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 3fk1_1_A DATA FIRST_RESID 1 DATA SEQUENCE MESLTLQPIA RVDGTINLPG SKSVSNRALL LAALAHGKTV LTNLLDSDDV DATA SEQUENCE RHMLNALTAL GVSYTLSADR TRCEIIGNGG PLHAEGALEL FLGNAGIAMR DATA SEQUENCE SLAAALCLGS NDIVLTGEPR MKERPIGHLV DALRLGGAKI TYLEQENYPP DATA SEQUENCE LRLQGGFTGG NVDVDGSVSS QFLTALLMTA PLAPEDTVIR IKGDLVSKPY DATA SEQUENCE IDITLNLMKT FGVEIENQHY QQFVVKGGQS YQSPGTYLVE GDASSASYFL DATA SEQUENCE AAAAIKGGTV KVTGIGRNSM QGDIRFADVL EKMGATICWG DDYISCTRGE DATA SEQUENCE LNAIDMDMNH IPDAAMTIAT AALFAKGTTT LRNIYNWRVK ETDRLFAMAT DATA SEQUENCE ELRKVGAEVE EGHDYIRITP PEKLNFAEIA TYNDHRMAMC FSLVALSDTP DATA SEQUENCE VTILDPKCTA KTFPDYFEQL ARISQAA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.285 176.300 -0.025 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.024 0.000 0.988 1 M CB 0.000 32.581 32.600 -0.031 0.000 1.302 2 E N 1.406 121.592 120.200 -0.024 0.000 2.390 2 E HA 0.562 4.911 4.350 -0.001 0.000 0.261 2 E C -0.778 175.799 176.600 -0.039 0.000 1.076 2 E CA 0.332 56.715 56.400 -0.028 0.000 0.905 2 E CB 1.142 30.829 29.700 -0.022 0.000 0.984 2 E HN 0.686 nan 8.360 nan 0.000 0.427 3 S N 1.972 117.643 115.700 -0.049 0.000 2.588 3 S HA 0.596 5.065 4.470 -0.001 0.000 0.269 3 S C -1.319 173.225 174.600 -0.094 0.000 1.157 3 S CA -1.064 57.097 58.200 -0.064 0.000 0.824 3 S CB 1.127 64.303 63.200 -0.039 0.000 1.126 3 S HN 0.431 nan 8.310 nan 0.000 0.464 4 L N 1.054 122.194 121.223 -0.138 0.000 2.408 4 L HA 0.757 5.096 4.340 -0.001 0.000 0.268 4 L C -1.365 175.426 176.870 -0.131 0.000 0.986 4 L CA -0.223 54.500 54.840 -0.196 0.000 0.820 4 L CB 2.257 44.059 42.059 -0.428 0.000 1.303 4 L HN 0.921 nan 8.230 nan 0.000 0.411 5 T N 5.540 120.050 114.554 -0.073 0.000 2.779 5 T HA 0.513 4.862 4.350 -0.001 0.000 0.280 5 T C -0.348 174.352 174.700 -0.000 0.000 0.987 5 T CA -0.306 61.799 62.100 0.009 0.000 0.966 5 T CB 1.104 70.006 68.868 0.056 0.000 0.933 5 T HN 0.375 nan 8.240 nan 0.000 0.442 6 L N 3.647 124.894 121.223 0.040 0.000 2.282 6 L HA 0.418 4.757 4.340 -0.001 0.000 0.288 6 L C 0.703 177.623 176.870 0.084 0.000 1.033 6 L CA -0.802 54.073 54.840 0.058 0.000 0.807 6 L CB 1.274 43.394 42.059 0.101 0.000 1.209 6 L HN 0.494 nan 8.230 nan 0.000 0.423 7 Q N 3.439 123.278 119.800 0.063 0.000 2.312 7 Q HA 0.287 4.627 4.340 -0.001 0.000 0.236 7 Q C -2.193 173.851 176.000 0.073 0.000 0.965 7 Q CA -1.826 54.016 55.803 0.065 0.000 0.894 7 Q CB 0.708 29.470 28.738 0.040 0.000 1.225 7 Q HN 0.334 nan 8.270 nan 0.000 0.478 8 P HA -0.046 nan 4.420 nan 0.000 0.264 8 P C -0.958 176.375 177.300 0.055 0.000 1.183 8 P CA 0.782 63.927 63.100 0.076 0.000 0.763 8 P CB 0.335 32.078 31.700 0.072 0.000 0.807 9 I N 2.306 122.906 120.570 0.051 0.000 2.330 9 I HA 0.242 4.412 4.170 -0.001 0.000 0.289 9 I C 1.268 177.395 176.117 0.017 0.000 1.001 9 I CA -0.337 60.981 61.300 0.031 0.000 1.193 9 I CB 1.607 39.624 38.000 0.028 0.000 1.345 9 I HN 0.368 nan 8.210 nan 0.000 0.461 10 A N 6.501 129.329 122.820 0.014 0.000 1.968 10 A HA 0.063 4.382 4.320 -0.001 0.000 0.217 10 A C 1.163 178.745 177.584 -0.003 0.000 1.169 10 A CA 1.176 53.218 52.037 0.009 0.000 0.638 10 A CB 0.094 19.100 19.000 0.009 0.000 0.812 10 A HN 0.750 nan 8.150 nan 0.000 0.446 11 R N -1.748 118.748 120.500 -0.007 0.000 2.664 11 R HA 0.455 4.794 4.340 -0.001 0.000 0.266 11 R C -1.992 174.301 176.300 -0.013 0.000 1.046 11 R CA -0.175 55.916 56.100 -0.014 0.000 0.885 11 R CB 1.777 32.070 30.300 -0.011 0.000 1.254 11 R HN 0.307 nan 8.270 nan 0.000 0.465 12 V N -0.352 119.553 119.914 -0.014 0.000 2.769 12 V HA 0.783 4.902 4.120 -0.001 0.000 0.312 12 V C -0.955 175.133 176.094 -0.010 0.000 1.061 12 V CA -0.517 61.780 62.300 -0.005 0.000 0.931 12 V CB 1.927 33.758 31.823 0.014 0.000 1.010 12 V HN 0.841 nan 8.190 nan 0.000 0.433 13 D N 1.033 121.423 120.400 -0.017 0.000 2.747 13 D HA 0.582 5.222 4.640 -0.001 0.000 0.218 13 D C -0.335 175.941 176.300 -0.040 0.000 1.230 13 D CA 0.773 54.758 54.000 -0.026 0.000 0.774 13 D CB 2.124 42.908 40.800 -0.026 0.000 1.667 13 D HN 1.452 nan 8.370 nan 0.000 0.499 14 G N 1.001 109.770 108.800 -0.051 0.000 2.339 14 G HA2 0.267 4.226 3.960 -0.001 0.000 0.275 14 G HA3 0.267 4.226 3.960 -0.001 0.000 0.275 14 G C -1.487 173.363 174.900 -0.085 0.000 1.323 14 G CA -0.383 44.676 45.100 -0.069 0.000 0.927 14 G HN 0.474 nan 8.290 nan 0.000 0.486 15 T N 0.832 115.325 114.554 -0.101 0.000 2.886 15 T HA 0.641 4.991 4.350 -0.001 0.000 0.292 15 T C -0.646 173.970 174.700 -0.140 0.000 1.012 15 T CA -0.433 61.602 62.100 -0.108 0.000 0.982 15 T CB 1.460 70.269 68.868 -0.097 0.000 1.018 15 T HN 0.542 nan 8.240 nan 0.000 0.451 16 I N 3.542 124.017 120.570 -0.159 0.000 2.406 16 I HA 0.351 4.521 4.170 -0.001 0.000 0.290 16 I C -0.372 175.682 176.117 -0.105 0.000 0.999 16 I CA -0.962 60.210 61.300 -0.213 0.000 1.124 16 I CB 1.802 39.530 38.000 -0.453 0.000 1.289 16 I HN 0.554 nan 8.210 nan 0.000 0.441 17 N N 7.356 126.010 118.700 -0.077 0.000 2.420 17 N HA 0.349 5.089 4.740 -0.001 0.000 0.249 17 N C -0.162 175.330 175.510 -0.029 0.000 1.033 17 N CA -0.417 52.611 53.050 -0.036 0.000 0.944 17 N CB 1.485 39.955 38.487 -0.029 0.000 1.113 17 N HN 0.449 nan 8.380 nan 0.000 0.502 18 L N 3.448 124.662 121.223 -0.016 0.000 2.483 18 L HA 0.162 4.501 4.340 -0.001 0.000 0.276 18 L C -1.438 175.380 176.870 -0.087 0.000 1.213 18 L CA -1.136 53.684 54.840 -0.032 0.000 0.843 18 L CB -0.141 41.914 42.059 -0.006 0.000 1.107 18 L HN 0.258 nan 8.230 nan 0.000 0.487 19 P HA 0.118 nan 4.420 nan 0.000 0.276 19 P C -0.190 177.020 177.300 -0.149 0.000 1.252 19 P CA -0.434 62.542 63.100 -0.207 0.000 0.802 19 P CB 0.569 32.011 31.700 -0.430 0.000 1.035 20 G N 0.441 109.184 108.800 -0.094 0.000 2.554 20 G HA2 0.163 4.123 3.960 -0.001 0.000 0.238 20 G HA3 0.163 4.123 3.960 -0.001 0.000 0.238 20 G C 0.091 174.960 174.900 -0.052 0.000 1.259 20 G CA -0.242 44.825 45.100 -0.055 0.000 0.843 20 G HN 0.538 nan 8.290 nan 0.000 0.582 21 S N 0.178 115.868 115.700 -0.016 0.000 2.516 21 S HA 0.058 4.528 4.470 -0.001 0.000 0.282 21 S C 1.584 176.193 174.600 0.015 0.000 1.286 21 S CA -0.336 57.868 58.200 0.006 0.000 1.066 21 S CB 0.908 64.130 63.200 0.036 0.000 0.884 21 S HN 0.678 nan 8.310 nan 0.000 0.491 22 K N 3.675 124.084 120.400 0.015 0.000 2.057 22 K HA -0.063 4.257 4.320 -0.001 0.000 0.206 22 K C 1.874 178.488 176.600 0.024 0.000 1.050 22 K CA 1.683 57.977 56.287 0.011 0.000 0.935 22 K CB -0.625 31.882 32.500 0.011 0.000 0.715 22 K HN 0.669 nan 8.250 nan 0.000 0.439 23 S N 0.714 116.450 115.700 0.060 0.000 2.356 23 S HA -0.099 4.371 4.470 -0.001 0.000 0.223 23 S C 2.042 176.682 174.600 0.066 0.000 1.032 23 S CA 1.353 59.602 58.200 0.081 0.000 1.005 23 S CB -0.156 63.160 63.200 0.192 0.000 0.867 23 S HN 0.129 nan 8.310 nan 0.000 0.449 24 V N 1.458 121.420 119.914 0.080 0.000 2.379 24 V HA -0.113 4.007 4.120 -0.001 0.000 0.245 24 V C 2.417 178.554 176.094 0.072 0.000 1.044 24 V CA 1.639 63.997 62.300 0.098 0.000 1.036 24 V CB -0.892 31.018 31.823 0.144 0.000 0.664 24 V HN 0.397 nan 8.190 nan 0.000 0.453 25 S N 0.774 116.504 115.700 0.049 0.000 2.353 25 S HA -0.215 4.254 4.470 -0.001 0.000 0.222 25 S C 1.906 176.488 174.600 -0.029 0.000 1.035 25 S CA 1.841 60.053 58.200 0.020 0.000 1.025 25 S CB -0.455 62.745 63.200 -0.001 0.000 0.902 25 S HN 0.588 nan 8.310 nan 0.000 0.440 26 N N 0.764 119.440 118.700 -0.040 0.000 2.270 26 N HA 0.059 4.798 4.740 -0.001 0.000 0.181 26 N C 1.738 177.182 175.510 -0.111 0.000 1.016 26 N CA 0.654 53.660 53.050 -0.072 0.000 0.870 26 N CB -0.161 38.291 38.487 -0.058 0.000 0.979 26 N HN 0.346 nan 8.380 nan 0.000 0.431 27 R N 0.309 120.747 120.500 -0.102 0.000 2.073 27 R HA 0.101 4.440 4.340 -0.001 0.000 0.229 27 R C 2.106 178.235 176.300 -0.284 0.000 1.120 27 R CA 1.208 57.208 56.100 -0.168 0.000 0.967 27 R CB -0.255 29.979 30.300 -0.110 0.000 0.862 27 R HN 0.139 nan 8.270 nan 0.000 0.436 28 A N 1.122 123.821 122.820 -0.202 0.000 1.933 28 A HA -0.116 4.204 4.320 -0.001 0.000 0.218 28 A C 2.139 179.545 177.584 -0.296 0.000 1.175 28 A CA 1.109 52.991 52.037 -0.258 0.000 0.628 28 A CB -0.476 18.518 19.000 -0.010 0.000 0.814 28 A HN 0.170 nan 8.150 nan 0.000 0.444 29 L N -1.196 119.908 121.223 -0.198 0.000 2.056 29 L HA -0.155 4.185 4.340 -0.001 0.000 0.207 29 L C 2.558 179.283 176.870 -0.242 0.000 1.078 29 L CA 1.166 55.891 54.840 -0.191 0.000 0.749 29 L CB -0.466 41.493 42.059 -0.167 0.000 0.901 29 L HN 0.474 nan 8.230 nan 0.000 0.433 30 L N -0.175 120.888 121.223 -0.268 0.000 2.017 30 L HA -0.189 4.151 4.340 -0.001 0.000 0.208 30 L C 2.286 178.912 176.870 -0.407 0.000 1.073 30 L CA 1.732 56.407 54.840 -0.274 0.000 0.745 30 L CB -0.413 41.501 42.059 -0.242 0.000 0.894 30 L HN 0.096 nan 8.230 nan 0.000 0.432 31 L N -0.646 120.175 121.223 -0.670 0.000 2.093 31 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 31 L C 2.660 179.024 176.870 -0.843 0.000 1.085 31 L CA 1.072 55.279 54.840 -1.055 0.000 0.755 31 L CB -0.964 40.047 42.059 -1.748 0.000 0.904 31 L HN 0.372 nan 8.230 nan 0.000 0.435 32 A N 0.106 122.525 122.820 -0.668 0.000 1.933 32 A HA -0.141 4.179 4.320 -0.001 0.000 0.218 32 A C 2.522 180.065 177.584 -0.069 0.000 1.175 32 A CA 1.671 53.635 52.037 -0.122 0.000 0.628 32 A CB -0.572 18.437 19.000 0.016 0.000 0.814 32 A HN 0.399 nan 8.150 nan 0.000 0.444 33 A N -0.455 122.284 122.820 -0.134 0.000 1.930 33 A HA 0.068 4.387 4.320 -0.001 0.000 0.217 33 A C 2.080 179.622 177.584 -0.070 0.000 1.175 33 A CA 1.341 53.334 52.037 -0.072 0.000 0.627 33 A CB -0.461 18.491 19.000 -0.079 0.000 0.815 33 A HN 0.456 nan 8.150 nan 0.000 0.443 34 L N -0.713 120.449 121.223 -0.102 0.000 2.313 34 L HA 0.104 4.443 4.340 -0.001 0.000 0.214 34 L C 1.698 178.589 176.870 0.035 0.000 1.119 34 L CA 0.164 54.986 54.840 -0.031 0.000 0.809 34 L CB -0.497 41.568 42.059 0.010 0.000 0.933 34 L HN 0.395 nan 8.230 nan 0.000 0.449 35 A N -0.881 121.980 122.820 0.068 0.000 2.327 35 A HA 0.241 4.561 4.320 -0.001 0.000 0.255 35 A C -0.688 176.936 177.584 0.066 0.000 1.099 35 A CA -0.194 51.965 52.037 0.203 0.000 0.801 35 A CB -0.069 19.131 19.000 0.333 0.000 1.062 35 A HN 0.246 nan 8.150 nan 0.000 0.496 36 H N -0.752 118.401 119.070 0.139 0.000 2.489 36 H HA 0.553 5.108 4.556 -0.001 0.000 0.322 36 H C 0.807 176.190 175.328 0.091 0.000 1.091 36 H CA 0.987 57.093 56.048 0.097 0.000 1.291 36 H CB 1.075 30.884 29.762 0.079 0.000 1.436 36 H HN 1.369 nan 8.280 nan 0.000 0.480 37 G N 1.656 110.551 108.800 0.158 0.000 2.603 37 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.686 37 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.686 37 G C -1.002 173.956 174.900 0.097 0.000 1.286 37 G CA -0.868 44.303 45.100 0.118 0.000 0.871 37 G HN 0.715 nan 8.290 nan 0.000 0.568 38 K N 0.124 120.573 120.400 0.081 0.000 2.211 38 K HA 0.648 4.967 4.320 -0.001 0.000 0.275 38 K C -0.244 176.405 176.600 0.082 0.000 1.024 38 K CA -0.328 56.006 56.287 0.078 0.000 0.887 38 K CB 0.809 33.348 32.500 0.065 0.000 1.084 38 K HN 0.531 nan 8.250 nan 0.000 0.463 39 T N 3.015 117.629 114.554 0.101 0.000 2.794 39 T HA 0.292 4.641 4.350 -0.001 0.000 0.280 39 T C -0.866 173.895 174.700 0.101 0.000 0.987 39 T CA -0.610 61.555 62.100 0.108 0.000 0.993 39 T CB 1.405 70.385 68.868 0.187 0.000 0.939 39 T HN 0.300 nan 8.240 nan 0.000 0.449 40 V N 5.271 125.241 119.914 0.093 0.000 2.334 40 V HA 0.399 4.518 4.120 -0.001 0.000 0.281 40 V C -0.218 175.944 176.094 0.114 0.000 1.016 40 V CA -0.731 61.622 62.300 0.087 0.000 0.832 40 V CB 0.947 32.809 31.823 0.065 0.000 0.999 40 V HN 0.709 nan 8.190 nan 0.000 0.439 41 L N 5.490 126.782 121.223 0.114 0.000 2.289 41 L HA 0.673 5.012 4.340 -0.001 0.000 0.285 41 L C 0.498 177.416 176.870 0.079 0.000 1.049 41 L CA -0.204 54.721 54.840 0.141 0.000 0.804 41 L CB 1.855 43.997 42.059 0.138 0.000 1.195 41 L HN 0.740 nan 8.230 nan 0.000 0.428 42 T N -1.252 113.336 114.554 0.056 0.000 2.912 42 T HA 0.299 4.648 4.350 -0.001 0.000 0.288 42 T C 0.403 175.103 174.700 -0.000 0.000 1.030 42 T CA -0.739 61.372 62.100 0.018 0.000 1.020 42 T CB 1.767 70.635 68.868 -0.001 0.000 1.056 42 T HN 0.782 nan 8.240 nan 0.000 0.480 43 N N -0.353 118.344 118.700 -0.005 0.000 2.776 43 N HA -0.162 4.578 4.740 -0.001 0.000 0.250 43 N C -0.396 175.110 175.510 -0.006 0.000 1.112 43 N CA 0.008 53.049 53.050 -0.014 0.000 0.733 43 N CB -0.835 37.633 38.487 -0.031 0.000 1.097 43 N HN 0.720 nan 8.380 nan 0.000 0.558 44 L N 1.611 122.837 121.223 0.006 0.000 2.456 44 L HA 0.266 4.606 4.340 -0.001 0.000 0.272 44 L C 0.303 177.165 176.870 -0.012 0.000 1.189 44 L CA 0.036 54.880 54.840 0.006 0.000 0.846 44 L CB 0.527 42.587 42.059 0.001 0.000 1.111 44 L HN 0.213 nan 8.230 nan 0.000 0.475 45 L N 4.224 125.436 121.223 -0.019 0.000 2.380 45 L HA 0.276 4.615 4.340 -0.001 0.000 0.273 45 L C -0.627 176.227 176.870 -0.026 0.000 1.138 45 L CA 0.278 55.099 54.840 -0.031 0.000 0.832 45 L CB 0.609 42.645 42.059 -0.038 0.000 1.124 45 L HN 0.741 nan 8.230 nan 0.000 0.454 46 D N 3.335 123.726 120.400 -0.015 0.000 2.427 46 D HA 0.563 5.202 4.640 -0.001 0.000 0.226 46 D C -0.976 175.324 176.300 0.001 0.000 1.076 46 D CA 0.139 54.133 54.000 -0.009 0.000 0.849 46 D CB 0.764 41.569 40.800 0.008 0.000 1.052 46 D HN 0.712 nan 8.370 nan 0.000 0.515 47 S N 2.185 117.873 115.700 -0.019 0.000 2.643 47 S HA 0.300 4.770 4.470 -0.001 0.000 0.270 47 S C 0.344 174.906 174.600 -0.064 0.000 1.166 47 S CA -0.798 57.393 58.200 -0.015 0.000 0.815 47 S CB 1.129 64.326 63.200 -0.004 0.000 1.139 47 S HN 0.105 nan 8.310 nan 0.000 0.472 48 D N 1.188 121.546 120.400 -0.070 0.000 2.116 48 D HA -0.098 4.541 4.640 -0.001 0.000 0.193 48 D C 1.093 177.305 176.300 -0.148 0.000 0.998 48 D CA 1.780 55.693 54.000 -0.145 0.000 0.836 48 D CB -0.465 40.312 40.800 -0.038 0.000 0.951 48 D HN 0.617 nan 8.370 nan 0.000 0.449 49 D N -0.025 120.353 120.400 -0.037 0.000 2.144 49 D HA -0.093 4.547 4.640 -0.001 0.000 0.199 49 D C 2.240 178.534 176.300 -0.010 0.000 0.984 49 D CA 0.390 54.402 54.000 0.019 0.000 0.834 49 D CB -0.146 40.638 40.800 -0.027 0.000 0.955 49 D HN 0.104 nan 8.370 nan 0.000 0.465 50 V N 0.493 120.376 119.914 -0.052 0.000 2.488 50 V HA -0.123 3.996 4.120 -0.001 0.000 0.246 50 V C 2.491 178.538 176.094 -0.079 0.000 1.046 50 V CA 1.095 63.359 62.300 -0.060 0.000 1.053 50 V CB -0.356 31.430 31.823 -0.060 0.000 0.679 50 V HN 0.100 nan 8.190 nan 0.000 0.458 51 R N -0.739 119.689 120.500 -0.121 0.000 2.105 51 R HA -0.190 4.149 4.340 -0.001 0.000 0.239 51 R C 2.373 178.599 176.300 -0.124 0.000 1.135 51 R CA 1.599 57.614 56.100 -0.142 0.000 0.967 51 R CB -0.248 29.933 30.300 -0.199 0.000 0.861 51 R HN 0.572 nan 8.270 nan 0.000 0.442 52 H N -0.246 118.836 119.070 0.019 0.000 2.389 52 H HA -0.117 4.438 4.556 -0.001 0.000 0.299 52 H C 1.909 177.243 175.328 0.010 0.000 1.081 52 H CA 1.703 57.772 56.048 0.035 0.000 1.345 52 H CB -0.170 29.602 29.762 0.016 0.000 1.393 52 H HN 0.220 nan 8.280 nan 0.000 0.520 53 M N 0.694 120.341 119.600 0.078 0.000 2.099 53 M HA -0.066 4.413 4.480 -0.001 0.000 0.262 53 M C 2.071 178.365 176.300 -0.009 0.000 1.067 53 M CA 1.291 56.597 55.300 0.011 0.000 1.124 53 M CB -0.646 31.931 32.600 -0.039 0.000 1.353 53 M HN 0.110 nan 8.290 nan 0.000 0.410 54 L N -0.161 121.035 121.223 -0.045 0.000 2.046 54 L HA -0.240 4.099 4.340 -0.001 0.000 0.208 54 L C 2.039 178.988 176.870 0.131 0.000 1.077 54 L CA 1.727 56.522 54.840 -0.074 0.000 0.747 54 L CB -0.958 41.018 42.059 -0.139 0.000 0.896 54 L HN 0.474 nan 8.230 nan 0.000 0.432 55 N N -0.341 118.432 118.700 0.122 0.000 2.166 55 N HA -0.157 4.583 4.740 -0.001 0.000 0.186 55 N C 1.923 177.514 175.510 0.135 0.000 1.019 55 N CA 0.922 54.061 53.050 0.149 0.000 0.856 55 N CB -0.130 38.451 38.487 0.156 0.000 0.993 55 N HN 0.324 nan 8.380 nan 0.000 0.426 56 A N 1.316 124.203 122.820 0.112 0.000 1.898 56 A HA -0.058 4.262 4.320 -0.001 0.000 0.216 56 A C 2.137 179.766 177.584 0.075 0.000 1.181 56 A CA 0.892 52.978 52.037 0.081 0.000 0.620 56 A CB -0.593 18.436 19.000 0.049 0.000 0.819 56 A HN 0.152 nan 8.150 nan 0.000 0.442 57 L N -0.852 120.425 121.223 0.090 0.000 2.046 57 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 57 L C 2.787 179.752 176.870 0.158 0.000 1.077 57 L CA 1.751 56.659 54.840 0.112 0.000 0.747 57 L CB -1.057 41.075 42.059 0.120 0.000 0.896 57 L HN 0.328 nan 8.230 nan 0.000 0.432 58 T N 0.110 114.794 114.554 0.216 0.000 2.684 58 T HA -0.204 4.145 4.350 -0.001 0.000 0.267 58 T C 1.976 176.712 174.700 0.059 0.000 1.036 58 T CA 1.496 63.663 62.100 0.111 0.000 1.148 58 T CB -0.231 68.692 68.868 0.091 0.000 0.863 58 T HN 0.460 nan 8.240 nan 0.000 0.436 59 A N 0.859 123.721 122.820 0.070 0.000 1.972 59 A HA 0.082 4.402 4.320 -0.001 0.000 0.219 59 A C 2.061 179.670 177.584 0.042 0.000 1.169 59 A CA 1.042 53.109 52.037 0.051 0.000 0.635 59 A CB -0.660 18.376 19.000 0.060 0.000 0.810 59 A HN 0.512 nan 8.150 nan 0.000 0.446 60 L N -1.194 120.056 121.223 0.045 0.000 2.599 60 L HA 0.197 4.537 4.340 -0.001 0.000 0.230 60 L C 1.584 178.474 176.870 0.034 0.000 1.141 60 L CA 0.537 55.398 54.840 0.034 0.000 0.877 60 L CB -0.105 41.966 42.059 0.019 0.000 1.009 60 L HN 0.573 nan 8.230 nan 0.000 0.447 61 G N -0.242 108.578 108.800 0.032 0.000 2.141 61 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.242 61 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.242 61 G C 0.168 175.081 174.900 0.022 0.000 0.982 61 G CA -0.051 45.062 45.100 0.021 0.000 0.662 61 G HN 0.086 nan 8.290 nan 0.000 0.527 62 V N 1.342 121.283 119.914 0.045 0.000 2.583 62 V HA 0.553 4.672 4.120 -0.001 0.000 0.287 62 V C 0.839 176.963 176.094 0.050 0.000 1.051 62 V CA 0.123 62.464 62.300 0.068 0.000 1.010 62 V CB 1.656 33.549 31.823 0.116 0.000 0.988 62 V HN 0.362 nan 8.190 nan 0.000 0.478 63 S N 4.640 120.359 115.700 0.031 0.000 2.508 63 S HA 0.778 5.247 4.470 -0.001 0.000 0.284 63 S C -0.815 173.817 174.600 0.053 0.000 1.192 63 S CA -0.443 57.731 58.200 -0.044 0.000 1.070 63 S CB 0.787 63.969 63.200 -0.030 0.000 1.004 63 S HN 0.740 nan 8.310 nan 0.000 0.493 64 Y N -1.061 119.245 120.300 0.010 0.000 2.656 64 Y HA 0.747 5.297 4.550 -0.001 0.000 0.334 64 Y C -0.717 175.191 175.900 0.014 0.000 1.179 64 Y CA -1.320 56.788 58.100 0.014 0.000 1.050 64 Y CB 0.564 39.032 38.460 0.012 0.000 1.308 64 Y HN 0.581 nan 8.280 nan 0.000 0.456 65 T N 0.431 115.150 114.554 0.276 0.000 2.906 65 T HA 0.822 5.171 4.350 -0.001 0.000 0.295 65 T C -1.346 173.494 174.700 0.232 0.000 1.061 65 T CA -0.783 61.424 62.100 0.179 0.000 1.000 65 T CB 1.787 70.704 68.868 0.082 0.000 1.103 65 T HN 0.845 nan 8.240 nan 0.000 0.486 66 L N 2.352 123.683 121.223 0.181 0.000 2.354 66 L HA 0.623 4.962 4.340 -0.001 0.000 0.269 66 L C 0.912 177.828 176.870 0.077 0.000 1.005 66 L CA -1.048 53.869 54.840 0.128 0.000 0.819 66 L CB 2.423 44.563 42.059 0.136 0.000 1.311 66 L HN 1.049 nan 8.230 nan 0.000 0.423 67 S N 1.134 116.868 115.700 0.056 0.000 2.626 67 S HA 0.272 4.741 4.470 -0.001 0.000 0.257 67 S C 1.219 175.841 174.600 0.037 0.000 1.288 67 S CA 0.014 58.238 58.200 0.041 0.000 0.980 67 S CB 1.098 64.317 63.200 0.032 0.000 0.975 67 S HN 0.717 nan 8.310 nan 0.000 0.577 68 A N 0.981 123.819 122.820 0.029 0.000 1.940 68 A HA -0.114 4.205 4.320 -0.001 0.000 0.219 68 A C 1.636 179.235 177.584 0.026 0.000 1.176 68 A CA 1.762 53.815 52.037 0.026 0.000 0.631 68 A CB -1.145 17.868 19.000 0.021 0.000 0.814 68 A HN 0.963 nan 8.150 nan 0.000 0.446 69 D N -2.058 118.356 120.400 0.024 0.000 2.325 69 D HA 0.062 4.702 4.640 -0.001 0.000 0.225 69 D C 0.638 176.952 176.300 0.022 0.000 1.096 69 D CA -0.094 53.920 54.000 0.023 0.000 0.844 69 D CB -0.543 40.269 40.800 0.020 0.000 0.925 69 D HN 0.439 nan 8.370 nan 0.000 0.513 70 R N -1.168 119.347 120.500 0.026 0.000 3.863 70 R HA -0.179 4.160 4.340 -0.001 0.000 0.313 70 R C 0.745 177.052 176.300 0.011 0.000 1.202 70 R CA 1.353 57.467 56.100 0.023 0.000 0.852 70 R CB -2.963 27.349 30.300 0.021 0.000 1.292 70 R HN 0.521 nan 8.270 nan 0.000 0.519 71 T N -3.291 111.271 114.554 0.013 0.000 3.040 71 T HA 0.128 4.478 4.350 -0.001 0.000 0.250 71 T C 0.642 175.349 174.700 0.012 0.000 1.058 71 T CA -0.164 61.940 62.100 0.007 0.000 0.988 71 T CB 0.375 69.246 68.868 0.004 0.000 0.993 71 T HN 0.300 nan 8.240 nan 0.000 0.519 72 R N 0.038 120.551 120.500 0.021 0.000 2.437 72 R HA 0.649 4.988 4.340 -0.001 0.000 0.310 72 R C -1.818 174.505 176.300 0.038 0.000 0.955 72 R CA -0.699 55.419 56.100 0.029 0.000 0.851 72 R CB 1.436 31.754 30.300 0.030 0.000 1.161 72 R HN 0.306 nan 8.270 nan 0.000 0.446 73 C N 4.095 123.419 119.300 0.040 0.000 2.431 73 C HA 0.446 4.905 4.460 -0.001 0.000 0.321 73 C C -0.899 174.133 174.990 0.070 0.000 1.202 73 C CA -0.482 58.563 59.018 0.046 0.000 1.398 73 C CB 1.424 29.149 27.740 -0.025 0.000 2.047 73 C HN 0.886 nan 8.230 nan 0.000 0.465 74 E N 5.018 125.279 120.200 0.102 0.000 2.073 74 E HA 0.431 4.781 4.350 -0.001 0.000 0.269 74 E C -0.986 175.697 176.600 0.138 0.000 0.917 74 E CA -0.227 56.235 56.400 0.102 0.000 0.757 74 E CB 1.245 30.997 29.700 0.088 0.000 1.111 74 E HN 0.571 nan 8.360 nan 0.000 0.410 75 I N 3.629 124.271 120.570 0.120 0.000 2.359 75 I HA 0.166 4.335 4.170 -0.001 0.000 0.294 75 I C -0.138 176.045 176.117 0.110 0.000 0.987 75 I CA -0.597 60.785 61.300 0.136 0.000 1.225 75 I CB 1.025 39.077 38.000 0.085 0.000 1.366 75 I HN 0.382 nan 8.210 nan 0.000 0.466 76 I N 5.666 126.300 120.570 0.107 0.000 2.291 76 I HA 0.230 4.400 4.170 -0.001 0.000 0.292 76 I C 1.084 177.236 176.117 0.058 0.000 1.064 76 I CA -0.095 61.249 61.300 0.073 0.000 1.269 76 I CB 0.111 38.145 38.000 0.056 0.000 1.418 76 I HN 0.672 nan 8.210 nan 0.000 0.485 77 G N 4.448 113.280 108.800 0.053 0.000 2.414 77 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.236 77 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.236 77 G C 0.808 175.692 174.900 -0.026 0.000 1.293 77 G CA -0.168 44.945 45.100 0.023 0.000 0.869 77 G HN 0.727 nan 8.290 nan 0.000 0.556 78 N N 0.700 119.368 118.700 -0.053 0.000 2.457 78 N HA 0.063 4.802 4.740 -0.001 0.000 0.180 78 N C 1.806 177.215 175.510 -0.169 0.000 1.050 78 N CA 1.395 54.403 53.050 -0.070 0.000 0.906 78 N CB -0.060 38.400 38.487 -0.046 0.000 0.968 78 N HN 1.075 nan 8.380 nan 0.000 0.445 79 G N -1.210 107.373 108.800 -0.362 0.000 2.272 79 G HA2 0.065 4.024 3.960 -0.001 0.000 0.280 79 G HA3 0.065 4.024 3.960 -0.001 0.000 0.280 79 G C 0.327 174.925 174.900 -0.502 0.000 1.067 79 G CA 0.546 45.052 45.100 -0.991 0.000 0.902 79 G HN 0.878 nan 8.290 nan 0.000 0.500 80 G N -1.755 106.926 108.800 -0.198 0.000 2.369 80 G HA2 0.497 4.456 3.960 -0.001 0.000 0.307 80 G HA3 0.497 4.456 3.960 -0.001 0.000 0.307 80 G C -2.981 171.912 174.900 -0.012 0.000 1.327 80 G CA -0.130 44.964 45.100 -0.011 0.000 0.963 80 G HN 0.498 nan 8.290 nan 0.000 0.590 81 P HA 0.253 nan 4.420 nan 0.000 0.264 81 P C 0.303 177.425 177.300 -0.296 0.000 1.179 81 P CA 0.055 63.073 63.100 -0.135 0.000 0.763 81 P CB 0.340 31.973 31.700 -0.112 0.000 0.806 82 L N 3.882 124.906 121.223 -0.332 0.000 2.418 82 L HA 0.353 4.692 4.340 -0.001 0.000 0.265 82 L C 0.746 177.311 176.870 -0.508 0.000 1.143 82 L CA -0.170 54.505 54.840 -0.274 0.000 0.809 82 L CB 0.310 42.282 42.059 -0.145 0.000 1.124 82 L HN 0.479 nan 8.230 nan 0.000 0.456 83 H N 0.928 120.002 119.070 0.007 0.000 2.930 83 H HA 0.780 5.336 4.556 -0.001 0.000 0.371 83 H C -1.061 174.273 175.328 0.009 0.000 1.169 83 H CA -0.698 55.355 56.048 0.009 0.000 1.157 83 H CB 2.221 31.989 29.762 0.010 0.000 1.789 83 H HN 0.710 nan 8.280 nan 0.000 0.547 84 A N 1.987 124.897 122.820 0.149 0.000 2.605 84 A HA 0.579 4.898 4.320 -0.001 0.000 0.294 84 A C -0.994 176.633 177.584 0.071 0.000 1.062 84 A CA -0.708 51.380 52.037 0.085 0.000 0.682 84 A CB 2.199 21.232 19.000 0.055 0.000 1.278 84 A HN 0.671 nan 8.150 nan 0.000 0.410 85 E N -0.754 119.474 120.200 0.047 0.000 2.447 85 E HA 0.638 4.987 4.350 -0.001 0.000 0.258 85 E C 0.495 177.111 176.600 0.027 0.000 0.916 85 E CA -0.654 55.767 56.400 0.035 0.000 0.846 85 E CB 1.510 31.225 29.700 0.025 0.000 1.517 85 E HN 2.057 nan 8.360 nan 0.000 0.418 86 G N 0.138 108.951 108.800 0.021 0.000 2.176 86 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.252 86 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.252 86 G C 0.631 175.543 174.900 0.020 0.000 1.024 86 G CA 0.468 45.579 45.100 0.018 0.000 0.755 86 G HN 1.334 nan 8.290 nan 0.000 0.507 87 A N -2.467 120.366 122.820 0.021 0.000 2.783 87 A HA -0.051 4.268 4.320 -0.001 0.000 0.292 87 A C 1.013 178.612 177.584 0.025 0.000 1.495 87 A CA 1.585 53.635 52.037 0.021 0.000 0.787 87 A CB -1.644 17.367 19.000 0.019 0.000 1.017 87 A HN 2.298 nan 8.150 nan 0.000 0.516 88 L N 0.339 121.578 121.223 0.028 0.000 2.601 88 L HA 0.258 4.597 4.340 -0.001 0.000 0.277 88 L C 0.643 177.535 176.870 0.036 0.000 1.219 88 L CA 1.329 56.188 54.840 0.032 0.000 0.915 88 L CB 0.328 42.407 42.059 0.033 0.000 1.160 88 L HN 0.480 nan 8.230 nan 0.000 0.494 89 E N 5.481 125.709 120.200 0.046 0.000 2.174 89 E HA 0.359 4.708 4.350 -0.001 0.000 0.282 89 E C -1.362 175.285 176.600 0.079 0.000 0.992 89 E CA -0.597 55.839 56.400 0.060 0.000 0.803 89 E CB 0.698 30.442 29.700 0.073 0.000 1.090 89 E HN 0.677 nan 8.360 nan 0.000 0.396 90 L N 5.625 126.890 121.223 0.071 0.000 2.287 90 L HA 0.385 4.725 4.340 -0.001 0.000 0.287 90 L C -0.497 176.429 176.870 0.094 0.000 1.022 90 L CA -0.884 54.004 54.840 0.081 0.000 0.814 90 L CB 0.832 42.913 42.059 0.037 0.000 1.217 90 L HN 0.571 nan 8.230 nan 0.000 0.420 91 F N 4.653 124.597 119.950 -0.010 0.000 2.411 91 F HA 0.359 4.886 4.527 -0.001 0.000 0.355 91 F C 0.374 176.101 175.800 -0.122 0.000 1.117 91 F CA -0.290 57.678 58.000 -0.053 0.000 1.139 91 F CB 0.741 39.721 39.000 -0.032 0.000 1.120 91 F HN 0.343 nan 8.300 nan 0.000 0.493 92 L N 6.673 127.491 121.223 -0.676 0.000 2.965 92 L HA 0.314 4.653 4.340 -0.001 0.000 0.254 92 L C 1.388 177.736 176.870 -0.870 0.000 1.220 92 L CA 0.147 54.657 54.840 -0.549 0.000 1.023 92 L CB -0.593 41.296 42.059 -0.282 0.000 1.355 92 L HN 1.009 nan 8.230 nan 0.000 0.545 93 G N 1.843 109.809 108.800 -1.390 0.000 2.660 93 G HA2 -0.444 3.516 3.960 -0.001 0.000 0.321 93 G HA3 -0.444 3.516 3.960 -0.001 0.000 0.321 93 G C 0.540 175.165 174.900 -0.459 0.000 1.246 93 G CA 0.845 45.418 45.100 -0.878 0.000 1.000 93 G HN 0.466 nan 8.290 nan 0.000 0.550 94 N N 1.244 119.813 118.700 -0.217 0.000 2.497 94 N HA 0.534 5.273 4.740 -0.001 0.000 0.284 94 N C 0.281 175.734 175.510 -0.096 0.000 1.459 94 N CA 0.855 53.825 53.050 -0.133 0.000 0.899 94 N CB 0.153 38.603 38.487 -0.061 0.000 1.316 94 N HN 1.013 nan 8.380 nan 0.000 0.500 95 A N -0.177 122.578 122.820 -0.108 0.000 2.671 95 A HA 0.521 4.841 4.320 -0.001 0.000 0.306 95 A C 1.527 179.068 177.584 -0.072 0.000 1.473 95 A CA -0.061 51.940 52.037 -0.060 0.000 1.155 95 A CB -0.460 18.535 19.000 -0.008 0.000 1.123 95 A HN 0.350 nan 8.150 nan 0.000 0.545 96 G N 2.013 110.773 108.800 -0.067 0.000 2.459 96 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.217 96 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.217 96 G C 1.336 176.197 174.900 -0.065 0.000 1.183 96 G CA 1.358 46.420 45.100 -0.063 0.000 0.776 96 G HN 0.694 nan 8.290 nan 0.000 0.552 97 I N 1.667 122.191 120.570 -0.078 0.000 2.286 97 I HA -0.017 4.152 4.170 -0.001 0.000 0.248 97 I C 2.932 179.013 176.117 -0.061 0.000 1.115 97 I CA 1.256 62.510 61.300 -0.076 0.000 1.392 97 I CB -0.326 37.626 38.000 -0.080 0.000 1.065 97 I HN 0.194 nan 8.210 nan 0.000 0.418 98 A N -0.186 122.600 122.820 -0.056 0.000 1.873 98 A HA -0.221 4.098 4.320 -0.001 0.000 0.215 98 A C 2.319 179.870 177.584 -0.055 0.000 1.186 98 A CA 2.060 54.066 52.037 -0.053 0.000 0.616 98 A CB -0.795 18.183 19.000 -0.035 0.000 0.823 98 A HN 0.498 nan 8.150 nan 0.000 0.442 99 M N -0.490 119.076 119.600 -0.058 0.000 2.065 99 M HA -0.124 4.355 4.480 -0.001 0.000 0.259 99 M C 1.970 178.257 176.300 -0.022 0.000 1.069 99 M CA 1.852 57.122 55.300 -0.051 0.000 1.110 99 M CB -0.449 32.120 32.600 -0.052 0.000 1.328 99 M HN 0.265 nan 8.290 nan 0.000 0.405 100 R N 0.251 120.752 120.500 0.002 0.000 2.066 100 R HA -0.056 4.284 4.340 -0.001 0.000 0.232 100 R C 2.547 178.845 176.300 -0.003 0.000 1.131 100 R CA 1.914 58.041 56.100 0.045 0.000 0.955 100 R CB -1.379 28.977 30.300 0.094 0.000 0.851 100 R HN 0.724 nan 8.270 nan 0.000 0.432 101 S N 0.347 116.026 115.700 -0.036 0.000 2.368 101 S HA -0.100 4.370 4.470 -0.001 0.000 0.225 101 S C 2.001 176.555 174.600 -0.078 0.000 1.030 101 S CA 1.112 59.273 58.200 -0.065 0.000 0.999 101 S CB -0.494 62.656 63.200 -0.083 0.000 0.844 101 S HN 0.232 nan 8.310 nan 0.000 0.459 102 L N 1.224 122.405 121.223 -0.069 0.000 2.156 102 L HA 0.081 4.421 4.340 -0.001 0.000 0.208 102 L C 3.163 179.991 176.870 -0.070 0.000 1.095 102 L CA 0.870 55.667 54.840 -0.071 0.000 0.770 102 L CB -0.773 41.250 42.059 -0.059 0.000 0.914 102 L HN 0.472 nan 8.230 nan 0.000 0.439 103 A N 0.177 122.960 122.820 -0.062 0.000 1.933 103 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 103 A C 2.490 180.019 177.584 -0.092 0.000 1.175 103 A CA 1.874 53.871 52.037 -0.067 0.000 0.628 103 A CB -0.535 18.433 19.000 -0.054 0.000 0.814 103 A HN 0.404 nan 8.150 nan 0.000 0.444 104 A N -0.417 122.337 122.820 -0.110 0.000 1.874 104 A HA 0.332 4.651 4.320 -0.001 0.000 0.214 104 A C 2.514 179.988 177.584 -0.183 0.000 1.189 104 A CA 1.654 53.583 52.037 -0.179 0.000 0.615 104 A CB -1.070 17.813 19.000 -0.196 0.000 0.830 104 A HN 1.012 nan 8.150 nan 0.000 0.443 105 A N -0.028 122.710 122.820 -0.138 0.000 1.908 105 A HA -0.048 4.272 4.320 -0.001 0.000 0.218 105 A C 1.931 179.454 177.584 -0.103 0.000 1.181 105 A CA 1.464 53.431 52.037 -0.117 0.000 0.627 105 A CB -0.673 18.264 19.000 -0.104 0.000 0.818 105 A HN 0.464 nan 8.150 nan 0.000 0.445 106 L N -0.687 120.481 121.223 -0.092 0.000 2.622 106 L HA -0.087 4.252 4.340 -0.001 0.000 0.233 106 L C 1.471 178.319 176.870 -0.037 0.000 1.156 106 L CA -0.119 54.676 54.840 -0.076 0.000 0.866 106 L CB -0.454 41.569 42.059 -0.059 0.000 0.980 106 L HN 0.443 nan 8.230 nan 0.000 0.448 107 C N -0.151 119.127 119.300 -0.036 0.000 2.626 107 C HA 0.168 4.627 4.460 -0.001 0.000 0.266 107 C C 1.337 176.386 174.990 0.098 0.000 1.317 107 C CA -0.629 58.405 59.018 0.026 0.000 1.716 107 C CB -0.911 26.839 27.740 0.016 0.000 1.819 107 C HN 0.247 nan 8.230 nan 0.000 0.578 108 L N 1.348 122.610 121.223 0.064 0.000 2.360 108 L HA 0.484 4.823 4.340 -0.001 0.000 0.276 108 L C 1.222 178.197 176.870 0.176 0.000 1.121 108 L CA 1.007 55.920 54.840 0.121 0.000 0.845 108 L CB -0.052 42.046 42.059 0.065 0.000 1.143 108 L HN 0.554 nan 8.230 nan 0.000 0.452 109 G N 3.162 112.077 108.800 0.192 0.000 2.528 109 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.262 109 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.262 109 G C -0.211 174.785 174.900 0.160 0.000 1.200 109 G CA -0.083 45.141 45.100 0.206 0.000 0.951 109 G HN 0.883 nan 8.290 nan 0.000 0.566 110 S N 0.386 116.164 115.700 0.129 0.000 2.593 110 S HA 0.853 5.322 4.470 -0.001 0.000 0.297 110 S C -0.290 174.397 174.600 0.144 0.000 1.112 110 S CA -0.071 58.175 58.200 0.076 0.000 1.043 110 S CB 2.434 65.636 63.200 0.002 0.000 1.054 110 S HN 1.277 nan 8.310 nan 0.000 0.516 111 N N -0.082 118.681 118.700 0.104 0.000 3.533 111 N HA 0.383 5.122 4.740 -0.001 0.000 0.229 111 N C -2.588 172.956 175.510 0.058 0.000 1.418 111 N CA -0.335 52.784 53.050 0.114 0.000 0.880 111 N CB 1.966 40.529 38.487 0.126 0.000 1.415 111 N HN 0.805 nan 8.380 nan 0.000 0.491 112 D N 1.341 121.769 120.400 0.047 0.000 2.337 112 D HA 0.490 5.130 4.640 -0.001 0.000 0.238 112 D C -1.295 175.020 176.300 0.026 0.000 1.331 112 D CA 0.012 54.028 54.000 0.028 0.000 0.967 112 D CB 0.073 40.887 40.800 0.022 0.000 1.382 112 D HN 0.460 nan 8.370 nan 0.000 0.549 113 I N 1.635 122.216 120.570 0.018 0.000 2.686 113 I HA 0.436 4.606 4.170 -0.001 0.000 0.295 113 I C -0.490 175.631 176.117 0.006 0.000 1.114 113 I CA -1.140 60.169 61.300 0.016 0.000 1.038 113 I CB 2.692 40.699 38.000 0.013 0.000 1.238 113 I HN -0.047 nan 8.210 nan 0.000 0.420 114 V N 6.280 126.202 119.914 0.013 0.000 2.417 114 V HA 0.467 4.586 4.120 -0.001 0.000 0.291 114 V C -0.219 175.880 176.094 0.008 0.000 1.024 114 V CA -0.540 61.767 62.300 0.011 0.000 0.861 114 V CB 1.799 33.636 31.823 0.024 0.000 0.985 114 V HN 0.419 nan 8.190 nan 0.000 0.436 115 L N 4.505 125.723 121.223 -0.007 0.000 2.307 115 L HA 0.754 5.093 4.340 -0.001 0.000 0.284 115 L C 0.126 176.976 176.870 -0.034 0.000 1.023 115 L CA 0.062 54.887 54.840 -0.025 0.000 0.810 115 L CB 1.864 43.899 42.059 -0.040 0.000 1.231 115 L HN 0.732 nan 8.230 nan 0.000 0.423 116 T N 1.157 115.667 114.554 -0.073 0.000 2.647 116 T HA 0.886 5.235 4.350 -0.001 0.000 0.295 116 T C -0.521 173.966 174.700 -0.355 0.000 1.126 116 T CA 0.124 62.160 62.100 -0.107 0.000 1.040 116 T CB 2.142 71.013 68.868 0.006 0.000 1.472 116 T HN 0.839 nan 8.240 nan 0.000 0.500 117 G N -0.031 108.501 108.800 -0.448 0.000 2.500 117 G HA2 0.497 4.456 3.960 -0.001 0.000 0.299 117 G HA3 0.497 4.456 3.960 -0.001 0.000 0.299 117 G C -1.438 173.157 174.900 -0.507 0.000 1.242 117 G CA -0.663 43.871 45.100 -0.944 0.000 0.859 117 G HN 0.760 nan 8.290 nan 0.000 0.481 118 E N 0.645 120.632 120.200 -0.354 0.000 2.409 118 E HA 0.200 4.549 4.350 -0.001 0.000 0.257 118 E C -1.475 175.121 176.600 -0.007 0.000 1.150 118 E CA -1.283 55.118 56.400 0.003 0.000 0.942 118 E CB 1.195 30.910 29.700 0.025 0.000 0.979 118 E HN 0.067 nan 8.360 nan 0.000 0.447 119 P HA -0.227 nan 4.420 nan 0.000 0.216 119 P C 1.190 178.482 177.300 -0.014 0.000 1.154 119 P CA 1.404 64.510 63.100 0.010 0.000 0.865 119 P CB 0.169 31.879 31.700 0.017 0.000 0.789 120 R N -0.553 119.941 120.500 -0.010 0.000 2.120 120 R HA -0.106 4.233 4.340 -0.001 0.000 0.234 120 R C 2.066 178.355 176.300 -0.019 0.000 1.123 120 R CA 1.520 57.612 56.100 -0.013 0.000 0.975 120 R CB -1.531 28.771 30.300 0.003 0.000 0.866 120 R HN 0.061 nan 8.270 nan 0.000 0.446 121 M N 0.718 120.294 119.600 -0.039 0.000 2.279 121 M HA -0.065 4.414 4.480 -0.001 0.000 0.264 121 M C 1.041 177.344 176.300 0.005 0.000 1.062 121 M CA 1.772 57.048 55.300 -0.040 0.000 1.099 121 M CB -0.022 32.507 32.600 -0.119 0.000 1.394 121 M HN 0.055 nan 8.290 nan 0.000 0.426 122 K N -0.157 120.238 120.400 -0.008 0.000 2.525 122 K HA -0.037 4.282 4.320 -0.001 0.000 0.192 122 K C 0.785 177.361 176.600 -0.041 0.000 1.029 122 K CA 0.756 57.052 56.287 0.015 0.000 1.029 122 K CB -0.026 32.468 32.500 -0.010 0.000 0.814 122 K HN 0.554 nan 8.250 nan 0.000 0.503 123 E N 0.268 120.436 120.200 -0.053 0.000 2.526 123 E HA 0.077 4.427 4.350 -0.001 0.000 0.208 123 E C -0.258 176.384 176.600 0.071 0.000 0.997 123 E CA -0.131 56.163 56.400 -0.176 0.000 0.961 123 E CB 0.705 30.321 29.700 -0.140 0.000 1.030 123 E HN 0.090 nan 8.360 nan 0.000 0.483 124 R N 2.842 123.469 120.500 0.211 0.000 2.265 124 R HA 0.234 4.573 4.340 -0.001 0.000 0.319 124 R C -2.419 174.073 176.300 0.319 0.000 1.006 124 R CA -2.011 54.226 56.100 0.228 0.000 0.880 124 R CB 0.754 31.116 30.300 0.104 0.000 1.077 124 R HN -0.036 nan 8.270 nan 0.000 0.454 125 P HA -0.042 nan 4.420 nan 0.000 0.266 125 P C -0.160 177.136 177.300 -0.006 0.000 1.195 125 P CA 0.454 63.485 63.100 -0.115 0.000 0.768 125 P CB 1.034 32.688 31.700 -0.077 0.000 0.838 126 I N 0.944 121.353 120.570 -0.270 0.000 4.665 126 I HA 0.174 4.343 4.170 -0.001 0.000 0.360 126 I C 1.797 177.639 176.117 -0.460 0.000 1.259 126 I CA 0.111 61.234 61.300 -0.295 0.000 1.301 126 I CB 0.158 38.122 38.000 -0.060 0.000 1.746 126 I HN 0.400 nan 8.210 nan 0.000 0.598 127 G N 0.249 108.788 108.800 -0.435 0.000 2.442 127 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.219 127 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.219 127 G C 1.194 175.962 174.900 -0.219 0.000 1.141 127 G CA 1.425 46.380 45.100 -0.243 0.000 0.763 127 G HN 0.549 nan 8.290 nan 0.000 0.554 128 H N -0.902 117.876 119.070 -0.486 0.000 2.387 128 H HA -0.029 4.526 4.556 -0.001 0.000 0.299 128 H C 2.418 177.472 175.328 -0.456 0.000 1.090 128 H CA 0.785 56.592 56.048 -0.402 0.000 1.332 128 H CB 0.108 29.703 29.762 -0.279 0.000 1.386 128 H HN 0.320 nan 8.280 nan 0.000 0.516 129 L N 0.501 121.304 121.223 -0.698 0.000 2.072 129 L HA -0.091 4.248 4.340 -0.001 0.000 0.205 129 L C 2.183 178.943 176.870 -0.183 0.000 1.079 129 L CA 1.048 55.664 54.840 -0.373 0.000 0.752 129 L CB -0.446 41.383 42.059 -0.384 0.000 0.906 129 L HN 0.021 nan 8.230 nan 0.000 0.436 130 V N 0.235 120.040 119.914 -0.182 0.000 2.332 130 V HA -0.297 3.822 4.120 -0.001 0.000 0.248 130 V C 2.303 178.369 176.094 -0.046 0.000 1.055 130 V CA 1.960 64.194 62.300 -0.109 0.000 1.038 130 V CB -0.827 30.932 31.823 -0.107 0.000 0.651 130 V HN 0.458 nan 8.190 nan 0.000 0.450 131 D N 0.465 120.853 120.400 -0.020 0.000 2.104 131 D HA -0.157 4.482 4.640 -0.001 0.000 0.194 131 D C 2.238 178.553 176.300 0.026 0.000 0.994 131 D CA 1.780 55.790 54.000 0.016 0.000 0.830 131 D CB -0.415 40.402 40.800 0.028 0.000 0.959 131 D HN 0.452 nan 8.370 nan 0.000 0.452 132 A N 0.675 123.507 122.820 0.021 0.000 1.877 132 A HA -0.124 4.195 4.320 -0.001 0.000 0.216 132 A C 2.441 180.104 177.584 0.132 0.000 1.186 132 A CA 0.992 53.069 52.037 0.067 0.000 0.620 132 A CB -0.859 18.175 19.000 0.056 0.000 0.822 132 A HN 0.209 nan 8.150 nan 0.000 0.443 133 L N -1.151 120.127 121.223 0.092 0.000 2.083 133 L HA -0.199 4.140 4.340 -0.001 0.000 0.209 133 L C 2.864 179.869 176.870 0.225 0.000 1.083 133 L CA 1.503 56.453 54.840 0.184 0.000 0.752 133 L CB -0.442 41.629 42.059 0.020 0.000 0.899 133 L HN 0.352 nan 8.230 nan 0.000 0.433 134 R N -0.139 120.417 120.500 0.094 0.000 2.092 134 R HA -0.096 4.243 4.340 -0.001 0.000 0.231 134 R C 2.269 178.601 176.300 0.052 0.000 1.119 134 R CA 1.025 57.160 56.100 0.058 0.000 0.970 134 R CB -0.303 30.009 30.300 0.019 0.000 0.864 134 R HN 0.318 nan 8.270 nan 0.000 0.440 135 L N -0.528 120.732 121.223 0.063 0.000 2.191 135 L HA -0.078 4.262 4.340 -0.001 0.000 0.212 135 L C 2.186 179.055 176.870 -0.002 0.000 1.103 135 L CA 1.142 56.003 54.840 0.035 0.000 0.769 135 L CB -0.375 41.712 42.059 0.047 0.000 0.908 135 L HN 0.348 nan 8.230 nan 0.000 0.438 136 G N -1.582 107.234 108.800 0.026 0.000 2.985 136 G HA2 0.273 4.232 3.960 -0.001 0.000 0.209 136 G HA3 0.273 4.232 3.960 -0.001 0.000 0.209 136 G C 1.187 175.873 174.900 -0.357 0.000 1.165 136 G CA 0.550 45.486 45.100 -0.272 0.000 0.776 136 G HN 0.501 nan 8.290 nan 0.000 0.541 137 G N -1.391 107.350 108.800 -0.099 0.000 2.211 137 G HA2 0.149 4.109 3.960 -0.001 0.000 0.201 137 G HA3 0.149 4.109 3.960 -0.001 0.000 0.201 137 G C 0.569 175.479 174.900 0.016 0.000 0.997 137 G CA 0.111 45.170 45.100 -0.069 0.000 0.652 137 G HN 1.232 nan 8.290 nan 0.000 0.500 138 A N 0.321 123.206 122.820 0.107 0.000 2.445 138 A HA 0.589 4.908 4.320 -0.001 0.000 0.242 138 A C 0.515 178.121 177.584 0.036 0.000 1.075 138 A CA 0.910 53.012 52.037 0.108 0.000 0.777 138 A CB 0.450 19.543 19.000 0.156 0.000 1.013 138 A HN 0.639 nan 8.150 nan 0.000 0.493 139 K N 2.151 122.561 120.400 0.017 0.000 2.263 139 K HA 0.623 4.942 4.320 -0.001 0.000 0.272 139 K C -1.468 175.107 176.600 -0.043 0.000 1.033 139 K CA -0.162 56.117 56.287 -0.013 0.000 0.884 139 K CB 0.360 32.856 32.500 -0.006 0.000 1.107 139 K HN 0.636 nan 8.250 nan 0.000 0.460 140 I N 2.947 123.463 120.570 -0.089 0.000 2.569 140 I HA 0.218 4.387 4.170 -0.001 0.000 0.290 140 I C -0.798 175.182 176.117 -0.229 0.000 1.088 140 I CA -0.790 60.410 61.300 -0.166 0.000 1.047 140 I CB 2.643 40.505 38.000 -0.229 0.000 1.237 140 I HN 0.530 nan 8.210 nan 0.000 0.421 141 T N 4.339 118.763 114.554 -0.215 0.000 2.824 141 T HA 0.467 4.816 4.350 -0.001 0.000 0.282 141 T C -0.898 173.690 174.700 -0.186 0.000 0.993 141 T CA -0.476 61.521 62.100 -0.173 0.000 0.967 141 T CB 0.708 69.542 68.868 -0.057 0.000 0.960 141 T HN 0.124 nan 8.240 nan 0.000 0.441 142 Y N 2.776 123.078 120.300 0.003 0.000 2.393 142 Y HA 0.263 4.812 4.550 -0.001 0.000 0.338 142 Y C 1.308 177.219 175.900 0.018 0.000 1.029 142 Y CA -0.821 57.285 58.100 0.011 0.000 1.239 142 Y CB 0.379 38.848 38.460 0.015 0.000 1.170 142 Y HN 0.569 nan 8.280 nan 0.000 0.515 143 L N 1.660 122.980 121.223 0.161 0.000 2.418 143 L HA 0.053 4.392 4.340 -0.001 0.000 0.218 143 L C 0.999 177.927 176.870 0.096 0.000 1.125 143 L CA 0.923 55.823 54.840 0.101 0.000 0.835 143 L CB 0.129 42.228 42.059 0.068 0.000 0.953 143 L HN 0.724 nan 8.230 nan 0.000 0.454 144 E N -1.237 119.034 120.200 0.119 0.000 3.859 144 E HA 0.105 4.454 4.350 -0.001 0.000 0.231 144 E C -0.338 176.305 176.600 0.072 0.000 1.100 144 E CA -0.625 55.822 56.400 0.078 0.000 0.872 144 E CB 0.329 30.063 29.700 0.057 0.000 2.962 144 E HN -0.109 nan 8.360 nan 0.000 0.546 145 Q N 2.137 121.972 119.800 0.058 0.000 2.304 145 Q HA 0.072 4.412 4.340 -0.001 0.000 0.260 145 Q C -1.012 174.984 176.000 -0.007 0.000 0.965 145 Q CA 0.153 55.980 55.803 0.039 0.000 0.898 145 Q CB 1.049 29.788 28.738 0.001 0.000 1.196 145 Q HN 0.108 nan 8.270 nan 0.000 0.402 146 E N 3.462 123.579 120.200 -0.138 0.000 2.452 146 E HA -0.043 4.306 4.350 -0.001 0.000 0.261 146 E C -0.387 175.799 176.600 -0.690 0.000 0.987 146 E CA 0.764 56.827 56.400 -0.561 0.000 0.926 146 E CB 0.160 29.684 29.700 -0.292 0.000 0.934 146 E HN 0.722 nan 8.360 nan 0.000 0.452 147 N N 1.600 119.352 118.700 -1.580 0.000 2.979 147 N HA -0.215 4.525 4.740 -0.001 0.000 0.234 147 N C -1.366 173.549 175.510 -0.993 0.000 0.938 147 N CA 1.083 53.509 53.050 -1.040 0.000 0.961 147 N CB -1.615 36.412 38.487 -0.766 0.000 1.089 147 N HN 0.420 nan 8.380 nan 0.000 0.576 148 Y N -0.725 119.433 120.300 -0.236 0.000 2.581 148 Y HA 0.569 5.118 4.550 -0.001 0.000 0.345 148 Y C -2.248 173.718 175.900 0.111 0.000 1.036 148 Y CA -1.987 56.103 58.100 -0.018 0.000 1.042 148 Y CB 1.396 39.823 38.460 -0.055 0.000 1.289 148 Y HN -0.262 nan 8.280 nan 0.000 0.471 149 P HA 0.105 nan 4.420 nan 0.000 0.272 149 P C -2.600 174.785 177.300 0.143 0.000 1.240 149 P CA -1.043 62.144 63.100 0.145 0.000 0.791 149 P CB 0.095 31.833 31.700 0.064 0.000 0.978 150 P HA 0.219 nan 4.420 nan 0.000 0.277 150 P C -1.015 176.335 177.300 0.085 0.000 1.240 150 P CA 0.242 63.383 63.100 0.068 0.000 0.798 150 P CB 0.797 32.526 31.700 0.049 0.000 0.979 151 L N 1.571 122.811 121.223 0.028 0.000 2.354 151 L HA 0.589 4.929 4.340 -0.001 0.000 0.269 151 L C 0.662 177.513 176.870 -0.032 0.000 1.005 151 L CA -0.936 53.888 54.840 -0.026 0.000 0.819 151 L CB 2.467 44.481 42.059 -0.074 0.000 1.311 151 L HN 0.340 nan 8.230 nan 0.000 0.423 152 R N 2.726 123.195 120.500 -0.052 0.000 2.310 152 R HA 0.607 4.947 4.340 -0.001 0.000 0.324 152 R C -1.503 174.765 176.300 -0.052 0.000 0.955 152 R CA -0.542 55.538 56.100 -0.033 0.000 0.830 152 R CB 0.889 31.178 30.300 -0.018 0.000 1.154 152 R HN 0.578 nan 8.270 nan 0.000 0.458 153 L N 4.912 126.114 121.223 -0.036 0.000 2.272 153 L HA 0.357 4.696 4.340 -0.001 0.000 0.289 153 L C 0.515 177.381 176.870 -0.007 0.000 1.032 153 L CA -0.286 54.535 54.840 -0.032 0.000 0.810 153 L CB 1.825 43.866 42.059 -0.029 0.000 1.205 153 L HN 0.657 nan 8.230 nan 0.000 0.422 154 Q N 2.561 122.358 119.800 -0.004 0.000 2.157 154 Q HA 0.311 4.650 4.340 -0.001 0.000 0.229 154 Q C 0.716 176.734 176.000 0.030 0.000 0.827 154 Q CA 0.007 55.818 55.803 0.013 0.000 1.055 154 Q CB 1.454 30.194 28.738 0.004 0.000 1.157 154 Q HN 0.970 nan 8.270 nan 0.000 0.482 155 G N 0.160 108.984 108.800 0.041 0.000 2.693 155 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.226 155 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.226 155 G C 0.503 175.447 174.900 0.073 0.000 1.354 155 G CA -0.222 44.920 45.100 0.070 0.000 0.873 155 G HN 0.746 nan 8.290 nan 0.000 0.562 156 G N -2.142 106.713 108.800 0.091 0.000 2.179 156 G HA2 0.108 4.068 3.960 -0.001 0.000 0.220 156 G HA3 0.108 4.068 3.960 -0.001 0.000 0.220 156 G C 0.453 175.402 174.900 0.082 0.000 0.990 156 G CA 0.525 45.666 45.100 0.068 0.000 0.646 156 G HN 2.023 nan 8.290 nan 0.000 0.517 157 F N 3.303 123.257 119.950 0.006 0.000 2.502 157 F HA 0.478 5.005 4.527 -0.001 0.000 0.371 157 F C 1.641 177.447 175.800 0.011 0.000 1.083 157 F CA 1.152 59.155 58.000 0.004 0.000 1.174 157 F CB 1.127 40.128 39.000 0.001 0.000 1.096 157 F HN 0.128 nan 8.300 nan 0.000 0.545 158 T N 1.774 116.034 114.554 -0.489 0.000 2.971 158 T HA 0.604 4.954 4.350 -0.001 0.000 0.252 158 T C 0.873 175.326 174.700 -0.411 0.000 1.022 158 T CA 0.212 62.133 62.100 -0.299 0.000 0.980 158 T CB -0.069 68.691 68.868 -0.180 0.000 1.044 158 T HN 1.146 nan 8.240 nan 0.000 0.501 159 G N -0.045 108.230 108.800 -0.875 0.000 2.337 159 G HA2 0.439 4.398 3.960 -0.001 0.000 0.197 159 G HA3 0.439 4.398 3.960 -0.001 0.000 0.197 159 G C 0.126 174.822 174.900 -0.341 0.000 1.238 159 G CA -0.156 44.633 45.100 -0.519 0.000 1.119 159 G HN 1.772 nan 8.290 nan 0.000 0.514 160 G N -0.915 107.802 108.800 -0.138 0.000 2.500 160 G HA2 0.235 4.194 3.960 -0.001 0.000 0.209 160 G HA3 0.235 4.194 3.960 -0.001 0.000 0.209 160 G C -0.585 174.301 174.900 -0.023 0.000 1.283 160 G CA 0.313 45.364 45.100 -0.083 0.000 0.960 160 G HN 1.657 nan 8.290 nan 0.000 0.528 161 N N 0.110 118.803 118.700 -0.011 0.000 2.422 161 N HA 0.498 5.238 4.740 -0.001 0.000 0.264 161 N C -0.437 175.095 175.510 0.037 0.000 1.063 161 N CA -0.022 53.041 53.050 0.022 0.000 0.959 161 N CB 1.657 40.154 38.487 0.017 0.000 1.087 161 N HN 0.601 nan 8.380 nan 0.000 0.483 162 V N 2.603 122.562 119.914 0.075 0.000 2.483 162 V HA 0.239 4.358 4.120 -0.001 0.000 0.297 162 V C -0.436 175.716 176.094 0.096 0.000 1.027 162 V CA -0.916 61.444 62.300 0.099 0.000 0.855 162 V CB 2.082 34.008 31.823 0.172 0.000 0.995 162 V HN 0.478 nan 8.190 nan 0.000 0.424 163 D N 2.666 123.111 120.400 0.075 0.000 2.193 163 D HA 0.620 5.260 4.640 -0.001 0.000 0.249 163 D C -0.667 175.672 176.300 0.066 0.000 1.034 163 D CA -0.050 53.991 54.000 0.068 0.000 0.902 163 D CB 2.662 43.488 40.800 0.043 0.000 1.182 163 D HN 0.338 nan 8.370 nan 0.000 0.436 164 V N 1.393 121.350 119.914 0.073 0.000 2.808 164 V HA 0.185 4.305 4.120 -0.001 0.000 0.308 164 V C -1.375 174.750 176.094 0.051 0.000 1.099 164 V CA -0.818 61.522 62.300 0.068 0.000 0.920 164 V CB 2.397 34.283 31.823 0.105 0.000 1.014 164 V HN 0.426 nan 8.190 nan 0.000 0.425 165 D N 3.799 124.188 120.400 -0.019 0.000 2.312 165 D HA 0.414 5.053 4.640 -0.001 0.000 0.252 165 D C 0.710 177.071 176.300 0.101 0.000 1.150 165 D CA 0.674 54.612 54.000 -0.104 0.000 0.870 165 D CB 1.951 42.377 40.800 -0.623 0.000 1.153 165 D HN 0.788 nan 8.370 nan 0.000 0.457 166 G N 1.442 110.310 108.800 0.113 0.000 3.453 166 G HA2 -0.057 3.903 3.960 -0.001 0.000 0.263 166 G HA3 -0.057 3.903 3.960 -0.001 0.000 0.263 166 G C 1.210 176.201 174.900 0.150 0.000 1.060 166 G CA 0.257 45.454 45.100 0.163 0.000 0.793 166 G HN 0.469 nan 8.290 nan 0.000 0.532 167 S N -0.507 115.282 115.700 0.148 0.000 2.489 167 S HA 0.038 4.508 4.470 -0.001 0.000 0.228 167 S C 1.830 176.553 174.600 0.205 0.000 0.995 167 S CA 0.981 59.269 58.200 0.146 0.000 0.934 167 S CB 0.228 63.490 63.200 0.103 0.000 0.771 167 S HN 0.027 nan 8.310 nan 0.000 0.522 168 V N -0.162 119.929 119.914 0.294 0.000 2.908 168 V HA 0.379 4.499 4.120 -0.001 0.000 0.240 168 V C 0.844 176.985 176.094 0.079 0.000 1.117 168 V CA 0.784 63.252 62.300 0.281 0.000 1.133 168 V CB 0.652 32.707 31.823 0.387 0.000 0.857 168 V HN 0.524 nan 8.190 nan 0.000 0.478 169 S N -0.812 114.832 115.700 -0.093 0.000 2.546 169 S HA 0.318 4.788 4.470 -0.001 0.000 0.272 169 S C 0.822 175.193 174.600 -0.382 0.000 1.140 169 S CA 0.149 58.088 58.200 -0.435 0.000 0.920 169 S CB 2.012 64.577 63.200 -1.059 0.000 1.083 169 S HN 0.387 nan 8.310 nan 0.000 0.476 170 S N 3.545 119.111 115.700 -0.223 0.000 2.489 170 S HA -0.043 4.427 4.470 -0.001 0.000 0.228 170 S C 1.356 175.858 174.600 -0.162 0.000 0.995 170 S CA 0.430 58.570 58.200 -0.100 0.000 0.934 170 S CB -0.380 62.830 63.200 0.016 0.000 0.771 170 S HN 0.788 nan 8.310 nan 0.000 0.522 171 Q N -0.033 119.570 119.800 -0.329 0.000 2.226 171 Q HA -0.050 4.290 4.340 -0.001 0.000 0.204 171 Q C 1.333 177.291 176.000 -0.070 0.000 0.975 171 Q CA 1.330 56.990 55.803 -0.239 0.000 0.866 171 Q CB -0.385 28.182 28.738 -0.286 0.000 0.915 171 Q HN 0.637 nan 8.270 nan 0.000 0.440 172 F N 0.235 120.179 119.950 -0.010 0.000 2.113 172 F HA -0.173 4.354 4.527 -0.001 0.000 0.297 172 F C 2.068 177.846 175.800 -0.037 0.000 1.103 172 F CA 0.531 58.525 58.000 -0.010 0.000 1.248 172 F CB -1.080 37.946 39.000 0.043 0.000 0.999 172 F HN 0.098 nan 8.300 nan 0.000 0.475 173 L N -0.083 121.219 121.223 0.132 0.000 2.046 173 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 173 L C 2.256 179.078 176.870 -0.080 0.000 1.077 173 L CA 2.061 56.896 54.840 -0.008 0.000 0.747 173 L CB -1.419 40.608 42.059 -0.053 0.000 0.896 173 L HN 0.122 nan 8.230 nan 0.000 0.432 174 T N -0.087 114.434 114.554 -0.054 0.000 2.684 174 T HA -0.210 4.139 4.350 -0.001 0.000 0.267 174 T C 1.889 176.553 174.700 -0.060 0.000 1.036 174 T CA 1.556 63.620 62.100 -0.060 0.000 1.148 174 T CB -0.493 68.353 68.868 -0.036 0.000 0.863 174 T HN 0.575 nan 8.240 nan 0.000 0.436 175 A N 0.912 123.711 122.820 -0.035 0.000 1.902 175 A HA -0.011 4.308 4.320 -0.001 0.000 0.217 175 A C 2.292 179.818 177.584 -0.096 0.000 1.181 175 A CA 1.301 53.306 52.037 -0.053 0.000 0.623 175 A CB -0.808 18.184 19.000 -0.013 0.000 0.818 175 A HN 0.499 nan 8.150 nan 0.000 0.443 176 L N -0.734 120.434 121.223 -0.092 0.000 2.056 176 L HA -0.166 4.174 4.340 -0.001 0.000 0.207 176 L C 2.573 179.380 176.870 -0.105 0.000 1.078 176 L CA 1.004 55.763 54.840 -0.135 0.000 0.749 176 L CB -0.542 41.472 42.059 -0.075 0.000 0.901 176 L HN 0.365 nan 8.230 nan 0.000 0.433 177 L N -0.959 120.203 121.223 -0.102 0.000 2.042 177 L HA -0.249 4.091 4.340 -0.001 0.000 0.210 177 L C 2.643 179.513 176.870 -0.001 0.000 1.076 177 L CA 1.445 56.239 54.840 -0.076 0.000 0.749 177 L CB -0.368 41.606 42.059 -0.142 0.000 0.893 177 L HN 0.328 nan 8.230 nan 0.000 0.432 178 M N -1.470 118.123 119.600 -0.011 0.000 2.319 178 M HA -0.129 4.351 4.480 -0.001 0.000 0.265 178 M C 2.126 178.485 176.300 0.099 0.000 1.068 178 M CA 1.462 56.793 55.300 0.051 0.000 1.118 178 M CB -0.437 32.126 32.600 -0.061 0.000 1.395 178 M HN 0.211 nan 8.290 nan 0.000 0.435 179 T N 0.667 115.209 114.554 -0.019 0.000 2.894 179 T HA 0.069 4.418 4.350 -0.001 0.000 0.258 179 T C 1.961 176.656 174.700 -0.008 0.000 1.043 179 T CA 1.198 63.263 62.100 -0.058 0.000 1.141 179 T CB -0.171 68.549 68.868 -0.247 0.000 0.873 179 T HN 0.444 nan 8.240 nan 0.000 0.449 180 A N 2.277 125.098 122.820 0.001 0.000 1.948 180 A HA -0.067 4.252 4.320 -0.001 0.000 0.220 180 A C 0.032 177.684 177.584 0.114 0.000 1.177 180 A CA 1.462 53.582 52.037 0.139 0.000 0.636 180 A CB -1.619 17.471 19.000 0.150 0.000 0.815 180 A HN 0.372 nan 8.150 nan 0.000 0.449 181 P HA -0.109 nan 4.420 nan 0.000 0.219 181 P C 1.035 178.303 177.300 -0.052 0.000 1.146 181 P CA 0.844 63.919 63.100 -0.042 0.000 0.808 181 P CB -0.092 31.503 31.700 -0.176 0.000 0.779 182 L N -2.526 118.691 121.223 -0.011 0.000 2.591 182 L HA 0.203 4.543 4.340 -0.001 0.000 0.228 182 L C 1.154 178.071 176.870 0.078 0.000 1.133 182 L CA -0.444 54.407 54.840 0.018 0.000 0.880 182 L CB -0.679 41.408 42.059 0.048 0.000 1.033 182 L HN -0.119 nan 8.230 nan 0.000 0.450 183 A N 1.346 124.242 122.820 0.127 0.000 2.407 183 A HA 0.282 4.602 4.320 -0.001 0.000 0.248 183 A C -1.188 176.441 177.584 0.074 0.000 1.082 183 A CA -1.049 51.085 52.037 0.162 0.000 0.785 183 A CB -0.014 19.151 19.000 0.275 0.000 1.020 183 A HN -0.030 nan 8.150 nan 0.000 0.489 184 P HA -0.073 nan 4.420 nan 0.000 0.217 184 P C 0.095 177.396 177.300 0.002 0.000 1.150 184 P CA 1.164 64.275 63.100 0.019 0.000 0.832 184 P CB 0.200 31.907 31.700 0.011 0.000 0.787 185 E N 0.528 120.718 120.200 -0.016 0.000 2.232 185 E HA 0.225 4.575 4.350 -0.001 0.000 0.265 185 E C -0.173 176.423 176.600 -0.008 0.000 1.001 185 E CA -0.761 55.623 56.400 -0.025 0.000 0.870 185 E CB 0.446 30.111 29.700 -0.058 0.000 1.175 185 E HN 0.027 nan 8.360 nan 0.000 0.407 186 D N 0.790 121.188 120.400 -0.003 0.000 2.382 186 D HA 0.218 4.858 4.640 -0.001 0.000 0.240 186 D C -0.412 175.900 176.300 0.021 0.000 1.146 186 D CA 0.458 54.467 54.000 0.016 0.000 0.897 186 D CB 0.669 41.477 40.800 0.013 0.000 1.197 186 D HN 0.113 nan 8.370 nan 0.000 0.432 187 T N 0.365 114.953 114.554 0.056 0.000 2.861 187 T HA 0.462 4.811 4.350 -0.001 0.000 0.287 187 T C -0.504 174.253 174.700 0.094 0.000 1.003 187 T CA -0.667 61.483 62.100 0.082 0.000 0.977 187 T CB 1.641 70.609 68.868 0.168 0.000 0.996 187 T HN -0.022 nan 8.240 nan 0.000 0.448 188 V N 4.245 124.213 119.914 0.089 0.000 2.376 188 V HA 0.458 4.577 4.120 -0.001 0.000 0.287 188 V C -0.344 175.827 176.094 0.128 0.000 1.015 188 V CA -0.744 61.616 62.300 0.099 0.000 0.834 188 V CB 1.078 32.941 31.823 0.065 0.000 1.001 188 V HN 0.788 nan 8.190 nan 0.000 0.428 189 I N 5.618 126.296 120.570 0.180 0.000 2.304 189 I HA 0.502 4.671 4.170 -0.001 0.000 0.291 189 I C 0.283 176.540 176.117 0.233 0.000 1.018 189 I CA -0.326 61.094 61.300 0.201 0.000 1.260 189 I CB 0.931 39.054 38.000 0.205 0.000 1.390 189 I HN 0.385 nan 8.210 nan 0.000 0.475 190 R N 7.227 127.828 120.500 0.168 0.000 2.343 190 R HA 0.433 4.772 4.340 -0.001 0.000 0.320 190 R C -0.857 175.534 176.300 0.152 0.000 0.956 190 R CA -0.902 55.286 56.100 0.146 0.000 0.836 190 R CB 1.164 31.518 30.300 0.091 0.000 1.151 190 R HN 0.452 nan 8.270 nan 0.000 0.450 191 I N 5.553 126.233 120.570 0.182 0.000 2.471 191 I HA 0.055 4.224 4.170 -0.001 0.000 0.286 191 I C 1.602 177.780 176.117 0.102 0.000 1.079 191 I CA 0.073 61.473 61.300 0.167 0.000 1.398 191 I CB 0.948 39.083 38.000 0.225 0.000 1.403 191 I HN 0.514 nan 8.210 nan 0.000 0.530 192 K N 3.798 124.239 120.400 0.068 0.000 2.026 192 K HA -0.071 4.249 4.320 -0.001 0.000 0.208 192 K C 1.285 177.906 176.600 0.036 0.000 1.048 192 K CA 1.452 57.760 56.287 0.035 0.000 0.929 192 K CB 0.172 32.670 32.500 -0.003 0.000 0.713 192 K HN 0.919 nan 8.250 nan 0.000 0.439 193 G N -0.150 108.677 108.800 0.045 0.000 3.551 193 G HA2 0.036 3.996 3.960 -0.001 0.000 0.174 193 G HA3 0.036 3.996 3.960 -0.001 0.000 0.174 193 G C -1.233 173.705 174.900 0.062 0.000 1.280 193 G CA -0.518 44.608 45.100 0.044 0.000 1.236 193 G HN -0.013 nan 8.290 nan 0.000 0.731 194 D N 0.474 120.907 120.400 0.056 0.000 2.362 194 D HA 0.482 5.122 4.640 -0.001 0.000 0.242 194 D C -0.557 175.797 176.300 0.090 0.000 1.132 194 D CA 0.162 54.202 54.000 0.067 0.000 0.907 194 D CB 1.985 42.819 40.800 0.057 0.000 1.195 194 D HN 0.220 nan 8.370 nan 0.000 0.429 195 L N 2.556 123.836 121.223 0.096 0.000 2.372 195 L HA 0.337 4.677 4.340 -0.001 0.000 0.274 195 L C -0.665 176.261 176.870 0.094 0.000 0.988 195 L CA -0.816 54.092 54.840 0.115 0.000 0.833 195 L CB 1.351 43.504 42.059 0.155 0.000 1.236 195 L HN 0.212 nan 8.230 nan 0.000 0.410 196 V N 1.684 121.656 119.914 0.097 0.000 3.134 196 V HA 0.636 4.755 4.120 -0.001 0.000 0.313 196 V C 0.809 176.967 176.094 0.106 0.000 1.069 196 V CA -0.123 62.235 62.300 0.096 0.000 1.048 196 V CB 1.149 33.033 31.823 0.101 0.000 1.119 196 V HN 0.913 nan 8.190 nan 0.000 0.461 197 S N -0.206 115.575 115.700 0.135 0.000 3.549 197 S HA -0.234 4.236 4.470 -0.001 0.000 0.366 197 S C 1.287 176.018 174.600 0.218 0.000 1.012 197 S CA 1.343 59.675 58.200 0.220 0.000 1.141 197 S CB -1.489 61.846 63.200 0.225 0.000 0.910 197 S HN 1.111 nan 8.310 nan 0.000 0.471 198 K N 1.497 121.966 120.400 0.116 0.000 2.113 198 K HA -0.153 4.166 4.320 -0.001 0.000 0.208 198 K C -1.101 175.528 176.600 0.048 0.000 1.047 198 K CA 1.814 58.132 56.287 0.050 0.000 0.928 198 K CB -0.568 31.874 32.500 -0.096 0.000 0.716 198 K HN 0.376 nan 8.250 nan 0.000 0.446 199 P HA -0.143 nan 4.420 nan 0.000 0.221 199 P C 0.312 177.552 177.300 -0.101 0.000 1.145 199 P CA 1.148 64.204 63.100 -0.073 0.000 0.795 199 P CB -0.050 31.556 31.700 -0.156 0.000 0.775 200 Y N -1.366 118.964 120.300 0.051 0.000 2.439 200 Y HA -0.098 4.451 4.550 -0.001 0.000 0.292 200 Y C 2.177 178.109 175.900 0.053 0.000 1.130 200 Y CA 0.369 58.493 58.100 0.040 0.000 1.254 200 Y CB -0.590 37.878 38.460 0.012 0.000 1.000 200 Y HN -0.084 nan 8.280 nan 0.000 0.554 201 I N -0.062 120.635 120.570 0.213 0.000 2.315 201 I HA -0.243 3.926 4.170 -0.001 0.000 0.248 201 I C 1.548 177.782 176.117 0.195 0.000 1.117 201 I CA 1.302 62.716 61.300 0.190 0.000 1.404 201 I CB -0.981 37.188 38.000 0.282 0.000 1.071 201 I HN 0.245 nan 8.210 nan 0.000 0.419 202 D N 0.854 121.374 120.400 0.200 0.000 2.178 202 D HA -0.093 4.547 4.640 -0.001 0.000 0.202 202 D C 2.371 178.738 176.300 0.112 0.000 0.974 202 D CA 0.952 55.054 54.000 0.171 0.000 0.841 202 D CB 0.014 40.900 40.800 0.143 0.000 0.953 202 D HN 0.318 nan 8.370 nan 0.000 0.478 203 I N 0.827 121.451 120.570 0.091 0.000 2.226 203 I HA -0.240 3.929 4.170 -0.001 0.000 0.245 203 I C 2.266 178.438 176.117 0.092 0.000 1.100 203 I CA 1.037 62.390 61.300 0.087 0.000 1.374 203 I CB -0.386 37.673 38.000 0.098 0.000 1.057 203 I HN -0.028 nan 8.210 nan 0.000 0.413 204 T N 1.486 116.094 114.554 0.089 0.000 2.684 204 T HA -0.142 4.207 4.350 -0.001 0.000 0.267 204 T C 1.952 176.688 174.700 0.060 0.000 1.036 204 T CA 1.328 63.460 62.100 0.052 0.000 1.148 204 T CB -0.355 68.530 68.868 0.029 0.000 0.863 204 T HN 0.243 nan 8.240 nan 0.000 0.436 205 L N 1.362 122.634 121.223 0.081 0.000 2.131 205 L HA -0.097 4.242 4.340 -0.001 0.000 0.210 205 L C 2.761 179.690 176.870 0.098 0.000 1.092 205 L CA 0.882 55.777 54.840 0.091 0.000 0.759 205 L CB -0.632 41.489 42.059 0.105 0.000 0.903 205 L HN 0.295 nan 8.230 nan 0.000 0.435 206 N N 0.732 119.492 118.700 0.099 0.000 2.058 206 N HA -0.184 4.555 4.740 -0.001 0.000 0.191 206 N C 1.891 177.472 175.510 0.119 0.000 1.037 206 N CA 1.408 54.522 53.050 0.105 0.000 0.848 206 N CB -0.020 38.531 38.487 0.107 0.000 1.021 206 N HN 0.157 nan 8.380 nan 0.000 0.422 207 L N 1.062 122.351 121.223 0.110 0.000 2.042 207 L HA -0.111 4.228 4.340 -0.001 0.000 0.210 207 L C 2.534 179.501 176.870 0.161 0.000 1.076 207 L CA 1.229 56.133 54.840 0.108 0.000 0.749 207 L CB -1.054 41.019 42.059 0.024 0.000 0.893 207 L HN 0.309 nan 8.230 nan 0.000 0.432 208 M N -0.622 119.052 119.600 0.122 0.000 2.080 208 M HA -0.276 4.203 4.480 -0.001 0.000 0.260 208 M C 2.260 178.715 176.300 0.259 0.000 1.068 208 M CA 1.761 57.190 55.300 0.215 0.000 1.109 208 M CB -0.391 32.335 32.600 0.210 0.000 1.342 208 M HN 0.114 nan 8.290 nan 0.000 0.405 209 K N -0.269 120.233 120.400 0.169 0.000 2.097 209 K HA -0.137 4.182 4.320 -0.001 0.000 0.206 209 K C 1.728 178.392 176.600 0.108 0.000 1.049 209 K CA 1.665 58.030 56.287 0.130 0.000 0.933 209 K CB -0.048 32.508 32.500 0.092 0.000 0.717 209 K HN 0.226 nan 8.250 nan 0.000 0.442 210 T N 0.241 114.852 114.554 0.094 0.000 2.833 210 T HA -0.106 4.243 4.350 -0.001 0.000 0.269 210 T C 0.842 175.433 174.700 -0.182 0.000 1.054 210 T CA 1.169 63.248 62.100 -0.035 0.000 1.135 210 T CB -0.173 68.640 68.868 -0.092 0.000 0.869 210 T HN 0.177 nan 8.240 nan 0.000 0.466 211 F N 0.658 120.610 119.950 0.003 0.000 2.663 211 F HA 0.388 4.914 4.527 -0.001 0.000 0.299 211 F C 1.675 177.596 175.800 0.201 0.000 1.143 211 F CA -0.183 57.858 58.000 0.068 0.000 1.387 211 F CB -0.100 38.881 39.000 -0.031 0.000 1.019 211 F HN 0.251 nan 8.300 nan 0.000 0.523 212 G N 0.364 109.285 108.800 0.201 0.000 2.136 212 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.242 212 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.242 212 G C -0.368 174.601 174.900 0.115 0.000 0.989 212 G CA 0.050 45.233 45.100 0.138 0.000 0.682 212 G HN 0.182 nan 8.290 nan 0.000 0.522 213 V N -0.029 119.982 119.914 0.163 0.000 2.709 213 V HA 0.696 4.816 4.120 -0.001 0.000 0.308 213 V C -0.095 176.057 176.094 0.097 0.000 1.062 213 V CA -0.809 61.542 62.300 0.085 0.000 0.901 213 V CB 2.006 33.842 31.823 0.021 0.000 1.003 213 V HN 0.362 nan 8.190 nan 0.000 0.425 214 E N 3.137 123.371 120.200 0.055 0.000 2.312 214 E HA 0.776 5.125 4.350 -0.001 0.000 0.267 214 E C -1.354 175.275 176.600 0.048 0.000 0.894 214 E CA -0.732 55.702 56.400 0.056 0.000 0.773 214 E CB 2.971 32.695 29.700 0.040 0.000 1.241 214 E HN 0.647 nan 8.360 nan 0.000 0.432 215 I N -2.460 118.146 120.570 0.059 0.000 3.264 215 I HA 0.449 4.618 4.170 -0.001 0.000 0.315 215 I C -0.674 175.473 176.117 0.050 0.000 1.154 215 I CA -0.902 60.438 61.300 0.067 0.000 0.962 215 I CB 1.683 39.749 38.000 0.110 0.000 1.265 215 I HN 0.350 nan 8.210 nan 0.000 0.463 216 E N 2.224 122.449 120.200 0.042 0.000 2.081 216 E HA 0.230 4.580 4.350 -0.001 0.000 0.281 216 E C -1.101 175.458 176.600 -0.068 0.000 0.986 216 E CA -0.472 55.919 56.400 -0.016 0.000 0.796 216 E CB 0.546 30.234 29.700 -0.021 0.000 1.085 216 E HN 0.606 nan 8.360 nan 0.000 0.398 217 N N 4.253 122.857 118.700 -0.161 0.000 2.414 217 N HA 0.041 4.780 4.740 -0.001 0.000 0.256 217 N C -1.217 174.005 175.510 -0.480 0.000 1.029 217 N CA -0.096 52.696 53.050 -0.429 0.000 0.948 217 N CB 0.959 39.197 38.487 -0.415 0.000 1.102 217 N HN 0.475 nan 8.380 nan 0.000 0.496 218 Q N 2.940 122.425 119.800 -0.526 0.000 2.569 218 Q HA 0.175 4.514 4.340 -0.001 0.000 0.226 218 Q C -0.732 175.147 176.000 -0.201 0.000 1.136 218 Q CA -0.531 55.106 55.803 -0.277 0.000 0.947 218 Q CB 0.040 28.701 28.738 -0.129 0.000 1.218 218 Q HN 0.684 nan 8.270 nan 0.000 0.547 219 H N -0.131 118.793 119.070 -0.243 0.000 2.776 219 H HA -0.259 4.296 4.556 -0.001 0.000 0.300 219 H C -0.818 174.549 175.328 0.064 0.000 1.161 219 H CA 1.029 57.050 56.048 -0.046 0.000 1.147 219 H CB -2.237 27.525 29.762 0.001 0.000 1.366 219 H HN 0.777 nan 8.280 nan 0.000 0.397 220 Y N -3.221 116.934 120.300 -0.243 0.000 4.538 220 Y HA -0.409 4.140 4.550 -0.001 0.000 0.225 220 Y C 1.630 177.500 175.900 -0.049 0.000 1.074 220 Y CA 1.501 59.506 58.100 -0.158 0.000 1.942 220 Y CB -1.930 36.610 38.460 0.134 0.000 1.618 220 Y HN 0.620 nan 8.280 nan 0.000 0.642 221 Q N -0.439 119.332 119.800 -0.047 0.000 2.396 221 Q HA 0.108 4.447 4.340 -0.001 0.000 0.220 221 Q C 0.696 176.706 176.000 0.017 0.000 0.900 221 Q CA 0.780 56.613 55.803 0.050 0.000 0.925 221 Q CB 0.879 29.645 28.738 0.045 0.000 1.065 221 Q HN 0.573 nan 8.270 nan 0.000 0.535 222 Q N -0.296 119.388 119.800 -0.192 0.000 2.352 222 Q HA 0.392 4.732 4.340 -0.001 0.000 0.270 222 Q C -1.861 173.932 176.000 -0.345 0.000 1.006 222 Q CA -0.432 55.320 55.803 -0.085 0.000 0.880 222 Q CB 1.426 30.149 28.738 -0.025 0.000 1.392 222 Q HN -0.018 nan 8.270 nan 0.000 0.401 223 F N 1.965 121.927 119.950 0.021 0.000 2.493 223 F HA 0.507 5.034 4.527 -0.001 0.000 0.329 223 F C -0.461 175.348 175.800 0.016 0.000 1.126 223 F CA -0.844 57.157 58.000 0.002 0.000 0.937 223 F CB 2.006 41.010 39.000 0.007 0.000 1.146 223 F HN 0.235 nan 8.300 nan 0.000 0.442 224 V N 4.744 124.736 119.914 0.131 0.000 2.350 224 V HA 0.495 4.614 4.120 -0.001 0.000 0.276 224 V C -0.380 175.770 176.094 0.094 0.000 1.028 224 V CA -0.678 61.676 62.300 0.091 0.000 0.860 224 V CB 1.398 33.244 31.823 0.038 0.000 0.990 224 V HN 0.523 nan 8.190 nan 0.000 0.453 225 V N 5.661 125.631 119.914 0.094 0.000 2.495 225 V HA 0.499 4.618 4.120 -0.001 0.000 0.298 225 V C 0.013 176.138 176.094 0.052 0.000 1.031 225 V CA -1.142 61.204 62.300 0.078 0.000 0.871 225 V CB 1.965 33.845 31.823 0.096 0.000 0.988 225 V HN 0.665 nan 8.190 nan 0.000 0.432 226 K N 3.199 123.618 120.400 0.032 0.000 2.234 226 K HA 0.475 4.795 4.320 -0.001 0.000 0.282 226 K C 0.507 177.115 176.600 0.012 0.000 1.039 226 K CA 0.008 56.305 56.287 0.017 0.000 0.928 226 K CB 1.725 34.228 32.500 0.005 0.000 1.039 226 K HN 0.891 nan 8.250 nan 0.000 0.470 227 G N -0.326 108.483 108.800 0.016 0.000 2.563 227 G HA2 0.394 4.353 3.960 -0.001 0.000 0.283 227 G HA3 0.394 4.353 3.960 -0.001 0.000 0.283 227 G C 0.565 175.464 174.900 -0.001 0.000 1.309 227 G CA -0.026 45.084 45.100 0.017 0.000 1.022 227 G HN 0.681 nan 8.290 nan 0.000 0.501 228 G N -1.656 107.146 108.800 0.003 0.000 2.179 228 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.257 228 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.257 228 G C 0.405 175.291 174.900 -0.025 0.000 1.010 228 G CA 0.906 46.004 45.100 -0.003 0.000 0.736 228 G HN 0.752 nan 8.290 nan 0.000 0.513 229 Q N -0.633 119.134 119.800 -0.054 0.000 2.171 229 Q HA 0.730 5.069 4.340 -0.001 0.000 0.217 229 Q C -0.181 175.750 176.000 -0.115 0.000 0.995 229 Q CA -0.290 55.455 55.803 -0.097 0.000 0.979 229 Q CB 1.427 30.076 28.738 -0.149 0.000 1.152 229 Q HN 0.250 nan 8.270 nan 0.000 0.525 230 S N -0.325 115.293 115.700 -0.136 0.000 2.540 230 S HA 0.427 4.896 4.470 -0.001 0.000 0.275 230 S C -1.589 172.968 174.600 -0.071 0.000 1.123 230 S CA -0.678 57.491 58.200 -0.052 0.000 0.907 230 S CB 0.651 63.850 63.200 -0.002 0.000 1.081 230 S HN 0.325 nan 8.310 nan 0.000 0.476 231 Y N 1.915 122.320 120.300 0.176 0.000 2.301 231 Y HA 0.447 4.997 4.550 -0.001 0.000 0.325 231 Y C 0.789 176.837 175.900 0.247 0.000 1.203 231 Y CA -0.177 58.036 58.100 0.188 0.000 1.255 231 Y CB 0.723 39.275 38.460 0.153 0.000 1.232 231 Y HN 0.390 nan 8.280 nan 0.000 0.501 232 Q N 1.151 121.184 119.800 0.390 0.000 2.353 232 Q HA 0.248 4.587 4.340 -0.001 0.000 0.268 232 Q C -0.457 175.654 176.000 0.184 0.000 1.045 232 Q CA -0.819 55.134 55.803 0.250 0.000 0.811 232 Q CB 2.297 31.108 28.738 0.123 0.000 1.305 232 Q HN 0.700 nan 8.270 nan 0.000 0.447 233 S N 3.079 118.869 115.700 0.151 0.000 2.552 233 S HA 0.113 4.583 4.470 -0.001 0.000 0.289 233 S C -1.416 173.111 174.600 -0.122 0.000 1.304 233 S CA -0.583 57.640 58.200 0.038 0.000 1.063 233 S CB 0.352 63.599 63.200 0.079 0.000 0.848 233 S HN 0.406 nan 8.310 nan 0.000 0.499 234 P HA 0.268 nan 4.420 nan 0.000 0.262 234 P C 1.032 178.271 177.300 -0.102 0.000 1.304 234 P CA 0.647 63.591 63.100 -0.261 0.000 0.859 234 P CB -0.376 31.044 31.700 -0.466 0.000 1.310 235 G N 0.909 109.675 108.800 -0.057 0.000 2.650 235 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.264 235 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.264 235 G C -0.115 174.800 174.900 0.025 0.000 1.263 235 G CA 0.206 45.305 45.100 -0.002 0.000 0.960 235 G HN 0.515 nan 8.290 nan 0.000 0.548 236 T N -1.577 112.999 114.554 0.036 0.000 2.795 236 T HA 0.604 4.954 4.350 -0.001 0.000 0.282 236 T C -0.803 173.956 174.700 0.098 0.000 0.980 236 T CA 0.036 62.171 62.100 0.059 0.000 1.012 236 T CB 2.113 71.000 68.868 0.031 0.000 0.936 236 T HN 1.416 nan 8.240 nan 0.000 0.457 237 Y N 3.237 123.523 120.300 -0.023 0.000 2.406 237 Y HA 0.591 5.141 4.550 -0.001 0.000 0.340 237 Y C -1.420 174.482 175.900 0.003 0.000 0.975 237 Y CA -1.883 56.203 58.100 -0.024 0.000 1.056 237 Y CB 1.643 40.084 38.460 -0.031 0.000 1.210 237 Y HN 0.815 nan 8.280 nan 0.000 0.448 238 L N 7.384 128.250 121.223 -0.594 0.000 2.257 238 L HA 0.541 4.881 4.340 -0.001 0.000 0.290 238 L C -1.225 175.317 176.870 -0.547 0.000 1.044 238 L CA -0.438 54.155 54.840 -0.412 0.000 0.810 238 L CB 0.744 42.640 42.059 -0.271 0.000 1.193 238 L HN 0.506 nan 8.230 nan 0.000 0.425 239 V N 5.578 125.357 119.914 -0.224 0.000 2.508 239 V HA 0.128 4.247 4.120 -0.001 0.000 0.281 239 V C 0.707 176.756 176.094 -0.075 0.000 1.041 239 V CA -0.476 61.781 62.300 -0.071 0.000 1.016 239 V CB 0.410 32.263 31.823 0.050 0.000 0.984 239 V HN 0.762 nan 8.190 nan 0.000 0.478 240 E N 2.844 123.016 120.200 -0.048 0.000 2.418 240 E HA 0.238 4.587 4.350 -0.001 0.000 0.261 240 E C 0.771 177.363 176.600 -0.014 0.000 1.070 240 E CA 0.205 56.589 56.400 -0.028 0.000 0.931 240 E CB 0.620 30.322 29.700 0.004 0.000 0.954 240 E HN 0.868 nan 8.360 nan 0.000 0.439 241 G N 1.452 110.245 108.800 -0.013 0.000 2.594 241 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.243 241 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.243 241 G C -0.268 174.624 174.900 -0.014 0.000 1.229 241 G CA -0.437 44.652 45.100 -0.019 0.000 0.843 241 G HN 0.499 nan 8.290 nan 0.000 0.578 242 D N 1.069 121.445 120.400 -0.039 0.000 2.339 242 D HA 0.282 4.922 4.640 -0.001 0.000 0.256 242 D C 1.298 177.589 176.300 -0.014 0.000 1.214 242 D CA 0.101 54.084 54.000 -0.028 0.000 0.877 242 D CB 1.389 42.149 40.800 -0.066 0.000 1.111 242 D HN 0.272 nan 8.370 nan 0.000 0.478 243 A N 3.186 126.003 122.820 -0.004 0.000 2.015 243 A HA -0.103 4.216 4.320 -0.001 0.000 0.219 243 A C 2.186 179.714 177.584 -0.093 0.000 1.163 243 A CA 0.977 53.004 52.037 -0.017 0.000 0.646 243 A CB 0.076 19.081 19.000 0.008 0.000 0.806 243 A HN 0.550 nan 8.150 nan 0.000 0.448 244 S N 0.119 115.769 115.700 -0.084 0.000 2.357 244 S HA -0.086 4.383 4.470 -0.001 0.000 0.221 244 S C 2.210 176.675 174.600 -0.225 0.000 1.031 244 S CA 1.315 59.411 58.200 -0.175 0.000 0.982 244 S CB -0.252 62.916 63.200 -0.052 0.000 0.853 244 S HN 0.626 nan 8.310 nan 0.000 0.458 245 S N 2.047 117.734 115.700 -0.021 0.000 2.399 245 S HA -0.024 4.445 4.470 -0.001 0.000 0.231 245 S C 2.159 176.836 174.600 0.128 0.000 1.022 245 S CA 0.902 59.213 58.200 0.185 0.000 0.983 245 S CB -0.436 62.782 63.200 0.030 0.000 0.803 245 S HN 0.599 nan 8.310 nan 0.000 0.480 246 A N 1.855 124.690 122.820 0.026 0.000 2.015 246 A HA -0.076 4.244 4.320 -0.001 0.000 0.219 246 A C 2.315 179.808 177.584 -0.153 0.000 1.163 246 A CA 1.645 53.744 52.037 0.102 0.000 0.646 246 A CB -0.870 18.174 19.000 0.073 0.000 0.806 246 A HN 0.617 nan 8.150 nan 0.000 0.448 247 S N -0.696 114.662 115.700 -0.570 0.000 2.383 247 S HA -0.258 4.211 4.470 -0.001 0.000 0.229 247 S C 1.822 175.958 174.600 -0.774 0.000 1.030 247 S CA 1.633 59.217 58.200 -1.027 0.000 1.002 247 S CB -0.927 61.149 63.200 -1.874 0.000 0.829 247 S HN 0.572 nan 8.310 nan 0.000 0.467 248 Y N 1.303 121.333 120.300 -0.451 0.000 2.181 248 Y HA 0.036 4.586 4.550 -0.001 0.000 0.288 248 Y C 2.179 177.904 175.900 -0.292 0.000 1.146 248 Y CA 0.855 58.702 58.100 -0.420 0.000 1.164 248 Y CB -1.063 37.054 38.460 -0.572 0.000 0.982 248 Y HN 0.260 nan 8.280 nan 0.000 0.515 249 F N -0.833 119.226 119.950 0.181 0.000 2.206 249 F HA -0.090 4.437 4.527 -0.001 0.000 0.298 249 F C 2.123 177.966 175.800 0.071 0.000 1.090 249 F CA 0.733 58.801 58.000 0.113 0.000 1.323 249 F CB -1.243 37.821 39.000 0.106 0.000 1.028 249 F HN -0.031 nan 8.300 nan 0.000 0.492 250 L N -0.326 121.022 121.223 0.208 0.000 2.056 250 L HA -0.132 4.208 4.340 -0.001 0.000 0.207 250 L C 2.715 179.682 176.870 0.161 0.000 1.078 250 L CA 1.133 56.074 54.840 0.169 0.000 0.749 250 L CB -1.085 41.090 42.059 0.193 0.000 0.901 250 L HN 0.140 nan 8.230 nan 0.000 0.433 251 A N 0.197 123.146 122.820 0.214 0.000 1.933 251 A HA -0.145 4.175 4.320 -0.001 0.000 0.218 251 A C 2.553 180.177 177.584 0.066 0.000 1.175 251 A CA 1.605 53.746 52.037 0.173 0.000 0.628 251 A CB -0.665 18.477 19.000 0.237 0.000 0.814 251 A HN 0.386 nan 8.150 nan 0.000 0.444 252 A N -0.130 122.733 122.820 0.073 0.000 1.940 252 A HA 0.107 4.427 4.320 -0.001 0.000 0.219 252 A C 2.450 180.032 177.584 -0.003 0.000 1.176 252 A CA 2.165 54.218 52.037 0.027 0.000 0.631 252 A CB -0.872 18.185 19.000 0.096 0.000 0.814 252 A HN 1.046 nan 8.150 nan 0.000 0.446 253 A N -0.427 122.412 122.820 0.032 0.000 1.929 253 A HA 0.292 4.612 4.320 -0.001 0.000 0.216 253 A C 2.442 180.015 177.584 -0.017 0.000 1.176 253 A CA 1.625 53.665 52.037 0.006 0.000 0.628 253 A CB -0.860 18.152 19.000 0.020 0.000 0.816 253 A HN 1.034 nan 8.150 nan 0.000 0.444 254 A N -0.237 122.576 122.820 -0.012 0.000 2.019 254 A HA -0.031 4.288 4.320 -0.001 0.000 0.219 254 A C 2.028 179.585 177.584 -0.046 0.000 1.164 254 A CA 1.553 53.575 52.037 -0.025 0.000 0.644 254 A CB -0.476 18.511 19.000 -0.021 0.000 0.805 254 A HN 0.511 nan 8.150 nan 0.000 0.449 255 I N -2.547 117.968 120.570 -0.092 0.000 2.628 255 I HA 0.046 4.216 4.170 -0.001 0.000 0.255 255 I C 1.680 177.684 176.117 -0.188 0.000 1.119 255 I CA 1.142 62.325 61.300 -0.194 0.000 1.448 255 I CB 0.248 37.984 38.000 -0.440 0.000 1.133 255 I HN 0.064 nan 8.210 nan 0.000 0.438 256 K N 0.666 120.977 120.400 -0.148 0.000 2.644 256 K HA 0.308 4.627 4.320 -0.001 0.000 0.198 256 K C 0.098 176.665 176.600 -0.055 0.000 1.113 256 K CA -0.131 56.092 56.287 -0.107 0.000 1.073 256 K CB 0.738 33.158 32.500 -0.135 0.000 0.811 256 K HN 0.154 nan 8.250 nan 0.000 0.508 257 G N -0.665 108.110 108.800 -0.041 0.000 2.557 257 G HA2 0.546 4.506 3.960 -0.001 0.000 0.292 257 G HA3 0.546 4.506 3.960 -0.001 0.000 0.292 257 G C 0.097 174.984 174.900 -0.021 0.000 1.237 257 G CA -0.039 45.046 45.100 -0.024 0.000 0.978 257 G HN 0.427 nan 8.290 nan 0.000 0.498 258 G N -2.029 106.760 108.800 -0.017 0.000 2.814 258 G HA2 0.206 4.166 3.960 -0.001 0.000 0.677 258 G HA3 0.206 4.166 3.960 -0.001 0.000 0.677 258 G C -0.316 174.573 174.900 -0.018 0.000 1.429 258 G CA -0.019 45.070 45.100 -0.018 0.000 0.868 258 G HN 1.193 nan 8.290 nan 0.000 0.553 259 T N 0.113 114.654 114.554 -0.022 0.000 2.841 259 T HA 0.600 4.949 4.350 -0.001 0.000 0.285 259 T C -0.209 174.476 174.700 -0.026 0.000 0.991 259 T CA -0.367 61.718 62.100 -0.025 0.000 0.966 259 T CB 1.920 70.767 68.868 -0.036 0.000 0.962 259 T HN 1.039 nan 8.240 nan 0.000 0.438 260 V N 3.873 123.780 119.914 -0.012 0.000 2.487 260 V HA 0.540 4.659 4.120 -0.001 0.000 0.298 260 V C -0.069 176.020 176.094 -0.008 0.000 1.028 260 V CA -0.884 61.413 62.300 -0.004 0.000 0.860 260 V CB 1.846 33.697 31.823 0.048 0.000 0.991 260 V HN 0.728 nan 8.190 nan 0.000 0.427 261 K N 4.321 124.699 120.400 -0.037 0.000 2.244 261 K HA 0.762 5.081 4.320 -0.001 0.000 0.260 261 K C -0.947 175.649 176.600 -0.007 0.000 0.951 261 K CA -0.536 55.729 56.287 -0.037 0.000 0.826 261 K CB 1.967 34.385 32.500 -0.137 0.000 1.108 261 K HN 0.595 nan 8.250 nan 0.000 0.433 262 V N 0.543 120.488 119.914 0.051 0.000 2.513 262 V HA 0.593 4.712 4.120 -0.001 0.000 0.299 262 V C -0.245 175.900 176.094 0.085 0.000 1.035 262 V CA -0.636 61.700 62.300 0.059 0.000 0.889 262 V CB 1.058 32.947 31.823 0.111 0.000 0.988 262 V HN 0.897 nan 8.190 nan 0.000 0.440 263 T N 0.413 115.001 114.554 0.056 0.000 2.918 263 T HA 0.819 5.168 4.350 -0.001 0.000 0.286 263 T C 0.888 175.617 174.700 0.049 0.000 1.026 263 T CA 0.092 62.238 62.100 0.077 0.000 1.031 263 T CB 1.385 70.284 68.868 0.052 0.000 1.046 263 T HN 2.389 nan 8.240 nan 0.000 0.479 264 G N 1.247 110.076 108.800 0.050 0.000 2.231 264 G HA2 -0.083 3.877 3.960 -0.001 0.000 0.206 264 G HA3 -0.083 3.877 3.960 -0.001 0.000 0.206 264 G C -0.041 174.874 174.900 0.025 0.000 0.996 264 G CA -0.083 45.030 45.100 0.022 0.000 0.645 264 G HN 1.456 nan 8.290 nan 0.000 0.498 265 I N -2.315 118.283 120.570 0.046 0.000 2.865 265 I HA 0.945 5.114 4.170 -0.001 0.000 0.302 265 I C 0.263 176.420 176.117 0.067 0.000 1.140 265 I CA -0.747 60.585 61.300 0.054 0.000 1.021 265 I CB 2.015 40.052 38.000 0.062 0.000 1.233 265 I HN 0.593 nan 8.210 nan 0.000 0.427 266 G N 3.206 112.063 108.800 0.094 0.000 2.706 266 G HA2 0.317 4.277 3.960 -0.001 0.000 0.307 266 G HA3 0.317 4.277 3.960 -0.001 0.000 0.307 266 G C 0.108 175.148 174.900 0.233 0.000 1.307 266 G CA -0.464 44.707 45.100 0.117 0.000 0.790 266 G HN 0.897 nan 8.290 nan 0.000 0.503 267 R N -0.463 120.166 120.500 0.216 0.000 2.200 267 R HA -0.035 4.305 4.340 -0.001 0.000 0.234 267 R C 1.036 177.301 176.300 -0.057 0.000 1.127 267 R CA 1.928 58.044 56.100 0.027 0.000 0.989 267 R CB -0.379 29.855 30.300 -0.109 0.000 0.869 267 R HN 0.398 nan 8.270 nan 0.000 0.459 268 N N 0.417 119.111 118.700 -0.009 0.000 2.336 268 N HA 0.049 4.789 4.740 -0.001 0.000 0.189 268 N C -0.526 174.988 175.510 0.006 0.000 1.113 268 N CA -0.041 52.998 53.050 -0.018 0.000 0.858 268 N CB 0.655 39.133 38.487 -0.015 0.000 0.970 268 N HN 0.042 nan 8.380 nan 0.000 0.471 269 S N 1.109 116.830 115.700 0.035 0.000 2.563 269 S HA -0.019 4.451 4.470 -0.001 0.000 0.284 269 S C 1.477 176.095 174.600 0.030 0.000 1.331 269 S CA -0.151 58.074 58.200 0.042 0.000 1.047 269 S CB 0.480 63.723 63.200 0.071 0.000 0.859 269 S HN 0.374 nan 8.310 nan 0.000 0.514 270 M N 1.058 120.677 119.600 0.032 0.000 2.558 270 M HA 0.152 4.631 4.480 -0.001 0.000 0.255 270 M C 0.154 176.455 176.300 0.002 0.000 1.113 270 M CA 0.652 55.969 55.300 0.028 0.000 1.097 270 M CB -0.185 32.447 32.600 0.053 0.000 1.426 270 M HN 0.453 nan 8.290 nan 0.000 0.488 271 Q N 1.569 121.368 119.800 -0.001 0.000 2.304 271 Q HA 0.262 4.601 4.340 -0.001 0.000 0.260 271 Q C 1.229 177.187 176.000 -0.070 0.000 0.965 271 Q CA 0.045 55.815 55.803 -0.054 0.000 0.898 271 Q CB 1.379 30.105 28.738 -0.021 0.000 1.196 271 Q HN 0.528 nan 8.270 nan 0.000 0.402 272 G N 2.550 111.239 108.800 -0.184 0.000 2.471 272 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.219 272 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.219 272 G C 0.555 175.425 174.900 -0.051 0.000 1.125 272 G CA 0.318 45.341 45.100 -0.129 0.000 0.775 272 G HN 0.576 nan 8.290 nan 0.000 0.548 273 D N 0.454 120.813 120.400 -0.069 0.000 2.378 273 D HA -0.060 4.580 4.640 -0.001 0.000 0.227 273 D C 2.533 178.892 176.300 0.098 0.000 1.012 273 D CA 0.194 54.196 54.000 0.004 0.000 0.905 273 D CB -0.122 40.656 40.800 -0.037 0.000 0.895 273 D HN 0.629 nan 8.370 nan 0.000 0.532 274 I N -2.266 118.381 120.570 0.127 0.000 2.830 274 I HA -0.049 4.120 4.170 -0.001 0.000 0.263 274 I C 1.566 177.885 176.117 0.337 0.000 1.230 274 I CA 0.551 61.996 61.300 0.242 0.000 1.480 274 I CB -0.048 38.150 38.000 0.329 0.000 1.095 274 I HN -0.214 nan 8.210 nan 0.000 0.455 275 R N 0.710 121.359 120.500 0.248 0.000 2.316 275 R HA -0.058 4.281 4.340 -0.001 0.000 0.202 275 R C 1.854 178.289 176.300 0.225 0.000 1.029 275 R CA 0.789 57.039 56.100 0.251 0.000 1.018 275 R CB -0.852 29.589 30.300 0.236 0.000 0.888 275 R HN 0.499 nan 8.270 nan 0.000 0.471 276 F N 1.680 121.663 119.950 0.056 0.000 2.171 276 F HA -0.159 4.367 4.527 -0.001 0.000 0.300 276 F C 2.155 177.967 175.800 0.021 0.000 1.090 276 F CA 1.201 59.202 58.000 0.002 0.000 1.293 276 F CB -0.127 38.837 39.000 -0.060 0.000 1.013 276 F HN 0.016 nan 8.300 nan 0.000 0.486 277 A N 0.132 123.003 122.820 0.086 0.000 1.940 277 A HA -0.208 4.111 4.320 -0.001 0.000 0.219 277 A C 1.922 179.488 177.584 -0.030 0.000 1.176 277 A CA 1.995 54.000 52.037 -0.053 0.000 0.631 277 A CB -0.979 17.931 19.000 -0.151 0.000 0.814 277 A HN 0.447 nan 8.150 nan 0.000 0.446 278 D N -0.249 120.214 120.400 0.106 0.000 2.144 278 D HA -0.103 4.537 4.640 -0.001 0.000 0.199 278 D C 2.021 178.310 176.300 -0.018 0.000 0.984 278 D CA 1.411 55.471 54.000 0.100 0.000 0.834 278 D CB -0.423 40.459 40.800 0.137 0.000 0.955 278 D HN 0.257 nan 8.370 nan 0.000 0.465 279 V N 0.920 120.766 119.914 -0.113 0.000 2.358 279 V HA -0.185 3.934 4.120 -0.001 0.000 0.246 279 V C 2.619 178.578 176.094 -0.225 0.000 1.047 279 V CA 1.028 63.226 62.300 -0.169 0.000 1.035 279 V CB -0.470 31.204 31.823 -0.249 0.000 0.658 279 V HN 0.201 nan 8.190 nan 0.000 0.452 280 L N -0.170 120.839 121.223 -0.358 0.000 2.083 280 L HA -0.212 4.127 4.340 -0.001 0.000 0.209 280 L C 2.600 179.394 176.870 -0.126 0.000 1.083 280 L CA 1.869 56.549 54.840 -0.267 0.000 0.752 280 L CB -0.551 41.329 42.059 -0.299 0.000 0.899 280 L HN 0.429 nan 8.230 nan 0.000 0.433 281 E N 0.565 120.713 120.200 -0.087 0.000 2.077 281 E HA -0.275 4.074 4.350 -0.001 0.000 0.193 281 E C 2.213 178.800 176.600 -0.021 0.000 0.989 281 E CA 1.151 57.535 56.400 -0.027 0.000 0.800 281 E CB 0.106 29.821 29.700 0.025 0.000 0.746 281 E HN 0.281 nan 8.360 nan 0.000 0.452 282 K N -0.053 120.329 120.400 -0.029 0.000 2.211 282 K HA -0.094 4.225 4.320 -0.001 0.000 0.203 282 K C 1.902 178.488 176.600 -0.024 0.000 1.050 282 K CA 1.024 57.299 56.287 -0.020 0.000 0.945 282 K CB 0.053 32.543 32.500 -0.018 0.000 0.732 282 K HN 0.190 nan 8.250 nan 0.000 0.451 283 M N -1.201 118.375 119.600 -0.040 0.000 2.562 283 M HA 0.050 4.529 4.480 -0.001 0.000 0.257 283 M C 0.975 177.265 176.300 -0.017 0.000 1.099 283 M CA 1.092 56.374 55.300 -0.029 0.000 1.099 283 M CB 0.817 33.391 32.600 -0.044 0.000 1.427 283 M HN 0.468 nan 8.290 nan 0.000 0.489 284 G N -0.083 108.706 108.800 -0.019 0.000 2.227 284 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.168 284 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.168 284 G C 0.089 174.981 174.900 -0.012 0.000 1.006 284 G CA -0.199 44.895 45.100 -0.010 0.000 0.684 284 G HN 0.599 nan 8.290 nan 0.000 0.489 285 A N 0.009 122.814 122.820 -0.025 0.000 2.272 285 A HA 0.803 5.122 4.320 -0.001 0.000 0.275 285 A C 0.469 178.041 177.584 -0.019 0.000 1.096 285 A CA 0.688 52.709 52.037 -0.026 0.000 0.822 285 A CB 0.615 19.589 19.000 -0.044 0.000 1.088 285 A HN 0.632 nan 8.150 nan 0.000 0.495 286 T N 1.916 116.460 114.554 -0.017 0.000 2.795 286 T HA 0.528 4.878 4.350 -0.001 0.000 0.282 286 T C -0.359 174.325 174.700 -0.027 0.000 0.980 286 T CA -0.063 62.033 62.100 -0.007 0.000 1.012 286 T CB 0.401 69.270 68.868 0.001 0.000 0.936 286 T HN 0.362 nan 8.240 nan 0.000 0.457 287 I N 2.186 122.741 120.570 -0.026 0.000 2.474 287 I HA 0.415 4.584 4.170 -0.001 0.000 0.294 287 I C -0.195 175.870 176.117 -0.087 0.000 1.005 287 I CA -0.717 60.516 61.300 -0.111 0.000 1.113 287 I CB 1.593 39.487 38.000 -0.177 0.000 1.289 287 I HN 0.644 nan 8.210 nan 0.000 0.436 288 C N 4.986 124.207 119.300 -0.132 0.000 2.417 288 C HA 0.558 5.017 4.460 -0.001 0.000 0.324 288 C C -0.619 174.297 174.990 -0.124 0.000 1.240 288 C CA -0.648 58.377 59.018 0.013 0.000 1.632 288 C CB 0.891 28.724 27.740 0.156 0.000 2.241 288 C HN 0.719 nan 8.230 nan 0.000 0.499 289 W N 1.788 123.078 121.300 -0.016 0.000 2.573 289 W HA 0.612 5.272 4.660 -0.001 0.000 0.326 289 W C 0.437 176.684 176.519 -0.453 0.000 1.049 289 W CA 0.030 57.262 57.345 -0.188 0.000 1.220 289 W CB 1.586 30.977 29.460 -0.115 0.000 1.373 289 W HN 0.960 nan 8.180 nan 0.000 0.507 290 G N 0.860 109.262 108.800 -0.663 0.000 3.015 290 G HA2 0.198 4.158 3.960 -0.001 0.000 0.281 290 G HA3 0.198 4.158 3.960 -0.001 0.000 0.281 290 G C -0.594 174.087 174.900 -0.364 0.000 1.386 290 G CA -0.464 44.095 45.100 -0.901 0.000 0.959 290 G HN 0.431 nan 8.290 nan 0.000 0.522 291 D N -1.589 118.689 120.400 -0.203 0.000 2.149 291 D HA -0.038 4.601 4.640 -0.001 0.000 0.201 291 D C 0.746 177.019 176.300 -0.045 0.000 0.972 291 D CA 1.159 55.115 54.000 -0.072 0.000 0.835 291 D CB 0.386 41.173 40.800 -0.021 0.000 0.966 291 D HN 0.276 nan 8.370 nan 0.000 0.476 292 D N -1.463 118.923 120.400 -0.024 0.000 2.650 292 D HA 0.120 4.759 4.640 -0.001 0.000 0.265 292 D C -1.319 175.059 176.300 0.129 0.000 1.339 292 D CA -0.449 53.579 54.000 0.047 0.000 0.816 292 D CB 0.123 40.964 40.800 0.069 0.000 1.091 292 D HN 0.268 nan 8.370 nan 0.000 0.483 293 Y N -1.673 118.653 120.300 0.043 0.000 2.624 293 Y HA 0.591 5.140 4.550 -0.001 0.000 0.334 293 Y C -1.875 174.020 175.900 -0.008 0.000 1.155 293 Y CA -1.506 56.602 58.100 0.012 0.000 1.046 293 Y CB 0.876 39.333 38.460 -0.004 0.000 1.316 293 Y HN -0.204 nan 8.280 nan 0.000 0.457 294 I N 2.905 123.572 120.570 0.162 0.000 2.619 294 I HA 0.640 4.810 4.170 -0.001 0.000 0.292 294 I C -0.863 175.289 176.117 0.059 0.000 1.100 294 I CA -0.845 60.401 61.300 -0.090 0.000 1.043 294 I CB 2.534 40.337 38.000 -0.329 0.000 1.239 294 I HN 0.847 nan 8.210 nan 0.000 0.420 295 S N 4.165 119.870 115.700 0.008 0.000 2.599 295 S HA 0.724 5.194 4.470 -0.001 0.000 0.287 295 S C -1.088 173.469 174.600 -0.072 0.000 1.105 295 S CA -0.710 57.489 58.200 -0.001 0.000 0.899 295 S CB 2.161 65.370 63.200 0.014 0.000 1.100 295 S HN 0.774 nan 8.310 nan 0.000 0.482 296 C N 2.115 121.391 119.300 -0.040 0.000 2.547 296 C HA 0.848 5.308 4.460 -0.001 0.000 0.313 296 C C -0.501 174.475 174.990 -0.023 0.000 1.191 296 C CA 0.103 59.095 59.018 -0.042 0.000 1.474 296 C CB 0.576 28.302 27.740 -0.023 0.000 2.081 296 C HN 1.003 nan 8.230 nan 0.000 0.476 297 T N 4.406 118.946 114.554 -0.024 0.000 2.841 297 T HA 0.441 4.791 4.350 -0.001 0.000 0.283 297 T C -0.418 174.273 174.700 -0.016 0.000 1.000 297 T CA -0.424 61.665 62.100 -0.017 0.000 0.977 297 T CB 1.212 70.072 68.868 -0.014 0.000 0.979 297 T HN 0.832 nan 8.240 nan 0.000 0.446 298 R N 1.783 122.274 120.500 -0.016 0.000 2.583 298 R HA 0.383 4.722 4.340 -0.001 0.000 0.274 298 R C 0.800 177.094 176.300 -0.010 0.000 0.998 298 R CA 0.871 56.962 56.100 -0.016 0.000 1.081 298 R CB -0.293 29.996 30.300 -0.018 0.000 0.940 298 R HN 0.842 nan 8.270 nan 0.000 0.413 299 G N 3.373 112.168 108.800 -0.009 0.000 2.710 299 G HA2 0.222 4.182 3.960 -0.001 0.000 0.198 299 G HA3 0.222 4.182 3.960 -0.001 0.000 0.198 299 G C -0.809 174.092 174.900 0.001 0.000 1.797 299 G CA 0.194 45.292 45.100 -0.003 0.000 0.759 299 G HN 0.705 nan 8.290 nan 0.000 0.808 300 E N -1.271 118.930 120.200 0.002 0.000 2.450 300 E HA 0.726 5.075 4.350 -0.001 0.000 0.272 300 E C -2.015 174.591 176.600 0.010 0.000 0.967 300 E CA -0.927 55.479 56.400 0.009 0.000 0.818 300 E CB 2.465 32.171 29.700 0.011 0.000 1.401 300 E HN 0.262 nan 8.360 nan 0.000 0.450 301 L N 1.837 123.074 121.223 0.022 0.000 2.518 301 L HA 0.429 4.769 4.340 -0.001 0.000 0.262 301 L C -1.770 175.119 176.870 0.031 0.000 0.982 301 L CA -0.314 54.542 54.840 0.028 0.000 0.873 301 L CB 1.323 43.414 42.059 0.052 0.000 1.198 301 L HN 0.496 nan 8.230 nan 0.000 0.427 302 N N 2.705 121.415 118.700 0.017 0.000 2.417 302 N HA 0.682 5.422 4.740 -0.001 0.000 0.300 302 N C -0.260 175.258 175.510 0.013 0.000 1.102 302 N CA -0.483 52.577 53.050 0.015 0.000 0.886 302 N CB 2.227 40.719 38.487 0.008 0.000 1.203 302 N HN 0.638 nan 8.380 nan 0.000 0.496 303 A N 1.177 124.006 122.820 0.014 0.000 2.483 303 A HA 0.404 4.723 4.320 -0.001 0.000 0.238 303 A C 0.238 177.825 177.584 0.005 0.000 1.070 303 A CA 0.148 52.193 52.037 0.012 0.000 0.770 303 A CB -0.363 18.644 19.000 0.012 0.000 1.008 303 A HN 0.652 nan 8.150 nan 0.000 0.497 304 I N -1.852 118.721 120.570 0.005 0.000 3.042 304 I HA 0.746 4.915 4.170 -0.001 0.000 0.310 304 I C -0.913 175.205 176.117 0.002 0.000 1.117 304 I CA -1.006 60.294 61.300 0.000 0.000 1.003 304 I CB 2.322 40.319 38.000 -0.004 0.000 1.228 304 I HN 0.378 nan 8.210 nan 0.000 0.443 305 D N 4.573 124.971 120.400 -0.004 0.000 2.421 305 D HA 0.620 5.260 4.640 -0.001 0.000 0.254 305 D C -1.160 175.134 176.300 -0.009 0.000 1.238 305 D CA -0.282 53.711 54.000 -0.011 0.000 0.919 305 D CB 0.963 41.750 40.800 -0.023 0.000 1.152 305 D HN 0.787 nan 8.370 nan 0.000 0.552 306 M N 0.860 120.461 119.600 0.001 0.000 2.622 306 M HA 0.460 4.940 4.480 -0.001 0.000 0.276 306 M C -1.016 175.299 176.300 0.026 0.000 1.265 306 M CA -1.073 54.235 55.300 0.014 0.000 0.850 306 M CB 2.112 34.733 32.600 0.036 0.000 1.720 306 M HN -0.076 nan 8.290 nan 0.000 0.465 307 D N 2.272 122.695 120.400 0.037 0.000 2.343 307 D HA 0.234 4.873 4.640 -0.001 0.000 0.255 307 D C -0.175 176.215 176.300 0.149 0.000 1.187 307 D CA 0.017 54.049 54.000 0.053 0.000 0.875 307 D CB 0.977 41.797 40.800 0.032 0.000 1.136 307 D HN 0.630 nan 8.370 nan 0.000 0.469 308 M N 3.410 123.072 119.600 0.103 0.000 2.475 308 M HA 0.018 4.498 4.480 -0.001 0.000 0.283 308 M C 1.354 177.705 176.300 0.084 0.000 1.165 308 M CA -0.223 55.134 55.300 0.095 0.000 0.976 308 M CB -0.734 31.875 32.600 0.014 0.000 1.428 308 M HN 0.474 nan 8.290 nan 0.000 0.495 309 N N 1.531 120.329 118.700 0.163 0.000 2.348 309 N HA -0.201 4.538 4.740 -0.001 0.000 0.185 309 N C 1.414 177.031 175.510 0.178 0.000 1.019 309 N CA 1.225 54.358 53.050 0.139 0.000 0.880 309 N CB 0.073 38.631 38.487 0.118 0.000 0.965 309 N HN 0.530 nan 8.380 nan 0.000 0.437 310 H N 0.059 119.163 119.070 0.057 0.000 2.548 310 H HA 0.056 4.612 4.556 -0.001 0.000 0.268 310 H C 1.000 176.373 175.328 0.074 0.000 0.975 310 H CA 0.318 56.396 56.048 0.050 0.000 1.195 310 H CB -0.247 29.524 29.762 0.014 0.000 1.397 310 H HN 0.349 nan 8.280 nan 0.000 0.572 311 I N -1.675 118.711 120.570 -0.307 0.000 2.908 311 I HA 0.283 4.452 4.170 -0.001 0.000 0.319 311 I C -2.346 173.793 176.117 0.038 0.000 1.471 311 I CA -1.978 59.231 61.300 -0.151 0.000 0.809 311 I CB 1.791 39.638 38.000 -0.255 0.000 2.186 311 I HN -0.272 nan 8.210 nan 0.000 0.607 312 P HA -0.149 nan 4.420 nan 0.000 0.216 312 P C 0.517 178.004 177.300 0.312 0.000 1.150 312 P CA 1.472 64.757 63.100 0.308 0.000 0.837 312 P CB 0.446 32.317 31.700 0.284 0.000 0.786 313 D N 0.255 120.739 120.400 0.140 0.000 2.110 313 D HA -0.015 4.624 4.640 -0.001 0.000 0.202 313 D C 2.258 178.510 176.300 -0.081 0.000 0.975 313 D CA 1.545 55.539 54.000 -0.009 0.000 0.839 313 D CB -1.041 39.761 40.800 0.004 0.000 0.996 313 D HN 0.070 nan 8.370 nan 0.000 0.464 314 A N 0.936 123.701 122.820 -0.093 0.000 2.019 314 A HA 0.003 4.323 4.320 -0.001 0.000 0.219 314 A C 2.213 179.779 177.584 -0.030 0.000 1.164 314 A CA 1.814 53.688 52.037 -0.271 0.000 0.644 314 A CB -0.628 18.189 19.000 -0.305 0.000 0.805 314 A HN 0.211 nan 8.150 nan 0.000 0.449 315 A N -0.249 122.666 122.820 0.158 0.000 1.978 315 A HA -0.163 4.157 4.320 -0.001 0.000 0.220 315 A C 2.153 179.943 177.584 0.344 0.000 1.170 315 A CA 1.766 53.981 52.037 0.295 0.000 0.636 315 A CB -0.585 18.617 19.000 0.336 0.000 0.810 315 A HN 0.567 nan 8.150 nan 0.000 0.448 316 M N -0.774 118.939 119.600 0.188 0.000 2.213 316 M HA -0.129 4.350 4.480 -0.001 0.000 0.263 316 M C 2.048 178.358 176.300 0.016 0.000 1.062 316 M CA 1.861 57.151 55.300 -0.017 0.000 1.105 316 M CB -0.714 31.655 32.600 -0.385 0.000 1.385 316 M HN 0.410 nan 8.290 nan 0.000 0.417 317 T N 0.931 115.475 114.554 -0.018 0.000 2.833 317 T HA -0.051 4.299 4.350 -0.001 0.000 0.269 317 T C 1.752 176.545 174.700 0.155 0.000 1.054 317 T CA 0.905 63.001 62.100 -0.006 0.000 1.135 317 T CB -0.118 68.556 68.868 -0.322 0.000 0.869 317 T HN 0.228 nan 8.240 nan 0.000 0.466 318 I N 1.664 122.389 120.570 0.258 0.000 2.394 318 I HA -0.031 4.139 4.170 -0.001 0.000 0.251 318 I C 2.857 179.051 176.117 0.129 0.000 1.136 318 I CA 0.640 62.057 61.300 0.196 0.000 1.425 318 I CB -1.592 36.508 38.000 0.166 0.000 1.079 318 I HN 0.183 nan 8.210 nan 0.000 0.425 319 A N 1.208 124.112 122.820 0.140 0.000 1.933 319 A HA -0.210 4.109 4.320 -0.001 0.000 0.218 319 A C 2.409 179.987 177.584 -0.010 0.000 1.175 319 A CA 2.566 54.665 52.037 0.104 0.000 0.628 319 A CB -0.986 18.127 19.000 0.189 0.000 0.814 319 A HN 0.536 nan 8.150 nan 0.000 0.444 320 T N -2.922 111.581 114.554 -0.086 0.000 3.009 320 T HA 0.315 4.665 4.350 -0.001 0.000 0.258 320 T C 1.938 176.662 174.700 0.041 0.000 1.063 320 T CA 1.080 63.075 62.100 -0.175 0.000 1.139 320 T CB -0.358 68.270 68.868 -0.400 0.000 0.890 320 T HN 0.504 nan 8.240 nan 0.000 0.471 321 A N 1.875 124.766 122.820 0.118 0.000 2.019 321 A HA 0.339 4.658 4.320 -0.001 0.000 0.219 321 A C 2.726 180.434 177.584 0.208 0.000 1.164 321 A CA 1.567 53.741 52.037 0.229 0.000 0.644 321 A CB -1.288 17.808 19.000 0.159 0.000 0.805 321 A HN 0.715 nan 8.150 nan 0.000 0.449 322 A N -0.115 122.762 122.820 0.095 0.000 2.076 322 A HA -0.064 4.256 4.320 -0.001 0.000 0.220 322 A C 1.996 179.574 177.584 -0.009 0.000 1.160 322 A CA 1.405 53.471 52.037 0.049 0.000 0.653 322 A CB -0.609 18.410 19.000 0.032 0.000 0.801 322 A HN 0.517 nan 8.150 nan 0.000 0.455 323 L N -2.323 118.842 121.223 -0.097 0.000 2.265 323 L HA -0.109 4.231 4.340 -0.001 0.000 0.215 323 L C 1.527 178.125 176.870 -0.454 0.000 1.117 323 L CA 0.909 55.554 54.840 -0.325 0.000 0.782 323 L CB -0.347 41.385 42.059 -0.545 0.000 0.914 323 L HN 0.445 nan 8.230 nan 0.000 0.441 324 F N -0.463 119.488 119.950 0.002 0.000 2.695 324 F HA 0.337 4.864 4.527 -0.001 0.000 0.303 324 F C 1.251 177.055 175.800 0.006 0.000 1.091 324 F CA -0.435 57.570 58.000 0.007 0.000 1.300 324 F CB -0.033 38.972 39.000 0.009 0.000 1.071 324 F HN -0.122 nan 8.300 nan 0.000 0.578 325 A N 0.593 123.487 122.820 0.123 0.000 2.279 325 A HA 0.505 4.824 4.320 -0.001 0.000 0.303 325 A C 0.050 177.660 177.584 0.044 0.000 1.108 325 A CA -0.695 51.390 52.037 0.080 0.000 0.830 325 A CB 0.557 19.592 19.000 0.060 0.000 1.106 325 A HN 0.165 nan 8.150 nan 0.000 0.493 326 K N 1.086 121.508 120.400 0.037 0.000 2.285 326 K HA 0.501 4.821 4.320 -0.001 0.000 0.286 326 K C 0.431 177.041 176.600 0.016 0.000 1.072 326 K CA 0.786 57.087 56.287 0.024 0.000 0.913 326 K CB 0.660 33.173 32.500 0.023 0.000 1.067 326 K HN 1.395 nan 8.250 nan 0.000 0.479 327 G N 1.701 110.508 108.800 0.011 0.000 2.566 327 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.599 327 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.599 327 G C -0.826 174.079 174.900 0.009 0.000 1.292 327 G CA -1.109 43.996 45.100 0.009 0.000 0.922 327 G HN 0.404 nan 8.290 nan 0.000 0.514 328 T N 1.494 116.053 114.554 0.009 0.000 2.767 328 T HA 0.629 4.978 4.350 -0.001 0.000 0.288 328 T C 0.378 175.087 174.700 0.014 0.000 0.963 328 T CA 0.310 62.417 62.100 0.012 0.000 1.019 328 T CB 1.248 70.124 68.868 0.014 0.000 0.923 328 T HN 0.712 nan 8.240 nan 0.000 0.468 329 T N 3.581 118.147 114.554 0.020 0.000 2.837 329 T HA 0.517 4.866 4.350 -0.001 0.000 0.285 329 T C 0.018 174.737 174.700 0.032 0.000 0.984 329 T CA -0.448 61.666 62.100 0.024 0.000 1.049 329 T CB 0.953 69.840 68.868 0.031 0.000 0.947 329 T HN 0.503 nan 8.240 nan 0.000 0.472 330 T N 4.073 118.641 114.554 0.023 0.000 2.841 330 T HA 0.519 4.869 4.350 -0.001 0.000 0.285 330 T C -0.571 174.139 174.700 0.016 0.000 0.991 330 T CA -0.617 61.501 62.100 0.029 0.000 0.966 330 T CB 0.592 69.456 68.868 -0.008 0.000 0.962 330 T HN 0.333 nan 8.240 nan 0.000 0.438 331 L N 4.055 125.289 121.223 0.017 0.000 2.305 331 L HA 0.622 4.962 4.340 -0.001 0.000 0.284 331 L C 0.359 177.201 176.870 -0.048 0.000 1.013 331 L CA -0.864 53.957 54.840 -0.031 0.000 0.819 331 L CB 1.370 43.384 42.059 -0.075 0.000 1.227 331 L HN 0.393 nan 8.230 nan 0.000 0.417 332 R N 1.812 122.289 120.500 -0.040 0.000 2.873 332 R HA 0.392 4.732 4.340 -0.001 0.000 0.264 332 R C -0.064 176.213 176.300 -0.038 0.000 1.026 332 R CA -1.111 54.979 56.100 -0.017 0.000 1.002 332 R CB 0.917 31.198 30.300 -0.031 0.000 1.174 332 R HN 0.580 nan 8.270 nan 0.000 0.488 333 N N 1.262 119.959 118.700 -0.004 0.000 2.756 333 N HA -0.146 4.594 4.740 -0.001 0.000 0.248 333 N C -0.607 174.874 175.510 -0.048 0.000 1.062 333 N CA 0.680 53.734 53.050 0.007 0.000 0.696 333 N CB -0.826 37.678 38.487 0.027 0.000 0.946 333 N HN 0.645 nan 8.380 nan 0.000 0.548 334 I N -3.172 117.302 120.570 -0.159 0.000 3.326 334 I HA 0.209 4.379 4.170 -0.001 0.000 0.336 334 I C 1.352 177.301 176.117 -0.280 0.000 1.543 334 I CA -0.900 60.195 61.300 -0.342 0.000 1.013 334 I CB -0.240 37.213 38.000 -0.911 0.000 1.468 334 I HN 0.079 nan 8.210 nan 0.000 0.515 335 Y N 4.136 124.334 120.300 -0.170 0.000 2.151 335 Y HA -0.330 4.219 4.550 -0.001 0.000 0.284 335 Y C 2.289 178.166 175.900 -0.038 0.000 1.166 335 Y CA 2.540 60.551 58.100 -0.148 0.000 1.163 335 Y CB -0.169 38.229 38.460 -0.105 0.000 0.974 335 Y HN 0.646 nan 8.280 nan 0.000 0.511 336 N N -1.037 117.590 118.700 -0.122 0.000 2.609 336 N HA -0.200 4.539 4.740 -0.001 0.000 0.190 336 N C 1.063 176.553 175.510 -0.033 0.000 1.157 336 N CA 0.976 53.935 53.050 -0.151 0.000 0.918 336 N CB -1.310 37.202 38.487 0.042 0.000 0.978 336 N HN 0.419 nan 8.380 nan 0.000 0.448 337 W N 1.526 122.681 121.300 -0.242 0.000 2.350 337 W HA 0.074 4.733 4.660 -0.001 0.000 0.289 337 W C 1.944 178.327 176.519 -0.227 0.000 1.215 337 W CA 0.526 57.761 57.345 -0.184 0.000 1.236 337 W CB -0.280 29.090 29.460 -0.150 0.000 1.130 337 W HN 0.206 nan 8.180 nan 0.000 0.541 338 R N -0.170 120.249 120.500 -0.136 0.000 2.189 338 R HA -0.060 4.279 4.340 -0.001 0.000 0.223 338 R C 1.360 177.574 176.300 -0.143 0.000 1.092 338 R CA 1.454 57.435 56.100 -0.198 0.000 0.989 338 R CB -0.512 29.549 30.300 -0.399 0.000 0.876 338 R HN 0.180 nan 8.270 nan 0.000 0.457 339 V N -2.271 117.561 119.914 -0.136 0.000 3.043 339 V HA 0.273 4.393 4.120 -0.001 0.000 0.357 339 V C 0.405 176.487 176.094 -0.020 0.000 1.372 339 V CA -0.344 61.932 62.300 -0.041 0.000 1.214 339 V CB -0.183 31.645 31.823 0.007 0.000 1.224 339 V HN 0.010 nan 8.190 nan 0.000 0.507 340 K N 0.289 120.666 120.400 -0.039 0.000 2.385 340 K HA 0.453 4.773 4.320 -0.001 0.000 0.274 340 K C 1.043 177.628 176.600 -0.026 0.000 0.981 340 K CA -0.234 56.029 56.287 -0.040 0.000 1.400 340 K CB 0.408 32.867 32.500 -0.068 0.000 2.019 340 K HN 0.020 nan 8.250 nan 0.000 0.855 341 E N 0.456 120.644 120.200 -0.020 0.000 2.187 341 E HA -0.145 4.204 4.350 -0.001 0.000 0.199 341 E C 0.506 177.115 176.600 0.015 0.000 1.004 341 E CA 1.315 57.723 56.400 0.014 0.000 0.813 341 E CB 0.083 29.825 29.700 0.070 0.000 0.736 341 E HN 0.333 nan 8.360 nan 0.000 0.468 342 T N -1.715 112.828 114.554 -0.019 0.000 2.711 342 T HA 0.097 4.447 4.350 -0.001 0.000 0.302 342 T C -1.992 172.679 174.700 -0.049 0.000 1.373 342 T CA -0.888 61.209 62.100 -0.006 0.000 1.000 342 T CB 1.259 70.137 68.868 0.017 0.000 1.483 342 T HN -0.112 nan 8.240 nan 0.000 0.499 343 D N 1.202 121.585 120.400 -0.029 0.000 2.359 343 D HA 0.237 4.876 4.640 -0.001 0.000 0.250 343 D C 1.166 177.443 176.300 -0.040 0.000 1.264 343 D CA -0.071 53.917 54.000 -0.020 0.000 0.911 343 D CB 0.619 41.424 40.800 0.010 0.000 1.056 343 D HN 0.424 nan 8.370 nan 0.000 0.499 344 R N 2.680 123.143 120.500 -0.062 0.000 2.189 344 R HA 0.002 4.341 4.340 -0.001 0.000 0.223 344 R C 1.945 178.306 176.300 0.102 0.000 1.092 344 R CA 0.584 56.598 56.100 -0.143 0.000 0.989 344 R CB 0.215 30.243 30.300 -0.453 0.000 0.876 344 R HN 0.468 nan 8.270 nan 0.000 0.457 345 L N -0.590 120.799 121.223 0.277 0.000 2.072 345 L HA -0.136 4.204 4.340 -0.001 0.000 0.205 345 L C 2.174 179.120 176.870 0.127 0.000 1.079 345 L CA 1.026 56.032 54.840 0.277 0.000 0.752 345 L CB -0.324 41.804 42.059 0.115 0.000 0.906 345 L HN 0.130 nan 8.230 nan 0.000 0.436 346 F N 0.718 120.643 119.950 -0.041 0.000 2.113 346 F HA -0.187 4.340 4.527 -0.001 0.000 0.297 346 F C 2.389 178.104 175.800 -0.142 0.000 1.103 346 F CA 1.265 59.225 58.000 -0.068 0.000 1.248 346 F CB -0.333 38.628 39.000 -0.065 0.000 0.999 346 F HN -0.013 nan 8.300 nan 0.000 0.475 347 A N 0.376 122.989 122.820 -0.345 0.000 1.877 347 A HA -0.203 4.116 4.320 -0.001 0.000 0.216 347 A C 2.213 179.532 177.584 -0.441 0.000 1.186 347 A CA 1.992 53.558 52.037 -0.784 0.000 0.620 347 A CB -0.993 17.269 19.000 -1.231 0.000 0.822 347 A HN 0.518 nan 8.150 nan 0.000 0.443 348 M N 0.365 119.846 119.600 -0.199 0.000 2.086 348 M HA -0.044 4.435 4.480 -0.001 0.000 0.261 348 M C 2.144 178.467 176.300 0.039 0.000 1.067 348 M CA 1.837 57.155 55.300 0.030 0.000 1.116 348 M CB -0.714 31.963 32.600 0.128 0.000 1.348 348 M HN 0.373 nan 8.290 nan 0.000 0.407 349 A N -1.137 121.656 122.820 -0.044 0.000 1.877 349 A HA -0.161 4.158 4.320 -0.001 0.000 0.216 349 A C 2.211 179.716 177.584 -0.132 0.000 1.186 349 A CA 2.395 54.396 52.037 -0.059 0.000 0.620 349 A CB -1.473 17.481 19.000 -0.077 0.000 0.822 349 A HN 0.581 nan 8.150 nan 0.000 0.443 350 T N 0.158 114.525 114.554 -0.312 0.000 2.684 350 T HA -0.126 4.223 4.350 -0.001 0.000 0.267 350 T C 1.791 176.382 174.700 -0.182 0.000 1.036 350 T CA 1.600 63.509 62.100 -0.318 0.000 1.148 350 T CB -0.254 68.285 68.868 -0.548 0.000 0.863 350 T HN 0.494 nan 8.240 nan 0.000 0.436 351 E N 1.038 121.121 120.200 -0.196 0.000 2.152 351 E HA 0.082 4.432 4.350 -0.001 0.000 0.192 351 E C 2.341 178.924 176.600 -0.029 0.000 0.983 351 E CA 0.431 56.658 56.400 -0.288 0.000 0.818 351 E CB -0.477 28.727 29.700 -0.826 0.000 0.758 351 E HN 0.453 nan 8.360 nan 0.000 0.467 352 L N 0.465 121.806 121.223 0.197 0.000 2.083 352 L HA -0.142 4.198 4.340 -0.001 0.000 0.209 352 L C 2.565 179.486 176.870 0.085 0.000 1.083 352 L CA 1.126 56.112 54.840 0.244 0.000 0.752 352 L CB -0.257 41.900 42.059 0.163 0.000 0.899 352 L HN 0.040 nan 8.230 nan 0.000 0.433 353 R N -0.035 120.477 120.500 0.020 0.000 2.148 353 R HA -0.139 4.201 4.340 -0.001 0.000 0.227 353 R C 2.197 178.490 176.300 -0.011 0.000 1.103 353 R CA 0.927 57.025 56.100 -0.004 0.000 0.983 353 R CB -0.155 30.130 30.300 -0.023 0.000 0.874 353 R HN 0.346 nan 8.270 nan 0.000 0.451 354 K N 0.516 120.899 120.400 -0.029 0.000 2.209 354 K HA -0.077 4.242 4.320 -0.001 0.000 0.204 354 K C 1.734 178.314 176.600 -0.033 0.000 1.048 354 K CA 1.439 57.698 56.287 -0.048 0.000 0.940 354 K CB 0.108 32.547 32.500 -0.101 0.000 0.729 354 K HN 0.176 nan 8.250 nan 0.000 0.451 355 V N -3.373 116.541 119.914 -0.001 0.000 3.633 355 V HA 0.359 4.478 4.120 -0.001 0.000 0.283 355 V C 0.919 177.010 176.094 -0.005 0.000 1.305 355 V CA 0.498 62.799 62.300 0.001 0.000 1.153 355 V CB -0.090 31.754 31.823 0.034 0.000 0.950 355 V HN 0.398 nan 8.190 nan 0.000 0.432 356 G N -0.492 108.306 108.800 -0.004 0.000 2.201 356 G HA2 -0.018 3.941 3.960 -0.001 0.000 0.212 356 G HA3 -0.018 3.941 3.960 -0.001 0.000 0.212 356 G C 0.411 175.303 174.900 -0.013 0.000 0.994 356 G CA 0.033 45.128 45.100 -0.008 0.000 0.644 356 G HN 1.490 nan 8.290 nan 0.000 0.508 357 A N 0.160 122.973 122.820 -0.013 0.000 2.351 357 A HA 0.645 4.964 4.320 -0.001 0.000 0.257 357 A C 0.353 177.937 177.584 -0.001 0.000 1.087 357 A CA 0.607 52.636 52.037 -0.013 0.000 0.798 357 A CB 0.528 19.521 19.000 -0.012 0.000 1.033 357 A HN 0.607 nan 8.150 nan 0.000 0.488 358 E N 1.004 121.206 120.200 0.002 0.000 2.174 358 E HA 0.529 4.879 4.350 -0.001 0.000 0.282 358 E C -1.470 175.140 176.600 0.017 0.000 0.992 358 E CA -0.389 56.017 56.400 0.009 0.000 0.803 358 E CB 0.952 30.659 29.700 0.011 0.000 1.090 358 E HN 0.370 nan 8.360 nan 0.000 0.396 359 V N 4.306 124.231 119.914 0.019 0.000 2.638 359 V HA 0.247 4.366 4.120 -0.001 0.000 0.306 359 V C -0.577 175.533 176.094 0.027 0.000 1.052 359 V CA -0.874 61.441 62.300 0.025 0.000 0.885 359 V CB 1.777 33.612 31.823 0.020 0.000 0.999 359 V HN 0.759 nan 8.190 nan 0.000 0.424 360 E N 3.457 123.683 120.200 0.042 0.000 2.109 360 E HA 0.286 4.635 4.350 -0.001 0.000 0.278 360 E C -0.414 176.172 176.600 -0.023 0.000 0.954 360 E CA -0.425 55.998 56.400 0.040 0.000 0.779 360 E CB 1.107 30.873 29.700 0.110 0.000 1.093 360 E HN 0.786 nan 8.360 nan 0.000 0.401 361 E N 4.191 124.358 120.200 -0.056 0.000 2.001 361 E HA 0.241 4.591 4.350 -0.001 0.000 0.279 361 E C -0.259 176.184 176.600 -0.261 0.000 1.045 361 E CA -0.455 55.876 56.400 -0.114 0.000 0.833 361 E CB 0.482 30.167 29.700 -0.025 0.000 1.077 361 E HN 0.670 nan 8.360 nan 0.000 0.397 362 G N 2.198 110.601 108.800 -0.662 0.000 2.599 362 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.264 362 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.264 362 G C 0.517 175.107 174.900 -0.516 0.000 1.200 362 G CA -0.262 44.154 45.100 -1.140 0.000 0.896 362 G HN 0.789 nan 8.290 nan 0.000 0.536 363 H N -0.279 118.609 119.070 -0.303 0.000 2.352 363 H HA -0.116 4.439 4.556 -0.001 0.000 0.299 363 H C 1.124 176.464 175.328 0.022 0.000 1.097 363 H CA 2.279 58.298 56.048 -0.049 0.000 1.311 363 H CB 0.389 30.181 29.762 0.050 0.000 1.377 363 H HN 0.510 nan 8.280 nan 0.000 0.504 364 D N -1.837 118.500 120.400 -0.104 0.000 2.692 364 D HA 0.088 4.727 4.640 -0.001 0.000 0.290 364 D C -0.623 175.671 176.300 -0.010 0.000 1.455 364 D CA -0.503 53.459 54.000 -0.063 0.000 0.796 364 D CB -0.982 39.877 40.800 0.098 0.000 1.131 364 D HN 0.512 nan 8.370 nan 0.000 0.467 365 Y N -1.844 118.381 120.300 -0.125 0.000 2.689 365 Y HA 0.692 5.241 4.550 -0.001 0.000 0.333 365 Y C -1.958 173.863 175.900 -0.132 0.000 1.208 365 Y CA -1.768 56.235 58.100 -0.162 0.000 1.055 365 Y CB 1.344 39.752 38.460 -0.086 0.000 1.304 365 Y HN -0.074 nan 8.280 nan 0.000 0.455 366 I N 2.021 122.621 120.570 0.049 0.000 2.656 366 I HA 0.565 4.735 4.170 -0.001 0.000 0.292 366 I C -1.488 174.721 176.117 0.153 0.000 1.144 366 I CA -1.014 60.299 61.300 0.022 0.000 1.038 366 I CB 1.870 39.860 38.000 -0.016 0.000 1.244 366 I HN 0.894 nan 8.210 nan 0.000 0.420 367 R N 7.990 128.584 120.500 0.157 0.000 2.437 367 R HA 0.699 5.038 4.340 -0.001 0.000 0.310 367 R C -1.894 174.452 176.300 0.078 0.000 0.955 367 R CA -0.531 55.648 56.100 0.131 0.000 0.851 367 R CB 1.330 31.728 30.300 0.163 0.000 1.161 367 R HN 0.633 nan 8.270 nan 0.000 0.446 368 I N 3.483 124.087 120.570 0.057 0.000 2.410 368 I HA 0.260 4.429 4.170 -0.001 0.000 0.286 368 I C -0.578 175.552 176.117 0.021 0.000 1.009 368 I CA -0.650 60.672 61.300 0.037 0.000 1.111 368 I CB 2.440 40.461 38.000 0.036 0.000 1.262 368 I HN 0.539 nan 8.210 nan 0.000 0.443 369 T N 7.094 121.656 114.554 0.014 0.000 2.788 369 T HA 0.376 4.725 4.350 -0.001 0.000 0.296 369 T C -2.500 172.193 174.700 -0.012 0.000 1.009 369 T CA -1.415 60.688 62.100 0.004 0.000 0.949 369 T CB 1.215 70.088 68.868 0.009 0.000 0.946 369 T HN 0.222 nan 8.240 nan 0.000 0.453 370 P HA 0.249 nan 4.420 nan 0.000 0.272 370 P C -2.355 174.917 177.300 -0.046 0.000 1.223 370 P CA -1.300 61.766 63.100 -0.057 0.000 0.784 370 P CB -0.153 31.501 31.700 -0.076 0.000 0.923 371 P HA 0.176 nan 4.420 nan 0.000 0.278 371 P C 0.410 177.688 177.300 -0.037 0.000 1.266 371 P CA -0.219 62.859 63.100 -0.037 0.000 0.807 371 P CB 1.092 32.770 31.700 -0.037 0.000 1.094 372 E N 0.528 120.718 120.200 -0.018 0.000 2.110 372 E HA -0.126 4.223 4.350 -0.001 0.000 0.193 372 E C 0.615 177.209 176.600 -0.010 0.000 0.988 372 E CA 1.581 57.976 56.400 -0.009 0.000 0.804 372 E CB -0.153 29.547 29.700 0.001 0.000 0.745 372 E HN 0.596 nan 8.360 nan 0.000 0.458 373 K N -0.437 119.955 120.400 -0.013 0.000 2.525 373 K HA 0.424 4.743 4.320 -0.001 0.000 0.254 373 K C -0.739 175.852 176.600 -0.016 0.000 0.934 373 K CA -0.611 55.671 56.287 -0.008 0.000 0.802 373 K CB 1.423 33.931 32.500 0.015 0.000 1.295 373 K HN -0.198 nan 8.250 nan 0.000 0.433 374 L N 2.850 124.057 121.223 -0.027 0.000 2.452 374 L HA 0.248 4.587 4.340 -0.001 0.000 0.267 374 L C 0.378 177.265 176.870 0.027 0.000 1.188 374 L CA -0.468 54.357 54.840 -0.025 0.000 0.821 374 L CB 0.374 42.404 42.059 -0.048 0.000 1.102 374 L HN 0.854 nan 8.230 nan 0.000 0.470 375 N N 0.900 119.622 118.700 0.036 0.000 2.381 375 N HA 0.295 5.034 4.740 -0.001 0.000 0.294 375 N C -0.906 174.669 175.510 0.108 0.000 1.216 375 N CA -0.751 52.347 53.050 0.081 0.000 0.803 375 N CB 1.849 40.379 38.487 0.070 0.000 1.372 375 N HN 0.325 nan 8.380 nan 0.000 0.500 376 F N 0.758 120.722 119.950 0.023 0.000 2.518 376 F HA 0.438 4.965 4.527 -0.001 0.000 0.359 376 F C -0.178 175.634 175.800 0.019 0.000 1.118 376 F CA 0.024 58.039 58.000 0.026 0.000 1.287 376 F CB 0.367 39.377 39.000 0.018 0.000 1.132 376 F HN 0.736 nan 8.300 nan 0.000 0.587 377 A N 4.785 126.958 122.820 -1.079 0.000 2.587 377 A HA 0.442 4.761 4.320 -0.001 0.000 0.293 377 A C -1.325 175.639 177.584 -1.032 0.000 1.087 377 A CA -0.847 50.712 52.037 -0.796 0.000 0.692 377 A CB 1.206 20.007 19.000 -0.332 0.000 1.291 377 A HN 0.765 nan 8.150 nan 0.000 0.407 378 E N 1.835 121.713 120.200 -0.537 0.000 2.081 378 E HA 0.433 4.782 4.350 -0.001 0.000 0.281 378 E C -0.879 175.568 176.600 -0.254 0.000 0.986 378 E CA -0.540 55.677 56.400 -0.305 0.000 0.796 378 E CB 0.432 30.075 29.700 -0.094 0.000 1.085 378 E HN 0.476 nan 8.360 nan 0.000 0.398 379 I N 3.625 124.045 120.570 -0.251 0.000 2.371 379 I HA 0.225 4.395 4.170 -0.001 0.000 0.290 379 I C 0.605 176.584 176.117 -0.231 0.000 1.028 379 I CA -0.401 60.726 61.300 -0.289 0.000 1.345 379 I CB 0.596 38.398 38.000 -0.330 0.000 1.407 379 I HN 0.533 nan 8.210 nan 0.000 0.501 380 A N 4.717 127.388 122.820 -0.249 0.000 2.354 380 A HA 0.493 4.812 4.320 -0.001 0.000 0.269 380 A C 0.947 178.422 177.584 -0.182 0.000 1.109 380 A CA -0.190 51.674 52.037 -0.288 0.000 0.800 380 A CB 0.200 18.911 19.000 -0.482 0.000 1.045 380 A HN 0.844 nan 8.150 nan 0.000 0.489 381 T N -2.017 112.455 114.554 -0.136 0.000 3.044 381 T HA 0.221 4.571 4.350 -0.001 0.000 0.260 381 T C 0.094 174.929 174.700 0.225 0.000 1.019 381 T CA 0.410 62.558 62.100 0.079 0.000 0.921 381 T CB -0.676 68.211 68.868 0.032 0.000 1.053 381 T HN 0.816 nan 8.240 nan 0.000 0.533 382 Y N 2.434 122.709 120.300 -0.041 0.000 3.721 382 Y HA -0.279 4.271 4.550 -0.001 0.000 0.218 382 Y C 0.592 176.490 175.900 -0.002 0.000 1.188 382 Y CA 0.363 58.454 58.100 -0.015 0.000 1.607 382 Y CB -3.069 35.384 38.460 -0.012 0.000 1.496 382 Y HN 0.368 nan 8.280 nan 0.000 0.626 383 N N -0.456 118.303 118.700 0.098 0.000 2.708 383 N HA -0.218 4.522 4.740 -0.001 0.000 0.249 383 N C -0.675 174.903 175.510 0.113 0.000 1.097 383 N CA 1.584 54.685 53.050 0.085 0.000 0.710 383 N CB -0.549 37.980 38.487 0.069 0.000 1.032 383 N HN 0.676 nan 8.380 nan 0.000 0.551 384 D N -0.554 119.924 120.400 0.130 0.000 2.454 384 D HA 0.159 4.799 4.640 -0.001 0.000 0.247 384 D C 1.427 177.795 176.300 0.114 0.000 1.129 384 D CA -0.576 53.507 54.000 0.138 0.000 0.877 384 D CB 0.329 41.160 40.800 0.052 0.000 1.082 384 D HN 0.428 nan 8.370 nan 0.000 0.537 385 H N 2.653 121.696 119.070 -0.044 0.000 2.362 385 H HA -0.158 4.398 4.556 -0.001 0.000 0.294 385 H C 1.278 176.495 175.328 -0.185 0.000 1.113 385 H CA 1.212 57.204 56.048 -0.093 0.000 1.253 385 H CB 0.127 29.849 29.762 -0.068 0.000 1.363 385 H HN 0.216 nan 8.280 nan 0.000 0.494 386 R N -0.111 120.017 120.500 -0.620 0.000 2.189 386 R HA -0.018 4.321 4.340 -0.001 0.000 0.218 386 R C 2.096 178.226 176.300 -0.283 0.000 1.074 386 R CA 1.061 56.855 56.100 -0.511 0.000 0.991 386 R CB -0.013 29.973 30.300 -0.523 0.000 0.883 386 R HN 0.415 nan 8.270 nan 0.000 0.457 387 M N 0.166 119.674 119.600 -0.153 0.000 2.132 387 M HA -0.039 4.440 4.480 -0.001 0.000 0.263 387 M C 2.413 178.762 176.300 0.082 0.000 1.065 387 M CA 1.346 56.662 55.300 0.027 0.000 1.122 387 M CB -0.840 31.786 32.600 0.043 0.000 1.365 387 M HN 0.138 nan 8.290 nan 0.000 0.411 388 A N 0.236 123.040 122.820 -0.027 0.000 1.877 388 A HA -0.151 4.169 4.320 -0.001 0.000 0.216 388 A C 2.224 179.706 177.584 -0.169 0.000 1.186 388 A CA 1.581 53.626 52.037 0.014 0.000 0.620 388 A CB -0.533 18.505 19.000 0.064 0.000 0.822 388 A HN 0.478 nan 8.150 nan 0.000 0.443 389 M N -1.187 118.037 119.600 -0.625 0.000 2.132 389 M HA -0.148 4.332 4.480 -0.001 0.000 0.263 389 M C 2.413 178.268 176.300 -0.743 0.000 1.065 389 M CA 1.194 55.723 55.300 -1.286 0.000 1.122 389 M CB -0.702 30.468 32.600 -2.384 0.000 1.365 389 M HN 0.530 nan 8.290 nan 0.000 0.411 390 C N -0.034 119.033 119.300 -0.388 0.000 2.432 390 C HA -0.154 4.306 4.460 -0.001 0.000 0.277 390 C C 2.469 177.337 174.990 -0.204 0.000 1.249 390 C CA 0.832 59.760 59.018 -0.150 0.000 1.725 390 C CB -1.079 26.572 27.740 -0.147 0.000 2.028 390 C HN 0.444 nan 8.230 nan 0.000 0.477 391 F N 1.895 121.814 119.950 -0.053 0.000 2.661 391 F HA -0.066 4.460 4.527 -0.001 0.000 0.298 391 F C 2.579 178.420 175.800 0.068 0.000 1.137 391 F CA 1.158 59.166 58.000 0.013 0.000 1.454 391 F CB -0.381 38.613 39.000 -0.010 0.000 1.103 391 F HN 0.277 nan 8.300 nan 0.000 0.577 392 S N 0.200 116.009 115.700 0.182 0.000 2.419 392 S HA -0.175 4.294 4.470 -0.001 0.000 0.233 392 S C 1.832 176.547 174.600 0.191 0.000 1.016 392 S CA 0.920 59.276 58.200 0.261 0.000 0.974 392 S CB -0.864 62.551 63.200 0.358 0.000 0.786 392 S HN 0.477 nan 8.310 nan 0.000 0.492 393 L N 1.096 122.395 121.223 0.127 0.000 2.456 393 L HA 0.029 4.368 4.340 -0.001 0.000 0.224 393 L C 2.352 179.367 176.870 0.241 0.000 1.148 393 L CA 0.312 55.231 54.840 0.131 0.000 0.825 393 L CB -0.669 41.455 42.059 0.108 0.000 0.937 393 L HN 0.240 nan 8.230 nan 0.000 0.450 394 V N 0.562 120.619 119.914 0.239 0.000 2.490 394 V HA -0.271 3.848 4.120 -0.001 0.000 0.250 394 V C 2.644 178.919 176.094 0.302 0.000 1.061 394 V CA 1.707 64.184 62.300 0.295 0.000 1.064 394 V CB -0.717 31.222 31.823 0.194 0.000 0.670 394 V HN 0.526 nan 8.190 nan 0.000 0.461 395 A N -0.482 122.466 122.820 0.214 0.000 2.216 395 A HA 0.039 4.359 4.320 -0.001 0.000 0.214 395 A C 1.624 179.289 177.584 0.135 0.000 1.160 395 A CA 0.719 52.858 52.037 0.169 0.000 0.725 395 A CB -0.515 18.571 19.000 0.143 0.000 0.784 395 A HN 0.561 nan 8.150 nan 0.000 0.472 396 L N 1.162 122.449 121.223 0.108 0.000 2.862 396 L HA 0.130 4.469 4.340 -0.001 0.000 0.240 396 L C 0.807 177.704 176.870 0.044 0.000 1.283 396 L CA -0.025 54.785 54.840 -0.049 0.000 1.117 396 L CB -0.741 41.124 42.059 -0.322 0.000 1.444 396 L HN 0.521 nan 8.230 nan 0.000 0.456 397 S N -3.602 112.229 115.700 0.219 0.000 2.911 397 S HA 0.361 4.830 4.470 -0.001 0.000 0.319 397 S C 0.258 174.958 174.600 0.166 0.000 1.154 397 S CA -0.796 57.580 58.200 0.293 0.000 0.857 397 S CB 1.387 64.815 63.200 0.380 0.000 1.279 397 S HN 0.043 nan 8.310 nan 0.000 0.593 398 D N 0.926 121.411 120.400 0.143 0.000 2.340 398 D HA 0.188 4.828 4.640 -0.001 0.000 0.220 398 D C 0.290 176.653 176.300 0.104 0.000 1.039 398 D CA 0.714 54.775 54.000 0.102 0.000 0.866 398 D CB 0.361 41.210 40.800 0.081 0.000 0.913 398 D HN 0.501 nan 8.370 nan 0.000 0.523 399 T N 1.316 115.949 114.554 0.131 0.000 2.855 399 T HA 0.398 4.747 4.350 -0.001 0.000 0.281 399 T C -2.697 172.110 174.700 0.179 0.000 1.007 399 T CA -2.252 59.938 62.100 0.150 0.000 1.009 399 T CB 2.242 71.208 68.868 0.164 0.000 0.983 399 T HN -0.219 nan 8.240 nan 0.000 0.455 400 P HA 0.453 nan 4.420 nan 0.000 0.277 400 P C -1.153 176.332 177.300 0.309 0.000 1.271 400 P CA -0.511 62.728 63.100 0.232 0.000 0.795 400 P CB 0.990 32.817 31.700 0.211 0.000 1.101 401 V N -0.617 119.432 119.914 0.224 0.000 2.932 401 V HA 0.418 4.537 4.120 -0.001 0.000 0.307 401 V C -1.028 175.110 176.094 0.073 0.000 1.147 401 V CA -0.343 61.988 62.300 0.052 0.000 0.951 401 V CB 2.401 34.254 31.823 0.049 0.000 1.031 401 V HN 0.548 nan 8.190 nan 0.000 0.426 402 T N 7.444 121.958 114.554 -0.068 0.000 2.771 402 T HA 0.591 4.940 4.350 -0.001 0.000 0.281 402 T C -0.548 174.110 174.700 -0.069 0.000 0.982 402 T CA -0.239 61.869 62.100 0.013 0.000 0.978 402 T CB 0.787 69.742 68.868 0.145 0.000 0.930 402 T HN 0.448 nan 8.240 nan 0.000 0.447 403 I N 4.609 125.146 120.570 -0.056 0.000 2.330 403 I HA 0.326 4.495 4.170 -0.001 0.000 0.289 403 I C 0.309 176.384 176.117 -0.068 0.000 1.001 403 I CA -0.707 60.562 61.300 -0.051 0.000 1.193 403 I CB 0.985 38.979 38.000 -0.009 0.000 1.345 403 I HN 0.487 nan 8.210 nan 0.000 0.461 404 L N 5.201 126.382 121.223 -0.070 0.000 2.417 404 L HA 0.135 4.474 4.340 -0.001 0.000 0.268 404 L C 0.702 177.547 176.870 -0.042 0.000 1.158 404 L CA -0.102 54.699 54.840 -0.066 0.000 0.819 404 L CB 0.078 42.083 42.059 -0.091 0.000 1.112 404 L HN 0.622 nan 8.230 nan 0.000 0.458 405 D N 1.763 122.142 120.400 -0.035 0.000 2.735 405 D HA -0.135 4.504 4.640 -0.001 0.000 0.235 405 D C -1.340 174.975 176.300 0.026 0.000 1.175 405 D CA 0.286 54.282 54.000 -0.008 0.000 0.683 405 D CB 0.051 40.846 40.800 -0.008 0.000 1.008 405 D HN 0.369 nan 8.370 nan 0.000 0.416 406 P HA -0.198 nan 4.420 nan 0.000 0.219 406 P C 1.021 178.437 177.300 0.193 0.000 1.146 406 P CA 0.998 64.155 63.100 0.095 0.000 0.808 406 P CB 0.091 31.694 31.700 -0.161 0.000 0.779 407 K N -0.091 120.373 120.400 0.107 0.000 2.515 407 K HA -0.057 4.262 4.320 -0.001 0.000 0.196 407 K C 2.145 178.808 176.600 0.105 0.000 1.038 407 K CA 1.084 57.438 56.287 0.112 0.000 0.967 407 K CB -0.739 31.803 32.500 0.071 0.000 0.780 407 K HN 0.349 nan 8.250 nan 0.000 0.483 408 C N 0.208 119.568 119.300 0.100 0.000 2.422 408 C HA -0.047 4.412 4.460 -0.001 0.000 0.286 408 C C 2.653 177.706 174.990 0.106 0.000 1.412 408 C CA 0.774 59.846 59.018 0.090 0.000 1.786 408 C CB -1.623 26.168 27.740 0.085 0.000 1.835 408 C HN 0.460 nan 8.230 nan 0.000 0.533 409 T N -0.725 113.898 114.554 0.115 0.000 2.977 409 T HA 0.039 4.389 4.350 -0.001 0.000 0.271 409 T C 1.852 176.621 174.700 0.114 0.000 1.105 409 T CA 1.386 63.535 62.100 0.081 0.000 1.116 409 T CB -0.590 68.255 68.868 -0.039 0.000 0.878 409 T HN 0.794 nan 8.240 nan 0.000 0.509 410 A N 1.497 124.378 122.820 0.101 0.000 2.178 410 A HA 0.021 4.340 4.320 -0.001 0.000 0.218 410 A C 2.316 179.918 177.584 0.029 0.000 1.157 410 A CA 1.490 53.579 52.037 0.087 0.000 0.689 410 A CB -0.748 18.295 19.000 0.072 0.000 0.787 410 A HN 0.622 nan 8.150 nan 0.000 0.465 411 K N -0.345 120.031 120.400 -0.040 0.000 2.103 411 K HA -0.168 4.151 4.320 -0.001 0.000 0.207 411 K C 1.559 178.056 176.600 -0.172 0.000 1.048 411 K CA 1.974 58.154 56.287 -0.177 0.000 0.930 411 K CB -0.051 32.175 32.500 -0.455 0.000 0.716 411 K HN 0.628 nan 8.250 nan 0.000 0.444 412 T N -3.891 110.618 114.554 -0.076 0.000 3.041 412 T HA 0.168 4.517 4.350 -0.001 0.000 0.276 412 T C -0.162 174.649 174.700 0.184 0.000 0.948 412 T CA -0.616 61.511 62.100 0.044 0.000 0.885 412 T CB 0.424 69.368 68.868 0.126 0.000 1.175 412 T HN 0.038 nan 8.240 nan 0.000 0.529 413 F N 1.957 121.939 119.950 0.053 0.000 3.159 413 F HA 0.476 5.002 4.527 -0.001 0.000 0.394 413 F C -2.814 173.043 175.800 0.094 0.000 1.214 413 F CA -2.972 55.083 58.000 0.091 0.000 1.241 413 F CB 1.794 40.864 39.000 0.116 0.000 2.238 413 F HN -0.195 nan 8.300 nan 0.000 0.658 414 P HA -0.122 nan 4.420 nan 0.000 0.216 414 P C 0.607 178.031 177.300 0.207 0.000 1.150 414 P CA 1.584 64.816 63.100 0.221 0.000 0.843 414 P CB 0.362 32.157 31.700 0.159 0.000 0.787 415 D N -2.711 117.862 120.400 0.290 0.000 2.336 415 D HA -0.015 4.624 4.640 -0.001 0.000 0.228 415 D C 1.301 177.544 176.300 -0.095 0.000 1.120 415 D CA -0.171 53.926 54.000 0.163 0.000 0.839 415 D CB -0.791 40.141 40.800 0.221 0.000 0.932 415 D HN 0.173 nan 8.370 nan 0.000 0.509 416 Y N 0.839 120.779 120.300 -0.600 0.000 2.069 416 Y HA -0.335 4.214 4.550 -0.001 0.000 0.278 416 Y C 1.572 177.094 175.900 -0.630 0.000 1.175 416 Y CA 1.758 59.138 58.100 -1.200 0.000 1.134 416 Y CB -0.452 37.220 38.460 -1.313 0.000 0.965 416 Y HN -0.085 nan 8.280 nan 0.000 0.498 417 F N 0.520 120.277 119.950 -0.322 0.000 2.234 417 F HA -0.137 4.389 4.527 -0.001 0.000 0.299 417 F C 2.628 178.280 175.800 -0.247 0.000 1.087 417 F CA 1.728 59.548 58.000 -0.301 0.000 1.340 417 F CB -0.658 38.298 39.000 -0.073 0.000 1.031 417 F HN 0.164 nan 8.300 nan 0.000 0.500 418 E N 0.384 120.566 120.200 -0.029 0.000 2.106 418 E HA -0.182 4.168 4.350 -0.001 0.000 0.192 418 E C 1.959 178.493 176.600 -0.109 0.000 0.984 418 E CA 1.053 57.434 56.400 -0.033 0.000 0.806 418 E CB -0.034 29.668 29.700 0.003 0.000 0.750 418 E HN 0.397 nan 8.360 nan 0.000 0.458 419 Q N 0.323 120.010 119.800 -0.189 0.000 2.119 419 Q HA -0.119 4.220 4.340 -0.001 0.000 0.201 419 Q C 2.369 178.195 176.000 -0.290 0.000 0.972 419 Q CA 0.673 56.332 55.803 -0.240 0.000 0.847 419 Q CB -0.430 28.198 28.738 -0.184 0.000 0.903 419 Q HN 0.266 nan 8.270 nan 0.000 0.433 420 L N 0.799 121.844 121.223 -0.297 0.000 2.083 420 L HA -0.054 4.286 4.340 -0.001 0.000 0.209 420 L C 2.110 178.931 176.870 -0.081 0.000 1.083 420 L CA 1.975 56.736 54.840 -0.131 0.000 0.752 420 L CB -0.717 41.134 42.059 -0.346 0.000 0.899 420 L HN 0.103 nan 8.230 nan 0.000 0.433 421 A N -0.395 122.376 122.820 -0.082 0.000 1.969 421 A HA -0.228 4.091 4.320 -0.001 0.000 0.218 421 A C 2.519 180.072 177.584 -0.051 0.000 1.169 421 A CA 1.577 53.593 52.037 -0.036 0.000 0.635 421 A CB -0.660 18.332 19.000 -0.014 0.000 0.810 421 A HN 0.521 nan 8.150 nan 0.000 0.445 422 R N 0.324 120.772 120.500 -0.086 0.000 2.105 422 R HA -0.121 4.218 4.340 -0.001 0.000 0.239 422 R C 1.732 177.982 176.300 -0.084 0.000 1.135 422 R CA 1.915 57.962 56.100 -0.088 0.000 0.967 422 R CB -0.420 29.808 30.300 -0.120 0.000 0.861 422 R HN 0.730 nan 8.270 nan 0.000 0.442 423 I N -2.170 118.345 120.570 -0.092 0.000 3.883 423 I HA 0.237 4.407 4.170 -0.001 0.000 0.326 423 I C -0.318 175.783 176.117 -0.027 0.000 1.283 423 I CA -0.268 60.994 61.300 -0.064 0.000 1.161 423 I CB 0.724 38.683 38.000 -0.068 0.000 1.012 423 I HN -0.159 nan 8.210 nan 0.000 0.421 424 S N 2.768 118.456 115.700 -0.020 0.000 2.474 424 S HA 0.355 4.825 4.470 -0.001 0.000 0.276 424 S C -0.088 174.507 174.600 -0.008 0.000 1.227 424 S CA -0.472 57.726 58.200 -0.004 0.000 1.050 424 S CB 0.628 63.832 63.200 0.007 0.000 0.939 424 S HN 0.310 nan 8.310 nan 0.000 0.490 425 Q N 1.324 121.120 119.800 -0.007 0.000 2.345 425 Q HA 0.556 4.896 4.340 -0.001 0.000 0.268 425 Q C 0.490 176.489 176.000 -0.002 0.000 1.054 425 Q CA -0.681 55.117 55.803 -0.008 0.000 0.835 425 Q CB 1.741 30.472 28.738 -0.012 0.000 1.339 425 Q HN 0.654 nan 8.270 nan 0.000 0.447 426 A N 0.461 123.280 122.820 -0.002 0.000 2.081 426 A HA 0.457 4.776 4.320 -0.001 0.000 0.214 426 A C 0.697 178.282 177.584 0.001 0.000 1.158 426 A CA 1.196 53.234 52.037 0.002 0.000 0.724 426 A CB 0.230 19.231 19.000 0.001 0.000 0.826 426 A HN 0.652 nan 8.150 nan 0.000 0.463 427 A N 0.000 122.819 122.820 -0.002 0.000 2.254 427 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 427 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 427 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 427 A HN 0.000 nan 8.150 nan 0.000 0.486