676 56.786 56.048 0.104 0.000 1.348 91 H CB 0.597 30.448 29.762 0.148 0.000 1.449 91 H HN 0.394 nan 8.280 nan 0.000 0.544 92 V N 1.722 121.741 119.914 0.176 0.000 2.604 92 V HA 0.242 4.362 4.120 -0.000 0.000 0.305 92 V C -1.213 174.906 176.094 0.042 0.000 1.043 92 V CA -0.896 61.438 62.300 0.057 0.000 0.888 92 V CB 2.471 34.306 31.823 0.019 0.000 0.995 92 V HN 0.067 nan 8.190 nan 0.000 0.429 93 L N 6.365 127.589 121.223 0.002 0.000 2.343 93 L HA 0.645 4.985 4.340 -0.000 0.000 0.278 93 L C -0.658 176.197 176.870 -0.026 0.000 0.996 93 L CA 0.032 54.866 54.840 -0.011 0.000 0.831 93 L CB 1.228 43.277 42.059 -0.017 0.000 1.232 93 L HN 0.558 nan 8.230 nan 0.000 0.413 94 I N 4.697 125.251 120.570 -0.027 0.000 2.304 94 I HA 0.412 4.582 4.170 -0.000 0.000 0.291 94 I C 0.364 176.405 176.117 -0.127 0.000 1.018 94 I CA -0.244 61.048 61.300 -0.013 0.000 1.260 94 I CB 1.149 39.225 38.000 0.127 0.000 1.390 94 I HN 0.760 nan 8.210 nan 0.000 0.475 95 S N 3.668 119.338 115.700 -0.051 0.000 2.766 95 S HA 0.715 5.185 4.470 -0.000 0.000 0.307 95 S C -0.296 174.285 174.600 -0.033 0.000 1.121 95 S CA -0.681 57.464 58.200 -0.091 0.000 0.980 95 S CB 2.385 65.605 63.200 0.034 0.000 1.159 95 S HN 0.557 nan 8.310 nan 0.000 0.546 96 T N 0.768 115.246 114.554 -0.126 0.000 3.032 96 T HA 0.528 4.878 4.350 -0.000 0.000 0.312 96 T C -2.532 171.897 174.700 -0.451 0.000 1.078 96 T CA -1.450 60.568 62.100 -0.137 0.000 1.028 96 T CB 1.476 70.504 68.868 0.267 0.000 1.091 96 T HN 0.339 nan 8.240 nan 0.000 0.457 97 P HA 0.018 nan 4.420 nan 0.000 0.218 97 P C 1.006 177.925 177.300 -0.636 0.000 1.148 97 P CA 0.979 63.612 63.100 -0.777 0.000 0.822 97 P CB -0.066 31.225 31.700 -0.682 0.000 0.784 98 F N -2.571 117.250 119.950 -0.215 0.000 2.365 98 F HA -0.007 4.519 4.527 -0.000 0.000 0.300 98 F C 1.286 177.151 175.800 0.108 0.000 1.090 98 F CA 0.940 58.819 58.000 -0.202 0.000 1.408 98 F CB -1.204 37.680 39.000 -0.194 0.000 1.060 98 F HN 0.041 nan 8.300 nan 0.000 0.534 99 H N 0.541 119.664 119.070 0.087 0.000 2.490 99 H HA 0.303 4.859 4.556 -0.000 0.000 0.230 99 H C -2.929 172.306 175.328 -0.156 0.000 1.417 99 H CA -2.713 53.363 56.048 0.046 0.000 1.449 99 H CB 0.665 30.546 29.762 0.199 0.000 1.649 99 H HN -0.228 nan 8.280 nan 0.000 0.519 100 P HA 0.268 nan 4.420 nan 0.000 0.287 100 P C -0.347 176.503 177.300 -0.750 0.000 1.281 100 P CA -0.410 62.273 63.100 -0.696 0.000 0.781 100 P CB 1.409 32.624 31.700 -0.808 0.000 0.903 101 A N 4.556 127.103 122.820 -0.455 0.000 2.454 101 A HA 0.239 4.559 4.320 -0.000 0.000 0.260 101 A C -0.644 176.826 177.584 -0.191 0.000 1.106 101 A CA -0.105 51.761 52.037 -0.284 0.000 0.780 101 A CB -0.545 18.374 19.000 -0.134 0.000 1.044 101 A HN 0.447 nan 8.150 nan 0.000 0.498 102 Y N 2.320 122.636 120.300 0.027 0.000 2.535 102 Y HA 0.330 4.880 4.550 -0.000 0.000 0.349 102 Y C 0.242 176.158 175.900 0.026 0.000 0.992 102 Y CA -0.451 57.679 58.100 0.050 0.000 1.248 102 Y CB 1.106 39.580 38.460 0.024 0.000 1.124 102 Y HN 0.349 nan 8.280 nan 0.000 0.520 103 V N 4.606 124.613 119.914 0.154 0.000 2.267 103 V HA 0.113 4.233 4.120 -0.000 0.000 0.254 103 V C 0.548 176.678 176.094 0.059 0.000 1.144 103 V CA -0.710 61.633 62.300 0.070 0.000 0.992 103 V CB -0.665 31.170 31.823 0.020 0.000 1.199 103 V HN 0.851 nan 8.190 nan 0.000 0.493 104 T N 1.441 116.034 114.554 0.064 0.000 2.766 104 T HA 0.447 4.797 4.350 -0.000 0.000 0.295 104 T C 1.594 176.307 174.700 0.021 0.000 1.024 104 T CA 0.115 62.239 62.100 0.040 0.000 1.018 104 T CB 1.515 70.403 68.868 0.034 0.000 1.002 104 T HN 0.528 nan 8.240 nan 0.000 0.532 105 A N 0.156 122.984 122.820 0.012 0.000 1.917 105 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 105 A C 2.315 179.904 177.584 0.007 0.000 1.182 105 A CA 2.124 54.165 52.037 0.007 0.000 0.633 105 A CB -1.219 17.784 19.000 0.004 0.000 0.819 105 A HN 1.061 nan 8.150 nan 0.000 0.448 106 E N -0.468 119.737 120.200 0.008 0.000 2.072 106 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 106 E C 2.227 178.832 176.600 0.009 0.000 0.985 106 E CA 1.092 57.497 56.400 0.007 0.000 0.801 106 E CB -0.127 29.576 29.700 0.006 0.000 0.750 106 E HN 0.601 nan 8.360 nan 0.000 0.452 107 R N 0.054 120.562 120.500 0.014 0.000 2.092 107 R HA -0.065 4.275 4.340 -0.000 0.000 0.231 107 R C 2.474 178.780 176.300 0.010 0.000 1.119 107 R CA 1.433 57.541 56.100 0.014 0.000 0.970 107 R CB -0.231 30.083 30.300 0.023 0.000 0.864 107 R HN 0.300 nan 8.270 nan 0.000 0.440 108 I N 0.802 121.377 120.570 0.010 0.000 2.226 108 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 108 I C 2.585 178.706 176.117 0.007 0.000 1.100 108 I CA 1.238 62.542 61.300 0.007 0.000 1.374 108 I CB -0.183 37.819 38.000 0.005 0.000 1.057 108 I HN 0.125 nan 8.210 nan 0.000 0.413 109 K N 1.192 121.595 120.400 0.006 0.000 2.097 109 K HA -0.195 4.125 4.320 -0.000 0.000 0.206 109 K C 2.038 178.641 176.600 0.004 0.000 1.049 109 K CA 1.360 57.650 56.287 0.005 0.000 0.933 109 K CB 0.047 32.550 32.500 0.004 0.000 0.717 109 K HN 0.224 nan 8.250 nan 0.000 0.442 110 K N -0.105 120.296 120.400 0.003 0.000 2.288 110 K HA -0.016 4.303 4.320 -0.000 0.000 0.201 110 K C 0.434 177.033 176.600 -0.001 0.000 1.048 110 K CA 0.550 56.838 56.287 0.000 0.000 0.956 110 K CB 0.151 32.651 32.500 -0.000 0.000 0.746 110 K HN 0.067 nan 8.250 nan 0.000 0.461 111 A N 1.985 124.805 122.820 0.001 0.000 2.922 111 A HA 0.094 4.414 4.320 -0.000 0.000 0.298 111 A C 0.659 178.241 177.584 -0.004 0.000 1.588 111 A CA -0.238 51.797 52.037 -0.003 0.000 1.288 111 A CB 0.119 19.120 19.000 0.002 0.000 1.130 111 A HN 0.008 nan 8.150 nan 0.000 0.557 112 K N 1.071 121.465 120.400 -0.009 0.000 2.147 112 K HA -0.098 4.222 4.320 -0.000 0.000 0.205 112 K C 0.518 177.118 176.600 -0.001 0.000 1.049 112 K CA 1.266 57.551 56.287 -0.003 0.000 0.936 112 K CB 0.009 32.507 32.500 -0.003 0.000 0.722 112 K HN 0.609 nan 8.250 nan 0.000 0.446 113 N N 0.552 119.231 118.700 -0.035 0.000 2.299 113 N HA -0.003 4.737 4.740 -0.000 0.000 0.187 113 N C 0.230 175.751 175.510 0.019 0.000 1.099 113 N CA -0.205 52.822 53.050 -0.038 0.000 0.867 113 N CB 0.001 38.332 38.487 -0.260 0.000 0.974 113 N HN 0.053 nan 8.380 nan 0.000 0.477 114 L N 1.638 122.869 121.223 0.013 0.000 2.540 114 L HA -0.013 4.327 4.340 -0.000 0.000 0.276 114 L C 0.965 177.886 176.870 0.086 0.000 1.212 114 L CA 0.902 55.770 54.840 0.047 0.000 0.893 114 L CB 0.526 42.599 42.059 0.023 0.000 1.138 114 L HN -0.016 nan 8.230 nan 0.000 0.491 115 K N 4.428 124.900 120.400 0.119 0.000 2.462 115 K HA 0.265 4.585 4.320 -0.000 0.000 0.201 115 K C -0.769 175.878 176.600 0.077 0.000 1.268 115 K CA -0.215 56.152 56.287 0.133 0.000 0.933 115 K CB 0.639 33.285 32.500 0.244 0.000 1.162 115 K HN 0.444 nan 8.250 nan 0.000 0.527 116 L N 1.615 122.843 121.223 0.007 0.000 2.409 116 L HA 0.440 4.780 4.340 -0.000 0.000 0.272 116 L C -1.663 175.167 176.870 -0.067 0.000 0.980 116 L CA -0.571 54.217 54.840 -0.086 0.000 0.826 116 L CB 1.627 43.452 42.059 -0.390 0.000 1.268 116 L HN -0.059 nan 8.230 nan 0.000 0.407 117 L N 6.337 127.537 121.223 -0.039 0.000 2.318 117 L HA 0.517 4.857 4.340 -0.000 0.000 0.277 117 L C -0.904 175.935 176.870 -0.051 0.000 1.008 117 L CA -0.297 54.518 54.840 -0.042 0.000 0.846 117 L CB 1.351 43.385 42.059 -0.041 0.000 1.220 117 L HN 0.519 nan 8.230 nan 0.000 0.423 118 L N 2.900 124.083 121.223 -0.066 0.000 2.307 118 L HA 0.510 4.850 4.340 -0.000 0.000 0.284 118 L C -0.024 176.825 176.870 -0.035 0.000 1.023 118 L CA -0.413 54.377 54.840 -0.083 0.000 0.810 118 L CB 1.941 43.923 42.059 -0.128 0.000 1.231 118 L HN 0.470 nan 8.230 nan 0.000 0.423 119 T N 2.373 116.903 114.554 -0.039 0.000 2.743 119 T HA 0.410 4.760 4.350 -0.000 0.000 0.292 119 T C 0.256 174.923 174.700 -0.056 0.000 0.972 119 T CA -0.425 61.670 62.100 -0.007 0.000 0.967 119 T CB 1.304 70.184 68.868 0.020 0.000 0.926 119 T HN 0.640 nan 8.240 nan 0.000 0.459 120 A N 3.467 126.254 122.820 -0.055 0.000 2.807 120 A HA 0.733 5.053 4.320 -0.000 0.000 0.307 120 A C 1.035 178.270 177.584 -0.582 0.000 1.532 120 A CA 0.214 52.169 52.037 -0.137 0.000 1.215 120 A CB -0.901 18.161 19.000 0.103 0.000 1.127 120 A HN 1.257 nan 8.150 nan 0.000 0.543 121 G N 0.565 109.100 108.800 -0.443 0.000 2.260 121 G HA2 0.209 4.168 3.960 -0.000 0.000 0.250 121 G HA3 0.209 4.168 3.960 -0.000 0.000 0.250 121 G C -1.149 173.692 174.900 -0.100 0.000 1.340 121 G CA -0.467 44.420 45.100 -0.356 0.000 1.056 121 G HN 0.796 nan 8.290 nan 0.000 0.471 122 I N 1.088 121.629 120.570 -0.048 0.000 2.569 122 I HA 0.618 4.788 4.170 -0.000 0.000 0.290 122 I C 0.319 176.471 176.117 0.058 0.000 1.088 122 I CA 0.151 61.472 61.300 0.034 0.000 1.047 122 I CB 2.002 40.049 38.000 0.078 0.000 1.237 122 I HN 2.123 nan 8.210 nan 0.000 0.421 123 G N 3.236 112.106 108.800 0.116 0.000 3.448 123 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.685 123 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.685 123 G C -0.285 174.725 174.900 0.183 0.000 1.151 123 G CA -0.602 44.615 45.100 0.195 0.000 1.023 123 G HN 0.561 nan 8.290 nan 0.000 0.499 124 S N 0.764 116.522 115.700 0.098 0.000 2.601 124 S HA 0.166 4.636 4.470 -0.000 0.000 0.244 124 S C 1.559 176.006 174.600 -0.255 0.000 1.001 124 S CA 0.456 58.563 58.200 -0.156 0.000 0.984 124 S CB 0.219 63.280 63.200 -0.232 0.000 0.842 124 S HN 0.915 nan 8.310 nan 0.000 0.474 125 D N 1.188 121.606 120.400 0.030 0.000 2.378 125 D HA -0.198 4.442 4.640 -0.000 0.000 0.222 125 D C 1.549 177.902 176.300 0.089 0.000 0.980 125 D CA 0.817 54.875 54.000 0.096 0.000 0.907 125 D CB -0.382 40.556 40.800 0.231 0.000 0.899 125 D HN 0.615 nan 8.370 nan 0.000 0.527 126 H N -0.037 119.097 119.070 0.105 0.000 2.551 126 H HA 0.104 4.660 4.556 -0.000 0.000 0.266 126 H C 0.362 175.773 175.328 0.138 0.000 0.977 126 H CA -0.108 56.043 56.048 0.173 0.000 1.163 126 H CB -0.075 29.683 29.762 -0.007 0.000 1.381 126 H HN 0.183 nan 8.280 nan 0.000 0.581 127 I N 2.407 122.813 120.570 -0.274 0.000 2.428 127 I HA 0.037 4.207 4.170 -0.000 0.000 0.296 127 I C 0.533 176.615 176.117 -0.058 0.000 0.985 127 I CA -0.870 60.335 61.300 -0.158 0.000 1.260 127 I CB 1.441 39.295 38.000 -0.244 0.000 1.389 127 I HN 0.020 nan 8.210 nan 0.000 0.484 128 D N 6.140 126.530 120.400 -0.017 0.000 2.398 128 D HA 0.078 4.718 4.640 -0.000 0.000 0.250 128 D C 1.107 177.390 176.300 -0.029 0.000 1.287 128 D CA 0.095 54.090 54.000 -0.008 0.000 0.992 128 D CB 0.464 41.267 40.800 0.004 0.000 1.071 128 D HN 0.414 nan 8.370 nan 0.000 0.514 129 L N 2.635 123.833 121.223 -0.041 0.000 2.141 129 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 129 L C 2.496 179.346 176.870 -0.033 0.000 1.094 129 L CA 0.692 55.493 54.840 -0.064 0.000 0.763 129 L CB -0.251 41.746 42.059 -0.103 0.000 0.908 129 L HN 0.454 nan 8.230 nan 0.000 0.437 130 Q N 0.638 120.431 119.800 -0.012 0.000 2.046 130 Q HA -0.211 4.128 4.340 -0.000 0.000 0.200 130 Q C 2.274 178.271 176.000 -0.004 0.000 0.975 130 Q CA 1.803 57.605 55.803 -0.002 0.000 0.836 130 Q CB -0.089 28.654 28.738 0.009 0.000 0.896 130 Q HN 0.469 nan 8.270 nan 0.000 0.428 131 A N 0.579 123.396 122.820 -0.005 0.000 2.015 131 A HA 0.000 4.320 4.320 -0.000 0.000 0.219 131 A C 2.203 179.783 177.584 -0.006 0.000 1.163 131 A CA 1.385 53.420 52.037 -0.003 0.000 0.646 131 A CB -0.689 18.311 19.000 -0.001 0.000 0.806 131 A HN 0.571 nan 8.150 nan 0.000 0.448 132 A N -0.011 122.801 122.820 -0.014 0.000 1.872 132 A HA 0.238 4.558 4.320 -0.000 0.000 0.214 132 A C 2.500 180.077 177.584 -0.011 0.000 1.187 132 A CA 1.771 53.799 52.037 -0.016 0.000 0.614 132 A CB -1.015 17.965 19.000 -0.032 0.000 0.826 132 A HN 0.983 nan 8.150 nan 0.000 0.442 133 A N 0.029 122.841 122.820 -0.014 0.000 1.908 133 A HA 0.112 4.432 4.320 -0.000 0.000 0.218 133 A C 2.474 180.055 177.584 -0.005 0.000 1.181 133 A CA 2.189 54.220 52.037 -0.010 0.000 0.627 133 A CB -1.016 17.977 19.000 -0.011 0.000 0.818 133 A HN 1.098 nan 8.150 nan 0.000 0.445 134 A N -0.594 122.225 122.820 -0.003 0.000 2.019 134 A HA 0.243 4.563 4.320 -0.000 0.000 0.219 134 A C 2.240 179.825 177.584 0.002 0.000 1.164 134 A CA 1.778 53.815 52.037 -0.000 0.000 0.644 134 A CB -0.638 18.362 19.000 0.001 0.000 0.805 134 A HN 1.088 nan 8.150 nan 0.000 0.449 135 A N -1.925 120.896 122.820 0.002 0.000 2.218 135 A HA 0.426 4.746 4.320 -0.000 0.000 0.209 135 A C 1.740 179.330 177.584 0.010 0.000 1.168 135 A CA 1.118 53.159 52.037 0.007 0.000 0.804 135 A CB -0.780 18.225 19.000 0.008 0.000 0.834 135 A HN 1.830 nan 8.150 nan 0.000 0.482 136 G N -0.757 108.047 108.800 0.006 0.000 2.147 136 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.244 136 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.244 136 G C 0.070 174.980 174.900 0.017 0.000 1.005 136 G CA 0.367 45.471 45.100 0.008 0.000 0.713 136 G HN 0.466 nan 8.290 nan 0.000 0.515 137 L N 0.503 121.736 121.223 0.017 0.000 2.436 137 L HA 0.493 4.833 4.340 -0.000 0.000 0.265 137 L C 0.866 177.756 176.870 0.034 0.000 1.168 137 L CA -0.346 54.511 54.840 0.028 0.000 0.815 137 L CB 0.848 42.917 42.059 0.017 0.000 1.109 137 L HN 0.091 nan 8.230 nan 0.000 0.462 138 T N 1.820 116.409 114.554 0.059 0.000 2.767 138 T HA 0.438 4.788 4.350 -0.000 0.000 0.288 138 T C -0.201 174.556 174.700 0.094 0.000 0.963 138 T CA -0.382 61.779 62.100 0.101 0.000 1.019 138 T CB 1.317 70.272 68.868 0.145 0.000 0.923 138 T HN 0.236 nan 8.240 nan 0.000 0.468 139 V N 2.743 122.718 119.914 0.101 0.000 2.444 139 V HA 0.832 4.952 4.120 -0.000 0.000 0.294 139 V C -0.017 176.121 176.094 0.074 0.000 1.022 139 V CA -0.758 61.564 62.300 0.037 0.000 0.850 139 V CB 1.175 32.971 31.823 -0.045 0.000 0.992 139 V HN 1.093 nan 8.190 nan 0.000 0.426 140 A N 4.538 127.374 122.820 0.026 0.000 2.515 140 A HA 0.998 5.317 4.320 -0.000 0.000 0.296 140 A C -0.723 176.803 177.584 -0.096 0.000 1.094 140 A CA -0.635 51.382 52.037 -0.032 0.000 0.718 140 A CB 2.070 21.040 19.000 -0.050 0.000 1.307 140 A HN 0.910 nan 8.150 nan 0.000 0.408 141 E N -0.363 119.777 120.200 -0.101 0.000 2.446 141 E HA 0.586 4.935 4.350 -0.000 0.000 0.276 141 E C -1.545 175.005 176.600 -0.084 0.000 0.969 141 E CA -0.974 55.379 56.400 -0.079 0.000 0.800 141 E CB 1.714 31.398 29.700 -0.026 0.000 1.341 141 E HN 0.283 nan 8.360 nan 0.000 0.460 142 V N 2.015 121.898 119.914 -0.051 0.000 2.162 142 V HA 0.117 4.237 4.120 -0.000 0.000 0.255 142 V C 0.054 176.158 176.094 0.017 0.000 1.304 142 V CA -0.342 61.943 62.300 -0.025 0.000 1.198 142 V CB -0.462 31.377 31.823 0.027 0.000 1.333 142 V HN 0.653 nan 8.190 nan 0.000 0.493 143 T N 3.181 117.740 114.554 0.008 0.000 2.905 143 T HA 0.313 4.663 4.350 -0.000 0.000 0.299 143 T C 1.451 176.172 174.700 0.035 0.000 1.024 143 T CA 1.424 63.544 62.100 0.032 0.000 1.151 143 T CB 0.552 69.441 68.868 0.033 0.000 0.987 143 T HN 1.186 nan 8.240 nan 0.000 0.535 144 G N 2.408 111.235 108.800 0.046 0.000 2.225 144 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.254 144 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.254 144 G C 1.327 176.260 174.900 0.054 0.000 0.988 144 G CA 0.930 46.056 45.100 0.042 0.000 0.625 144 G HN 0.988 nan 8.290 nan 0.000 0.527 145 S N 0.853 116.601 115.700 0.079 0.000 2.387 145 S HA -0.048 4.422 4.470 -0.000 0.000 0.226 145 S C 1.525 176.199 174.600 0.124 0.000 1.026 145 S CA 1.746 60.009 58.200 0.105 0.000 0.972 145 S CB -0.214 63.088 63.200 0.171 0.000 0.814 145 S HN 1.276 nan 8.310 nan 0.000 0.477 146 N N 0.951 119.740 118.700 0.148 0.000 2.241 146 N HA 0.120 4.860 4.740 -0.000 0.000 0.238 146 N C 1.077 176.650 175.510 0.105 0.000 1.244 146 N CA 0.343 53.483 53.050 0.150 0.000 0.880 146 N CB -0.107 38.535 38.487 0.257 0.000 1.179 146 N HN 0.408 nan 8.380 nan 0.000 0.513 147 V N -2.274 117.686 119.914 0.076 0.000 2.343 147 V HA -0.137 3.983 4.120 -0.000 0.000 0.247 147 V C 1.869 177.983 176.094 0.033 0.000 1.051 147 V CA 1.213 63.545 62.300 0.052 0.000 1.036 147 V CB -0.970 30.876 31.823 0.038 0.000 0.654 147 V HN 0.060 nan 8.190 nan 0.000 0.451 148 V N 1.724 121.653 119.914 0.025 0.000 2.287 148 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 148 V C 2.940 179.041 176.094 0.012 0.000 1.053 148 V CA 2.665 64.971 62.300 0.011 0.000 1.027 148 V CB -1.107 30.718 31.823 0.005 0.000 0.646 148 V HN 0.701 nan 8.190 nan 0.000 0.447 149 S N 0.166 115.880 115.700 0.023 0.000 2.365 149 S HA -0.209 4.261 4.470 -0.000 0.000 0.225 149 S C 1.960 176.574 174.600 0.023 0.000 1.039 149 S CA 1.749 59.962 58.200 0.020 0.000 1.033 149 S CB -0.540 62.683 63.200 0.039 0.000 0.887 149 S HN 0.415 nan 8.310 nan 0.000 0.447 150 V N 2.163 122.103 119.914 0.043 0.000 2.379 150 V HA -0.115 4.004 4.120 -0.000 0.000 0.245 150 V C 2.764 178.856 176.094 -0.003 0.000 1.044 150 V CA 1.442 63.764 62.300 0.036 0.000 1.036 150 V CB -1.426 30.433 31.823 0.060 0.000 0.664 150 V HN 0.558 nan 8.190 nan 0.000 0.453 151 A N 0.077 122.894 122.820 -0.005 0.000 1.883 151 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 151 A C 2.167 179.729 177.584 -0.037 0.000 1.186 151 A CA 2.012 54.034 52.037 -0.025 0.000 0.624 151 A CB -0.512 18.477 19.000 -0.018 0.000 0.822 151 A HN 0.631 nan 8.150 nan 0.000 0.444 152 E N -0.567 119.617 120.200 -0.028 0.000 2.049 152 E HA -0.272 4.078 4.350 -0.000 0.000 0.198 152 E C 1.768 178.334 176.600 -0.057 0.000 1.007 152 E CA 1.551 57.929 56.400 -0.036 0.000 0.809 152 E CB -0.302 29.381 29.700 -0.030 0.000 0.749 152 E HN 0.697 nan 8.360 nan 0.000 0.450 153 D N 0.189 120.558 120.400 -0.051 0.000 2.144 153 D HA -0.136 4.504 4.640 -0.000 0.000 0.199 153 D C 1.746 177.991 176.300 -0.091 0.000 0.984 153 D CA 0.984 54.945 54.000 -0.065 0.000 0.834 153 D CB 0.160 40.938 40.800 -0.037 0.000 0.955 153 D HN 0.172 nan 8.370 nan 0.000 0.465 154 E N -0.220 119.927 120.200 -0.089 0.000 2.051 154 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 154 E C 2.186 178.701 176.600 -0.141 0.000 0.991 154 E CA 0.448 56.777 56.400 -0.118 0.000 0.799 154 E CB -0.110 29.528 29.700 -0.105 0.000 0.748 154 E HN 0.300 nan 8.360 nan 0.000 0.449 155 L N 0.815 121.958 121.223 -0.135 0.000 2.083 155 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 155 L C 2.535 179.294 176.870 -0.184 0.000 1.083 155 L CA 1.000 55.732 54.840 -0.181 0.000 0.752 155 L CB -0.113 41.845 42.059 -0.168 0.000 0.899 155 L HN 0.273 nan 8.230 nan 0.000 0.433 156 M N -0.504 119.010 119.600 -0.143 0.000 2.073 156 M HA -0.312 4.168 4.480 -0.000 0.000 0.258 156 M C 2.382 178.584 176.300 -0.162 0.000 1.070 156 M CA 1.991 57.201 55.300 -0.149 0.000 1.103 156 M CB -0.171 32.346 32.600 -0.139 0.000 1.321 156 M HN 0.185 nan 8.290 nan 0.000 0.405 157 R N -0.019 120.386 120.500 -0.158 0.000 2.115 157 R HA -0.043 4.297 4.340 -0.000 0.000 0.230 157 R C 2.084 178.288 176.300 -0.161 0.000 1.111 157 R CA 1.495 57.500 56.100 -0.159 0.000 0.976 157 R CB -0.475 29.719 30.300 -0.177 0.000 0.870 157 R HN 0.462 nan 8.270 nan 0.000 0.445 158 I N 0.988 121.452 120.570 -0.176 0.000 2.127 158 I HA -0.342 3.828 4.170 -0.000 0.000 0.241 158 I C 2.238 178.264 176.117 -0.151 0.000 1.075 158 I CA 1.530 62.725 61.300 -0.176 0.000 1.334 158 I CB -0.352 37.524 38.000 -0.207 0.000 1.040 158 I HN 0.141 nan 8.210 nan 0.000 0.405 159 L N 0.324 121.448 121.223 -0.165 0.000 2.012 159 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 159 L C 2.565 179.392 176.870 -0.072 0.000 1.073 159 L CA 1.634 56.403 54.840 -0.119 0.000 0.748 159 L CB -0.565 41.420 42.059 -0.125 0.000 0.891 159 L HN 0.223 nan 8.230 nan 0.000 0.431 160 I N -0.362 120.156 120.570 -0.087 0.000 2.194 160 I HA -0.348 3.822 4.170 -0.000 0.000 0.246 160 I C 2.433 178.556 176.117 0.010 0.000 1.093 160 I CA 1.508 62.797 61.300 -0.019 0.000 1.355 160 I CB -0.238 37.734 38.000 -0.048 0.000 1.046 160 I HN 0.231 nan 8.210 nan 0.000 0.413 161 L N -0.973 120.222 121.223 -0.046 0.000 2.044 161 L HA -0.206 4.134 4.340 -0.000 0.000 0.205 161 L C 2.585 179.436 176.870 -0.032 0.000 1.075 161 L CA 0.986 55.797 54.840 -0.048 0.000 0.747 161 L CB -0.467 41.537 42.059 -0.092 0.000 0.903 161 L HN 0.274 nan 8.230 nan 0.000 0.435 162 M N 0.137 119.715 119.600 -0.037 0.000 2.086 162 M HA -0.171 4.309 4.480 -0.000 0.000 0.261 162 M C 2.136 178.458 176.300 0.037 0.000 1.067 162 M CA 1.880 57.178 55.300 -0.003 0.000 1.116 162 M CB -0.269 32.318 32.600 -0.022 0.000 1.348 162 M HN 0.004 nan 8.290 nan 0.000 0.407 163 R N -0.816 119.698 120.500 0.022 0.000 2.317 163 R HA 0.135 4.475 4.340 -0.000 0.000 0.208 163 R C 0.277 176.589 176.300 0.021 0.000 0.914 163 R CA 0.340 56.457 56.100 0.028 0.000 1.060 163 R CB -0.403 29.920 30.300 0.039 0.000 1.015 163 R HN 0.424 nan 8.270 nan 0.000 0.498 164 N N 0.250 118.962 118.700 0.019 0.000 2.756 164 N HA -0.233 4.507 4.740 -0.000 0.000 0.248 164 N C 0.203 175.734 175.510 0.035 0.000 1.062 164 N CA 0.155 53.202 53.050 -0.004 0.000 0.696 164 N CB -1.433 37.001 38.487 -0.088 0.000 0.946 164 N HN 0.319 nan 8.380 nan 0.000 0.548 165 F N -0.088 119.835 119.950 -0.044 0.000 2.146 165 F HA -0.050 4.477 4.527 -0.000 0.000 0.298 165 F C 1.870 177.675 175.800 0.009 0.000 1.096 165 F CA 1.715 59.702 58.000 -0.022 0.000 1.275 165 F CB -0.239 38.744 39.000 -0.027 0.000 1.008 165 F HN 0.085 nan 8.300 nan 0.000 0.480 166 V N 1.583 121.491 119.914 -0.011 0.000 2.287 166 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 166 V C -0.335 175.680 176.094 -0.131 0.000 1.053 166 V CA 2.450 64.696 62.300 -0.089 0.000 1.027 166 V CB -1.889 29.966 31.823 0.053 0.000 0.646 166 V HN 0.237 nan 8.190 nan 0.000 0.447 167 P HA -0.099 nan 4.420 nan 0.000 0.218 167 P C 1.667 178.873 177.300 -0.156 0.000 1.148 167 P CA 1.724 64.771 63.100 -0.090 0.000 0.822 167 P CB -0.302 31.359 31.700 -0.064 0.000 0.784 168 G N -1.160 107.498 108.800 -0.237 0.000 2.402 168 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.216 168 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.216 168 G C 1.569 176.282 174.900 -0.312 0.000 1.162 168 G CA 0.501 45.429 45.100 -0.286 0.000 0.777 168 G HN 0.222 nan 8.290 nan 0.000 0.539 169 Y N 2.080 122.045 120.300 -0.558 0.000 2.145 169 Y HA -0.154 4.395 4.550 -0.000 0.000 0.286 169 Y C 2.685 178.458 175.900 -0.211 0.000 1.145 169 Y CA 2.000 59.834 58.100 -0.444 0.000 1.148 169 Y CB -0.198 37.891 38.460 -0.618 0.000 0.981 169 Y HN 0.126 nan 8.280 nan 0.000 0.507 170 N N 0.371 118.981 118.700 -0.151 0.000 2.120 170 N HA -0.197 4.543 4.740 -0.000 0.000 0.188 170 N C 1.782 177.194 175.510 -0.163 0.000 1.024 170 N CA 1.752 54.728 53.050 -0.124 0.000 0.852 170 N CB -0.513 37.966 38.487 -0.013 0.000 1.003 170 N HN 0.579 nan 8.380 nan 0.000 0.424 171 Q N 0.205 119.912 119.800 -0.155 0.000 2.096 171 Q HA -0.084 4.256 4.340 -0.000 0.000 0.204 171 Q C 2.063 177.981 176.000 -0.136 0.000 0.982 171 Q CA 1.061 56.789 55.803 -0.126 0.000 0.850 171 Q CB -0.074 28.580 28.738 -0.140 0.000 0.901 171 Q HN 0.157 nan 8.270 nan 0.000 0.422 172 V N 0.691 120.475 119.914 -0.218 0.000 2.295 172 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 172 V C 2.357 178.329 176.094 -0.203 0.000 1.049 172 V CA 1.910 64.096 62.300 -0.192 0.000 1.024 172 V CB -0.566 31.108 31.823 -0.249 0.000 0.648 172 V HN 0.419 nan 8.190 nan 0.000 0.447 173 V N -1.881 117.836 119.914 -0.329 0.000 2.667 173 V HA -0.069 4.051 4.120 -0.000 0.000 0.252 173 V C 1.940 177.966 176.094 -0.115 0.000 1.065 173 V CA 1.520 63.675 62.300 -0.241 0.000 1.083 173 V CB -0.832 30.806 31.823 -0.309 0.000 0.692 173 V HN 0.491 nan 8.190 nan 0.000 0.468 174 K N 1.080 121.423 120.400 -0.096 0.000 2.487 174 K HA 0.347 4.667 4.320 -0.000 0.000 0.192 174 K C 1.451 178.039 176.600 -0.020 0.000 1.027 174 K CA 0.586 56.848 56.287 -0.042 0.000 1.054 174 K CB -0.022 32.460 32.500 -0.030 0.000 0.824 174 K HN 0.762 nan 8.250 nan 0.000 0.510 175 G N 1.918 110.706 108.800 -0.021 0.000 2.143 175 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.248 175 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.248 175 G C -0.257 174.670 174.900 0.043 0.000 0.991 175 G CA 0.264 45.371 45.100 0.011 0.000 0.689 175 G HN 0.413 nan 8.290 nan 0.000 0.522 176 E N -1.410 118.815 120.200 0.042 0.000 2.292 176 E HA 0.618 4.968 4.350 -0.000 0.000 0.258 176 E C -0.272 176.438 176.600 0.182 0.000 1.115 176 E CA -0.814 55.634 56.400 0.079 0.000 0.929 176 E CB 1.110 30.828 29.700 0.030 0.000 1.161 176 E HN 0.294 nan 8.360 nan 0.000 0.453 177 W N 2.002 123.286 121.300 -0.027 0.000 3.097 177 W HA 0.232 4.892 4.660 -0.000 0.000 0.325 177 W C -1.702 174.809 176.519 -0.013 0.000 1.056 177 W CA -0.370 56.961 57.345 -0.023 0.000 1.254 177 W CB 0.997 30.445 29.460 -0.020 0.000 1.202 177 W HN 0.474 nan 8.180 nan 0.000 0.400 178 N N 4.907 123.501 118.700 -0.177 0.000 2.751 178 N HA 0.143 4.883 4.740 -0.000 0.000 0.238 178 N C 0.296 175.689 175.510 -0.195 0.000 1.351 178 N CA -0.137 52.861 53.050 -0.086 0.000 0.751 178 N CB 0.980 39.458 38.487 -0.016 0.000 1.342 178 N HN 0.070 nan 8.380 nan 0.000 0.540 179 V N 1.467 121.227 119.914 -0.257 0.000 2.380 179 V HA -0.249 3.871 4.120 -0.000 0.000 0.251 179 V C 2.387 178.428 176.094 -0.088 0.000 1.063 179 V CA 2.480 64.647 62.300 -0.223 0.000 1.055 179 V CB -0.793 30.938 31.823 -0.153 0.000 0.657 179 V HN 0.675 nan 8.190 nan 0.000 0.455 180 A N 0.513 123.321 122.820 -0.020 0.000 1.972 180 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 180 A C 2.375 180.032 177.584 0.122 0.000 1.169 180 A CA 1.722 53.783 52.037 0.041 0.000 0.635 180 A CB -1.077 17.945 19.000 0.037 0.000 0.810 180 A HN 0.560 nan 8.150 nan 0.000 0.446 181 G N -0.621 108.227 108.800 0.080 0.000 2.498 181 G HA2 -0.034 3.925 3.960 -0.000 0.000 0.219 181 G HA3 -0.034 3.925 3.960 -0.000 0.000 0.219 181 G C 1.316 176.315 174.900 0.164 0.000 1.119 181 G CA 1.177 46.369 45.100 0.152 0.000 0.766 181 G HN 0.520 nan 8.290 nan 0.000 0.552 182 I N -0.007 120.571 120.570 0.013 0.000 3.194 182 I HA 0.196 4.366 4.170 -0.000 0.000 0.271 182 I C 2.935 178.949 176.117 -0.171 0.000 1.150 182 I CA 0.669 61.905 61.300 -0.106 0.000 1.440 182 I CB 0.048 37.962 38.000 -0.143 0.000 1.276 182 I HN 0.092 nan 8.210 nan 0.000 0.457 183 A N 0.987 123.749 122.820 -0.096 0.000 2.015 183 A HA -0.223 4.096 4.320 -0.000 0.000 0.219 183 A C 2.253 179.746 177.584 -0.150 0.000 1.163 183 A CA 1.433 53.398 52.037 -0.121 0.000 0.646 183 A CB -1.041 17.916 19.000 -0.072 0.000 0.806 183 A HN 0.650 nan 8.150 nan 0.000 0.448 184 Y N 1.040 121.284 120.300 -0.092 0.000 2.315 184 Y HA -0.174 4.375 4.550 -0.000 0.000 0.288 184 Y C 1.704 177.546 175.900 -0.096 0.000 1.154 184 Y CA 1.480 59.529 58.100 -0.084 0.000 1.229 184 Y CB -0.320 38.113 38.460 -0.045 0.000 0.980 184 Y HN 0.415 nan 8.280 nan 0.000 0.540 185 R N 0.405 120.446 120.500 -0.766 0.000 2.572 185 R HA 0.651 4.991 4.340 -0.000 0.000 0.370 185 R C -0.085 176.050 176.300 -0.275 0.000 1.005 185 R CA 0.145 55.947 56.100 -0.497 0.000 1.146 185 R CB 0.077 30.002 30.300 -0.626 0.000 1.390 185 R HN 0.159 nan 8.270 nan 0.000 0.553 186 A N 1.175 123.799 122.820 -0.326 0.000 2.328 186 A HA 0.579 4.898 4.320 -0.000 0.000 0.284 186 A C -1.340 176.055 177.584 -0.314 0.000 1.160 186 A CA -0.162 51.753 52.037 -0.203 0.000 0.818 186 A CB 0.189 19.089 19.000 -0.166 0.000 1.087 186 A HN 0.328 nan 8.150 nan 0.000 0.504 187 Y N 0.266 120.532 120.300 -0.058 0.000 2.581 187 Y HA 0.348 4.897 4.550 -0.000 0.000 0.345 187 Y C -0.278 175.609 175.900 -0.021 0.000 1.036 187 Y CA -0.815 57.263 58.100 -0.036 0.000 1.042 187 Y CB 1.843 40.278 38.460 -0.041 0.000 1.289 187 Y HN 0.648 nan 8.280 nan 0.000 0.471 188 D N 1.253 121.760 120.400 0.177 0.000 2.339 188 D HA 0.084 4.724 4.640 -0.000 0.000 0.245 188 D C 0.771 177.133 176.300 0.103 0.000 1.115 188 D CA -0.204 53.865 54.000 0.115 0.000 0.917 188 D CB 1.520 42.377 40.800 0.095 0.000 1.192 188 D HN 0.452 nan 8.370 nan 0.000 0.428 189 L N 1.213 122.484 121.223 0.080 0.000 2.156 189 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 189 L C 0.881 177.789 176.870 0.063 0.000 1.095 189 L CA 1.236 56.099 54.840 0.038 0.000 0.770 189 L CB -0.442 41.603 42.059 -0.023 0.000 0.914 189 L HN 0.494 nan 8.230 nan 0.000 0.439 190 E N -0.479 119.788 120.200 0.111 0.000 2.608 190 E HA 0.111 4.461 4.350 -0.000 0.000 0.259 190 E C 1.110 177.745 176.600 0.058 0.000 0.951 190 E CA 0.813 57.271 56.400 0.097 0.000 0.945 190 E CB -0.112 29.641 29.700 0.088 0.000 0.916 190 E HN 0.537 nan 8.360 nan 0.000 0.477 191 G N 3.821 112.647 108.800 0.044 0.000 2.199 191 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.254 191 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.254 191 G C 0.023 174.923 174.900 -0.001 0.000 0.982 191 G CA 0.409 45.523 45.100 0.023 0.000 0.632 191 G HN 0.493 nan 8.290 nan 0.000 0.529 192 K N 0.821 121.214 120.400 -0.012 0.000 2.107 192 K HA 0.568 4.887 4.320 -0.000 0.000 0.251 192 K C 0.070 176.647 176.600 -0.038 0.000 1.012 192 K CA -0.099 56.160 56.287 -0.046 0.000 0.920 192 K CB 0.684 33.140 32.500 -0.074 0.000 1.033 192 K HN 0.110 nan 8.250 nan 0.000 0.478 193 T N 2.453 116.976 114.554 -0.051 0.000 2.749 193 T HA 0.431 4.781 4.350 -0.000 0.000 0.287 193 T C -0.022 174.652 174.700 -0.044 0.000 0.970 193 T CA -0.591 61.487 62.100 -0.036 0.000 0.980 193 T CB 0.356 69.203 68.868 -0.035 0.000 0.924 193 T HN 0.187 nan 8.240 nan 0.000 0.456 194 I N 2.988 123.539 120.570 -0.031 0.000 2.436 194 I HA 0.515 4.685 4.170 -0.000 0.000 0.289 194 I C 0.616 176.729 176.117 -0.007 0.000 1.010 194 I CA -0.939 60.338 61.300 -0.038 0.000 1.098 194 I CB 1.347 39.315 38.000 -0.053 0.000 1.266 194 I HN 0.713 nan 8.210 nan 0.000 0.434 195 G N 3.015 111.811 108.800 -0.007 0.000 2.478 195 G HA2 0.460 4.420 3.960 -0.000 0.000 0.317 195 G HA3 0.460 4.420 3.960 -0.000 0.000 0.317 195 G C -0.577 174.344 174.900 0.036 0.000 1.259 195 G CA -0.367 44.752 45.100 0.031 0.000 0.933 195 G HN 0.508 nan 8.290 nan 0.000 0.478 196 T N 1.356 115.960 114.554 0.083 0.000 2.767 196 T HA 0.357 4.707 4.350 -0.000 0.000 0.288 196 T C 0.087 174.875 174.700 0.147 0.000 0.963 196 T CA -0.360 61.786 62.100 0.078 0.000 1.019 196 T CB 0.738 69.639 68.868 0.054 0.000 0.923 196 T HN 0.256 nan 8.240 nan 0.000 0.468 197 V N 5.463 125.450 119.914 0.122 0.000 2.299 197 V HA 0.645 4.765 4.120 -0.000 0.000 0.255 197 V C 0.914 177.107 176.094 0.166 0.000 1.100 197 V CA 0.219 62.640 62.300 0.201 0.000 0.938 197 V CB -0.426 31.523 31.823 0.210 0.000 1.139 197 V HN 1.282 nan 8.190 nan 0.000 0.490 198 G N 3.848 112.752 108.800 0.173 0.000 3.226 198 G HA2 0.378 4.337 3.960 -0.000 0.000 0.685 198 G HA3 0.378 4.337 3.960 -0.000 0.000 0.685 198 G C -0.432 174.521 174.900 0.088 0.000 1.207 198 G CA -0.332 44.830 45.100 0.103 0.000 0.877 198 G HN 1.449 nan 8.290 nan 0.000 0.585 199 A N 1.640 124.501 122.820 0.068 0.000 3.355 199 A HA 0.844 5.164 4.320 -0.000 0.000 0.290 199 A C 1.062 178.619 177.584 -0.046 0.000 0.973 199 A CA 0.967 52.993 52.037 -0.019 0.000 0.933 199 A CB 0.049 18.972 19.000 -0.128 0.000 1.138 199 A HN 2.140 nan 8.150 nan 0.000 0.490 200 G N 0.043 108.828 108.800 -0.024 0.000 2.783 200 G HA2 0.282 4.242 3.960 -0.000 0.000 0.182 200 G HA3 0.282 4.242 3.960 -0.000 0.000 0.182 200 G C 0.954 175.836 174.900 -0.030 0.000 1.516 200 G CA -0.316 44.770 45.100 -0.024 0.000 1.079 200 G HN 0.484 nan 8.290 nan 0.000 0.573 201 R N -0.927 119.565 120.500 -0.013 0.000 2.080 201 R HA -0.031 4.309 4.340 -0.000 0.000 0.236 201 R C 2.597 178.889 176.300 -0.013 0.000 1.137 201 R CA 1.426 57.520 56.100 -0.010 0.000 0.943 201 R CB -0.473 29.832 30.300 0.009 0.000 0.846 201 R HN 0.435 nan 8.270 nan 0.000 0.431 202 I N -0.168 120.398 120.570 -0.006 0.000 2.202 202 I HA -0.145 4.024 4.170 -0.000 0.000 0.242 202 I C 2.581 178.684 176.117 -0.025 0.000 1.091 202 I CA 1.395 62.691 61.300 -0.008 0.000 1.368 202 I CB -0.661 37.340 38.000 0.003 0.000 1.058 202 I HN 0.321 nan 8.210 nan 0.000 0.410 203 G N 1.047 109.829 108.800 -0.030 0.000 2.422 203 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 203 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 203 G C 1.730 176.588 174.900 -0.069 0.000 1.146 203 G CA 0.631 45.706 45.100 -0.042 0.000 0.769 203 G HN 0.326 nan 8.290 nan 0.000 0.547 204 K N -0.120 120.231 120.400 -0.081 0.000 2.057 204 K HA 0.096 4.416 4.320 -0.000 0.000 0.206 204 K C 2.466 179.029 176.600 -0.063 0.000 1.050 204 K CA 0.719 56.947 56.287 -0.098 0.000 0.935 204 K CB -0.297 32.145 32.500 -0.098 0.000 0.715 204 K HN 0.245 nan 8.250 nan 0.000 0.439 205 L N 0.799 121.996 121.223 -0.042 0.000 2.131 205 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 205 L C 2.371 179.225 176.870 -0.026 0.000 1.092 205 L CA 0.427 55.251 54.840 -0.027 0.000 0.759 205 L CB -0.340 41.709 42.059 -0.017 0.000 0.903 205 L HN 0.174 nan 8.230 nan 0.000 0.435 206 L N -0.223 120.979 121.223 -0.035 0.000 2.027 206 L HA -0.172 4.168 4.340 -0.000 0.000 0.206 206 L C 2.293 179.142 176.870 -0.035 0.000 1.074 206 L CA 1.689 56.505 54.840 -0.040 0.000 0.745 206 L CB -0.406 41.621 42.059 -0.052 0.000 0.898 206 L HN 0.082 nan 8.230 nan 0.000 0.433 207 L N -0.808 120.391 121.223 -0.040 0.000 2.079 207 L HA -0.260 4.079 4.340 -0.000 0.000 0.210 207 L C 2.662 179.527 176.870 -0.008 0.000 1.081 207 L CA 1.497 56.319 54.840 -0.030 0.000 0.752 207 L CB -0.635 41.389 42.059 -0.059 0.000 0.896 207 L HN 0.423 nan 8.230 nan 0.000 0.433 208 Q N -0.344 119.448 119.800 -0.013 0.000 2.119 208 Q HA -0.191 4.149 4.340 -0.000 0.000 0.201 208 Q C 2.347 178.366 176.000 0.032 0.000 0.972 208 Q CA 1.371 57.176 55.803 0.003 0.000 0.847 208 Q CB -0.040 28.693 28.738 -0.008 0.000 0.903 208 Q HN 0.434 nan 8.270 nan 0.000 0.433 209 R N 0.010 120.532 120.500 0.037 0.000 2.148 209 R HA -0.006 4.334 4.340 -0.000 0.000 0.223 209 R C 2.022 178.426 176.300 0.174 0.000 1.088 209 R CA 0.658 56.810 56.100 0.087 0.000 0.985 209 R CB 0.022 30.357 30.300 0.058 0.000 0.880 209 R HN 0.196 nan 8.270 nan 0.000 0.451 210 L N 0.383 121.664 121.223 0.096 0.000 2.240 210 L HA -0.065 4.275 4.340 -0.000 0.000 0.211 210 L C 2.230 179.231 176.870 0.218 0.000 1.106 210 L CA 0.617 55.532 54.840 0.125 0.000 0.793 210 L CB -0.245 41.804 42.059 -0.017 0.000 0.927 210 L HN 0.014 nan 8.230 nan 0.000 0.446 211 K N 1.641 122.119 120.400 0.130 0.000 2.071 211 K HA -0.197 4.123 4.320 -0.000 0.000 0.217 211 K C -0.681 175.978 176.600 0.099 0.000 1.054 211 K CA 2.082 58.425 56.287 0.093 0.000 0.937 211 K CB -1.502 31.028 32.500 0.051 0.000 0.719 211 K HN 0.178 nan 8.250 nan 0.000 0.454 212 P HA -0.016 nan 4.420 nan 0.000 0.245 212 P C 0.470 177.724 177.300 -0.076 0.000 1.212 212 P CA 0.685 63.769 63.100 -0.027 0.000 0.774 212 P CB -0.037 31.593 31.700 -0.116 0.000 0.999 213 F N 0.554 120.497 119.950 -0.011 0.000 2.615 213 F HA 0.283 4.810 4.527 -0.000 0.000 0.297 213 F C 1.696 177.492 175.800 -0.006 0.000 1.124 213 F CA 1.044 59.038 58.000 -0.010 0.000 1.451 213 F CB -0.682 38.309 39.000 -0.015 0.000 1.103 213 F HN 0.029 nan 8.300 nan 0.000 0.569 214 G N 0.695 109.584 108.800 0.148 0.000 2.341 214 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.278 214 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.278 214 G C -0.233 174.714 174.900 0.078 0.000 1.111 214 G CA -0.229 44.922 45.100 0.084 0.000 0.982 214 G HN 0.325 nan 8.290 nan 0.000 0.502 215 C N -0.440 118.907 119.300 0.079 0.000 2.354 215 C HA 0.732 5.192 4.460 -0.000 0.000 0.381 215 C C 0.799 175.810 174.990 0.035 0.000 1.240 215 C CA -0.785 58.261 59.018 0.047 0.000 2.089 215 C CB 1.589 29.347 27.740 0.030 0.000 2.234 215 C HN 0.747 nan 8.230 nan 0.000 0.544 216 N N 1.196 119.908 118.700 0.020 0.000 2.500 216 N HA 0.409 5.149 4.740 -0.000 0.000 0.236 216 N C -1.173 174.352 175.510 0.025 0.000 1.022 216 N CA -0.003 53.060 53.050 0.021 0.000 0.935 216 N CB -0.110 38.383 38.487 0.009 0.000 1.147 216 N HN 0.513 nan 8.380 nan 0.000 0.512 217 L N 3.919 125.168 121.223 0.044 0.000 2.276 217 L HA 0.459 4.799 4.340 -0.000 0.000 0.286 217 L C -0.150 176.779 176.870 0.098 0.000 1.061 217 L CA -0.621 54.256 54.840 0.062 0.000 0.807 217 L CB 0.724 42.824 42.059 0.068 0.000 1.177 217 L HN 0.292 nan 8.230 nan 0.000 0.429 218 L N 3.800 125.084 121.223 0.102 0.000 2.323 218 L HA 0.632 4.972 4.340 -0.000 0.000 0.265 218 L C -0.967 176.039 176.870 0.228 0.000 1.012 218 L CA -1.009 53.905 54.840 0.123 0.000 0.820 218 L CB 1.952 44.034 42.059 0.038 0.000 1.334 218 L HN 0.464 nan 8.230 nan 0.000 0.427 219 Y N -0.818 119.533 120.300 0.085 0.000 2.534 219 Y HA 0.666 5.216 4.550 -0.000 0.000 0.345 219 Y C -1.185 174.817 175.900 0.169 0.000 1.031 219 Y CA -1.224 56.948 58.100 0.120 0.000 1.022 219 Y CB 1.216 39.749 38.460 0.122 0.000 1.292 219 Y HN 0.579 nan 8.280 nan 0.000 0.459 220 H N 2.326 121.459 119.070 0.106 0.000 2.495 220 H HA 0.663 5.219 4.556 -0.000 0.000 0.348 220 H C -1.730 173.749 175.328 0.252 0.000 1.113 220 H CA -0.382 55.685 56.048 0.032 0.000 1.195 220 H CB 1.701 31.450 29.762 -0.021 0.000 1.521 220 H HN 0.920 nan 8.280 nan 0.000 0.509 221 D N 2.577 122.771 120.400 -0.344 0.000 2.622 221 D HA 0.149 4.789 4.640 -0.000 0.000 0.255 221 D C 0.389 176.561 176.300 -0.213 0.000 1.246 221 D CA -0.564 53.304 54.000 -0.219 0.000 0.795 221 D CB 1.735 42.611 40.800 0.126 0.000 1.369 221 D HN 0.732 nan 8.370 nan 0.000 0.425 222 R N 0.187 120.625 120.500 -0.104 0.000 2.189 222 R HA 0.090 4.429 4.340 -0.000 0.000 0.223 222 R C 0.245 176.568 176.300 0.039 0.000 1.092 222 R CA 0.760 56.863 56.100 0.006 0.000 0.989 222 R CB 0.031 30.340 30.300 0.016 0.000 0.876 222 R HN 0.229 nan 8.270 nan 0.000 0.457 223 L N 0.980 122.212 121.223 0.016 0.000 2.356 223 L HA 0.308 4.648 4.340 -0.000 0.000 0.277 223 L C -0.270 176.529 176.870 -0.119 0.000 0.996 223 L CA -0.744 54.069 54.840 -0.044 0.000 0.822 223 L CB 1.992 44.033 42.059 -0.030 0.000 1.256 223 L HN -0.053 nan 8.230 nan 0.000 0.413 224 Q N 2.933 122.514 119.800 -0.364 0.000 2.352 224 Q HA 0.312 4.652 4.340 -0.000 0.000 0.260 224 Q C -0.324 175.559 176.000 -0.194 0.000 0.976 224 Q CA -0.201 55.270 55.803 -0.553 0.000 0.881 224 Q CB 1.002 29.246 28.738 -0.823 0.000 1.235 224 Q HN 0.520 nan 8.270 nan 0.000 0.419 225 M N 1.971 121.521 119.600 -0.082 0.000 2.207 225 M HA 0.201 4.681 4.480 -0.000 0.000 0.311 225 M C 0.259 176.509 176.300 -0.084 0.000 1.127 225 M CA -0.299 54.928 55.300 -0.122 0.000 1.181 225 M CB 0.406 32.869 32.600 -0.229 0.000 1.409 225 M HN 0.742 nan 8.290 nan 0.000 0.461 226 A N 2.279 125.055 122.820 -0.072 0.000 2.498 226 A HA 0.186 4.506 4.320 -0.000 0.000 0.239 226 A C -1.684 175.882 177.584 -0.030 0.000 1.068 226 A CA -1.130 50.878 52.037 -0.049 0.000 0.766 226 A CB -0.600 18.376 19.000 -0.040 0.000 1.003 226 A HN 0.596 nan 8.150 nan 0.000 0.497 227 P HA -0.262 nan 4.420 nan 0.000 0.217 227 P C 1.306 178.608 177.300 0.003 0.000 1.158 227 P CA 2.012 65.112 63.100 0.001 0.000 0.887 227 P CB 0.096 31.796 31.700 -0.000 0.000 0.792 228 E N -0.761 119.436 120.200 -0.006 0.000 2.150 228 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 228 E C 1.985 178.579 176.600 -0.010 0.000 0.985 228 E CA 0.904 57.301 56.400 -0.005 0.000 0.814 228 E CB -1.343 28.352 29.700 -0.007 0.000 0.752 228 E HN 0.207 nan 8.360 nan 0.000 0.466 229 L N 1.703 122.912 121.223 -0.023 0.000 2.109 229 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 229 L C 2.098 178.949 176.870 -0.031 0.000 1.086 229 L CA 1.671 56.488 54.840 -0.038 0.000 0.760 229 L CB -0.401 41.618 42.059 -0.066 0.000 0.910 229 L HN -0.005 nan 8.230 nan 0.000 0.437 230 E N -0.538 119.656 120.200 -0.009 0.000 2.058 230 E HA -0.291 4.059 4.350 -0.000 0.000 0.194 230 E C 2.121 178.747 176.600 0.042 0.000 0.997 230 E CA 1.466 57.891 56.400 0.042 0.000 0.801 230 E CB -0.158 29.603 29.700 0.102 0.000 0.746 230 E HN 0.425 nan 8.360 nan 0.000 0.450 231 K N 1.064 121.481 120.400 0.029 0.000 2.057 231 K HA -0.201 4.119 4.320 -0.000 0.000 0.207 231 K C 1.896 178.507 176.600 0.017 0.000 1.049 231 K CA 1.452 57.754 56.287 0.025 0.000 0.931 231 K CB 0.075 32.586 32.500 0.018 0.000 0.714 231 K HN 0.086 nan 8.250 nan 0.000 0.440 232 E N -0.457 119.747 120.200 0.007 0.000 2.110 232 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 232 E C 1.868 178.473 176.600 0.008 0.000 0.988 232 E CA 1.856 58.258 56.400 0.004 0.000 0.804 232 E CB -0.029 29.668 29.700 -0.005 0.000 0.745 232 E HN 0.527 nan 8.360 nan 0.000 0.458 233 T N -3.295 111.263 114.554 0.007 0.000 3.054 233 T HA 0.194 4.544 4.350 -0.000 0.000 0.259 233 T C 1.643 176.362 174.700 0.032 0.000 1.092 233 T CA 0.430 62.537 62.100 0.012 0.000 1.121 233 T CB 0.418 69.280 68.868 -0.010 0.000 0.912 233 T HN 0.287 nan 8.240 nan 0.000 0.489 234 G N 1.474 110.299 108.800 0.041 0.000 2.143 234 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.248 234 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.248 234 G C 0.175 175.124 174.900 0.081 0.000 0.991 234 G CA -0.047 45.085 45.100 0.054 0.000 0.689 234 G HN 1.197 nan 8.290 nan 0.000 0.522 235 A N -0.105 122.778 122.820 0.106 0.000 2.309 235 A HA 0.709 5.029 4.320 -0.000 0.000 0.298 235 A C 0.418 178.182 177.584 0.300 0.000 1.165 235 A CA -0.210 51.941 52.037 0.189 0.000 0.821 235 A CB 0.847 19.955 19.000 0.180 0.000 1.102 235 A HN 0.314 nan 8.150 nan 0.000 0.500 236 K N 2.683 123.243 120.400 0.267 0.000 2.265 236 K HA 0.324 4.644 4.320 -0.000 0.000 0.267 236 K C -1.344 175.280 176.600 0.039 0.000 0.994 236 K CA -0.511 55.881 56.287 0.175 0.000 0.860 236 K CB 0.775 33.322 32.500 0.079 0.000 1.099 236 K HN 0.599 nan 8.250 nan 0.000 0.448 237 F N 4.658 124.448 119.950 -0.268 0.000 2.538 237 F HA 0.129 4.656 4.527 -0.000 0.000 0.371 237 F C -0.593 174.995 175.800 -0.353 0.000 1.087 237 F CA -0.082 57.490 58.000 -0.714 0.000 1.250 237 F CB 0.595 39.329 39.000 -0.442 0.000 1.110 237 F HN 0.102 nan 8.300 nan 0.000 0.570 238 V N 7.738 127.126 119.914 -0.876 0.000 2.325 238 V HA 0.126 4.246 4.120 -0.000 0.000 0.280 238 V C 0.769 176.334 176.094 -0.882 0.000 1.016 238 V CA -0.588 61.310 62.300 -0.670 0.000 0.818 238 V CB 0.993 32.622 31.823 -0.323 0.000 1.019 238 V HN 0.907 nan 8.190 nan 0.000 0.434 239 E N 3.081 122.677 120.200 -1.007 0.000 2.110 239 E HA -0.198 4.151 4.350 -0.000 0.000 0.193 239 E C 0.628 177.123 176.600 -0.175 0.000 0.988 239 E CA 1.255 57.231 56.400 -0.708 0.000 0.804 239 E CB 0.307 29.806 29.700 -0.336 0.000 0.745 239 E HN 0.768 nan 8.360 nan 0.000 0.458 240 D N 0.008 120.295 120.400 -0.188 0.000 2.329 240 D HA 0.007 4.647 4.640 -0.000 0.000 0.232 240 D C 0.667 176.812 176.300 -0.259 0.000 1.088 240 D CA -0.400 53.510 54.000 -0.149 0.000 0.835 240 D CB 1.431 42.158 40.800 -0.121 0.000 1.078 240 D HN 0.114 nan 8.370 nan 0.000 0.495 241 L N 4.869 125.800 121.223 -0.488 0.000 2.043 241 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 241 L C 1.283 177.977 176.870 -0.293 0.000 1.075 241 L CA 1.798 56.257 54.840 -0.635 0.000 0.752 241 L CB -0.773 40.774 42.059 -0.854 0.000 0.891 241 L HN 0.422 nan 8.230 nan 0.000 0.432 242 N N -0.291 118.277 118.700 -0.220 0.000 2.289 242 N HA -0.198 4.542 4.740 -0.000 0.000 0.184 242 N C 1.772 177.217 175.510 -0.110 0.000 1.016 242 N CA 1.217 54.181 53.050 -0.143 0.000 0.872 242 N CB -0.148 38.267 38.487 -0.119 0.000 0.973 242 N HN 0.588 nan 8.380 nan 0.000 0.433 243 E N 0.137 120.264 120.200 -0.121 0.000 2.107 243 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 243 E C 1.880 178.425 176.600 -0.091 0.000 0.982 243 E CA 0.547 56.887 56.400 -0.099 0.000 0.809 243 E CB 0.022 29.657 29.700 -0.109 0.000 0.756 243 E HN 0.272 nan 8.360 nan 0.000 0.459 244 M N 0.471 120.005 119.600 -0.110 0.000 2.132 244 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 244 M C 2.058 178.331 176.300 -0.045 0.000 1.065 244 M CA 1.098 56.352 55.300 -0.078 0.000 1.122 244 M CB 0.026 32.580 32.600 -0.076 0.000 1.365 244 M HN 0.172 nan 8.290 nan 0.000 0.411 245 L N 0.585 121.784 121.223 -0.041 0.000 1.997 245 L HA -0.198 4.142 4.340 -0.000 0.000 0.216 245 L C -0.556 176.313 176.870 -0.001 0.000 1.074 245 L CA 1.577 56.417 54.840 0.000 0.000 0.763 245 L CB -2.571 39.499 42.059 0.019 0.000 0.890 245 L HN 0.272 nan 8.230 nan 0.000 0.434 246 P HA -0.144 nan 4.420 nan 0.000 0.226 246 P C 0.985 178.272 177.300 -0.021 0.000 1.153 246 P CA 1.328 64.423 63.100 -0.008 0.000 0.777 246 P CB -0.055 31.640 31.700 -0.010 0.000 0.794 247 K N -1.114 119.269 120.400 -0.027 0.000 2.365 247 K HA 0.061 4.381 4.320 -0.000 0.000 0.197 247 K C 0.500 177.078 176.600 -0.037 0.000 1.042 247 K CA 0.200 56.468 56.287 -0.031 0.000 0.987 247 K CB -0.145 32.336 32.500 -0.031 0.000 0.779 247 K HN 0.156 nan 8.250 nan 0.000 0.484 248 C N 2.613 121.892 119.300 -0.036 0.000 2.394 248 C HA 0.155 4.615 4.460 -0.000 0.000 0.362 248 C C 1.393 176.342 174.990 -0.068 0.000 1.268 248 C CA -0.986 58.005 59.018 -0.045 0.000 1.828 248 C CB 0.401 28.121 27.740 -0.033 0.000 2.442 248 C HN 0.432 nan 8.230 nan 0.000 0.549 249 D N 1.191 121.541 120.400 -0.084 0.000 2.178 249 D HA -0.027 4.613 4.640 -0.000 0.000 0.202 249 D C 0.430 176.663 176.300 -0.112 0.000 0.974 249 D CA 1.325 55.257 54.000 -0.113 0.000 0.841 249 D CB 0.281 41.000 40.800 -0.134 0.000 0.953 249 D HN 0.376 nan 8.370 nan 0.000 0.478 250 V N 1.700 121.555 119.914 -0.098 0.000 2.686 250 V HA 0.288 4.408 4.120 -0.000 0.000 0.306 250 V C -0.496 175.542 176.094 -0.094 0.000 1.065 250 V CA -0.761 61.474 62.300 -0.108 0.000 0.894 250 V CB 3.104 34.856 31.823 -0.117 0.000 1.004 250 V HN -0.097 nan 8.190 nan 0.000 0.424 251 I N 4.628 125.131 120.570 -0.113 0.000 2.465 251 I HA 0.542 4.712 4.170 -0.000 0.000 0.291 251 I C -0.520 175.502 176.117 -0.157 0.000 1.014 251 I CA -0.562 60.672 61.300 -0.109 0.000 1.093 251 I CB 2.193 40.129 38.000 -0.108 0.000 1.267 251 I HN 0.304 nan 8.210 nan 0.000 0.431 252 V N 6.440 126.278 119.914 -0.128 0.000 2.448 252 V HA 0.438 4.558 4.120 -0.000 0.000 0.295 252 V C 0.141 176.156 176.094 -0.132 0.000 1.025 252 V CA -0.784 61.426 62.300 -0.149 0.000 0.859 252 V CB 2.157 33.911 31.823 -0.114 0.000 0.988 252 V HN 0.333 nan 8.190 nan 0.000 0.431 253 I N 4.426 124.889 120.570 -0.177 0.000 2.416 253 I HA 0.367 4.537 4.170 -0.000 0.000 0.288 253 I C 0.466 176.543 176.117 -0.066 0.000 1.051 253 I CA 0.220 61.443 61.300 -0.129 0.000 1.375 253 I CB 0.632 38.529 38.000 -0.172 0.000 1.407 253 I HN 0.640 nan 8.210 nan 0.000 0.516 254 N N 6.385 125.076 118.700 -0.015 0.000 2.595 254 N HA 0.315 5.055 4.740 -0.000 0.000 0.291 254 N C -0.669 174.845 175.510 0.008 0.000 1.706 254 N CA -0.092 52.955 53.050 -0.006 0.000 0.867 254 N CB 0.888 39.372 38.487 -0.005 0.000 1.414 254 N HN 0.534 nan 8.380 nan 0.000 0.492 255 M N 0.249 119.855 119.600 0.010 0.000 2.724 255 M HA 0.561 5.041 4.480 -0.000 0.000 0.310 255 M C -2.276 173.993 176.300 -0.052 0.000 1.217 255 M CA -1.707 53.586 55.300 -0.012 0.000 0.894 255 M CB 1.763 34.377 32.600 0.024 0.000 1.719 255 M HN -0.160 nan 8.290 nan 0.000 0.479 256 P HA 0.173 nan 4.420 nan 0.000 0.274 256 P C -1.195 176.030 177.300 -0.125 0.000 1.256 256 P CA -0.640 62.328 63.100 -0.221 0.000 0.795 256 P CB 0.384 31.646 31.700 -0.731 0.000 1.038 257 L N 1.676 122.890 121.223 -0.015 0.000 2.342 257 L HA 0.375 4.715 4.340 -0.000 0.000 0.285 257 L C 0.095 177.023 176.870 0.097 0.000 1.095 257 L CA 0.570 55.452 54.840 0.069 0.000 0.843 257 L CB -0.970 41.167 42.059 0.130 0.000 1.201 257 L HN 0.550 nan 8.230 nan 0.000 0.445 258 T N -0.309 114.279 114.554 0.057 0.000 2.910 258 T HA 0.350 4.700 4.350 -0.000 0.000 0.287 258 T C 0.742 175.497 174.700 0.092 0.000 1.050 258 T CA -0.281 61.880 62.100 0.102 0.000 1.011 258 T CB 1.001 69.883 68.868 0.025 0.000 1.195 258 T HN 0.605 nan 8.240 nan 0.000 0.540 259 E N 0.177 120.433 120.200 0.094 0.000 2.160 259 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 259 E C 1.785 178.415 176.600 0.052 0.000 0.991 259 E CA 1.193 57.633 56.400 0.067 0.000 0.810 259 E CB -0.018 29.718 29.700 0.060 0.000 0.742 259 E HN 0.613 nan 8.360 nan 0.000 0.466 260 K N -0.578 119.851 120.400 0.049 0.000 2.076 260 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 260 K C 2.316 178.941 176.600 0.042 0.000 1.051 260 K CA 1.613 57.923 56.287 0.039 0.000 0.949 260 K CB -0.027 32.496 32.500 0.037 0.000 0.726 260 K HN 0.214 nan 8.250 nan 0.000 0.443 261 T N -0.986 113.599 114.554 0.052 0.000 3.023 261 T HA -0.061 4.289 4.350 -0.000 0.000 0.266 261 T C 0.978 175.734 174.700 0.093 0.000 1.093 261 T CA -0.016 62.131 62.100 0.077 0.000 1.129 261 T CB -0.111 68.804 68.868 0.079 0.000 0.899 261 T HN 0.031 nan 8.240 nan 0.000 0.491 262 R N 1.313 121.861 120.500 0.079 0.000 2.480 262 R HA 0.314 4.654 4.340 -0.000 0.000 0.303 262 R C 1.402 177.748 176.300 0.076 0.000 0.985 262 R CA 1.013 57.163 56.100 0.083 0.000 1.051 262 R CB -0.585 29.756 30.300 0.068 0.000 0.935 262 R HN 0.529 nan 8.270 nan 0.000 0.410 263 G N 4.557 113.415 108.800 0.097 0.000 2.180 263 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.263 263 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.263 263 G C 0.692 175.635 174.900 0.072 0.000 0.989 263 G CA 0.806 45.959 45.100 0.088 0.000 0.692 263 G HN 0.806 nan 8.290 nan 0.000 0.526 264 M N -1.857 117.791 119.600 0.080 0.000 2.159 264 M HA 0.289 4.769 4.480 -0.000 0.000 0.263 264 M C 1.164 177.366 176.300 -0.164 0.000 1.063 264 M CA 1.242 56.523 55.300 -0.031 0.000 1.110 264 M CB -0.108 32.470 32.600 -0.037 0.000 1.374 264 M HN 0.054 nan 8.290 nan 0.000 0.411 265 F N 3.740 123.715 119.950 0.042 0.000 2.679 265 F HA 0.197 4.724 4.527 -0.000 0.000 0.351 265 F C 0.501 176.326 175.800 0.042 0.000 1.279 265 F CA -0.807 57.218 58.000 0.041 0.000 1.227 265 F CB -0.947 38.085 39.000 0.053 0.000 1.623 265 F HN 0.405 nan 8.300 nan 0.000 0.666 266 N N 0.733 119.460 118.700 0.046 0.000 2.643 266 N HA 0.197 4.937 4.740 -0.000 0.000 0.305 266 N C 1.224 176.754 175.510 0.035 0.000 1.283 266 N CA -0.824 52.252 53.050 0.044 0.000 0.946 266 N CB 0.365 38.855 38.487 0.004 0.000 1.149 266 N HN 0.231 nan 8.380 nan 0.000 0.600 267 K N -0.198 120.213 120.400 0.020 0.000 2.034 267 K HA -0.330 3.990 4.320 -0.000 0.000 0.214 267 K C 1.673 178.265 176.600 -0.015 0.000 1.051 267 K CA 2.252 58.543 56.287 0.006 0.000 0.931 267 K CB -0.254 32.243 32.500 -0.004 0.000 0.715 267 K HN 0.725 nan 8.250 nan 0.000 0.446 268 E N 0.083 120.265 120.200 -0.031 0.000 2.047 268 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 268 E C 2.122 178.688 176.600 -0.058 0.000 0.987 268 E CA 1.112 57.483 56.400 -0.048 0.000 0.799 268 E CB -0.227 29.441 29.700 -0.053 0.000 0.752 268 E HN 0.328 nan 8.360 nan 0.000 0.449 269 L N 0.800 121.972 121.223 -0.086 0.000 2.083 269 L HA -0.068 4.271 4.340 -0.000 0.000 0.209 269 L C 2.181 179.045 176.870 -0.010 0.000 1.083 269 L CA 1.467 56.225 54.840 -0.137 0.000 0.752 269 L CB -0.205 41.637 42.059 -0.361 0.000 0.899 269 L HN 0.318 nan 8.230 nan 0.000 0.433 270 I N -1.149 119.465 120.570 0.073 0.000 2.546 270 I HA -0.151 4.019 4.170 -0.000 0.000 0.255 270 I C 2.322 178.537 176.117 0.163 0.000 1.163 270 I CA 0.993 62.404 61.300 0.184 0.000 1.457 270 I CB -0.793 37.319 38.000 0.188 0.000 1.092 270 I HN 0.363 nan 8.210 nan 0.000 0.434 271 G N 0.776 109.586 108.800 0.017 0.000 2.443 271 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.219 271 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.219 271 G C 1.661 176.573 174.900 0.020 0.000 1.131 271 G CA 0.354 45.393 45.100 -0.102 0.000 0.775 271 G HN 0.337 nan 8.290 nan 0.000 0.547 272 K N -0.374 120.057 120.400 0.051 0.000 2.432 272 K HA 0.205 4.525 4.320 -0.000 0.000 0.196 272 K C 0.620 177.278 176.600 0.098 0.000 1.038 272 K CA -0.226 56.090 56.287 0.049 0.000 0.986 272 K CB 0.022 32.520 32.500 -0.004 0.000 0.782 272 K HN 0.273 nan 8.250 nan 0.000 0.485 273 L N 1.658 122.989 121.223 0.179 0.000 2.436 273 L HA 0.109 4.449 4.340 -0.000 0.000 0.265 273 L C 0.633 177.544 176.870 0.068 0.000 1.168 273 L CA -0.451 54.462 54.840 0.121 0.000 0.815 273 L CB 0.289 42.417 42.059 0.116 0.000 1.109 273 L HN 0.026 nan 8.230 nan 0.000 0.462 274 K N 2.649 123.034 120.400 -0.025 0.000 2.489 274 K HA -0.022 4.298 4.320 -0.000 0.000 0.278 274 K C 0.137 176.603 176.600 -0.223 0.000 1.000 274 K CA -0.163 56.081 56.287 -0.071 0.000 1.012 274 K CB 0.473 32.928 32.500 -0.076 0.000 0.903 274 K HN 0.411 nan 8.250 nan 0.000 0.485 275 K N 2.685 122.973 120.400 -0.186 0.000 2.472 275 K HA -0.088 4.232 4.320 -0.000 0.000 0.280 275 K C 0.449 176.909 176.600 -0.232 0.000 1.028 275 K CA 1.338 57.444 56.287 -0.302 0.000 1.045 275 K CB -0.056 32.424 32.500 -0.033 0.000 0.902 275 K HN 0.920 nan 8.250 nan 0.000 0.478 276 G N 2.427 111.068 108.800 -0.266 0.000 2.143 276 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.249 276 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.249 276 G C 0.154 174.963 174.900 -0.152 0.000 0.981 276 G CA 0.188 45.198 45.100 -0.151 0.000 0.665 276 G HN 0.643 nan 8.290 nan 0.000 0.528 277 V N 0.861 120.660 119.914 -0.192 0.000 2.814 277 V HA 0.345 4.465 4.120 -0.000 0.000 0.307 277 V C 0.883 176.905 176.094 -0.121 0.000 1.089 277 V CA 0.497 62.710 62.300 -0.146 0.000 1.212 277 V CB 0.645 32.387 31.823 -0.135 0.000 0.912 277 V HN 0.364 nan 8.190 nan 0.000 0.497 278 L N 7.677 128.828 121.223 -0.119 0.000 2.282 278 L HA 0.552 4.892 4.340 -0.000 0.000 0.288 278 L C -0.261 176.518 176.870 -0.152 0.000 1.033 278 L CA -0.312 54.454 54.840 -0.123 0.000 0.807 278 L CB 1.395 43.381 42.059 -0.122 0.000 1.209 278 L HN 0.503 nan 8.230 nan 0.000 0.423 279 I N 3.777 124.240 120.570 -0.178 0.000 2.378 279 I HA 0.398 4.568 4.170 -0.000 0.000 0.291 279 I C -0.470 175.381 176.117 -0.444 0.000 0.992 279 I CA -0.808 60.337 61.300 -0.259 0.000 1.154 279 I CB 2.153 40.053 38.000 -0.166 0.000 1.315 279 I HN 0.209 nan 8.210 nan 0.000 0.448 280 V N 5.225 124.892 119.914 -0.411 0.000 2.417 280 V HA 0.394 4.514 4.120 -0.000 0.000 0.291 280 V C -0.364 175.460 176.094 -0.450 0.000 1.024 280 V CA -0.526 61.504 62.300 -0.450 0.000 0.861 280 V CB 1.670 33.317 31.823 -0.293 0.000 0.985 280 V HN 0.738 nan 8.190 nan 0.000 0.436 281 N N 3.632 122.006 118.700 -0.543 0.000 2.648 281 N HA 0.312 5.052 4.740 -0.000 0.000 0.261 281 N C -0.294 175.060 175.510 -0.261 0.000 1.138 281 N CA -0.319 52.511 53.050 -0.368 0.000 0.804 281 N CB 0.802 39.081 38.487 -0.345 0.000 1.237 281 N HN 0.462 nan 8.380 nan 0.000 0.532 282 N N 1.292 119.887 118.700 -0.175 0.000 2.279 282 N HA 0.288 5.028 4.740 -0.000 0.000 0.226 282 N C 0.704 176.176 175.510 -0.063 0.000 1.126 282 N CA 0.056 53.043 53.050 -0.106 0.000 0.846 282 N CB 0.864 39.314 38.487 -0.062 0.000 1.050 282 N HN 0.596 nan 8.380 nan 0.000 0.502 283 A N 0.266 123.049 122.820 -0.062 0.000 1.974 283 A HA 0.361 4.681 4.320 -0.000 0.000 0.219 283 A C 0.559 178.138 177.584 -0.008 0.000 1.479 283 A CA 0.827 52.851 52.037 -0.022 0.000 0.615 283 A CB 0.494 19.484 19.000 -0.016 0.000 1.130 283 A HN 0.033 nan 8.150 nan 0.000 0.497 284 R N -2.139 118.374 120.500 0.021 0.000 2.626 284 R HA 0.366 4.705 4.340 -0.000 0.000 0.274 284 R C 0.824 177.193 176.300 0.115 0.000 1.031 284 R CA 0.111 56.245 56.100 0.056 0.000 0.898 284 R CB 1.088 31.441 30.300 0.090 0.000 1.222 284 R HN 0.442 nan 8.270 nan 0.000 0.455 285 G N 0.859 109.753 108.800 0.157 0.000 2.422 285 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 285 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 285 G C 1.003 176.066 174.900 0.272 0.000 1.146 285 G CA 1.017 46.290 45.100 0.287 0.000 0.769 285 G HN 0.594 nan 8.290 nan 0.000 0.547 286 A N 0.284 123.207 122.820 0.171 0.000 2.206 286 A HA 0.274 4.594 4.320 -0.000 0.000 0.211 286 A C 2.183 179.861 177.584 0.157 0.000 1.158 286 A CA 0.308 52.428 52.037 0.138 0.000 0.761 286 A CB -0.279 18.779 19.000 0.096 0.000 0.801 286 A HN 0.388 nan 8.150 nan 0.000 0.473 287 I N -0.047 120.627 120.570 0.174 0.000 2.335 287 I HA -0.178 3.992 4.170 -0.000 0.000 0.251 287 I C 0.592 176.871 176.117 0.269 0.000 1.129 287 I CA 0.583 62.002 61.300 0.199 0.000 1.402 287 I CB -0.233 37.872 38.000 0.175 0.000 1.069 287 I HN 0.296 nan 8.210 nan 0.000 0.424 288 M N 0.706 120.474 119.600 0.279 0.000 2.314 288 M HA 0.264 4.744 4.480 -0.000 0.000 0.342 288 M C 0.024 176.482 176.300 0.263 0.000 1.171 288 M CA -0.055 55.429 55.300 0.307 0.000 1.098 288 M CB 0.610 33.397 32.600 0.313 0.000 1.559 288 M HN -0.005 nan 8.290 nan 0.000 0.459 289 E N 1.783 122.112 120.200 0.214 0.000 2.290 289 E HA 0.112 4.462 4.350 -0.000 0.000 0.277 289 E C 0.869 177.582 176.600 0.189 0.000 1.035 289 E CA -0.156 56.333 56.400 0.148 0.000 0.873 289 E CB 1.655 31.415 29.700 0.100 0.000 1.029 289 E HN 0.518 nan 8.360 nan 0.000 0.419 290 R N 2.723 123.288 120.500 0.108 0.000 2.097 290 R HA -0.270 4.070 4.340 -0.000 0.000 0.236 290 R C 1.934 178.343 176.300 0.182 0.000 1.135 290 R CA 1.999 58.145 56.100 0.075 0.000 0.934 290 R CB 0.031 30.171 30.300 -0.265 0.000 0.846 290 R HN 0.426 nan 8.270 nan 0.000 0.431 291 Q N 0.010 119.853 119.800 0.070 0.000 2.172 291 Q HA 0.005 4.345 4.340 -0.000 0.000 0.200 291 Q C 1.783 177.835 176.000 0.087 0.000 0.964 291 Q CA 1.801 57.646 55.803 0.069 0.000 0.855 291 Q CB -0.206 28.545 28.738 0.022 0.000 0.918 291 Q HN 0.452 nan 8.270 nan 0.000 0.444 292 A N -0.552 122.320 122.820 0.087 0.000 1.908 292 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 292 A C 2.237 179.866 177.584 0.074 0.000 1.181 292 A CA 1.800 53.882 52.037 0.076 0.000 0.627 292 A CB -0.920 18.130 19.000 0.082 0.000 0.818 292 A HN 0.267 nan 8.150 nan 0.000 0.445 293 V N -0.409 119.557 119.914 0.087 0.000 2.295 293 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 293 V C 2.587 178.664 176.094 -0.028 0.000 1.049 293 V CA 1.957 64.230 62.300 -0.045 0.000 1.024 293 V CB -0.807 30.843 31.823 -0.288 0.000 0.648 293 V HN 0.384 nan 8.190 nan 0.000 0.447 294 V N 0.285 120.257 119.914 0.096 0.000 2.287 294 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 294 V C 2.300 178.430 176.094 0.060 0.000 1.053 294 V CA 2.316 64.675 62.300 0.098 0.000 1.027 294 V CB -0.745 31.173 31.823 0.158 0.000 0.646 294 V HN 0.553 nan 8.190 nan 0.000 0.447 295 D N 0.391 120.825 120.400 0.057 0.000 2.117 295 D HA -0.100 4.540 4.640 -0.000 0.000 0.197 295 D C 2.163 178.491 176.300 0.047 0.000 0.987 295 D CA 1.713 55.741 54.000 0.046 0.000 0.829 295 D CB -0.316 40.506 40.800 0.037 0.000 0.961 295 D HN 0.460 nan 8.370 nan 0.000 0.460 296 A N 0.347 123.198 122.820 0.051 0.000 2.067 296 A HA -0.027 4.292 4.320 -0.000 0.000 0.217 296 A C 2.424 180.051 177.584 0.072 0.000 1.156 296 A CA 0.555 52.642 52.037 0.083 0.000 0.683 296 A CB -0.319 18.752 19.000 0.118 0.000 0.808 296 A HN 0.120 nan 8.150 nan 0.000 0.455 297 V N 0.154 120.084 119.914 0.027 0.000 2.379 297 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 297 V C 2.325 178.442 176.094 0.038 0.000 1.044 297 V CA 2.153 64.461 62.300 0.013 0.000 1.036 297 V CB -0.710 31.095 31.823 -0.030 0.000 0.664 297 V HN 0.628 nan 8.190 nan 0.000 0.453 298 E N 0.643 120.871 120.200 0.046 0.000 2.150 298 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 298 E C 2.258 178.889 176.600 0.051 0.000 0.985 298 E CA 1.495 57.926 56.400 0.051 0.000 0.814 298 E CB -0.186 29.546 29.700 0.052 0.000 0.752 298 E HN 0.724 nan 8.360 nan 0.000 0.466 299 S N -0.820 114.914 115.700 0.057 0.000 2.527 299 S HA 0.088 4.558 4.470 -0.000 0.000 0.222 299 S C 1.709 176.355 174.600 0.076 0.000 0.985 299 S CA 0.587 58.825 58.200 0.063 0.000 0.921 299 S CB 0.370 63.610 63.200 0.066 0.000 0.772 299 S HN 0.373 nan 8.310 nan 0.000 0.529 300 G N 0.604 109.448 108.800 0.073 0.000 2.176 300 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.253 300 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.253 300 G C 0.508 175.444 174.900 0.060 0.000 0.979 300 G CA 0.679 45.815 45.100 0.060 0.000 0.641 300 G HN 0.684 nan 8.290 nan 0.000 0.530 301 H N 0.153 119.231 119.070 0.013 0.000 2.389 301 H HA 0.296 4.852 4.556 -0.000 0.000 0.299 301 H C 1.389 176.720 175.328 0.005 0.000 1.081 301 H CA 1.464 57.517 56.048 0.009 0.000 1.345 301 H CB 0.008 29.776 29.762 0.010 0.000 1.393 301 H HN 0.471 nan 8.280 nan 0.000 0.520 302 I N 0.847 121.409 120.570 -0.013 0.000 2.304 302 I HA 0.132 4.302 4.170 -0.000 0.000 0.291 302 I C 1.517 177.606 176.117 -0.046 0.000 1.018 302 I CA -0.021 61.242 61.300 -0.060 0.000 1.260 302 I CB 1.904 39.896 38.000 -0.013 0.000 1.390 302 I HN 0.327 nan 8.210 nan 0.000 0.475 303 G N 4.587 113.345 108.800 -0.070 0.000 2.448 303 G HA2 0.253 4.212 3.960 -0.000 0.000 0.218 303 G HA3 0.253 4.212 3.960 -0.000 0.000 0.218 303 G C 0.628 175.509 174.900 -0.031 0.000 1.135 303 G CA 0.643 45.717 45.100 -0.043 0.000 0.784 303 G HN 0.774 nan 8.290 nan 0.000 0.543 304 G N -1.985 106.791 108.800 -0.041 0.000 2.655 304 G HA2 0.447 4.407 3.960 -0.000 0.000 0.296 304 G HA3 0.447 4.407 3.960 -0.000 0.000 0.296 304 G C -2.324 172.554 174.900 -0.036 0.000 1.485 304 G CA -0.701 44.377 45.100 -0.036 0.000 0.869 304 G HN 0.216 nan 8.290 nan 0.000 0.540 305 Y N 0.935 121.113 120.300 -0.204 0.000 2.421 305 Y HA 0.750 5.300 4.550 -0.000 0.000 0.339 305 Y C -0.578 175.148 175.900 -0.290 0.000 0.996 305 Y CA -0.808 57.114 58.100 -0.297 0.000 1.046 305 Y CB 2.494 40.696 38.460 -0.431 0.000 1.226 305 Y HN 0.742 nan 8.280 nan 0.000 0.445 306 S N 4.011 119.292 115.700 -0.698 0.000 2.614 306 S HA 0.918 5.388 4.470 -0.000 0.000 0.288 306 S C -0.759 173.450 174.600 -0.652 0.000 1.137 306 S CA 0.213 58.113 58.200 -0.501 0.000 0.992 306 S CB 1.051 64.073 63.200 -0.296 0.000 1.026 306 S HN 1.324 nan 8.310 nan 0.000 0.486 307 G N 2.137 110.653 108.800 -0.473 0.000 2.559 307 G HA2 0.426 4.386 3.960 -0.000 0.000 0.291 307 G HA3 0.426 4.386 3.960 -0.000 0.000 0.291 307 G C -0.864 173.918 174.900 -0.198 0.000 1.424 307 G CA -0.339 44.544 45.100 -0.361 0.000 0.786 307 G HN 0.606 nan 8.290 nan 0.000 0.485 308 D N -1.589 118.751 120.400 -0.100 0.000 2.398 308 D HA 0.100 4.739 4.640 -0.000 0.000 0.210 308 D C 0.979 177.348 176.300 0.115 0.000 1.094 308 D CA 0.433 54.483 54.000 0.084 0.000 0.839 308 D CB 0.427 41.317 40.800 0.150 0.000 0.963 308 D HN 0.694 nan 8.370 nan 0.000 0.506 309 V N -2.588 117.268 119.914 -0.097 0.000 2.581 309 V HA 0.842 4.962 4.120 -0.000 0.000 0.303 309 V C -1.325 174.786 176.094 0.028 0.000 1.041 309 V CA -0.910 61.364 62.300 -0.043 0.000 0.907 309 V CB 1.276 32.996 31.823 -0.172 0.000 0.994 309 V HN 0.019 nan 8.190 nan 0.000 0.442 310 W N 0.848 122.174 121.300 0.043 0.000 3.031 310 W HA 0.706 5.366 4.660 -0.000 0.000 0.337 310 W C -1.125 175.388 176.519 -0.010 0.000 1.187 310 W CA -0.536 56.806 57.345 -0.005 0.000 1.166 310 W CB 1.531 30.907 29.460 -0.140 0.000 1.437 310 W HN 0.692 nan 8.180 nan 0.000 0.551 311 D N 2.006 122.509 120.400 0.171 0.000 2.408 311 D HA 0.492 5.132 4.640 -0.000 0.000 0.243 311 D C -2.254 174.134 176.300 0.146 0.000 1.075 311 D CA -1.859 52.218 54.000 0.129 0.000 0.832 311 D CB 1.911 42.733 40.800 0.037 0.000 1.162 311 D HN -0.089 nan 8.370 nan 0.000 0.515 312 P HA 0.302 nan 4.420 nan 0.000 0.297 312 P C -1.059 176.360 177.300 0.199 0.000 1.307 312 P CA -0.601 62.598 63.100 0.164 0.000 0.773 312 P CB 0.966 32.720 31.700 0.090 0.000 1.265 313 Q N -0.331 119.622 119.800 0.254 0.000 2.321 313 Q HA 0.441 4.781 4.340 -0.000 0.000 0.270 313 Q C -2.431 173.605 176.000 0.060 0.000 1.032 313 Q CA -2.008 53.870 55.803 0.125 0.000 0.784 313 Q CB 1.553 30.382 28.738 0.152 0.000 1.264 313 Q HN 0.294 nan 8.270 nan 0.000 0.448 314 P HA -0.017 nan 4.420 nan 0.000 0.268 314 P C -1.062 176.195 177.300 -0.072 0.000 1.205 314 P CA 0.085 63.180 63.100 -0.008 0.000 0.771 314 P CB 0.559 32.282 31.700 0.040 0.000 0.858 315 A N 5.103 127.761 122.820 -0.270 0.000 2.454 315 A HA 0.371 4.690 4.320 -0.000 0.000 0.260 315 A C -1.915 175.567 177.584 -0.171 0.000 1.106 315 A CA -0.957 50.890 52.037 -0.317 0.000 0.780 315 A CB -1.141 17.274 19.000 -0.975 0.000 1.044 315 A HN 0.414 nan 8.150 nan 0.000 0.498 316 P HA 0.051 nan 4.420 nan 0.000 0.269 316 P C 0.915 178.235 177.300 0.034 0.000 1.217 316 P CA -0.308 62.805 63.100 0.021 0.000 0.783 316 P CB 0.563 32.297 31.700 0.056 0.000 0.898 317 K N 1.540 121.973 120.400 0.055 0.000 2.113 317 K HA -0.213 4.106 4.320 -0.000 0.000 0.208 317 K C 0.902 177.639 176.600 0.228 0.000 1.047 317 K CA 1.998 58.350 56.287 0.109 0.000 0.928 317 K CB -0.242 32.316 32.500 0.096 0.000 0.716 317 K HN 0.546 nan 8.250 nan 0.000 0.446 318 D N -1.045 119.474 120.400 0.198 0.000 2.328 318 D HA -0.110 4.530 4.640 -0.000 0.000 0.221 318 D C 0.256 176.734 176.300 0.296 0.000 1.072 318 D CA -0.104 54.054 54.000 0.263 0.000 0.850 318 D CB -0.546 40.331 40.800 0.128 0.000 0.922 318 D HN 0.160 nan 8.370 nan 0.000 0.516 319 H N 2.336 121.494 119.070 0.147 0.000 3.107 319 H HA 0.018 4.574 4.556 -0.000 0.000 0.301 319 H C -1.428 174.015 175.328 0.191 0.000 0.981 319 H CA -0.844 55.272 56.048 0.113 0.000 1.443 319 H CB 1.447 31.266 29.762 0.095 0.000 1.479 319 H HN -0.005 nan 8.280 nan 0.000 0.564 320 P HA -0.111 nan 4.420 nan 0.000 0.229 320 P C 1.194 178.776 177.300 0.470 0.000 1.160 320 P CA 0.601 63.896 63.100 0.326 0.000 0.777 320 P CB 0.003 31.798 31.700 0.159 0.000 0.814 321 W N 1.485 123.025 121.300 0.400 0.000 2.421 321 W HA 0.022 4.682 4.660 -0.000 0.000 0.270 321 W C 2.284 178.854 176.519 0.086 0.000 1.233 321 W CA 0.508 57.947 57.345 0.157 0.000 1.226 321 W CB -1.281 28.156 29.460 -0.038 0.000 1.121 321 W HN 0.069 nan 8.180 nan 0.000 0.579 322 R N -1.494 119.167 120.500 0.268 0.000 2.148 322 R HA -0.113 4.226 4.340 -0.000 0.000 0.223 322 R C 1.144 177.221 176.300 -0.371 0.000 1.088 322 R CA 1.303 57.302 56.100 -0.169 0.000 0.985 322 R CB -0.435 29.404 30.300 -0.768 0.000 0.880 322 R HN 0.277 nan 8.270 nan 0.000 0.451 323 Y N -0.221 120.231 120.300 0.253 0.000 2.453 323 Y HA 0.231 4.781 4.550 -0.000 0.000 0.247 323 Y C 0.826 176.808 175.900 0.137 0.000 1.124 323 Y CA -0.932 57.270 58.100 0.170 0.000 1.243 323 Y CB 0.294 38.840 38.460 0.143 0.000 1.213 323 Y HN -0.048 nan 8.280 nan 0.000 0.523 324 M N 0.972 120.710 119.600 0.229 0.000 2.245 324 M HA 0.376 4.856 4.480 -0.000 0.000 0.330 324 M C -2.647 173.718 176.300 0.110 0.000 1.098 324 M CA -1.804 53.590 55.300 0.156 0.000 1.172 324 M CB -0.134 32.537 32.600 0.119 0.000 1.467 324 M HN -0.229 nan 8.290 nan 0.000 0.454 325 P HA 0.044 nan 4.420 nan 0.000 0.266 325 P C -0.481 176.850 177.300 0.051 0.000 1.193 325 P CA 0.391 63.534 63.100 0.072 0.000 0.770 325 P CB 0.271 32.009 31.700 0.063 0.000 0.836 326 N N -1.762 116.967 118.700 0.048 0.000 2.863 326 N HA -0.194 4.546 4.740 -0.000 0.000 0.245 326 N C -0.053 175.468 175.510 0.019 0.000 1.001 326 N CA 1.071 54.138 53.050 0.028 0.000 0.901 326 N CB -1.494 37.004 38.487 0.018 0.000 1.124 326 N HN 0.643 nan 8.380 nan 0.000 0.582 327 Q N 0.213 120.032 119.800 0.030 0.000 2.364 327 Q HA 0.576 4.915 4.340 -0.000 0.000 0.267 327 Q C 0.169 176.179 176.000 0.018 0.000 0.999 327 Q CA 0.459 56.272 55.803 0.018 0.000 0.886 327 Q CB 0.942 29.699 28.738 0.032 0.000 1.243 327 Q HN 0.255 nan 8.270 nan 0.000 0.415 328 A N 4.561 127.371 122.820 -0.016 0.000 3.214 328 A HA 0.396 4.716 4.320 -0.000 0.000 0.304 328 A C -0.653 176.911 177.584 -0.033 0.000 0.969 328 A CA -0.765 51.266 52.037 -0.010 0.000 0.986 328 A CB 0.111 19.097 19.000 -0.024 0.000 1.073 328 A HN 0.677 nan 8.150 nan 0.000 0.487 329 M N 1.095 120.700 119.600 0.008 0.000 2.283 329 M HA 0.480 4.960 4.480 -0.000 0.000 0.314 329 M C 0.693 177.071 176.300 0.130 0.000 1.153 329 M CA 0.238 55.557 55.300 0.031 0.000 1.084 329 M CB 0.957 33.606 32.600 0.081 0.000 1.468 329 M HN 0.641 nan 8.290 nan 0.000 0.474 330 T N -1.197 113.477 114.554 0.199 0.000 2.838 330 T HA 0.751 5.101 4.350 -0.000 0.000 0.292 330 T C -2.855 172.103 174.700 0.429 0.000 1.113 330 T CA -1.735 60.501 62.100 0.226 0.000 1.008 330 T CB 1.763 70.693 68.868 0.103 0.000 1.259 330 T HN 0.261 nan 8.240 nan 0.000 0.520 331 P HA 0.182 nan 4.420 nan 0.000 0.282 331 P C -0.563 176.933 177.300 0.327 0.000 1.286 331 P CA -0.448 62.786 63.100 0.223 0.000 0.777 331 P CB 0.055 31.758 31.700 0.005 0.000 1.184 332 H N 0.047 119.242 119.070 0.208 0.000 3.224 332 H HA 0.139 4.695 4.556 -0.000 0.000 0.265 332 H C 0.304 175.760 175.328 0.213 0.000 1.461 332 H CA -0.025 56.187 56.048 0.274 0.000 1.509 332 H CB -0.167 29.790 29.762 0.325 0.000 1.686 332 H HN 0.328 nan 8.280 nan 0.000 0.514 333 T N -1.007 113.717 114.554 0.284 0.000 2.958 333 T HA -0.058 4.292 4.350 -0.000 0.000 0.256 333 T C 2.002 176.710 174.700 0.013 0.000 0.983 333 T CA 0.265 62.373 62.100 0.012 0.000 0.924 333 T CB 0.046 68.886 68.868 -0.047 0.000 1.136 333 T HN 0.463 nan 8.240 nan 0.000 0.506 334 S N 1.649 117.452 115.700 0.171 0.000 2.406 334 S HA 0.152 4.622 4.470 -0.000 0.000 0.228 334 S C 2.176 176.847 174.600 0.120 0.000 1.020 334 S CA 0.843 59.107 58.200 0.105 0.000 0.965 334 S CB -1.082 62.178 63.200 0.100 0.000 0.798 334 S HN 0.587 nan 8.310 nan 0.000 0.488 335 G N -0.194 108.765 108.800 0.265 0.000 3.088 335 G HA2 0.223 4.183 3.960 -0.000 0.000 0.212 335 G HA3 0.223 4.183 3.960 -0.000 0.000 0.212 335 G C 0.644 175.619 174.900 0.126 0.000 1.173 335 G CA 0.594 45.893 45.100 0.332 0.000 0.779 335 G HN 0.524 nan 8.290 nan 0.000 0.540 336 T N 1.061 115.452 114.554 -0.273 0.000 3.487 336 T HA 0.284 4.634 4.350 -0.000 0.000 0.287 336 T C 0.946 175.510 174.700 -0.226 0.000 1.004 336 T CA 0.071 61.925 62.100 -0.409 0.000 0.977 336 T CB -0.557 67.640 68.868 -1.118 0.000 1.180 336 T HN 0.299 nan 8.240 nan 0.000 0.490 337 T N -0.045 114.423 114.554 -0.143 0.000 2.802 337 T HA 0.262 4.612 4.350 -0.000 0.000 0.305 337 T C 1.870 176.480 174.700 -0.150 0.000 1.053 337 T CA -0.824 61.191 62.100 -0.141 0.000 1.058 337 T CB 0.495 69.302 68.868 -0.101 0.000 0.988 337 T HN 0.025 nan 8.240 nan 0.000 0.539 338 I N 1.068 121.542 120.570 -0.160 0.000 2.163 338 I HA -0.170 4.000 4.170 -0.000 0.000 0.243 338 I C 2.181 178.212 176.117 -0.145 0.000 1.085 338 I CA 1.603 62.813 61.300 -0.150 0.000 1.347 338 I CB -1.217 36.695 38.000 -0.146 0.000 1.044 338 I HN 0.723 nan 8.210 nan 0.000 0.408 339 D N 1.007 121.335 120.400 -0.119 0.000 2.144 339 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 339 D C 2.230 178.458 176.300 -0.120 0.000 0.984 339 D CA 1.498 55.435 54.000 -0.105 0.000 0.834 339 D CB 0.034 40.790 40.800 -0.074 0.000 0.955 339 D HN 0.337 nan 8.370 nan 0.000 0.465 340 A N 1.177 123.930 122.820 -0.113 0.000 1.898 340 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 340 A C 2.183 179.544 177.584 -0.371 0.000 1.181 340 A CA 1.307 53.289 52.037 -0.091 0.000 0.620 340 A CB -0.625 18.402 19.000 0.044 0.000 0.819 340 A HN 0.193 nan 8.150 nan 0.000 0.442 341 Q N -0.369 119.107 119.800 -0.540 0.000 2.112 341 Q HA -0.166 4.174 4.340 -0.000 0.000 0.206 341 Q C 2.081 177.681 176.000 -0.666 0.000 0.987 341 Q CA 1.599 56.838 55.803 -0.940 0.000 0.858 341 Q CB -0.417 28.056 28.738 -0.442 0.000 0.905 341 Q HN 0.667 nan 8.270 nan 0.000 0.420 342 L N 0.139 121.150 121.223 -0.353 0.000 2.042 342 L HA -0.227 4.112 4.340 -0.000 0.000 0.210 342 L C 2.571 179.313 176.870 -0.213 0.000 1.076 342 L CA 1.400 56.098 54.840 -0.236 0.000 0.749 342 L CB -0.263 41.704 42.059 -0.153 0.000 0.893 342 L HN 0.174 nan 8.230 nan 0.000 0.432 343 R N -0.956 119.429 120.500 -0.192 0.000 2.073 343 R HA -0.163 4.177 4.340 -0.000 0.000 0.229 343 R C 2.366 178.642 176.300 -0.040 0.000 1.120 343 R CA 1.684 57.727 56.100 -0.095 0.000 0.967 343 R CB -0.423 29.852 30.300 -0.041 0.000 0.862 343 R HN 0.467 nan 8.270 nan 0.000 0.436 344 Y N -0.962 119.324 120.300 -0.024 0.000 2.395 344 Y HA 0.254 4.804 4.550 -0.000 0.000 0.293 344 Y C 2.066 177.933 175.900 -0.055 0.000 1.123 344 Y CA 0.020 58.109 58.100 -0.019 0.000 1.227 344 Y CB -0.746 37.739 38.460 0.042 0.000 1.012 344 Y HN -0.087 nan 8.280 nan 0.000 0.552 345 A N 1.623 124.420 122.820 -0.038 0.000 1.902 345 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 345 A C 2.531 180.055 177.584 -0.100 0.000 1.181 345 A CA 2.090 54.093 52.037 -0.057 0.000 0.623 345 A CB -1.369 17.528 19.000 -0.172 0.000 0.818 345 A HN 0.629 nan 8.150 nan 0.000 0.443 346 A N -0.508 122.240 122.820 -0.120 0.000 1.902 346 A HA 0.135 4.454 4.320 -0.000 0.000 0.217 346 A C 2.402 179.906 177.584 -0.133 0.000 1.181 346 A CA 1.887 53.839 52.037 -0.141 0.000 0.623 346 A CB -1.356 17.573 19.000 -0.120 0.000 0.818 346 A HN 0.734 nan 8.150 nan 0.000 0.443 347 G N -1.286 107.463 108.800 -0.084 0.000 2.432 347 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.219 347 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.219 347 G C 1.536 176.346 174.900 -0.150 0.000 1.135 347 G CA 1.610 46.652 45.100 -0.097 0.000 0.767 347 G HN 0.433 nan 8.290 nan 0.000 0.550 348 T N 0.259 114.746 114.554 -0.112 0.000 2.737 348 T HA -0.058 4.292 4.350 -0.000 0.000 0.265 348 T C 2.227 176.807 174.700 -0.200 0.000 1.038 348 T CA 1.449 63.466 62.100 -0.138 0.000 1.144 348 T CB -0.127 68.724 68.868 -0.029 0.000 0.866 348 T HN 0.387 nan 8.240 nan 0.000 0.434 349 K N 0.873 121.132 120.400 -0.235 0.000 2.063 349 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 349 K C 2.061 178.465 176.600 -0.327 0.000 1.048 349 K CA 1.956 58.009 56.287 -0.390 0.000 0.928 349 K CB -0.225 31.939 32.500 -0.559 0.000 0.713 349 K HN 0.247 nan 8.250 nan 0.000 0.442 350 D N 0.040 120.296 120.400 -0.240 0.000 2.097 350 D HA -0.153 4.487 4.640 -0.000 0.000 0.195 350 D C 1.993 178.208 176.300 -0.142 0.000 0.989 350 D CA 1.504 55.414 54.000 -0.150 0.000 0.827 350 D CB 0.094 40.821 40.800 -0.122 0.000 0.966 350 D HN 0.211 nan 8.370 nan 0.000 0.456 351 M N -0.352 119.072 119.600 -0.293 0.000 2.117 351 M HA -0.129 4.351 4.480 -0.000 0.000 0.262 351 M C 2.270 178.396 176.300 -0.291 0.000 1.065 351 M CA 1.008 55.985 55.300 -0.538 0.000 1.114 351 M CB -0.252 31.705 32.600 -1.071 0.000 1.361 351 M HN 0.163 nan 8.290 nan 0.000 0.408 352 L N -0.138 120.934 121.223 -0.251 0.000 2.042 352 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 352 L C 2.508 179.213 176.870 -0.275 0.000 1.076 352 L CA 1.645 56.309 54.840 -0.294 0.000 0.749 352 L CB -0.693 41.300 42.059 -0.110 0.000 0.893 352 L HN 0.397 nan 8.230 nan 0.000 0.432 353 E N 0.364 120.657 120.200 0.155 0.000 2.051 353 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 353 E C 2.342 179.076 176.600 0.224 0.000 0.991 353 E CA 1.147 57.771 56.400 0.373 0.000 0.799 353 E CB 0.046 29.987 29.700 0.402 0.000 0.748 353 E HN 0.347 nan 8.360 nan 0.000 0.449 354 R N -0.661 119.950 120.500 0.185 0.000 2.073 354 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 354 R C 2.439 178.898 176.300 0.266 0.000 1.134 354 R CA 1.634 57.881 56.100 0.245 0.000 0.952 354 R CB -0.664 29.845 30.300 0.349 0.000 0.850 354 R HN 0.326 nan 8.270 nan 0.000 0.433 355 Y N 0.909 121.295 120.300 0.145 0.000 2.128 355 Y HA -0.231 4.319 4.550 -0.000 0.000 0.284 355 Y C 1.837 177.763 175.900 0.043 0.000 1.154 355 Y CA 1.517 59.654 58.100 0.061 0.000 1.149 355 Y CB -0.489 37.949 38.460 -0.038 0.000 0.976 355 Y HN -0.032 nan 8.280 nan 0.000 0.505 356 F N 0.005 120.023 119.950 0.113 0.000 2.269 356 F HA -0.179 4.348 4.527 -0.000 0.000 0.301 356 F C 2.016 177.795 175.800 -0.034 0.000 1.082 356 F CA 1.132 59.124 58.000 -0.013 0.000 1.360 356 F CB -0.162 38.880 39.000 0.070 0.000 1.041 356 F HN -0.039 nan 8.300 nan 0.000 0.512 357 K N -0.033 120.473 120.400 0.178 0.000 2.404 357 K HA 0.184 4.504 4.320 -0.000 0.000 0.194 357 K C 1.240 177.864 176.600 0.040 0.000 1.023 357 K CA 0.520 56.871 56.287 0.106 0.000 1.094 357 K CB 0.354 32.929 32.500 0.124 0.000 0.841 357 K HN 0.267 nan 8.250 nan 0.000 0.523 358 G N 2.367 111.162 108.800 -0.008 0.000 2.179 358 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.257 358 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.257 358 G C -0.495 174.401 174.900 -0.006 0.000 1.010 358 G CA 0.203 45.277 45.100 -0.043 0.000 0.736 358 G HN 0.396 nan 8.290 nan 0.000 0.513 359 E N 0.540 120.765 120.200 0.041 0.000 2.277 359 E HA 0.397 4.747 4.350 -0.000 0.000 0.274 359 E C -0.385 176.243 176.600 0.047 0.000 1.022 359 E CA -0.967 55.468 56.400 0.059 0.000 0.853 359 E CB 0.876 30.636 29.700 0.099 0.000 1.086 359 E HN 0.205 nan 8.360 nan 0.000 0.397 360 D N 1.440 121.863 120.400 0.038 0.000 2.399 360 D HA 0.052 4.691 4.640 -0.000 0.000 0.241 360 D C -0.235 176.178 176.300 0.188 0.000 1.133 360 D CA 0.306 54.331 54.000 0.042 0.000 0.890 360 D CB 0.345 41.200 40.800 0.093 0.000 1.201 360 D HN 0.134 nan 8.370 nan 0.000 0.432 361 F N 0.856 120.902 119.950 0.161 0.000 2.403 361 F HA 0.278 4.805 4.527 -0.000 0.000 0.320 361 F C -1.394 174.414 175.800 0.013 0.000 1.176 361 F CA -2.656 55.310 58.000 -0.056 0.000 1.206 361 F CB -1.159 37.585 39.000 -0.425 0.000 1.235 361 F HN 0.056 nan 8.300 nan 0.000 0.565 362 P HA 0.013 nan 4.420 nan 0.000 0.264 362 P C 0.680 178.076 177.300 0.160 0.000 1.183 362 P CA 0.498 63.671 63.100 0.122 0.000 0.763 362 P CB 0.254 31.986 31.700 0.053 0.000 0.807 363 T N 1.297 115.969 114.554 0.196 0.000 2.759 363 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 363 T C 1.388 176.232 174.700 0.241 0.000 1.042 363 T CA 1.459 63.724 62.100 0.275 0.000 1.140 363 T CB -0.396 68.570 68.868 0.164 0.000 0.864 363 T HN 0.611 nan 8.240 nan 0.000 0.455 364 E N 1.593 121.875 120.200 0.136 0.000 2.472 364 E HA -0.098 4.252 4.350 -0.000 0.000 0.200 364 E C 1.170 177.819 176.600 0.081 0.000 1.046 364 E CA 0.711 57.174 56.400 0.105 0.000 0.871 364 E CB -0.424 29.319 29.700 0.070 0.000 0.806 364 E HN 0.371 nan 8.360 nan 0.000 0.533 365 N N 0.110 118.829 118.700 0.031 0.000 2.416 365 N HA -0.009 4.731 4.740 -0.000 0.000 0.177 365 N C -0.323 175.151 175.510 -0.060 0.000 1.036 365 N CA 0.324 53.335 53.050 -0.065 0.000 0.901 365 N CB -0.206 38.173 38.487 -0.180 0.000 0.976 365 N HN 0.224 nan 8.380 nan 0.000 0.444 366 Y N 0.419 120.786 120.300 0.112 0.000 2.377 366 Y HA 0.075 4.625 4.550 -0.000 0.000 0.330 366 Y C 1.511 177.430 175.900 0.032 0.000 1.108 366 Y CA -0.294 57.859 58.100 0.088 0.000 1.308 366 Y CB 0.847 39.348 38.460 0.068 0.000 1.216 366 Y HN -0.089 nan 8.280 nan 0.000 0.518 367 I N 2.084 122.733 120.570 0.133 0.000 3.039 367 I HA 0.071 4.241 4.170 -0.000 0.000 0.270 367 I C 0.051 176.151 176.117 -0.030 0.000 1.150 367 I CA 0.648 61.929 61.300 -0.032 0.000 1.448 367 I CB 0.032 37.896 38.000 -0.226 0.000 1.197 367 I HN 0.214 nan 8.210 nan 0.000 0.450 368 V N 2.192 122.123 119.914 0.029 0.000 2.525 368 V HA 0.450 4.569 4.120 -0.000 0.000 0.299 368 V C -0.335 175.795 176.094 0.060 0.000 1.034 368 V CA -0.813 61.496 62.300 0.016 0.000 0.863 368 V CB 2.675 34.486 31.823 -0.021 0.000 0.999 368 V HN 0.172 nan 8.190 nan 0.000 0.423 369 K N 2.914 123.302 120.400 -0.021 0.000 2.513 369 K HA 0.396 4.716 4.320 -0.000 0.000 0.251 369 K C -0.855 175.672 176.600 -0.123 0.000 0.939 369 K CA -0.526 55.684 56.287 -0.129 0.000 0.793 369 K CB 1.571 33.813 32.500 -0.431 0.000 1.241 369 K HN 0.705 nan 8.250 nan 0.000 0.431 370 D N 3.016 123.354 120.400 -0.104 0.000 2.708 370 D HA -0.196 4.444 4.640 -0.000 0.000 0.236 370 D C 0.619 176.890 176.300 -0.048 0.000 1.146 370 D CA 1.834 55.789 54.000 -0.076 0.000 0.662 370 D CB -1.191 39.551 40.800 -0.097 0.000 1.059 370 D HN 1.103 nan 8.370 nan 0.000 0.428 371 G N -0.310 108.470 108.800 -0.034 0.000 2.168 371 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.263 371 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.263 371 G C 0.025 174.914 174.900 -0.019 0.000 0.977 371 G CA 0.714 45.802 45.100 -0.021 0.000 0.659 371 G HN 0.519 nan 8.290 nan 0.000 0.533 372 E N -0.628 119.556 120.200 -0.026 0.000 2.183 372 E HA 0.604 4.954 4.350 -0.000 0.000 0.271 372 E C -0.346 176.250 176.600 -0.007 0.000 0.919 372 E CA -1.030 55.361 56.400 -0.015 0.000 0.781 372 E CB 2.126 31.814 29.700 -0.020 0.000 1.140 372 E HN 0.152 nan 8.360 nan 0.000 0.402 373 L N 2.466 123.693 121.223 0.008 0.000 2.349 373 L HA 0.369 4.709 4.340 -0.000 0.000 0.275 373 L C -0.209 176.694 176.870 0.054 0.000 1.115 373 L CA 0.078 54.929 54.840 0.018 0.000 0.820 373 L CB 0.851 42.931 42.059 0.035 0.000 1.135 373 L HN 0.666 nan 8.230 nan 0.000 0.445 374 A N 6.940 129.805 122.820 0.075 0.000 2.483 374 A HA 0.323 4.643 4.320 -0.000 0.000 0.238 374 A C -1.568 176.113 177.584 0.162 0.000 1.070 374 A CA -0.618 51.494 52.037 0.125 0.000 0.770 374 A CB -0.519 18.579 19.000 0.163 0.000 1.008 374 A HN 0.781 nan 8.150 nan 0.000 0.497 375 P HA -0.239 nan 4.420 nan 0.000 0.216 375 P C 1.189 178.549 177.300 0.101 0.000 1.150 375 P CA 1.612 64.769 63.100 0.096 0.000 0.837 375 P CB -0.013 31.727 31.700 0.066 0.000 0.786 376 Q N -1.058 118.811 119.800 0.116 0.000 2.369 376 Q HA -0.149 4.190 4.340 -0.000 0.000 0.206 376 Q C 1.279 177.257 176.000 -0.037 0.000 0.963 376 Q CA 1.359 57.183 55.803 0.035 0.000 0.894 376 Q CB -1.027 27.714 28.738 0.006 0.000 0.965 376 Q HN 0.305 nan 8.270 nan 0.000 0.475 377 Y N 0.978 121.302 120.300 0.040 0.000 2.500 377 Y HA 0.243 4.793 4.550 -0.000 0.000 0.270 377 Y C 1.195 177.117 175.900 0.036 0.000 1.134 377 Y CA -0.263 57.860 58.100 0.039 0.000 1.293 377 Y CB 0.468 38.949 38.460 0.035 0.000 1.063 377 Y HN 0.014 nan 8.280 nan 0.000 0.534 378 R N 0.000 120.589 120.500 0.148 0.000 2.786 378 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 378 R CA 0.000 56.157 56.100 0.096 0.000 0.921 378 R CB 0.000 30.345 30.300 0.075 0.000 0.687 378 R HN 0.000 nan 8.270 nan 0.000 0.535