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 1xip_1_A DATA FIRST_RESID 1 DATA SEQUENCE ASSLKDEVPT ETSEDFGFKF LGQKQILPSF NEKLPFASLQ NLDISNSKSL DATA SEQUENCE FVAASGSKAV VGELQLLRDH ITSDSTPLTF KWEKEIPDVI FVCFHGDQVL DATA SEQUENCE VSTRNALYSL DLEELSEFRT VTSFEKPVFQ LKNVNNTLVI LNSVNDLSAL DATA SEQUENCE DLRTKSTKQL AQNVTSFDVT NSQLAVLLKD RSFQSFAWRN GEXEKQFEFS DATA SEQUENCE LPSELEELPV EEYSPLSVTI LSPQDFLAVF GNVISETDDE VSYDQKXYII DATA SEQUENCE KHIDGSASFQ ETFDITPPFG QIVRFPYXYK VTLSGLIEPD ANVNVLASSC DATA SEQUENCE SSEVSIWDSK QVIEPSQDSE RAVLPISEET DKDTNPIGVA VDVVTSGXXX DATA SEQUENCE XXXXXXXXXX XLPLVYILNN EGSLQIVGLF H 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.608 177.584 0.040 0.000 1.274 1 A CA 0.000 52.062 52.037 0.042 0.000 0.836 1 A CB 0.000 19.047 19.000 0.079 0.000 0.831 2 S N 1.261 116.991 115.700 0.050 0.000 2.554 2 S HA 0.604 5.075 4.470 0.000 0.000 0.278 2 S C 0.128 174.717 174.600 -0.019 0.000 1.242 2 S CA 0.394 58.623 58.200 0.048 0.000 1.051 2 S CB 1.191 64.446 63.200 0.091 0.000 0.986 2 S HN 1.170 nan 8.310 nan 0.000 0.502 3 S N 3.671 119.379 115.700 0.013 0.000 2.542 3 S HA 0.616 5.086 4.470 0.000 0.000 0.293 3 S C -0.901 173.717 174.600 0.030 0.000 1.089 3 S CA -0.907 57.288 58.200 -0.007 0.000 0.961 3 S CB 1.060 64.261 63.200 0.002 0.000 1.062 3 S HN 0.605 nan 8.310 nan 0.000 0.483 4 L N 3.210 124.429 121.223 -0.007 0.000 2.264 4 L HA 0.568 4.908 4.340 0.000 0.000 0.289 4 L C -0.342 176.569 176.870 0.068 0.000 1.044 4 L CA -0.229 54.637 54.840 0.043 0.000 0.807 4 L CB 0.970 43.024 42.059 -0.009 0.000 1.192 4 L HN 0.912 nan 8.230 nan 0.000 0.425 5 K N 2.682 123.147 120.400 0.107 0.000 2.380 5 K HA 0.324 4.644 4.320 0.000 0.000 0.243 5 K C -0.983 175.673 176.600 0.093 0.000 1.071 5 K CA -0.945 55.390 56.287 0.081 0.000 0.942 5 K CB 0.968 33.510 32.500 0.071 0.000 1.324 5 K HN 0.530 nan 8.250 nan 0.000 0.517 6 D N 1.577 122.022 120.400 0.075 0.000 2.368 6 D HA -0.033 4.607 4.640 0.000 0.000 0.240 6 D C -0.298 176.057 176.300 0.091 0.000 1.169 6 D CA 0.323 54.370 54.000 0.078 0.000 0.906 6 D CB 0.604 41.440 40.800 0.059 0.000 1.187 6 D HN 0.150 nan 8.370 nan 0.000 0.435 7 E N 0.494 120.754 120.200 0.099 0.000 2.829 7 E HA -0.064 4.286 4.350 0.000 0.000 0.264 7 E C -0.535 176.119 176.600 0.092 0.000 0.922 7 E CA 0.033 56.495 56.400 0.103 0.000 0.960 7 E CB 0.522 30.303 29.700 0.136 0.000 0.918 7 E HN 0.178 nan 8.360 nan 0.000 0.497 8 V N 5.642 125.610 119.914 0.090 0.000 2.572 8 V HA 0.126 4.247 4.120 0.000 0.000 0.291 8 V C -1.904 174.251 176.094 0.101 0.000 1.039 8 V CA -1.264 61.102 62.300 0.111 0.000 1.055 8 V CB 0.375 32.298 31.823 0.167 0.000 0.969 8 V HN 0.612 nan 8.190 nan 0.000 0.482 9 P HA 0.423 nan 4.420 nan 0.000 0.282 9 P C -0.491 176.834 177.300 0.041 0.000 1.259 9 P CA -0.455 62.678 63.100 0.054 0.000 0.826 9 P CB 0.778 32.497 31.700 0.030 0.000 1.064 10 T N 0.956 115.533 114.554 0.037 0.000 2.758 10 T HA 0.245 4.595 4.350 0.000 0.000 0.285 10 T C -0.361 174.341 174.700 0.002 0.000 0.981 10 T CA -0.438 61.676 62.100 0.023 0.000 0.965 10 T CB 0.495 69.391 68.868 0.045 0.000 0.927 10 T HN 0.387 nan 8.240 nan 0.000 0.448 11 E N 2.718 122.903 120.200 -0.025 0.000 2.229 11 E HA 0.226 4.576 4.350 0.000 0.000 0.283 11 E C -0.598 175.997 176.600 -0.009 0.000 1.030 11 E CA -0.485 55.901 56.400 -0.024 0.000 0.836 11 E CB 0.668 30.339 29.700 -0.048 0.000 1.068 11 E HN 0.431 nan 8.360 nan 0.000 0.401 12 T N 3.054 117.611 114.554 0.006 0.000 2.729 12 T HA 0.160 4.510 4.350 0.000 0.000 0.296 12 T C -0.283 174.433 174.700 0.026 0.000 0.928 12 T CA -0.218 61.893 62.100 0.018 0.000 1.045 12 T CB 1.044 69.924 68.868 0.020 0.000 0.902 12 T HN 0.239 nan 8.240 nan 0.000 0.500 13 S N 1.996 117.725 115.700 0.048 0.000 2.473 13 S HA 0.304 4.775 4.470 0.000 0.000 0.307 13 S C 0.575 175.210 174.600 0.058 0.000 1.094 13 S CA -0.734 57.509 58.200 0.072 0.000 1.070 13 S CB 1.440 64.758 63.200 0.196 0.000 1.019 13 S HN 0.810 nan 8.310 nan 0.000 0.480 14 E N 2.070 122.282 120.200 0.020 0.000 2.437 14 E HA 0.131 4.481 4.350 0.000 0.000 0.189 14 E C -0.194 176.399 176.600 -0.012 0.000 1.054 14 E CA 0.253 56.668 56.400 0.024 0.000 0.874 14 E CB 0.277 29.986 29.700 0.015 0.000 1.011 14 E HN 0.578 nan 8.360 nan 0.000 0.474 15 D N -0.698 119.627 120.400 -0.125 0.000 2.433 15 D HA 0.082 4.722 4.640 0.000 0.000 0.211 15 D C -0.536 175.429 176.300 -0.559 0.000 1.114 15 D CA 0.165 53.925 54.000 -0.400 0.000 0.837 15 D CB 0.470 40.847 40.800 -0.703 0.000 0.984 15 D HN 0.083 nan 8.370 nan 0.000 0.505 16 F N 0.444 120.230 119.950 -0.273 0.000 2.520 16 F HA 0.620 5.147 4.527 0.000 0.000 0.322 16 F C 0.771 176.078 175.800 -0.823 0.000 1.103 16 F CA -0.546 57.122 58.000 -0.553 0.000 0.926 16 F CB 2.715 41.491 39.000 -0.373 0.000 1.154 16 F HN -0.193 nan 8.300 nan 0.000 0.453 17 G N 1.972 109.932 108.800 -1.400 0.000 2.601 17 G HA2 0.540 4.500 3.960 0.000 0.000 0.291 17 G HA3 0.540 4.500 3.960 0.000 0.000 0.291 17 G C -2.186 172.202 174.900 -0.854 0.000 1.456 17 G CA -0.729 43.763 45.100 -1.014 0.000 0.804 17 G HN 0.303 nan 8.290 nan 0.000 0.499 18 F N 0.753 120.673 119.950 -0.050 0.000 2.422 18 F HA 0.617 5.145 4.527 0.000 0.000 0.333 18 F C 0.689 176.647 175.800 0.262 0.000 1.095 18 F CA -0.658 57.407 58.000 0.109 0.000 1.038 18 F CB 2.241 41.297 39.000 0.093 0.000 1.156 18 F HN -0.001 nan 8.300 nan 0.000 0.483 19 K N 3.823 124.494 120.400 0.452 0.000 2.339 19 K HA 0.218 4.538 4.320 0.000 0.000 0.264 19 K C -1.246 175.528 176.600 0.289 0.000 0.986 19 K CA -0.726 55.767 56.287 0.344 0.000 0.866 19 K CB 0.919 33.578 32.500 0.265 0.000 1.103 19 K HN 0.568 nan 8.250 nan 0.000 0.441 20 F N 5.684 125.711 119.950 0.128 0.000 2.506 20 F HA -0.004 4.523 4.527 0.000 0.000 0.369 20 F C 0.689 176.508 175.800 0.033 0.000 1.114 20 F CA -0.236 57.803 58.000 0.064 0.000 1.121 20 F CB 0.387 39.409 39.000 0.037 0.000 1.104 20 F HN 0.552 nan 8.300 nan 0.000 0.564 21 L N 4.846 125.761 121.223 -0.513 0.000 2.249 21 L HA 0.421 4.761 4.340 0.000 0.000 0.207 21 L C 1.184 177.650 176.870 -0.674 0.000 1.090 21 L CA 1.073 55.651 54.840 -0.436 0.000 0.802 21 L CB -0.820 41.079 42.059 -0.266 0.000 0.947 21 L HN 0.815 nan 8.230 nan 0.000 0.453 22 G N -1.482 106.597 108.800 -1.202 0.000 2.336 22 G HA2 0.374 4.334 3.960 0.000 0.000 0.300 22 G HA3 0.374 4.334 3.960 0.000 0.000 0.300 22 G C -1.675 172.860 174.900 -0.609 0.000 1.375 22 G CA -0.629 43.921 45.100 -0.918 0.000 0.885 22 G HN -0.035 nan 8.290 nan 0.000 0.599 23 Q N -0.492 119.202 119.800 -0.177 0.000 2.327 23 Q HA 0.669 5.009 4.340 0.000 0.000 0.265 23 Q C -1.474 174.520 176.000 -0.010 0.000 0.993 23 Q CA -0.706 55.096 55.803 -0.002 0.000 0.885 23 Q CB 1.895 30.786 28.738 0.255 0.000 1.379 23 Q HN 0.571 nan 8.270 nan 0.000 0.408 24 K N 1.733 122.123 120.400 -0.016 0.000 2.546 24 K HA 0.219 4.539 4.320 0.000 0.000 0.264 24 K C -1.692 174.943 176.600 0.059 0.000 0.937 24 K CA -0.758 55.531 56.287 0.004 0.000 0.833 24 K CB 2.362 34.821 32.500 -0.067 0.000 1.378 24 K HN 0.580 nan 8.250 nan 0.000 0.432 25 Q N 3.199 123.045 119.800 0.077 0.000 2.293 25 Q HA 0.166 4.506 4.340 0.000 0.000 0.263 25 Q C 0.324 176.402 176.000 0.131 0.000 1.002 25 Q CA 0.082 55.938 55.803 0.089 0.000 0.910 25 Q CB 0.369 29.150 28.738 0.071 0.000 1.185 25 Q HN 0.684 nan 8.270 nan 0.000 0.401 26 I N 1.348 122.001 120.570 0.137 0.000 4.181 26 I HA 0.329 4.500 4.170 0.000 0.000 0.331 26 I C -0.583 175.653 176.117 0.198 0.000 1.312 26 I CA -0.191 61.221 61.300 0.186 0.000 1.146 26 I CB 0.516 38.636 38.000 0.201 0.000 1.074 26 I HN 0.375 nan 8.210 nan 0.000 0.402 27 L N 1.044 122.335 121.223 0.112 0.000 2.479 27 L HA 0.600 4.940 4.340 0.000 0.000 0.255 27 L C -2.656 174.208 176.870 -0.011 0.000 1.026 27 L CA -1.990 52.877 54.840 0.044 0.000 0.842 27 L CB 2.476 44.543 42.059 0.014 0.000 1.444 27 L HN -0.228 nan 8.230 nan 0.000 0.409 28 P HA 0.040 nan 4.420 nan 0.000 0.272 28 P C -0.586 176.623 177.300 -0.151 0.000 1.223 28 P CA -0.100 62.944 63.100 -0.094 0.000 0.784 28 P CB 1.218 32.845 31.700 -0.121 0.000 0.923 29 S N 0.822 116.468 115.700 -0.090 0.000 2.603 29 S HA 0.209 4.679 4.470 0.000 0.000 0.268 29 S C 0.651 175.186 174.600 -0.109 0.000 1.317 29 S CA -0.411 57.761 58.200 -0.047 0.000 1.012 29 S CB -0.348 62.873 63.200 0.034 0.000 0.926 29 S HN 0.247 nan 8.310 nan 0.000 0.539 30 F N 1.865 121.844 119.950 0.047 0.000 2.811 30 F HA 0.242 4.769 4.527 0.000 0.000 0.301 30 F C 1.249 177.079 175.800 0.050 0.000 1.151 30 F CA 0.142 58.172 58.000 0.051 0.000 1.412 30 F CB -0.906 38.133 39.000 0.065 0.000 1.113 30 F HN 0.693 nan 8.300 nan 0.000 0.579 31 N N 1.365 120.180 118.700 0.192 0.000 2.708 31 N HA -0.317 4.423 4.740 0.000 0.000 0.251 31 N C 0.093 175.687 175.510 0.140 0.000 1.017 31 N CA 0.837 53.966 53.050 0.133 0.000 0.742 31 N CB -1.184 37.357 38.487 0.090 0.000 0.943 31 N HN 0.510 nan 8.380 nan 0.000 0.539 32 E N -3.313 116.989 120.200 0.170 0.000 4.028 32 E HA -0.288 4.062 4.350 0.000 0.000 0.343 32 E C 0.011 176.683 176.600 0.120 0.000 0.700 32 E CA 0.969 57.447 56.400 0.131 0.000 1.288 32 E CB -0.724 29.035 29.700 0.098 0.000 1.677 32 E HN 0.560 nan 8.360 nan 0.000 0.424 33 K N 1.693 122.185 120.400 0.153 0.000 2.354 33 K HA 0.301 4.621 4.320 0.000 0.000 0.257 33 K C -0.679 175.997 176.600 0.127 0.000 1.062 33 K CA -0.319 56.048 56.287 0.134 0.000 0.971 33 K CB 0.450 33.031 32.500 0.135 0.000 1.305 33 K HN -0.062 nan 8.250 nan 0.000 0.449 34 L N 4.337 125.551 121.223 -0.015 0.000 2.334 34 L HA 0.511 4.851 4.340 0.000 0.000 0.272 34 L C -2.087 174.734 176.870 -0.081 0.000 1.020 34 L CA -2.295 52.370 54.840 -0.291 0.000 0.812 34 L CB 1.099 42.948 42.059 -0.350 0.000 1.264 34 L HN 0.509 nan 8.230 nan 0.000 0.439 35 P HA 0.026 nan 4.420 nan 0.000 0.267 35 P C -0.374 176.974 177.300 0.080 0.000 1.209 35 P CA -0.117 63.008 63.100 0.042 0.000 0.763 35 P CB 0.086 31.808 31.700 0.038 0.000 0.816 36 F N 4.118 124.069 119.950 0.002 0.000 2.685 36 F HA 0.399 4.926 4.527 0.000 0.000 0.349 36 F C 0.379 176.115 175.800 -0.108 0.000 1.294 36 F CA 0.157 58.168 58.000 0.019 0.000 1.201 36 F CB -0.933 38.109 39.000 0.070 0.000 1.615 36 F HN 0.374 nan 8.300 nan 0.000 0.674 37 A N 1.873 124.443 122.820 -0.417 0.000 2.586 37 A HA 0.583 4.903 4.320 0.000 0.000 0.290 37 A C -0.611 176.698 177.584 -0.458 0.000 1.086 37 A CA -0.443 51.176 52.037 -0.696 0.000 0.665 37 A CB 0.518 19.337 19.000 -0.302 0.000 1.279 37 A HN 0.487 nan 8.150 nan 0.000 0.423 38 S N 0.215 115.634 115.700 -0.467 0.000 2.548 38 S HA 0.635 5.105 4.470 0.000 0.000 0.277 38 S C -0.322 174.092 174.600 -0.310 0.000 1.315 38 S CA -0.276 57.771 58.200 -0.254 0.000 1.050 38 S CB -0.075 62.879 63.200 -0.410 0.000 0.918 38 S HN 0.673 nan 8.310 nan 0.000 0.497 39 L N 2.510 123.632 121.223 -0.169 0.000 2.329 39 L HA 0.505 4.845 4.340 0.000 0.000 0.279 39 L C 0.192 177.110 176.870 0.079 0.000 1.014 39 L CA -0.502 54.329 54.840 -0.015 0.000 0.814 39 L CB 1.492 43.587 42.059 0.060 0.000 1.257 39 L HN 0.723 nan 8.230 nan 0.000 0.424 40 Q N 2.318 122.171 119.800 0.089 0.000 3.300 40 Q HA 0.250 4.590 4.340 0.000 0.000 0.271 40 Q C -0.528 175.508 176.000 0.059 0.000 0.926 40 Q CA -0.236 55.648 55.803 0.136 0.000 0.788 40 Q CB 0.799 29.581 28.738 0.073 0.000 1.385 40 Q HN 0.500 nan 8.270 nan 0.000 0.424 41 N N 1.115 119.888 118.700 0.120 0.000 2.320 41 N HA 0.203 4.943 4.740 0.000 0.000 0.237 41 N C -1.186 174.385 175.510 0.102 0.000 1.129 41 N CA 0.144 53.257 53.050 0.106 0.000 0.854 41 N CB 0.591 39.186 38.487 0.180 0.000 1.083 41 N HN 0.326 nan 8.380 nan 0.000 0.504 42 L N -0.664 120.609 121.223 0.083 0.000 2.526 42 L HA 0.548 4.888 4.340 0.000 0.000 0.263 42 L C -1.901 175.025 176.870 0.094 0.000 0.943 42 L CA -0.525 54.387 54.840 0.119 0.000 0.859 42 L CB 2.162 44.310 42.059 0.148 0.000 1.313 42 L HN -0.204 nan 8.230 nan 0.000 0.406 43 D N 3.522 123.998 120.400 0.127 0.000 2.596 43 D HA 0.658 5.298 4.640 0.000 0.000 0.234 43 D C -1.458 175.057 176.300 0.358 0.000 1.181 43 D CA -0.104 53.998 54.000 0.171 0.000 0.856 43 D CB 2.411 43.256 40.800 0.075 0.000 1.498 43 D HN 0.548 nan 8.370 nan 0.000 0.446 44 I N 1.043 121.793 120.570 0.300 0.000 2.582 44 I HA 0.306 4.476 4.170 0.000 0.000 0.292 44 I C -0.716 175.416 176.117 0.026 0.000 1.066 44 I CA -0.837 60.573 61.300 0.184 0.000 1.053 44 I CB 2.177 40.147 38.000 -0.050 0.000 1.241 44 I HN 0.240 nan 8.210 nan 0.000 0.421 45 S N 5.077 120.584 115.700 -0.320 0.000 2.566 45 S HA 0.329 4.799 4.470 0.000 0.000 0.324 45 S C 0.500 174.938 174.600 -0.270 0.000 1.081 45 S CA -0.691 57.241 58.200 -0.448 0.000 1.105 45 S CB 0.594 63.160 63.200 -1.056 0.000 0.981 45 S HN 0.605 nan 8.310 nan 0.000 0.464 46 N N 3.032 121.644 118.700 -0.147 0.000 2.396 46 N HA -0.095 4.646 4.740 0.000 0.000 0.180 46 N C 1.861 177.317 175.510 -0.088 0.000 1.028 46 N CA 1.384 54.378 53.050 -0.094 0.000 0.893 46 N CB -0.035 38.421 38.487 -0.052 0.000 0.967 46 N HN 0.807 nan 8.380 nan 0.000 0.440 47 S N 0.685 116.321 115.700 -0.107 0.000 2.377 47 S HA 0.048 4.518 4.470 0.000 0.000 0.223 47 S C 1.729 176.270 174.600 -0.098 0.000 1.030 47 S CA 0.598 58.748 58.200 -0.084 0.000 0.970 47 S CB -0.036 63.120 63.200 -0.074 0.000 0.830 47 S HN 0.126 nan 8.310 nan 0.000 0.473 48 K N 0.860 121.163 120.400 -0.161 0.000 2.400 48 K HA 0.257 4.577 4.320 0.000 0.000 0.194 48 K C 0.278 176.806 176.600 -0.120 0.000 1.033 48 K CA 0.441 56.636 56.287 -0.153 0.000 1.021 48 K CB 0.042 32.401 32.500 -0.235 0.000 0.808 48 K HN 0.300 nan 8.250 nan 0.000 0.505 49 S N 0.838 116.465 115.700 -0.121 0.000 3.711 49 S HA -0.130 4.340 4.470 0.000 0.000 0.374 49 S C -0.498 174.086 174.600 -0.027 0.000 0.969 49 S CA 0.277 58.442 58.200 -0.057 0.000 1.198 49 S CB -1.150 62.043 63.200 -0.012 0.000 0.903 49 S HN 0.223 nan 8.310 nan 0.000 0.493 50 L N 1.246 122.407 121.223 -0.103 0.000 2.359 50 L HA 0.914 5.255 4.340 0.000 0.000 0.256 50 L C -0.223 176.765 176.870 0.196 0.000 1.026 50 L CA -1.222 53.624 54.840 0.009 0.000 0.828 50 L CB 1.759 43.775 42.059 -0.072 0.000 1.406 50 L HN 0.370 nan 8.230 nan 0.000 0.413 51 F N -0.392 119.740 119.950 0.302 0.000 2.588 51 F HA 0.860 5.387 4.527 0.000 0.000 0.310 51 F C -1.018 175.022 175.800 0.399 0.000 1.082 51 F CA -1.064 57.177 58.000 0.402 0.000 0.929 51 F CB 1.227 40.362 39.000 0.225 0.000 1.254 51 F HN 0.075 nan 8.300 nan 0.000 0.455 52 V N 0.938 120.997 119.914 0.243 0.000 2.667 52 V HA 1.005 5.125 4.120 0.000 0.000 0.308 52 V C -0.255 175.978 176.094 0.231 0.000 1.048 52 V CA -0.694 61.614 62.300 0.013 0.000 0.928 52 V CB 0.799 32.465 31.823 -0.261 0.000 1.004 52 V HN 1.392 nan 8.190 nan 0.000 0.444 53 A N 2.092 125.039 122.820 0.212 0.000 2.574 53 A HA 0.996 5.316 4.320 0.000 0.000 0.297 53 A C -0.691 176.966 177.584 0.121 0.000 1.062 53 A CA -0.186 51.985 52.037 0.222 0.000 0.686 53 A CB 1.846 21.060 19.000 0.357 0.000 1.285 53 A HN 2.194 nan 8.150 nan 0.000 0.403 54 A N 0.544 123.432 122.820 0.113 0.000 2.408 54 A HA 0.890 5.210 4.320 0.000 0.000 0.295 54 A C -0.516 177.125 177.584 0.095 0.000 1.040 54 A CA 0.035 52.118 52.037 0.077 0.000 0.707 54 A CB 1.451 20.518 19.000 0.110 0.000 1.235 54 A HN 1.974 nan 8.150 nan 0.000 0.418 55 S N 1.002 116.666 115.700 -0.059 0.000 2.541 55 S HA 0.609 5.080 4.470 0.000 0.000 0.271 55 S C 0.483 174.689 174.600 -0.657 0.000 1.133 55 S CA 0.609 58.629 58.200 -0.301 0.000 0.876 55 S CB 1.256 64.376 63.200 -0.133 0.000 1.105 55 S HN 2.626 nan 8.310 nan 0.000 0.470 56 G N 2.169 110.027 108.800 -1.571 0.000 2.395 56 G HA2 -0.209 3.751 3.960 0.000 0.000 0.300 56 G HA3 -0.209 3.751 3.960 0.000 0.000 0.300 56 G C 0.639 175.286 174.900 -0.422 0.000 0.998 56 G CA 1.072 45.590 45.100 -0.970 0.000 1.046 56 G HN 1.712 nan 8.290 nan 0.000 0.513 57 S N -2.215 113.317 115.700 -0.279 0.000 2.769 57 S HA -0.223 4.247 4.470 0.000 0.000 0.264 57 S C 0.885 175.399 174.600 -0.144 0.000 1.288 57 S CA 2.013 60.145 58.200 -0.114 0.000 1.378 57 S CB -0.624 62.528 63.200 -0.080 0.000 1.702 57 S HN 1.143 nan 8.310 nan 0.000 0.656 58 K N 1.489 121.774 120.400 -0.191 0.000 2.240 58 K HA 0.663 4.984 4.320 0.000 0.000 0.271 58 K C -0.292 176.190 176.600 -0.197 0.000 1.018 58 K CA 0.090 56.245 56.287 -0.219 0.000 0.874 58 K CB 1.134 33.493 32.500 -0.235 0.000 1.098 58 K HN 0.285 nan 8.250 nan 0.000 0.458 59 A N 3.337 126.029 122.820 -0.215 0.000 2.312 59 A HA 0.619 4.939 4.320 0.000 0.000 0.326 59 A C -0.701 176.738 177.584 -0.241 0.000 1.172 59 A CA -0.663 51.303 52.037 -0.120 0.000 0.821 59 A CB 1.023 20.049 19.000 0.043 0.000 1.166 59 A HN 0.549 nan 8.150 nan 0.000 0.493 60 V N 0.112 119.951 119.914 -0.124 0.000 2.888 60 V HA 0.804 4.924 4.120 0.000 0.000 0.309 60 V C -0.742 175.359 176.094 0.013 0.000 1.114 60 V CA -0.761 61.413 62.300 -0.210 0.000 0.940 60 V CB 1.257 32.584 31.823 -0.827 0.000 1.021 60 V HN 0.665 nan 8.190 nan 0.000 0.426 61 V N 3.092 123.103 119.914 0.162 0.000 2.483 61 V HA 0.983 5.103 4.120 0.000 0.000 0.295 61 V C 0.806 176.807 176.094 -0.156 0.000 1.035 61 V CA 0.654 62.922 62.300 -0.054 0.000 0.896 61 V CB 1.278 33.132 31.823 0.052 0.000 0.986 61 V HN 1.446 nan 8.190 nan 0.000 0.447 62 G N 2.287 110.714 108.800 -0.622 0.000 2.684 62 G HA2 0.543 4.503 3.960 0.000 0.000 0.290 62 G HA3 0.543 4.503 3.960 0.000 0.000 0.290 62 G C -1.297 173.525 174.900 -0.130 0.000 1.425 62 G CA -0.507 44.375 45.100 -0.362 0.000 0.822 62 G HN 0.422 nan 8.290 nan 0.000 0.482 63 E N 0.588 120.890 120.200 0.170 0.000 2.344 63 E HA 0.097 4.447 4.350 0.000 0.000 0.270 63 E C 1.119 177.965 176.600 0.410 0.000 1.021 63 E CA -0.345 56.188 56.400 0.221 0.000 0.887 63 E CB 1.814 31.599 29.700 0.141 0.000 0.997 63 E HN 0.403 nan 8.360 nan 0.000 0.429 64 L N 2.987 124.409 121.223 0.330 0.000 2.027 64 L HA -0.249 4.091 4.340 0.000 0.000 0.206 64 L C 2.179 179.166 176.870 0.195 0.000 1.074 64 L CA 1.408 56.428 54.840 0.301 0.000 0.745 64 L CB -0.040 42.115 42.059 0.161 0.000 0.898 64 L HN 0.521 nan 8.230 nan 0.000 0.433 65 Q N -0.281 119.603 119.800 0.139 0.000 2.181 65 Q HA -0.234 4.106 4.340 0.000 0.000 0.205 65 Q C 2.008 178.070 176.000 0.104 0.000 0.980 65 Q CA 1.560 57.425 55.803 0.103 0.000 0.862 65 Q CB -0.278 28.503 28.738 0.072 0.000 0.905 65 Q HN 0.321 nan 8.270 nan 0.000 0.429 66 L N -0.276 121.022 121.223 0.124 0.000 2.027 66 L HA -0.117 4.223 4.340 0.000 0.000 0.206 66 L C 2.124 179.059 176.870 0.108 0.000 1.074 66 L CA 1.490 56.392 54.840 0.103 0.000 0.745 66 L CB -1.334 40.786 42.059 0.101 0.000 0.898 66 L HN 0.426 nan 8.230 nan 0.000 0.433 67 L N -0.139 121.160 121.223 0.126 0.000 2.046 67 L HA -0.185 4.155 4.340 0.000 0.000 0.208 67 L C 2.796 179.695 176.870 0.048 0.000 1.077 67 L CA 1.635 56.492 54.840 0.028 0.000 0.747 67 L CB -0.718 41.194 42.059 -0.246 0.000 0.896 67 L HN 0.200 nan 8.230 nan 0.000 0.432 68 R N -0.248 120.310 120.500 0.096 0.000 2.094 68 R HA -0.202 4.138 4.340 0.000 0.000 0.239 68 R C 1.896 178.197 176.300 0.000 0.000 1.137 68 R CA 2.258 58.388 56.100 0.051 0.000 0.943 68 R CB -0.625 29.745 30.300 0.117 0.000 0.850 68 R HN 0.448 nan 8.270 nan 0.000 0.433 69 D N -1.046 119.375 120.400 0.037 0.000 2.144 69 D HA -0.145 4.495 4.640 0.000 0.000 0.200 69 D C 1.804 178.117 176.300 0.022 0.000 0.978 69 D CA 1.237 55.250 54.000 0.022 0.000 0.833 69 D CB -0.428 40.395 40.800 0.039 0.000 0.961 69 D HN 0.425 nan 8.370 nan 0.000 0.470 70 H N 0.360 119.403 119.070 -0.046 0.000 2.353 70 H HA -0.046 4.510 4.556 0.000 0.000 0.300 70 H C 1.894 177.178 175.328 -0.073 0.000 1.090 70 H CA 1.268 57.282 56.048 -0.056 0.000 1.327 70 H CB -0.089 29.637 29.762 -0.060 0.000 1.383 70 H HN 0.011 nan 8.280 nan 0.000 0.508 71 I N 0.298 120.765 120.570 -0.171 0.000 2.333 71 I HA -0.157 4.013 4.170 0.000 0.000 0.246 71 I C 2.311 178.283 176.117 -0.241 0.000 1.106 71 I CA 1.715 62.861 61.300 -0.257 0.000 1.411 71 I CB -1.289 36.564 38.000 -0.245 0.000 1.082 71 I HN 0.530 nan 8.210 nan 0.000 0.420 72 T N -2.039 112.406 114.554 -0.181 0.000 3.009 72 T HA 0.052 4.402 4.350 0.000 0.000 0.258 72 T C 1.132 175.765 174.700 -0.113 0.000 1.063 72 T CA 0.392 62.398 62.100 -0.156 0.000 1.139 72 T CB -0.283 68.510 68.868 -0.125 0.000 0.890 72 T HN 0.347 nan 8.240 nan 0.000 0.471 73 S N 0.492 116.134 115.700 -0.096 0.000 2.767 73 S HA 0.565 5.035 4.470 0.000 0.000 0.300 73 S C -0.713 173.831 174.600 -0.093 0.000 1.123 73 S CA -0.719 57.438 58.200 -0.071 0.000 0.992 73 S CB 1.633 64.810 63.200 -0.039 0.000 1.138 73 S HN 0.092 nan 8.310 nan 0.000 0.550 74 D N -0.480 119.882 120.400 -0.062 0.000 2.696 74 D HA 0.322 4.962 4.640 0.000 0.000 0.269 74 D C 0.712 176.996 176.300 -0.026 0.000 1.319 74 D CA 0.088 54.050 54.000 -0.063 0.000 0.826 74 D CB 0.553 41.324 40.800 -0.049 0.000 1.086 74 D HN 0.494 nan 8.370 nan 0.000 0.481 75 S N -1.938 113.756 115.700 -0.011 0.000 2.649 75 S HA 0.071 4.541 4.470 0.000 0.000 0.246 75 S C 0.729 175.346 174.600 0.028 0.000 1.057 75 S CA -0.308 57.897 58.200 0.008 0.000 1.051 75 S CB 0.572 63.773 63.200 0.002 0.000 1.018 75 S HN 0.085 nan 8.310 nan 0.000 0.569 76 T N 2.726 117.313 114.554 0.054 0.000 2.791 76 T HA 0.693 5.044 4.350 0.000 0.000 0.288 76 T C -3.323 171.472 174.700 0.158 0.000 0.999 76 T CA -2.060 60.084 62.100 0.074 0.000 0.952 76 T CB 1.291 70.193 68.868 0.057 0.000 0.938 76 T HN -0.016 nan 8.240 nan 0.000 0.444 77 P HA 0.244 nan 4.420 nan 0.000 0.274 77 P C -0.525 176.636 177.300 -0.232 0.000 1.237 77 P CA -0.786 62.305 63.100 -0.014 0.000 0.793 77 P CB 0.552 32.225 31.700 -0.045 0.000 0.977 78 L N 2.517 123.390 121.223 -0.583 0.000 2.261 78 L HA 0.268 4.608 4.340 0.000 0.000 0.289 78 L C 0.354 176.834 176.870 -0.651 0.000 1.059 78 L CA 0.001 54.427 54.840 -0.690 0.000 0.816 78 L CB 0.243 41.741 42.059 -0.936 0.000 1.191 78 L HN 0.550 nan 8.230 nan 0.000 0.431 79 T N 0.578 114.809 114.554 -0.539 0.000 2.948 79 T HA 0.668 5.018 4.350 0.000 0.000 0.285 79 T C -0.448 173.858 174.700 -0.656 0.000 1.019 79 T CA -0.595 61.198 62.100 -0.511 0.000 1.013 79 T CB 1.786 70.534 68.868 -0.201 0.000 1.117 79 T HN 0.190 nan 8.240 nan 0.000 0.533 80 F N -0.306 119.656 119.950 0.020 0.000 2.611 80 F HA 0.592 5.119 4.527 0.000 0.000 0.324 80 F C 1.256 177.069 175.800 0.023 0.000 1.061 80 F CA -1.351 56.660 58.000 0.019 0.000 0.954 80 F CB 1.855 40.852 39.000 -0.005 0.000 1.301 80 F HN 0.388 nan 8.300 nan 0.000 0.482 81 K N 0.221 120.774 120.400 0.255 0.000 2.242 81 K HA 0.062 4.382 4.320 0.000 0.000 0.200 81 K C -0.640 176.119 176.600 0.265 0.000 1.050 81 K CA 0.660 57.063 56.287 0.194 0.000 0.981 81 K CB 0.473 33.062 32.500 0.148 0.000 0.795 81 K HN 0.725 nan 8.250 nan 0.000 0.477 82 W N 1.244 122.558 121.300 0.023 0.000 3.213 82 W HA 0.301 4.961 4.660 0.000 0.000 0.318 82 W C -1.821 174.628 176.519 -0.117 0.000 1.248 82 W CA -0.611 56.711 57.345 -0.038 0.000 1.187 82 W CB 1.399 30.832 29.460 -0.045 0.000 1.403 82 W HN 0.044 nan 8.180 nan 0.000 0.556 83 E N 3.449 122.971 120.200 -1.130 0.000 2.390 83 E HA 0.603 4.954 4.350 0.000 0.000 0.280 83 E C -2.027 173.638 176.600 -1.559 0.000 0.992 83 E CA -1.208 54.416 56.400 -1.295 0.000 0.790 83 E CB 2.493 31.776 29.700 -0.695 0.000 1.248 83 E HN 0.419 nan 8.360 nan 0.000 0.447 84 K N 1.493 121.120 120.400 -1.288 0.000 2.557 84 K HA 0.232 4.552 4.320 0.000 0.000 0.257 84 K C -1.554 174.719 176.600 -0.545 0.000 0.933 84 K CA -0.714 55.037 56.287 -0.893 0.000 0.820 84 K CB 2.000 33.895 32.500 -1.008 0.000 1.330 84 K HN 0.625 nan 8.250 nan 0.000 0.432 85 E N 4.570 124.540 120.200 -0.384 0.000 2.220 85 E HA 0.185 4.535 4.350 0.000 0.000 0.272 85 E C -1.081 175.394 176.600 -0.209 0.000 1.099 85 E CA 0.072 56.320 56.400 -0.253 0.000 0.907 85 E CB 0.262 29.846 29.700 -0.192 0.000 1.022 85 E HN 0.391 nan 8.360 nan 0.000 0.428 86 I N 6.698 127.181 120.570 -0.145 0.000 2.468 86 I HA 0.238 4.408 4.170 0.000 0.000 0.284 86 I C -1.951 174.174 176.117 0.013 0.000 1.038 86 I CA -2.246 59.017 61.300 -0.061 0.000 1.083 86 I CB 1.812 39.799 38.000 -0.022 0.000 1.223 86 I HN 0.450 nan 8.210 nan 0.000 0.443 87 P HA -0.169 nan 4.420 nan 0.000 0.213 87 P C 0.343 177.733 177.300 0.150 0.000 1.170 87 P CA 1.453 64.599 63.100 0.076 0.000 0.902 87 P CB 0.215 31.958 31.700 0.073 0.000 0.789 88 D N -0.963 119.537 120.400 0.166 0.000 3.058 88 D HA 0.130 4.770 4.640 0.000 0.000 0.272 88 D C -0.646 175.780 176.300 0.209 0.000 1.350 88 D CA -0.289 53.826 54.000 0.192 0.000 0.863 88 D CB -0.324 40.573 40.800 0.163 0.000 1.064 88 D HN -0.145 nan 8.370 nan 0.000 0.488 89 V N 1.042 121.096 119.914 0.234 0.000 2.546 89 V HA 0.323 4.443 4.120 0.000 0.000 0.284 89 V C 0.823 177.044 176.094 0.212 0.000 1.050 89 V CA -0.086 62.355 62.300 0.235 0.000 0.981 89 V CB 0.995 32.958 31.823 0.234 0.000 0.990 89 V HN 0.352 nan 8.190 nan 0.000 0.474 90 I N 2.959 123.646 120.570 0.195 0.000 4.327 90 I HA 0.606 4.776 4.170 0.000 0.000 0.331 90 I C -0.157 176.082 176.117 0.203 0.000 1.348 90 I CA -0.075 61.309 61.300 0.140 0.000 1.152 90 I CB 0.591 38.629 38.000 0.063 0.000 1.151 90 I HN 0.540 nan 8.210 nan 0.000 0.410 91 F N 1.270 121.254 119.950 0.057 0.000 2.622 91 F HA 0.767 5.294 4.527 0.000 0.000 0.318 91 F C -1.904 173.935 175.800 0.065 0.000 1.135 91 F CA -0.766 57.258 58.000 0.039 0.000 1.015 91 F CB 1.949 40.955 39.000 0.009 0.000 1.275 91 F HN -0.262 nan 8.300 nan 0.000 0.457 92 V N 5.132 124.611 119.914 -0.726 0.000 2.851 92 V HA 0.770 4.890 4.120 0.000 0.000 0.307 92 V C -1.378 174.286 176.094 -0.716 0.000 1.129 92 V CA -0.392 61.623 62.300 -0.475 0.000 0.932 92 V CB 2.006 33.721 31.823 -0.181 0.000 1.024 92 V HN 1.242 nan 8.190 nan 0.000 0.426 93 C N 4.230 123.216 119.300 -0.523 0.000 3.268 93 C HA 0.625 5.085 4.460 0.000 0.000 0.374 93 C C -1.440 173.395 174.990 -0.259 0.000 1.126 93 C CA -1.123 57.673 59.018 -0.371 0.000 1.162 93 C CB 0.226 27.763 27.740 -0.340 0.000 1.503 93 C HN 0.681 nan 8.230 nan 0.000 0.538 94 F N 3.129 123.092 119.950 0.021 0.000 2.384 94 F HA 0.587 5.114 4.527 0.000 0.000 0.338 94 F C 0.970 176.855 175.800 0.142 0.000 1.103 94 F CA 0.545 58.578 58.000 0.057 0.000 1.157 94 F CB 0.749 39.765 39.000 0.028 0.000 1.167 94 F HN 0.871 nan 8.300 nan 0.000 0.529 95 H N 2.167 121.357 119.070 0.199 0.000 3.181 95 H HA 0.366 4.922 4.556 0.000 0.000 0.331 95 H C 0.364 175.755 175.328 0.105 0.000 0.988 95 H CA 0.200 56.330 56.048 0.136 0.000 1.449 95 H CB 0.963 30.791 29.762 0.109 0.000 1.749 95 H HN 0.796 nan 8.280 nan 0.000 0.501 96 G N 5.044 113.678 108.800 -0.277 0.000 2.611 96 G HA2 -0.376 3.584 3.960 0.000 0.000 0.301 96 G HA3 -0.376 3.584 3.960 0.000 0.000 0.301 96 G C 0.252 175.121 174.900 -0.052 0.000 1.233 96 G CA 0.803 45.771 45.100 -0.220 0.000 0.993 96 G HN 0.653 nan 8.290 nan 0.000 0.553 97 D N 1.874 122.253 120.400 -0.035 0.000 2.561 97 D HA 0.425 5.065 4.640 0.000 0.000 0.232 97 D C 0.841 177.163 176.300 0.036 0.000 1.198 97 D CA 0.395 54.401 54.000 0.010 0.000 0.826 97 D CB 0.360 41.157 40.800 -0.006 0.000 0.992 97 D HN 0.432 nan 8.370 nan 0.000 0.490 98 Q N -0.415 119.427 119.800 0.069 0.000 2.484 98 Q HA 0.631 4.971 4.340 0.000 0.000 0.285 98 Q C -1.189 174.848 176.000 0.061 0.000 1.097 98 Q CA -1.088 54.748 55.803 0.054 0.000 0.802 98 Q CB 3.054 31.838 28.738 0.078 0.000 1.444 98 Q HN -0.087 nan 8.270 nan 0.000 0.429 99 V N 2.131 122.009 119.914 -0.059 0.000 2.448 99 V HA 0.421 4.541 4.120 0.000 0.000 0.295 99 V C -0.614 175.422 176.094 -0.096 0.000 1.025 99 V CA -0.668 61.529 62.300 -0.173 0.000 0.859 99 V CB 1.383 32.991 31.823 -0.359 0.000 0.988 99 V HN 0.558 nan 8.190 nan 0.000 0.431 100 L N 5.123 126.326 121.223 -0.034 0.000 2.312 100 L HA 0.683 5.023 4.340 0.000 0.000 0.281 100 L C -0.594 176.339 176.870 0.105 0.000 1.070 100 L CA -0.647 54.231 54.840 0.065 0.000 0.805 100 L CB 1.698 43.863 42.059 0.176 0.000 1.174 100 L HN 0.338 nan 8.230 nan 0.000 0.434 101 V N 1.925 121.953 119.914 0.189 0.000 2.531 101 V HA 0.411 4.531 4.120 0.000 0.000 0.301 101 V C -0.358 175.963 176.094 0.377 0.000 1.034 101 V CA -0.373 62.104 62.300 0.296 0.000 0.865 101 V CB 2.012 34.065 31.823 0.382 0.000 0.995 101 V HN 0.787 nan 8.190 nan 0.000 0.424 102 S N 2.788 118.734 115.700 0.409 0.000 2.532 102 S HA 0.721 5.191 4.470 0.000 0.000 0.299 102 S C 0.065 174.863 174.600 0.331 0.000 1.105 102 S CA -0.187 58.217 58.200 0.341 0.000 1.018 102 S CB 1.594 64.973 63.200 0.298 0.000 1.021 102 S HN 1.034 nan 8.310 nan 0.000 0.483 103 T N 2.210 116.959 114.554 0.325 0.000 2.891 103 T HA 0.440 4.790 4.350 0.000 0.000 0.294 103 T C 1.223 176.058 174.700 0.225 0.000 1.065 103 T CA -0.472 61.791 62.100 0.271 0.000 0.936 103 T CB 0.326 69.369 68.868 0.291 0.000 1.415 103 T HN 0.589 nan 8.240 nan 0.000 0.572 104 R N 0.161 120.760 120.500 0.165 0.000 2.148 104 R HA 0.104 4.444 4.340 0.000 0.000 0.227 104 R C 1.902 178.324 176.300 0.203 0.000 1.103 104 R CA 1.175 57.335 56.100 0.100 0.000 0.983 104 R CB -0.093 30.247 30.300 0.067 0.000 0.874 104 R HN 0.577 nan 8.270 nan 0.000 0.451 105 N N -1.264 117.586 118.700 0.250 0.000 2.273 105 N HA 0.158 4.898 4.740 0.000 0.000 0.192 105 N C -0.427 175.109 175.510 0.045 0.000 1.132 105 N CA 0.418 53.604 53.050 0.226 0.000 0.887 105 N CB 1.504 40.059 38.487 0.113 0.000 1.048 105 N HN 0.037 nan 8.380 nan 0.000 0.490 106 A N 0.426 123.197 122.820 -0.082 0.000 2.612 106 A HA 0.570 4.890 4.320 0.000 0.000 0.293 106 A C -1.769 175.431 177.584 -0.640 0.000 1.075 106 A CA -0.548 51.108 52.037 -0.636 0.000 0.680 106 A CB 1.378 20.043 19.000 -0.559 0.000 1.279 106 A HN 0.054 nan 8.150 nan 0.000 0.411 107 L N 1.083 121.777 121.223 -0.882 0.000 2.334 107 L HA 0.774 5.114 4.340 0.000 0.000 0.276 107 L C -1.699 174.709 176.870 -0.771 0.000 1.014 107 L CA -0.558 53.962 54.840 -0.535 0.000 0.815 107 L CB 1.511 43.384 42.059 -0.310 0.000 1.268 107 L HN 0.839 nan 8.230 nan 0.000 0.428 108 Y N 1.433 121.652 120.300 -0.134 0.000 2.545 108 Y HA 0.407 4.958 4.550 0.000 0.000 0.348 108 Y C -0.022 175.670 175.900 -0.346 0.000 1.002 108 Y CA -0.696 57.196 58.100 -0.346 0.000 1.039 108 Y CB 2.365 40.499 38.460 -0.543 0.000 1.271 108 Y HN 0.373 nan 8.280 nan 0.000 0.467 109 S N 2.018 117.538 115.700 -0.300 0.000 2.502 109 S HA 0.627 5.098 4.470 0.000 0.000 0.304 109 S C -1.674 172.743 174.600 -0.304 0.000 1.097 109 S CA -0.546 57.519 58.200 -0.226 0.000 1.045 109 S CB 0.766 63.882 63.200 -0.140 0.000 1.019 109 S HN 0.531 nan 8.310 nan 0.000 0.481 110 L N 4.029 125.127 121.223 -0.208 0.000 2.313 110 L HA 0.621 4.961 4.340 0.000 0.000 0.283 110 L C -0.685 176.088 176.870 -0.162 0.000 1.013 110 L CA -0.355 54.367 54.840 -0.197 0.000 0.816 110 L CB 1.462 43.271 42.059 -0.416 0.000 1.236 110 L HN 0.442 nan 8.230 nan 0.000 0.419 111 D N 3.979 124.312 120.400 -0.112 0.000 2.317 111 D HA 0.155 4.795 4.640 0.000 0.000 0.252 111 D C 0.846 177.101 176.300 -0.075 0.000 1.174 111 D CA 0.169 54.130 54.000 -0.066 0.000 0.866 111 D CB 1.178 41.958 40.800 -0.033 0.000 1.127 111 D HN 0.695 nan 8.370 nan 0.000 0.467 112 L N 2.872 124.068 121.223 -0.045 0.000 2.478 112 L HA 0.038 4.378 4.340 0.000 0.000 0.223 112 L C 1.750 178.613 176.870 -0.011 0.000 1.140 112 L CA 0.629 55.451 54.840 -0.030 0.000 0.842 112 L CB 0.130 42.203 42.059 0.024 0.000 0.953 112 L HN 0.446 nan 8.230 nan 0.000 0.452 113 E N -0.689 119.506 120.200 -0.008 0.000 2.431 113 E HA 0.040 4.390 4.350 0.000 0.000 0.200 113 E C 0.349 176.953 176.600 0.006 0.000 0.995 113 E CA 0.049 56.450 56.400 0.001 0.000 0.915 113 E CB 0.677 30.378 29.700 0.002 0.000 0.930 113 E HN 0.201 nan 8.360 nan 0.000 0.496 114 E N 0.989 121.190 120.200 0.001 0.000 2.873 114 E HA 0.139 4.489 4.350 0.000 0.000 0.232 114 E C 0.225 176.834 176.600 0.014 0.000 1.123 114 E CA -0.077 56.331 56.400 0.014 0.000 0.809 114 E CB 0.503 30.212 29.700 0.016 0.000 1.366 114 E HN 0.132 nan 8.360 nan 0.000 0.400 115 L N 1.322 122.558 121.223 0.021 0.000 2.651 115 L HA -0.151 4.189 4.340 0.000 0.000 0.236 115 L C 2.038 178.974 176.870 0.110 0.000 1.173 115 L CA 0.912 55.760 54.840 0.015 0.000 0.843 115 L CB -0.321 41.781 42.059 0.071 0.000 0.964 115 L HN 0.367 nan 8.230 nan 0.000 0.454 116 S N -1.771 113.991 115.700 0.104 0.000 2.453 116 S HA -0.041 4.429 4.470 0.000 0.000 0.231 116 S C 0.799 175.484 174.600 0.141 0.000 1.005 116 S CA 0.412 58.688 58.200 0.127 0.000 0.949 116 S CB -0.164 63.087 63.200 0.085 0.000 0.774 116 S HN 0.365 nan 8.310 nan 0.000 0.510 117 E N 1.204 121.466 120.200 0.104 0.000 2.001 117 E HA 0.285 4.635 4.350 0.000 0.000 0.279 117 E C -1.684 175.001 176.600 0.140 0.000 1.045 117 E CA -0.218 56.240 56.400 0.098 0.000 0.833 117 E CB 0.574 30.298 29.700 0.040 0.000 1.077 117 E HN 0.413 nan 8.360 nan 0.000 0.397 118 F N 3.895 123.867 119.950 0.037 0.000 2.359 118 F HA 0.286 4.814 4.527 0.000 0.000 0.370 118 F C 0.050 175.890 175.800 0.067 0.000 1.077 118 F CA -0.645 57.381 58.000 0.044 0.000 1.136 118 F CB 0.408 39.478 39.000 0.117 0.000 1.387 118 F HN 0.123 nan 8.300 nan 0.000 0.468 119 R N 2.309 122.664 120.500 -0.242 0.000 2.486 119 R HA 0.420 4.760 4.340 0.000 0.000 0.286 119 R C -0.159 176.063 176.300 -0.130 0.000 0.999 119 R CA -0.715 55.309 56.100 -0.127 0.000 0.993 119 R CB 1.502 31.748 30.300 -0.088 0.000 1.084 119 R HN 0.417 nan 8.270 nan 0.000 0.487 120 T N 1.740 116.295 114.554 0.002 0.000 2.814 120 T HA 0.065 4.415 4.350 0.000 0.000 0.297 120 T C 1.382 175.981 174.700 -0.168 0.000 0.956 120 T CA -0.395 61.679 62.100 -0.042 0.000 1.123 120 T CB 1.220 70.086 68.868 -0.002 0.000 0.902 120 T HN 0.283 nan 8.240 nan 0.000 0.528 121 V N 2.693 122.442 119.914 -0.274 0.000 2.374 121 V HA 0.171 4.291 4.120 0.000 0.000 0.241 121 V C 1.301 177.241 176.094 -0.257 0.000 1.034 121 V CA 0.912 63.076 62.300 -0.227 0.000 1.037 121 V CB 0.120 31.817 31.823 -0.211 0.000 0.682 121 V HN 0.922 nan 8.190 nan 0.000 0.463 122 T N -1.976 112.343 114.554 -0.391 0.000 2.749 122 T HA 0.439 4.789 4.350 0.000 0.000 0.310 122 T C -1.220 173.101 174.700 -0.633 0.000 1.496 122 T CA -0.268 61.584 62.100 -0.413 0.000 1.006 122 T CB 1.982 70.650 68.868 -0.334 0.000 1.457 122 T HN 0.157 nan 8.240 nan 0.000 0.497 123 S N 0.701 116.087 115.700 -0.524 0.000 2.621 123 S HA 0.840 5.310 4.470 0.000 0.000 0.302 123 S C -1.361 172.920 174.600 -0.531 0.000 1.093 123 S CA -0.469 57.390 58.200 -0.568 0.000 1.017 123 S CB 0.523 63.558 63.200 -0.275 0.000 1.077 123 S HN 0.446 nan 8.310 nan 0.000 0.517 124 F N 1.533 121.411 119.950 -0.120 0.000 2.443 124 F HA 0.344 4.871 4.527 0.000 0.000 0.335 124 F C 1.650 177.389 175.800 -0.101 0.000 1.104 124 F CA -1.128 56.799 58.000 -0.122 0.000 1.013 124 F CB 0.866 39.782 39.000 -0.141 0.000 1.136 124 F HN 0.695 nan 8.300 nan 0.000 0.470 125 E N 1.062 121.311 120.200 0.081 0.000 2.204 125 E HA -0.072 4.278 4.350 0.000 0.000 0.195 125 E C -0.120 176.482 176.600 0.003 0.000 0.990 125 E CA 0.950 57.359 56.400 0.016 0.000 0.821 125 E CB 0.130 29.825 29.700 -0.009 0.000 0.750 125 E HN 0.384 nan 8.360 nan 0.000 0.477 126 K N 0.901 121.299 120.400 -0.004 0.000 2.469 126 K HA 0.368 4.688 4.320 0.000 0.000 0.254 126 K C -2.832 173.706 176.600 -0.104 0.000 0.939 126 K CA -2.565 53.685 56.287 -0.062 0.000 0.812 126 K CB 2.045 34.477 32.500 -0.114 0.000 1.301 126 K HN -0.220 nan 8.250 nan 0.000 0.433 127 P HA -0.038 nan 4.420 nan 0.000 0.266 127 P C -0.599 176.453 177.300 -0.412 0.000 1.186 127 P CA -0.088 62.906 63.100 -0.177 0.000 0.767 127 P CB 0.445 32.062 31.700 -0.138 0.000 0.820 128 V N 3.731 123.392 119.914 -0.420 0.000 2.581 128 V HA 0.246 4.366 4.120 0.000 0.000 0.303 128 V C 0.625 176.482 176.094 -0.396 0.000 1.041 128 V CA -0.036 61.928 62.300 -0.562 0.000 0.907 128 V CB 1.306 32.659 31.823 -0.783 0.000 0.994 128 V HN 0.430 nan 8.190 nan 0.000 0.442 129 F N 1.008 120.738 119.950 -0.367 0.000 2.437 129 F HA 0.350 4.877 4.527 0.000 0.000 0.288 129 F C 0.963 176.498 175.800 -0.441 0.000 1.085 129 F CA 0.253 57.938 58.000 -0.524 0.000 1.430 129 F CB 0.234 38.927 39.000 -0.512 0.000 1.120 129 F HN 0.406 nan 8.300 nan 0.000 0.556 130 Q N 0.183 119.938 119.800 -0.075 0.000 2.320 130 Q HA 0.561 4.901 4.340 0.000 0.000 0.272 130 Q C -2.041 173.935 176.000 -0.039 0.000 1.023 130 Q CA -0.483 55.278 55.803 -0.071 0.000 0.855 130 Q CB 2.505 31.261 28.738 0.029 0.000 1.367 130 Q HN 0.055 nan 8.270 nan 0.000 0.406 131 L N 2.355 123.489 121.223 -0.149 0.000 2.401 131 L HA 0.648 4.989 4.340 0.000 0.000 0.266 131 L C -0.883 175.893 176.870 -0.156 0.000 0.991 131 L CA -0.662 54.003 54.840 -0.291 0.000 0.818 131 L CB 2.117 43.643 42.059 -0.889 0.000 1.321 131 L HN 0.335 nan 8.230 nan 0.000 0.413 132 K N 2.502 122.902 120.400 -0.001 0.000 2.482 132 K HA 0.346 4.666 4.320 0.000 0.000 0.251 132 K C -1.446 175.185 176.600 0.050 0.000 0.936 132 K CA -0.518 55.829 56.287 0.099 0.000 0.791 132 K CB 2.441 35.035 32.500 0.157 0.000 1.213 132 K HN 0.667 nan 8.250 nan 0.000 0.428 133 N N 2.831 121.634 118.700 0.172 0.000 2.438 133 N HA 0.151 4.891 4.740 0.000 0.000 0.282 133 N C -0.001 175.591 175.510 0.136 0.000 1.037 133 N CA -0.103 53.036 53.050 0.148 0.000 0.942 133 N CB 1.506 40.148 38.487 0.258 0.000 1.136 133 N HN 0.277 nan 8.380 nan 0.000 0.481 134 V N 3.877 123.862 119.914 0.119 0.000 2.939 134 V HA 0.236 4.356 4.120 0.000 0.000 0.228 134 V C 0.747 176.959 176.094 0.197 0.000 1.162 134 V CA 0.619 63.005 62.300 0.144 0.000 1.222 134 V CB 0.060 31.942 31.823 0.098 0.000 1.053 134 V HN 0.709 nan 8.190 nan 0.000 0.504 135 N N 0.186 119.022 118.700 0.225 0.000 3.039 135 N HA 0.203 4.943 4.740 0.000 0.000 0.188 135 N C 0.378 176.046 175.510 0.263 0.000 1.310 135 N CA 0.369 53.553 53.050 0.224 0.000 1.111 135 N CB -0.172 38.433 38.487 0.197 0.000 1.311 135 N HN 0.343 nan 8.380 nan 0.000 0.490 136 N N 1.294 120.128 118.700 0.224 0.000 2.320 136 N HA 0.089 4.829 4.740 0.000 0.000 0.237 136 N C -0.549 175.009 175.510 0.080 0.000 1.129 136 N CA 0.183 53.364 53.050 0.218 0.000 0.854 136 N CB 0.859 39.463 38.487 0.194 0.000 1.083 136 N HN 0.402 nan 8.380 nan 0.000 0.504 137 T N -2.441 112.164 114.554 0.085 0.000 2.912 137 T HA 0.531 4.881 4.350 0.000 0.000 0.299 137 T C -0.583 174.129 174.700 0.020 0.000 1.052 137 T CA -0.718 61.424 62.100 0.070 0.000 0.996 137 T CB 1.927 70.905 68.868 0.184 0.000 1.070 137 T HN -0.095 nan 8.240 nan 0.000 0.465 138 L N 3.065 124.265 121.223 -0.038 0.000 2.280 138 L HA 0.588 4.928 4.340 0.000 0.000 0.287 138 L C -0.633 176.162 176.870 -0.125 0.000 1.023 138 L CA -1.120 53.659 54.840 -0.102 0.000 0.819 138 L CB 1.682 43.652 42.059 -0.148 0.000 1.212 138 L HN 0.606 nan 8.230 nan 0.000 0.420 139 V N 5.865 125.686 119.914 -0.155 0.000 2.407 139 V HA 0.401 4.522 4.120 0.000 0.000 0.278 139 V C 0.128 176.020 176.094 -0.337 0.000 1.037 139 V CA -0.255 61.872 62.300 -0.288 0.000 0.900 139 V CB 1.617 33.201 31.823 -0.398 0.000 0.983 139 V HN 0.509 nan 8.190 nan 0.000 0.459 140 I N 5.523 125.831 120.570 -0.438 0.000 2.466 140 I HA 0.401 4.571 4.170 0.000 0.000 0.289 140 I C -0.886 174.977 176.117 -0.425 0.000 1.026 140 I CA -0.671 60.395 61.300 -0.390 0.000 1.078 140 I CB 2.006 39.775 38.000 -0.385 0.000 1.249 140 I HN 0.429 nan 8.210 nan 0.000 0.429 141 L N 7.633 128.702 121.223 -0.256 0.000 2.272 141 L HA 0.482 4.822 4.340 0.000 0.000 0.289 141 L C -0.082 176.642 176.870 -0.243 0.000 1.032 141 L CA 0.072 54.812 54.840 -0.167 0.000 0.810 141 L CB 0.821 42.970 42.059 0.149 0.000 1.205 141 L HN 0.508 nan 8.230 nan 0.000 0.422 142 N N 1.263 119.786 118.700 -0.295 0.000 2.424 142 N HA 0.055 4.796 4.740 0.000 0.000 0.257 142 N C 0.936 176.054 175.510 -0.654 0.000 1.250 142 N CA 0.671 53.468 53.050 -0.421 0.000 0.946 142 N CB 1.595 39.910 38.487 -0.286 0.000 1.175 142 N HN 0.782 nan 8.380 nan 0.000 0.477 143 S N 0.145 115.319 115.700 -0.876 0.000 2.555 143 S HA -0.044 4.426 4.470 0.000 0.000 0.230 143 S C 1.237 175.626 174.600 -0.351 0.000 0.978 143 S CA 0.224 57.749 58.200 -1.125 0.000 0.934 143 S CB 0.055 62.784 63.200 -0.785 0.000 0.766 143 S HN 0.336 nan 8.310 nan 0.000 0.533 144 V N 1.662 121.436 119.914 -0.233 0.000 3.319 144 V HA 0.323 4.443 4.120 0.000 0.000 0.317 144 V C -0.311 175.755 176.094 -0.047 0.000 1.411 144 V CA -0.205 62.043 62.300 -0.087 0.000 1.112 144 V CB -1.596 30.175 31.823 -0.087 0.000 1.031 144 V HN 0.697 nan 8.190 nan 0.000 0.448 145 N N 1.306 119.982 118.700 -0.040 0.000 2.783 145 N HA -0.143 4.597 4.740 0.000 0.000 0.247 145 N C -0.972 174.509 175.510 -0.048 0.000 1.089 145 N CA 0.767 53.820 53.050 0.006 0.000 0.690 145 N CB -0.753 37.763 38.487 0.049 0.000 0.991 145 N HN 0.410 nan 8.380 nan 0.000 0.552 146 D N 0.878 121.217 120.400 -0.102 0.000 2.381 146 D HA 0.310 4.950 4.640 0.000 0.000 0.235 146 D C -0.523 175.672 176.300 -0.174 0.000 1.068 146 D CA -0.437 53.490 54.000 -0.123 0.000 0.832 146 D CB 1.167 41.893 40.800 -0.123 0.000 1.101 146 D HN 0.098 nan 8.370 nan 0.000 0.515 147 L N 2.936 124.045 121.223 -0.190 0.000 2.278 147 L HA 0.346 4.686 4.340 0.000 0.000 0.287 147 L C -0.086 176.623 176.870 -0.269 0.000 1.072 147 L CA 0.119 54.782 54.840 -0.296 0.000 0.819 147 L CB 0.327 42.185 42.059 -0.336 0.000 1.176 147 L HN 0.339 nan 8.230 nan 0.000 0.435 148 S N 3.466 118.991 115.700 -0.292 0.000 2.634 148 S HA 0.973 5.443 4.470 0.000 0.000 0.296 148 S C -0.697 173.785 174.600 -0.198 0.000 1.104 148 S CA -0.581 57.495 58.200 -0.206 0.000 0.920 148 S CB 1.796 64.898 63.200 -0.163 0.000 1.111 148 S HN 0.876 nan 8.310 nan 0.000 0.493 149 A N 1.370 124.125 122.820 -0.109 0.000 2.343 149 A HA 0.716 5.036 4.320 0.000 0.000 0.308 149 A C -1.046 176.516 177.584 -0.037 0.000 1.092 149 A CA -0.655 51.352 52.037 -0.050 0.000 0.751 149 A CB 0.847 19.879 19.000 0.054 0.000 1.203 149 A HN 0.883 nan 8.150 nan 0.000 0.452 150 L N 2.974 124.175 121.223 -0.037 0.000 2.280 150 L HA 0.308 4.648 4.340 0.000 0.000 0.287 150 L C -0.726 176.132 176.870 -0.020 0.000 1.023 150 L CA -0.505 54.316 54.840 -0.032 0.000 0.819 150 L CB 1.248 43.285 42.059 -0.037 0.000 1.212 150 L HN 0.768 nan 8.230 nan 0.000 0.420 151 D N 4.431 124.822 120.400 -0.016 0.000 2.343 151 D HA 0.083 4.723 4.640 0.000 0.000 0.255 151 D C 1.020 177.309 176.300 -0.019 0.000 1.187 151 D CA -0.150 53.846 54.000 -0.007 0.000 0.875 151 D CB 1.561 42.357 40.800 -0.007 0.000 1.136 151 D HN 0.549 nan 8.370 nan 0.000 0.469 152 L N 3.636 124.847 121.223 -0.020 0.000 2.313 152 L HA -0.007 4.333 4.340 0.000 0.000 0.214 152 L C 2.572 179.453 176.870 0.019 0.000 1.119 152 L CA 0.405 55.226 54.840 -0.032 0.000 0.809 152 L CB -0.030 41.957 42.059 -0.121 0.000 0.933 152 L HN 0.342 nan 8.230 nan 0.000 0.449 153 R N -0.443 120.079 120.500 0.037 0.000 2.090 153 R HA -0.108 4.232 4.340 0.000 0.000 0.228 153 R C 2.175 178.481 176.300 0.010 0.000 1.110 153 R CA 1.835 57.957 56.100 0.036 0.000 0.973 153 R CB 0.007 30.331 30.300 0.039 0.000 0.869 153 R HN 0.377 nan 8.270 nan 0.000 0.440 154 T N -3.268 111.285 114.554 -0.002 0.000 3.010 154 T HA 0.220 4.571 4.350 0.000 0.000 0.257 154 T C 0.533 175.219 174.700 -0.023 0.000 1.020 154 T CA -0.104 61.989 62.100 -0.013 0.000 0.938 154 T CB 0.419 69.278 68.868 -0.014 0.000 1.049 154 T HN 0.074 nan 8.240 nan 0.000 0.522 155 K N 1.172 121.555 120.400 -0.028 0.000 3.426 155 K HA -0.169 4.151 4.320 0.000 0.000 0.315 155 K C 0.332 176.907 176.600 -0.043 0.000 1.293 155 K CA 0.940 57.202 56.287 -0.043 0.000 0.955 155 K CB -2.243 30.226 32.500 -0.051 0.000 1.238 155 K HN 0.781 nan 8.250 nan 0.000 0.441 156 S N -0.230 115.449 115.700 -0.035 0.000 2.617 156 S HA 0.512 4.982 4.470 0.000 0.000 0.269 156 S C 0.171 174.750 174.600 -0.035 0.000 1.292 156 S CA 0.040 58.219 58.200 -0.035 0.000 1.010 156 S CB 1.922 65.103 63.200 -0.032 0.000 0.944 156 S HN 0.323 nan 8.310 nan 0.000 0.536 157 T N 0.281 114.813 114.554 -0.037 0.000 2.840 157 T HA 0.481 4.831 4.350 0.000 0.000 0.287 157 T C -0.818 173.856 174.700 -0.043 0.000 0.991 157 T CA -0.833 61.244 62.100 -0.038 0.000 0.964 157 T CB 0.962 69.809 68.868 -0.035 0.000 0.954 157 T HN 0.764 nan 8.240 nan 0.000 0.438 158 K N 2.394 122.766 120.400 -0.046 0.000 2.087 158 K HA 0.455 4.775 4.320 0.000 0.000 0.255 158 K C -0.540 176.020 176.600 -0.066 0.000 0.988 158 K CA -0.789 55.467 56.287 -0.052 0.000 0.915 158 K CB 1.145 33.616 32.500 -0.049 0.000 1.043 158 K HN 0.537 nan 8.250 nan 0.000 0.457 159 Q N 2.493 122.251 119.800 -0.070 0.000 2.347 159 Q HA 0.250 4.590 4.340 0.000 0.000 0.262 159 Q C 0.148 176.090 176.000 -0.097 0.000 0.980 159 Q CA 0.069 55.820 55.803 -0.086 0.000 0.867 159 Q CB 1.422 30.116 28.738 -0.074 0.000 1.242 159 Q HN 0.644 nan 8.270 nan 0.000 0.453 160 L N 0.939 122.084 121.223 -0.130 0.000 2.189 160 L HA 0.568 4.908 4.340 0.000 0.000 0.199 160 L C 0.571 177.337 176.870 -0.174 0.000 1.074 160 L CA 0.547 55.291 54.840 -0.161 0.000 0.783 160 L CB 0.059 42.000 42.059 -0.197 0.000 0.955 160 L HN 0.602 nan 8.230 nan 0.000 0.460 161 A N -1.161 121.563 122.820 -0.161 0.000 2.568 161 A HA 0.727 5.047 4.320 0.000 0.000 0.291 161 A C -1.538 175.993 177.584 -0.089 0.000 1.159 161 A CA -0.441 51.529 52.037 -0.112 0.000 0.679 161 A CB 1.702 20.636 19.000 -0.111 0.000 1.285 161 A HN 0.084 nan 8.150 nan 0.000 0.428 162 Q N -0.138 119.630 119.800 -0.053 0.000 2.484 162 Q HA 0.519 4.859 4.340 0.000 0.000 0.285 162 Q C -0.613 175.370 176.000 -0.028 0.000 1.097 162 Q CA -0.717 55.060 55.803 -0.044 0.000 0.802 162 Q CB 1.605 30.322 28.738 -0.034 0.000 1.444 162 Q HN 0.714 nan 8.270 nan 0.000 0.429 163 N N -1.093 117.594 118.700 -0.020 0.000 2.741 163 N HA -0.149 4.591 4.740 0.000 0.000 0.250 163 N C -1.140 174.365 175.510 -0.008 0.000 1.115 163 N CA 0.675 53.720 53.050 -0.009 0.000 0.724 163 N CB -1.474 37.005 38.487 -0.013 0.000 1.090 163 N HN 0.229 nan 8.380 nan 0.000 0.558 164 V N 0.804 120.715 119.914 -0.004 0.000 2.649 164 V HA 0.303 4.423 4.120 0.000 0.000 0.292 164 V C 1.795 177.921 176.094 0.054 0.000 1.055 164 V CA 0.612 62.916 62.300 0.006 0.000 1.023 164 V CB 1.628 33.452 31.823 0.002 0.000 0.992 164 V HN 0.469 nan 8.190 nan 0.000 0.480 165 T N -0.984 113.593 114.554 0.039 0.000 2.955 165 T HA 0.234 4.584 4.350 0.000 0.000 0.251 165 T C 0.601 175.350 174.700 0.082 0.000 1.002 165 T CA 0.317 62.460 62.100 0.072 0.000 0.970 165 T CB 0.512 69.385 68.868 0.008 0.000 1.091 165 T HN 0.561 nan 8.240 nan 0.000 0.495 166 S N 0.382 116.111 115.700 0.048 0.000 2.541 166 S HA 0.713 5.183 4.470 0.000 0.000 0.271 166 S C -1.828 172.846 174.600 0.123 0.000 1.133 166 S CA -1.052 57.182 58.200 0.055 0.000 0.876 166 S CB 1.200 64.357 63.200 -0.071 0.000 1.105 166 S HN 0.509 nan 8.310 nan 0.000 0.470 167 F N 1.482 121.415 119.950 -0.029 0.000 2.629 167 F HA 0.925 5.452 4.527 0.000 0.000 0.316 167 F C -1.124 174.662 175.800 -0.024 0.000 1.081 167 F CA -0.754 57.219 58.000 -0.045 0.000 0.954 167 F CB 1.471 40.424 39.000 -0.079 0.000 1.337 167 F HN 0.480 nan 8.300 nan 0.000 0.474 168 D N 0.915 121.305 120.400 -0.017 0.000 2.753 168 D HA 0.642 5.282 4.640 0.000 0.000 0.224 168 D C -1.600 174.731 176.300 0.052 0.000 1.213 168 D CA -0.314 53.614 54.000 -0.120 0.000 0.833 168 D CB 2.703 43.469 40.800 -0.056 0.000 1.607 168 D HN 0.727 nan 8.370 nan 0.000 0.463 169 V N -0.052 119.857 119.914 -0.010 0.000 2.962 169 V HA 0.899 5.020 4.120 0.000 0.000 0.313 169 V C 0.415 176.489 176.094 -0.034 0.000 1.099 169 V CA -0.777 61.480 62.300 -0.072 0.000 0.971 169 V CB 1.163 32.835 31.823 -0.251 0.000 1.028 169 V HN 0.747 nan 8.190 nan 0.000 0.430 170 T N -1.931 112.615 114.554 -0.014 0.000 2.804 170 T HA 0.354 4.704 4.350 0.000 0.000 0.272 170 T C 0.860 175.605 174.700 0.075 0.000 0.986 170 T CA -0.177 61.948 62.100 0.043 0.000 0.999 170 T CB 1.360 70.273 68.868 0.075 0.000 1.307 170 T HN 0.615 nan 8.240 nan 0.000 0.586 171 N N 0.292 119.071 118.700 0.131 0.000 2.348 171 N HA -0.134 4.606 4.740 0.000 0.000 0.185 171 N C 1.287 176.977 175.510 0.300 0.000 1.019 171 N CA 1.741 54.912 53.050 0.202 0.000 0.880 171 N CB -0.070 38.511 38.487 0.156 0.000 0.965 171 N HN 0.737 nan 8.380 nan 0.000 0.437 172 S N -2.115 113.739 115.700 0.256 0.000 2.728 172 S HA 0.210 4.680 4.470 0.000 0.000 0.257 172 S C 0.301 175.081 174.600 0.299 0.000 1.060 172 S CA -0.591 57.775 58.200 0.276 0.000 1.126 172 S CB 1.098 64.406 63.200 0.179 0.000 1.099 172 S HN 0.195 nan 8.310 nan 0.000 0.617 173 Q N 0.535 120.487 119.800 0.253 0.000 2.423 173 Q HA 0.659 5.000 4.340 0.000 0.000 0.278 173 Q C -2.408 173.689 176.000 0.162 0.000 1.097 173 Q CA -0.997 54.946 55.803 0.235 0.000 0.809 173 Q CB 1.997 30.849 28.738 0.189 0.000 1.391 173 Q HN 0.291 nan 8.270 nan 0.000 0.428 174 L N 2.347 123.699 121.223 0.215 0.000 2.404 174 L HA 0.795 5.135 4.340 0.000 0.000 0.272 174 L C -1.702 175.323 176.870 0.259 0.000 0.980 174 L CA -0.253 54.665 54.840 0.130 0.000 0.836 174 L CB 1.204 43.266 42.059 0.005 0.000 1.238 174 L HN 0.711 nan 8.230 nan 0.000 0.408 175 A N 4.602 127.544 122.820 0.203 0.000 2.325 175 A HA 0.884 5.204 4.320 0.000 0.000 0.333 175 A C -1.187 176.478 177.584 0.134 0.000 1.155 175 A CA -0.504 51.622 52.037 0.148 0.000 0.814 175 A CB 1.595 20.685 19.000 0.149 0.000 1.206 175 A HN 0.556 nan 8.150 nan 0.000 0.482 176 V N 2.671 122.624 119.914 0.064 0.000 2.686 176 V HA 0.382 4.502 4.120 0.000 0.000 0.306 176 V C -0.687 175.331 176.094 -0.127 0.000 1.065 176 V CA -0.427 61.898 62.300 0.042 0.000 0.894 176 V CB 1.777 33.670 31.823 0.117 0.000 1.004 176 V HN 0.830 nan 8.190 nan 0.000 0.424 177 L N 5.732 126.848 121.223 -0.178 0.000 2.287 177 L HA 0.609 4.950 4.340 0.000 0.000 0.287 177 L C -0.797 175.919 176.870 -0.257 0.000 1.022 177 L CA -0.406 54.188 54.840 -0.409 0.000 0.814 177 L CB 1.302 43.123 42.059 -0.398 0.000 1.217 177 L HN 0.542 nan 8.230 nan 0.000 0.420 178 L N 4.080 125.129 121.223 -0.290 0.000 2.387 178 L HA 0.366 4.707 4.340 0.000 0.000 0.266 178 L C 1.283 178.088 176.870 -0.108 0.000 1.059 178 L CA -0.705 54.044 54.840 -0.151 0.000 0.801 178 L CB 1.327 43.309 42.059 -0.128 0.000 1.223 178 L HN 0.613 nan 8.230 nan 0.000 0.456 179 K N 0.644 121.013 120.400 -0.051 0.000 2.113 179 K HA -0.193 4.128 4.320 0.000 0.000 0.208 179 K C 1.155 177.742 176.600 -0.021 0.000 1.047 179 K CA 1.843 58.118 56.287 -0.020 0.000 0.928 179 K CB -0.168 32.331 32.500 -0.002 0.000 0.716 179 K HN 0.724 nan 8.250 nan 0.000 0.446 180 D N 0.227 120.604 120.400 -0.038 0.000 2.378 180 D HA -0.123 4.517 4.640 0.000 0.000 0.227 180 D C 0.009 176.279 176.300 -0.051 0.000 1.012 180 D CA 0.324 54.301 54.000 -0.038 0.000 0.905 180 D CB -0.086 40.692 40.800 -0.036 0.000 0.895 180 D HN 0.114 nan 8.370 nan 0.000 0.532 181 R N -1.017 119.445 120.500 -0.065 0.000 3.854 181 R HA -0.135 4.206 4.340 0.000 0.000 0.352 181 R C -0.089 176.135 176.300 -0.127 0.000 1.156 181 R CA 0.849 56.920 56.100 -0.049 0.000 0.917 181 R CB -2.888 27.396 30.300 -0.027 0.000 1.471 181 R HN 0.492 nan 8.270 nan 0.000 0.521 182 S N -0.295 115.293 115.700 -0.186 0.000 2.687 182 S HA 0.764 5.234 4.470 0.000 0.000 0.283 182 S C -0.062 174.251 174.600 -0.478 0.000 1.170 182 S CA -0.718 57.379 58.200 -0.173 0.000 1.008 182 S CB 1.387 64.537 63.200 -0.083 0.000 1.026 182 S HN 0.186 nan 8.310 nan 0.000 0.541 183 F N 0.093 119.753 119.950 -0.482 0.000 2.522 183 F HA 0.587 5.114 4.527 0.000 0.000 0.324 183 F C 0.576 175.997 175.800 -0.631 0.000 1.077 183 F CA -0.656 56.930 58.000 -0.690 0.000 0.944 183 F CB 2.227 40.445 39.000 -1.302 0.000 1.175 183 F HN 0.556 nan 8.300 nan 0.000 0.468 184 Q N 0.962 120.581 119.800 -0.301 0.000 2.345 184 Q HA 0.539 4.879 4.340 0.000 0.000 0.275 184 Q C -1.467 174.289 176.000 -0.407 0.000 1.063 184 Q CA -0.928 54.661 55.803 -0.358 0.000 0.819 184 Q CB 2.792 31.377 28.738 -0.255 0.000 1.356 184 Q HN 0.614 nan 8.270 nan 0.000 0.418 185 S N 1.801 117.081 115.700 -0.701 0.000 2.538 185 S HA 0.825 5.295 4.470 0.000 0.000 0.288 185 S C -1.724 172.437 174.600 -0.732 0.000 1.108 185 S CA -0.376 57.461 58.200 -0.605 0.000 0.971 185 S CB 0.627 63.244 63.200 -0.972 0.000 1.041 185 S HN 0.438 nan 8.310 nan 0.000 0.483 186 F N 1.874 121.747 119.950 -0.130 0.000 2.576 186 F HA 0.705 5.232 4.527 0.000 0.000 0.313 186 F C 0.513 176.347 175.800 0.056 0.000 1.078 186 F CA -1.064 56.921 58.000 -0.026 0.000 0.921 186 F CB 1.772 40.810 39.000 0.064 0.000 1.232 186 F HN 0.698 nan 8.300 nan 0.000 0.459 187 A N 2.895 125.862 122.820 0.245 0.000 2.488 187 A HA 0.225 4.546 4.320 0.000 0.000 0.249 187 A C -1.138 176.627 177.584 0.301 0.000 1.083 187 A CA -0.238 51.936 52.037 0.228 0.000 0.768 187 A CB 0.245 19.334 19.000 0.148 0.000 1.017 187 A HN 0.831 nan 8.150 nan 0.000 0.496 188 W N 4.245 125.599 121.300 0.090 0.000 2.600 188 W HA 0.580 5.240 4.660 0.000 0.000 0.325 188 W C -1.011 175.536 176.519 0.047 0.000 1.034 188 W CA -0.617 56.764 57.345 0.059 0.000 1.226 188 W CB 1.306 30.803 29.460 0.061 0.000 1.379 188 W HN 0.594 nan 8.180 nan 0.000 0.466 189 R N 5.470 125.592 120.500 -0.629 0.000 2.625 189 R HA 0.024 4.364 4.340 0.000 0.000 0.286 189 R C -0.212 175.734 176.300 -0.589 0.000 1.406 189 R CA -0.521 55.325 56.100 -0.424 0.000 1.052 189 R CB 0.629 30.814 30.300 -0.192 0.000 1.203 189 R HN 0.803 nan 8.270 nan 0.000 0.502 190 N N 1.461 119.871 118.700 -0.485 0.000 2.688 190 N HA -0.256 4.484 4.740 0.000 0.000 0.258 190 N C 0.683 175.940 175.510 -0.422 0.000 1.016 190 N CA 1.831 54.718 53.050 -0.272 0.000 0.747 190 N CB -0.836 37.578 38.487 -0.121 0.000 0.895 190 N HN 1.040 nan 8.380 nan 0.000 0.543 191 G N -1.400 106.913 108.800 -0.811 0.000 2.217 191 G HA2 -0.322 3.638 3.960 0.000 0.000 0.246 191 G HA3 -0.322 3.638 3.960 0.000 0.000 0.246 191 G C 0.132 174.545 174.900 -0.812 0.000 0.990 191 G CA 0.577 45.281 45.100 -0.659 0.000 0.627 191 G HN 0.707 nan 8.290 nan 0.000 0.522 195 K N 2.332 122.844 120.400 0.186 0.000 2.504 195 K HA -0.103 4.217 4.320 0.000 0.000 0.278 195 K C 0.679 177.204 176.600 -0.124 0.000 1.025 195 K CA 0.899 57.096 56.287 -0.150 0.000 1.093 195 K CB 0.742 33.156 32.500 -0.143 0.000 0.873 195 K HN 0.574 nan 8.250 nan 0.000 0.483 196 Q N 2.316 121.956 119.800 -0.268 0.000 2.252 196 Q HA 0.075 4.415 4.340 0.000 0.000 0.195 196 Q C -0.084 175.911 176.000 -0.009 0.000 0.974 196 Q CA 0.874 56.597 55.803 -0.133 0.000 0.846 196 Q CB 0.346 28.919 28.738 -0.274 0.000 0.943 196 Q HN 0.589 nan 8.270 nan 0.000 0.516 197 F N -1.976 117.919 119.950 -0.092 0.000 2.869 197 F HA 0.698 5.225 4.527 0.000 0.000 0.325 197 F C -1.190 174.542 175.800 -0.113 0.000 1.184 197 F CA -1.200 56.755 58.000 -0.075 0.000 0.951 197 F CB 1.536 40.463 39.000 -0.121 0.000 1.421 197 F HN -0.207 nan 8.300 nan 0.000 0.501 198 E N 0.262 120.645 120.200 0.304 0.000 2.363 198 E HA 0.600 4.950 4.350 0.000 0.000 0.281 198 E C -2.063 174.756 176.600 0.365 0.000 0.953 198 E CA -0.719 55.765 56.400 0.140 0.000 0.778 198 E CB 2.823 32.541 29.700 0.029 0.000 1.220 198 E HN 0.699 nan 8.360 nan 0.000 0.431 199 F N -0.249 119.785 119.950 0.139 0.000 2.719 199 F HA 0.692 5.219 4.527 0.000 0.000 0.309 199 F C -0.824 175.110 175.800 0.223 0.000 1.138 199 F CA -0.884 57.218 58.000 0.171 0.000 0.943 199 F CB 1.355 40.468 39.000 0.189 0.000 1.304 199 F HN 0.246 nan 8.300 nan 0.000 0.445 200 S N 0.744 116.649 115.700 0.342 0.000 2.758 200 S HA 0.705 5.175 4.470 0.000 0.000 0.292 200 S C -0.858 173.889 174.600 0.245 0.000 1.131 200 S CA -0.588 57.739 58.200 0.212 0.000 0.997 200 S CB 1.258 64.513 63.200 0.092 0.000 1.111 200 S HN 0.621 nan 8.310 nan 0.000 0.552 201 L N 2.773 124.024 121.223 0.046 0.000 2.439 201 L HA 0.345 4.685 4.340 0.000 0.000 0.269 201 L C -2.160 174.500 176.870 -0.349 0.000 1.179 201 L CA -1.269 53.421 54.840 -0.250 0.000 0.828 201 L CB -0.169 41.721 42.059 -0.282 0.000 1.106 201 L HN 0.403 nan 8.230 nan 0.000 0.467 202 P HA 0.064 nan 4.420 nan 0.000 0.269 202 P C 0.515 177.648 177.300 -0.278 0.000 1.209 202 P CA -0.000 62.858 63.100 -0.403 0.000 0.776 202 P CB 0.683 32.087 31.700 -0.493 0.000 0.876 203 S N 1.544 117.141 115.700 -0.171 0.000 2.372 203 S HA -0.254 4.216 4.470 0.000 0.000 0.227 203 S C 1.325 175.845 174.600 -0.133 0.000 1.044 203 S CA 1.906 60.031 58.200 -0.125 0.000 1.050 203 S CB -0.649 62.502 63.200 -0.082 0.000 0.901 203 S HN 0.518 nan 8.310 nan 0.000 0.447 204 E N 0.496 120.615 120.200 -0.134 0.000 2.409 204 E HA 0.065 4.415 4.350 0.000 0.000 0.198 204 E C 1.701 178.209 176.600 -0.154 0.000 1.024 204 E CA 0.520 56.852 56.400 -0.113 0.000 0.861 204 E CB -0.038 29.616 29.700 -0.077 0.000 0.788 204 E HN 0.489 nan 8.360 nan 0.000 0.521 205 L N -0.354 120.722 121.223 -0.245 0.000 2.408 205 L HA 0.093 4.433 4.340 0.000 0.000 0.215 205 L C 1.984 178.675 176.870 -0.299 0.000 1.081 205 L CA 0.374 55.015 54.840 -0.332 0.000 0.840 205 L CB 0.055 41.784 42.059 -0.550 0.000 1.002 205 L HN 0.049 nan 8.230 nan 0.000 0.468 206 E N 1.032 121.090 120.200 -0.237 0.000 2.204 206 E HA -0.255 4.095 4.350 0.000 0.000 0.194 206 E C 1.853 178.382 176.600 -0.118 0.000 0.989 206 E CA 0.879 57.175 56.400 -0.173 0.000 0.824 206 E CB 0.142 29.762 29.700 -0.133 0.000 0.756 206 E HN 0.352 nan 8.360 nan 0.000 0.477 207 E N -0.214 119.921 120.200 -0.108 0.000 2.097 207 E HA -0.161 4.189 4.350 0.000 0.000 0.196 207 E C -0.113 176.459 176.600 -0.045 0.000 1.000 207 E CA 0.740 57.100 56.400 -0.067 0.000 0.804 207 E CB -0.126 29.538 29.700 -0.061 0.000 0.740 207 E HN 0.237 nan 8.360 nan 0.000 0.454 208 L N 3.436 124.614 121.223 -0.075 0.000 2.500 208 L HA 0.163 4.503 4.340 0.000 0.000 0.272 208 L C -1.961 174.945 176.870 0.059 0.000 1.149 208 L CA -1.753 53.085 54.840 -0.003 0.000 0.897 208 L CB -0.163 41.804 42.059 -0.153 0.000 1.178 208 L HN 0.086 nan 8.230 nan 0.000 0.473 209 P HA -0.029 nan 4.420 nan 0.000 0.266 209 P C 1.086 178.433 177.300 0.078 0.000 1.195 209 P CA -0.197 62.942 63.100 0.065 0.000 0.768 209 P CB 1.200 32.934 31.700 0.057 0.000 0.838 210 V N 2.919 122.852 119.914 0.033 0.000 2.392 210 V HA -0.258 3.862 4.120 0.000 0.000 0.249 210 V C 2.181 178.297 176.094 0.037 0.000 1.059 210 V CA 2.122 64.443 62.300 0.035 0.000 1.051 210 V CB -1.139 30.692 31.823 0.013 0.000 0.658 210 V HN 0.553 nan 8.190 nan 0.000 0.455 211 E N -0.362 119.848 120.200 0.016 0.000 2.150 211 E HA -0.188 4.162 4.350 0.000 0.000 0.193 211 E C 2.182 178.751 176.600 -0.052 0.000 0.985 211 E CA 1.175 57.570 56.400 -0.008 0.000 0.814 211 E CB -0.112 29.583 29.700 -0.009 0.000 0.752 211 E HN 0.647 nan 8.360 nan 0.000 0.466 212 E N -0.851 119.304 120.200 -0.075 0.000 2.086 212 E HA -0.018 4.332 4.350 0.000 0.000 0.190 212 E C -0.236 176.032 176.600 -0.553 0.000 0.975 212 E CA 0.467 56.702 56.400 -0.277 0.000 0.813 212 E CB 0.323 29.896 29.700 -0.213 0.000 0.768 212 E HN 0.227 nan 8.360 nan 0.000 0.457 213 Y N 0.259 120.591 120.300 0.054 0.000 2.863 213 Y HA 0.325 4.875 4.550 0.000 0.000 0.348 213 Y C -0.222 175.767 175.900 0.148 0.000 1.028 213 Y CA -0.503 57.664 58.100 0.113 0.000 1.213 213 Y CB 1.361 39.871 38.460 0.083 0.000 1.120 213 Y HN -0.186 nan 8.280 nan 0.000 0.598 214 S N 4.151 119.971 115.700 0.200 0.000 2.603 214 S HA 0.326 4.797 4.470 0.000 0.000 0.268 214 S C -2.398 172.384 174.600 0.303 0.000 1.317 214 S CA -1.332 56.976 58.200 0.179 0.000 1.012 214 S CB 0.554 63.791 63.200 0.061 0.000 0.926 214 S HN 0.259 nan 8.310 nan 0.000 0.539 215 P HA 0.168 nan 4.420 nan 0.000 0.276 215 P C -0.178 177.065 177.300 -0.096 0.000 1.264 215 P CA 0.094 63.270 63.100 0.126 0.000 0.769 215 P CB 0.452 32.194 31.700 0.070 0.000 0.840 216 L N 1.840 122.917 121.223 -0.243 0.000 2.547 216 L HA 0.241 4.581 4.340 0.000 0.000 0.218 216 L C 1.023 177.719 176.870 -0.290 0.000 1.048 216 L CA 0.482 55.159 54.840 -0.271 0.000 0.859 216 L CB 0.205 42.111 42.059 -0.256 0.000 1.128 216 L HN 0.402 nan 8.230 nan 0.000 0.483 217 S N -0.055 115.459 115.700 -0.311 0.000 2.548 217 S HA 0.571 5.041 4.470 0.000 0.000 0.278 217 S C -1.135 173.340 174.600 -0.209 0.000 1.150 217 S CA -0.652 57.395 58.200 -0.255 0.000 0.907 217 S CB 1.513 64.545 63.200 -0.280 0.000 1.108 217 S HN -0.075 nan 8.310 nan 0.000 0.459 218 V N 2.127 121.957 119.914 -0.139 0.000 2.815 218 V HA 0.906 5.026 4.120 0.000 0.000 0.314 218 V C -0.230 175.818 176.094 -0.077 0.000 1.064 218 V CA -0.692 61.582 62.300 -0.043 0.000 0.952 218 V CB 1.697 33.543 31.823 0.039 0.000 1.020 218 V HN 0.903 nan 8.190 nan 0.000 0.439 219 T N 3.323 117.869 114.554 -0.014 0.000 2.991 219 T HA 0.548 4.899 4.350 0.000 0.000 0.303 219 T C -0.473 174.268 174.700 0.068 0.000 1.015 219 T CA -0.256 61.819 62.100 -0.042 0.000 1.007 219 T CB 1.351 70.132 68.868 -0.145 0.000 1.034 219 T HN 0.558 nan 8.240 nan 0.000 0.446 220 I N 4.058 124.682 120.570 0.090 0.000 2.436 220 I HA 0.155 4.325 4.170 0.000 0.000 0.289 220 I C 0.997 177.075 176.117 -0.065 0.000 1.083 220 I CA -0.079 61.256 61.300 0.057 0.000 1.372 220 I CB 0.723 38.782 38.000 0.098 0.000 1.408 220 I HN 0.610 nan 8.210 nan 0.000 0.516 221 L N 4.988 126.113 121.223 -0.164 0.000 2.408 221 L HA 0.145 4.485 4.340 0.000 0.000 0.215 221 L C 0.836 177.681 176.870 -0.042 0.000 1.081 221 L CA 0.313 55.079 54.840 -0.123 0.000 0.840 221 L CB -0.059 41.838 42.059 -0.270 0.000 1.002 221 L HN 0.771 nan 8.230 nan 0.000 0.468 222 S N -2.795 112.835 115.700 -0.116 0.000 2.615 222 S HA 0.387 4.857 4.470 0.000 0.000 0.269 222 S C -2.523 171.998 174.600 -0.133 0.000 1.161 222 S CA -0.952 57.210 58.200 -0.063 0.000 0.817 222 S CB 1.211 64.403 63.200 -0.012 0.000 1.131 222 S HN -0.292 nan 8.310 nan 0.000 0.467 223 P HA -0.004 nan 4.420 nan 0.000 0.223 223 P C 0.892 178.191 177.300 -0.002 0.000 1.144 223 P CA 1.238 64.350 63.100 0.019 0.000 0.783 223 P CB 0.072 31.823 31.700 0.085 0.000 0.771 224 Q N -1.601 118.133 119.800 -0.109 0.000 2.423 224 Q HA 0.043 4.383 4.340 0.000 0.000 0.231 224 Q C -0.091 175.703 176.000 -0.344 0.000 0.894 224 Q CA 0.183 55.913 55.803 -0.122 0.000 0.938 224 Q CB 0.401 29.104 28.738 -0.057 0.000 1.079 224 Q HN 0.255 nan 8.270 nan 0.000 0.552 225 D N -0.320 119.815 120.400 -0.442 0.000 2.193 225 D HA 0.383 5.023 4.640 0.000 0.000 0.249 225 D C -0.701 175.086 176.300 -0.854 0.000 1.034 225 D CA 0.013 53.737 54.000 -0.461 0.000 0.902 225 D CB 1.008 41.685 40.800 -0.204 0.000 1.182 225 D HN -0.100 nan 8.370 nan 0.000 0.436 226 F N -0.253 119.609 119.950 -0.147 0.000 2.613 226 F HA 0.412 4.940 4.527 0.000 0.000 0.314 226 F C -0.425 175.212 175.800 -0.272 0.000 1.075 226 F CA -1.179 56.722 58.000 -0.165 0.000 0.945 226 F CB 1.885 40.831 39.000 -0.091 0.000 1.310 226 F HN -0.001 nan 8.300 nan 0.000 0.467 227 L N 2.319 123.505 121.223 -0.061 0.000 2.325 227 L HA 0.885 5.225 4.340 0.000 0.000 0.281 227 L C -1.244 175.585 176.870 -0.069 0.000 1.004 227 L CA -0.410 54.335 54.840 -0.159 0.000 0.823 227 L CB 1.149 43.041 42.059 -0.280 0.000 1.236 227 L HN 0.849 nan 8.230 nan 0.000 0.415 228 A N 5.046 127.846 122.820 -0.033 0.000 2.355 228 A HA 0.821 5.141 4.320 0.000 0.000 0.324 228 A C -1.232 176.245 177.584 -0.178 0.000 1.117 228 A CA -0.482 51.522 52.037 -0.055 0.000 0.785 228 A CB 1.986 21.088 19.000 0.170 0.000 1.254 228 A HN 0.464 nan 8.150 nan 0.000 0.453 229 V N 1.265 120.929 119.914 -0.418 0.000 2.656 229 V HA 0.656 4.776 4.120 0.000 0.000 0.307 229 V C -1.265 174.468 176.094 -0.602 0.000 1.051 229 V CA -0.360 61.731 62.300 -0.348 0.000 0.893 229 V CB 1.365 33.057 31.823 -0.218 0.000 0.999 229 V HN 0.731 nan 8.190 nan 0.000 0.426 230 F N 1.650 121.701 119.950 0.168 0.000 2.551 230 F HA 0.960 5.487 4.527 0.000 0.000 0.316 230 F C 0.655 176.600 175.800 0.241 0.000 1.089 230 F CA -0.316 57.803 58.000 0.198 0.000 0.915 230 F CB 2.514 41.682 39.000 0.279 0.000 1.186 230 F HN 0.794 nan 8.300 nan 0.000 0.456 231 G N 1.084 110.061 108.800 0.295 0.000 2.430 231 G HA2 0.209 4.169 3.960 0.000 0.000 0.300 231 G HA3 0.209 4.169 3.960 0.000 0.000 0.300 231 G C -1.799 173.077 174.900 -0.039 0.000 1.330 231 G CA -1.268 43.889 45.100 0.095 0.000 0.813 231 G HN 0.685 nan 8.290 nan 0.000 0.487 232 N N -0.440 118.204 118.700 -0.094 0.000 2.441 232 N HA 0.226 4.966 4.740 0.000 0.000 0.251 232 N C 0.326 175.822 175.510 -0.024 0.000 1.242 232 N CA 0.079 53.075 53.050 -0.090 0.000 0.898 232 N CB 1.384 39.813 38.487 -0.097 0.000 1.100 232 N HN 0.782 nan 8.380 nan 0.000 0.443 233 V N -0.415 119.485 119.914 -0.024 0.000 2.461 233 V HA 0.345 4.465 4.120 0.000 0.000 0.275 233 V C 0.495 176.605 176.094 0.027 0.000 1.047 233 V CA -1.058 61.245 62.300 0.004 0.000 0.955 233 V CB 0.163 31.991 31.823 0.008 0.000 0.988 233 V HN 0.596 nan 8.190 nan 0.000 0.471 234 I N 4.806 125.429 120.570 0.088 0.000 2.437 234 I HA 0.569 4.739 4.170 0.000 0.000 0.298 234 I C 0.692 176.858 176.117 0.082 0.000 0.984 234 I CA 0.314 61.678 61.300 0.108 0.000 1.214 234 I CB 2.024 40.145 38.000 0.201 0.000 1.365 234 I HN 0.960 nan 8.210 nan 0.000 0.469 235 S N 4.333 119.992 115.700 -0.068 0.000 2.554 235 S HA 0.343 4.814 4.470 0.000 0.000 0.278 235 S C 0.839 175.138 174.600 -0.502 0.000 1.242 235 S CA -0.470 57.602 58.200 -0.213 0.000 1.051 235 S CB 1.222 64.342 63.200 -0.133 0.000 0.986 235 S HN 0.606 nan 8.310 nan 0.000 0.502 236 E N 1.875 121.621 120.200 -0.755 0.000 2.108 236 E HA -0.104 4.246 4.350 0.000 0.000 0.203 236 E C 0.224 176.585 176.600 -0.398 0.000 1.022 236 E CA 1.847 57.718 56.400 -0.880 0.000 0.823 236 E CB -0.242 29.176 29.700 -0.470 0.000 0.744 236 E HN 0.744 nan 8.360 nan 0.000 0.456 237 T N 0.998 115.413 114.554 -0.232 0.000 2.934 237 T HA 0.415 4.765 4.350 0.000 0.000 0.328 237 T C -1.278 173.365 174.700 -0.095 0.000 1.068 237 T CA -0.682 61.346 62.100 -0.120 0.000 1.018 237 T CB 0.859 69.682 68.868 -0.074 0.000 1.009 237 T HN -0.125 nan 8.240 nan 0.000 0.471 238 D N 1.458 121.812 120.400 -0.076 0.000 2.970 238 D HA 0.265 4.905 4.640 0.000 0.000 0.230 238 D C 0.485 176.763 176.300 -0.037 0.000 1.276 238 D CA -0.483 53.483 54.000 -0.057 0.000 0.910 238 D CB 2.171 42.929 40.800 -0.071 0.000 1.590 238 D HN 0.265 nan 8.370 nan 0.000 0.551 239 D N 1.361 121.745 120.400 -0.027 0.000 2.084 239 D HA -0.102 4.538 4.640 0.000 0.000 0.194 239 D C -0.246 176.044 176.300 -0.018 0.000 0.990 239 D CA 1.328 55.319 54.000 -0.014 0.000 0.826 239 D CB 0.507 41.301 40.800 -0.009 0.000 0.971 239 D HN 0.442 nan 8.370 nan 0.000 0.453 240 E N -0.709 119.472 120.200 -0.032 0.000 2.231 240 E HA 0.529 4.879 4.350 0.000 0.000 0.277 240 E C -0.855 175.697 176.600 -0.079 0.000 0.999 240 E CA -0.594 55.781 56.400 -0.041 0.000 0.827 240 E CB 2.921 32.599 29.700 -0.037 0.000 1.101 240 E HN -0.190 nan 8.360 nan 0.000 0.393 241 V N 1.606 121.458 119.914 -0.104 0.000 2.817 241 V HA 0.564 4.684 4.120 0.000 0.000 0.303 241 V C -1.515 174.420 176.094 -0.264 0.000 1.151 241 V CA -0.346 61.823 62.300 -0.219 0.000 0.929 241 V CB 2.276 33.941 31.823 -0.263 0.000 1.030 241 V HN 0.642 nan 8.190 nan 0.000 0.427 242 S N 5.033 120.519 115.700 -0.357 0.000 2.538 242 S HA 0.794 5.264 4.470 0.000 0.000 0.288 242 S C -1.759 172.585 174.600 -0.426 0.000 1.108 242 S CA -0.343 57.690 58.200 -0.279 0.000 0.971 242 S CB 1.232 64.351 63.200 -0.134 0.000 1.041 242 S HN 0.564 nan 8.310 nan 0.000 0.483 243 Y N 2.156 122.423 120.300 -0.056 0.000 2.341 243 Y HA 0.499 5.049 4.550 0.000 0.000 0.337 243 Y C 0.083 175.922 175.900 -0.102 0.000 1.014 243 Y CA -0.855 57.199 58.100 -0.077 0.000 1.111 243 Y CB 1.384 39.799 38.460 -0.075 0.000 1.194 243 Y HN 0.627 nan 8.280 nan 0.000 0.462 244 D N 2.763 123.202 120.400 0.066 0.000 2.471 244 D HA 0.363 5.003 4.640 0.000 0.000 0.245 244 D C -1.261 175.089 176.300 0.083 0.000 1.116 244 D CA -0.385 53.635 54.000 0.035 0.000 0.853 244 D CB 0.747 41.540 40.800 -0.012 0.000 1.123 244 D HN 0.583 nan 8.370 nan 0.000 0.540 245 Q N 2.191 122.060 119.800 0.115 0.000 2.389 245 Q HA 0.498 4.838 4.340 0.000 0.000 0.277 245 Q C -0.618 175.478 176.000 0.160 0.000 1.082 245 Q CA -0.927 54.965 55.803 0.148 0.000 0.810 245 Q CB 2.706 31.462 28.738 0.030 0.000 1.374 245 Q HN 0.270 nan 8.270 nan 0.000 0.422 249 I N 4.952 125.505 120.570 -0.028 0.000 2.325 249 I HA 0.334 4.504 4.170 0.000 0.000 0.291 249 I C -0.187 175.833 176.117 -0.163 0.000 1.019 249 I CA -0.366 60.833 61.300 -0.168 0.000 1.302 249 I CB 0.777 38.654 38.000 -0.206 0.000 1.401 249 I HN 0.500 nan 8.210 nan 0.000 0.485 250 I N 7.249 127.665 120.570 -0.257 0.000 2.330 250 I HA 0.238 4.408 4.170 0.000 0.000 0.289 250 I C 0.186 176.194 176.117 -0.181 0.000 1.001 250 I CA -0.447 60.624 61.300 -0.381 0.000 1.193 250 I CB 0.742 38.364 38.000 -0.630 0.000 1.345 250 I HN 0.355 nan 8.210 nan 0.000 0.461 251 K N 5.209 125.513 120.400 -0.160 0.000 2.240 251 K HA 0.313 4.633 4.320 0.000 0.000 0.271 251 K C -0.509 176.002 176.600 -0.148 0.000 1.018 251 K CA -0.656 55.562 56.287 -0.115 0.000 0.874 251 K CB 1.470 33.932 32.500 -0.063 0.000 1.098 251 K HN 0.562 nan 8.250 nan 0.000 0.458 252 H N 4.987 123.897 119.070 -0.267 0.000 2.685 252 H HA 0.257 4.813 4.556 0.000 0.000 0.286 252 H C -1.061 174.074 175.328 -0.323 0.000 1.102 252 H CA -0.708 55.104 56.048 -0.394 0.000 1.254 252 H CB 0.189 29.594 29.762 -0.596 0.000 1.397 252 H HN 0.486 nan 8.280 nan 0.000 0.473 253 I N 4.938 125.161 120.570 -0.577 0.000 2.330 253 I HA 0.033 4.203 4.170 0.000 0.000 0.289 253 I C 0.212 175.998 176.117 -0.551 0.000 1.001 253 I CA -0.386 60.640 61.300 -0.458 0.000 1.193 253 I CB 1.122 38.977 38.000 -0.240 0.000 1.345 253 I HN 0.667 nan 8.210 nan 0.000 0.461 254 D N 5.964 126.054 120.400 -0.516 0.000 2.927 254 D HA -0.164 4.476 4.640 0.000 0.000 0.236 254 D C 1.120 177.248 176.300 -0.287 0.000 1.163 254 D CA 1.554 55.365 54.000 -0.315 0.000 0.801 254 D CB -0.626 40.070 40.800 -0.174 0.000 0.975 254 D HN 1.140 nan 8.370 nan 0.000 0.413 255 G N 0.575 109.180 108.800 -0.325 0.000 2.168 255 G HA2 -0.174 3.786 3.960 0.000 0.000 0.257 255 G HA3 -0.174 3.786 3.960 0.000 0.000 0.257 255 G C 0.135 175.019 174.900 -0.026 0.000 0.997 255 G CA 0.833 45.926 45.100 -0.012 0.000 0.708 255 G HN 1.645 nan 8.290 nan 0.000 0.520 256 S N -1.502 114.050 115.700 -0.247 0.000 2.720 256 S HA 0.814 5.284 4.470 0.000 0.000 0.278 256 S C -0.258 174.215 174.600 -0.211 0.000 1.172 256 S CA 0.321 58.436 58.200 -0.141 0.000 1.019 256 S CB 1.869 65.003 63.200 -0.111 0.000 1.049 256 S HN 1.878 nan 8.310 nan 0.000 0.483 257 A N 2.985 125.699 122.820 -0.176 0.000 2.363 257 A HA 0.755 5.075 4.320 0.000 0.000 0.270 257 A C 0.399 177.927 177.584 -0.093 0.000 1.121 257 A CA -0.609 51.226 52.037 -0.337 0.000 0.800 257 A CB 0.281 18.655 19.000 -1.043 0.000 1.052 257 A HN 1.291 nan 8.150 nan 0.000 0.493 258 S N 1.310 116.959 115.700 -0.085 0.000 2.472 258 S HA 0.742 5.212 4.470 0.000 0.000 0.303 258 S C -0.681 173.984 174.600 0.109 0.000 1.099 258 S CA -0.448 57.795 58.200 0.072 0.000 1.077 258 S CB 0.747 63.956 63.200 0.015 0.000 1.031 258 S HN 0.447 nan 8.310 nan 0.000 0.487 259 F N 1.109 121.042 119.950 -0.027 0.000 2.425 259 F HA 0.547 5.074 4.527 0.000 0.000 0.331 259 F C 0.719 176.595 175.800 0.127 0.000 1.085 259 F CA -0.700 57.328 58.000 0.047 0.000 1.028 259 F CB 1.567 40.556 39.000 -0.018 0.000 1.177 259 F HN 0.442 nan 8.300 nan 0.000 0.487 260 Q N 1.825 121.835 119.800 0.350 0.000 2.284 260 Q HA 0.199 4.539 4.340 0.000 0.000 0.269 260 Q C -1.255 174.830 176.000 0.141 0.000 1.026 260 Q CA -0.908 55.037 55.803 0.237 0.000 0.831 260 Q CB 2.967 31.784 28.738 0.131 0.000 1.322 260 Q HN 0.547 nan 8.270 nan 0.000 0.419 261 E N 1.578 121.768 120.200 -0.016 0.000 2.354 261 E HA 0.247 4.597 4.350 0.000 0.000 0.269 261 E C -0.650 175.760 176.600 -0.316 0.000 1.036 261 E CA 0.283 56.421 56.400 -0.435 0.000 0.876 261 E CB 1.101 30.510 29.700 -0.485 0.000 1.009 261 E HN 0.492 nan 8.360 nan 0.000 0.416 262 T N 0.693 114.974 114.554 -0.454 0.000 2.887 262 T HA 0.410 4.760 4.350 0.000 0.000 0.288 262 T C 0.103 174.484 174.700 -0.530 0.000 1.021 262 T CA -0.663 61.263 62.100 -0.290 0.000 1.000 262 T CB 0.576 69.374 68.868 -0.117 0.000 1.034 262 T HN 0.294 nan 8.240 nan 0.000 0.467 263 F N -0.131 119.802 119.950 -0.029 0.000 2.661 263 F HA 0.302 4.829 4.527 0.000 0.000 0.306 263 F C 1.111 176.927 175.800 0.026 0.000 1.094 263 F CA -0.555 57.441 58.000 -0.007 0.000 1.254 263 F CB 0.536 39.541 39.000 0.009 0.000 1.040 263 F HN 0.455 nan 8.300 nan 0.000 0.562 264 D N 0.209 120.693 120.400 0.139 0.000 2.433 264 D HA 0.268 4.908 4.640 0.000 0.000 0.211 264 D C 0.380 176.729 176.300 0.082 0.000 1.114 264 D CA 0.434 54.508 54.000 0.122 0.000 0.837 264 D CB 1.005 41.876 40.800 0.118 0.000 0.984 264 D HN 0.183 nan 8.370 nan 0.000 0.505 265 I N 1.351 121.945 120.570 0.039 0.000 2.307 265 I HA 0.053 4.223 4.170 0.000 0.000 0.289 265 I C 0.048 176.169 176.117 0.007 0.000 1.021 265 I CA -0.050 61.261 61.300 0.018 0.000 1.224 265 I CB 0.909 38.892 38.000 -0.029 0.000 1.376 265 I HN -0.185 nan 8.210 nan 0.000 0.470 266 T N 5.447 120.018 114.554 0.029 0.000 3.704 266 T HA -0.085 4.265 4.350 0.000 0.000 0.388 266 T C -2.262 172.460 174.700 0.037 0.000 0.763 266 T CA -0.534 61.580 62.100 0.023 0.000 2.005 266 T CB -1.648 67.207 68.868 -0.022 0.000 1.752 266 T HN 0.410 nan 8.240 nan 0.000 0.747 267 P HA 0.172 nan 4.420 nan 0.000 0.262 267 P C -2.349 174.991 177.300 0.066 0.000 1.182 267 P CA -1.067 62.106 63.100 0.122 0.000 0.761 267 P CB 0.050 31.973 31.700 0.372 0.000 0.795 268 P HA 0.205 nan 4.420 nan 0.000 0.225 268 P C -0.348 176.860 177.300 -0.153 0.000 1.830 268 P CA -0.288 62.743 63.100 -0.115 0.000 1.051 268 P CB -0.616 31.017 31.700 -0.111 0.000 1.929 269 F N 0.516 120.527 119.950 0.102 0.000 2.692 269 F HA 0.255 4.782 4.527 0.000 0.000 0.303 269 F C 1.905 177.792 175.800 0.144 0.000 1.114 269 F CA -0.147 57.922 58.000 0.114 0.000 1.361 269 F CB -0.126 38.916 39.000 0.070 0.000 1.063 269 F HN 0.153 nan 8.300 nan 0.000 0.550 270 G N 0.236 109.218 108.800 0.303 0.000 2.484 270 G HA2 0.140 4.100 3.960 0.000 0.000 0.235 270 G HA3 0.140 4.100 3.960 0.000 0.000 0.235 270 G C 0.394 175.489 174.900 0.324 0.000 1.282 270 G CA -0.228 45.049 45.100 0.296 0.000 0.857 270 G HN 0.473 nan 8.290 nan 0.000 0.571 271 Q N -0.037 119.896 119.800 0.222 0.000 2.139 271 Q HA 0.209 4.549 4.340 0.000 0.000 0.219 271 Q C -0.077 176.000 176.000 0.129 0.000 0.805 271 Q CA -0.400 55.488 55.803 0.141 0.000 1.024 271 Q CB 1.034 29.831 28.738 0.099 0.000 1.163 271 Q HN 0.354 nan 8.270 nan 0.000 0.485 272 I N 0.964 121.644 120.570 0.183 0.000 2.460 272 I HA 0.217 4.387 4.170 0.000 0.000 0.298 272 I C 0.367 176.622 176.117 0.230 0.000 0.989 272 I CA -1.481 59.915 61.300 0.161 0.000 1.173 272 I CB 1.444 39.526 38.000 0.137 0.000 1.338 272 I HN -0.216 nan 8.210 nan 0.000 0.456 273 V N 7.205 127.227 119.914 0.180 0.000 2.450 273 V HA 0.148 4.268 4.120 0.000 0.000 0.281 273 V C 0.495 176.768 176.094 0.298 0.000 1.019 273 V CA -0.039 62.405 62.300 0.241 0.000 1.062 273 V CB -0.588 31.327 31.823 0.153 0.000 0.979 273 V HN 0.581 nan 8.190 nan 0.000 0.477 274 R N 3.506 124.234 120.500 0.379 0.000 2.673 274 R HA 0.393 4.733 4.340 0.000 0.000 0.281 274 R C -0.872 175.536 176.300 0.179 0.000 0.991 274 R CA -0.898 55.344 56.100 0.237 0.000 0.896 274 R CB 2.038 32.403 30.300 0.107 0.000 1.201 274 R HN 0.564 nan 8.270 nan 0.000 0.457 275 F N 3.979 123.794 119.950 -0.225 0.000 2.495 275 F HA 0.255 4.782 4.527 0.000 0.000 0.365 275 F C -1.685 173.943 175.800 -0.287 0.000 1.090 275 F CA -1.585 56.087 58.000 -0.548 0.000 1.235 275 F CB 0.743 39.206 39.000 -0.896 0.000 1.119 275 F HN 0.244 nan 8.300 nan 0.000 0.562 276 P HA 0.040 nan 4.420 nan 0.000 0.262 276 P C -1.582 175.543 177.300 -0.291 0.000 1.199 276 P CA 0.824 63.615 63.100 -0.516 0.000 0.763 276 P CB 0.140 31.480 31.700 -0.601 0.000 0.790 280 K N 2.827 123.257 120.400 0.050 0.000 2.471 280 K HA 0.847 5.167 4.320 0.000 0.000 0.252 280 K C -2.130 174.526 176.600 0.094 0.000 0.938 280 K CA -0.706 55.606 56.287 0.041 0.000 0.796 280 K CB 2.139 34.621 32.500 -0.030 0.000 1.161 280 K HN 0.510 nan 8.250 nan 0.000 0.425 281 V N 2.896 122.871 119.914 0.102 0.000 2.540 281 V HA 0.395 4.516 4.120 0.000 0.000 0.302 281 V C -0.725 175.429 176.094 0.099 0.000 1.035 281 V CA -0.550 61.816 62.300 0.110 0.000 0.873 281 V CB 2.230 34.131 31.823 0.129 0.000 0.992 281 V HN 0.849 nan 8.190 nan 0.000 0.428 282 T N 6.798 121.406 114.554 0.091 0.000 2.779 282 T HA 0.592 4.942 4.350 0.000 0.000 0.280 282 T C -0.328 174.422 174.700 0.085 0.000 0.987 282 T CA -0.252 61.900 62.100 0.086 0.000 0.966 282 T CB 0.715 69.630 68.868 0.077 0.000 0.933 282 T HN 0.406 nan 8.240 nan 0.000 0.442 283 L N 2.905 124.179 121.223 0.085 0.000 2.435 283 L HA 0.376 4.716 4.340 0.000 0.000 0.253 283 L C 0.403 177.319 176.870 0.076 0.000 1.087 283 L CA -0.713 54.176 54.840 0.081 0.000 0.950 283 L CB 0.512 42.625 42.059 0.089 0.000 1.304 283 L HN 0.530 nan 8.230 nan 0.000 0.453 284 S N 1.466 117.207 115.700 0.068 0.000 2.533 284 S HA 0.345 4.815 4.470 0.000 0.000 0.282 284 S C 1.201 175.834 174.600 0.056 0.000 1.304 284 S CA 0.603 58.839 58.200 0.061 0.000 1.063 284 S CB 1.016 64.249 63.200 0.056 0.000 0.881 284 S HN 0.967 nan 8.310 nan 0.000 0.493 285 G N 1.912 110.745 108.800 0.054 0.000 2.136 285 G HA2 -0.208 3.752 3.960 0.000 0.000 0.242 285 G HA3 -0.208 3.752 3.960 0.000 0.000 0.242 285 G C 0.431 175.364 174.900 0.056 0.000 0.989 285 G CA 0.115 45.244 45.100 0.048 0.000 0.682 285 G HN 0.617 nan 8.290 nan 0.000 0.522 286 L N -0.142 121.129 121.223 0.079 0.000 2.341 286 L HA 0.404 4.744 4.340 0.000 0.000 0.214 286 L C 2.334 179.267 176.870 0.105 0.000 1.115 286 L CA 2.005 56.904 54.840 0.099 0.000 0.820 286 L CB -0.099 42.045 42.059 0.142 0.000 0.944 286 L HN 0.567 nan 8.230 nan 0.000 0.452 287 I N -2.315 118.318 120.570 0.104 0.000 3.570 287 I HA 0.227 4.397 4.170 0.000 0.000 0.270 287 I C 0.263 176.410 176.117 0.050 0.000 1.162 287 I CA -0.019 61.331 61.300 0.084 0.000 1.413 287 I CB 0.133 38.206 38.000 0.121 0.000 1.437 287 I HN 0.102 nan 8.210 nan 0.000 0.457 288 E N 0.737 120.963 120.200 0.043 0.000 2.449 288 E HA 0.311 4.661 4.350 0.000 0.000 0.278 288 E C -2.390 174.226 176.600 0.027 0.000 1.059 288 E CA -1.251 55.166 56.400 0.028 0.000 0.854 288 E CB 0.731 30.443 29.700 0.020 0.000 1.465 288 E HN -0.273 nan 8.360 nan 0.000 0.462 289 P HA -0.072 nan 4.420 nan 0.000 0.220 289 P C -0.100 177.214 177.300 0.024 0.000 1.148 289 P CA 1.207 64.320 63.100 0.022 0.000 0.803 289 P CB 0.138 31.848 31.700 0.017 0.000 0.782 290 D N -0.700 119.713 120.400 0.021 0.000 2.501 290 D HA 0.361 5.001 4.640 0.000 0.000 0.226 290 D C -0.404 175.910 176.300 0.023 0.000 1.198 290 D CA -0.242 53.771 54.000 0.022 0.000 0.830 290 D CB -0.074 40.737 40.800 0.017 0.000 1.014 290 D HN 0.008 nan 8.370 nan 0.000 0.496 291 A N 1.346 124.182 122.820 0.026 0.000 2.323 291 A HA 0.500 4.821 4.320 0.000 0.000 0.305 291 A C -0.748 176.861 177.584 0.042 0.000 1.275 291 A CA -0.941 51.111 52.037 0.025 0.000 0.804 291 A CB 0.256 19.268 19.000 0.020 0.000 1.152 291 A HN 0.138 nan 8.150 nan 0.000 0.487 292 N N 1.881 120.609 118.700 0.047 0.000 2.408 292 N HA 0.436 5.176 4.740 0.000 0.000 0.280 292 N C -0.731 174.816 175.510 0.063 0.000 1.002 292 N CA -0.608 52.480 53.050 0.064 0.000 0.907 292 N CB 1.478 40.009 38.487 0.073 0.000 1.161 292 N HN 0.112 nan 8.380 nan 0.000 0.488 293 V N 2.312 122.262 119.914 0.061 0.000 2.488 293 V HA 0.195 4.315 4.120 0.000 0.000 0.277 293 V C 0.051 176.193 176.094 0.080 0.000 1.046 293 V CA -0.546 61.773 62.300 0.032 0.000 0.986 293 V CB 0.182 32.018 31.823 0.021 0.000 0.989 293 V HN 0.640 nan 8.190 nan 0.000 0.475 294 N N 3.707 122.482 118.700 0.126 0.000 2.424 294 N HA 0.386 5.127 4.740 0.000 0.000 0.271 294 N C -0.739 174.847 175.510 0.128 0.000 0.985 294 N CA -0.379 52.755 53.050 0.139 0.000 0.921 294 N CB 2.242 40.828 38.487 0.165 0.000 1.149 294 N HN 0.376 nan 8.380 nan 0.000 0.492 295 V N 3.529 123.516 119.914 0.123 0.000 2.498 295 V HA 0.388 4.508 4.120 0.000 0.000 0.279 295 V C 0.339 176.502 176.094 0.114 0.000 1.048 295 V CA -0.425 61.965 62.300 0.150 0.000 0.967 295 V CB 0.706 32.651 31.823 0.203 0.000 0.988 295 V HN 0.421 nan 8.190 nan 0.000 0.473 296 L N 4.358 125.638 121.223 0.095 0.000 2.381 296 L HA 0.971 5.311 4.340 0.000 0.000 0.268 296 L C -0.025 176.873 176.870 0.046 0.000 0.997 296 L CA -0.362 54.509 54.840 0.052 0.000 0.818 296 L CB 2.047 44.112 42.059 0.010 0.000 1.310 296 L HN 0.772 nan 8.230 nan 0.000 0.416 297 A N 1.366 124.225 122.820 0.065 0.000 2.593 297 A HA 0.889 5.209 4.320 0.000 0.000 0.290 297 A C -1.294 176.375 177.584 0.142 0.000 1.126 297 A CA -0.536 51.543 52.037 0.071 0.000 0.695 297 A CB 2.188 21.210 19.000 0.038 0.000 1.290 297 A HN 0.490 nan 8.150 nan 0.000 0.414 298 S N -1.033 114.746 115.700 0.131 0.000 2.546 298 S HA 0.502 4.973 4.470 0.000 0.000 0.274 298 S C 1.011 175.706 174.600 0.158 0.000 1.121 298 S CA 0.317 58.581 58.200 0.106 0.000 0.887 298 S CB 1.563 64.744 63.200 -0.032 0.000 1.094 298 S HN 1.889 nan 8.310 nan 0.000 0.474 299 S N 1.639 117.456 115.700 0.196 0.000 2.469 299 S HA -0.062 4.408 4.470 0.000 0.000 0.238 299 S C 1.128 175.702 174.600 -0.043 0.000 0.998 299 S CA 0.918 59.212 58.200 0.155 0.000 0.957 299 S CB -0.688 62.608 63.200 0.159 0.000 0.764 299 S HN 0.631 nan 8.310 nan 0.000 0.514 300 C N 1.722 120.918 119.300 -0.174 0.000 2.668 300 C HA 0.715 5.175 4.460 0.000 0.000 0.301 300 C C 0.833 175.746 174.990 -0.129 0.000 1.351 300 C CA -0.451 58.353 59.018 -0.357 0.000 1.757 300 C CB -1.517 25.749 27.740 -0.789 0.000 2.179 300 C HN 0.639 nan 8.230 nan 0.000 0.586 301 S N -0.702 114.986 115.700 -0.020 0.000 2.570 301 S HA 0.410 4.881 4.470 0.000 0.000 0.270 301 S C 0.243 174.876 174.600 0.055 0.000 1.149 301 S CA -0.216 58.015 58.200 0.052 0.000 0.837 301 S CB 1.372 64.596 63.200 0.040 0.000 1.124 301 S HN 0.166 nan 8.310 nan 0.000 0.465 302 S N 1.307 117.051 115.700 0.073 0.000 2.540 302 S HA 0.309 4.779 4.470 0.000 0.000 0.218 302 S C 0.083 174.685 174.600 0.004 0.000 0.977 302 S CA -0.327 57.892 58.200 0.032 0.000 0.918 302 S CB -0.009 63.211 63.200 0.032 0.000 0.806 302 S HN 0.681 nan 8.310 nan 0.000 0.496 303 E N 1.194 121.406 120.200 0.020 0.000 2.222 303 E HA 0.524 4.875 4.350 0.000 0.000 0.272 303 E C -1.196 175.388 176.600 -0.026 0.000 0.982 303 E CA -0.605 55.792 56.400 -0.004 0.000 0.842 303 E CB 1.865 31.585 29.700 0.034 0.000 1.144 303 E HN -0.051 nan 8.360 nan 0.000 0.397 304 V N 2.366 122.236 119.914 -0.073 0.000 2.409 304 V HA 0.281 4.401 4.120 0.000 0.000 0.291 304 V C -0.352 175.733 176.094 -0.016 0.000 1.020 304 V CA -0.577 61.671 62.300 -0.086 0.000 0.848 304 V CB 1.578 33.254 31.823 -0.244 0.000 0.990 304 V HN 0.621 nan 8.190 nan 0.000 0.430 305 S N 5.229 120.956 115.700 0.045 0.000 2.690 305 S HA 0.772 5.243 4.470 0.000 0.000 0.291 305 S C -0.411 174.267 174.600 0.130 0.000 1.138 305 S CA -0.593 57.660 58.200 0.088 0.000 1.013 305 S CB 1.735 64.978 63.200 0.072 0.000 1.053 305 S HN 0.533 nan 8.310 nan 0.000 0.539 306 I N 1.493 122.123 120.570 0.099 0.000 2.465 306 I HA 0.362 4.532 4.170 0.000 0.000 0.291 306 I C -1.032 175.116 176.117 0.051 0.000 1.014 306 I CA -0.395 60.920 61.300 0.026 0.000 1.093 306 I CB 1.464 39.368 38.000 -0.160 0.000 1.267 306 I HN 0.586 nan 8.210 nan 0.000 0.431 307 W N 7.299 128.523 121.300 -0.126 0.000 2.471 307 W HA 0.242 4.902 4.660 0.000 0.000 0.318 307 W C -0.267 176.167 176.519 -0.141 0.000 1.034 307 W CA -0.575 56.700 57.345 -0.117 0.000 1.224 307 W CB 1.769 31.183 29.460 -0.076 0.000 1.335 307 W HN 0.724 nan 8.180 nan 0.000 0.452 308 D N 2.349 122.290 120.400 -0.765 0.000 2.340 308 D HA -0.015 4.626 4.640 0.000 0.000 0.217 308 D C 1.160 177.143 176.300 -0.528 0.000 1.081 308 D CA 0.778 54.455 54.000 -0.539 0.000 0.842 308 D CB 0.167 40.710 40.800 -0.429 0.000 0.934 308 D HN 0.483 nan 8.370 nan 0.000 0.511 309 S N -0.447 114.711 115.700 -0.904 0.000 1.613 309 S HA -0.266 4.204 4.470 0.000 0.000 0.248 309 S C 1.000 175.405 174.600 -0.324 0.000 0.964 309 S CA 0.969 58.996 58.200 -0.288 0.000 1.207 309 S CB -2.079 61.059 63.200 -0.103 0.000 1.440 309 S HN 0.568 nan 8.310 nan 0.000 0.529 310 K N 1.054 120.981 120.400 -0.789 0.000 2.548 310 K HA 0.452 4.772 4.320 0.000 0.000 0.209 310 K C 0.474 176.656 176.600 -0.696 0.000 1.420 310 K CA 0.170 56.168 56.287 -0.481 0.000 0.985 310 K CB 0.272 32.620 32.500 -0.253 0.000 1.249 310 K HN 0.809 nan 8.250 nan 0.000 0.557 311 Q N 0.186 119.294 119.800 -1.152 0.000 2.685 311 Q HA 0.375 4.715 4.340 0.000 0.000 0.301 311 Q C -1.411 174.195 176.000 -0.657 0.000 0.924 311 Q CA -1.128 54.248 55.803 -0.711 0.000 0.755 311 Q CB 1.634 30.204 28.738 -0.280 0.000 1.470 311 Q HN -0.092 nan 8.270 nan 0.000 0.434 312 V N 1.589 121.434 119.914 -0.116 0.000 2.649 312 V HA 0.387 4.507 4.120 0.000 0.000 0.292 312 V C -0.076 175.968 176.094 -0.084 0.000 1.055 312 V CA -0.270 62.042 62.300 0.020 0.000 1.023 312 V CB 0.927 32.839 31.823 0.148 0.000 0.992 312 V HN 0.578 nan 8.190 nan 0.000 0.480 313 I N 3.859 124.357 120.570 -0.121 0.000 2.389 313 I HA 0.389 4.559 4.170 0.000 0.000 0.288 313 I C 0.107 176.180 176.117 -0.073 0.000 0.999 313 I CA -0.195 61.016 61.300 -0.148 0.000 1.129 313 I CB 1.555 39.352 38.000 -0.338 0.000 1.288 313 I HN 0.603 nan 8.210 nan 0.000 0.444 314 E N 7.542 127.730 120.200 -0.020 0.000 2.175 314 E HA 0.370 4.720 4.350 0.000 0.000 0.278 314 E C -2.370 174.248 176.600 0.029 0.000 0.969 314 E CA -1.867 54.545 56.400 0.020 0.000 0.796 314 E CB 1.532 31.252 29.700 0.034 0.000 1.104 314 E HN 0.220 nan 8.360 nan 0.000 0.395 315 P HA -0.048 nan 4.420 nan 0.000 0.269 315 P C 0.362 177.703 177.300 0.069 0.000 1.215 315 P CA 0.085 63.224 63.100 0.065 0.000 0.780 315 P CB 0.609 32.359 31.700 0.084 0.000 0.898 316 S N -0.504 115.240 115.700 0.074 0.000 2.603 316 S HA 0.032 4.502 4.470 0.000 0.000 0.220 316 S C 0.510 175.148 174.600 0.064 0.000 0.967 316 S CA 0.372 58.609 58.200 0.061 0.000 0.920 316 S CB -0.398 62.836 63.200 0.055 0.000 0.773 316 S HN 0.500 nan 8.310 nan 0.000 0.529 317 Q N -0.446 119.403 119.800 0.081 0.000 2.416 317 Q HA 0.348 4.688 4.340 0.000 0.000 0.281 317 Q C -0.624 175.424 176.000 0.080 0.000 1.067 317 Q CA -0.661 55.187 55.803 0.075 0.000 0.809 317 Q CB 1.802 30.588 28.738 0.081 0.000 1.418 317 Q HN -0.028 nan 8.270 nan 0.000 0.411 318 D N -0.232 120.203 120.400 0.058 0.000 2.269 318 D HA -0.085 4.555 4.640 0.000 0.000 0.208 318 D C 1.247 177.580 176.300 0.056 0.000 0.963 318 D CA 1.171 55.199 54.000 0.047 0.000 0.864 318 D CB 0.410 41.223 40.800 0.022 0.000 0.936 318 D HN 0.557 nan 8.370 nan 0.000 0.505 319 S N -0.050 115.692 115.700 0.070 0.000 2.515 319 S HA -0.064 4.406 4.470 0.000 0.000 0.231 319 S C 1.519 176.207 174.600 0.148 0.000 0.987 319 S CA 0.463 58.712 58.200 0.083 0.000 0.936 319 S CB 0.084 63.332 63.200 0.079 0.000 0.766 319 S HN 0.047 nan 8.310 nan 0.000 0.528 320 E N 1.048 121.355 120.200 0.179 0.000 2.463 320 E HA 0.170 4.520 4.350 0.000 0.000 0.193 320 E C 0.041 176.831 176.600 0.317 0.000 1.041 320 E CA -0.147 56.410 56.400 0.263 0.000 0.879 320 E CB 0.357 30.205 29.700 0.248 0.000 0.997 320 E HN 0.493 nan 8.360 nan 0.000 0.478 321 R N 0.402 121.030 120.500 0.213 0.000 2.312 321 R HA 0.600 4.940 4.340 0.000 0.000 0.311 321 R C -0.414 175.880 176.300 -0.011 0.000 1.004 321 R CA -0.590 55.608 56.100 0.163 0.000 0.902 321 R CB 1.419 31.760 30.300 0.068 0.000 1.073 321 R HN -0.073 nan 8.270 nan 0.000 0.457 322 A N 2.843 125.435 122.820 -0.380 0.000 2.309 322 A HA 0.421 4.741 4.320 0.000 0.000 0.290 322 A C -0.343 177.057 177.584 -0.306 0.000 1.206 322 A CA -0.484 51.217 52.037 -0.561 0.000 0.850 322 A CB 0.905 19.097 19.000 -1.346 0.000 1.118 322 A HN 0.497 nan 8.150 nan 0.000 0.523 323 V N 4.456 124.265 119.914 -0.175 0.000 2.971 323 V HA 0.650 4.770 4.120 0.000 0.000 0.309 323 V C -0.874 175.170 176.094 -0.083 0.000 1.130 323 V CA -0.822 61.410 62.300 -0.113 0.000 0.964 323 V CB 2.096 33.864 31.823 -0.092 0.000 1.029 323 V HN 1.017 nan 8.190 nan 0.000 0.427 324 L N 5.574 126.764 121.223 -0.055 0.000 2.325 324 L HA 0.805 5.145 4.340 0.000 0.000 0.279 324 L C -2.319 174.536 176.870 -0.024 0.000 1.054 324 L CA -1.640 53.184 54.840 -0.028 0.000 0.804 324 L CB 0.958 43.006 42.059 -0.018 0.000 1.200 324 L HN 0.434 nan 8.230 nan 0.000 0.436 325 P HA 0.166 nan 4.420 nan 0.000 0.271 325 P C -0.377 176.918 177.300 -0.009 0.000 1.233 325 P CA -0.103 62.981 63.100 -0.028 0.000 0.789 325 P CB 0.836 32.530 31.700 -0.009 0.000 0.951 326 I N 0.469 121.029 120.570 -0.016 0.000 2.638 326 I HA 0.045 4.216 4.170 0.000 0.000 0.286 326 I C 1.394 177.517 176.117 0.010 0.000 1.088 326 I CA -0.106 61.194 61.300 -0.001 0.000 1.397 326 I CB 0.508 38.502 38.000 -0.010 0.000 1.414 326 I HN 0.323 nan 8.210 nan 0.000 0.566 327 S N 4.240 119.954 115.700 0.023 0.000 2.531 327 S HA 0.043 4.513 4.470 0.000 0.000 0.279 327 S C 0.961 175.574 174.600 0.022 0.000 1.305 327 S CA -0.308 57.909 58.200 0.029 0.000 1.058 327 S CB 0.732 63.957 63.200 0.042 0.000 0.899 327 S HN 0.759 nan 8.310 nan 0.000 0.493 328 E N 2.423 122.636 120.200 0.021 0.000 2.268 328 E HA -0.127 4.223 4.350 0.000 0.000 0.195 328 E C 1.620 178.232 176.600 0.019 0.000 0.995 328 E CA 0.906 57.316 56.400 0.017 0.000 0.836 328 E CB 0.107 29.817 29.700 0.017 0.000 0.763 328 E HN 0.915 nan 8.360 nan 0.000 0.491 329 E N -0.833 119.382 120.200 0.025 0.000 2.045 329 E HA -0.055 4.295 4.350 0.000 0.000 0.190 329 E C 1.424 178.039 176.600 0.026 0.000 0.968 329 E CA 1.257 57.672 56.400 0.026 0.000 0.813 329 E CB 0.319 30.037 29.700 0.031 0.000 0.780 329 E HN 0.087 nan 8.360 nan 0.000 0.455 330 T N 0.175 114.748 114.554 0.031 0.000 3.057 330 T HA -0.012 4.338 4.350 0.000 0.000 0.254 330 T C 0.169 174.886 174.700 0.028 0.000 1.094 330 T CA 0.405 62.525 62.100 0.032 0.000 1.088 330 T CB 0.138 69.031 68.868 0.042 0.000 0.934 330 T HN 0.224 nan 8.240 nan 0.000 0.497 331 D N 0.783 121.197 120.400 0.024 0.000 3.059 331 D HA -0.126 4.514 4.640 0.000 0.000 0.220 331 D C 0.033 176.348 176.300 0.024 0.000 1.169 331 D CA 0.936 54.948 54.000 0.019 0.000 0.902 331 D CB -0.296 40.513 40.800 0.014 0.000 1.116 331 D HN 0.438 nan 8.370 nan 0.000 0.417 332 K N 0.602 121.022 120.400 0.035 0.000 2.087 332 K HA 0.239 4.559 4.320 0.000 0.000 0.255 332 K C -0.108 176.520 176.600 0.046 0.000 0.988 332 K CA -0.697 55.617 56.287 0.045 0.000 0.915 332 K CB 0.813 33.347 32.500 0.056 0.000 1.043 332 K HN -0.076 nan 8.250 nan 0.000 0.457 333 D N 1.645 122.079 120.400 0.056 0.000 2.389 333 D HA 0.028 4.668 4.640 0.000 0.000 0.247 333 D C 0.083 176.422 176.300 0.065 0.000 1.128 333 D CA 0.301 54.334 54.000 0.055 0.000 0.884 333 D CB 0.894 41.738 40.800 0.072 0.000 1.194 333 D HN 0.450 nan 8.370 nan 0.000 0.441 334 T N 0.172 114.757 114.554 0.052 0.000 2.902 334 T HA 0.554 4.905 4.350 0.000 0.000 0.280 334 T C 0.032 174.762 174.700 0.050 0.000 0.992 334 T CA -0.970 61.165 62.100 0.058 0.000 1.015 334 T CB 1.085 69.985 68.868 0.052 0.000 1.044 334 T HN 0.352 nan 8.240 nan 0.000 0.520 335 N N 0.801 119.531 118.700 0.050 0.000 2.405 335 N HA 0.486 5.226 4.740 0.000 0.000 0.285 335 N C -3.219 172.288 175.510 -0.004 0.000 1.262 335 N CA -1.902 51.165 53.050 0.029 0.000 0.773 335 N CB 2.097 40.613 38.487 0.049 0.000 1.490 335 N HN 0.424 nan 8.380 nan 0.000 0.486 336 P HA 0.247 nan 4.420 nan 0.000 0.278 336 P C 0.441 177.617 177.300 -0.207 0.000 1.238 336 P CA -0.353 62.613 63.100 -0.224 0.000 0.794 336 P CB 1.028 32.435 31.700 -0.488 0.000 0.955 337 I N -1.216 119.285 120.570 -0.115 0.000 4.227 337 I HA 0.546 4.716 4.170 0.000 0.000 0.334 337 I C 0.376 176.537 176.117 0.073 0.000 1.341 337 I CA -0.184 61.146 61.300 0.050 0.000 1.123 337 I CB 0.651 38.731 38.000 0.133 0.000 1.097 337 I HN 0.325 nan 8.210 nan 0.000 0.399 338 G N 0.720 109.465 108.800 -0.092 0.000 2.703 338 G HA2 0.604 4.564 3.960 0.000 0.000 0.294 338 G HA3 0.604 4.564 3.960 0.000 0.000 0.294 338 G C -1.785 173.077 174.900 -0.064 0.000 1.451 338 G CA -0.440 44.670 45.100 0.017 0.000 0.869 338 G HN -0.067 nan 8.290 nan 0.000 0.516 339 V N -0.277 119.674 119.914 0.062 0.000 2.888 339 V HA 0.942 5.062 4.120 0.000 0.000 0.309 339 V C 0.082 176.258 176.094 0.136 0.000 1.114 339 V CA -0.092 62.256 62.300 0.081 0.000 0.940 339 V CB 1.349 33.222 31.823 0.083 0.000 1.021 339 V HN 1.886 nan 8.190 nan 0.000 0.426 340 A N 2.982 125.882 122.820 0.133 0.000 2.610 340 A HA 0.938 5.258 4.320 0.000 0.000 0.291 340 A C -1.700 175.926 177.584 0.069 0.000 1.086 340 A CA -0.605 51.489 52.037 0.095 0.000 0.677 340 A CB 2.053 21.092 19.000 0.064 0.000 1.278 340 A HN 0.873 nan 8.150 nan 0.000 0.414 341 V N 1.552 121.482 119.914 0.027 0.000 2.495 341 V HA 0.561 4.681 4.120 0.000 0.000 0.298 341 V C -1.063 174.997 176.094 -0.056 0.000 1.031 341 V CA -0.423 61.895 62.300 0.030 0.000 0.871 341 V CB 1.660 33.525 31.823 0.069 0.000 0.988 341 V HN 0.912 nan 8.190 nan 0.000 0.432 342 D N 3.345 123.713 120.400 -0.052 0.000 2.308 342 D HA 0.527 5.167 4.640 0.000 0.000 0.242 342 D C -0.136 176.184 176.300 0.032 0.000 1.059 342 D CA -0.266 53.686 54.000 -0.081 0.000 0.830 342 D CB 2.280 42.972 40.800 -0.181 0.000 1.161 342 D HN 0.180 nan 8.370 nan 0.000 0.494 343 V N 3.086 123.009 119.914 0.015 0.000 3.548 343 V HA 0.012 4.132 4.120 0.000 0.000 0.279 343 V C 1.474 177.584 176.094 0.026 0.000 1.446 343 V CA 0.833 63.151 62.300 0.031 0.000 1.023 343 V CB 1.031 32.868 31.823 0.023 0.000 0.820 343 V HN 0.664 nan 8.190 nan 0.000 0.438 344 V N -2.647 117.277 119.914 0.018 0.000 3.570 344 V HA 0.235 4.355 4.120 0.000 0.000 0.257 344 V C 1.162 177.272 176.094 0.027 0.000 1.272 344 V CA 0.744 63.053 62.300 0.015 0.000 1.079 344 V CB -0.177 31.645 31.823 -0.001 0.000 0.829 344 V HN 0.484 nan 8.190 nan 0.000 0.454 345 T N 1.323 115.903 114.554 0.044 0.000 2.802 345 T HA 0.481 4.831 4.350 0.000 0.000 0.305 345 T C 0.296 175.023 174.700 0.046 0.000 1.053 345 T CA 0.399 62.532 62.100 0.055 0.000 1.058 345 T CB 0.938 69.860 68.868 0.090 0.000 0.988 345 T HN 0.647 nan 8.240 nan 0.000 0.539 346 S N -0.073 115.650 115.700 0.038 0.000 2.648 346 S HA 0.802 5.272 4.470 0.000 0.000 0.305 346 S C 0.370 174.985 174.600 0.024 0.000 1.094 346 S CA -0.819 57.397 58.200 0.028 0.000 0.983 346 S CB 1.696 64.908 63.200 0.020 0.000 1.101 346 S HN 1.173 nan 8.310 nan 0.000 0.514 363 P HA 0.619 nan 4.420 nan 0.000 0.274 363 P C -1.145 176.238 177.300 0.139 0.000 1.231 363 P CA -0.163 62.998 63.100 0.102 0.000 0.790 363 P CB 0.735 32.493 31.700 0.096 0.000 0.951 364 L N 1.584 122.907 121.223 0.167 0.000 2.313 364 L HA 0.423 4.763 4.340 0.000 0.000 0.283 364 L C -0.528 176.518 176.870 0.293 0.000 1.013 364 L CA -1.157 53.823 54.840 0.233 0.000 0.816 364 L CB 1.913 44.148 42.059 0.292 0.000 1.236 364 L HN 0.062 nan 8.230 nan 0.000 0.419 365 V N 3.182 123.268 119.914 0.286 0.000 2.364 365 V HA 0.274 4.394 4.120 0.000 0.000 0.272 365 V C -0.599 175.688 176.094 0.323 0.000 1.036 365 V CA -0.557 61.914 62.300 0.285 0.000 0.880 365 V CB 0.747 32.715 31.823 0.240 0.000 0.991 365 V HN 0.355 nan 8.190 nan 0.000 0.460 366 Y N 5.101 125.427 120.300 0.042 0.000 2.313 366 Y HA 0.617 5.167 4.550 0.000 0.000 0.332 366 Y C 0.304 176.208 175.900 0.008 0.000 1.071 366 Y CA -1.276 56.831 58.100 0.012 0.000 1.169 366 Y CB 1.154 39.616 38.460 0.004 0.000 1.192 366 Y HN 0.447 nan 8.280 nan 0.000 0.487 367 I N 4.837 125.468 120.570 0.102 0.000 2.466 367 I HA 0.317 4.487 4.170 0.000 0.000 0.289 367 I C -0.966 175.165 176.117 0.024 0.000 1.026 367 I CA -0.706 60.613 61.300 0.031 0.000 1.078 367 I CB 2.042 40.032 38.000 -0.015 0.000 1.249 367 I HN 0.350 nan 8.210 nan 0.000 0.429 368 L N 6.490 127.723 121.223 0.016 0.000 2.296 368 L HA 0.457 4.798 4.340 0.000 0.000 0.286 368 L C 0.081 176.971 176.870 0.033 0.000 1.023 368 L CA -0.366 54.501 54.840 0.046 0.000 0.812 368 L CB 1.418 43.530 42.059 0.088 0.000 1.223 368 L HN 0.698 nan 8.230 nan 0.000 0.421 369 N N 2.126 120.864 118.700 0.064 0.000 2.354 369 N HA -0.015 4.725 4.740 0.000 0.000 0.246 369 N C 0.769 176.369 175.510 0.151 0.000 1.285 369 N CA -0.315 52.784 53.050 0.081 0.000 0.925 369 N CB 0.600 39.139 38.487 0.085 0.000 1.174 369 N HN 0.642 nan 8.380 nan 0.000 0.478 370 N N 0.702 119.496 118.700 0.157 0.000 2.609 370 N HA -0.134 4.606 4.740 0.000 0.000 0.190 370 N C -0.148 175.548 175.510 0.310 0.000 1.157 370 N CA 1.099 54.303 53.050 0.256 0.000 0.918 370 N CB 0.029 38.611 38.487 0.157 0.000 0.978 370 N HN 0.612 nan 8.380 nan 0.000 0.448 371 E N -0.627 119.686 120.200 0.188 0.000 2.548 371 E HA 0.205 4.555 4.350 0.000 0.000 0.206 371 E C 0.362 177.013 176.600 0.084 0.000 1.005 371 E CA 0.001 56.479 56.400 0.130 0.000 0.951 371 E CB 0.367 30.123 29.700 0.094 0.000 1.035 371 E HN 0.438 nan 8.360 nan 0.000 0.470 372 G N 2.028 110.885 108.800 0.096 0.000 2.162 372 G HA2 -0.306 3.655 3.960 0.000 0.000 0.260 372 G HA3 -0.306 3.655 3.960 0.000 0.000 0.260 372 G C 0.382 175.328 174.900 0.076 0.000 0.976 372 G CA 0.699 45.837 45.100 0.063 0.000 0.655 372 G HN 0.301 nan 8.290 nan 0.000 0.533 373 S N -0.612 115.133 115.700 0.076 0.000 2.565 373 S HA 0.702 5.172 4.470 0.000 0.000 0.274 373 S C 0.004 174.639 174.600 0.058 0.000 1.309 373 S CA -0.357 57.883 58.200 0.067 0.000 1.043 373 S CB 1.123 64.360 63.200 0.062 0.000 0.939 373 S HN 0.919 nan 8.310 nan 0.000 0.504 374 L N 4.422 125.669 121.223 0.040 0.000 2.362 374 L HA 0.576 4.916 4.340 0.000 0.000 0.275 374 L C -0.542 176.302 176.870 -0.043 0.000 0.998 374 L CA -0.349 54.495 54.840 0.006 0.000 0.820 374 L CB 1.721 43.778 42.059 -0.003 0.000 1.270 374 L HN 0.703 nan 8.230 nan 0.000 0.415 375 Q N 4.612 124.380 119.800 -0.054 0.000 2.337 375 Q HA 0.567 4.908 4.340 0.000 0.000 0.266 375 Q C -1.578 174.294 176.000 -0.213 0.000 1.023 375 Q CA -0.669 55.086 55.803 -0.081 0.000 0.829 375 Q CB 1.917 30.685 28.738 0.051 0.000 1.306 375 Q HN 0.677 nan 8.270 nan 0.000 0.449 376 I N 3.617 123.971 120.570 -0.360 0.000 2.378 376 I HA 0.406 4.576 4.170 0.000 0.000 0.291 376 I C -0.896 175.079 176.117 -0.237 0.000 0.992 376 I CA -0.978 60.080 61.300 -0.403 0.000 1.154 376 I CB 1.913 39.560 38.000 -0.589 0.000 1.315 376 I HN 0.346 nan 8.210 nan 0.000 0.448 377 V N 5.052 124.942 119.914 -0.040 0.000 2.482 377 V HA 0.459 4.580 4.120 0.000 0.000 0.295 377 V C 0.404 176.632 176.094 0.224 0.000 1.026 377 V CA -0.614 61.758 62.300 0.120 0.000 0.856 377 V CB 1.769 33.687 31.823 0.160 0.000 1.001 377 V HN 0.890 nan 8.190 nan 0.000 0.424 378 G N 4.102 113.030 108.800 0.213 0.000 2.333 378 G HA2 0.511 4.471 3.960 0.000 0.000 0.290 378 G HA3 0.511 4.471 3.960 0.000 0.000 0.290 378 G C -0.835 174.207 174.900 0.237 0.000 1.150 378 G CA -0.319 44.907 45.100 0.210 0.000 0.895 378 G HN 0.586 nan 8.290 nan 0.000 0.444 379 L N 4.606 125.911 121.223 0.136 0.000 2.265 379 L HA 0.680 5.020 4.340 0.000 0.000 0.288 379 L C -0.338 176.523 176.870 -0.016 0.000 1.058 379 L CA -1.118 53.641 54.840 -0.135 0.000 0.809 379 L CB 0.257 42.166 42.059 -0.249 0.000 1.179 379 L HN 0.457 nan 8.230 nan 0.000 0.429 380 F N 3.613 123.531 119.950 -0.054 0.000 2.440 380 F HA 0.583 5.110 4.527 0.000 0.000 0.328 380 F C 0.538 176.329 175.800 -0.016 0.000 1.070 380 F CA -0.726 57.268 58.000 -0.010 0.000 1.011 380 F CB 0.133 39.137 39.000 0.007 0.000 1.226 380 F HN 0.784 nan 8.300 nan 0.000 0.491 381 H N 0.000 119.168 119.070 0.163 0.000 2.539 381 H HA 0.000 4.556 4.556 0.000 0.000 0.296 381 H CA 0.000 56.009 56.048 -0.065 0.000 1.023 381 H CB 0.000 29.809 29.762 0.079 0.000 1.292 381 H HN 0.000 nan 8.280 nan 0.000 0.496