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 1szr_1_B DATA FIRST_RESID 37 DATA SEQUENCE GDPFFVADLG DIVRKHETWK KCLPRVTPFY AVKCNDDWRV LGTLAALGTG DATA SEQUENCE FDCASNTEIQ RVRGIGVPPE KIIYANPCKQ ISHIRYARDS GVDVMTFDCV DATA SEQUENCE DELEKVAKTH PKAKMVLRIS TXXXXXXXXX XXKFGAKVED CRFILEQAKK DATA SEQUENCE LNIDVTGVSF HVGSGSTDAS TFAQAISDSR FVFDMGTELG FNMHILDIGG DATA SEQUENCE GFPGTRDAPL KFEEIAGVIN NALEKHFPPD LKLTIVAEPG RYYVASAFTL DATA SEQUENCE AVNVIAKAVT XXXXXXXXXX XXXXXQSFMY YVNDGVYGSF NCILYDHAVV DATA SEQUENCE RPLPQREPXX XXKLYPSSVW GPTCDGLDQI VERYYLPEMQ VGEWLLFEDM DATA SEQUENCE GAYTVVGTSS FNGFQSPTIY YVVSGLPDHV VREL 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 37 G HA2 0.000 nan 3.960 nan 0.000 0.244 37 G HA3 0.000 3.937 3.960 -0.038 0.000 0.244 37 G C 0.000 175.005 174.900 0.174 0.000 0.946 37 G CA 0.000 45.192 45.100 0.154 0.000 0.502 38 D N 1.907 122.502 120.400 0.324 0.000 2.362 38 D HA 0.378 4.995 4.640 -0.038 0.000 0.242 38 D C -1.769 174.830 176.300 0.498 0.000 1.132 38 D CA -0.799 53.388 54.000 0.312 0.000 0.907 38 D CB 1.655 42.617 40.800 0.270 0.000 1.195 38 D HN 0.168 nan 8.370 nan 0.000 0.429 39 P HA 0.291 nan 4.420 nan 0.000 0.278 39 P C -0.884 176.608 177.300 0.321 0.000 1.238 39 P CA -0.421 62.856 63.100 0.295 0.000 0.794 39 P CB 0.441 32.200 31.700 0.098 0.000 0.955 40 F N -0.868 119.143 119.950 0.102 0.000 2.631 40 F HA 0.647 5.157 4.527 -0.029 0.000 0.308 40 F C -1.588 174.199 175.800 -0.020 0.000 1.097 40 F CA -1.521 56.538 58.000 0.100 0.000 0.952 40 F CB 0.842 40.016 39.000 0.291 0.000 1.307 40 F HN 0.039 nan 8.300 nan 0.000 0.450 41 F N 1.484 121.617 119.950 0.305 0.000 2.397 41 F HA 0.686 5.093 4.527 -0.199 0.000 0.331 41 F C -0.259 175.683 175.800 0.236 0.000 1.090 41 F CA -1.092 57.024 58.000 0.193 0.000 1.065 41 F CB 2.074 41.209 39.000 0.226 0.000 1.184 41 F HN 0.331 nan 8.300 nan 0.000 0.499 42 V N 3.113 123.220 119.914 0.322 0.000 2.350 42 V HA 0.576 4.673 4.120 -0.038 0.000 0.285 42 V C -0.349 175.679 176.094 -0.110 0.000 1.014 42 V CA -0.831 61.549 62.300 0.133 0.000 0.831 42 V CB 1.245 33.153 31.823 0.140 0.000 1.000 42 V HN 0.822 nan 8.190 nan 0.000 0.433 43 A N 3.205 125.805 122.820 -0.367 0.000 2.280 43 A HA 0.537 4.834 4.320 -0.038 0.000 0.320 43 A C -0.197 177.215 177.584 -0.287 0.000 1.366 43 A CA -0.420 51.180 52.037 -0.728 0.000 0.938 43 A CB 0.335 18.593 19.000 -1.237 0.000 1.157 43 A HN 0.780 nan 8.150 nan 0.000 0.536 44 D N 3.274 123.558 120.400 -0.194 0.000 2.402 44 D HA 0.233 4.850 4.640 -0.038 0.000 0.235 44 D C 0.933 177.207 176.300 -0.043 0.000 1.226 44 D CA -0.093 53.869 54.000 -0.064 0.000 0.918 44 D CB 0.173 40.956 40.800 -0.029 0.000 1.043 44 D HN 0.476 nan 8.370 nan 0.000 0.506 45 L N 2.698 123.924 121.223 0.004 0.000 2.201 45 L HA 0.034 4.351 4.340 -0.038 0.000 0.212 45 L C 2.434 179.300 176.870 -0.007 0.000 1.105 45 L CA 0.863 55.708 54.840 0.008 0.000 0.775 45 L CB -0.214 41.891 42.059 0.077 0.000 0.913 45 L HN 0.483 nan 8.230 nan 0.000 0.440 46 G N -0.028 108.793 108.800 0.035 0.000 2.450 46 G HA2 -0.339 3.598 3.960 -0.038 0.000 0.220 46 G HA3 -0.339 3.598 3.960 -0.038 0.000 0.220 46 G C 1.190 176.095 174.900 0.008 0.000 1.130 46 G CA 1.069 46.189 45.100 0.033 0.000 0.760 46 G HN 0.365 nan 8.290 nan 0.000 0.557 47 D N 0.341 120.741 120.400 -0.001 0.000 2.178 47 D HA -0.069 4.548 4.640 -0.038 0.000 0.201 47 D C 2.461 178.752 176.300 -0.014 0.000 0.980 47 D CA 0.582 54.577 54.000 -0.008 0.000 0.842 47 D CB -0.169 40.627 40.800 -0.006 0.000 0.948 47 D HN 0.401 nan 8.370 nan 0.000 0.472 48 I N -0.478 120.086 120.570 -0.011 0.000 2.252 48 I HA -0.219 3.928 4.170 -0.038 0.000 0.245 48 I C 2.300 178.445 176.117 0.047 0.000 1.102 48 I CA 0.440 61.749 61.300 0.016 0.000 1.385 48 I CB -0.179 37.788 38.000 -0.056 0.000 1.064 48 I HN -0.018 nan 8.210 nan 0.000 0.414 49 V N 0.946 120.849 119.914 -0.019 0.000 2.287 49 V HA -0.285 3.812 4.120 -0.038 0.000 0.248 49 V C 2.566 178.718 176.094 0.096 0.000 1.053 49 V CA 1.884 64.194 62.300 0.017 0.000 1.027 49 V CB -0.803 31.015 31.823 -0.008 0.000 0.646 49 V HN 0.379 nan 8.190 nan 0.000 0.447 50 R N -0.165 120.368 120.500 0.055 0.000 2.096 50 R HA -0.118 4.199 4.340 -0.038 0.000 0.235 50 R C 2.438 178.770 176.300 0.053 0.000 1.127 50 R CA 0.987 57.118 56.100 0.052 0.000 0.968 50 R CB -0.281 30.031 30.300 0.020 0.000 0.861 50 R HN 0.405 nan 8.270 nan 0.000 0.440 51 K N -0.140 120.264 120.400 0.006 0.000 2.057 51 K HA -0.178 4.119 4.320 -0.038 0.000 0.207 51 K C 1.923 178.615 176.600 0.153 0.000 1.049 51 K CA 1.471 57.691 56.287 -0.111 0.000 0.931 51 K CB -0.445 31.806 32.500 -0.415 0.000 0.714 51 K HN 0.304 nan 8.250 nan 0.000 0.440 52 H N 1.445 120.639 119.070 0.207 0.000 2.357 52 H HA -0.045 4.487 4.556 -0.040 0.000 0.301 52 H C 1.756 177.229 175.328 0.242 0.000 1.082 52 H CA 1.598 57.840 56.048 0.324 0.000 1.342 52 H CB 0.333 30.246 29.762 0.251 0.000 1.389 52 H HN 0.108 nan 8.280 nan 0.000 0.511 53 E N -0.513 119.805 120.200 0.196 0.000 2.106 53 E HA -0.106 4.221 4.350 -0.038 0.000 0.192 53 E C 2.221 178.881 176.600 0.101 0.000 0.984 53 E CA 1.444 57.912 56.400 0.114 0.000 0.806 53 E CB -0.462 29.303 29.700 0.109 0.000 0.750 53 E HN 0.510 nan 8.360 nan 0.000 0.458 54 T N 1.029 115.666 114.554 0.138 0.000 2.867 54 T HA -0.127 4.200 4.350 -0.038 0.000 0.268 54 T C 1.314 176.151 174.700 0.228 0.000 1.057 54 T CA 0.791 62.993 62.100 0.171 0.000 1.136 54 T CB -0.145 68.832 68.868 0.181 0.000 0.874 54 T HN 0.365 nan 8.240 nan 0.000 0.466 55 W N 2.462 123.766 121.300 0.006 0.000 2.380 55 W HA -0.047 4.590 4.660 -0.039 0.000 0.317 55 W C 1.860 178.318 176.519 -0.102 0.000 1.196 55 W CA 1.002 58.294 57.345 -0.087 0.000 1.307 55 W CB -0.391 28.902 29.460 -0.277 0.000 1.157 55 W HN 0.188 nan 8.180 nan 0.000 0.483 56 K N 0.391 120.864 120.400 0.122 0.000 2.127 56 K HA -0.280 4.017 4.320 -0.038 0.000 0.208 56 K C 2.151 178.734 176.600 -0.028 0.000 1.047 56 K CA 2.209 58.512 56.287 0.027 0.000 0.927 56 K CB -0.422 32.063 32.500 -0.024 0.000 0.716 56 K HN 0.120 nan 8.250 nan 0.000 0.450 57 K N 0.676 121.066 120.400 -0.016 0.000 2.001 57 K HA -0.128 4.169 4.320 -0.038 0.000 0.208 57 K C 2.031 178.575 176.600 -0.093 0.000 1.048 57 K CA 1.717 57.985 56.287 -0.031 0.000 0.932 57 K CB -0.064 32.438 32.500 0.005 0.000 0.715 57 K HN 0.156 nan 8.250 nan 0.000 0.437 58 C N 0.446 119.664 119.300 -0.137 0.000 2.485 58 C HA 0.200 4.637 4.460 -0.038 0.000 0.277 58 C C 1.118 175.864 174.990 -0.406 0.000 1.376 58 C CA -0.080 58.779 59.018 -0.266 0.000 1.759 58 C CB -0.371 27.175 27.740 -0.324 0.000 1.970 58 C HN 0.408 nan 8.230 nan 0.000 0.509 59 L N 1.029 121.962 121.223 -0.483 0.000 2.625 59 L HA 0.215 4.532 4.340 -0.038 0.000 0.255 59 L C -1.610 175.081 176.870 -0.298 0.000 1.493 59 L CA -0.823 53.699 54.840 -0.530 0.000 0.796 59 L CB 0.852 42.312 42.059 -0.997 0.000 1.064 59 L HN 0.029 nan 8.230 nan 0.000 0.516 60 P HA -0.121 nan 4.420 nan 0.000 0.220 60 P C 1.131 178.424 177.300 -0.012 0.000 1.148 60 P CA 1.089 64.155 63.100 -0.057 0.000 0.803 60 P CB 0.204 31.876 31.700 -0.047 0.000 0.782 61 R N -0.421 120.061 120.500 -0.031 0.000 2.299 61 R HA 0.132 4.449 4.340 -0.038 0.000 0.197 61 R C 0.215 176.544 176.300 0.049 0.000 0.971 61 R CA 0.247 56.353 56.100 0.009 0.000 1.030 61 R CB 0.029 30.326 30.300 -0.005 0.000 0.932 61 R HN 0.102 nan 8.270 nan 0.000 0.477 62 V N 1.570 121.526 119.914 0.070 0.000 2.357 62 V HA 0.151 4.248 4.120 -0.038 0.000 0.284 62 V C 0.088 176.387 176.094 0.341 0.000 1.018 62 V CA -0.611 61.794 62.300 0.175 0.000 0.841 62 V CB 1.667 33.570 31.823 0.133 0.000 0.991 62 V HN 0.006 nan 8.190 nan 0.000 0.437 63 T N 8.583 123.307 114.554 0.283 0.000 2.737 63 T HA 0.269 4.596 4.350 -0.038 0.000 0.296 63 T C -2.332 172.533 174.700 0.275 0.000 0.922 63 T CA -0.751 61.505 62.100 0.260 0.000 1.079 63 T CB 0.948 69.973 68.868 0.261 0.000 0.892 63 T HN 0.491 nan 8.240 nan 0.000 0.514 64 P HA 0.301 nan 4.420 nan 0.000 0.281 64 P C -1.010 176.210 177.300 -0.133 0.000 1.252 64 P CA -0.482 62.523 63.100 -0.159 0.000 0.778 64 P CB 0.387 31.673 31.700 -0.689 0.000 0.895 65 F N 3.023 122.893 119.950 -0.132 0.000 2.366 65 F HA 0.232 4.735 4.527 -0.040 0.000 0.366 65 F C 0.576 176.305 175.800 -0.120 0.000 1.096 65 F CA -0.916 57.001 58.000 -0.139 0.000 1.060 65 F CB 0.454 39.431 39.000 -0.039 0.000 1.282 65 F HN 0.271 nan 8.300 nan 0.000 0.450 66 Y N 3.368 123.483 120.300 -0.309 0.000 2.632 66 Y HA 0.350 4.869 4.550 -0.050 0.000 0.329 66 Y C 0.282 176.191 175.900 0.015 0.000 1.174 66 Y CA -0.958 57.015 58.100 -0.212 0.000 1.469 66 Y CB 0.448 38.630 38.460 -0.464 0.000 1.242 66 Y HN 0.640 nan 8.280 nan 0.000 0.540 67 A N 7.268 129.738 122.820 -0.584 0.000 2.457 67 A HA 0.309 4.606 4.320 -0.038 0.000 0.298 67 A C 1.156 178.245 177.584 -0.826 0.000 1.288 67 A CA 0.155 51.910 52.037 -0.469 0.000 0.956 67 A CB -0.567 18.296 19.000 -0.228 0.000 1.135 67 A HN 1.310 nan 8.150 nan 0.000 0.535 68 V N 3.095 122.759 119.914 -0.417 0.000 2.759 68 V HA -0.255 3.842 4.120 -0.038 0.000 0.256 68 V C 2.117 178.094 176.094 -0.195 0.000 1.080 68 V CA 2.383 64.551 62.300 -0.220 0.000 1.101 68 V CB -0.783 31.072 31.823 0.054 0.000 0.698 68 V HN 0.965 nan 8.190 nan 0.000 0.477 69 K N -0.044 120.253 120.400 -0.171 0.000 2.218 69 K HA -0.221 4.076 4.320 -0.038 0.000 0.205 69 K C 2.205 178.700 176.600 -0.176 0.000 1.046 69 K CA 1.936 58.160 56.287 -0.104 0.000 0.933 69 K CB -1.446 31.051 32.500 -0.005 0.000 0.728 69 K HN 0.546 nan 8.250 nan 0.000 0.454 70 C N 0.859 119.941 119.300 -0.362 0.000 2.446 70 C HA 0.016 4.453 4.460 -0.038 0.000 0.277 70 C C 0.453 175.132 174.990 -0.518 0.000 1.275 70 C CA 1.010 59.554 59.018 -0.789 0.000 1.727 70 C CB -1.254 26.079 27.740 -0.678 0.000 2.010 70 C HN 0.760 nan 8.230 nan 0.000 0.486 71 N N -0.710 117.852 118.700 -0.229 0.000 2.905 71 N HA 0.115 4.832 4.740 -0.038 0.000 0.255 71 N C -1.061 174.441 175.510 -0.013 0.000 1.199 71 N CA 0.151 53.095 53.050 -0.176 0.000 0.911 71 N CB 0.656 39.008 38.487 -0.224 0.000 1.550 71 N HN 0.392 nan 8.380 nan 0.000 0.599 72 D N 1.762 122.102 120.400 -0.100 0.000 2.424 72 D HA -0.011 4.606 4.640 -0.038 0.000 0.220 72 D C -0.091 176.107 176.300 -0.170 0.000 1.150 72 D CA -0.168 53.775 54.000 -0.095 0.000 0.831 72 D CB 0.056 40.758 40.800 -0.163 0.000 0.981 72 D HN 0.484 nan 8.370 nan 0.000 0.500 73 D N 0.336 120.672 120.400 -0.106 0.000 2.571 73 D HA -0.191 4.426 4.640 -0.038 0.000 0.231 73 D C 0.542 176.860 176.300 0.029 0.000 1.133 73 D CA -0.087 53.895 54.000 -0.030 0.000 0.862 73 D CB 0.538 41.429 40.800 0.152 0.000 1.179 73 D HN 0.125 nan 8.370 nan 0.000 0.474 74 W N 3.870 125.176 121.300 0.010 0.000 2.338 74 W HA -0.142 4.501 4.660 -0.028 0.000 0.304 74 W C 2.295 178.760 176.519 -0.089 0.000 1.212 74 W CA 0.504 57.818 57.345 -0.051 0.000 1.264 74 W CB -0.401 29.022 29.460 -0.062 0.000 1.142 74 W HN 0.578 nan 8.180 nan 0.000 0.512 75 R N -0.582 119.981 120.500 0.105 0.000 2.115 75 R HA -0.100 4.217 4.340 -0.038 0.000 0.230 75 R C 2.127 178.423 176.300 -0.007 0.000 1.111 75 R CA 1.149 57.200 56.100 -0.081 0.000 0.976 75 R CB -0.851 29.152 30.300 -0.495 0.000 0.870 75 R HN -0.056 nan 8.270 nan 0.000 0.445 76 V N 0.807 120.759 119.914 0.063 0.000 2.307 76 V HA -0.215 3.882 4.120 -0.038 0.000 0.245 76 V C 2.105 178.154 176.094 -0.076 0.000 1.045 76 V CA 1.657 63.959 62.300 0.004 0.000 1.024 76 V CB -0.365 31.492 31.823 0.057 0.000 0.651 76 V HN 0.274 nan 8.190 nan 0.000 0.449 77 L N 0.269 121.496 121.223 0.006 0.000 2.056 77 L HA -0.041 4.276 4.340 -0.038 0.000 0.207 77 L C 2.660 179.550 176.870 0.032 0.000 1.078 77 L CA 1.695 56.560 54.840 0.041 0.000 0.749 77 L CB -1.184 40.880 42.059 0.009 0.000 0.901 77 L HN 0.465 nan 8.230 nan 0.000 0.433 78 G N -0.749 108.062 108.800 0.019 0.000 2.422 78 G HA2 -0.217 3.720 3.960 -0.038 0.000 0.218 78 G HA3 -0.217 3.720 3.960 -0.038 0.000 0.218 78 G C 1.589 176.483 174.900 -0.010 0.000 1.146 78 G CA 1.231 46.333 45.100 0.003 0.000 0.769 78 G HN 0.260 nan 8.290 nan 0.000 0.547 79 T N 1.314 115.830 114.554 -0.063 0.000 2.674 79 T HA -0.039 4.288 4.350 -0.038 0.000 0.265 79 T C 2.442 176.973 174.700 -0.282 0.000 1.039 79 T CA 0.980 62.947 62.100 -0.221 0.000 1.150 79 T CB -0.232 68.427 68.868 -0.348 0.000 0.864 79 T HN 0.144 nan 8.240 nan 0.000 0.427 80 L N 0.734 121.790 121.223 -0.279 0.000 2.083 80 L HA -0.065 4.252 4.340 -0.038 0.000 0.209 80 L C 2.992 179.709 176.870 -0.255 0.000 1.083 80 L CA 1.170 55.761 54.840 -0.415 0.000 0.752 80 L CB -0.618 41.097 42.059 -0.572 0.000 0.899 80 L HN 0.234 nan 8.230 nan 0.000 0.433 81 A N -0.038 122.818 122.820 0.060 0.000 1.902 81 A HA -0.168 4.129 4.320 -0.038 0.000 0.217 81 A C 2.503 180.068 177.584 -0.032 0.000 1.181 81 A CA 1.721 53.837 52.037 0.131 0.000 0.623 81 A CB -0.730 18.361 19.000 0.153 0.000 0.818 81 A HN 0.394 nan 8.150 nan 0.000 0.443 82 A N -0.544 122.241 122.820 -0.059 0.000 2.015 82 A HA 0.064 4.361 4.320 -0.038 0.000 0.219 82 A C 2.011 179.529 177.584 -0.109 0.000 1.163 82 A CA 1.266 53.271 52.037 -0.052 0.000 0.646 82 A CB -0.499 18.507 19.000 0.010 0.000 0.806 82 A HN 0.466 nan 8.150 nan 0.000 0.448 83 L N -1.440 119.642 121.223 -0.236 0.000 2.478 83 L HA 0.123 4.440 4.340 -0.038 0.000 0.223 83 L C 1.614 178.293 176.870 -0.319 0.000 1.140 83 L CA 0.690 55.309 54.840 -0.368 0.000 0.842 83 L CB -0.146 41.468 42.059 -0.741 0.000 0.953 83 L HN 0.591 nan 8.230 nan 0.000 0.452 84 G N -0.389 108.269 108.800 -0.236 0.000 2.131 84 G HA2 -0.210 3.727 3.960 -0.038 0.000 0.201 84 G HA3 -0.210 3.727 3.960 -0.038 0.000 0.201 84 G C 0.236 175.010 174.900 -0.210 0.000 1.000 84 G CA -0.007 45.006 45.100 -0.145 0.000 0.680 84 G HN 0.175 nan 8.290 nan 0.000 0.514 85 T N 0.470 114.802 114.554 -0.370 0.000 2.909 85 T HA 0.602 4.929 4.350 -0.038 0.000 0.289 85 T C 1.297 175.550 174.700 -0.744 0.000 1.005 85 T CA 0.684 62.454 62.100 -0.550 0.000 1.084 85 T CB 1.142 69.559 68.868 -0.751 0.000 0.975 85 T HN 0.960 nan 8.240 nan 0.000 0.509 86 G N 1.078 109.285 108.800 -0.989 0.000 2.588 86 G HA2 0.548 4.485 3.960 -0.038 0.000 0.278 86 G HA3 0.548 4.485 3.960 -0.038 0.000 0.278 86 G C -1.201 173.059 174.900 -1.068 0.000 1.307 86 G CA -0.343 43.976 45.100 -1.302 0.000 1.016 86 G HN 0.582 nan 8.290 nan 0.000 0.503 87 F N -0.912 118.977 119.950 -0.103 0.000 2.585 87 F HA 0.267 4.768 4.527 -0.044 0.000 0.319 87 F C -0.735 175.231 175.800 0.277 0.000 1.165 87 F CA -0.941 57.131 58.000 0.121 0.000 0.949 87 F CB 2.452 41.488 39.000 0.059 0.000 1.218 87 F HN 0.380 nan 8.300 nan 0.000 0.453 88 D N 3.264 123.855 120.400 0.317 0.000 2.380 88 D HA 0.358 4.975 4.640 -0.038 0.000 0.230 88 D C -0.917 175.455 176.300 0.121 0.000 1.154 88 D CA 0.080 54.196 54.000 0.193 0.000 0.859 88 D CB 0.539 41.398 40.800 0.098 0.000 1.045 88 D HN 0.416 nan 8.370 nan 0.000 0.495 89 C N 3.156 122.529 119.300 0.122 0.000 2.366 89 C HA 0.805 5.242 4.460 -0.038 0.000 0.345 89 C C 1.313 176.355 174.990 0.088 0.000 1.209 89 C CA -0.517 58.527 59.018 0.044 0.000 2.050 89 C CB 0.858 28.579 27.740 -0.032 0.000 2.359 89 C HN 0.798 nan 8.230 nan 0.000 0.527 90 A N 1.476 124.330 122.820 0.056 0.000 2.469 90 A HA 0.536 4.833 4.320 -0.038 0.000 0.245 90 A C 0.571 178.270 177.584 0.191 0.000 1.221 90 A CA 0.394 52.530 52.037 0.165 0.000 0.946 90 A CB -0.031 19.013 19.000 0.073 0.000 1.049 90 A HN 1.077 nan 8.150 nan 0.000 0.529 91 S N -1.076 114.599 115.700 -0.041 0.000 2.625 91 S HA 0.308 4.755 4.470 -0.038 0.000 0.271 91 S C 0.532 174.892 174.600 -0.399 0.000 1.161 91 S CA -0.031 58.068 58.200 -0.169 0.000 0.820 91 S CB 0.525 63.626 63.200 -0.165 0.000 1.137 91 S HN 0.230 nan 8.310 nan 0.000 0.470 92 N N 1.299 119.637 118.700 -0.604 0.000 2.166 92 N HA -0.160 4.557 4.740 -0.038 0.000 0.186 92 N C 1.540 176.740 175.510 -0.516 0.000 1.019 92 N CA 2.556 55.237 53.050 -0.616 0.000 0.856 92 N CB -1.814 36.143 38.487 -0.884 0.000 0.993 92 N HN 0.870 nan 8.380 nan 0.000 0.426 93 T N -1.838 112.464 114.554 -0.421 0.000 2.904 93 T HA 0.017 4.344 4.350 -0.038 0.000 0.267 93 T C 1.644 176.227 174.700 -0.195 0.000 1.059 93 T CA 0.947 62.876 62.100 -0.284 0.000 1.137 93 T CB -0.307 68.427 68.868 -0.222 0.000 0.879 93 T HN 0.284 nan 8.240 nan 0.000 0.467 94 E N 0.831 120.919 120.200 -0.187 0.000 2.107 94 E HA 0.049 4.376 4.350 -0.038 0.000 0.191 94 E C 2.138 178.669 176.600 -0.115 0.000 0.982 94 E CA 0.794 57.111 56.400 -0.139 0.000 0.809 94 E CB -0.265 29.366 29.700 -0.116 0.000 0.756 94 E HN 0.530 nan 8.360 nan 0.000 0.459 95 I N 1.157 121.653 120.570 -0.123 0.000 2.252 95 I HA -0.293 3.854 4.170 -0.038 0.000 0.245 95 I C 2.797 178.926 176.117 0.020 0.000 1.102 95 I CA 1.115 62.384 61.300 -0.052 0.000 1.385 95 I CB -0.200 37.777 38.000 -0.039 0.000 1.064 95 I HN 0.139 nan 8.210 nan 0.000 0.414 96 Q N 1.051 120.882 119.800 0.053 0.000 2.124 96 Q HA -0.270 4.047 4.340 -0.038 0.000 0.202 96 Q C 2.364 178.379 176.000 0.026 0.000 0.977 96 Q CA 1.627 57.482 55.803 0.086 0.000 0.850 96 Q CB -0.013 28.732 28.738 0.011 0.000 0.901 96 Q HN 0.349 nan 8.270 nan 0.000 0.429 97 R N -0.215 120.272 120.500 -0.022 0.000 2.073 97 R HA -0.143 4.174 4.340 -0.038 0.000 0.234 97 R C 2.363 178.647 176.300 -0.027 0.000 1.134 97 R CA 1.736 57.834 56.100 -0.004 0.000 0.952 97 R CB -0.182 30.065 30.300 -0.087 0.000 0.850 97 R HN 0.363 nan 8.270 nan 0.000 0.433 98 V N -1.460 118.379 119.914 -0.126 0.000 2.488 98 V HA -0.020 4.077 4.120 -0.038 0.000 0.246 98 V C 2.073 178.065 176.094 -0.169 0.000 1.046 98 V CA 1.046 63.188 62.300 -0.263 0.000 1.053 98 V CB -0.517 31.024 31.823 -0.470 0.000 0.679 98 V HN 0.211 nan 8.190 nan 0.000 0.458 99 R N 1.382 121.832 120.500 -0.083 0.000 2.120 99 R HA -0.028 4.289 4.340 -0.038 0.000 0.234 99 R C 2.385 178.663 176.300 -0.037 0.000 1.123 99 R CA 1.521 57.592 56.100 -0.048 0.000 0.975 99 R CB -1.033 29.254 30.300 -0.022 0.000 0.866 99 R HN 0.652 nan 8.270 nan 0.000 0.446 100 G N 1.398 110.188 108.800 -0.017 0.000 2.572 100 G HA2 -0.104 3.833 3.960 -0.038 0.000 0.216 100 G HA3 -0.104 3.833 3.960 -0.038 0.000 0.216 100 G C 1.368 176.246 174.900 -0.036 0.000 1.133 100 G CA 0.157 45.253 45.100 -0.006 0.000 0.791 100 G HN 0.447 nan 8.290 nan 0.000 0.538 101 I N -3.389 117.151 120.570 -0.051 0.000 3.904 101 I HA 0.545 4.692 4.170 -0.038 0.000 0.333 101 I C 1.327 177.397 176.117 -0.078 0.000 1.361 101 I CA 0.254 61.507 61.300 -0.078 0.000 1.116 101 I CB 0.266 38.223 38.000 -0.071 0.000 1.028 101 I HN 0.086 nan 8.210 nan 0.000 0.398 102 G N 1.116 109.877 108.800 -0.065 0.000 2.176 102 G HA2 -0.217 3.720 3.960 -0.038 0.000 0.232 102 G HA3 -0.217 3.720 3.960 -0.038 0.000 0.232 102 G C 0.169 175.046 174.900 -0.039 0.000 0.986 102 G CA -0.002 45.068 45.100 -0.049 0.000 0.643 102 G HN 0.275 nan 8.290 nan 0.000 0.522 103 V N 3.659 123.539 119.914 -0.058 0.000 2.529 103 V HA 0.349 4.446 4.120 -0.038 0.000 0.292 103 V C -0.876 175.218 176.094 -0.001 0.000 1.028 103 V CA -0.569 61.716 62.300 -0.025 0.000 1.074 103 V CB 0.930 32.708 31.823 -0.075 0.000 0.958 103 V HN 0.312 nan 8.190 nan 0.000 0.481 104 P HA 0.245 nan 4.420 nan 0.000 0.277 104 P C -2.229 175.107 177.300 0.059 0.000 1.240 104 P CA -1.936 61.182 63.100 0.031 0.000 0.798 104 P CB 0.617 32.337 31.700 0.033 0.000 0.979 105 P HA -0.176 nan 4.420 nan 0.000 0.219 105 P C 1.155 178.531 177.300 0.127 0.000 1.146 105 P CA 1.623 64.767 63.100 0.074 0.000 0.808 105 P CB -0.144 31.585 31.700 0.048 0.000 0.779 106 E N 0.475 120.751 120.200 0.127 0.000 2.418 106 E HA -0.107 4.220 4.350 -0.038 0.000 0.197 106 E C 1.140 177.893 176.600 0.256 0.000 1.026 106 E CA 0.713 57.214 56.400 0.168 0.000 0.862 106 E CB -0.584 29.194 29.700 0.130 0.000 0.799 106 E HN 0.345 nan 8.360 nan 0.000 0.518 107 K N 0.735 121.267 120.400 0.220 0.000 2.469 107 K HA 0.300 4.597 4.320 -0.038 0.000 0.201 107 K C 0.097 176.927 176.600 0.382 0.000 1.028 107 K CA 0.007 56.419 56.287 0.207 0.000 1.170 107 K CB 0.345 32.885 32.500 0.067 0.000 0.874 107 K HN 0.105 nan 8.250 nan 0.000 0.507 108 I N 1.109 121.940 120.570 0.435 0.000 2.466 108 I HA 0.346 4.493 4.170 -0.038 0.000 0.289 108 I C -0.785 175.527 176.117 0.326 0.000 1.026 108 I CA -0.903 60.637 61.300 0.400 0.000 1.078 108 I CB 2.076 40.207 38.000 0.217 0.000 1.249 108 I HN -0.067 nan 8.210 nan 0.000 0.429 109 I N 5.964 126.700 120.570 0.275 0.000 2.406 109 I HA 0.309 4.456 4.170 -0.038 0.000 0.290 109 I C -1.192 175.033 176.117 0.179 0.000 0.999 109 I CA -0.677 60.678 61.300 0.092 0.000 1.124 109 I CB 1.542 39.425 38.000 -0.196 0.000 1.289 109 I HN 0.514 nan 8.210 nan 0.000 0.441 110 Y N 7.996 128.314 120.300 0.030 0.000 2.714 110 Y HA 0.486 5.012 4.550 -0.040 0.000 0.333 110 Y C 0.273 176.165 175.900 -0.013 0.000 1.220 110 Y CA -1.552 56.566 58.100 0.031 0.000 1.513 110 Y CB 0.469 38.967 38.460 0.063 0.000 1.435 110 Y HN 0.597 nan 8.280 nan 0.000 0.489 111 A N 4.860 127.769 122.820 0.148 0.000 3.163 111 A HA 0.159 4.456 4.320 -0.038 0.000 0.283 111 A C 0.281 177.795 177.584 -0.117 0.000 1.412 111 A CA -0.506 51.509 52.037 -0.037 0.000 1.053 111 A CB -0.943 18.015 19.000 -0.069 0.000 1.082 111 A HN 0.782 nan 8.150 nan 0.000 0.639 112 N N 0.792 119.416 118.700 -0.128 0.000 2.444 112 N HA 0.349 5.066 4.740 -0.038 0.000 0.262 112 N C -2.132 173.204 175.510 -0.289 0.000 0.974 112 N CA -1.988 50.939 53.050 -0.206 0.000 0.933 112 N CB 1.775 40.247 38.487 -0.025 0.000 1.137 112 N HN -0.041 nan 8.380 nan 0.000 0.498 113 P HA 0.041 nan 4.420 nan 0.000 0.221 113 P C -0.478 176.795 177.300 -0.046 0.000 1.150 113 P CA 0.532 63.503 63.100 -0.215 0.000 0.800 113 P CB 0.251 31.769 31.700 -0.303 0.000 0.787 114 C N 0.977 120.283 119.300 0.009 0.000 2.437 114 C HA 0.410 4.847 4.460 -0.038 0.000 0.307 114 C C 0.084 175.105 174.990 0.052 0.000 1.093 114 C CA -0.863 58.205 59.018 0.084 0.000 1.463 114 C CB -0.199 27.661 27.740 0.200 0.000 1.926 114 C HN 0.081 nan 8.230 nan 0.000 0.420 115 K N 1.780 122.182 120.400 0.003 0.000 2.244 115 K HA 0.399 4.696 4.320 -0.038 0.000 0.260 115 K C -0.202 176.421 176.600 0.037 0.000 0.951 115 K CA -0.346 55.954 56.287 0.021 0.000 0.826 115 K CB 1.630 34.063 32.500 -0.113 0.000 1.108 115 K HN 0.675 nan 8.250 nan 0.000 0.433 116 Q N 2.716 122.533 119.800 0.027 0.000 2.304 116 Q HA -0.047 4.270 4.340 -0.038 0.000 0.301 116 Q C 0.700 176.670 176.000 -0.050 0.000 1.063 116 Q CA 0.268 56.008 55.803 -0.106 0.000 0.947 116 Q CB 0.536 29.020 28.738 -0.424 0.000 1.201 116 Q HN 0.669 nan 8.270 nan 0.000 0.389 117 I N 2.259 122.805 120.570 -0.039 0.000 2.264 117 I HA -0.340 3.807 4.170 -0.038 0.000 0.248 117 I C 2.279 178.418 176.117 0.037 0.000 1.111 117 I CA 1.632 62.939 61.300 0.011 0.000 1.382 117 I CB -0.272 37.730 38.000 0.004 0.000 1.060 117 I HN 0.798 nan 8.210 nan 0.000 0.418 118 S N -0.305 115.389 115.700 -0.010 0.000 2.402 118 S HA -0.200 4.247 4.470 -0.038 0.000 0.229 118 S C 1.970 176.698 174.600 0.213 0.000 1.021 118 S CA 0.890 59.125 58.200 0.058 0.000 0.974 118 S CB -0.480 62.729 63.200 0.015 0.000 0.800 118 S HN 0.434 nan 8.310 nan 0.000 0.484 119 H N 1.556 120.703 119.070 0.129 0.000 2.389 119 H HA 0.229 4.763 4.556 -0.038 0.000 0.299 119 H C 2.062 177.569 175.328 0.299 0.000 1.081 119 H CA 1.063 57.226 56.048 0.193 0.000 1.345 119 H CB -0.624 29.270 29.762 0.219 0.000 1.393 119 H HN 0.428 nan 8.280 nan 0.000 0.520 120 I N 0.254 121.052 120.570 0.380 0.000 2.286 120 I HA -0.249 3.898 4.170 -0.038 0.000 0.248 120 I C 2.770 178.985 176.117 0.165 0.000 1.115 120 I CA 1.032 62.519 61.300 0.311 0.000 1.392 120 I CB -0.162 37.946 38.000 0.179 0.000 1.065 120 I HN 0.113 nan 8.210 nan 0.000 0.418 121 R N -0.035 120.546 120.500 0.135 0.000 2.081 121 R HA -0.242 4.075 4.340 -0.038 0.000 0.235 121 R C 2.495 178.826 176.300 0.051 0.000 1.131 121 R CA 1.767 57.902 56.100 0.059 0.000 0.960 121 R CB -0.393 29.954 30.300 0.078 0.000 0.856 121 R HN 0.316 nan 8.270 nan 0.000 0.436 122 Y N 0.463 120.780 120.300 0.028 0.000 2.224 122 Y HA -0.178 4.349 4.550 -0.038 0.000 0.289 122 Y C 2.028 177.897 175.900 -0.052 0.000 1.146 122 Y CA 1.493 59.589 58.100 -0.008 0.000 1.182 122 Y CB -0.267 38.196 38.460 0.004 0.000 0.983 122 Y HN 0.164 nan 8.280 nan 0.000 0.524 123 A N 0.694 123.537 122.820 0.039 0.000 1.877 123 A HA -0.197 4.100 4.320 -0.038 0.000 0.216 123 A C 2.396 179.877 177.584 -0.173 0.000 1.186 123 A CA 1.711 53.722 52.037 -0.042 0.000 0.620 123 A CB -0.847 18.260 19.000 0.178 0.000 0.822 123 A HN 0.520 nan 8.150 nan 0.000 0.443 124 R N -0.289 120.005 120.500 -0.342 0.000 2.091 124 R HA -0.187 4.130 4.340 -0.038 0.000 0.238 124 R C 0.974 177.106 176.300 -0.280 0.000 1.136 124 R CA 2.000 57.752 56.100 -0.581 0.000 0.959 124 R CB -0.413 29.407 30.300 -0.800 0.000 0.856 124 R HN 0.428 nan 8.270 nan 0.000 0.437 125 D N -0.337 119.912 120.400 -0.252 0.000 2.317 125 D HA -0.021 4.596 4.640 -0.038 0.000 0.211 125 D C 1.181 177.328 176.300 -0.254 0.000 0.966 125 D CA 0.815 54.685 54.000 -0.216 0.000 0.876 125 D CB 0.230 40.908 40.800 -0.203 0.000 0.927 125 D HN 0.160 nan 8.370 nan 0.000 0.519 126 S N -0.877 114.627 115.700 -0.326 0.000 2.575 126 S HA 0.270 4.717 4.470 -0.038 0.000 0.215 126 S C 1.612 176.131 174.600 -0.135 0.000 0.966 126 S CA 0.432 58.461 58.200 -0.284 0.000 0.911 126 S CB 0.833 63.793 63.200 -0.400 0.000 0.780 126 S HN 0.403 nan 8.310 nan 0.000 0.514 127 G N 1.221 109.964 108.800 -0.094 0.000 2.159 127 G HA2 -0.254 3.683 3.960 -0.038 0.000 0.256 127 G HA3 -0.254 3.683 3.960 -0.038 0.000 0.256 127 G C 0.136 175.062 174.900 0.043 0.000 0.977 127 G CA 0.087 45.179 45.100 -0.014 0.000 0.652 127 G HN 0.425 nan 8.290 nan 0.000 0.531 128 V N 1.434 121.371 119.914 0.039 0.000 2.415 128 V HA 0.304 4.401 4.120 -0.038 0.000 0.267 128 V C 0.834 177.074 176.094 0.244 0.000 1.042 128 V CA 0.591 62.961 62.300 0.117 0.000 1.000 128 V CB 1.308 33.184 31.823 0.089 0.000 1.015 128 V HN 0.267 nan 8.190 nan 0.000 0.478 129 D N 2.695 123.228 120.400 0.221 0.000 2.422 129 D HA 0.083 4.700 4.640 -0.038 0.000 0.218 129 D C 0.594 176.956 176.300 0.104 0.000 1.047 129 D CA 0.494 54.621 54.000 0.213 0.000 0.885 129 D CB 0.624 41.498 40.800 0.123 0.000 1.035 129 D HN 0.381 nan 8.370 nan 0.000 0.502 130 V N 2.860 122.836 119.914 0.104 0.000 2.455 130 V HA 0.281 4.378 4.120 -0.038 0.000 0.273 130 V C 0.314 176.454 176.094 0.076 0.000 1.045 130 V CA 0.233 62.561 62.300 0.047 0.000 0.976 130 V CB 0.563 32.391 31.823 0.008 0.000 0.993 130 V HN -0.001 nan 8.190 nan 0.000 0.475 131 M N 3.867 123.482 119.600 0.025 0.000 2.593 131 M HA 0.547 5.004 4.480 -0.038 0.000 0.290 131 M C -0.132 176.163 176.300 -0.009 0.000 1.244 131 M CA -0.613 54.687 55.300 -0.001 0.000 0.857 131 M CB 2.651 35.219 32.600 -0.053 0.000 1.738 131 M HN 0.613 nan 8.290 nan 0.000 0.461 132 T N -0.698 113.830 114.554 -0.042 0.000 2.912 132 T HA 0.881 5.208 4.350 -0.038 0.000 0.280 132 T C -0.668 174.101 174.700 0.115 0.000 0.989 132 T CA -0.558 61.543 62.100 0.002 0.000 0.995 132 T CB 1.314 70.114 68.868 -0.114 0.000 1.077 132 T HN 0.696 nan 8.240 nan 0.000 0.531 133 F N -0.662 119.208 119.950 -0.134 0.000 2.719 133 F HA 0.614 5.118 4.527 -0.039 0.000 0.309 133 F C -1.017 174.748 175.800 -0.057 0.000 1.138 133 F CA -1.008 56.932 58.000 -0.100 0.000 0.943 133 F CB 1.283 40.224 39.000 -0.098 0.000 1.304 133 F HN 0.615 nan 8.300 nan 0.000 0.445 134 D N -0.083 120.225 120.400 -0.153 0.000 2.516 134 D HA 0.260 4.877 4.640 -0.038 0.000 0.241 134 D C -0.200 176.088 176.300 -0.021 0.000 1.246 134 D CA 0.279 54.163 54.000 -0.193 0.000 0.808 134 D CB 0.241 41.017 40.800 -0.040 0.000 1.147 134 D HN 0.972 nan 8.370 nan 0.000 0.527 135 C N -2.018 117.364 119.300 0.136 0.000 3.318 135 C HA 0.672 5.109 4.460 -0.038 0.000 0.322 135 C C 1.574 176.708 174.990 0.240 0.000 1.398 135 C CA -0.640 58.481 59.018 0.172 0.000 1.339 135 C CB 1.099 28.919 27.740 0.133 0.000 1.668 135 C HN -0.081 nan 8.230 nan 0.000 0.462 136 V N 1.328 121.343 119.914 0.169 0.000 2.515 136 V HA -0.122 3.975 4.120 -0.038 0.000 0.250 136 V C 2.040 178.173 176.094 0.064 0.000 1.058 136 V CA 2.710 65.068 62.300 0.098 0.000 1.064 136 V CB -0.897 30.960 31.823 0.057 0.000 0.675 136 V HN 0.970 nan 8.190 nan 0.000 0.461 137 D N -0.121 120.328 120.400 0.082 0.000 2.178 137 D HA -0.204 4.413 4.640 -0.038 0.000 0.201 137 D C 2.141 178.464 176.300 0.039 0.000 0.980 137 D CA 1.224 55.257 54.000 0.055 0.000 0.842 137 D CB -0.093 40.744 40.800 0.062 0.000 0.948 137 D HN 0.435 nan 8.370 nan 0.000 0.472 138 E N 0.449 120.687 120.200 0.063 0.000 2.077 138 E HA -0.098 4.229 4.350 -0.038 0.000 0.193 138 E C 1.858 178.434 176.600 -0.040 0.000 0.989 138 E CA 0.703 57.128 56.400 0.041 0.000 0.800 138 E CB -0.174 29.594 29.700 0.113 0.000 0.746 138 E HN 0.279 nan 8.360 nan 0.000 0.452 139 L N 0.450 121.616 121.223 -0.094 0.000 2.131 139 L HA -0.167 4.150 4.340 -0.038 0.000 0.210 139 L C 2.277 179.074 176.870 -0.121 0.000 1.092 139 L CA 1.372 56.084 54.840 -0.214 0.000 0.759 139 L CB -0.472 41.414 42.059 -0.288 0.000 0.903 139 L HN 0.233 nan 8.230 nan 0.000 0.435 140 E N 0.222 120.385 120.200 -0.061 0.000 2.072 140 E HA -0.208 4.119 4.350 -0.038 0.000 0.191 140 E C 2.163 178.747 176.600 -0.027 0.000 0.985 140 E CA 0.933 57.312 56.400 -0.035 0.000 0.801 140 E CB 0.018 29.712 29.700 -0.011 0.000 0.750 140 E HN 0.437 nan 8.360 nan 0.000 0.452 141 K N 0.552 120.940 120.400 -0.020 0.000 2.026 141 K HA -0.124 4.173 4.320 -0.038 0.000 0.208 141 K C 2.212 178.807 176.600 -0.010 0.000 1.048 141 K CA 1.171 57.453 56.287 -0.008 0.000 0.929 141 K CB -0.110 32.390 32.500 -0.001 0.000 0.713 141 K HN -0.009 nan 8.250 nan 0.000 0.439 142 V N 1.256 121.145 119.914 -0.041 0.000 2.427 142 V HA -0.229 3.868 4.120 -0.038 0.000 0.248 142 V C 2.317 178.389 176.094 -0.036 0.000 1.051 142 V CA 1.912 64.186 62.300 -0.043 0.000 1.048 142 V CB -0.591 31.153 31.823 -0.132 0.000 0.666 142 V HN 0.349 nan 8.190 nan 0.000 0.456 143 A N -0.086 122.701 122.820 -0.056 0.000 1.933 143 A HA -0.227 4.070 4.320 -0.038 0.000 0.218 143 A C 2.280 179.858 177.584 -0.010 0.000 1.175 143 A CA 1.892 53.904 52.037 -0.042 0.000 0.628 143 A CB -0.360 18.611 19.000 -0.048 0.000 0.814 143 A HN 0.560 nan 8.150 nan 0.000 0.444 144 K N -1.292 119.108 120.400 -0.001 0.000 2.228 144 K HA -0.000 4.297 4.320 -0.038 0.000 0.202 144 K C 1.513 178.129 176.600 0.028 0.000 1.051 144 K CA 1.549 57.842 56.287 0.011 0.000 0.960 144 K CB 0.011 32.516 32.500 0.009 0.000 0.743 144 K HN 0.500 nan 8.250 nan 0.000 0.458 145 T N -1.542 113.039 114.554 0.045 0.000 3.056 145 T HA 0.007 4.334 4.350 -0.038 0.000 0.243 145 T C 0.307 175.083 174.700 0.127 0.000 0.995 145 T CA 0.299 62.439 62.100 0.067 0.000 1.091 145 T CB 0.198 69.105 68.868 0.066 0.000 0.990 145 T HN 0.246 nan 8.240 nan 0.000 0.464 146 H N 1.751 120.820 119.070 -0.001 0.000 2.511 146 H HA 0.225 4.758 4.556 -0.039 0.000 0.228 146 H C -2.110 173.208 175.328 -0.017 0.000 1.424 146 H CA -2.033 54.015 56.048 0.001 0.000 1.321 146 H CB 1.410 31.183 29.762 0.017 0.000 1.720 146 H HN 0.033 nan 8.280 nan 0.000 0.512 147 P HA -0.129 nan 4.420 nan 0.000 0.222 147 P C 0.605 177.854 177.300 -0.085 0.000 1.147 147 P CA 0.965 64.046 63.100 -0.032 0.000 0.790 147 P CB 0.237 31.936 31.700 -0.001 0.000 0.780 148 K N -0.651 119.692 120.400 -0.095 0.000 2.410 148 K HA 0.325 4.622 4.320 -0.038 0.000 0.200 148 K C 0.797 177.263 176.600 -0.223 0.000 1.023 148 K CA -0.365 55.861 56.287 -0.103 0.000 1.149 148 K CB 0.358 32.848 32.500 -0.017 0.000 0.859 148 K HN 0.039 nan 8.250 nan 0.000 0.514 149 A N 1.596 124.128 122.820 -0.481 0.000 2.445 149 A HA 0.126 4.423 4.320 -0.038 0.000 0.242 149 A C -0.380 177.056 177.584 -0.247 0.000 1.075 149 A CA -0.015 51.691 52.037 -0.553 0.000 0.777 149 A CB 0.200 18.724 19.000 -0.792 0.000 1.013 149 A HN 0.083 nan 8.150 nan 0.000 0.493 150 K N 2.161 122.472 120.400 -0.148 0.000 2.267 150 K HA 0.360 4.657 4.320 -0.038 0.000 0.282 150 K C -0.459 176.079 176.600 -0.103 0.000 1.078 150 K CA 0.279 56.510 56.287 -0.093 0.000 0.903 150 K CB 0.742 33.228 32.500 -0.023 0.000 1.111 150 K HN 0.574 nan 8.250 nan 0.000 0.475 151 M N 2.923 122.446 119.600 -0.127 0.000 2.238 151 M HA 0.317 4.774 4.480 -0.038 0.000 0.350 151 M C -0.612 175.724 176.300 0.059 0.000 1.138 151 M CA -0.900 54.357 55.300 -0.072 0.000 1.040 151 M CB 1.553 33.977 32.600 -0.293 0.000 1.639 151 M HN 0.160 nan 8.290 nan 0.000 0.451 152 V N 4.889 124.884 119.914 0.134 0.000 2.384 152 V HA 0.312 4.409 4.120 -0.038 0.000 0.287 152 V C -0.351 175.724 176.094 -0.032 0.000 1.020 152 V CA -0.923 61.397 62.300 0.033 0.000 0.850 152 V CB 1.747 33.541 31.823 -0.049 0.000 0.987 152 V HN 0.695 nan 8.190 nan 0.000 0.436 153 L N 6.284 127.388 121.223 -0.200 0.000 2.369 153 L HA 0.406 4.723 4.340 -0.038 0.000 0.279 153 L C 0.413 177.074 176.870 -0.349 0.000 1.108 153 L CA 0.275 54.727 54.840 -0.647 0.000 0.852 153 L CB 0.423 42.179 42.059 -0.505 0.000 1.169 153 L HN 0.694 nan 8.230 nan 0.000 0.452 154 R N 6.450 126.726 120.500 -0.373 0.000 2.234 154 R HA 0.519 4.836 4.340 -0.038 0.000 0.324 154 R C -0.513 175.727 176.300 -0.099 0.000 1.054 154 R CA -0.465 55.536 56.100 -0.165 0.000 0.912 154 R CB 0.339 30.545 30.300 -0.158 0.000 1.030 154 R HN 0.819 nan 8.270 nan 0.000 0.455 155 I N 0.790 121.368 120.570 0.012 0.000 2.607 155 I HA 0.448 4.595 4.170 -0.038 0.000 0.305 155 I C 0.004 176.162 176.117 0.069 0.000 0.995 155 I CA -0.849 60.472 61.300 0.035 0.000 1.148 155 I CB 2.018 40.053 38.000 0.059 0.000 1.323 155 I HN 0.524 nan 8.210 nan 0.000 0.461 156 S N 3.176 118.901 115.700 0.041 0.000 2.580 156 S HA 0.406 4.853 4.470 -0.038 0.000 0.274 156 S C 0.197 174.793 174.600 -0.006 0.000 1.329 156 S CA -0.262 57.959 58.200 0.035 0.000 1.036 156 S CB 0.643 63.855 63.200 0.020 0.000 0.919 156 S HN 0.792 nan 8.310 nan 0.000 0.515 170 F N 0.941 120.892 119.950 0.002 0.000 2.599 170 F HA 0.705 5.206 4.527 -0.042 0.000 0.311 170 F C 0.158 175.955 175.800 -0.004 0.000 1.076 170 F CA -0.598 57.400 58.000 -0.004 0.000 0.937 170 F CB 2.818 41.814 39.000 -0.006 0.000 1.282 170 F HN 0.122 nan 8.300 nan 0.000 0.460 171 G N 1.426 110.347 108.800 0.202 0.000 3.448 171 G HA2 0.348 4.285 3.960 -0.038 0.000 0.685 171 G HA3 0.348 4.285 3.960 -0.038 0.000 0.685 171 G C -1.062 173.867 174.900 0.048 0.000 1.151 171 G CA -0.782 44.373 45.100 0.092 0.000 1.023 171 G HN 1.074 nan 8.290 nan 0.000 0.499 172 A N 2.983 125.806 122.820 0.005 0.000 2.450 172 A HA 0.638 4.935 4.320 -0.038 0.000 0.255 172 A C 0.930 178.526 177.584 0.020 0.000 1.096 172 A CA 0.244 52.285 52.037 0.006 0.000 0.778 172 A CB 0.348 19.327 19.000 -0.034 0.000 1.031 172 A HN 0.799 nan 8.150 nan 0.000 0.494 173 K N 1.321 121.739 120.400 0.030 0.000 2.355 173 K HA 0.148 4.445 4.320 -0.038 0.000 0.270 173 K C 1.509 178.139 176.600 0.049 0.000 1.003 173 K CA 0.287 56.591 56.287 0.028 0.000 0.957 173 K CB 0.865 33.378 32.500 0.021 0.000 0.939 173 K HN 0.625 nan 8.250 nan 0.000 0.482 174 V N 0.150 120.095 119.914 0.052 0.000 2.469 174 V HA -0.268 3.829 4.120 -0.038 0.000 0.251 174 V C 1.384 177.562 176.094 0.139 0.000 1.064 174 V CA 1.605 63.969 62.300 0.108 0.000 1.066 174 V CB -0.705 31.172 31.823 0.089 0.000 0.667 174 V HN 0.735 nan 8.190 nan 0.000 0.461 175 E N 0.720 120.972 120.200 0.086 0.000 2.150 175 E HA -0.150 4.177 4.350 -0.038 0.000 0.193 175 E C 1.850 178.516 176.600 0.109 0.000 0.985 175 E CA 1.413 57.867 56.400 0.090 0.000 0.814 175 E CB -0.293 29.433 29.700 0.043 0.000 0.752 175 E HN 0.640 nan 8.360 nan 0.000 0.466 176 D N -0.070 120.392 120.400 0.103 0.000 2.347 176 D HA -0.021 4.596 4.640 -0.038 0.000 0.213 176 D C 1.510 177.917 176.300 0.179 0.000 0.985 176 D CA 0.348 54.432 54.000 0.139 0.000 0.879 176 D CB -0.014 40.856 40.800 0.117 0.000 0.919 176 D HN 0.224 nan 8.370 nan 0.000 0.526 177 C N 0.688 120.071 119.300 0.139 0.000 2.425 177 C HA -0.073 4.364 4.460 -0.038 0.000 0.277 177 C C 2.701 177.755 174.990 0.107 0.000 1.280 177 C CA 0.261 59.342 59.018 0.104 0.000 1.744 177 C CB -0.705 27.090 27.740 0.091 0.000 1.989 177 C HN 0.358 nan 8.230 nan 0.000 0.491 178 R N 0.161 120.741 120.500 0.133 0.000 2.080 178 R HA -0.202 4.115 4.340 -0.038 0.000 0.236 178 R C 2.144 178.534 176.300 0.149 0.000 1.137 178 R CA 2.188 58.360 56.100 0.120 0.000 0.943 178 R CB -0.696 29.681 30.300 0.129 0.000 0.846 178 R HN 0.493 nan 8.270 nan 0.000 0.431 179 F N 1.035 121.020 119.950 0.058 0.000 2.126 179 F HA -0.152 4.351 4.527 -0.039 0.000 0.299 179 F C 1.834 177.676 175.800 0.070 0.000 1.096 179 F CA 1.536 59.570 58.000 0.058 0.000 1.255 179 F CB -0.193 38.837 39.000 0.049 0.000 0.997 179 F HN 0.039 nan 8.300 nan 0.000 0.479 180 I N -0.075 120.492 120.570 -0.005 0.000 2.226 180 I HA -0.315 3.832 4.170 -0.038 0.000 0.245 180 I C 2.278 178.356 176.117 -0.065 0.000 1.100 180 I CA 1.244 62.503 61.300 -0.069 0.000 1.374 180 I CB -0.459 37.593 38.000 0.086 0.000 1.057 180 I HN 0.170 nan 8.210 nan 0.000 0.413 181 L N 0.005 121.225 121.223 -0.005 0.000 2.156 181 L HA -0.166 4.151 4.340 -0.038 0.000 0.208 181 L C 2.397 179.338 176.870 0.119 0.000 1.095 181 L CA 1.221 56.086 54.840 0.042 0.000 0.770 181 L CB -0.527 41.577 42.059 0.075 0.000 0.914 181 L HN 0.224 nan 8.230 nan 0.000 0.439 182 E N -0.402 119.805 120.200 0.012 0.000 2.077 182 E HA -0.225 4.102 4.350 -0.038 0.000 0.193 182 E C 2.294 178.844 176.600 -0.084 0.000 0.989 182 E CA 0.918 57.309 56.400 -0.016 0.000 0.800 182 E CB 0.040 29.719 29.700 -0.035 0.000 0.746 182 E HN 0.408 nan 8.360 nan 0.000 0.452 183 Q N -0.036 119.617 119.800 -0.243 0.000 2.119 183 Q HA -0.080 4.237 4.340 -0.038 0.000 0.201 183 Q C 2.160 178.099 176.000 -0.102 0.000 0.972 183 Q CA 1.310 56.970 55.803 -0.238 0.000 0.847 183 Q CB -0.366 28.123 28.738 -0.414 0.000 0.903 183 Q HN 0.265 nan 8.270 nan 0.000 0.433 184 A N 0.984 123.774 122.820 -0.051 0.000 1.972 184 A HA -0.198 4.099 4.320 -0.038 0.000 0.219 184 A C 2.156 179.832 177.584 0.153 0.000 1.169 184 A CA 1.840 53.869 52.037 -0.013 0.000 0.635 184 A CB -0.285 18.654 19.000 -0.102 0.000 0.810 184 A HN 0.205 nan 8.150 nan 0.000 0.446 185 K N 0.285 120.836 120.400 0.251 0.000 2.097 185 K HA -0.055 4.242 4.320 -0.038 0.000 0.205 185 K C 1.860 178.465 176.600 0.009 0.000 1.050 185 K CA 1.716 58.077 56.287 0.123 0.000 0.938 185 K CB -0.188 32.302 32.500 -0.018 0.000 0.718 185 K HN 0.466 nan 8.250 nan 0.000 0.442 186 K N -0.188 120.208 120.400 -0.007 0.000 2.211 186 K HA -0.022 4.275 4.320 -0.038 0.000 0.203 186 K C 1.521 178.107 176.600 -0.024 0.000 1.050 186 K CA 1.015 57.287 56.287 -0.025 0.000 0.945 186 K CB 0.019 32.499 32.500 -0.032 0.000 0.732 186 K HN 0.142 nan 8.250 nan 0.000 0.451 187 L N 0.530 121.738 121.223 -0.024 0.000 2.591 187 L HA 0.044 4.361 4.340 -0.038 0.000 0.228 187 L C 0.158 177.012 176.870 -0.026 0.000 1.133 187 L CA -0.179 54.640 54.840 -0.034 0.000 0.880 187 L CB -0.306 41.716 42.059 -0.060 0.000 1.033 187 L HN 0.268 nan 8.230 nan 0.000 0.450 188 N N 0.658 119.356 118.700 -0.004 0.000 2.735 188 N HA -0.200 4.517 4.740 -0.038 0.000 0.248 188 N C -0.318 175.199 175.510 0.012 0.000 1.083 188 N CA 0.301 53.354 53.050 0.004 0.000 0.703 188 N CB -0.796 37.682 38.487 -0.015 0.000 1.005 188 N HN 0.048 nan 8.380 nan 0.000 0.550 189 I N 0.391 120.975 120.570 0.023 0.000 2.529 189 I HA 0.073 4.220 4.170 -0.038 0.000 0.284 189 I C 0.863 177.008 176.117 0.047 0.000 1.082 189 I CA -0.075 61.196 61.300 -0.048 0.000 1.406 189 I CB 0.859 38.741 38.000 -0.198 0.000 1.405 189 I HN 0.172 nan 8.210 nan 0.000 0.548 190 D N 6.582 126.966 120.400 -0.026 0.000 2.551 190 D HA 0.114 4.731 4.640 -0.038 0.000 0.223 190 D C -0.349 175.904 176.300 -0.079 0.000 1.144 190 D CA -0.196 53.817 54.000 0.022 0.000 1.025 190 D CB 0.099 40.895 40.800 -0.006 0.000 1.085 190 D HN 0.114 nan 8.370 nan 0.000 0.506 191 V N 3.135 122.940 119.914 -0.181 0.000 2.479 191 V HA 0.123 4.220 4.120 -0.038 0.000 0.281 191 V C 1.668 177.624 176.094 -0.231 0.000 1.031 191 V CA 0.482 62.564 62.300 -0.364 0.000 1.038 191 V CB 0.911 32.200 31.823 -0.889 0.000 0.981 191 V HN 0.634 nan 8.190 nan 0.000 0.478 192 T N 0.606 115.027 114.554 -0.222 0.000 3.091 192 T HA 0.580 4.907 4.350 -0.038 0.000 0.277 192 T C 0.482 174.958 174.700 -0.372 0.000 0.996 192 T CA 0.305 62.215 62.100 -0.317 0.000 0.897 192 T CB 0.465 69.077 68.868 -0.427 0.000 1.109 192 T HN 1.094 nan 8.240 nan 0.000 0.534 193 G N 0.194 108.837 108.800 -0.261 0.000 2.340 193 G HA2 0.501 4.438 3.960 -0.038 0.000 0.299 193 G HA3 0.501 4.438 3.960 -0.038 0.000 0.299 193 G C -2.278 172.592 174.900 -0.051 0.000 1.291 193 G CA -0.387 44.627 45.100 -0.143 0.000 0.841 193 G HN 0.356 nan 8.290 nan 0.000 0.500 194 V N 0.709 120.689 119.914 0.112 0.000 2.760 194 V HA 0.784 4.881 4.120 -0.038 0.000 0.309 194 V C 0.073 176.215 176.094 0.081 0.000 1.077 194 V CA -0.139 62.229 62.300 0.114 0.000 0.910 194 V CB 1.592 33.587 31.823 0.285 0.000 1.008 194 V HN 1.478 nan 8.190 nan 0.000 0.424 195 S N 3.993 119.706 115.700 0.021 0.000 2.634 195 S HA 0.995 5.442 4.470 -0.038 0.000 0.296 195 S C -0.966 173.689 174.600 0.091 0.000 1.104 195 S CA -0.631 57.546 58.200 -0.038 0.000 0.920 195 S CB 2.489 65.623 63.200 -0.109 0.000 1.111 195 S HN 1.138 nan 8.310 nan 0.000 0.493 196 F N -1.607 118.355 119.950 0.020 0.000 2.711 196 F HA 0.786 5.290 4.527 -0.038 0.000 0.313 196 F C -1.203 174.651 175.800 0.090 0.000 1.141 196 F CA -1.041 56.975 58.000 0.027 0.000 0.941 196 F CB 1.167 40.165 39.000 -0.003 0.000 1.349 196 F HN 0.857 nan 8.300 nan 0.000 0.464 197 H N 0.786 119.969 119.070 0.189 0.000 3.177 197 H HA 0.544 5.075 4.556 -0.042 0.000 0.314 197 H C -0.464 174.896 175.328 0.053 0.000 1.059 197 H CA -0.662 55.425 56.048 0.066 0.000 1.515 197 H CB 1.677 31.446 29.762 0.011 0.000 1.672 197 H HN 0.572 nan 8.280 nan 0.000 0.514 198 V N 3.683 123.402 119.914 -0.326 0.000 2.427 198 V HA 0.101 4.198 4.120 -0.038 0.000 0.248 198 V C 1.526 177.328 176.094 -0.487 0.000 1.051 198 V CA 1.575 63.596 62.300 -0.465 0.000 1.048 198 V CB -1.117 30.169 31.823 -0.897 0.000 0.666 198 V HN 1.153 nan 8.190 nan 0.000 0.456 199 G N -0.644 107.703 108.800 -0.755 0.000 2.710 199 G HA2 -0.198 3.739 3.960 -0.038 0.000 0.668 199 G HA3 -0.198 3.739 3.960 -0.038 0.000 0.668 199 G C 0.504 175.254 174.900 -0.250 0.000 1.320 199 G CA 0.021 44.845 45.100 -0.460 0.000 0.860 199 G HN 0.227 nan 8.290 nan 0.000 0.538 200 S N -0.808 114.826 115.700 -0.110 0.000 2.501 200 S HA 0.233 4.680 4.470 -0.038 0.000 0.220 200 S C 1.917 176.495 174.600 -0.037 0.000 0.997 200 S CA 1.560 59.743 58.200 -0.029 0.000 0.919 200 S CB -0.340 62.873 63.200 0.023 0.000 0.778 200 S HN 1.917 nan 8.310 nan 0.000 0.523 201 G N 1.014 109.762 108.800 -0.088 0.000 3.541 201 G HA2 0.358 4.295 3.960 -0.038 0.000 0.253 201 G HA3 0.358 4.295 3.960 -0.038 0.000 0.253 201 G C -0.402 174.460 174.900 -0.064 0.000 1.017 201 G CA -0.193 44.859 45.100 -0.079 0.000 1.832 201 G HN 0.320 nan 8.290 nan 0.000 0.649 202 S N -0.252 115.428 115.700 -0.034 0.000 2.456 202 S HA 0.398 4.845 4.470 -0.038 0.000 0.316 202 S C 1.561 176.171 174.600 0.017 0.000 1.089 202 S CA -0.230 57.955 58.200 -0.026 0.000 1.101 202 S CB 1.259 64.446 63.200 -0.022 0.000 0.995 202 S HN 0.545 nan 8.310 nan 0.000 0.468 203 T N 0.422 114.980 114.554 0.007 0.000 3.009 203 T HA 0.123 4.450 4.350 -0.038 0.000 0.258 203 T C 0.336 175.055 174.700 0.031 0.000 1.063 203 T CA 0.397 62.510 62.100 0.021 0.000 1.139 203 T CB -0.006 68.868 68.868 0.010 0.000 0.890 203 T HN 0.442 nan 8.240 nan 0.000 0.471 204 D N 0.254 120.668 120.400 0.024 0.000 2.248 204 D HA 0.650 5.267 4.640 -0.038 0.000 0.246 204 D C 0.478 176.821 176.300 0.071 0.000 1.027 204 D CA -0.479 53.542 54.000 0.036 0.000 0.853 204 D CB 2.049 42.857 40.800 0.013 0.000 1.243 204 D HN 0.164 nan 8.370 nan 0.000 0.462 205 A N 1.892 124.775 122.820 0.106 0.000 2.238 205 A HA -0.036 4.261 4.320 -0.038 0.000 0.208 205 A C 1.807 179.494 177.584 0.173 0.000 1.177 205 A CA 0.969 53.128 52.037 0.203 0.000 0.804 205 A CB -0.385 18.697 19.000 0.136 0.000 0.823 205 A HN 0.509 nan 8.150 nan 0.000 0.482 206 S N -0.684 115.061 115.700 0.075 0.000 2.447 206 S HA -0.144 4.303 4.470 -0.038 0.000 0.233 206 S C 1.698 176.294 174.600 -0.007 0.000 1.006 206 S CA 1.769 59.990 58.200 0.035 0.000 0.957 206 S CB -0.992 62.211 63.200 0.006 0.000 0.773 206 S HN 0.457 nan 8.310 nan 0.000 0.507 207 T N 1.729 116.253 114.554 -0.049 0.000 2.720 207 T HA -0.010 4.317 4.350 -0.038 0.000 0.268 207 T C 1.189 175.740 174.700 -0.248 0.000 1.037 207 T CA 1.553 63.542 62.100 -0.185 0.000 1.144 207 T CB -0.585 68.115 68.868 -0.281 0.000 0.864 207 T HN 0.467 nan 8.240 nan 0.000 0.444 208 F N 1.614 121.520 119.950 -0.074 0.000 2.134 208 F HA 0.057 4.559 4.527 -0.042 0.000 0.299 208 F C 2.659 178.403 175.800 -0.094 0.000 1.097 208 F CA 0.803 58.777 58.000 -0.044 0.000 1.264 208 F CB -0.731 38.298 39.000 0.049 0.000 1.001 208 F HN 0.131 nan 8.300 nan 0.000 0.479 209 A N -0.725 122.161 122.820 0.110 0.000 1.969 209 A HA -0.218 4.079 4.320 -0.038 0.000 0.218 209 A C 2.048 179.591 177.584 -0.068 0.000 1.169 209 A CA 1.654 53.717 52.037 0.042 0.000 0.635 209 A CB -0.679 18.356 19.000 0.058 0.000 0.810 209 A HN 0.394 nan 8.150 nan 0.000 0.445 210 Q N -0.112 119.616 119.800 -0.119 0.000 2.137 210 Q HA 0.127 4.444 4.340 -0.038 0.000 0.198 210 Q C 1.941 177.779 176.000 -0.270 0.000 0.960 210 Q CA 1.834 57.536 55.803 -0.168 0.000 0.847 210 Q CB -0.540 28.110 28.738 -0.147 0.000 0.915 210 Q HN 0.485 nan 8.270 nan 0.000 0.448 211 A N 0.320 122.884 122.820 -0.426 0.000 1.898 211 A HA -0.091 4.206 4.320 -0.038 0.000 0.216 211 A C 2.102 179.286 177.584 -0.667 0.000 1.181 211 A CA 1.399 52.975 52.037 -0.768 0.000 0.620 211 A CB -0.662 17.411 19.000 -1.546 0.000 0.819 211 A HN 0.468 nan 8.150 nan 0.000 0.442 212 I N -0.739 119.581 120.570 -0.417 0.000 2.315 212 I HA -0.197 3.950 4.170 -0.038 0.000 0.248 212 I C 2.821 178.882 176.117 -0.093 0.000 1.117 212 I CA 1.398 62.664 61.300 -0.057 0.000 1.404 212 I CB -0.177 37.884 38.000 0.102 0.000 1.071 212 I HN 0.406 nan 8.210 nan 0.000 0.419 213 S N 0.624 116.112 115.700 -0.353 0.000 2.368 213 S HA -0.218 4.229 4.470 -0.038 0.000 0.225 213 S C 1.713 176.196 174.600 -0.194 0.000 1.030 213 S CA 1.830 59.677 58.200 -0.589 0.000 0.999 213 S CB -0.258 62.676 63.200 -0.444 0.000 0.844 213 S HN 0.371 nan 8.310 nan 0.000 0.459 214 D N 0.776 121.103 120.400 -0.121 0.000 2.178 214 D HA 0.028 4.645 4.640 -0.038 0.000 0.202 214 D C 2.174 178.556 176.300 0.137 0.000 0.974 214 D CA 0.876 54.876 54.000 -0.001 0.000 0.841 214 D CB -0.510 40.249 40.800 -0.068 0.000 0.953 214 D HN 0.374 nan 8.370 nan 0.000 0.478 215 S N 0.375 116.160 115.700 0.141 0.000 2.402 215 S HA -0.150 4.297 4.470 -0.038 0.000 0.229 215 S C 1.894 176.776 174.600 0.470 0.000 1.021 215 S CA 0.749 59.146 58.200 0.329 0.000 0.974 215 S CB 0.111 63.537 63.200 0.376 0.000 0.800 215 S HN 0.104 nan 8.310 nan 0.000 0.484 216 R N 0.903 121.603 120.500 0.332 0.000 2.092 216 R HA 0.050 4.367 4.340 -0.038 0.000 0.231 216 R C 1.788 178.205 176.300 0.195 0.000 1.119 216 R CA 1.083 57.237 56.100 0.090 0.000 0.970 216 R CB -0.770 29.445 30.300 -0.141 0.000 0.864 216 R HN 0.392 nan 8.270 nan 0.000 0.440 217 F N -0.241 119.756 119.950 0.078 0.000 2.134 217 F HA -0.124 4.379 4.527 -0.039 0.000 0.299 217 F C 1.685 177.551 175.800 0.110 0.000 1.097 217 F CA 1.437 59.481 58.000 0.074 0.000 1.264 217 F CB -0.141 38.883 39.000 0.041 0.000 1.001 217 F HN -0.131 nan 8.300 nan 0.000 0.479 218 V N -0.706 119.313 119.914 0.175 0.000 2.591 218 V HA -0.218 3.879 4.120 -0.038 0.000 0.249 218 V C 2.136 178.286 176.094 0.093 0.000 1.053 218 V CA 1.398 63.744 62.300 0.077 0.000 1.068 218 V CB -0.954 30.957 31.823 0.148 0.000 0.689 218 V HN 0.300 nan 8.190 nan 0.000 0.462 219 F N 1.502 121.491 119.950 0.066 0.000 2.095 219 F HA -0.209 4.295 4.527 -0.039 0.000 0.298 219 F C 2.250 178.062 175.800 0.020 0.000 1.104 219 F CA 2.092 60.145 58.000 0.089 0.000 1.232 219 F CB -0.199 38.914 39.000 0.189 0.000 0.987 219 F HN 0.215 nan 8.300 nan 0.000 0.475 220 D N -0.450 120.042 120.400 0.153 0.000 2.144 220 D HA -0.188 4.429 4.640 -0.038 0.000 0.200 220 D C 2.432 178.699 176.300 -0.054 0.000 0.978 220 D CA 1.186 55.206 54.000 0.034 0.000 0.833 220 D CB -0.357 40.430 40.800 -0.021 0.000 0.961 220 D HN 0.303 nan 8.370 nan 0.000 0.470 221 M N 0.258 119.774 119.600 -0.140 0.000 2.108 221 M HA -0.092 4.365 4.480 -0.038 0.000 0.261 221 M C 2.254 178.549 176.300 -0.008 0.000 1.066 221 M CA 1.643 56.866 55.300 -0.129 0.000 1.107 221 M CB -0.453 32.030 32.600 -0.194 0.000 1.356 221 M HN 0.047 nan 8.290 nan 0.000 0.406 222 G N -0.493 108.304 108.800 -0.005 0.000 2.418 222 G HA2 -0.193 3.744 3.960 -0.038 0.000 0.217 222 G HA3 -0.193 3.744 3.960 -0.038 0.000 0.217 222 G C 1.399 176.380 174.900 0.134 0.000 1.158 222 G CA 1.499 46.653 45.100 0.090 0.000 0.771 222 G HN 0.393 nan 8.290 nan 0.000 0.545 223 T N 0.372 114.940 114.554 0.024 0.000 2.777 223 T HA -0.077 4.250 4.350 -0.038 0.000 0.266 223 T C 2.083 176.790 174.700 0.012 0.000 1.040 223 T CA 1.359 63.476 62.100 0.028 0.000 1.141 223 T CB -0.181 68.712 68.868 0.042 0.000 0.868 223 T HN 0.491 nan 8.240 nan 0.000 0.444 224 E N 0.792 120.994 120.200 0.003 0.000 2.160 224 E HA -0.097 4.230 4.350 -0.038 0.000 0.195 224 E C 1.730 178.310 176.600 -0.032 0.000 0.991 224 E CA 0.820 57.211 56.400 -0.015 0.000 0.810 224 E CB -0.153 29.532 29.700 -0.024 0.000 0.742 224 E HN 0.461 nan 8.360 nan 0.000 0.466 225 L N -0.778 120.433 121.223 -0.022 0.000 2.591 225 L HA 0.164 4.481 4.340 -0.038 0.000 0.228 225 L C 1.379 178.076 176.870 -0.288 0.000 1.133 225 L CA 0.503 55.286 54.840 -0.095 0.000 0.880 225 L CB 0.383 42.450 42.059 0.014 0.000 1.033 225 L HN 0.399 nan 8.230 nan 0.000 0.450 226 G N -0.717 107.950 108.800 -0.222 0.000 2.163 226 G HA2 -0.256 3.681 3.960 -0.038 0.000 0.213 226 G HA3 -0.256 3.681 3.960 -0.038 0.000 0.213 226 G C 0.113 174.829 174.900 -0.307 0.000 0.991 226 G CA -0.628 44.314 45.100 -0.264 0.000 0.653 226 G HN 0.153 nan 8.290 nan 0.000 0.518 227 F N 0.546 120.461 119.950 -0.057 0.000 2.382 227 F HA 0.491 4.996 4.527 -0.037 0.000 0.331 227 F C 0.978 176.738 175.800 -0.066 0.000 1.121 227 F CA -0.642 57.316 58.000 -0.069 0.000 1.183 227 F CB 0.772 39.714 39.000 -0.098 0.000 1.207 227 F HN 0.017 nan 8.300 nan 0.000 0.555 228 N N 3.310 122.113 118.700 0.172 0.000 2.868 228 N HA 0.098 4.815 4.740 -0.038 0.000 0.252 228 N C -1.008 174.538 175.510 0.059 0.000 1.130 228 N CA -0.274 52.847 53.050 0.118 0.000 1.026 228 N CB -0.054 38.522 38.487 0.147 0.000 1.335 228 N HN 0.334 nan 8.380 nan 0.000 0.516 229 M N 2.706 122.270 119.600 -0.061 0.000 2.194 229 M HA 0.094 4.551 4.480 -0.038 0.000 0.347 229 M C 0.470 176.771 176.300 0.002 0.000 1.439 229 M CA 0.043 55.126 55.300 -0.361 0.000 1.131 229 M CB -0.203 31.796 32.600 -1.001 0.000 1.733 229 M HN 0.558 nan 8.290 nan 0.000 0.467 230 H N 1.586 120.714 119.070 0.097 0.000 3.540 230 H HA 0.574 5.107 4.556 -0.038 0.000 0.259 230 H C -0.820 174.696 175.328 0.313 0.000 1.197 230 H CA -0.274 55.943 56.048 0.281 0.000 1.136 230 H CB 0.252 30.108 29.762 0.157 0.000 1.605 230 H HN 0.540 nan 8.280 nan 0.000 0.657 231 I N 1.671 122.371 120.570 0.217 0.000 2.499 231 I HA 0.278 4.425 4.170 -0.038 0.000 0.288 231 I C -1.482 174.786 176.117 0.252 0.000 1.048 231 I CA -1.311 60.090 61.300 0.169 0.000 1.062 231 I CB 2.780 40.759 38.000 -0.036 0.000 1.238 231 I HN 0.071 nan 8.210 nan 0.000 0.426 232 L N 6.312 127.576 121.223 0.069 0.000 2.305 232 L HA 0.558 4.875 4.340 -0.038 0.000 0.284 232 L C -0.991 175.808 176.870 -0.120 0.000 1.013 232 L CA 0.103 54.882 54.840 -0.101 0.000 0.819 232 L CB 1.314 43.036 42.059 -0.561 0.000 1.227 232 L HN 0.446 nan 8.230 nan 0.000 0.417 233 D N 4.518 124.839 120.400 -0.132 0.000 2.425 233 D HA 0.265 4.882 4.640 -0.038 0.000 0.240 233 D C 0.581 176.644 176.300 -0.395 0.000 1.080 233 D CA -0.324 53.568 54.000 -0.180 0.000 0.836 233 D CB 1.129 41.834 40.800 -0.158 0.000 1.125 233 D HN 0.616 nan 8.370 nan 0.000 0.525 234 I N 1.146 121.487 120.570 -0.381 0.000 3.956 234 I HA 0.494 4.641 4.170 -0.038 0.000 0.333 234 I C 1.040 176.865 176.117 -0.487 0.000 1.302 234 I CA -0.106 60.714 61.300 -0.801 0.000 1.122 234 I CB -0.032 37.887 38.000 -0.135 0.000 1.013 234 I HN 0.468 nan 8.210 nan 0.000 0.405 235 G N 1.102 109.811 108.800 -0.151 0.000 2.525 235 G HA2 -0.012 3.925 3.960 -0.038 0.000 0.248 235 G HA3 -0.012 3.925 3.960 -0.038 0.000 0.248 235 G C -0.021 175.078 174.900 0.332 0.000 1.238 235 G CA -0.347 44.817 45.100 0.106 0.000 0.926 235 G HN 0.877 nan 8.290 nan 0.000 0.574 236 G N -3.250 105.772 108.800 0.370 0.000 3.222 236 G HA2 0.786 4.723 3.960 -0.038 0.000 0.263 236 G HA3 0.786 4.723 3.960 -0.038 0.000 0.263 236 G C 1.098 175.878 174.900 -0.201 0.000 1.312 236 G CA 1.059 46.311 45.100 0.254 0.000 0.934 236 G HN 2.596 nan 8.290 nan 0.000 0.577 237 G N -1.946 106.835 108.800 -0.031 0.000 2.184 237 G HA2 -0.153 3.784 3.960 -0.038 0.000 0.206 237 G HA3 -0.153 3.784 3.960 -0.038 0.000 0.206 237 G C 0.160 175.076 174.900 0.027 0.000 0.995 237 G CA -0.048 45.012 45.100 -0.067 0.000 0.651 237 G HN 0.640 nan 8.290 nan 0.000 0.511 238 F N 2.692 122.866 119.950 0.373 0.000 2.484 238 F HA 0.442 4.944 4.527 -0.043 0.000 0.360 238 F C -0.941 175.078 175.800 0.365 0.000 1.101 238 F CA -1.806 56.426 58.000 0.387 0.000 1.251 238 F CB 0.429 39.678 39.000 0.416 0.000 1.132 238 F HN -0.095 nan 8.300 nan 0.000 0.570 239 P HA 0.123 nan 4.420 nan 0.000 0.271 239 P C 0.218 177.696 177.300 0.297 0.000 1.218 239 P CA -0.177 63.129 63.100 0.344 0.000 0.780 239 P CB 1.065 32.940 31.700 0.290 0.000 0.901 240 G N 0.669 109.569 108.800 0.167 0.000 3.519 240 G HA2 0.229 4.166 3.960 -0.038 0.000 0.269 240 G HA3 0.229 4.166 3.960 -0.038 0.000 0.269 240 G C 0.164 175.062 174.900 -0.003 0.000 1.028 240 G CA -0.013 45.086 45.100 -0.001 0.000 0.809 240 G HN 0.659 nan 8.290 nan 0.000 0.521 241 T N -3.835 110.756 114.554 0.062 0.000 2.907 241 T HA 0.529 4.856 4.350 -0.038 0.000 0.290 241 T C 0.842 175.584 174.700 0.070 0.000 1.066 241 T CA -0.781 61.359 62.100 0.065 0.000 1.012 241 T CB 2.744 71.668 68.868 0.094 0.000 1.184 241 T HN -0.094 nan 8.240 nan 0.000 0.522 242 R N 0.167 120.706 120.500 0.066 0.000 2.100 242 R HA 0.063 4.380 4.340 -0.038 0.000 0.220 242 R C 1.267 177.613 176.300 0.077 0.000 1.091 242 R CA 1.404 57.544 56.100 0.066 0.000 0.986 242 R CB -0.233 30.101 30.300 0.056 0.000 0.888 242 R HN 0.846 nan 8.270 nan 0.000 0.444 243 D N -0.359 120.090 120.400 0.082 0.000 2.325 243 D HA 0.072 4.689 4.640 -0.038 0.000 0.234 243 D C -0.439 175.914 176.300 0.089 0.000 1.122 243 D CA -0.109 53.941 54.000 0.083 0.000 0.850 243 D CB 0.077 40.929 40.800 0.087 0.000 0.921 243 D HN 0.133 nan 8.370 nan 0.000 0.513 244 A N 1.587 124.466 122.820 0.099 0.000 2.366 244 A HA 0.421 4.718 4.320 -0.038 0.000 0.272 244 A C -0.970 176.672 177.584 0.096 0.000 1.135 244 A CA -1.026 51.075 52.037 0.106 0.000 0.804 244 A CB 0.725 19.805 19.000 0.132 0.000 1.064 244 A HN 0.087 nan 8.150 nan 0.000 0.499 245 P HA -0.049 nan 4.420 nan 0.000 0.215 245 P C 0.383 177.730 177.300 0.077 0.000 1.157 245 P CA 0.521 63.665 63.100 0.072 0.000 0.859 245 P CB -0.010 31.727 31.700 0.062 0.000 0.786 246 L N 1.069 122.346 121.223 0.090 0.000 2.325 246 L HA 0.189 4.506 4.340 -0.038 0.000 0.284 246 L C 0.307 177.256 176.870 0.130 0.000 1.089 246 L CA -0.230 54.670 54.840 0.099 0.000 0.836 246 L CB -0.186 41.938 42.059 0.108 0.000 1.184 246 L HN -0.171 nan 8.230 nan 0.000 0.444 247 K N 3.806 124.275 120.400 0.115 0.000 2.118 247 K HA 0.098 4.395 4.320 -0.038 0.000 0.264 247 K C 0.665 177.374 176.600 0.182 0.000 1.000 247 K CA -0.455 55.922 56.287 0.150 0.000 0.929 247 K CB 0.988 33.553 32.500 0.109 0.000 1.021 247 K HN 0.498 nan 8.250 nan 0.000 0.463 248 F N 2.207 122.215 119.950 0.098 0.000 2.161 248 F HA -0.193 4.314 4.527 -0.033 0.000 0.300 248 F C 1.794 177.581 175.800 -0.022 0.000 1.089 248 F CA 1.847 59.895 58.000 0.081 0.000 1.282 248 F CB 0.076 39.175 39.000 0.165 0.000 1.010 248 F HN 0.651 nan 8.300 nan 0.000 0.485 249 E N 0.334 120.499 120.200 -0.059 0.000 2.077 249 E HA -0.231 4.096 4.350 -0.038 0.000 0.193 249 E C 2.214 178.684 176.600 -0.218 0.000 0.989 249 E CA 1.759 58.048 56.400 -0.186 0.000 0.800 249 E CB -0.353 29.324 29.700 -0.038 0.000 0.746 249 E HN 0.748 nan 8.360 nan 0.000 0.452 250 E N 0.075 120.202 120.200 -0.122 0.000 2.170 250 E HA -0.103 4.224 4.350 -0.038 0.000 0.191 250 E C 2.087 178.606 176.600 -0.134 0.000 0.981 250 E CA 0.611 56.951 56.400 -0.101 0.000 0.830 250 E CB -0.278 29.401 29.700 -0.035 0.000 0.775 250 E HN 0.260 nan 8.360 nan 0.000 0.470 251 I N 2.133 122.608 120.570 -0.159 0.000 2.179 251 I HA -0.267 3.880 4.170 -0.038 0.000 0.242 251 I C 2.753 178.643 176.117 -0.377 0.000 1.088 251 I CA 1.354 62.526 61.300 -0.213 0.000 1.357 251 I CB -0.319 37.580 38.000 -0.169 0.000 1.051 251 I HN 0.206 nan 8.210 nan 0.000 0.409 252 A N 0.773 123.250 122.820 -0.572 0.000 1.933 252 A HA -0.136 4.161 4.320 -0.038 0.000 0.218 252 A C 2.435 179.788 177.584 -0.386 0.000 1.175 252 A CA 1.872 53.517 52.037 -0.653 0.000 0.628 252 A CB -1.460 16.970 19.000 -0.951 0.000 0.814 252 A HN 0.472 nan 8.150 nan 0.000 0.444 253 G N -0.515 108.113 108.800 -0.286 0.000 2.446 253 G HA2 -0.157 3.780 3.960 -0.038 0.000 0.217 253 G HA3 -0.157 3.780 3.960 -0.038 0.000 0.217 253 G C 1.504 176.328 174.900 -0.126 0.000 1.168 253 G CA 1.352 46.346 45.100 -0.176 0.000 0.771 253 G HN 0.339 nan 8.290 nan 0.000 0.551 254 V N 0.897 120.744 119.914 -0.112 0.000 2.427 254 V HA -0.084 4.013 4.120 -0.038 0.000 0.248 254 V C 2.757 178.833 176.094 -0.030 0.000 1.051 254 V CA 1.288 63.561 62.300 -0.045 0.000 1.048 254 V CB -0.302 31.519 31.823 -0.004 0.000 0.666 254 V HN 0.380 nan 8.190 nan 0.000 0.456 255 I N 0.464 120.978 120.570 -0.094 0.000 2.179 255 I HA -0.264 3.883 4.170 -0.038 0.000 0.242 255 I C 2.239 178.329 176.117 -0.045 0.000 1.088 255 I CA 1.957 63.221 61.300 -0.061 0.000 1.357 255 I CB -0.522 37.372 38.000 -0.177 0.000 1.051 255 I HN 0.397 nan 8.210 nan 0.000 0.409 256 N N 0.523 119.160 118.700 -0.105 0.000 2.223 256 N HA -0.196 4.521 4.740 -0.038 0.000 0.185 256 N C 1.536 177.031 175.510 -0.024 0.000 1.016 256 N CA 1.115 54.117 53.050 -0.079 0.000 0.863 256 N CB -0.116 38.298 38.487 -0.122 0.000 0.983 256 N HN 0.294 nan 8.380 nan 0.000 0.429 257 N N 0.462 119.153 118.700 -0.015 0.000 2.207 257 N HA 0.039 4.756 4.740 -0.038 0.000 0.182 257 N C 1.599 177.145 175.510 0.060 0.000 1.020 257 N CA 0.838 53.894 53.050 0.010 0.000 0.858 257 N CB -0.049 38.438 38.487 0.001 0.000 0.991 257 N HN 0.171 nan 8.380 nan 0.000 0.427 258 A N -0.074 122.808 122.820 0.104 0.000 1.969 258 A HA -0.053 4.244 4.320 -0.038 0.000 0.218 258 A C 1.871 179.625 177.584 0.283 0.000 1.169 258 A CA 0.927 53.100 52.037 0.227 0.000 0.635 258 A CB -0.480 18.640 19.000 0.199 0.000 0.810 258 A HN 0.187 nan 8.150 nan 0.000 0.445 259 L N -0.428 120.904 121.223 0.181 0.000 2.072 259 L HA -0.069 4.248 4.340 -0.038 0.000 0.205 259 L C 2.368 179.333 176.870 0.159 0.000 1.079 259 L CA 2.221 57.179 54.840 0.197 0.000 0.752 259 L CB -0.836 41.276 42.059 0.087 0.000 0.906 259 L HN 0.518 nan 8.230 nan 0.000 0.436 260 E N -0.158 120.089 120.200 0.080 0.000 2.106 260 E HA -0.240 4.087 4.350 -0.038 0.000 0.192 260 E C 2.250 178.852 176.600 0.003 0.000 0.984 260 E CA 1.403 57.824 56.400 0.035 0.000 0.806 260 E CB -0.044 29.660 29.700 0.006 0.000 0.750 260 E HN 0.330 nan 8.360 nan 0.000 0.458 261 K N -1.626 118.767 120.400 -0.013 0.000 2.062 261 K HA -0.104 4.193 4.320 -0.038 0.000 0.205 261 K C 1.388 177.809 176.600 -0.299 0.000 1.051 261 K CA 1.490 57.673 56.287 -0.172 0.000 0.941 261 K CB -0.046 32.313 32.500 -0.235 0.000 0.719 261 K HN 0.267 nan 8.250 nan 0.000 0.440 262 H N -2.700 116.375 119.070 0.008 0.000 2.695 262 H HA 0.199 4.732 4.556 -0.038 0.000 0.267 262 H C -0.368 174.746 175.328 -0.358 0.000 0.973 262 H CA 0.228 56.202 56.048 -0.124 0.000 1.223 262 H CB 0.712 30.462 29.762 -0.020 0.000 1.442 262 H HN -0.039 nan 8.280 nan 0.000 0.478 263 F N 2.580 122.562 119.950 0.052 0.000 2.523 263 F HA 0.296 4.801 4.527 -0.037 0.000 0.322 263 F C -2.429 173.360 175.800 -0.019 0.000 1.361 263 F CA -2.539 55.443 58.000 -0.030 0.000 1.151 263 F CB 0.846 39.801 39.000 -0.074 0.000 1.391 263 F HN -0.064 nan 8.300 nan 0.000 0.566 264 P HA 0.123 nan 4.420 nan 0.000 0.272 264 P C -2.500 174.841 177.300 0.067 0.000 1.230 264 P CA -1.247 61.886 63.100 0.055 0.000 0.788 264 P CB 0.096 31.803 31.700 0.012 0.000 0.949 265 P HA 0.012 nan 4.420 nan 0.000 0.261 265 P C -0.416 176.919 177.300 0.059 0.000 1.165 265 P CA 1.189 64.323 63.100 0.055 0.000 0.759 265 P CB 0.087 31.810 31.700 0.038 0.000 0.772 266 D N 2.305 122.749 120.400 0.072 0.000 2.804 266 D HA 0.085 4.702 4.640 -0.038 0.000 0.209 266 D C 0.757 177.107 176.300 0.083 0.000 1.314 266 D CA -0.475 53.572 54.000 0.079 0.000 0.894 266 D CB 1.110 41.971 40.800 0.102 0.000 1.615 266 D HN 0.055 nan 8.370 nan 0.000 0.571 267 L N 2.445 123.708 121.223 0.067 0.000 2.265 267 L HA -0.106 4.211 4.340 -0.038 0.000 0.215 267 L C 1.881 178.790 176.870 0.065 0.000 1.117 267 L CA 0.826 55.702 54.840 0.059 0.000 0.782 267 L CB -0.120 41.965 42.059 0.043 0.000 0.914 267 L HN 0.185 nan 8.230 nan 0.000 0.441 268 K N 0.084 120.536 120.400 0.086 0.000 2.148 268 K HA -0.020 4.277 4.320 -0.038 0.000 0.204 268 K C 0.415 177.117 176.600 0.170 0.000 1.050 268 K CA 0.528 56.879 56.287 0.107 0.000 0.942 268 K CB -0.222 32.363 32.500 0.141 0.000 0.724 268 K HN -0.010 nan 8.250 nan 0.000 0.446 269 L N 0.877 122.213 121.223 0.187 0.000 2.292 269 L HA 0.249 4.566 4.340 -0.038 0.000 0.284 269 L C -0.851 176.125 176.870 0.176 0.000 1.065 269 L CA 0.385 55.363 54.840 0.231 0.000 0.806 269 L CB 1.347 43.530 42.059 0.206 0.000 1.175 269 L HN -0.035 nan 8.230 nan 0.000 0.431 270 T N 6.147 120.823 114.554 0.204 0.000 2.792 270 T HA 0.577 4.904 4.350 -0.038 0.000 0.280 270 T C -0.300 174.465 174.700 0.108 0.000 0.990 270 T CA -0.409 61.785 62.100 0.157 0.000 0.960 270 T CB 1.091 70.073 68.868 0.189 0.000 0.939 270 T HN 0.304 nan 8.240 nan 0.000 0.439 271 I N 3.113 123.726 120.570 0.071 0.000 2.392 271 I HA 0.648 4.795 4.170 -0.038 0.000 0.295 271 I C -0.100 176.069 176.117 0.085 0.000 0.985 271 I CA -0.875 60.436 61.300 0.019 0.000 1.221 271 I CB 1.345 39.335 38.000 -0.016 0.000 1.366 271 I HN 0.332 nan 8.210 nan 0.000 0.467 272 V N 3.986 123.939 119.914 0.066 0.000 3.049 272 V HA 0.869 4.966 4.120 -0.038 0.000 0.309 272 V C -0.443 175.733 176.094 0.137 0.000 1.148 272 V CA -0.463 61.916 62.300 0.130 0.000 0.990 272 V CB 2.427 34.253 31.823 0.005 0.000 1.039 272 V HN 0.997 nan 8.190 nan 0.000 0.430 273 A N 2.959 125.932 122.820 0.255 0.000 2.485 273 A HA 0.922 5.219 4.320 -0.038 0.000 0.292 273 A C -0.792 176.949 177.584 0.261 0.000 1.147 273 A CA -0.568 51.649 52.037 0.300 0.000 0.750 273 A CB 1.793 21.122 19.000 0.549 0.000 1.331 273 A HN 0.805 nan 8.150 nan 0.000 0.419 274 E N 1.264 121.635 120.200 0.286 0.000 3.786 274 E HA 0.240 4.567 4.350 -0.038 0.000 0.215 274 E C -2.666 174.105 176.600 0.285 0.000 1.188 274 E CA -1.558 54.971 56.400 0.215 0.000 1.248 274 E CB 0.938 30.708 29.700 0.116 0.000 1.260 274 E HN 0.450 nan 8.360 nan 0.000 0.426 275 P HA 0.078 nan 4.420 nan 0.000 0.276 275 P C 0.185 177.691 177.300 0.343 0.000 1.230 275 P CA 0.145 63.499 63.100 0.423 0.000 0.776 275 P CB 2.134 33.957 31.700 0.205 0.000 0.888 276 G N 3.966 112.972 108.800 0.342 0.000 2.531 276 G HA2 -0.030 3.907 3.960 -0.038 0.000 0.210 276 G HA3 -0.030 3.907 3.960 -0.038 0.000 0.210 276 G C 1.296 176.389 174.900 0.321 0.000 1.547 276 G CA -0.127 45.085 45.100 0.186 0.000 0.740 276 G HN 0.515 nan 8.290 nan 0.000 0.611 277 R N -0.655 120.023 120.500 0.297 0.000 2.152 277 R HA -0.079 4.238 4.340 -0.038 0.000 0.232 277 R C 2.152 178.595 176.300 0.239 0.000 1.117 277 R CA 1.610 57.859 56.100 0.247 0.000 0.981 277 R CB -0.993 29.494 30.300 0.313 0.000 0.870 277 R HN 0.391 nan 8.270 nan 0.000 0.451 278 Y N 1.196 121.609 120.300 0.188 0.000 2.102 278 Y HA -0.339 4.190 4.550 -0.036 0.000 0.280 278 Y C 1.555 177.403 175.900 -0.087 0.000 1.178 278 Y CA 1.934 60.046 58.100 0.020 0.000 1.146 278 Y CB -0.475 37.957 38.460 -0.047 0.000 0.968 278 Y HN 0.047 nan 8.280 nan 0.000 0.504 279 Y N -1.358 118.986 120.300 0.074 0.000 2.395 279 Y HA -0.070 4.453 4.550 -0.045 0.000 0.293 279 Y C 2.301 178.148 175.900 -0.088 0.000 1.123 279 Y CA 1.443 59.499 58.100 -0.073 0.000 1.227 279 Y CB 0.180 38.620 38.460 -0.034 0.000 1.012 279 Y HN 0.160 nan 8.280 nan 0.000 0.552 280 V N -4.996 115.004 119.914 0.143 0.000 3.612 280 V HA 0.418 4.515 4.120 -0.038 0.000 0.268 280 V C 1.884 178.039 176.094 0.102 0.000 1.365 280 V CA 0.486 62.859 62.300 0.122 0.000 1.044 280 V CB -0.376 31.497 31.823 0.084 0.000 0.820 280 V HN 0.099 nan 8.190 nan 0.000 0.444 281 A N 2.596 125.454 122.820 0.064 0.000 1.851 281 A HA -0.188 4.109 4.320 -0.038 0.000 0.216 281 A C 2.461 180.108 177.584 0.104 0.000 1.195 281 A CA 2.912 54.993 52.037 0.074 0.000 0.622 281 A CB -1.106 17.946 19.000 0.088 0.000 0.831 281 A HN 1.055 nan 8.150 nan 0.000 0.444 282 S N -0.483 115.258 115.700 0.069 0.000 2.522 282 S HA 0.309 4.756 4.470 -0.038 0.000 0.227 282 S C 1.784 176.446 174.600 0.104 0.000 0.986 282 S CA 0.919 59.165 58.200 0.076 0.000 0.929 282 S CB -0.287 62.926 63.200 0.022 0.000 0.769 282 S HN 0.849 nan 8.310 nan 0.000 0.529 283 A N 0.513 123.421 122.820 0.147 0.000 2.014 283 A HA 0.346 4.643 4.320 -0.038 0.000 0.218 283 A C 0.372 178.023 177.584 0.112 0.000 1.163 283 A CA 0.397 52.513 52.037 0.132 0.000 0.652 283 A CB -0.407 18.692 19.000 0.165 0.000 0.808 283 A HN 0.502 nan 8.150 nan 0.000 0.449 284 F N 0.375 120.344 119.950 0.033 0.000 2.443 284 F HA 0.476 5.018 4.527 0.024 0.000 0.335 284 F C 0.490 176.397 175.800 0.179 0.000 1.104 284 F CA -0.489 57.559 58.000 0.081 0.000 1.013 284 F CB 1.915 40.878 39.000 -0.060 0.000 1.136 284 F HN -0.020 nan 8.300 nan 0.000 0.470 285 T N 1.828 116.595 114.554 0.356 0.000 2.824 285 T HA 0.622 4.949 4.350 -0.038 0.000 0.282 285 T C -1.113 173.730 174.700 0.238 0.000 0.993 285 T CA -0.774 61.484 62.100 0.264 0.000 0.967 285 T CB 1.585 70.527 68.868 0.124 0.000 0.960 285 T HN 0.409 nan 8.240 nan 0.000 0.441 286 L N 3.094 124.378 121.223 0.102 0.000 2.275 286 L HA 0.770 5.087 4.340 -0.038 0.000 0.288 286 L C -0.098 176.673 176.870 -0.165 0.000 1.046 286 L CA -0.748 53.924 54.840 -0.280 0.000 0.805 286 L CB 0.474 42.277 42.059 -0.426 0.000 1.193 286 L HN 0.988 nan 8.230 nan 0.000 0.426 287 A N 5.283 127.843 122.820 -0.433 0.000 2.276 287 A HA 0.704 5.001 4.320 -0.038 0.000 0.316 287 A C -1.003 176.531 177.584 -0.082 0.000 1.229 287 A CA -0.481 51.324 52.037 -0.386 0.000 0.851 287 A CB 1.149 19.449 19.000 -1.168 0.000 1.165 287 A HN 0.616 nan 8.150 nan 0.000 0.513 288 V N 3.497 123.548 119.914 0.229 0.000 2.735 288 V HA 0.399 4.496 4.120 -0.038 0.000 0.310 288 V C -0.666 175.507 176.094 0.133 0.000 1.061 288 V CA -0.927 61.506 62.300 0.221 0.000 0.913 288 V CB 2.059 34.029 31.823 0.245 0.000 1.005 288 V HN 0.979 nan 8.190 nan 0.000 0.428 289 N N 3.623 122.213 118.700 -0.184 0.000 2.479 289 N HA 0.320 5.037 4.740 -0.038 0.000 0.285 289 N C -0.727 174.616 175.510 -0.278 0.000 1.075 289 N CA -0.230 52.464 53.050 -0.593 0.000 0.967 289 N CB 1.915 39.871 38.487 -0.884 0.000 1.137 289 N HN 0.397 nan 8.380 nan 0.000 0.472 290 V N 6.033 125.782 119.914 -0.275 0.000 2.397 290 V HA 0.068 4.165 4.120 -0.038 0.000 0.262 290 V C 1.712 177.748 176.094 -0.096 0.000 1.047 290 V CA -0.089 62.139 62.300 -0.121 0.000 1.003 290 V CB -0.272 31.465 31.823 -0.143 0.000 1.037 290 V HN 0.637 nan 8.190 nan 0.000 0.480 291 I N 2.177 122.733 120.570 -0.024 0.000 3.427 291 I HA 0.633 4.780 4.170 -0.038 0.000 0.288 291 I C 0.814 176.942 176.117 0.019 0.000 1.249 291 I CA 0.488 61.772 61.300 -0.027 0.000 1.421 291 I CB 0.209 38.188 38.000 -0.034 0.000 1.086 291 I HN 0.529 nan 8.210 nan 0.000 0.448 292 A N 1.275 124.161 122.820 0.109 0.000 2.599 292 A HA 0.786 5.083 4.320 -0.038 0.000 0.290 292 A C -1.243 176.514 177.584 0.288 0.000 1.101 292 A CA -0.697 51.416 52.037 0.126 0.000 0.674 292 A CB 1.527 20.513 19.000 -0.024 0.000 1.277 292 A HN 0.246 nan 8.150 nan 0.000 0.419 293 K N 0.069 120.610 120.400 0.235 0.000 2.570 293 K HA 0.683 4.980 4.320 -0.038 0.000 0.256 293 K C -1.715 174.984 176.600 0.165 0.000 0.939 293 K CA -0.056 56.377 56.287 0.243 0.000 0.833 293 K CB 1.930 34.578 32.500 0.247 0.000 1.318 293 K HN 1.851 nan 8.250 nan 0.000 0.433 294 A N 3.404 126.304 122.820 0.133 0.000 2.381 294 A HA 0.595 4.892 4.320 -0.038 0.000 0.299 294 A C -1.043 176.548 177.584 0.011 0.000 1.049 294 A CA -0.707 51.371 52.037 0.068 0.000 0.715 294 A CB 1.521 20.556 19.000 0.058 0.000 1.222 294 A HN 0.363 nan 8.150 nan 0.000 0.428 295 V N 1.786 121.680 119.914 -0.034 0.000 2.785 295 V HA 0.744 4.841 4.120 -0.038 0.000 0.300 295 V C 0.540 176.486 176.094 -0.246 0.000 1.062 295 V CA -0.099 62.060 62.300 -0.235 0.000 1.029 295 V CB 1.368 33.075 31.823 -0.194 0.000 1.024 295 V HN 1.025 nan 8.190 nan 0.000 0.477 313 S N 1.640 117.125 115.700 -0.358 0.000 2.671 313 S HA 0.880 5.327 4.470 -0.038 0.000 0.277 313 S C -1.594 172.588 174.600 -0.696 0.000 1.165 313 S CA -0.584 57.422 58.200 -0.323 0.000 0.822 313 S CB 0.973 64.062 63.200 -0.185 0.000 1.150 313 S HN 0.439 nan 8.310 nan 0.000 0.479 314 F N 0.526 120.340 119.950 -0.227 0.000 2.613 314 F HA 0.611 5.114 4.527 -0.039 0.000 0.310 314 F C -0.649 174.872 175.800 -0.464 0.000 1.085 314 F CA -0.743 57.007 58.000 -0.416 0.000 0.945 314 F CB 1.879 40.501 39.000 -0.630 0.000 1.298 314 F HN 0.250 nan 8.300 nan 0.000 0.455 315 M N 2.960 122.385 119.600 -0.292 0.000 2.053 315 M HA 0.378 4.835 4.480 -0.038 0.000 0.297 315 M C -1.759 174.337 176.300 -0.340 0.000 0.921 315 M CA -0.333 54.810 55.300 -0.262 0.000 0.918 315 M CB 1.297 33.762 32.600 -0.225 0.000 1.499 315 M HN 0.449 nan 8.290 nan 0.000 0.422 316 Y N 1.998 122.321 120.300 0.038 0.000 2.320 316 Y HA 0.450 4.976 4.550 -0.040 0.000 0.334 316 Y C -0.743 175.118 175.900 -0.065 0.000 1.055 316 Y CA -0.722 57.398 58.100 0.034 0.000 1.143 316 Y CB 0.900 39.385 38.460 0.042 0.000 1.193 316 Y HN 0.424 nan 8.280 nan 0.000 0.477 317 Y N 2.231 122.667 120.300 0.228 0.000 2.342 317 Y HA 0.543 5.069 4.550 -0.039 0.000 0.334 317 Y C 0.138 176.092 175.900 0.090 0.000 1.067 317 Y CA -1.175 57.018 58.100 0.156 0.000 1.128 317 Y CB 1.362 39.862 38.460 0.066 0.000 1.200 317 Y HN 0.401 nan 8.280 nan 0.000 0.464 318 V N -0.477 119.545 119.914 0.180 0.000 3.126 318 V HA 0.545 4.642 4.120 -0.038 0.000 0.314 318 V C -0.130 175.967 176.094 0.006 0.000 1.138 318 V CA -1.162 61.181 62.300 0.071 0.000 1.034 318 V CB 2.199 34.065 31.823 0.071 0.000 1.075 318 V HN 0.792 nan 8.190 nan 0.000 0.442 319 N N -0.159 118.516 118.700 -0.042 0.000 2.322 319 N HA 0.245 4.962 4.740 -0.038 0.000 0.216 319 N C -0.500 174.956 175.510 -0.090 0.000 1.144 319 N CA -0.004 52.968 53.050 -0.128 0.000 0.830 319 N CB -0.121 38.301 38.487 -0.108 0.000 1.034 319 N HN 0.811 nan 8.380 nan 0.000 0.484 320 D N -1.489 118.922 120.400 0.018 0.000 2.756 320 D HA 0.721 5.338 4.640 -0.038 0.000 0.226 320 D C -0.508 175.935 176.300 0.239 0.000 1.186 320 D CA -0.417 53.656 54.000 0.123 0.000 0.845 320 D CB 2.224 43.109 40.800 0.143 0.000 1.610 320 D HN 0.199 nan 8.370 nan 0.000 0.465 321 G N -0.398 108.594 108.800 0.319 0.000 2.846 321 G HA2 0.331 4.268 3.960 -0.038 0.000 0.299 321 G HA3 0.331 4.268 3.960 -0.038 0.000 0.299 321 G C 0.746 175.854 174.900 0.347 0.000 1.242 321 G CA 0.012 45.291 45.100 0.299 0.000 0.800 321 G HN 0.567 nan 8.290 nan 0.000 0.538 322 V N -2.065 117.970 119.914 0.202 0.000 2.913 322 V HA 0.010 4.107 4.120 -0.038 0.000 0.260 322 V C 1.865 177.965 176.094 0.010 0.000 1.098 322 V CA 1.653 63.998 62.300 0.076 0.000 1.121 322 V CB -1.146 30.616 31.823 -0.102 0.000 0.714 322 V HN 0.554 nan 8.190 nan 0.000 0.487 323 Y N 1.702 122.107 120.300 0.174 0.000 2.475 323 Y HA 0.441 4.968 4.550 -0.038 0.000 0.289 323 Y C 2.242 178.262 175.900 0.200 0.000 1.121 323 Y CA 0.834 59.044 58.100 0.183 0.000 1.257 323 Y CB -0.116 38.508 38.460 0.274 0.000 1.026 323 Y HN 0.419 nan 8.280 nan 0.000 0.555 324 G N -1.269 107.729 108.800 0.331 0.000 3.365 324 G HA2 0.029 3.966 3.960 -0.038 0.000 0.185 324 G HA3 0.029 3.966 3.960 -0.038 0.000 0.185 324 G C 1.312 176.289 174.900 0.130 0.000 1.565 324 G CA 0.281 45.517 45.100 0.227 0.000 0.984 324 G HN 0.090 nan 8.290 nan 0.000 0.604 325 S N 0.262 115.977 115.700 0.025 0.000 2.419 325 S HA -0.026 4.421 4.470 -0.038 0.000 0.233 325 S C 1.600 176.033 174.600 -0.278 0.000 1.016 325 S CA 1.008 59.127 58.200 -0.135 0.000 0.974 325 S CB -0.312 62.712 63.200 -0.294 0.000 0.786 325 S HN 0.339 nan 8.310 nan 0.000 0.492 326 F N 2.631 122.582 119.950 0.001 0.000 2.731 326 F HA 0.143 4.754 4.527 0.140 0.000 0.304 326 F C 1.664 177.462 175.800 -0.003 0.000 1.133 326 F CA -0.307 57.667 58.000 -0.043 0.000 1.380 326 F CB -0.992 37.928 39.000 -0.133 0.000 1.079 326 F HN 0.275 nan 8.300 nan 0.000 0.550 327 N N 0.365 119.161 118.700 0.160 0.000 2.272 327 N HA -0.257 4.460 4.740 -0.038 0.000 0.185 327 N C 1.810 177.458 175.510 0.230 0.000 1.014 327 N CA 1.453 54.618 53.050 0.192 0.000 0.870 327 N CB -1.039 37.596 38.487 0.247 0.000 0.975 327 N HN 0.413 nan 8.380 nan 0.000 0.433 328 C N -0.649 118.755 119.300 0.174 0.000 2.401 328 C HA 0.029 4.466 4.460 -0.038 0.000 0.286 328 C C 2.355 177.423 174.990 0.131 0.000 1.332 328 C CA -0.125 58.995 59.018 0.171 0.000 1.795 328 C CB -1.686 26.143 27.740 0.148 0.000 1.922 328 C HN 0.520 nan 8.230 nan 0.000 0.520 329 I N 0.393 121.023 120.570 0.100 0.000 2.179 329 I HA -0.153 3.994 4.170 -0.038 0.000 0.242 329 I C 2.575 178.651 176.117 -0.068 0.000 1.088 329 I CA 1.499 62.816 61.300 0.027 0.000 1.357 329 I CB -0.322 37.680 38.000 0.003 0.000 1.051 329 I HN 0.261 nan 8.210 nan 0.000 0.409 330 L N -1.042 120.114 121.223 -0.111 0.000 2.162 330 L HA -0.087 4.230 4.340 -0.038 0.000 0.205 330 L C 2.051 178.730 176.870 -0.318 0.000 1.086 330 L CA 1.721 56.396 54.840 -0.275 0.000 0.778 330 L CB -0.744 41.073 42.059 -0.402 0.000 0.928 330 L HN 0.157 nan 8.230 nan 0.000 0.446 331 Y N -1.963 118.284 120.300 -0.089 0.000 2.503 331 Y HA 0.020 4.538 4.550 -0.052 0.000 0.277 331 Y C 1.487 177.382 175.900 -0.008 0.000 1.102 331 Y CA 0.561 58.626 58.100 -0.058 0.000 1.261 331 Y CB 0.402 38.845 38.460 -0.028 0.000 1.096 331 Y HN 0.110 nan 8.280 nan 0.000 0.546 332 D N -1.900 118.605 120.400 0.176 0.000 2.563 332 D HA 0.097 4.714 4.640 -0.038 0.000 0.237 332 D C -0.636 175.851 176.300 0.312 0.000 1.282 332 D CA 0.034 54.155 54.000 0.202 0.000 0.816 332 D CB -0.248 40.608 40.800 0.093 0.000 1.066 332 D HN 0.150 nan 8.370 nan 0.000 0.501 333 H N -1.252 117.826 119.070 0.014 0.000 2.820 333 H HA -0.182 4.347 4.556 -0.045 0.000 0.295 333 H C 0.074 175.424 175.328 0.036 0.000 1.187 333 H CA 0.548 56.604 56.048 0.012 0.000 1.144 333 H CB -2.184 27.582 29.762 0.006 0.000 1.354 333 H HN 0.243 nan 8.280 nan 0.000 0.395 334 A N 0.692 123.594 122.820 0.137 0.000 2.401 334 A HA 0.567 4.864 4.320 -0.038 0.000 0.259 334 A C 0.630 178.277 177.584 0.106 0.000 1.103 334 A CA 0.006 52.123 52.037 0.133 0.000 0.789 334 A CB 0.503 19.589 19.000 0.143 0.000 1.035 334 A HN 0.736 nan 8.150 nan 0.000 0.491 335 V N 2.237 122.219 119.914 0.113 0.000 2.417 335 V HA 0.779 4.876 4.120 -0.038 0.000 0.291 335 V C -0.079 176.092 176.094 0.129 0.000 1.024 335 V CA -0.500 61.860 62.300 0.101 0.000 0.861 335 V CB 0.661 32.541 31.823 0.094 0.000 0.985 335 V HN 1.304 nan 8.190 nan 0.000 0.436 336 V N 2.967 122.963 119.914 0.136 0.000 2.919 336 V HA 0.773 4.870 4.120 -0.038 0.000 0.316 336 V C -0.308 175.875 176.094 0.150 0.000 1.077 336 V CA -1.026 61.402 62.300 0.215 0.000 0.977 336 V CB 2.062 34.084 31.823 0.331 0.000 1.039 336 V HN 0.997 nan 8.190 nan 0.000 0.441 337 R N 2.835 123.405 120.500 0.117 0.000 2.409 337 R HA 0.519 4.836 4.340 -0.038 0.000 0.313 337 R C -2.943 173.094 176.300 -0.438 0.000 0.953 337 R CA -1.670 54.280 56.100 -0.249 0.000 0.849 337 R CB 2.318 32.522 30.300 -0.161 0.000 1.171 337 R HN 0.612 nan 8.270 nan 0.000 0.458 338 P HA 0.288 nan 4.420 nan 0.000 0.278 338 P C -0.841 176.094 177.300 -0.608 0.000 1.238 338 P CA -0.517 61.967 63.100 -1.027 0.000 0.794 338 P CB 1.105 32.432 31.700 -0.621 0.000 0.955 339 L N 4.752 125.660 121.223 -0.525 0.000 2.491 339 L HA 0.404 4.721 4.340 -0.038 0.000 0.267 339 L C -2.469 174.291 176.870 -0.184 0.000 0.971 339 L CA -1.901 52.791 54.840 -0.245 0.000 0.857 339 L CB 2.255 44.205 42.059 -0.181 0.000 1.226 339 L HN 0.192 nan 8.230 nan 0.000 0.408 340 P HA -0.019 nan 4.420 nan 0.000 0.265 340 P C -0.087 177.193 177.300 -0.034 0.000 1.193 340 P CA -0.049 63.010 63.100 -0.068 0.000 0.765 340 P CB 0.715 32.389 31.700 -0.043 0.000 0.823 341 Q N 3.561 123.364 119.800 0.005 0.000 2.187 341 Q HA -0.079 4.238 4.340 -0.038 0.000 0.199 341 Q C 0.778 176.789 176.000 0.019 0.000 0.957 341 Q CA 0.756 56.569 55.803 0.016 0.000 0.857 341 Q CB 0.134 28.907 28.738 0.057 0.000 0.929 341 Q HN 0.382 nan 8.270 nan 0.000 0.453 342 R N 1.397 121.915 120.500 0.030 0.000 2.694 342 R HA 0.024 4.341 4.340 -0.038 0.000 0.268 342 R C -0.708 175.599 176.300 0.012 0.000 1.061 342 R CA -0.052 56.063 56.100 0.025 0.000 1.133 342 R CB 0.492 30.808 30.300 0.026 0.000 1.020 342 R HN 0.024 nan 8.270 nan 0.000 0.475 343 E N 4.102 124.309 120.200 0.012 0.000 2.415 343 E HA 0.047 4.374 4.350 -0.038 0.000 0.263 343 E C -1.678 174.929 176.600 0.011 0.000 0.995 343 E CA -1.033 55.372 56.400 0.009 0.000 0.915 343 E CB 0.420 30.125 29.700 0.009 0.000 0.951 343 E HN 0.501 nan 8.360 nan 0.000 0.449 350 L N 3.929 124.993 121.223 -0.265 0.000 2.386 350 L HA 0.574 4.891 4.340 -0.038 0.000 0.271 350 L C -1.121 175.653 176.870 -0.161 0.000 0.993 350 L CA -0.637 54.142 54.840 -0.102 0.000 0.819 350 L CB 1.132 43.256 42.059 0.108 0.000 1.294 350 L HN 0.552 nan 8.230 nan 0.000 0.414 351 Y N 2.139 122.594 120.300 0.258 0.000 2.549 351 Y HA 0.621 5.147 4.550 -0.040 0.000 0.339 351 Y C -2.084 173.700 175.900 -0.195 0.000 1.053 351 Y CA -2.783 55.406 58.100 0.149 0.000 1.105 351 Y CB 1.022 39.639 38.460 0.261 0.000 1.258 351 Y HN 0.409 nan 8.280 nan 0.000 0.478 352 P HA 0.165 nan 4.420 nan 0.000 0.271 352 P C -0.826 176.388 177.300 -0.144 0.000 1.226 352 P CA 0.136 62.877 63.100 -0.599 0.000 0.765 352 P CB 1.162 32.583 31.700 -0.465 0.000 0.835 353 S N 1.554 117.215 115.700 -0.065 0.000 2.661 353 S HA 0.700 5.147 4.470 -0.038 0.000 0.285 353 S C -0.529 174.112 174.600 0.068 0.000 1.138 353 S CA -0.575 57.667 58.200 0.071 0.000 0.855 353 S CB 1.698 65.056 63.200 0.263 0.000 1.136 353 S HN 0.583 nan 8.310 nan 0.000 0.484 354 S N 0.002 115.749 115.700 0.077 0.000 2.548 354 S HA 0.820 5.267 4.470 -0.038 0.000 0.286 354 S C -1.124 173.534 174.600 0.096 0.000 1.098 354 S CA -0.727 57.505 58.200 0.053 0.000 0.930 354 S CB 1.253 64.539 63.200 0.143 0.000 1.070 354 S HN 0.458 nan 8.310 nan 0.000 0.480 355 V N 1.779 121.650 119.914 -0.072 0.000 2.555 355 V HA 0.640 4.737 4.120 -0.038 0.000 0.302 355 V C -1.264 174.652 176.094 -0.296 0.000 1.038 355 V CA -0.510 61.778 62.300 -0.020 0.000 0.887 355 V CB 0.972 32.810 31.823 0.026 0.000 0.991 355 V HN 0.977 nan 8.190 nan 0.000 0.434 356 W N 1.447 122.611 121.300 -0.227 0.000 2.950 356 W HA 0.751 5.391 4.660 -0.033 0.000 0.340 356 W C 0.550 177.014 176.519 -0.093 0.000 1.139 356 W CA -0.532 56.691 57.345 -0.203 0.000 1.188 356 W CB 1.736 30.994 29.460 -0.336 0.000 1.426 356 W HN 0.813 nan 8.180 nan 0.000 0.531 357 G N 1.559 110.470 108.800 0.185 0.000 2.588 357 G HA2 0.387 4.324 3.960 -0.038 0.000 0.281 357 G HA3 0.387 4.324 3.960 -0.038 0.000 0.281 357 G C -1.780 173.250 174.900 0.216 0.000 1.236 357 G CA -1.007 44.181 45.100 0.148 0.000 0.969 357 G HN 0.312 nan 8.290 nan 0.000 0.504 358 P HA 0.051 nan 4.420 nan 0.000 0.245 358 P C 0.978 178.363 177.300 0.142 0.000 1.212 358 P CA 0.450 63.490 63.100 -0.098 0.000 0.774 358 P CB -0.128 31.104 31.700 -0.781 0.000 0.999 359 T N -2.053 112.690 114.554 0.314 0.000 2.849 359 T HA 0.118 4.445 4.350 -0.038 0.000 0.284 359 T C 1.713 176.597 174.700 0.306 0.000 1.004 359 T CA -0.304 62.044 62.100 0.413 0.000 1.021 359 T CB 0.324 69.491 68.868 0.497 0.000 1.013 359 T HN 0.213 nan 8.240 nan 0.000 0.527 360 C N -0.346 119.097 119.300 0.238 0.000 2.403 360 C HA -0.030 4.407 4.460 -0.038 0.000 0.282 360 C C 1.068 176.182 174.990 0.207 0.000 1.297 360 C CA -0.017 59.103 59.018 0.170 0.000 1.785 360 C CB -1.391 26.423 27.740 0.123 0.000 1.963 360 C HN 0.863 nan 8.230 nan 0.000 0.507 361 D N 0.560 121.140 120.400 0.300 0.000 2.344 361 D HA 0.323 4.940 4.640 -0.038 0.000 0.244 361 D C 1.177 177.656 176.300 0.298 0.000 1.134 361 D CA 0.866 55.042 54.000 0.294 0.000 0.930 361 D CB 1.425 42.451 40.800 0.377 0.000 1.175 361 D HN 0.401 nan 8.370 nan 0.000 0.437 362 G N 1.695 110.649 108.800 0.257 0.000 2.939 362 G HA2 -0.085 3.852 3.960 -0.038 0.000 0.210 362 G HA3 -0.085 3.852 3.960 -0.038 0.000 0.210 362 G C 1.292 176.386 174.900 0.322 0.000 1.160 362 G CA -0.067 45.236 45.100 0.337 0.000 0.770 362 G HN 0.401 nan 8.290 nan 0.000 0.543 363 L N 0.156 121.499 121.223 0.200 0.000 2.395 363 L HA 0.247 4.564 4.340 -0.038 0.000 0.218 363 L C 0.761 177.662 176.870 0.052 0.000 1.130 363 L CA 0.598 55.486 54.840 0.079 0.000 0.826 363 L CB 0.233 42.301 42.059 0.016 0.000 0.941 363 L HN -0.031 nan 8.230 nan 0.000 0.451 364 D N 1.154 121.668 120.400 0.191 0.000 2.671 364 D HA 0.019 4.636 4.640 -0.038 0.000 0.228 364 D C -0.437 175.910 176.300 0.078 0.000 1.102 364 D CA 0.193 54.301 54.000 0.179 0.000 1.044 364 D CB -0.189 40.823 40.800 0.354 0.000 1.113 364 D HN 0.376 nan 8.370 nan 0.000 0.480 365 Q N 1.806 121.477 119.800 -0.214 0.000 2.330 365 Q HA 0.385 4.702 4.340 -0.038 0.000 0.269 365 Q C 0.359 176.074 176.000 -0.474 0.000 1.022 365 Q CA -0.614 54.821 55.803 -0.613 0.000 0.796 365 Q CB 1.542 29.721 28.738 -0.932 0.000 1.271 365 Q HN 0.268 nan 8.270 nan 0.000 0.450 366 I N 2.337 122.587 120.570 -0.534 0.000 2.927 366 I HA 0.126 4.273 4.170 -0.038 0.000 0.268 366 I C -0.260 175.642 176.117 -0.358 0.000 1.153 366 I CA 0.302 61.285 61.300 -0.528 0.000 1.459 366 I CB 1.184 38.667 38.000 -0.861 0.000 1.149 366 I HN 0.287 nan 8.210 nan 0.000 0.443 367 V N 0.233 119.946 119.914 -0.336 0.000 2.733 367 V HA 0.202 4.299 4.120 -0.038 0.000 0.306 367 V C 0.472 176.430 176.094 -0.227 0.000 1.084 367 V CA -0.678 61.513 62.300 -0.182 0.000 0.905 367 V CB 2.148 33.937 31.823 -0.057 0.000 1.010 367 V HN 0.108 nan 8.190 nan 0.000 0.424 368 E N 3.027 123.141 120.200 -0.143 0.000 2.102 368 E HA 0.203 4.530 4.350 -0.038 0.000 0.190 368 E C 0.721 177.294 176.600 -0.045 0.000 0.971 368 E CA 0.457 56.773 56.400 -0.140 0.000 0.821 368 E CB 0.436 30.073 29.700 -0.104 0.000 0.777 368 E HN 0.558 nan 8.360 nan 0.000 0.460 369 R N 0.127 120.639 120.500 0.021 0.000 3.101 369 R HA 0.147 4.464 4.340 -0.038 0.000 0.242 369 R C -2.047 174.311 176.300 0.096 0.000 1.831 369 R CA -0.285 55.831 56.100 0.026 0.000 1.321 369 R CB 0.726 31.031 30.300 0.008 0.000 1.512 369 R HN 0.083 nan 8.270 nan 0.000 0.568 370 Y N 0.688 120.980 120.300 -0.012 0.000 2.393 370 Y HA 0.345 4.878 4.550 -0.027 0.000 0.341 370 Y C -0.803 175.117 175.900 0.032 0.000 0.988 370 Y CA -0.799 57.339 58.100 0.062 0.000 1.078 370 Y CB 1.175 39.676 38.460 0.070 0.000 1.203 370 Y HN 0.275 nan 8.280 nan 0.000 0.453 371 Y N 6.253 126.458 120.300 -0.158 0.000 2.539 371 Y HA 0.355 4.881 4.550 -0.039 0.000 0.352 371 Y C -0.489 175.485 175.900 0.123 0.000 1.004 371 Y CA 0.276 58.368 58.100 -0.013 0.000 1.278 371 Y CB 0.067 38.454 38.460 -0.122 0.000 1.136 371 Y HN 0.389 nan 8.280 nan 0.000 0.528 372 L N 6.260 127.663 121.223 0.300 0.000 2.301 372 L HA 0.609 4.926 4.340 -0.038 0.000 0.264 372 L C -2.106 174.924 176.870 0.267 0.000 1.016 372 L CA -2.412 52.590 54.840 0.270 0.000 0.821 372 L CB 2.208 44.418 42.059 0.251 0.000 1.346 372 L HN 0.343 nan 8.230 nan 0.000 0.429 373 P HA 0.004 nan 4.420 nan 0.000 0.275 373 P C -1.065 176.374 177.300 0.232 0.000 1.270 373 P CA -0.397 62.825 63.100 0.204 0.000 0.791 373 P CB 0.411 32.169 31.700 0.096 0.000 1.089 374 E N 0.279 120.611 120.200 0.221 0.000 2.299 374 E HA 0.165 4.492 4.350 -0.038 0.000 0.272 374 E C -0.429 176.072 176.600 -0.166 0.000 1.043 374 E CA -0.232 56.095 56.400 -0.121 0.000 0.895 374 E CB 0.108 29.734 29.700 -0.123 0.000 1.011 374 E HN 0.172 nan 8.360 nan 0.000 0.432 375 M N 2.925 122.351 119.600 -0.290 0.000 2.598 375 M HA 0.318 4.775 4.480 -0.038 0.000 0.317 375 M C -0.243 175.937 176.300 -0.200 0.000 1.201 375 M CA -0.833 54.266 55.300 -0.336 0.000 0.971 375 M CB 1.638 33.785 32.600 -0.755 0.000 1.657 375 M HN 0.512 nan 8.290 nan 0.000 0.470 376 Q N 0.834 120.546 119.800 -0.146 0.000 2.297 376 Q HA 0.564 4.881 4.340 -0.038 0.000 0.269 376 Q C -0.789 175.160 176.000 -0.083 0.000 1.051 376 Q CA -0.893 54.864 55.803 -0.077 0.000 0.869 376 Q CB 1.960 30.668 28.738 -0.051 0.000 1.346 376 Q HN 0.478 nan 8.270 nan 0.000 0.457 377 V N 1.075 120.962 119.914 -0.044 0.000 2.529 377 V HA 0.314 4.411 4.120 -0.038 0.000 0.292 377 V C 1.289 177.324 176.094 -0.099 0.000 1.028 377 V CA 1.726 63.991 62.300 -0.059 0.000 1.074 377 V CB 0.248 32.056 31.823 -0.024 0.000 0.958 377 V HN 1.087 nan 8.190 nan 0.000 0.481 378 G N 3.764 112.457 108.800 -0.178 0.000 2.238 378 G HA2 -0.162 3.775 3.960 -0.038 0.000 0.217 378 G HA3 -0.162 3.775 3.960 -0.038 0.000 0.217 378 G C 0.072 174.782 174.900 -0.317 0.000 0.996 378 G CA -0.049 44.914 45.100 -0.228 0.000 0.632 378 G HN 0.623 nan 8.290 nan 0.000 0.503 379 E N -0.601 119.453 120.200 -0.243 0.000 2.349 379 E HA 0.470 4.797 4.350 -0.038 0.000 0.265 379 E C -0.515 175.919 176.600 -0.277 0.000 1.064 379 E CA -0.615 55.687 56.400 -0.164 0.000 0.886 379 E CB 0.706 30.355 29.700 -0.085 0.000 1.036 379 E HN 0.333 nan 8.360 nan 0.000 0.413 380 W N 1.772 123.040 121.300 -0.053 0.000 2.496 380 W HA 0.426 5.056 4.660 -0.049 0.000 0.327 380 W C -0.485 175.976 176.519 -0.097 0.000 1.086 380 W CA -0.455 56.856 57.345 -0.056 0.000 1.222 380 W CB 0.712 30.150 29.460 -0.037 0.000 1.304 380 W HN 0.186 nan 8.180 nan 0.000 0.547 381 L N 3.764 125.067 121.223 0.133 0.000 2.322 381 L HA 0.522 4.839 4.340 -0.038 0.000 0.281 381 L C -0.419 176.443 176.870 -0.013 0.000 1.014 381 L CA -0.864 53.964 54.840 -0.020 0.000 0.815 381 L CB 0.973 42.997 42.059 -0.059 0.000 1.247 381 L HN 0.245 nan 8.230 nan 0.000 0.421 382 L N 3.182 124.297 121.223 -0.181 0.000 2.334 382 L HA 0.526 4.843 4.340 -0.038 0.000 0.275 382 L C -1.181 175.474 176.870 -0.359 0.000 1.036 382 L CA -0.435 54.325 54.840 -0.133 0.000 0.807 382 L CB 1.429 43.430 42.059 -0.097 0.000 1.231 382 L HN 0.372 nan 8.230 nan 0.000 0.438 383 F N 0.369 120.331 119.950 0.021 0.000 2.539 383 F HA 0.360 4.881 4.527 -0.009 0.000 0.328 383 F C 0.262 176.101 175.800 0.066 0.000 1.148 383 F CA -0.662 57.375 58.000 0.062 0.000 0.940 383 F CB 1.578 40.671 39.000 0.155 0.000 1.194 383 F HN 0.437 nan 8.300 nan 0.000 0.438 384 E N 1.792 122.102 120.200 0.184 0.000 2.345 384 E HA 0.219 4.546 4.350 -0.038 0.000 0.259 384 E C -0.748 175.965 176.600 0.189 0.000 1.117 384 E CA -0.535 55.960 56.400 0.158 0.000 0.913 384 E CB 0.482 30.239 29.700 0.096 0.000 1.057 384 E HN 0.492 nan 8.360 nan 0.000 0.432 385 D N 1.119 121.623 120.400 0.172 0.000 2.718 385 D HA -0.165 4.452 4.640 -0.038 0.000 0.242 385 D C -0.318 176.085 176.300 0.172 0.000 1.123 385 D CA 0.658 54.754 54.000 0.159 0.000 0.690 385 D CB -0.470 40.409 40.800 0.133 0.000 1.059 385 D HN 0.357 nan 8.370 nan 0.000 0.429 386 M N -0.552 119.177 119.600 0.214 0.000 2.778 386 M HA 0.254 4.711 4.480 -0.038 0.000 0.359 386 M C 1.672 178.014 176.300 0.070 0.000 1.216 386 M CA 0.087 55.505 55.300 0.197 0.000 0.935 386 M CB 0.725 33.514 32.600 0.315 0.000 1.330 386 M HN 0.149 nan 8.290 nan 0.000 0.516 387 G N 0.054 108.843 108.800 -0.019 0.000 2.833 387 G HA2 0.373 4.310 3.960 -0.038 0.000 0.210 387 G HA3 0.373 4.310 3.960 -0.038 0.000 0.210 387 G C 0.450 175.116 174.900 -0.390 0.000 1.139 387 G CA 0.115 44.989 45.100 -0.377 0.000 0.771 387 G HN 0.484 nan 8.290 nan 0.000 0.535 388 A N -0.127 122.592 122.820 -0.167 0.000 2.274 388 A HA 0.616 4.913 4.320 -0.038 0.000 0.309 388 A C -0.148 177.378 177.584 -0.096 0.000 1.226 388 A CA -0.746 51.172 52.037 -0.198 0.000 0.853 388 A CB -0.124 18.888 19.000 0.021 0.000 1.146 388 A HN 0.714 nan 8.150 nan 0.000 0.518 389 Y N 1.353 121.609 120.300 -0.074 0.000 3.168 389 Y HA -0.327 4.181 4.550 -0.070 0.000 0.207 389 Y C 1.536 177.393 175.900 -0.072 0.000 1.280 389 Y CA 1.088 59.150 58.100 -0.063 0.000 1.235 389 Y CB -2.360 36.097 38.460 -0.004 0.000 1.370 389 Y HN 0.908 nan 8.280 nan 0.000 0.537 390 T N -6.175 108.332 114.554 -0.078 0.000 3.311 390 T HA 0.079 4.406 4.350 -0.038 0.000 0.239 390 T C 1.548 176.195 174.700 -0.089 0.000 0.976 390 T CA 0.502 62.560 62.100 -0.070 0.000 1.283 390 T CB -0.716 68.100 68.868 -0.088 0.000 1.113 390 T HN 0.064 nan 8.240 nan 0.000 0.392 391 V N 3.757 123.541 119.914 -0.217 0.000 2.343 391 V HA -0.135 3.962 4.120 -0.038 0.000 0.247 391 V C 3.071 179.095 176.094 -0.117 0.000 1.051 391 V CA 1.721 63.919 62.300 -0.170 0.000 1.036 391 V CB -1.592 30.044 31.823 -0.312 0.000 0.654 391 V HN 0.584 nan 8.190 nan 0.000 0.451 392 V N -0.059 119.765 119.914 -0.150 0.000 2.626 392 V HA 0.063 4.160 4.120 -0.038 0.000 0.252 392 V C 2.041 178.082 176.094 -0.089 0.000 1.067 392 V CA 1.983 64.211 62.300 -0.120 0.000 1.081 392 V CB -1.276 30.467 31.823 -0.132 0.000 0.686 392 V HN 0.470 nan 8.190 nan 0.000 0.468 393 G N 1.098 109.853 108.800 -0.075 0.000 3.284 393 G HA2 0.216 4.153 3.960 -0.038 0.000 0.236 393 G HA3 0.216 4.153 3.960 -0.038 0.000 0.236 393 G C 0.616 175.502 174.900 -0.024 0.000 1.158 393 G CA 0.537 45.571 45.100 -0.109 0.000 0.774 393 G HN 0.694 nan 8.290 nan 0.000 0.545 394 T N -0.506 114.059 114.554 0.018 0.000 2.913 394 T HA 0.545 4.872 4.350 -0.038 0.000 0.297 394 T C 0.412 175.178 174.700 0.109 0.000 1.029 394 T CA -0.055 62.098 62.100 0.088 0.000 1.104 394 T CB 1.750 70.676 68.868 0.096 0.000 0.964 394 T HN 0.297 nan 8.240 nan 0.000 0.532 395 S N 0.695 116.506 115.700 0.185 0.000 2.677 395 S HA 0.570 5.017 4.470 -0.038 0.000 0.304 395 S C 0.471 175.212 174.600 0.235 0.000 1.108 395 S CA -0.461 57.863 58.200 0.206 0.000 0.944 395 S CB 1.605 64.969 63.200 0.272 0.000 1.127 395 S HN 1.124 nan 8.310 nan 0.000 0.511 396 S N 0.577 116.396 115.700 0.198 0.000 2.526 396 S HA 0.299 4.746 4.470 -0.038 0.000 0.247 396 S C -0.202 174.489 174.600 0.150 0.000 1.076 396 S CA -0.719 57.580 58.200 0.165 0.000 1.105 396 S CB -1.057 62.200 63.200 0.096 0.000 0.793 396 S HN 0.609 nan 8.310 nan 0.000 0.458 397 F N 3.108 123.090 119.950 0.055 0.000 2.602 397 F HA 0.205 4.708 4.527 -0.041 0.000 0.367 397 F C 1.185 176.905 175.800 -0.134 0.000 1.126 397 F CA 0.582 58.528 58.000 -0.089 0.000 1.321 397 F CB -0.327 38.498 39.000 -0.292 0.000 1.094 397 F HN 0.588 nan 8.300 nan 0.000 0.594 398 N N 2.376 120.432 118.700 -1.073 0.000 2.815 398 N HA -0.250 4.467 4.740 -0.038 0.000 0.247 398 N C 0.881 175.913 175.510 -0.797 0.000 1.030 398 N CA 0.668 53.153 53.050 -0.942 0.000 0.881 398 N CB -1.131 36.882 38.487 -0.791 0.000 1.134 398 N HN 1.270 nan 8.380 nan 0.000 0.582 399 G N -1.206 107.307 108.800 -0.478 0.000 2.179 399 G HA2 -0.337 3.600 3.960 -0.038 0.000 0.260 399 G HA3 -0.337 3.600 3.960 -0.038 0.000 0.260 399 G C 0.127 174.880 174.900 -0.245 0.000 0.977 399 G CA 0.344 45.242 45.100 -0.337 0.000 0.641 399 G HN 0.417 nan 8.290 nan 0.000 0.533 400 F N 1.729 121.671 119.950 -0.013 0.000 2.495 400 F HA 0.412 4.917 4.527 -0.037 0.000 0.365 400 F C 1.108 176.949 175.800 0.068 0.000 1.090 400 F CA -0.545 57.478 58.000 0.039 0.000 1.235 400 F CB 0.728 39.769 39.000 0.068 0.000 1.119 400 F HN 0.001 nan 8.300 nan 0.000 0.562 401 Q N 1.921 121.881 119.800 0.265 0.000 2.259 401 Q HA 0.227 4.544 4.340 -0.038 0.000 0.246 401 Q C -0.161 175.950 176.000 0.185 0.000 0.920 401 Q CA -0.527 55.386 55.803 0.183 0.000 0.895 401 Q CB 1.633 30.458 28.738 0.144 0.000 1.220 401 Q HN 0.721 nan 8.270 nan 0.000 0.439 402 S N 1.339 117.135 115.700 0.160 0.000 2.565 402 S HA 0.416 4.863 4.470 -0.038 0.000 0.276 402 S C -2.219 172.480 174.600 0.166 0.000 1.326 402 S CA -1.180 57.116 58.200 0.161 0.000 1.045 402 S CB 0.012 63.299 63.200 0.145 0.000 0.918 402 S HN 0.288 nan 8.310 nan 0.000 0.505 403 P HA 0.142 nan 4.420 nan 0.000 0.265 403 P C -0.163 177.273 177.300 0.227 0.000 1.187 403 P CA -0.020 63.194 63.100 0.190 0.000 0.766 403 P CB -0.018 31.732 31.700 0.084 0.000 0.820 404 T N 3.015 117.679 114.554 0.183 0.000 2.918 404 T HA 0.298 4.625 4.350 -0.038 0.000 0.302 404 T C 0.626 175.346 174.700 0.033 0.000 1.045 404 T CA 0.080 62.209 62.100 0.049 0.000 1.114 404 T CB 0.029 68.850 68.868 -0.078 0.000 0.965 404 T HN 0.177 nan 8.240 nan 0.000 0.540 405 I N 2.481 122.977 120.570 -0.123 0.000 2.377 405 I HA 0.364 4.511 4.170 -0.038 0.000 0.293 405 I C -0.809 174.934 176.117 -0.624 0.000 0.987 405 I CA -0.809 60.376 61.300 -0.191 0.000 1.185 405 I CB 0.943 38.842 38.000 -0.168 0.000 1.341 405 I HN 0.570 nan 8.210 nan 0.000 0.455 406 Y N 5.098 125.221 120.300 -0.296 0.000 2.360 406 Y HA 0.524 5.049 4.550 -0.043 0.000 0.337 406 Y C -0.740 174.888 175.900 -0.453 0.000 1.039 406 Y CA -0.617 57.302 58.100 -0.301 0.000 1.109 406 Y CB 1.210 39.588 38.460 -0.137 0.000 1.201 406 Y HN 0.333 nan 8.280 nan 0.000 0.458 407 Y N 0.962 121.329 120.300 0.111 0.000 2.377 407 Y HA 0.567 5.095 4.550 -0.036 0.000 0.339 407 Y C -0.469 175.444 175.900 0.021 0.000 1.011 407 Y CA -1.282 56.829 58.100 0.018 0.000 1.093 407 Y CB 1.379 39.842 38.460 0.005 0.000 1.201 407 Y HN 0.214 nan 8.280 nan 0.000 0.455 408 V N 4.422 124.415 119.914 0.132 0.000 2.350 408 V HA 0.224 4.321 4.120 -0.038 0.000 0.276 408 V C -0.388 175.755 176.094 0.082 0.000 1.028 408 V CA -0.875 61.471 62.300 0.077 0.000 0.860 408 V CB 1.122 32.965 31.823 0.033 0.000 0.990 408 V HN 0.557 nan 8.190 nan 0.000 0.453 409 V N 5.187 125.138 119.914 0.062 0.000 2.284 409 V HA 0.136 4.233 4.120 -0.038 0.000 0.260 409 V C 1.248 177.360 176.094 0.029 0.000 1.084 409 V CA 0.212 62.537 62.300 0.041 0.000 0.894 409 V CB 0.399 32.221 31.823 -0.002 0.000 1.119 409 V HN 0.988 nan 8.190 nan 0.000 0.484 410 S N 3.135 118.865 115.700 0.049 0.000 2.343 410 S HA 0.163 4.610 4.470 -0.038 0.000 0.219 410 S C 1.105 175.721 174.600 0.027 0.000 1.033 410 S CA 1.316 59.539 58.200 0.038 0.000 1.014 410 S CB 0.003 63.232 63.200 0.048 0.000 0.915 410 S HN 1.049 nan 8.310 nan 0.000 0.435 411 G N -0.805 108.018 108.800 0.038 0.000 2.441 411 G HA2 0.398 4.335 3.960 -0.038 0.000 0.225 411 G HA3 0.398 4.335 3.960 -0.038 0.000 0.225 411 G C -1.464 173.451 174.900 0.026 0.000 1.200 411 G CA -0.361 44.745 45.100 0.010 0.000 0.947 411 G HN 0.834 nan 8.290 nan 0.000 0.484 412 L N -0.303 120.936 121.223 0.026 0.000 2.878 412 L HA -0.065 4.252 4.340 -0.038 0.000 0.717 412 L C -1.633 175.230 176.870 -0.012 0.000 1.168 412 L CA 0.881 55.753 54.840 0.053 0.000 1.349 412 L CB -0.965 41.191 42.059 0.163 0.000 2.015 412 L HN 0.354 nan 8.230 nan 0.000 0.935 413 P HA -0.169 nan 4.420 nan 0.000 0.217 413 P C 1.271 178.538 177.300 -0.056 0.000 1.148 413 P CA 1.839 64.901 63.100 -0.064 0.000 0.828 413 P CB -0.054 31.622 31.700 -0.039 0.000 0.783 414 D N -0.937 119.456 120.400 -0.013 0.000 2.218 414 D HA -0.228 4.389 4.640 -0.038 0.000 0.204 414 D C 1.649 177.963 176.300 0.022 0.000 0.976 414 D CA 1.311 55.312 54.000 0.001 0.000 0.853 414 D CB -0.737 40.072 40.800 0.016 0.000 0.939 414 D HN 0.343 nan 8.370 nan 0.000 0.481 415 H N 0.156 119.198 119.070 -0.047 0.000 2.547 415 H HA 0.155 4.688 4.556 -0.038 0.000 0.272 415 H C 1.769 177.061 175.328 -0.061 0.000 0.971 415 H CA 0.552 56.564 56.048 -0.061 0.000 1.245 415 H CB -0.172 29.550 29.762 -0.068 0.000 1.440 415 H HN -0.044 nan 8.280 nan 0.000 0.540 416 V N 0.404 120.036 119.914 -0.470 0.000 2.515 416 V HA -0.176 3.921 4.120 -0.038 0.000 0.250 416 V C 2.431 178.403 176.094 -0.202 0.000 1.058 416 V CA 1.356 63.416 62.300 -0.401 0.000 1.064 416 V CB -0.447 31.208 31.823 -0.280 0.000 0.675 416 V HN 0.365 nan 8.190 nan 0.000 0.461 417 V N 0.452 120.287 119.914 -0.133 0.000 2.358 417 V HA -0.242 3.855 4.120 -0.038 0.000 0.246 417 V C 2.637 178.682 176.094 -0.081 0.000 1.047 417 V CA 2.267 64.513 62.300 -0.089 0.000 1.035 417 V CB -0.728 31.058 31.823 -0.062 0.000 0.658 417 V HN 0.561 nan 8.190 nan 0.000 0.452 418 R N 0.921 121.382 120.500 -0.065 0.000 2.091 418 R HA -0.222 4.095 4.340 -0.038 0.000 0.238 418 R C 2.027 178.281 176.300 -0.076 0.000 1.136 418 R CA 2.000 58.068 56.100 -0.052 0.000 0.959 418 R CB -0.576 29.718 30.300 -0.010 0.000 0.856 418 R HN 0.466 nan 8.270 nan 0.000 0.437 419 E N -0.129 120.016 120.200 -0.091 0.000 2.187 419 E HA -0.138 4.189 4.350 -0.038 0.000 0.199 419 E C 0.364 176.888 176.600 -0.126 0.000 1.004 419 E CA 1.922 58.253 56.400 -0.116 0.000 0.813 419 E CB -0.138 29.474 29.700 -0.146 0.000 0.736 419 E HN 0.542 nan 8.360 nan 0.000 0.468 420 L N 0.000 121.156 121.223 -0.113 0.000 2.949 420 L HA 0.000 4.317 4.340 -0.038 0.000 0.249 420 L CA 0.000 54.775 54.840 -0.108 0.000 0.813 420 L CB 0.000 42.004 42.059 -0.092 0.000 0.961 420 L HN 0.000 nan 8.230 nan 0.000 0.502