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 1m0q_1_A DATA FIRST_RESID 3 DATA SEQUENCE LNDDATFWRN ARHHLVRYGG TFEPMIIERA KGSFVYDADG RAILDFTSGQ DATA SEQUENCE MSAVLGHCHP EIVSVIGEYA GKLDHLFSEM LSRPVVDLAT RLANITPPGL DATA SEQUENCE DRALLLSTGA ESNEAAIRMA KLVTGKYEIV GFAQSWHGMT GAAASATYSA DATA SEQUENCE GRKGVGPAAV GSFAIPAPFT YRPRFERNGA YDYLAELDYA FDLIDRQSSG DATA SEQUENCE NLAAFIAEPI LSSGGIIELP DGYMAALKRK CEARGMLLIL DEAQTGVGRT DATA SEQUENCE GTMFACQRDG VTPDILTLSK TLGAGLPLAA IVTSAAIEER AHELGYLFYT DATA SEQUENCE THVSDPLPAA VGLRVLDVVQ RDGLVARANV MGDRLRRGLL DLMERFDCIG DATA SEQUENCE DVRGRGLLLG VEIVKDRRTK EPADGLGAKI TRECMNLGLS MNIVQLPGMG DATA SEQUENCE GVFRIAPPLT VSEDEIDLGL SLLGQAIERA L 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.873 176.870 0.006 0.000 1.165 3 L CA 0.000 54.843 54.840 0.005 0.000 0.813 3 L CB 0.000 42.069 42.059 0.016 0.000 0.961 4 N N 0.790 119.507 118.700 0.029 0.000 2.520 4 N HA -0.054 4.686 4.740 0.001 0.000 0.185 4 N C 0.021 175.670 175.510 0.232 0.000 1.068 4 N CA 1.079 54.176 53.050 0.078 0.000 0.911 4 N CB 0.131 38.667 38.487 0.082 0.000 0.961 4 N HN 0.574 nan 8.380 nan 0.000 0.446 5 D N 0.607 121.099 120.400 0.153 0.000 2.336 5 D HA -0.073 4.567 4.640 0.001 0.000 0.229 5 D C 0.054 176.520 176.300 0.277 0.000 1.061 5 D CA 0.081 54.195 54.000 0.190 0.000 0.875 5 D CB -0.201 40.640 40.800 0.069 0.000 0.904 5 D HN 0.121 nan 8.370 nan 0.000 0.525 6 D N 1.338 121.877 120.400 0.231 0.000 2.660 6 D HA -0.089 4.551 4.640 0.001 0.000 0.253 6 D C 1.284 177.770 176.300 0.310 0.000 1.256 6 D CA 0.025 54.129 54.000 0.173 0.000 0.914 6 D CB 0.744 41.567 40.800 0.037 0.000 1.137 6 D HN 0.071 nan 8.370 nan 0.000 0.542 7 A N 3.793 126.743 122.820 0.216 0.000 1.908 7 A HA -0.211 4.110 4.320 0.001 0.000 0.218 7 A C 2.183 179.866 177.584 0.165 0.000 1.181 7 A CA 2.066 54.224 52.037 0.201 0.000 0.627 7 A CB -0.547 18.523 19.000 0.117 0.000 0.818 7 A HN 0.644 nan 8.150 nan 0.000 0.445 8 T N -0.834 113.785 114.554 0.108 0.000 2.708 8 T HA -0.125 4.226 4.350 0.001 0.000 0.266 8 T C 1.632 176.342 174.700 0.017 0.000 1.037 8 T CA 1.440 63.565 62.100 0.042 0.000 1.146 8 T CB -0.449 68.442 68.868 0.038 0.000 0.865 8 T HN 0.459 nan 8.240 nan 0.000 0.435 9 F N 0.812 120.676 119.950 -0.142 0.000 2.046 9 F HA -0.131 4.396 4.527 0.001 0.000 0.297 9 F C 1.829 177.400 175.800 -0.383 0.000 1.123 9 F CA 1.209 59.008 58.000 -0.335 0.000 1.199 9 F CB -0.623 38.075 39.000 -0.504 0.000 0.972 9 F HN 0.178 nan 8.300 nan 0.000 0.474 10 W N 0.507 121.974 121.300 0.277 0.000 2.465 10 W HA -0.035 4.625 4.660 0.001 0.000 0.268 10 W C 2.716 179.184 176.519 -0.085 0.000 1.242 10 W CA 1.090 58.502 57.345 0.110 0.000 1.248 10 W CB -0.470 29.082 29.460 0.153 0.000 1.118 10 W HN -0.036 nan 8.180 nan 0.000 0.587 11 R N 0.720 121.243 120.500 0.039 0.000 2.062 11 R HA -0.150 4.191 4.340 0.001 0.000 0.231 11 R C 1.874 177.875 176.300 -0.497 0.000 1.136 11 R CA 1.652 57.614 56.100 -0.230 0.000 0.948 11 R CB -0.497 29.661 30.300 -0.238 0.000 0.845 11 R HN 0.083 nan 8.270 nan 0.000 0.430 12 N N 0.634 119.124 118.700 -0.351 0.000 2.166 12 N HA -0.124 4.616 4.740 0.001 0.000 0.186 12 N C 1.574 176.948 175.510 -0.227 0.000 1.019 12 N CA 1.367 54.260 53.050 -0.261 0.000 0.856 12 N CB -0.327 38.054 38.487 -0.177 0.000 0.993 12 N HN 0.302 nan 8.380 nan 0.000 0.426 13 A N 1.723 124.340 122.820 -0.338 0.000 1.883 13 A HA -0.151 4.169 4.320 0.001 0.000 0.217 13 A C 2.231 179.782 177.584 -0.054 0.000 1.186 13 A CA 1.353 53.215 52.037 -0.291 0.000 0.624 13 A CB -0.444 18.338 19.000 -0.363 0.000 0.822 13 A HN 0.284 nan 8.150 nan 0.000 0.444 14 R N -1.338 119.173 120.500 0.018 0.000 2.092 14 R HA -0.082 4.259 4.340 0.001 0.000 0.231 14 R C 2.016 178.392 176.300 0.127 0.000 1.119 14 R CA 1.484 57.653 56.100 0.115 0.000 0.970 14 R CB -0.511 29.884 30.300 0.159 0.000 0.864 14 R HN 0.775 nan 8.270 nan 0.000 0.440 15 H N -1.299 117.651 119.070 -0.200 0.000 2.470 15 H HA 0.029 4.585 4.556 0.001 0.000 0.289 15 H C 0.930 175.990 175.328 -0.447 0.000 1.033 15 H CA 0.479 56.277 56.048 -0.417 0.000 1.331 15 H CB 0.362 29.634 29.762 -0.815 0.000 1.414 15 H HN 0.281 nan 8.280 nan 0.000 0.545 16 H N -0.659 118.483 119.070 0.119 0.000 2.923 16 H HA 0.272 4.828 4.556 0.001 0.000 0.268 16 H C -0.138 175.216 175.328 0.043 0.000 1.148 16 H CA 0.011 56.094 56.048 0.058 0.000 1.146 16 H CB 1.028 30.798 29.762 0.013 0.000 1.607 16 H HN 0.121 nan 8.280 nan 0.000 0.566 17 L N 1.383 122.699 121.223 0.155 0.000 2.317 17 L HA 0.362 4.703 4.340 0.001 0.000 0.281 17 L C 0.116 177.120 176.870 0.225 0.000 1.024 17 L CA -0.923 54.020 54.840 0.172 0.000 0.810 17 L CB 2.553 44.691 42.059 0.132 0.000 1.240 17 L HN -0.220 nan 8.230 nan 0.000 0.427 18 V N 3.340 123.405 119.914 0.251 0.000 2.649 18 V HA 0.259 4.380 4.120 0.001 0.000 0.292 18 V C 0.390 176.688 176.094 0.341 0.000 1.055 18 V CA -0.428 62.019 62.300 0.245 0.000 1.023 18 V CB 1.331 33.292 31.823 0.230 0.000 0.992 18 V HN 0.678 nan 8.190 nan 0.000 0.480 19 R N 3.127 123.740 120.500 0.187 0.000 2.297 19 R HA 0.385 4.725 4.340 0.001 0.000 0.308 19 R C -0.525 175.780 176.300 0.008 0.000 1.029 19 R CA -0.264 55.812 56.100 -0.040 0.000 0.929 19 R CB 0.709 30.950 30.300 -0.099 0.000 1.046 19 R HN 0.855 nan 8.270 nan 0.000 0.461 20 Y N -0.840 119.442 120.300 -0.030 0.000 2.738 20 Y HA 0.552 5.103 4.550 0.001 0.000 0.249 20 Y C 0.177 176.070 175.900 -0.011 0.000 1.153 20 Y CA -0.630 57.474 58.100 0.008 0.000 1.165 20 Y CB 0.804 39.301 38.460 0.062 0.000 1.235 20 Y HN 0.718 nan 8.280 nan 0.000 0.559 21 G N -0.506 108.183 108.800 -0.185 0.000 2.453 21 G HA2 0.456 4.416 3.960 0.001 0.000 0.665 21 G HA3 0.456 4.416 3.960 0.001 0.000 0.665 21 G C -0.049 174.702 174.900 -0.248 0.000 1.411 21 G CA -0.335 44.704 45.100 -0.102 0.000 0.889 21 G HN 1.340 nan 8.290 nan 0.000 0.651 22 G N -0.531 108.172 108.800 -0.161 0.000 2.601 22 G HA2 0.376 4.337 3.960 0.001 0.000 0.252 22 G HA3 0.376 4.337 3.960 0.001 0.000 0.252 22 G C 0.388 175.111 174.900 -0.295 0.000 1.294 22 G CA 0.961 45.956 45.100 -0.176 0.000 0.912 22 G HN 2.550 nan 8.290 nan 0.000 0.574 23 T N -0.793 113.607 114.554 -0.257 0.000 2.912 23 T HA 0.597 4.948 4.350 0.001 0.000 0.299 23 T C -0.541 174.057 174.700 -0.169 0.000 1.052 23 T CA -0.489 61.463 62.100 -0.247 0.000 0.996 23 T CB 0.616 69.423 68.868 -0.101 0.000 1.070 23 T HN 0.754 nan 8.240 nan 0.000 0.465 24 F N 3.188 123.139 119.950 0.001 0.000 2.495 24 F HA 0.288 4.815 4.527 0.001 0.000 0.365 24 F C 1.388 177.251 175.800 0.105 0.000 1.090 24 F CA -0.584 57.466 58.000 0.082 0.000 1.235 24 F CB 0.342 39.443 39.000 0.168 0.000 1.119 24 F HN 0.521 nan 8.300 nan 0.000 0.562 25 E N 5.245 125.652 120.200 0.345 0.000 2.384 25 E HA 0.037 4.387 4.350 0.001 0.000 0.266 25 E C -1.630 175.125 176.600 0.258 0.000 1.012 25 E CA -1.410 55.126 56.400 0.228 0.000 0.901 25 E CB 0.325 30.136 29.700 0.185 0.000 0.967 25 E HN 0.319 nan 8.360 nan 0.000 0.435 26 P HA -0.068 nan 4.420 nan 0.000 0.285 26 P C -0.346 177.042 177.300 0.147 0.000 1.521 26 P CA 0.741 63.837 63.100 -0.007 0.000 0.792 26 P CB -0.158 31.488 31.700 -0.091 0.000 1.613 27 M N -1.210 118.570 119.600 0.301 0.000 2.719 27 M HA 0.496 4.976 4.480 0.001 0.000 0.291 27 M C -1.504 174.919 176.300 0.204 0.000 1.264 27 M CA -1.468 53.977 55.300 0.242 0.000 0.811 27 M CB 1.803 34.468 32.600 0.108 0.000 1.756 27 M HN -0.325 nan 8.290 nan 0.000 0.464 28 I N 2.975 123.532 120.570 -0.020 0.000 2.359 28 I HA 0.317 4.487 4.170 0.001 0.000 0.284 28 I C -0.514 175.521 176.117 -0.135 0.000 1.018 28 I CA -0.768 60.352 61.300 -0.299 0.000 1.173 28 I CB 1.330 38.908 38.000 -0.702 0.000 1.326 28 I HN 0.471 nan 8.210 nan 0.000 0.462 29 I N 6.407 126.940 120.570 -0.062 0.000 2.379 29 I HA 0.105 4.276 4.170 0.001 0.000 0.290 29 I C 1.145 177.256 176.117 -0.010 0.000 1.063 29 I CA 0.532 61.827 61.300 -0.009 0.000 1.351 29 I CB 0.589 38.597 38.000 0.014 0.000 1.410 29 I HN 0.730 nan 8.210 nan 0.000 0.505 30 E N 5.117 125.324 120.200 0.013 0.000 2.413 30 E HA 0.213 4.564 4.350 0.001 0.000 0.203 30 E C 0.362 176.982 176.600 0.034 0.000 0.957 30 E CA 0.155 56.560 56.400 0.008 0.000 0.950 30 E CB 0.972 30.664 29.700 -0.013 0.000 0.957 30 E HN 0.511 nan 8.360 nan 0.000 0.497 31 R N -0.762 119.793 120.500 0.090 0.000 2.716 31 R HA 0.669 5.010 4.340 0.001 0.000 0.271 31 R C -1.870 174.563 176.300 0.221 0.000 1.028 31 R CA -0.536 55.634 56.100 0.116 0.000 0.883 31 R CB 2.273 32.599 30.300 0.044 0.000 1.250 31 R HN -0.005 nan 8.270 nan 0.000 0.465 32 A N 1.725 124.657 122.820 0.186 0.000 2.547 32 A HA 0.706 5.027 4.320 0.001 0.000 0.297 32 A C -1.772 175.962 177.584 0.251 0.000 1.056 32 A CA -0.503 51.593 52.037 0.098 0.000 0.688 32 A CB 2.026 20.820 19.000 -0.343 0.000 1.282 32 A HN 0.432 nan 8.150 nan 0.000 0.400 33 K N 1.138 121.753 120.400 0.359 0.000 2.571 33 K HA 0.596 4.916 4.320 0.001 0.000 0.252 33 K C 0.447 177.259 176.600 0.354 0.000 0.956 33 K CA 0.956 57.447 56.287 0.340 0.000 0.822 33 K CB 1.178 33.857 32.500 0.297 0.000 1.286 33 K HN 2.512 nan 8.250 nan 0.000 0.439 34 G N 2.093 111.057 108.800 0.273 0.000 2.596 34 G HA2 -0.317 3.643 3.960 0.001 0.000 0.295 34 G HA3 -0.317 3.643 3.960 0.001 0.000 0.295 34 G C 0.350 175.375 174.900 0.208 0.000 1.240 34 G CA 0.334 45.562 45.100 0.214 0.000 0.985 34 G HN 0.767 nan 8.290 nan 0.000 0.555 35 S N 0.650 116.408 115.700 0.097 0.000 2.720 35 S HA 0.442 4.912 4.470 0.001 0.000 0.222 35 S C 0.049 174.365 174.600 -0.473 0.000 0.958 35 S CA 0.846 58.945 58.200 -0.168 0.000 0.943 35 S CB -0.304 62.713 63.200 -0.304 0.000 0.779 35 S HN 0.426 nan 8.310 nan 0.000 0.526 36 F N 0.466 120.454 119.950 0.063 0.000 2.603 36 F HA 0.647 5.174 4.527 0.000 0.000 0.317 36 F C -0.098 175.490 175.800 -0.353 0.000 1.066 36 F CA -1.352 56.535 58.000 -0.190 0.000 0.941 36 F CB 1.556 40.306 39.000 -0.418 0.000 1.291 36 F HN -0.121 nan 8.300 nan 0.000 0.472 37 V N -0.963 118.760 119.914 -0.318 0.000 3.074 37 V HA 0.700 4.820 4.120 0.001 0.000 0.314 37 V C -1.911 173.826 176.094 -0.594 0.000 1.117 37 V CA -1.141 60.946 62.300 -0.355 0.000 1.014 37 V CB 2.089 33.773 31.823 -0.232 0.000 1.057 37 V HN 0.651 nan 8.190 nan 0.000 0.438 38 Y N 1.051 121.351 120.300 -0.000 0.000 2.406 38 Y HA 0.620 5.170 4.550 0.001 0.000 0.340 38 Y C 0.052 175.941 175.900 -0.019 0.000 0.975 38 Y CA -0.784 57.314 58.100 -0.004 0.000 1.056 38 Y CB 1.581 40.030 38.460 -0.020 0.000 1.210 38 Y HN 1.000 nan 8.280 nan 0.000 0.448 39 D N 1.051 121.521 120.400 0.116 0.000 2.440 39 D HA 0.293 4.934 4.640 0.001 0.000 0.269 39 D C 1.090 177.411 176.300 0.034 0.000 1.249 39 D CA -0.184 53.847 54.000 0.052 0.000 1.055 39 D CB 0.447 41.266 40.800 0.031 0.000 1.104 39 D HN 0.513 nan 8.370 nan 0.000 0.561 40 A N -0.834 121.977 122.820 -0.015 0.000 2.119 40 A HA -0.079 4.241 4.320 0.001 0.000 0.217 40 A C 1.336 178.911 177.584 -0.015 0.000 1.153 40 A CA 1.003 53.017 52.037 -0.038 0.000 0.692 40 A CB -0.459 18.487 19.000 -0.089 0.000 0.799 40 A HN 0.486 nan 8.150 nan 0.000 0.458 41 D N -1.337 119.066 120.400 0.004 0.000 2.350 41 D HA 0.233 4.874 4.640 0.001 0.000 0.213 41 D C 1.378 177.686 176.300 0.013 0.000 1.031 41 D CA 1.134 55.137 54.000 0.004 0.000 0.861 41 D CB 0.319 41.123 40.800 0.007 0.000 0.926 41 D HN 0.552 nan 8.370 nan 0.000 0.520 42 G N 1.636 110.460 108.800 0.039 0.000 2.159 42 G HA2 -0.288 3.672 3.960 0.001 0.000 0.227 42 G HA3 -0.288 3.672 3.960 0.001 0.000 0.227 42 G C 0.428 175.407 174.900 0.132 0.000 0.986 42 G CA -0.084 45.050 45.100 0.058 0.000 0.651 42 G HN 0.385 nan 8.290 nan 0.000 0.523 43 R N 0.729 121.291 120.500 0.104 0.000 2.442 43 R HA 0.601 4.941 4.340 0.001 0.000 0.291 43 R C 0.570 176.930 176.300 0.101 0.000 1.069 43 R CA 0.340 56.489 56.100 0.082 0.000 1.022 43 R CB 0.411 30.732 30.300 0.035 0.000 0.976 43 R HN 0.628 nan 8.270 nan 0.000 0.443 44 A N 6.257 129.100 122.820 0.039 0.000 2.309 44 A HA 0.375 4.696 4.320 0.001 0.000 0.290 44 A C -0.303 177.243 177.584 -0.063 0.000 1.206 44 A CA -0.612 51.291 52.037 -0.223 0.000 0.850 44 A CB 0.241 19.031 19.000 -0.350 0.000 1.118 44 A HN 0.757 nan 8.150 nan 0.000 0.523 45 I N 2.720 123.257 120.570 -0.054 0.000 2.354 45 I HA 0.227 4.397 4.170 0.001 0.000 0.292 45 I C -0.293 175.895 176.117 0.119 0.000 0.989 45 I CA -0.734 60.594 61.300 0.047 0.000 1.188 45 I CB 1.767 39.751 38.000 -0.027 0.000 1.342 45 I HN 0.596 nan 8.210 nan 0.000 0.457 46 L N 6.311 127.557 121.223 0.039 0.000 2.369 46 L HA 0.207 4.548 4.340 0.001 0.000 0.279 46 L C 0.143 176.901 176.870 -0.187 0.000 1.108 46 L CA 0.345 54.995 54.840 -0.317 0.000 0.852 46 L CB 0.154 42.030 42.059 -0.305 0.000 1.169 46 L HN 0.466 nan 8.230 nan 0.000 0.452 47 D N 4.533 124.836 120.400 -0.161 0.000 2.508 47 D HA -0.011 4.629 4.640 0.001 0.000 0.224 47 D C 0.486 176.891 176.300 0.176 0.000 1.171 47 D CA 0.001 54.024 54.000 0.039 0.000 1.006 47 D CB -0.089 40.776 40.800 0.108 0.000 1.073 47 D HN 0.446 nan 8.370 nan 0.000 0.513 48 F N 1.049 120.944 119.950 -0.091 0.000 2.795 48 F HA 0.021 4.548 4.527 0.000 0.000 0.303 48 F C 1.930 177.703 175.800 -0.045 0.000 1.186 48 F CA 0.469 58.421 58.000 -0.080 0.000 1.415 48 F CB -0.126 38.822 39.000 -0.086 0.000 1.106 48 F HN 0.271 nan 8.300 nan 0.000 0.558 49 T N -5.628 108.983 114.554 0.095 0.000 3.209 49 T HA 0.142 4.492 4.350 0.001 0.000 0.295 49 T C 0.648 175.347 174.700 -0.001 0.000 0.977 49 T CA 0.232 62.349 62.100 0.029 0.000 0.922 49 T CB -0.394 68.506 68.868 0.053 0.000 1.152 49 T HN -0.111 nan 8.240 nan 0.000 0.527 50 S N 1.271 116.966 115.700 -0.008 0.000 3.550 50 S HA 0.038 4.508 4.470 0.001 0.000 0.372 50 S C 1.525 176.114 174.600 -0.019 0.000 0.966 50 S CA 1.183 59.352 58.200 -0.052 0.000 1.229 50 S CB -1.906 61.237 63.200 -0.094 0.000 0.917 50 S HN 1.991 nan 8.310 nan 0.000 0.496 51 G N 0.888 109.741 108.800 0.088 0.000 2.523 51 G HA2 -0.338 3.622 3.960 0.001 0.000 0.271 51 G HA3 -0.338 3.622 3.960 0.001 0.000 0.271 51 G C -0.211 174.734 174.900 0.076 0.000 1.146 51 G CA 0.570 45.753 45.100 0.139 0.000 0.961 51 G HN 0.882 nan 8.290 nan 0.000 0.549 52 Q N 0.772 120.606 119.800 0.057 0.000 3.135 52 Q HA 0.594 4.934 4.340 0.001 0.000 0.344 52 Q C 1.014 177.009 176.000 -0.009 0.000 1.321 52 Q CA 0.246 56.067 55.803 0.029 0.000 1.050 52 Q CB -0.721 28.043 28.738 0.042 0.000 1.498 52 Q HN 0.669 nan 8.270 nan 0.000 0.503 53 M N -0.421 119.167 119.600 -0.020 0.000 2.461 53 M HA -0.269 4.211 4.480 0.001 0.000 0.203 53 M C -0.112 176.164 176.300 -0.041 0.000 0.428 53 M CA 0.854 56.128 55.300 -0.043 0.000 0.509 53 M CB -2.821 29.742 32.600 -0.063 0.000 1.851 53 M HN 0.405 nan 8.290 nan 0.000 0.834 54 S N -1.284 114.392 115.700 -0.041 0.000 2.930 54 S HA 0.387 4.857 4.470 0.001 0.000 0.253 54 S C 1.006 175.564 174.600 -0.069 0.000 1.083 54 S CA 0.317 58.492 58.200 -0.042 0.000 0.836 54 S CB 0.621 63.808 63.200 -0.022 0.000 0.814 54 S HN 0.683 nan 8.310 nan 0.000 0.467 55 A N 3.054 125.808 122.820 -0.109 0.000 3.030 55 A HA 0.339 4.659 4.320 0.001 0.000 0.273 55 A C 1.493 178.995 177.584 -0.137 0.000 1.841 55 A CA -0.142 51.798 52.037 -0.162 0.000 1.479 55 A CB -1.013 17.774 19.000 -0.354 0.000 1.048 55 A HN 0.463 nan 8.150 nan 0.000 0.612 56 V N -0.043 119.811 119.914 -0.100 0.000 2.594 56 V HA -0.175 3.946 4.120 0.001 0.000 0.253 56 V C 1.524 177.572 176.094 -0.076 0.000 1.069 56 V CA 1.684 63.930 62.300 -0.090 0.000 1.082 56 V CB -0.866 30.907 31.823 -0.083 0.000 0.680 56 V HN 0.652 nan 8.190 nan 0.000 0.469 57 L N 1.137 122.316 121.223 -0.074 0.000 2.611 57 L HA 0.538 4.879 4.340 0.001 0.000 0.229 57 L C 1.300 178.206 176.870 0.059 0.000 1.137 57 L CA 0.418 55.245 54.840 -0.022 0.000 0.901 57 L CB -0.872 41.115 42.059 -0.121 0.000 1.098 57 L HN 0.676 nan 8.230 nan 0.000 0.456 58 G N -0.036 108.737 108.800 -0.044 0.000 2.782 58 G HA2 -0.215 3.745 3.960 0.001 0.000 0.228 58 G HA3 -0.215 3.745 3.960 0.001 0.000 0.228 58 G C -0.448 174.379 174.900 -0.122 0.000 1.372 58 G CA -0.754 44.301 45.100 -0.075 0.000 0.862 58 G HN 0.265 nan 8.290 nan 0.000 0.547 59 H N -0.952 118.172 119.070 0.089 0.000 2.562 59 H HA 0.318 4.874 4.556 0.000 0.000 0.352 59 H C 1.429 176.825 175.328 0.114 0.000 1.125 59 H CA 0.655 56.762 56.048 0.098 0.000 1.379 59 H CB 0.754 30.579 29.762 0.104 0.000 1.464 59 H HN 1.243 nan 8.280 nan 0.000 0.563 60 C N 2.732 122.168 119.300 0.227 0.000 4.028 60 C HA -0.193 4.268 4.460 0.001 0.000 0.300 60 C C 1.104 176.188 174.990 0.156 0.000 1.399 60 C CA 0.226 59.346 59.018 0.171 0.000 2.051 60 C CB -3.069 24.766 27.740 0.158 0.000 1.318 60 C HN 0.748 nan 8.230 nan 0.000 0.696 61 H N 1.929 121.037 119.070 0.063 0.000 3.046 61 H HA 0.100 4.656 4.556 0.000 0.000 0.303 61 H C -0.933 174.421 175.328 0.045 0.000 1.002 61 H CA -0.664 55.412 56.048 0.047 0.000 1.460 61 H CB 1.036 30.812 29.762 0.025 0.000 1.493 61 H HN 0.221 nan 8.280 nan 0.000 0.559 62 P HA -0.195 nan 4.420 nan 0.000 0.217 62 P C 1.170 178.578 177.300 0.180 0.000 1.151 62 P CA 1.284 64.418 63.100 0.057 0.000 0.849 62 P CB 0.420 32.086 31.700 -0.057 0.000 0.787 63 E N -0.951 119.495 120.200 0.410 0.000 2.107 63 E HA -0.078 4.273 4.350 0.001 0.000 0.191 63 E C 2.007 178.703 176.600 0.161 0.000 0.982 63 E CA 0.867 57.419 56.400 0.252 0.000 0.809 63 E CB -0.440 29.390 29.700 0.217 0.000 0.756 63 E HN 0.249 nan 8.360 nan 0.000 0.459 64 I N 0.857 121.535 120.570 0.179 0.000 2.353 64 I HA -0.159 4.012 4.170 0.001 0.000 0.248 64 I C 2.496 178.675 176.117 0.103 0.000 1.119 64 I CA 0.628 61.984 61.300 0.092 0.000 1.417 64 I CB -1.101 36.945 38.000 0.077 0.000 1.078 64 I HN -0.088 nan 8.210 nan 0.000 0.421 65 V N 1.487 121.475 119.914 0.124 0.000 2.287 65 V HA -0.275 3.845 4.120 0.001 0.000 0.248 65 V C 2.646 178.792 176.094 0.088 0.000 1.053 65 V CA 2.169 64.527 62.300 0.096 0.000 1.027 65 V CB -0.947 30.929 31.823 0.087 0.000 0.646 65 V HN 0.478 nan 8.190 nan 0.000 0.447 66 S N 0.051 115.806 115.700 0.092 0.000 2.351 66 S HA -0.230 4.240 4.470 0.001 0.000 0.220 66 S C 2.050 176.713 174.600 0.104 0.000 1.035 66 S CA 1.586 59.836 58.200 0.083 0.000 1.031 66 S CB -0.941 62.307 63.200 0.081 0.000 0.928 66 S HN 0.373 nan 8.310 nan 0.000 0.433 67 V N 2.459 122.448 119.914 0.124 0.000 2.332 67 V HA -0.143 3.978 4.120 0.001 0.000 0.248 67 V C 2.174 178.403 176.094 0.225 0.000 1.055 67 V CA 1.593 64.005 62.300 0.186 0.000 1.038 67 V CB -0.695 31.214 31.823 0.142 0.000 0.651 67 V HN 0.491 nan 8.190 nan 0.000 0.450 68 I N 0.757 121.413 120.570 0.143 0.000 2.151 68 I HA -0.206 3.965 4.170 0.001 0.000 0.243 68 I C 2.624 178.821 176.117 0.134 0.000 1.080 68 I CA 2.050 63.429 61.300 0.132 0.000 1.339 68 I CB -1.715 36.338 38.000 0.088 0.000 1.039 68 I HN 0.482 nan 8.210 nan 0.000 0.409 69 G N 0.097 108.957 108.800 0.099 0.000 2.459 69 G HA2 -0.297 3.663 3.960 0.001 0.000 0.217 69 G HA3 -0.297 3.663 3.960 0.001 0.000 0.217 69 G C 1.577 176.507 174.900 0.050 0.000 1.183 69 G CA 0.863 46.002 45.100 0.066 0.000 0.776 69 G HN 0.455 nan 8.290 nan 0.000 0.552 70 E N -0.572 119.655 120.200 0.045 0.000 2.070 70 E HA -0.214 4.137 4.350 0.001 0.000 0.197 70 E C 2.186 178.654 176.600 -0.220 0.000 1.004 70 E CA 1.307 57.664 56.400 -0.072 0.000 0.805 70 E CB -0.233 29.433 29.700 -0.056 0.000 0.744 70 E HN 0.623 nan 8.360 nan 0.000 0.451 71 Y N -0.365 119.951 120.300 0.027 0.000 2.395 71 Y HA 0.044 4.595 4.550 0.002 0.000 0.293 71 Y C 2.204 178.124 175.900 0.035 0.000 1.123 71 Y CA 0.683 58.801 58.100 0.030 0.000 1.227 71 Y CB -0.204 38.274 38.460 0.030 0.000 1.012 71 Y HN 0.153 nan 8.280 nan 0.000 0.552 72 A N 0.094 123.002 122.820 0.147 0.000 1.908 72 A HA -0.162 4.158 4.320 0.001 0.000 0.218 72 A C 2.487 180.105 177.584 0.057 0.000 1.181 72 A CA 1.970 54.067 52.037 0.100 0.000 0.627 72 A CB -1.358 17.687 19.000 0.075 0.000 0.818 72 A HN 0.455 nan 8.150 nan 0.000 0.445 73 G N -1.625 107.186 108.800 0.018 0.000 2.623 73 G HA2 -0.020 3.940 3.960 0.001 0.000 0.214 73 G HA3 -0.020 3.940 3.960 0.001 0.000 0.214 73 G C 1.535 176.418 174.900 -0.027 0.000 1.138 73 G CA 0.961 46.058 45.100 -0.005 0.000 0.794 73 G HN 0.486 nan 8.290 nan 0.000 0.535 74 K N -1.205 119.155 120.400 -0.067 0.000 2.306 74 K HA 0.287 4.607 4.320 0.001 0.000 0.200 74 K C -0.609 175.978 176.600 -0.022 0.000 1.083 74 K CA -0.020 56.213 56.287 -0.089 0.000 0.959 74 K CB 0.319 32.681 32.500 -0.230 0.000 0.994 74 K HN 0.178 nan 8.250 nan 0.000 0.492 75 L N 2.434 123.684 121.223 0.046 0.000 2.620 75 L HA 0.200 4.540 4.340 0.001 0.000 0.261 75 L C -0.765 176.231 176.870 0.211 0.000 0.978 75 L CA -0.152 54.774 54.840 0.144 0.000 0.897 75 L CB 1.622 43.807 42.059 0.211 0.000 1.207 75 L HN 0.165 nan 8.230 nan 0.000 0.425 76 D N 1.744 122.241 120.400 0.162 0.000 3.012 76 D HA 0.157 4.797 4.640 0.001 0.000 0.284 76 D C 0.224 176.644 176.300 0.200 0.000 1.259 76 D CA 0.654 54.762 54.000 0.181 0.000 1.036 76 D CB 0.092 40.989 40.800 0.162 0.000 1.167 76 D HN 0.515 nan 8.370 nan 0.000 0.429 77 H N -0.827 118.300 119.070 0.095 0.000 2.806 77 H HA 0.700 5.257 4.556 0.000 0.000 0.367 77 H C -1.523 173.854 175.328 0.081 0.000 1.136 77 H CA -0.835 55.269 56.048 0.093 0.000 1.178 77 H CB 1.419 31.243 29.762 0.104 0.000 1.718 77 H HN 0.058 nan 8.280 nan 0.000 0.540 78 L N 3.455 124.252 121.223 -0.710 0.000 2.415 78 L HA 0.315 4.656 4.340 0.001 0.000 0.256 78 L C -0.601 176.044 176.870 -0.376 0.000 1.010 78 L CA -1.335 53.275 54.840 -0.383 0.000 0.826 78 L CB 1.756 43.739 42.059 -0.128 0.000 1.405 78 L HN 0.557 nan 8.230 nan 0.000 0.410 79 F N 0.692 120.514 119.950 -0.214 0.000 2.635 79 F HA -0.096 4.431 4.527 0.000 0.000 0.379 79 F C 1.434 177.170 175.800 -0.106 0.000 1.094 79 F CA 0.540 58.484 58.000 -0.092 0.000 1.300 79 F CB 0.835 39.832 39.000 -0.005 0.000 1.035 79 F HN 0.463 nan 8.300 nan 0.000 0.581 80 S N 3.201 118.497 115.700 -0.672 0.000 2.595 80 S HA -0.119 4.352 4.470 0.001 0.000 0.235 80 S C 1.421 175.800 174.600 -0.369 0.000 0.974 80 S CA 1.077 58.904 58.200 -0.622 0.000 0.942 80 S CB -0.379 62.151 63.200 -1.117 0.000 0.766 80 S HN 0.741 nan 8.310 nan 0.000 0.536 81 E N 0.192 120.189 120.200 -0.338 0.000 2.474 81 E HA 0.197 4.548 4.350 0.001 0.000 0.195 81 E C -0.138 176.578 176.600 0.192 0.000 1.039 81 E CA 0.104 56.555 56.400 0.085 0.000 0.881 81 E CB 0.253 30.156 29.700 0.338 0.000 0.970 81 E HN 0.480 nan 8.360 nan 0.000 0.486 82 M N 1.781 121.485 119.600 0.172 0.000 2.113 82 M HA 0.301 4.781 4.480 0.001 0.000 0.352 82 M C -0.474 175.857 176.300 0.051 0.000 1.170 82 M CA -0.225 55.151 55.300 0.128 0.000 1.053 82 M CB 1.342 34.028 32.600 0.144 0.000 1.601 82 M HN -0.079 nan 8.290 nan 0.000 0.459 83 L N 2.110 123.362 121.223 0.049 0.000 2.416 83 L HA 0.699 5.039 4.340 0.001 0.000 0.262 83 L C 0.363 177.252 176.870 0.031 0.000 1.093 83 L CA -0.335 54.523 54.840 0.029 0.000 0.801 83 L CB 1.745 43.820 42.059 0.028 0.000 1.191 83 L HN 0.876 nan 8.230 nan 0.000 0.459 84 S N -0.275 115.440 115.700 0.025 0.000 2.643 84 S HA 0.434 4.904 4.470 0.001 0.000 0.270 84 S C 0.235 174.854 174.600 0.030 0.000 1.166 84 S CA -1.024 57.197 58.200 0.036 0.000 0.815 84 S CB 1.788 65.015 63.200 0.046 0.000 1.139 84 S HN 0.574 nan 8.310 nan 0.000 0.472 85 R N 0.321 120.849 120.500 0.046 0.000 2.075 85 R HA 0.046 4.387 4.340 0.001 0.000 0.232 85 R C -1.062 175.245 176.300 0.012 0.000 1.126 85 R CA 1.564 57.687 56.100 0.038 0.000 0.963 85 R CB -1.644 28.691 30.300 0.059 0.000 0.858 85 R HN 0.493 nan 8.270 nan 0.000 0.435 86 P HA -0.118 nan 4.420 nan 0.000 0.216 86 P C 1.452 178.715 177.300 -0.063 0.000 1.150 86 P CA 1.046 64.095 63.100 -0.086 0.000 0.837 86 P CB 0.067 31.641 31.700 -0.210 0.000 0.786 87 V N -0.561 119.330 119.914 -0.040 0.000 2.307 87 V HA -0.188 3.932 4.120 0.001 0.000 0.245 87 V C 2.413 178.495 176.094 -0.019 0.000 1.045 87 V CA 1.775 64.058 62.300 -0.030 0.000 1.024 87 V CB -1.165 30.646 31.823 -0.021 0.000 0.651 87 V HN -0.041 nan 8.190 nan 0.000 0.449 88 V N 0.120 120.029 119.914 -0.009 0.000 2.427 88 V HA -0.226 3.894 4.120 0.001 0.000 0.248 88 V C 2.258 178.348 176.094 -0.007 0.000 1.051 88 V CA 2.021 64.318 62.300 -0.005 0.000 1.048 88 V CB -0.711 31.114 31.823 0.002 0.000 0.666 88 V HN 0.544 nan 8.190 nan 0.000 0.456 89 D N -0.058 120.338 120.400 -0.007 0.000 2.097 89 D HA -0.152 4.489 4.640 0.001 0.000 0.195 89 D C 1.939 178.233 176.300 -0.011 0.000 0.989 89 D CA 1.150 55.146 54.000 -0.007 0.000 0.827 89 D CB -0.303 40.493 40.800 -0.006 0.000 0.966 89 D HN 0.324 nan 8.370 nan 0.000 0.456 90 L N 0.925 122.135 121.223 -0.022 0.000 2.027 90 L HA -0.030 4.310 4.340 0.001 0.000 0.206 90 L C 2.130 178.993 176.870 -0.012 0.000 1.074 90 L CA 1.788 56.616 54.840 -0.020 0.000 0.745 90 L CB -1.001 41.038 42.059 -0.033 0.000 0.898 90 L HN -0.014 nan 8.230 nan 0.000 0.433 91 A N -1.607 121.204 122.820 -0.016 0.000 1.917 91 A HA -0.246 4.074 4.320 0.001 0.000 0.219 91 A C 2.279 179.855 177.584 -0.014 0.000 1.182 91 A CA 2.506 54.533 52.037 -0.017 0.000 0.633 91 A CB -1.255 17.735 19.000 -0.017 0.000 0.819 91 A HN 0.525 nan 8.150 nan 0.000 0.448 92 T N -0.921 113.627 114.554 -0.009 0.000 2.737 92 T HA -0.118 4.233 4.350 0.001 0.000 0.265 92 T C 2.103 176.804 174.700 0.002 0.000 1.038 92 T CA 1.638 63.735 62.100 -0.005 0.000 1.144 92 T CB -0.223 68.644 68.868 -0.002 0.000 0.866 92 T HN 0.531 nan 8.240 nan 0.000 0.434 93 R N 1.298 121.801 120.500 0.006 0.000 2.080 93 R HA 0.011 4.351 4.340 0.001 0.000 0.236 93 R C 2.245 178.563 176.300 0.031 0.000 1.137 93 R CA 1.541 57.651 56.100 0.017 0.000 0.943 93 R CB -1.067 29.242 30.300 0.016 0.000 0.846 93 R HN 0.384 nan 8.270 nan 0.000 0.431 94 L N -0.153 121.084 121.223 0.023 0.000 2.042 94 L HA -0.138 4.203 4.340 0.001 0.000 0.210 94 L C 2.533 179.400 176.870 -0.006 0.000 1.076 94 L CA 1.412 56.265 54.840 0.022 0.000 0.749 94 L CB -0.734 41.318 42.059 -0.011 0.000 0.893 94 L HN 0.385 nan 8.230 nan 0.000 0.432 95 A N 0.278 123.089 122.820 -0.016 0.000 1.940 95 A HA -0.217 4.104 4.320 0.001 0.000 0.219 95 A C 2.021 179.602 177.584 -0.005 0.000 1.176 95 A CA 1.950 53.972 52.037 -0.025 0.000 0.631 95 A CB -0.525 18.462 19.000 -0.022 0.000 0.814 95 A HN 0.457 nan 8.150 nan 0.000 0.446 96 N N 0.157 118.864 118.700 0.013 0.000 2.270 96 N HA -0.070 4.671 4.740 0.001 0.000 0.181 96 N C 1.535 177.076 175.510 0.052 0.000 1.016 96 N CA 1.667 54.732 53.050 0.026 0.000 0.870 96 N CB -0.342 38.159 38.487 0.023 0.000 0.979 96 N HN 0.808 nan 8.380 nan 0.000 0.431 97 I N -1.768 118.856 120.570 0.090 0.000 3.956 97 I HA 0.188 4.359 4.170 0.001 0.000 0.333 97 I C 0.144 176.421 176.117 0.267 0.000 1.302 97 I CA -0.172 61.227 61.300 0.165 0.000 1.122 97 I CB -0.140 37.975 38.000 0.193 0.000 1.013 97 I HN -0.186 nan 8.210 nan 0.000 0.405 98 T N -0.538 114.086 114.554 0.116 0.000 2.912 98 T HA 0.533 4.884 4.350 0.001 0.000 0.280 98 T C -2.524 172.191 174.700 0.024 0.000 0.989 98 T CA -1.841 60.261 62.100 0.004 0.000 0.995 98 T CB 0.900 69.633 68.868 -0.226 0.000 1.077 98 T HN -0.115 nan 8.240 nan 0.000 0.531 99 P HA 0.229 nan 4.420 nan 0.000 0.269 99 P C -2.587 174.706 177.300 -0.012 0.000 1.217 99 P CA -1.191 61.917 63.100 0.013 0.000 0.783 99 P CB -1.000 30.705 31.700 0.008 0.000 0.898 100 P HA 0.127 nan 4.420 nan 0.000 0.268 100 P C 0.925 178.213 177.300 -0.020 0.000 1.204 100 P CA 1.184 64.278 63.100 -0.010 0.000 0.768 100 P CB 0.068 31.766 31.700 -0.003 0.000 0.842 101 G N 2.057 110.841 108.800 -0.026 0.000 2.218 101 G HA2 -0.186 3.775 3.960 0.001 0.000 0.216 101 G HA3 -0.186 3.775 3.960 0.001 0.000 0.216 101 G C -0.263 174.610 174.900 -0.045 0.000 0.994 101 G CA -0.499 44.582 45.100 -0.032 0.000 0.637 101 G HN 0.457 nan 8.290 nan 0.000 0.505 102 L N 1.700 122.891 121.223 -0.054 0.000 2.276 102 L HA 0.530 4.870 4.340 0.001 0.000 0.286 102 L C 0.078 176.910 176.870 -0.064 0.000 1.024 102 L CA -0.740 54.055 54.840 -0.074 0.000 0.826 102 L CB 1.347 43.343 42.059 -0.106 0.000 1.211 102 L HN 0.044 nan 8.230 nan 0.000 0.422 103 D N 1.458 121.822 120.400 -0.060 0.000 2.461 103 D HA 0.137 4.777 4.640 0.001 0.000 0.266 103 D C 0.430 176.701 176.300 -0.049 0.000 1.085 103 D CA 0.250 54.221 54.000 -0.048 0.000 0.887 103 D CB 0.992 41.768 40.800 -0.040 0.000 1.309 103 D HN 0.357 nan 8.370 nan 0.000 0.498 104 R N 0.950 121.414 120.500 -0.059 0.000 2.599 104 R HA 0.782 5.122 4.340 0.001 0.000 0.295 104 R C -0.648 175.615 176.300 -0.062 0.000 0.963 104 R CA -0.637 55.430 56.100 -0.055 0.000 0.883 104 R CB 2.575 32.841 30.300 -0.057 0.000 1.171 104 R HN -0.081 nan 8.270 nan 0.000 0.450 105 A N 2.420 125.211 122.820 -0.049 0.000 2.354 105 A HA 0.713 5.034 4.320 0.001 0.000 0.321 105 A C -1.317 176.247 177.584 -0.034 0.000 1.125 105 A CA -0.695 51.312 52.037 -0.051 0.000 0.799 105 A CB 1.482 20.456 19.000 -0.044 0.000 1.293 105 A HN 0.529 nan 8.150 nan 0.000 0.452 106 L N 1.533 122.734 121.223 -0.037 0.000 2.376 106 L HA 0.609 4.949 4.340 0.001 0.000 0.275 106 L C -1.460 175.398 176.870 -0.019 0.000 0.987 106 L CA -0.186 54.647 54.840 -0.013 0.000 0.828 106 L CB 1.316 43.367 42.059 -0.015 0.000 1.249 106 L HN 0.584 nan 8.230 nan 0.000 0.409 107 L N 6.694 127.916 121.223 -0.002 0.000 2.262 107 L HA 0.486 4.826 4.340 0.001 0.000 0.288 107 L C -0.243 176.641 176.870 0.023 0.000 1.035 107 L CA -0.216 54.624 54.840 0.000 0.000 0.820 107 L CB 0.919 42.975 42.059 -0.006 0.000 1.204 107 L HN 0.659 nan 8.230 nan 0.000 0.424 108 L N 0.942 122.183 121.223 0.029 0.000 2.670 108 L HA 0.547 4.888 4.340 0.001 0.000 0.251 108 L C 0.896 177.803 176.870 0.062 0.000 1.548 108 L CA -0.341 54.541 54.840 0.069 0.000 1.643 108 L CB 1.282 43.386 42.059 0.074 0.000 2.174 108 L HN 0.472 nan 8.230 nan 0.000 0.585 109 S N -1.996 113.750 115.700 0.076 0.000 2.741 109 S HA 0.103 4.573 4.470 0.001 0.000 0.245 109 S C 0.266 174.889 174.600 0.038 0.000 1.083 109 S CA 0.241 58.467 58.200 0.044 0.000 0.873 109 S CB 0.801 64.023 63.200 0.037 0.000 0.814 109 S HN 0.796 nan 8.310 nan 0.000 0.476 110 T N -1.248 113.342 114.554 0.060 0.000 2.916 110 T HA 0.655 5.006 4.350 0.001 0.000 0.292 110 T C 1.255 175.996 174.700 0.067 0.000 1.064 110 T CA -0.053 62.083 62.100 0.059 0.000 1.011 110 T CB 1.460 70.367 68.868 0.064 0.000 1.152 110 T HN 0.035 nan 8.240 nan 0.000 0.510 111 G N 0.259 109.105 108.800 0.077 0.000 2.418 111 G HA2 0.057 4.017 3.960 0.001 0.000 0.217 111 G HA3 0.057 4.017 3.960 0.001 0.000 0.217 111 G C 1.676 176.638 174.900 0.103 0.000 1.158 111 G CA 0.847 46.002 45.100 0.093 0.000 0.771 111 G HN 1.135 nan 8.290 nan 0.000 0.545 112 A N 0.585 123.471 122.820 0.110 0.000 1.902 112 A HA -0.017 4.303 4.320 0.001 0.000 0.217 112 A C 2.135 179.774 177.584 0.091 0.000 1.181 112 A CA 1.986 54.082 52.037 0.098 0.000 0.623 112 A CB -0.486 18.562 19.000 0.079 0.000 0.818 112 A HN 0.451 nan 8.150 nan 0.000 0.443 113 E N 0.269 120.533 120.200 0.106 0.000 2.085 113 E HA -0.203 4.148 4.350 0.001 0.000 0.194 113 E C 2.292 178.929 176.600 0.061 0.000 0.994 113 E CA 1.678 58.172 56.400 0.157 0.000 0.801 113 E CB -0.113 29.691 29.700 0.172 0.000 0.743 113 E HN 0.769 nan 8.360 nan 0.000 0.453 114 S N 0.676 116.385 115.700 0.015 0.000 2.382 114 S HA -0.138 4.333 4.470 0.001 0.000 0.228 114 S C 1.656 176.216 174.600 -0.068 0.000 1.027 114 S CA 1.178 59.341 58.200 -0.063 0.000 0.991 114 S CB -0.355 62.832 63.200 -0.023 0.000 0.823 114 S HN 0.247 nan 8.310 nan 0.000 0.469 115 N N 1.648 120.346 118.700 -0.005 0.000 2.270 115 N HA -0.018 4.723 4.740 0.001 0.000 0.181 115 N C 1.714 177.210 175.510 -0.023 0.000 1.016 115 N CA 1.156 54.195 53.050 -0.019 0.000 0.870 115 N CB -0.359 38.131 38.487 0.005 0.000 0.979 115 N HN 0.569 nan 8.380 nan 0.000 0.431 116 E N 1.356 121.570 120.200 0.024 0.000 2.077 116 E HA -0.069 4.281 4.350 0.001 0.000 0.193 116 E C 1.955 178.582 176.600 0.045 0.000 0.989 116 E CA 0.756 57.215 56.400 0.097 0.000 0.800 116 E CB -0.166 29.679 29.700 0.241 0.000 0.746 116 E HN 0.305 nan 8.360 nan 0.000 0.452 117 A N 1.682 124.331 122.820 -0.285 0.000 1.908 117 A HA -0.127 4.194 4.320 0.001 0.000 0.218 117 A C 2.439 179.914 177.584 -0.181 0.000 1.181 117 A CA 2.134 53.756 52.037 -0.691 0.000 0.627 117 A CB -0.594 17.667 19.000 -1.232 0.000 0.818 117 A HN 0.278 nan 8.150 nan 0.000 0.445 118 A N -0.320 122.412 122.820 -0.146 0.000 1.898 118 A HA -0.044 4.276 4.320 0.001 0.000 0.216 118 A C 2.123 179.689 177.584 -0.031 0.000 1.181 118 A CA 1.498 53.482 52.037 -0.088 0.000 0.620 118 A CB -0.560 18.388 19.000 -0.086 0.000 0.819 118 A HN 0.492 nan 8.150 nan 0.000 0.442 119 I N -1.048 119.515 120.570 -0.012 0.000 2.315 119 I HA -0.211 3.960 4.170 0.001 0.000 0.248 119 I C 2.680 178.840 176.117 0.071 0.000 1.117 119 I CA 1.485 62.793 61.300 0.013 0.000 1.404 119 I CB -0.240 37.763 38.000 0.004 0.000 1.071 119 I HN 0.380 nan 8.210 nan 0.000 0.419 120 R N 1.048 121.628 120.500 0.134 0.000 2.075 120 R HA -0.205 4.136 4.340 0.001 0.000 0.232 120 R C 2.385 178.839 176.300 0.256 0.000 1.126 120 R CA 1.565 57.794 56.100 0.214 0.000 0.963 120 R CB -0.219 30.274 30.300 0.321 0.000 0.858 120 R HN 0.267 nan 8.270 nan 0.000 0.435 121 M N 0.118 119.870 119.600 0.253 0.000 2.086 121 M HA -0.125 4.355 4.480 0.001 0.000 0.261 121 M C 2.138 178.448 176.300 0.016 0.000 1.067 121 M CA 2.110 57.445 55.300 0.059 0.000 1.116 121 M CB -0.104 32.363 32.600 -0.221 0.000 1.348 121 M HN 0.305 nan 8.290 nan 0.000 0.407 122 A N 0.380 123.209 122.820 0.014 0.000 1.902 122 A HA -0.188 4.132 4.320 0.001 0.000 0.217 122 A C 2.044 179.650 177.584 0.037 0.000 1.181 122 A CA 1.936 53.979 52.037 0.009 0.000 0.623 122 A CB -0.583 18.419 19.000 0.004 0.000 0.818 122 A HN 0.578 nan 8.150 nan 0.000 0.443 123 K N -0.951 119.489 120.400 0.066 0.000 2.057 123 K HA -0.098 4.222 4.320 0.001 0.000 0.207 123 K C 1.914 178.566 176.600 0.086 0.000 1.049 123 K CA 1.305 57.641 56.287 0.083 0.000 0.931 123 K CB -0.341 32.223 32.500 0.106 0.000 0.714 123 K HN 0.379 nan 8.250 nan 0.000 0.440 124 L N 1.040 122.325 121.223 0.103 0.000 1.994 124 L HA -0.158 4.183 4.340 0.001 0.000 0.208 124 L C 2.127 179.036 176.870 0.065 0.000 1.071 124 L CA 1.591 56.495 54.840 0.106 0.000 0.745 124 L CB -0.489 41.675 42.059 0.175 0.000 0.892 124 L HN 0.105 nan 8.230 nan 0.000 0.431 125 V N -3.678 116.260 119.914 0.040 0.000 3.041 125 V HA -0.064 4.057 4.120 0.001 0.000 0.260 125 V C 2.042 178.147 176.094 0.018 0.000 1.105 125 V CA 1.562 63.872 62.300 0.017 0.000 1.125 125 V CB -1.619 30.198 31.823 -0.010 0.000 0.730 125 V HN 0.673 nan 8.190 nan 0.000 0.479 126 T N -3.451 111.119 114.554 0.026 0.000 3.044 126 T HA 0.377 4.728 4.350 0.001 0.000 0.250 126 T C 1.763 176.483 174.700 0.034 0.000 1.081 126 T CA 0.776 62.890 62.100 0.023 0.000 1.040 126 T CB 0.198 69.078 68.868 0.020 0.000 0.962 126 T HN 1.520 nan 8.240 nan 0.000 0.506 127 G N 1.370 110.199 108.800 0.049 0.000 2.168 127 G HA2 -0.266 3.694 3.960 0.001 0.000 0.257 127 G HA3 -0.266 3.694 3.960 0.001 0.000 0.257 127 G C -0.046 174.905 174.900 0.085 0.000 0.997 127 G CA 0.709 45.845 45.100 0.061 0.000 0.708 127 G HN 0.698 nan 8.290 nan 0.000 0.520 128 K N -2.019 118.430 120.400 0.080 0.000 2.331 128 K HA 0.715 5.035 4.320 0.001 0.000 0.238 128 K C 0.507 177.186 176.600 0.131 0.000 1.058 128 K CA -0.533 55.803 56.287 0.083 0.000 0.871 128 K CB 1.041 33.532 32.500 -0.015 0.000 1.292 128 K HN 0.336 nan 8.250 nan 0.000 0.470 129 Y N -1.877 118.439 120.300 0.026 0.000 2.459 129 Y HA 0.381 4.931 4.550 0.001 0.000 0.271 129 Y C -0.490 175.411 175.900 0.002 0.000 1.063 129 Y CA -0.666 57.441 58.100 0.012 0.000 1.216 129 Y CB 0.241 38.703 38.460 0.003 0.000 1.335 129 Y HN 0.355 nan 8.280 nan 0.000 0.550 130 E N 3.165 123.086 120.200 -0.464 0.000 2.344 130 E HA 0.275 4.625 4.350 0.001 0.000 0.270 130 E C -0.602 175.955 176.600 -0.072 0.000 1.021 130 E CA -0.052 56.213 56.400 -0.225 0.000 0.887 130 E CB 1.205 30.793 29.700 -0.187 0.000 0.997 130 E HN 0.200 nan 8.360 nan 0.000 0.429 131 I N 3.196 123.733 120.570 -0.054 0.000 2.509 131 I HA 0.313 4.483 4.170 0.001 0.000 0.293 131 I C -0.338 175.719 176.117 -0.099 0.000 1.020 131 I CA -0.866 60.392 61.300 -0.069 0.000 1.088 131 I CB 1.610 39.566 38.000 -0.073 0.000 1.267 131 I HN 0.252 nan 8.210 nan 0.000 0.430 132 V N 4.577 124.351 119.914 -0.234 0.000 2.495 132 V HA 0.887 5.007 4.120 0.001 0.000 0.298 132 V C 0.422 175.918 176.094 -0.997 0.000 1.031 132 V CA -0.375 61.655 62.300 -0.450 0.000 0.871 132 V CB 1.753 33.314 31.823 -0.436 0.000 0.988 132 V HN 0.984 nan 8.190 nan 0.000 0.432 133 G N 1.945 110.285 108.800 -0.765 0.000 3.105 133 G HA2 0.727 4.688 3.960 0.001 0.000 0.277 133 G HA3 0.727 4.688 3.960 0.001 0.000 0.277 133 G C -1.549 173.021 174.900 -0.550 0.000 1.375 133 G CA -0.647 44.011 45.100 -0.736 0.000 0.962 133 G HN 0.274 nan 8.290 nan 0.000 0.541 134 F N 0.415 120.383 119.950 0.030 0.000 2.375 134 F HA 0.509 5.036 4.527 0.001 0.000 0.333 134 F C 1.599 177.391 175.800 -0.014 0.000 1.104 134 F CA -0.436 57.616 58.000 0.087 0.000 1.149 134 F CB 1.820 40.929 39.000 0.182 0.000 1.190 134 F HN 0.496 nan 8.300 nan 0.000 0.533 135 A N 1.948 124.892 122.820 0.207 0.000 2.172 135 A HA -0.091 4.229 4.320 0.001 0.000 0.216 135 A C 1.323 179.028 177.584 0.202 0.000 1.154 135 A CA 0.974 53.055 52.037 0.073 0.000 0.701 135 A CB -0.532 18.504 19.000 0.060 0.000 0.789 135 A HN 0.666 nan 8.150 nan 0.000 0.465 136 Q N 0.401 120.330 119.800 0.216 0.000 2.157 136 Q HA 0.169 4.510 4.340 0.001 0.000 0.229 136 Q C 0.180 176.292 176.000 0.186 0.000 0.827 136 Q CA 0.362 56.260 55.803 0.160 0.000 1.055 136 Q CB -0.908 27.850 28.738 0.034 0.000 1.157 136 Q HN 0.541 nan 8.270 nan 0.000 0.482 137 S N 0.150 116.021 115.700 0.285 0.000 2.600 137 S HA 0.412 4.882 4.470 0.001 0.000 0.265 137 S C -0.456 174.215 174.600 0.118 0.000 1.325 137 S CA -0.484 57.830 58.200 0.190 0.000 1.002 137 S CB 1.086 64.460 63.200 0.289 0.000 0.921 137 S HN 0.506 nan 8.310 nan 0.000 0.554 138 W N 2.051 123.143 121.300 -0.348 0.000 2.934 138 W HA 0.342 5.003 4.660 0.001 0.000 0.333 138 W C -1.111 175.134 176.519 -0.458 0.000 1.035 138 W CA -0.450 56.730 57.345 -0.275 0.000 1.256 138 W CB 0.945 30.322 29.460 -0.139 0.000 1.306 138 W HN 0.967 nan 8.180 nan 0.000 0.430 139 H N 3.023 122.138 119.070 0.074 0.000 2.893 139 H HA 0.361 4.917 4.556 0.001 0.000 0.270 139 H C 1.069 176.413 175.328 0.027 0.000 1.095 139 H CA 0.858 56.972 56.048 0.109 0.000 1.186 139 H CB 1.716 31.505 29.762 0.046 0.000 1.562 139 H HN 0.540 nan 8.280 nan 0.000 0.536 140 G N 0.373 109.063 108.800 -0.183 0.000 2.361 140 G HA2 -0.082 3.879 3.960 0.001 0.000 0.331 140 G HA3 -0.082 3.879 3.960 0.001 0.000 0.331 140 G C 0.158 174.894 174.900 -0.274 0.000 1.324 140 G CA -0.441 44.596 45.100 -0.104 0.000 0.984 140 G HN -0.039 nan 8.290 nan 0.000 0.586 141 M N 0.636 120.157 119.600 -0.133 0.000 2.465 141 M HA 0.172 4.653 4.480 0.001 0.000 0.249 141 M C 1.576 177.818 176.300 -0.097 0.000 1.130 141 M CA 1.164 56.376 55.300 -0.147 0.000 1.067 141 M CB -0.326 32.238 32.600 -0.060 0.000 1.394 141 M HN 0.869 nan 8.290 nan 0.000 0.483 142 T N -1.784 112.736 114.554 -0.057 0.000 2.913 142 T HA 0.559 4.909 4.350 0.001 0.000 0.287 142 T C 1.476 176.148 174.700 -0.047 0.000 1.008 142 T CA -0.044 62.035 62.100 -0.035 0.000 1.067 142 T CB 1.872 70.744 68.868 0.005 0.000 0.996 142 T HN 0.358 nan 8.240 nan 0.000 0.513 143 G N 1.929 110.704 108.800 -0.040 0.000 3.676 143 G HA2 -0.355 3.606 3.960 0.001 0.000 0.271 143 G HA3 -0.355 3.606 3.960 0.001 0.000 0.271 143 G C 1.655 176.522 174.900 -0.055 0.000 0.946 143 G CA 1.957 47.029 45.100 -0.046 0.000 0.788 143 G HN 1.445 nan 8.290 nan 0.000 1.315 144 A N 0.092 122.896 122.820 -0.027 0.000 1.929 144 A HA 0.408 4.729 4.320 0.001 0.000 0.216 144 A C 2.863 180.418 177.584 -0.048 0.000 1.176 144 A CA 2.336 54.354 52.037 -0.032 0.000 0.628 144 A CB -0.741 18.260 19.000 0.003 0.000 0.816 144 A HN 1.443 nan 8.150 nan 0.000 0.444 145 A N -0.062 122.741 122.820 -0.029 0.000 1.933 145 A HA 0.182 4.502 4.320 0.001 0.000 0.218 145 A C 2.441 179.976 177.584 -0.082 0.000 1.175 145 A CA 1.949 53.976 52.037 -0.017 0.000 0.628 145 A CB -0.831 18.179 19.000 0.017 0.000 0.814 145 A HN 0.958 nan 8.150 nan 0.000 0.444 146 A N -0.773 121.965 122.820 -0.136 0.000 1.897 146 A HA 0.004 4.324 4.320 0.001 0.000 0.215 146 A C 2.377 179.804 177.584 -0.263 0.000 1.181 146 A CA 1.757 53.658 52.037 -0.226 0.000 0.620 146 A CB -0.780 18.099 19.000 -0.203 0.000 0.821 146 A HN 0.420 nan 8.150 nan 0.000 0.443 147 S N -0.143 115.434 115.700 -0.204 0.000 2.419 147 S HA -0.039 4.431 4.470 0.001 0.000 0.235 147 S C 1.847 176.249 174.600 -0.330 0.000 1.019 147 S CA 1.115 59.171 58.200 -0.239 0.000 0.982 147 S CB -0.258 62.854 63.200 -0.146 0.000 0.789 147 S HN 0.770 nan 8.310 nan 0.000 0.490 148 A N 0.584 123.280 122.820 -0.208 0.000 2.307 148 A HA 0.272 4.593 4.320 0.001 0.000 0.218 148 A C 0.683 178.239 177.584 -0.048 0.000 1.228 148 A CA 0.014 52.014 52.037 -0.063 0.000 0.857 148 A CB 0.053 19.052 19.000 -0.002 0.000 0.897 148 A HN 0.271 nan 8.150 nan 0.000 0.495 149 T N -0.132 114.207 114.554 -0.357 0.000 2.753 149 T HA 0.410 4.760 4.350 0.001 0.000 0.297 149 T C -0.110 174.340 174.700 -0.417 0.000 0.981 149 T CA 0.117 62.056 62.100 -0.269 0.000 0.956 149 T CB 0.203 68.828 68.868 -0.406 0.000 0.936 149 T HN 0.360 nan 8.240 nan 0.000 0.463 150 Y N 0.882 121.186 120.300 0.007 0.000 2.445 150 Y HA 0.102 4.652 4.550 0.001 0.000 0.247 150 Y C 2.545 178.474 175.900 0.048 0.000 1.129 150 Y CA -0.307 57.808 58.100 0.026 0.000 1.251 150 Y CB 0.390 38.888 38.460 0.063 0.000 1.176 150 Y HN 0.668 nan 8.280 nan 0.000 0.522 151 S N -0.273 115.545 115.700 0.196 0.000 2.453 151 S HA 0.416 4.887 4.470 0.001 0.000 0.231 151 S C 0.865 175.558 174.600 0.155 0.000 1.005 151 S CA 0.456 58.775 58.200 0.197 0.000 0.949 151 S CB 0.012 63.365 63.200 0.255 0.000 0.774 151 S HN 0.223 nan 8.310 nan 0.000 0.510 152 A N -1.312 121.542 122.820 0.058 0.000 2.511 152 A HA 0.649 4.969 4.320 0.001 0.000 0.293 152 A C 0.760 178.255 177.584 -0.148 0.000 1.098 152 A CA -0.175 51.865 52.037 0.004 0.000 0.643 152 A CB -0.360 18.714 19.000 0.123 0.000 1.302 152 A HN 1.423 nan 8.150 nan 0.000 0.446 153 G N -0.724 108.006 108.800 -0.116 0.000 2.189 153 G HA2 -0.285 3.676 3.960 0.001 0.000 0.267 153 G HA3 -0.285 3.676 3.960 0.001 0.000 0.267 153 G C 0.828 175.643 174.900 -0.141 0.000 0.975 153 G CA 1.095 46.101 45.100 -0.156 0.000 0.644 153 G HN 0.886 nan 8.290 nan 0.000 0.537 154 R N -0.047 120.383 120.500 -0.117 0.000 2.200 154 R HA 0.085 4.426 4.340 0.001 0.000 0.208 154 R C 1.022 177.283 176.300 -0.065 0.000 1.033 154 R CA 0.718 56.752 56.100 -0.110 0.000 1.000 154 R CB 0.028 30.269 30.300 -0.097 0.000 0.906 154 R HN 0.348 nan 8.270 nan 0.000 0.462 155 K N -0.114 120.261 120.400 -0.042 0.000 2.087 155 K HA 0.282 4.602 4.320 0.001 0.000 0.255 155 K C 0.771 177.356 176.600 -0.025 0.000 0.988 155 K CA 0.275 56.547 56.287 -0.025 0.000 0.915 155 K CB 1.361 33.855 32.500 -0.009 0.000 1.043 155 K HN 0.162 nan 8.250 nan 0.000 0.457 156 G N -0.083 108.706 108.800 -0.019 0.000 2.212 156 G HA2 -0.298 3.663 3.960 0.001 0.000 0.266 156 G HA3 -0.298 3.663 3.960 0.001 0.000 0.266 156 G C 0.451 175.339 174.900 -0.020 0.000 0.978 156 G CA 0.574 45.664 45.100 -0.016 0.000 0.632 156 G HN 0.521 nan 8.290 nan 0.000 0.537 157 V N -2.264 117.632 119.914 -0.029 0.000 3.085 157 V HA 0.698 4.819 4.120 0.001 0.000 0.345 157 V C 1.298 177.370 176.094 -0.037 0.000 1.397 157 V CA 0.342 62.622 62.300 -0.034 0.000 1.165 157 V CB -0.333 31.463 31.823 -0.045 0.000 1.153 157 V HN 2.236 nan 8.190 nan 0.000 0.495 158 G N 1.369 110.150 108.800 -0.031 0.000 2.782 158 G HA2 -0.125 3.835 3.960 0.001 0.000 0.228 158 G HA3 -0.125 3.835 3.960 0.001 0.000 0.228 158 G C -2.205 172.672 174.900 -0.039 0.000 1.372 158 G CA -0.370 44.711 45.100 -0.031 0.000 0.862 158 G HN 0.588 nan 8.290 nan 0.000 0.547 159 P HA 0.520 nan 4.420 nan 0.000 0.269 159 P C 0.555 177.819 177.300 -0.061 0.000 1.209 159 P CA 0.551 63.625 63.100 -0.044 0.000 0.776 159 P CB 0.606 32.283 31.700 -0.040 0.000 0.876 160 A N 2.145 124.921 122.820 -0.073 0.000 2.251 160 A HA 0.608 4.929 4.320 0.001 0.000 0.278 160 A C 0.273 177.806 177.584 -0.086 0.000 1.206 160 A CA -0.081 51.898 52.037 -0.097 0.000 0.822 160 A CB -0.467 18.459 19.000 -0.123 0.000 1.187 160 A HN 0.617 nan 8.150 nan 0.000 0.504 161 A N -0.628 122.138 122.820 -0.090 0.000 2.498 161 A HA 0.455 4.775 4.320 0.001 0.000 0.239 161 A C 0.365 177.905 177.584 -0.073 0.000 1.068 161 A CA -0.235 51.759 52.037 -0.072 0.000 0.766 161 A CB -0.538 18.427 19.000 -0.059 0.000 1.003 161 A HN 1.151 nan 8.150 nan 0.000 0.497 162 V N 1.819 121.699 119.914 -0.056 0.000 2.694 162 V HA 0.370 4.491 4.120 0.001 0.000 0.306 162 V C 1.607 177.727 176.094 0.042 0.000 1.054 162 V CA 1.435 63.714 62.300 -0.035 0.000 1.161 162 V CB 0.036 31.809 31.823 -0.084 0.000 0.916 162 V HN 2.066 nan 8.190 nan 0.000 0.490 163 G N 3.518 112.296 108.800 -0.036 0.000 2.147 163 G HA2 -0.225 3.735 3.960 0.001 0.000 0.244 163 G HA3 -0.225 3.735 3.960 0.001 0.000 0.244 163 G C 0.166 174.759 174.900 -0.512 0.000 1.005 163 G CA 0.101 45.091 45.100 -0.183 0.000 0.713 163 G HN 0.798 nan 8.290 nan 0.000 0.515 164 S N -0.142 115.228 115.700 -0.550 0.000 2.489 164 S HA 0.811 5.281 4.470 0.001 0.000 0.277 164 S C -0.424 173.731 174.600 -0.742 0.000 1.230 164 S CA -0.140 57.810 58.200 -0.416 0.000 1.053 164 S CB 0.910 64.010 63.200 -0.166 0.000 0.955 164 S HN 0.338 nan 8.310 nan 0.000 0.488 165 F N 0.699 120.663 119.950 0.023 0.000 2.613 165 F HA 0.785 5.313 4.527 0.001 0.000 0.314 165 F C 0.192 175.813 175.800 -0.298 0.000 1.075 165 F CA -1.137 56.805 58.000 -0.098 0.000 0.945 165 F CB 1.572 40.479 39.000 -0.155 0.000 1.310 165 F HN 0.610 nan 8.300 nan 0.000 0.467 166 A N 1.468 124.162 122.820 -0.210 0.000 2.469 166 A HA 0.951 5.272 4.320 0.001 0.000 0.299 166 A C -1.219 176.224 177.584 -0.235 0.000 1.098 166 A CA -0.692 51.026 52.037 -0.532 0.000 0.737 166 A CB 1.706 20.000 19.000 -1.178 0.000 1.312 166 A HN 0.794 nan 8.150 nan 0.000 0.414 167 I N -2.019 118.487 120.570 -0.108 0.000 3.002 167 I HA 0.747 4.917 4.170 0.001 0.000 0.310 167 I C -2.962 173.303 176.117 0.247 0.000 1.087 167 I CA -3.089 58.256 61.300 0.074 0.000 1.017 167 I CB 2.322 40.400 38.000 0.131 0.000 1.226 167 I HN 0.236 nan 8.210 nan 0.000 0.443 168 P HA 0.217 nan 4.420 nan 0.000 0.271 168 P C -0.636 176.831 177.300 0.279 0.000 1.216 168 P CA -0.087 63.149 63.100 0.226 0.000 0.771 168 P CB 0.834 32.648 31.700 0.192 0.000 0.864 169 A N 5.405 128.268 122.820 0.072 0.000 2.371 169 A HA 0.446 4.766 4.320 0.001 0.000 0.257 169 A C -2.020 175.429 177.584 -0.226 0.000 1.089 169 A CA -1.416 50.361 52.037 -0.434 0.000 0.794 169 A CB -0.789 17.733 19.000 -0.796 0.000 1.029 169 A HN 0.437 nan 8.150 nan 0.000 0.488 170 P HA 0.160 nan 4.420 nan 0.000 0.276 170 P C -1.312 175.983 177.300 -0.007 0.000 1.264 170 P CA 0.301 63.279 63.100 -0.203 0.000 0.769 170 P CB 0.246 31.474 31.700 -0.786 0.000 0.840 171 F N 4.921 124.917 119.950 0.077 0.000 2.532 171 F HA 0.197 4.724 4.527 0.001 0.000 0.365 171 F C 1.281 177.090 175.800 0.015 0.000 1.112 171 F CA -1.157 56.835 58.000 -0.014 0.000 1.082 171 F CB 0.793 39.758 39.000 -0.058 0.000 1.319 171 F HN 0.226 nan 8.300 nan 0.000 0.457 172 T N 1.684 116.480 114.554 0.403 0.000 2.915 172 T HA -0.202 4.148 4.350 0.001 0.000 0.269 172 T C 1.650 176.348 174.700 -0.002 0.000 1.071 172 T CA 1.210 63.450 62.100 0.234 0.000 1.132 172 T CB -0.643 68.391 68.868 0.278 0.000 0.878 172 T HN 0.552 nan 8.240 nan 0.000 0.479 173 Y N 2.596 122.774 120.300 -0.204 0.000 2.373 173 Y HA 0.249 4.800 4.550 0.001 0.000 0.293 173 Y C 1.207 176.683 175.900 -0.707 0.000 1.129 173 Y CA 0.223 58.089 58.100 -0.390 0.000 1.226 173 Y CB 0.129 38.486 38.460 -0.172 0.000 1.000 173 Y HN 0.112 nan 8.280 nan 0.000 0.549 174 R N 1.220 120.946 120.500 -1.291 0.000 2.653 174 R HA 0.250 4.591 4.340 0.001 0.000 0.269 174 R C -2.800 173.060 176.300 -0.734 0.000 1.603 174 R CA -1.751 53.745 56.100 -1.007 0.000 1.671 174 R CB 0.683 30.362 30.300 -1.034 0.000 1.300 174 R HN 0.078 nan 8.270 nan 0.000 0.668 175 P HA 0.136 nan 4.420 nan 0.000 0.275 175 P C -0.058 176.945 177.300 -0.496 0.000 1.227 175 P CA -0.306 62.191 63.100 -1.004 0.000 0.781 175 P CB 1.207 32.080 31.700 -1.378 0.000 0.906 176 R N 1.263 121.620 120.500 -0.238 0.000 2.531 176 R HA 0.313 4.653 4.340 0.001 0.000 0.316 176 R C -0.671 175.698 176.300 0.114 0.000 0.955 176 R CA -0.388 55.691 56.100 -0.036 0.000 1.120 176 R CB -0.438 29.862 30.300 0.001 0.000 1.361 176 R HN 0.437 nan 8.270 nan 0.000 0.534 177 F N 1.453 121.466 119.950 0.107 0.000 2.434 177 F HA 0.377 4.905 4.527 0.001 0.000 0.355 177 F C -0.258 175.654 175.800 0.186 0.000 1.115 177 F CA -0.894 57.184 58.000 0.130 0.000 1.010 177 F CB 1.077 40.186 39.000 0.181 0.000 1.234 177 F HN -0.152 nan 8.300 nan 0.000 0.439 178 E N 5.516 125.601 120.200 -0.192 0.000 2.195 178 E HA 0.579 4.930 4.350 0.001 0.000 0.271 178 E C -1.051 175.442 176.600 -0.179 0.000 0.923 178 E CA -0.852 55.503 56.400 -0.076 0.000 0.790 178 E CB 1.025 30.675 29.700 -0.083 0.000 1.155 178 E HN 0.467 nan 8.360 nan 0.000 0.402 179 R N 3.243 123.717 120.500 -0.043 0.000 2.515 179 R HA 0.250 4.590 4.340 0.001 0.000 0.291 179 R C -0.999 175.290 176.300 -0.018 0.000 1.046 179 R CA -0.819 55.255 56.100 -0.043 0.000 0.914 179 R CB 1.199 31.507 30.300 0.014 0.000 1.191 179 R HN 0.740 nan 8.270 nan 0.000 0.435 180 N N 1.348 120.031 118.700 -0.028 0.000 2.696 180 N HA -0.197 4.543 4.740 0.001 0.000 0.256 180 N C 0.700 176.204 175.510 -0.011 0.000 1.031 180 N CA 1.494 54.533 53.050 -0.018 0.000 0.730 180 N CB -1.024 37.456 38.487 -0.012 0.000 0.894 180 N HN 1.083 nan 8.380 nan 0.000 0.544 181 G N -2.137 106.653 108.800 -0.016 0.000 2.233 181 G HA2 -0.023 3.937 3.960 0.001 0.000 0.270 181 G HA3 -0.023 3.937 3.960 0.001 0.000 0.270 181 G C 0.250 175.158 174.900 0.014 0.000 1.011 181 G CA 1.169 46.265 45.100 -0.007 0.000 0.762 181 G HN 1.359 nan 8.290 nan 0.000 0.511 182 A N -1.491 121.347 122.820 0.030 0.000 2.566 182 A HA 0.664 4.984 4.320 0.001 0.000 0.292 182 A C -0.715 176.954 177.584 0.142 0.000 1.112 182 A CA -0.695 51.384 52.037 0.069 0.000 0.707 182 A CB 0.986 20.014 19.000 0.046 0.000 1.302 182 A HN 1.241 nan 8.150 nan 0.000 0.409 183 Y N 1.781 122.106 120.300 0.042 0.000 2.624 183 Y HA 0.340 4.890 4.550 0.001 0.000 0.354 183 Y C -0.211 175.744 175.900 0.092 0.000 1.051 183 Y CA -0.762 57.400 58.100 0.102 0.000 1.377 183 Y CB 0.310 38.858 38.460 0.146 0.000 1.168 183 Y HN 0.571 nan 8.280 nan 0.000 0.525 184 D N 5.968 126.410 120.400 0.070 0.000 2.524 184 D HA -0.007 4.634 4.640 0.001 0.000 0.222 184 D C 0.628 176.802 176.300 -0.210 0.000 1.142 184 D CA -0.343 53.581 54.000 -0.127 0.000 0.973 184 D CB -0.261 40.577 40.800 0.062 0.000 1.025 184 D HN 0.646 nan 8.370 nan 0.000 0.519 185 Y N 1.018 120.999 120.300 -0.531 0.000 2.421 185 Y HA -0.057 4.493 4.550 0.001 0.000 0.292 185 Y C 1.346 177.175 175.900 -0.118 0.000 1.136 185 Y CA 0.192 57.995 58.100 -0.495 0.000 1.255 185 Y CB -0.371 37.714 38.460 -0.625 0.000 0.991 185 Y HN 0.171 nan 8.280 nan 0.000 0.552 186 L N 1.019 122.186 121.223 -0.095 0.000 2.109 186 L HA 0.076 4.416 4.340 0.001 0.000 0.207 186 L C 2.639 179.473 176.870 -0.059 0.000 1.086 186 L CA 1.297 56.117 54.840 -0.034 0.000 0.760 186 L CB -1.615 40.366 42.059 -0.129 0.000 0.910 186 L HN 0.414 nan 8.230 nan 0.000 0.437 187 A N -0.961 121.828 122.820 -0.051 0.000 1.930 187 A HA -0.221 4.099 4.320 0.001 0.000 0.217 187 A C 2.312 179.726 177.584 -0.283 0.000 1.175 187 A CA 1.496 53.541 52.037 0.013 0.000 0.627 187 A CB -0.476 18.675 19.000 0.252 0.000 0.815 187 A HN 0.477 nan 8.150 nan 0.000 0.443 188 E N -0.516 119.318 120.200 -0.611 0.000 2.085 188 E HA -0.217 4.133 4.350 0.001 0.000 0.194 188 E C 1.864 178.264 176.600 -0.332 0.000 0.994 188 E CA 1.362 57.084 56.400 -1.130 0.000 0.801 188 E CB -0.193 29.184 29.700 -0.538 0.000 0.743 188 E HN 0.456 nan 8.360 nan 0.000 0.453 189 L N 1.446 122.639 121.223 -0.051 0.000 2.046 189 L HA -0.185 4.155 4.340 0.001 0.000 0.208 189 L C 1.604 178.552 176.870 0.129 0.000 1.077 189 L CA 2.022 56.927 54.840 0.109 0.000 0.747 189 L CB -0.435 41.625 42.059 0.001 0.000 0.896 189 L HN 0.096 nan 8.230 nan 0.000 0.432 190 D N -1.563 118.859 120.400 0.036 0.000 2.117 190 D HA -0.255 4.386 4.640 0.001 0.000 0.197 190 D C 2.030 178.406 176.300 0.128 0.000 0.987 190 D CA 1.717 55.756 54.000 0.066 0.000 0.829 190 D CB -0.349 40.473 40.800 0.037 0.000 0.961 190 D HN 0.517 nan 8.370 nan 0.000 0.460 191 Y N 1.593 121.857 120.300 -0.061 0.000 2.181 191 Y HA -0.198 4.353 4.550 0.001 0.000 0.288 191 Y C 2.292 178.195 175.900 0.005 0.000 1.146 191 Y CA 1.897 59.987 58.100 -0.015 0.000 1.164 191 Y CB -0.165 38.240 38.460 -0.093 0.000 0.982 191 Y HN -0.053 nan 8.280 nan 0.000 0.515 192 A N -0.033 122.916 122.820 0.215 0.000 1.883 192 A HA -0.210 4.110 4.320 0.001 0.000 0.217 192 A C 2.070 179.648 177.584 -0.011 0.000 1.186 192 A CA 1.834 53.941 52.037 0.117 0.000 0.624 192 A CB -1.490 17.594 19.000 0.139 0.000 0.822 192 A HN 0.566 nan 8.150 nan 0.000 0.444 193 F N 0.502 120.443 119.950 -0.014 0.000 2.216 193 F HA -0.151 4.377 4.527 0.001 0.000 0.300 193 F C 2.051 177.798 175.800 -0.087 0.000 1.085 193 F CA 1.694 59.668 58.000 -0.043 0.000 1.326 193 F CB -0.093 38.884 39.000 -0.038 0.000 1.027 193 F HN 0.226 nan 8.300 nan 0.000 0.497 194 D N -0.113 120.327 120.400 0.067 0.000 2.178 194 D HA -0.146 4.494 4.640 0.001 0.000 0.201 194 D C 2.240 178.476 176.300 -0.106 0.000 0.980 194 D CA 0.817 54.801 54.000 -0.026 0.000 0.842 194 D CB -0.415 40.342 40.800 -0.073 0.000 0.948 194 D HN 0.198 nan 8.370 nan 0.000 0.472 195 L N 0.888 122.010 121.223 -0.169 0.000 2.027 195 L HA -0.114 4.227 4.340 0.001 0.000 0.206 195 L C 2.022 178.751 176.870 -0.236 0.000 1.074 195 L CA 1.222 55.939 54.840 -0.205 0.000 0.745 195 L CB -0.548 41.387 42.059 -0.206 0.000 0.898 195 L HN -0.085 nan 8.230 nan 0.000 0.433 196 I N 0.140 120.547 120.570 -0.272 0.000 2.151 196 I HA -0.316 3.855 4.170 0.001 0.000 0.243 196 I C 2.232 178.170 176.117 -0.298 0.000 1.080 196 I CA 1.479 62.533 61.300 -0.410 0.000 1.339 196 I CB -1.404 36.331 38.000 -0.442 0.000 1.039 196 I HN 0.332 nan 8.210 nan 0.000 0.409 197 D N 0.487 120.807 120.400 -0.133 0.000 2.123 197 D HA -0.171 4.469 4.640 0.001 0.000 0.196 197 D C 2.286 178.524 176.300 -0.104 0.000 0.992 197 D CA 0.964 54.922 54.000 -0.070 0.000 0.833 197 D CB -0.176 40.620 40.800 -0.007 0.000 0.954 197 D HN 0.240 nan 8.370 nan 0.000 0.455 198 R N 0.386 120.813 120.500 -0.123 0.000 2.148 198 R HA -0.026 4.314 4.340 0.001 0.000 0.227 198 R C 2.093 178.319 176.300 -0.124 0.000 1.103 198 R CA 0.651 56.688 56.100 -0.104 0.000 0.983 198 R CB -0.293 29.951 30.300 -0.094 0.000 0.874 198 R HN 0.485 nan 8.270 nan 0.000 0.451 199 Q N 0.038 119.706 119.800 -0.219 0.000 2.354 199 Q HA 0.066 4.406 4.340 0.001 0.000 0.203 199 Q C 0.835 176.750 176.000 -0.143 0.000 0.933 199 Q CA 0.006 55.679 55.803 -0.216 0.000 0.901 199 Q CB 0.157 28.665 28.738 -0.383 0.000 1.007 199 Q HN 0.024 nan 8.270 nan 0.000 0.495 200 S N 1.048 116.639 115.700 -0.182 0.000 2.558 200 S HA -0.030 4.441 4.470 0.001 0.000 0.287 200 S C 1.025 175.636 174.600 0.018 0.000 1.321 200 S CA 0.096 58.269 58.200 -0.045 0.000 1.048 200 S CB 0.652 63.813 63.200 -0.065 0.000 0.844 200 S HN 0.408 nan 8.310 nan 0.000 0.512 201 S N 2.851 118.583 115.700 0.055 0.000 2.671 201 S HA 0.344 4.814 4.470 0.001 0.000 0.220 201 S C 1.242 175.858 174.600 0.026 0.000 0.951 201 S CA 0.237 58.475 58.200 0.064 0.000 0.932 201 S CB -0.417 62.864 63.200 0.134 0.000 0.777 201 S HN 2.003 nan 8.310 nan 0.000 0.508 202 G N 1.791 110.587 108.800 -0.007 0.000 2.149 202 G HA2 -0.208 3.753 3.960 0.001 0.000 0.235 202 G HA3 -0.208 3.753 3.960 0.001 0.000 0.235 202 G C 0.029 174.905 174.900 -0.040 0.000 1.018 202 G CA 0.022 45.115 45.100 -0.012 0.000 0.728 202 G HN 0.551 nan 8.290 nan 0.000 0.508 203 N N 0.119 118.748 118.700 -0.119 0.000 2.497 203 N HA 0.190 4.930 4.740 0.001 0.000 0.284 203 N C 0.494 175.856 175.510 -0.246 0.000 1.459 203 N CA -0.240 52.673 53.050 -0.229 0.000 0.899 203 N CB 0.488 38.654 38.487 -0.535 0.000 1.316 203 N HN 0.397 nan 8.380 nan 0.000 0.500 204 L N 1.095 122.256 121.223 -0.104 0.000 2.500 204 L HA 0.130 4.471 4.340 0.001 0.000 0.272 204 L C 1.506 178.362 176.870 -0.024 0.000 1.149 204 L CA -0.130 54.685 54.840 -0.042 0.000 0.897 204 L CB 0.635 42.717 42.059 0.038 0.000 1.178 204 L HN 0.140 nan 8.230 nan 0.000 0.473 205 A N 3.398 126.201 122.820 -0.028 0.000 1.942 205 A HA 0.663 4.983 4.320 0.001 0.000 0.209 205 A C 0.862 178.461 177.584 0.025 0.000 1.214 205 A CA 0.896 52.932 52.037 -0.001 0.000 0.686 205 A CB 0.249 19.249 19.000 0.000 0.000 0.871 205 A HN 0.732 nan 8.150 nan 0.000 0.460 206 A N -1.878 120.962 122.820 0.034 0.000 2.610 206 A HA 0.629 4.949 4.320 0.001 0.000 0.291 206 A C -1.714 175.927 177.584 0.096 0.000 1.086 206 A CA -0.414 51.661 52.037 0.062 0.000 0.677 206 A CB 0.529 19.541 19.000 0.019 0.000 1.278 206 A HN 0.681 nan 8.150 nan 0.000 0.414 207 F N 0.675 120.625 119.950 -0.001 0.000 2.520 207 F HA 0.768 5.295 4.527 0.001 0.000 0.322 207 F C -0.600 175.155 175.800 -0.075 0.000 1.103 207 F CA -0.958 57.027 58.000 -0.025 0.000 0.926 207 F CB 1.425 40.445 39.000 0.033 0.000 1.154 207 F HN 0.613 nan 8.300 nan 0.000 0.453 208 I N 5.035 125.500 120.570 -0.174 0.000 2.474 208 I HA 0.845 5.015 4.170 0.001 0.000 0.294 208 I C -1.528 174.616 176.117 0.045 0.000 1.005 208 I CA -0.466 60.786 61.300 -0.080 0.000 1.113 208 I CB 1.438 39.240 38.000 -0.331 0.000 1.289 208 I HN 0.782 nan 8.210 nan 0.000 0.436 209 A N 5.832 128.784 122.820 0.219 0.000 2.547 209 A HA 0.566 4.886 4.320 0.001 0.000 0.297 209 A C -1.421 176.431 177.584 0.447 0.000 1.056 209 A CA -0.639 51.656 52.037 0.429 0.000 0.688 209 A CB 1.434 20.716 19.000 0.470 0.000 1.282 209 A HN 0.734 nan 8.150 nan 0.000 0.400 210 E N 2.167 122.688 120.200 0.535 0.000 2.216 210 E HA 0.346 4.697 4.350 0.001 0.000 0.279 210 E C -1.816 174.948 176.600 0.273 0.000 0.997 210 E CA -1.754 54.851 56.400 0.342 0.000 0.817 210 E CB 1.601 31.452 29.700 0.251 0.000 1.096 210 E HN 0.356 nan 8.360 nan 0.000 0.393 211 P HA -0.055 nan 4.420 nan 0.000 0.217 211 P C -0.187 177.147 177.300 0.056 0.000 1.151 211 P CA 1.170 64.349 63.100 0.132 0.000 0.828 211 P CB 0.406 32.172 31.700 0.109 0.000 0.788 212 I N -0.835 119.757 120.570 0.036 0.000 2.439 212 I HA 0.159 4.330 4.170 0.001 0.000 0.285 212 I C -0.728 175.371 176.117 -0.030 0.000 1.021 212 I CA -1.155 60.126 61.300 -0.031 0.000 1.091 212 I CB 1.942 39.919 38.000 -0.037 0.000 1.242 212 I HN -0.325 nan 8.210 nan 0.000 0.439 213 L N 5.584 126.757 121.223 -0.083 0.000 2.385 213 L HA 0.146 4.486 4.340 0.001 0.000 0.281 213 L C 1.234 178.044 176.870 -0.100 0.000 1.106 213 L CA 0.804 55.602 54.840 -0.070 0.000 0.856 213 L CB 1.060 43.034 42.059 -0.141 0.000 1.186 213 L HN 0.657 nan 8.230 nan 0.000 0.453 214 S N 1.329 116.981 115.700 -0.080 0.000 2.324 214 S HA -0.082 4.389 4.470 0.001 0.000 0.210 214 S C 1.963 176.475 174.600 -0.148 0.000 1.027 214 S CA 1.134 59.266 58.200 -0.114 0.000 0.945 214 S CB 0.072 63.203 63.200 -0.115 0.000 0.908 214 S HN 0.692 nan 8.310 nan 0.000 0.496 215 S N 0.817 116.399 115.700 -0.197 0.000 2.402 215 S HA -0.069 4.401 4.470 0.001 0.000 0.233 215 S C 1.759 176.293 174.600 -0.110 0.000 1.030 215 S CA 1.229 59.278 58.200 -0.252 0.000 1.003 215 S CB -0.843 62.077 63.200 -0.466 0.000 0.813 215 S HN 0.718 nan 8.310 nan 0.000 0.477 216 G N -0.180 108.581 108.800 -0.064 0.000 2.848 216 G HA2 0.356 4.316 3.960 0.001 0.000 0.208 216 G HA3 0.356 4.316 3.960 0.001 0.000 0.208 216 G C 0.782 175.598 174.900 -0.140 0.000 1.152 216 G CA 0.394 45.458 45.100 -0.059 0.000 0.789 216 G HN 0.847 nan 8.290 nan 0.000 0.531 217 G N 0.421 109.131 108.800 -0.150 0.000 2.155 217 G HA2 -0.119 3.842 3.960 0.001 0.000 0.135 217 G HA3 -0.119 3.842 3.960 0.001 0.000 0.135 217 G C 0.385 175.165 174.900 -0.199 0.000 1.023 217 G CA -0.401 44.598 45.100 -0.168 0.000 0.688 217 G HN 0.767 nan 8.290 nan 0.000 0.499 218 I N -0.548 119.921 120.570 -0.169 0.000 7.063 218 I HA -0.216 3.955 4.170 0.001 0.000 0.126 218 I C 0.516 176.508 176.117 -0.209 0.000 1.739 218 I CA 0.673 61.884 61.300 -0.148 0.000 2.259 218 I CB -1.944 35.998 38.000 -0.097 0.000 3.408 218 I HN 0.427 nan 8.210 nan 0.000 0.232 219 I N 2.191 122.589 120.570 -0.287 0.000 2.307 219 I HA 0.236 4.406 4.170 0.001 0.000 0.289 219 I C 0.947 176.905 176.117 -0.264 0.000 1.021 219 I CA -0.224 60.843 61.300 -0.388 0.000 1.224 219 I CB 1.409 39.049 38.000 -0.599 0.000 1.376 219 I HN 0.283 nan 8.210 nan 0.000 0.470 220 E N 7.269 127.358 120.200 -0.184 0.000 2.229 220 E HA 0.315 4.665 4.350 0.001 0.000 0.283 220 E C -0.686 175.797 176.600 -0.195 0.000 1.030 220 E CA -0.710 55.605 56.400 -0.141 0.000 0.836 220 E CB 0.914 30.567 29.700 -0.078 0.000 1.068 220 E HN 0.510 nan 8.360 nan 0.000 0.401 221 L N 7.306 128.406 121.223 -0.205 0.000 2.513 221 L HA 0.134 4.474 4.340 0.001 0.000 0.272 221 L C -1.665 175.075 176.870 -0.217 0.000 1.187 221 L CA -1.357 53.301 54.840 -0.303 0.000 0.895 221 L CB -0.192 41.790 42.059 -0.128 0.000 1.147 221 L HN 0.503 nan 8.230 nan 0.000 0.483 222 P HA 0.058 nan 4.420 nan 0.000 0.279 222 P C -0.644 176.613 177.300 -0.072 0.000 1.282 222 P CA -0.667 62.258 63.100 -0.292 0.000 0.788 222 P CB 0.534 31.820 31.700 -0.691 0.000 1.139 223 D N -0.201 120.242 120.400 0.072 0.000 2.581 223 D HA 0.075 4.715 4.640 0.001 0.000 0.238 223 D C 1.548 178.002 176.300 0.257 0.000 1.145 223 D CA 2.235 56.337 54.000 0.169 0.000 0.866 223 D CB -0.192 40.716 40.800 0.180 0.000 1.151 223 D HN 0.722 nan 8.370 nan 0.000 0.500 224 G N 3.146 112.051 108.800 0.175 0.000 2.212 224 G HA2 -0.421 3.539 3.960 0.001 0.000 0.266 224 G HA3 -0.421 3.539 3.960 0.001 0.000 0.266 224 G C 0.902 175.904 174.900 0.170 0.000 0.978 224 G CA 0.686 45.878 45.100 0.153 0.000 0.632 224 G HN 0.613 nan 8.290 nan 0.000 0.537 225 Y N 0.367 120.724 120.300 0.095 0.000 2.145 225 Y HA 0.052 4.602 4.550 0.001 0.000 0.286 225 Y C 2.836 178.752 175.900 0.027 0.000 1.145 225 Y CA 2.885 61.025 58.100 0.068 0.000 1.148 225 Y CB -0.245 38.181 38.460 -0.056 0.000 0.981 225 Y HN 0.334 nan 8.280 nan 0.000 0.507 226 M N 0.349 120.080 119.600 0.220 0.000 2.108 226 M HA -0.160 4.320 4.480 0.001 0.000 0.261 226 M C 2.233 178.519 176.300 -0.024 0.000 1.066 226 M CA 2.178 57.553 55.300 0.126 0.000 1.107 226 M CB -0.521 32.159 32.600 0.134 0.000 1.356 226 M HN 0.307 nan 8.290 nan 0.000 0.406 227 A N -0.102 122.709 122.820 -0.016 0.000 1.877 227 A HA -0.020 4.300 4.320 0.001 0.000 0.216 227 A C 2.365 179.873 177.584 -0.127 0.000 1.186 227 A CA 2.049 54.053 52.037 -0.054 0.000 0.620 227 A CB -1.475 17.509 19.000 -0.026 0.000 0.822 227 A HN 0.667 nan 8.150 nan 0.000 0.443 228 A N -0.686 122.030 122.820 -0.172 0.000 1.972 228 A HA -0.014 4.306 4.320 0.001 0.000 0.219 228 A C 2.116 179.490 177.584 -0.351 0.000 1.169 228 A CA 1.707 53.595 52.037 -0.249 0.000 0.635 228 A CB -0.546 18.287 19.000 -0.279 0.000 0.810 228 A HN 0.711 nan 8.150 nan 0.000 0.446 229 L N -0.147 120.832 121.223 -0.405 0.000 2.056 229 L HA -0.073 4.267 4.340 0.001 0.000 0.207 229 L C 2.220 178.887 176.870 -0.337 0.000 1.078 229 L CA 2.683 57.258 54.840 -0.441 0.000 0.749 229 L CB -0.598 41.222 42.059 -0.398 0.000 0.901 229 L HN 0.341 nan 8.230 nan 0.000 0.433 230 K N -0.446 119.822 120.400 -0.220 0.000 2.103 230 K HA -0.155 4.165 4.320 0.001 0.000 0.207 230 K C 2.235 178.731 176.600 -0.174 0.000 1.048 230 K CA 1.470 57.664 56.287 -0.155 0.000 0.930 230 K CB -0.123 32.320 32.500 -0.095 0.000 0.716 230 K HN 0.294 nan 8.250 nan 0.000 0.444 231 R N 0.040 120.420 120.500 -0.200 0.000 2.092 231 R HA -0.031 4.309 4.340 0.001 0.000 0.231 231 R C 2.023 178.162 176.300 -0.267 0.000 1.119 231 R CA 1.048 57.031 56.100 -0.195 0.000 0.970 231 R CB -0.099 30.096 30.300 -0.177 0.000 0.864 231 R HN 0.072 nan 8.270 nan 0.000 0.440 232 K N 0.508 120.660 120.400 -0.414 0.000 2.063 232 K HA -0.149 4.172 4.320 0.001 0.000 0.208 232 K C 2.172 178.500 176.600 -0.454 0.000 1.048 232 K CA 1.312 57.213 56.287 -0.642 0.000 0.928 232 K CB -0.605 31.122 32.500 -1.288 0.000 0.713 232 K HN 0.245 nan 8.250 nan 0.000 0.442 233 C N 1.093 120.209 119.300 -0.306 0.000 2.436 233 C HA -0.069 4.392 4.460 0.001 0.000 0.277 233 C C 2.612 177.549 174.990 -0.089 0.000 1.241 233 C CA 0.595 59.547 59.018 -0.109 0.000 1.721 233 C CB -0.753 26.964 27.740 -0.039 0.000 2.043 233 C HN 0.549 nan 8.230 nan 0.000 0.472 234 E N 1.049 121.186 120.200 -0.104 0.000 2.097 234 E HA -0.226 4.125 4.350 0.001 0.000 0.196 234 E C 2.309 178.863 176.600 -0.077 0.000 1.000 234 E CA 1.477 57.831 56.400 -0.077 0.000 0.804 234 E CB -0.311 29.340 29.700 -0.081 0.000 0.740 234 E HN 0.672 nan 8.360 nan 0.000 0.454 235 A N 0.953 123.708 122.820 -0.109 0.000 2.024 235 A HA -0.167 4.153 4.320 0.001 0.000 0.220 235 A C 1.900 179.442 177.584 -0.071 0.000 1.164 235 A CA 1.323 53.301 52.037 -0.099 0.000 0.643 235 A CB -0.217 18.699 19.000 -0.140 0.000 0.806 235 A HN 0.065 nan 8.150 nan 0.000 0.451 236 R N -1.865 118.598 120.500 -0.061 0.000 2.432 236 R HA 0.293 4.633 4.340 0.001 0.000 0.260 236 R C 1.015 177.312 176.300 -0.006 0.000 0.935 236 R CA 0.491 56.580 56.100 -0.018 0.000 1.080 236 R CB 0.226 30.540 30.300 0.024 0.000 1.155 236 R HN 0.600 nan 8.270 nan 0.000 0.531 237 G N 1.539 110.329 108.800 -0.017 0.000 2.198 237 G HA2 -0.314 3.646 3.960 0.001 0.000 0.260 237 G HA3 -0.314 3.646 3.960 0.001 0.000 0.260 237 G C 0.050 174.952 174.900 0.004 0.000 1.025 237 G CA 0.299 45.393 45.100 -0.009 0.000 0.769 237 G HN 0.193 nan 8.290 nan 0.000 0.507 238 M N -0.623 118.985 119.600 0.014 0.000 2.423 238 M HA 0.646 5.126 4.480 0.001 0.000 0.335 238 M C 0.527 176.845 176.300 0.030 0.000 1.177 238 M CA -0.977 54.346 55.300 0.038 0.000 1.038 238 M CB 1.335 33.989 32.600 0.090 0.000 1.641 238 M HN 0.034 nan 8.290 nan 0.000 0.455 239 L N 2.032 123.274 121.223 0.031 0.000 2.456 239 L HA 0.440 4.781 4.340 0.001 0.000 0.257 239 L C -0.623 176.277 176.870 0.050 0.000 1.162 239 L CA -0.169 54.683 54.840 0.020 0.000 0.808 239 L CB 0.639 42.700 42.059 0.003 0.000 1.136 239 L HN 0.522 nan 8.230 nan 0.000 0.466 240 L N 2.210 123.454 121.223 0.034 0.000 2.325 240 L HA 0.599 4.939 4.340 0.001 0.000 0.281 240 L C -0.970 175.925 176.870 0.042 0.000 1.004 240 L CA 0.109 54.987 54.840 0.064 0.000 0.823 240 L CB 0.851 42.928 42.059 0.030 0.000 1.236 240 L HN 0.347 nan 8.230 nan 0.000 0.415 241 I N 6.038 126.644 120.570 0.059 0.000 2.354 241 I HA 0.345 4.515 4.170 0.001 0.000 0.292 241 I C -0.682 175.466 176.117 0.051 0.000 0.989 241 I CA -0.552 60.759 61.300 0.018 0.000 1.188 241 I CB 1.587 39.574 38.000 -0.021 0.000 1.342 241 I HN 0.488 nan 8.210 nan 0.000 0.457 242 L N 5.543 126.791 121.223 0.042 0.000 2.287 242 L HA 0.319 4.660 4.340 0.001 0.000 0.287 242 L C -0.309 176.608 176.870 0.079 0.000 1.022 242 L CA -0.500 54.391 54.840 0.085 0.000 0.814 242 L CB 1.285 43.391 42.059 0.078 0.000 1.217 242 L HN 0.539 nan 8.230 nan 0.000 0.420 243 D N 4.190 124.673 120.400 0.139 0.000 2.411 243 D HA 0.065 4.706 4.640 0.001 0.000 0.225 243 D C 0.116 176.513 176.300 0.162 0.000 1.156 243 D CA 0.044 54.139 54.000 0.160 0.000 0.874 243 D CB 0.838 41.821 40.800 0.305 0.000 1.034 243 D HN 0.482 nan 8.370 nan 0.000 0.502 244 E N 2.687 122.959 120.200 0.120 0.000 2.511 244 E HA 0.168 4.518 4.350 0.001 0.000 0.214 244 E C 1.175 177.845 176.600 0.117 0.000 1.062 244 E CA -0.373 56.105 56.400 0.130 0.000 1.213 244 E CB 0.808 30.602 29.700 0.157 0.000 1.214 244 E HN 0.552 nan 8.360 nan 0.000 0.441 245 A N 0.852 123.739 122.820 0.111 0.000 1.917 245 A HA -0.275 4.045 4.320 0.001 0.000 0.219 245 A C 2.040 179.661 177.584 0.061 0.000 1.182 245 A CA 1.581 53.672 52.037 0.090 0.000 0.633 245 A CB -0.029 19.035 19.000 0.107 0.000 0.819 245 A HN 0.253 nan 8.150 nan 0.000 0.448 246 Q N -2.218 117.613 119.800 0.052 0.000 2.423 246 Q HA -0.014 4.326 4.340 0.001 0.000 0.231 246 Q C 2.061 178.073 176.000 0.019 0.000 0.894 246 Q CA 1.052 56.865 55.803 0.017 0.000 0.938 246 Q CB 0.183 28.914 28.738 -0.012 0.000 1.079 246 Q HN 0.824 nan 8.270 nan 0.000 0.552 247 T N -1.814 112.767 114.554 0.045 0.000 3.088 247 T HA 0.112 4.462 4.350 0.001 0.000 0.259 247 T C 1.040 175.777 174.700 0.063 0.000 1.122 247 T CA 0.348 62.472 62.100 0.042 0.000 1.095 247 T CB -0.048 68.855 68.868 0.058 0.000 0.930 247 T HN 0.149 nan 8.240 nan 0.000 0.508 248 G N 0.795 109.663 108.800 0.114 0.000 2.621 248 G HA2 0.418 4.378 3.960 0.001 0.000 0.271 248 G HA3 0.418 4.378 3.960 0.001 0.000 0.271 248 G C 0.187 175.099 174.900 0.020 0.000 1.236 248 G CA -0.134 45.083 45.100 0.195 0.000 0.958 248 G HN 0.803 nan 8.290 nan 0.000 0.512 249 V N -0.449 119.386 119.914 -0.131 0.000 5.487 249 V HA -0.203 3.918 4.120 0.001 0.000 0.302 249 V C 1.895 177.864 176.094 -0.210 0.000 0.511 249 V CA 1.686 63.856 62.300 -0.216 0.000 0.684 249 V CB -2.070 29.723 31.823 -0.049 0.000 0.458 249 V HN 2.773 nan 8.190 nan 0.000 1.195 250 G N 0.054 108.696 108.800 -0.264 0.000 2.253 250 G HA2 -0.432 3.529 3.960 0.001 0.000 0.251 250 G HA3 -0.432 3.529 3.960 0.001 0.000 0.251 250 G C 0.718 175.545 174.900 -0.122 0.000 0.998 250 G CA 1.082 46.070 45.100 -0.187 0.000 0.621 250 G HN 1.148 nan 8.290 nan 0.000 0.524 251 R N 1.350 121.791 120.500 -0.099 0.000 2.133 251 R HA -0.110 4.230 4.340 0.001 0.000 0.247 251 R C 2.513 178.769 176.300 -0.073 0.000 1.151 251 R CA 3.125 59.177 56.100 -0.080 0.000 0.971 251 R CB -0.893 29.369 30.300 -0.063 0.000 0.866 251 R HN 0.822 nan 8.270 nan 0.000 0.447 252 T N -3.831 110.686 114.554 -0.062 0.000 3.163 252 T HA 0.303 4.654 4.350 0.001 0.000 0.252 252 T C 1.107 175.776 174.700 -0.051 0.000 1.056 252 T CA 0.197 62.267 62.100 -0.050 0.000 0.947 252 T CB 0.343 69.195 68.868 -0.027 0.000 1.016 252 T HN 0.507 nan 8.240 nan 0.000 0.554 253 G N 1.109 109.869 108.800 -0.067 0.000 2.141 253 G HA2 -0.177 3.784 3.960 0.001 0.000 0.242 253 G HA3 -0.177 3.784 3.960 0.001 0.000 0.242 253 G C 0.143 175.006 174.900 -0.063 0.000 0.982 253 G CA 0.202 45.265 45.100 -0.062 0.000 0.662 253 G HN 1.307 nan 8.290 nan 0.000 0.527 254 T N -3.972 110.535 114.554 -0.079 0.000 2.896 254 T HA 0.634 4.984 4.350 0.001 0.000 0.297 254 T C 1.062 175.649 174.700 -0.187 0.000 1.108 254 T CA 0.120 62.166 62.100 -0.090 0.000 1.004 254 T CB 1.778 70.623 68.868 -0.039 0.000 1.159 254 T HN 0.444 nan 8.240 nan 0.000 0.499 255 M N 0.524 119.960 119.600 -0.273 0.000 2.080 255 M HA 0.249 4.729 4.480 0.001 0.000 0.260 255 M C -0.775 174.890 176.300 -1.059 0.000 1.068 255 M CA 1.435 56.368 55.300 -0.611 0.000 1.109 255 M CB -0.802 31.418 32.600 -0.632 0.000 1.342 255 M HN 0.642 nan 8.290 nan 0.000 0.405 256 F N -1.533 118.415 119.950 -0.004 0.000 2.547 256 F HA 0.588 5.116 4.527 0.001 0.000 0.316 256 F C 0.983 176.786 175.800 0.006 0.000 1.121 256 F CA -0.941 57.060 58.000 0.002 0.000 0.911 256 F CB 0.539 39.542 39.000 0.004 0.000 1.179 256 F HN 0.017 nan 8.300 nan 0.000 0.443 257 A N 1.162 124.084 122.820 0.172 0.000 1.908 257 A HA -0.226 4.094 4.320 0.001 0.000 0.218 257 A C 2.166 179.820 177.584 0.116 0.000 1.181 257 A CA 2.140 54.241 52.037 0.106 0.000 0.627 257 A CB -1.390 17.660 19.000 0.084 0.000 0.818 257 A HN 1.031 nan 8.150 nan 0.000 0.445 258 C N -1.163 118.225 119.300 0.146 0.000 2.409 258 C HA -0.125 4.335 4.460 0.001 0.000 0.284 258 C C 2.424 177.472 174.990 0.096 0.000 1.354 258 C CA 0.969 60.050 59.018 0.106 0.000 1.787 258 C CB -1.891 25.898 27.740 0.081 0.000 1.900 258 C HN 0.656 nan 8.230 nan 0.000 0.520 259 Q N 0.765 120.639 119.800 0.124 0.000 2.167 259 Q HA -0.159 4.181 4.340 0.001 0.000 0.202 259 Q C 2.553 178.590 176.000 0.061 0.000 0.970 259 Q CA 1.488 57.348 55.803 0.095 0.000 0.855 259 Q CB -0.291 28.512 28.738 0.108 0.000 0.911 259 Q HN 0.796 nan 8.270 nan 0.000 0.438 260 R N 1.060 121.594 120.500 0.057 0.000 2.081 260 R HA -0.166 4.175 4.340 0.001 0.000 0.235 260 R C 0.573 176.898 176.300 0.042 0.000 1.131 260 R CA 1.999 58.123 56.100 0.040 0.000 0.960 260 R CB 0.103 30.423 30.300 0.032 0.000 0.856 260 R HN 0.219 nan 8.270 nan 0.000 0.436 261 D N -1.072 119.358 120.400 0.050 0.000 2.340 261 D HA 0.143 4.783 4.640 0.001 0.000 0.220 261 D C 0.731 177.054 176.300 0.039 0.000 1.039 261 D CA 0.862 54.891 54.000 0.048 0.000 0.866 261 D CB 0.547 41.382 40.800 0.060 0.000 0.913 261 D HN 0.485 nan 8.370 nan 0.000 0.523 262 G N 0.541 109.364 108.800 0.039 0.000 2.283 262 G HA2 -0.266 3.694 3.960 0.001 0.000 0.280 262 G HA3 -0.266 3.694 3.960 0.001 0.000 0.280 262 G C 0.053 174.967 174.900 0.023 0.000 1.029 262 G CA 0.134 45.252 45.100 0.030 0.000 0.840 262 G HN 0.315 nan 8.290 nan 0.000 0.505 263 V N 0.613 120.544 119.914 0.028 0.000 2.384 263 V HA 0.564 4.684 4.120 0.001 0.000 0.287 263 V C 0.503 176.606 176.094 0.015 0.000 1.020 263 V CA -0.301 62.008 62.300 0.017 0.000 0.850 263 V CB 1.865 33.699 31.823 0.019 0.000 0.987 263 V HN 0.289 nan 8.190 nan 0.000 0.436 264 T N 8.205 122.758 114.554 -0.000 0.000 2.744 264 T HA 0.407 4.757 4.350 0.001 0.000 0.291 264 T C -2.211 172.479 174.700 -0.017 0.000 0.957 264 T CA -0.807 61.287 62.100 -0.010 0.000 1.002 264 T CB 1.493 70.351 68.868 -0.016 0.000 0.919 264 T HN 0.540 nan 8.240 nan 0.000 0.468 265 P HA 0.319 nan 4.420 nan 0.000 0.276 265 P C 0.140 177.420 177.300 -0.033 0.000 1.261 265 P CA -0.449 62.641 63.100 -0.017 0.000 0.800 265 P CB 1.210 32.905 31.700 -0.008 0.000 1.066 266 D N -0.194 120.188 120.400 -0.030 0.000 2.149 266 D HA 0.049 4.689 4.640 0.001 0.000 0.201 266 D C 0.743 177.009 176.300 -0.057 0.000 0.972 266 D CA 1.496 55.472 54.000 -0.041 0.000 0.835 266 D CB 0.253 41.034 40.800 -0.032 0.000 0.966 266 D HN 0.365 nan 8.370 nan 0.000 0.476 267 I N 0.435 120.973 120.570 -0.054 0.000 2.722 267 I HA 0.254 4.425 4.170 0.001 0.000 0.295 267 I C -1.223 174.853 176.117 -0.069 0.000 1.161 267 I CA -1.028 60.227 61.300 -0.075 0.000 1.032 267 I CB 3.010 40.963 38.000 -0.078 0.000 1.244 267 I HN -0.228 nan 8.210 nan 0.000 0.421 268 L N 5.288 126.454 121.223 -0.095 0.000 2.341 268 L HA 0.733 5.073 4.340 0.001 0.000 0.278 268 L C -0.158 176.656 176.870 -0.094 0.000 1.005 268 L CA 0.179 54.958 54.840 -0.102 0.000 0.818 268 L CB 1.998 43.947 42.059 -0.183 0.000 1.259 268 L HN 0.749 nan 8.230 nan 0.000 0.418 269 T N 3.265 117.790 114.554 -0.050 0.000 2.856 269 T HA 0.790 5.140 4.350 0.001 0.000 0.283 269 T C -0.559 174.142 174.700 0.003 0.000 1.008 269 T CA -0.666 61.416 62.100 -0.030 0.000 0.997 269 T CB 1.098 69.961 68.868 -0.009 0.000 0.992 269 T HN 0.573 nan 8.240 nan 0.000 0.454 270 L N 2.177 123.403 121.223 0.005 0.000 2.393 270 L HA 0.728 5.069 4.340 0.001 0.000 0.260 270 L C 0.447 177.341 176.870 0.040 0.000 1.002 270 L CA -0.831 54.032 54.840 0.038 0.000 0.818 270 L CB 2.524 44.607 42.059 0.040 0.000 1.369 270 L HN 1.062 nan 8.230 nan 0.000 0.412 271 S N -0.449 115.282 115.700 0.052 0.000 6.311 271 S HA 0.064 4.535 4.470 0.001 0.000 0.100 271 S C 1.051 175.672 174.600 0.034 0.000 1.196 271 S CA -0.449 57.776 58.200 0.042 0.000 1.375 271 S CB 0.118 63.349 63.200 0.051 0.000 1.972 271 S HN 0.455 nan 8.310 nan 0.000 0.578 272 K N 1.805 122.227 120.400 0.036 0.000 2.015 272 K HA -0.143 4.178 4.320 0.001 0.000 0.220 272 K C 2.426 179.029 176.600 0.004 0.000 1.055 272 K CA 2.576 58.875 56.287 0.019 0.000 0.951 272 K CB -0.827 31.681 32.500 0.015 0.000 0.725 272 K HN 0.778 nan 8.250 nan 0.000 0.449 273 T N -0.309 114.249 114.554 0.007 0.000 2.985 273 T HA -0.021 4.330 4.350 0.001 0.000 0.266 273 T C 1.807 176.504 174.700 -0.005 0.000 1.076 273 T CA 0.511 62.605 62.100 -0.010 0.000 1.135 273 T CB -0.130 68.731 68.868 -0.011 0.000 0.890 273 T HN 0.051 nan 8.240 nan 0.000 0.480 274 L N 2.301 123.536 121.223 0.020 0.000 2.017 274 L HA 0.282 4.623 4.340 0.001 0.000 0.208 274 L C 2.524 179.393 176.870 -0.003 0.000 1.073 274 L CA 2.094 56.946 54.840 0.021 0.000 0.745 274 L CB -1.156 40.927 42.059 0.040 0.000 0.894 274 L HN 0.389 nan 8.230 nan 0.000 0.432 275 G N -2.014 106.785 108.800 -0.003 0.000 2.712 275 G HA2 0.172 4.132 3.960 0.001 0.000 0.212 275 G HA3 0.172 4.132 3.960 0.001 0.000 0.212 275 G C 1.038 175.926 174.900 -0.020 0.000 1.142 275 G CA 0.442 45.535 45.100 -0.012 0.000 0.789 275 G HN 0.870 nan 8.290 nan 0.000 0.535 276 A N -1.412 121.392 122.820 -0.027 0.000 2.771 276 A HA 0.134 4.454 4.320 0.001 0.000 0.294 276 A C 1.912 179.473 177.584 -0.038 0.000 1.500 276 A CA 2.024 54.034 52.037 -0.044 0.000 0.829 276 A CB -1.450 17.513 19.000 -0.061 0.000 0.998 276 A HN 2.177 nan 8.150 nan 0.000 0.526 277 G N -3.157 105.632 108.800 -0.019 0.000 2.617 277 G HA2 0.105 4.065 3.960 0.001 0.000 0.197 277 G HA3 0.105 4.065 3.960 0.001 0.000 0.197 277 G C 0.080 174.987 174.900 0.011 0.000 1.017 277 G CA 0.226 45.325 45.100 -0.000 0.000 0.713 277 G HN 1.639 nan 8.290 nan 0.000 0.481 278 L N 3.258 124.482 121.223 0.002 0.000 2.399 278 L HA 0.713 5.053 4.340 0.001 0.000 0.265 278 L C -1.832 175.033 176.870 -0.008 0.000 1.089 278 L CA -2.115 52.724 54.840 -0.001 0.000 0.802 278 L CB 0.958 43.014 42.059 -0.005 0.000 1.180 278 L HN 0.000 nan 8.230 nan 0.000 0.454 279 P HA 0.237 nan 4.420 nan 0.000 0.266 279 P C -1.395 175.891 177.300 -0.024 0.000 1.586 279 P CA -0.199 62.887 63.100 -0.023 0.000 1.088 279 P CB 0.602 32.274 31.700 -0.047 0.000 1.584 280 L N 2.974 124.193 121.223 -0.007 0.000 2.431 280 L HA 0.846 5.187 4.340 0.001 0.000 0.266 280 L C -1.368 175.509 176.870 0.010 0.000 0.978 280 L CA -0.774 54.065 54.840 -0.001 0.000 0.822 280 L CB 2.180 44.233 42.059 -0.009 0.000 1.310 280 L HN 0.383 nan 8.230 nan 0.000 0.409 281 A N 3.153 125.982 122.820 0.016 0.000 2.552 281 A HA 1.099 5.419 4.320 0.001 0.000 0.288 281 A C -1.360 176.226 177.584 0.004 0.000 1.193 281 A CA -0.104 51.944 52.037 0.018 0.000 0.713 281 A CB 1.598 20.615 19.000 0.028 0.000 1.305 281 A HN 1.869 nan 8.150 nan 0.000 0.424 282 A N -0.660 122.154 122.820 -0.009 0.000 2.597 282 A HA 0.662 4.982 4.320 0.001 0.000 0.292 282 A C -1.130 176.419 177.584 -0.057 0.000 1.057 282 A CA 0.181 52.199 52.037 -0.033 0.000 0.674 282 A CB 0.391 19.375 19.000 -0.027 0.000 1.278 282 A HN 2.199 nan 8.150 nan 0.000 0.416 283 I N -1.198 119.323 120.570 -0.081 0.000 2.646 283 I HA 0.924 5.094 4.170 0.001 0.000 0.299 283 I C -1.309 174.747 176.117 -0.103 0.000 1.036 283 I CA -1.172 60.068 61.300 -0.100 0.000 1.074 283 I CB 2.193 40.117 38.000 -0.127 0.000 1.258 283 I HN 0.357 nan 8.210 nan 0.000 0.430 284 V N 3.696 123.539 119.914 -0.117 0.000 2.638 284 V HA 0.660 4.781 4.120 0.001 0.000 0.306 284 V C -0.115 175.908 176.094 -0.118 0.000 1.052 284 V CA -0.249 61.979 62.300 -0.120 0.000 0.885 284 V CB 1.636 33.371 31.823 -0.148 0.000 0.999 284 V HN 0.981 nan 8.190 nan 0.000 0.424 285 T N 1.713 116.202 114.554 -0.108 0.000 2.804 285 T HA 0.570 4.921 4.350 0.001 0.000 0.290 285 T C -0.066 174.583 174.700 -0.084 0.000 1.099 285 T CA 0.087 62.126 62.100 -0.101 0.000 1.011 285 T CB 1.978 70.774 68.868 -0.119 0.000 1.291 285 T HN 1.039 nan 8.240 nan 0.000 0.523 286 S N 1.024 116.680 115.700 -0.074 0.000 2.592 286 S HA 0.525 4.996 4.470 0.001 0.000 0.271 286 S C 1.737 176.302 174.600 -0.058 0.000 1.326 286 S CA -0.009 58.156 58.200 -0.059 0.000 1.024 286 S CB 0.785 63.955 63.200 -0.050 0.000 0.921 286 S HN 1.013 nan 8.310 nan 0.000 0.527 287 A N 2.611 125.403 122.820 -0.046 0.000 1.917 287 A HA 0.051 4.371 4.320 0.001 0.000 0.219 287 A C 2.400 179.963 177.584 -0.036 0.000 1.182 287 A CA 2.023 54.036 52.037 -0.041 0.000 0.633 287 A CB -1.675 17.306 19.000 -0.032 0.000 0.819 287 A HN 1.401 nan 8.150 nan 0.000 0.448 288 A N -0.410 122.391 122.820 -0.033 0.000 1.898 288 A HA -0.032 4.288 4.320 0.001 0.000 0.216 288 A C 2.130 179.695 177.584 -0.031 0.000 1.181 288 A CA 1.484 53.506 52.037 -0.026 0.000 0.620 288 A CB -0.528 18.458 19.000 -0.023 0.000 0.819 288 A HN 0.486 nan 8.150 nan 0.000 0.442 289 I N -0.658 119.884 120.570 -0.047 0.000 2.252 289 I HA -0.191 3.980 4.170 0.001 0.000 0.245 289 I C 2.610 178.680 176.117 -0.079 0.000 1.102 289 I CA 1.397 62.660 61.300 -0.062 0.000 1.385 289 I CB -0.169 37.785 38.000 -0.076 0.000 1.064 289 I HN 0.380 nan 8.210 nan 0.000 0.414 290 E N 0.938 121.088 120.200 -0.084 0.000 2.110 290 E HA -0.257 4.094 4.350 0.001 0.000 0.193 290 E C 1.970 178.555 176.600 -0.026 0.000 0.988 290 E CA 1.278 57.624 56.400 -0.091 0.000 0.804 290 E CB 0.009 29.660 29.700 -0.081 0.000 0.745 290 E HN 0.371 nan 8.360 nan 0.000 0.458 291 E N 0.546 120.740 120.200 -0.009 0.000 2.072 291 E HA -0.175 4.175 4.350 0.001 0.000 0.191 291 E C 2.165 178.804 176.600 0.065 0.000 0.985 291 E CA 0.758 57.180 56.400 0.036 0.000 0.801 291 E CB -0.128 29.583 29.700 0.019 0.000 0.750 291 E HN 0.015 nan 8.360 nan 0.000 0.452 292 R N 0.907 121.421 120.500 0.023 0.000 2.075 292 R HA -0.016 4.324 4.340 0.001 0.000 0.232 292 R C 2.063 178.380 176.300 0.028 0.000 1.126 292 R CA 1.648 57.761 56.100 0.022 0.000 0.963 292 R CB -0.918 29.382 30.300 0.001 0.000 0.858 292 R HN 0.121 nan 8.270 nan 0.000 0.435 293 A N -0.533 122.286 122.820 -0.002 0.000 1.883 293 A HA -0.247 4.073 4.320 0.001 0.000 0.217 293 A C 2.163 179.812 177.584 0.109 0.000 1.186 293 A CA 2.044 54.078 52.037 -0.005 0.000 0.624 293 A CB -1.009 17.848 19.000 -0.238 0.000 0.822 293 A HN 0.668 nan 8.150 nan 0.000 0.444 294 H N -0.323 118.764 119.070 0.028 0.000 2.387 294 H HA -0.063 4.494 4.556 0.001 0.000 0.299 294 H C 1.885 177.251 175.328 0.062 0.000 1.090 294 H CA 1.985 58.078 56.048 0.074 0.000 1.332 294 H CB -0.163 29.628 29.762 0.049 0.000 1.386 294 H HN 0.604 nan 8.280 nan 0.000 0.516 295 E N -0.246 119.960 120.200 0.010 0.000 2.204 295 E HA -0.091 4.259 4.350 0.001 0.000 0.195 295 E C 1.313 177.867 176.600 -0.076 0.000 0.990 295 E CA 0.934 57.301 56.400 -0.056 0.000 0.821 295 E CB 0.086 29.797 29.700 0.020 0.000 0.750 295 E HN 0.519 nan 8.360 nan 0.000 0.477 296 L N -0.700 120.508 121.223 -0.025 0.000 2.629 296 L HA 0.228 4.568 4.340 0.001 0.000 0.230 296 L C 1.021 177.895 176.870 0.008 0.000 1.151 296 L CA 0.152 54.993 54.840 0.002 0.000 0.924 296 L CB 0.374 42.455 42.059 0.037 0.000 1.137 296 L HN 0.209 nan 8.230 nan 0.000 0.457 297 G N -0.732 108.044 108.800 -0.040 0.000 2.149 297 G HA2 -0.367 3.594 3.960 0.001 0.000 0.235 297 G HA3 -0.367 3.594 3.960 0.001 0.000 0.235 297 G C 0.120 175.068 174.900 0.080 0.000 1.018 297 G CA -0.390 44.692 45.100 -0.031 0.000 0.728 297 G HN 0.295 nan 8.290 nan 0.000 0.508 298 Y N -0.331 119.973 120.300 0.006 0.000 2.944 298 Y HA 0.284 4.834 4.550 0.001 0.000 0.340 298 Y C 0.394 176.353 175.900 0.098 0.000 1.275 298 Y CA 0.521 58.662 58.100 0.068 0.000 1.590 298 Y CB 0.284 38.800 38.460 0.095 0.000 1.218 298 Y HN 0.577 nan 8.280 nan 0.000 0.576 299 L N 8.319 129.265 121.223 -0.462 0.000 2.362 299 L HA 0.536 4.877 4.340 0.001 0.000 0.275 299 L C -1.797 174.793 176.870 -0.467 0.000 0.998 299 L CA -0.687 53.939 54.840 -0.356 0.000 0.820 299 L CB 1.278 43.225 42.059 -0.186 0.000 1.270 299 L HN 0.632 nan 8.230 nan 0.000 0.415 300 F N 5.559 125.278 119.950 -0.385 0.000 2.753 300 F HA 0.299 4.826 4.527 0.001 0.000 0.379 300 F C -1.787 173.986 175.800 -0.044 0.000 1.419 300 F CA -0.438 57.417 58.000 -0.240 0.000 1.113 300 F CB 0.297 39.138 39.000 -0.264 0.000 2.071 300 F HN 0.495 nan 8.300 nan 0.000 0.563 301 Y N 2.964 123.132 120.300 -0.220 0.000 2.367 301 Y HA 0.521 5.071 4.550 0.001 0.000 0.342 301 Y C 0.427 176.219 175.900 -0.179 0.000 0.979 301 Y CA 0.024 58.043 58.100 -0.136 0.000 1.161 301 Y CB 0.713 39.085 38.460 -0.148 0.000 1.155 301 Y HN 0.434 nan 8.280 nan 0.000 0.503 302 T N -0.235 114.124 114.554 -0.324 0.000 2.807 302 T HA 0.302 4.652 4.350 0.001 0.000 0.277 302 T C 0.820 175.321 174.700 -0.332 0.000 1.006 302 T CA -0.302 61.657 62.100 -0.235 0.000 1.006 302 T CB 1.430 70.249 68.868 -0.083 0.000 1.274 302 T HN 0.430 nan 8.240 nan 0.000 0.569 303 T N 0.257 114.660 114.554 -0.250 0.000 2.770 303 T HA -0.019 4.332 4.350 0.001 0.000 0.263 303 T C 1.237 175.718 174.700 -0.365 0.000 1.039 303 T CA 1.141 63.024 62.100 -0.362 0.000 1.142 303 T CB -0.412 68.110 68.868 -0.577 0.000 0.868 303 T HN 0.675 nan 8.240 nan 0.000 0.435 304 H N -0.114 118.955 119.070 -0.002 0.000 2.586 304 H HA 0.389 4.946 4.556 0.001 0.000 0.273 304 H C 0.717 176.030 175.328 -0.025 0.000 0.997 304 H CA -0.320 55.748 56.048 0.033 0.000 1.177 304 H CB -0.326 29.467 29.762 0.052 0.000 1.471 304 H HN 0.157 nan 8.280 nan 0.000 0.538 305 V N 1.892 121.802 119.914 -0.007 0.000 2.694 305 V HA -0.102 4.019 4.120 0.001 0.000 0.306 305 V C 0.521 176.576 176.094 -0.065 0.000 1.054 305 V CA 0.798 63.085 62.300 -0.022 0.000 1.161 305 V CB 0.453 32.234 31.823 -0.070 0.000 0.916 305 V HN 0.666 nan 8.190 nan 0.000 0.490 306 S N 2.944 118.627 115.700 -0.029 0.000 3.561 306 S HA -0.166 4.304 4.470 0.001 0.000 0.318 306 S C -0.111 174.465 174.600 -0.040 0.000 1.181 306 S CA 1.059 59.234 58.200 -0.041 0.000 0.916 306 S CB -1.387 61.774 63.200 -0.065 0.000 0.966 306 S HN 1.000 nan 8.310 nan 0.000 0.550 307 D N 1.169 121.569 120.400 -0.000 0.000 2.304 307 D HA 0.301 4.941 4.640 0.001 0.000 0.250 307 D C -0.776 175.529 176.300 0.008 0.000 1.107 307 D CA -1.883 52.130 54.000 0.022 0.000 0.885 307 D CB 0.942 41.828 40.800 0.144 0.000 1.192 307 D HN 0.094 nan 8.370 nan 0.000 0.436 308 P HA -0.150 nan 4.420 nan 0.000 0.215 308 P C 1.609 178.859 177.300 -0.083 0.000 1.157 308 P CA 0.397 63.487 63.100 -0.016 0.000 0.863 308 P CB 0.344 32.090 31.700 0.076 0.000 0.787 309 L N 1.213 122.448 121.223 0.019 0.000 1.989 309 L HA -0.024 4.317 4.340 0.001 0.000 0.211 309 L C -0.827 175.999 176.870 -0.073 0.000 1.071 309 L CA 2.654 57.496 54.840 0.003 0.000 0.749 309 L CB -2.742 39.386 42.059 0.114 0.000 0.890 309 L HN -0.040 nan 8.230 nan 0.000 0.431 310 P HA -0.104 nan 4.420 nan 0.000 0.216 310 P C 1.686 178.942 177.300 -0.074 0.000 1.153 310 P CA 2.154 65.230 63.100 -0.040 0.000 0.848 310 P CB -0.230 31.460 31.700 -0.016 0.000 0.787 311 A N 0.165 122.932 122.820 -0.087 0.000 1.877 311 A HA -0.146 4.175 4.320 0.001 0.000 0.216 311 A C 2.344 179.828 177.584 -0.167 0.000 1.186 311 A CA 2.227 54.203 52.037 -0.101 0.000 0.620 311 A CB -1.663 17.284 19.000 -0.090 0.000 0.822 311 A HN 0.186 nan 8.150 nan 0.000 0.443 312 A N -0.613 122.027 122.820 -0.301 0.000 1.908 312 A HA -0.040 4.281 4.320 0.001 0.000 0.218 312 A C 2.253 179.689 177.584 -0.247 0.000 1.181 312 A CA 1.929 53.684 52.037 -0.469 0.000 0.627 312 A CB -0.944 17.308 19.000 -1.248 0.000 0.818 312 A HN 0.398 nan 8.150 nan 0.000 0.445 313 V N -0.237 119.578 119.914 -0.165 0.000 2.270 313 V HA -0.168 3.953 4.120 0.001 0.000 0.245 313 V C 2.845 178.899 176.094 -0.068 0.000 1.043 313 V CA 2.024 64.276 62.300 -0.080 0.000 1.014 313 V CB -1.449 30.349 31.823 -0.042 0.000 0.645 313 V HN 0.610 nan 8.190 nan 0.000 0.447 314 G N -0.320 108.442 108.800 -0.064 0.000 2.422 314 G HA2 -0.256 3.705 3.960 0.001 0.000 0.218 314 G HA3 -0.256 3.705 3.960 0.001 0.000 0.218 314 G C 1.580 176.452 174.900 -0.046 0.000 1.146 314 G CA 1.086 46.159 45.100 -0.045 0.000 0.769 314 G HN 0.420 nan 8.290 nan 0.000 0.547 315 L N 0.700 121.886 121.223 -0.060 0.000 2.046 315 L HA 0.041 4.382 4.340 0.001 0.000 0.208 315 L C 2.696 179.541 176.870 -0.041 0.000 1.077 315 L CA 2.013 56.825 54.840 -0.047 0.000 0.747 315 L CB -0.484 41.539 42.059 -0.060 0.000 0.896 315 L HN 0.216 nan 8.230 nan 0.000 0.432 316 R N -0.878 119.593 120.500 -0.049 0.000 2.120 316 R HA -0.087 4.253 4.340 0.001 0.000 0.234 316 R C 1.997 178.255 176.300 -0.069 0.000 1.123 316 R CA 1.879 57.955 56.100 -0.042 0.000 0.975 316 R CB -0.979 29.305 30.300 -0.027 0.000 0.866 316 R HN 0.308 nan 8.270 nan 0.000 0.446 317 V N 0.681 120.551 119.914 -0.073 0.000 2.295 317 V HA -0.223 3.897 4.120 0.001 0.000 0.246 317 V C 2.313 178.359 176.094 -0.079 0.000 1.049 317 V CA 1.914 64.159 62.300 -0.093 0.000 1.024 317 V CB -0.439 31.342 31.823 -0.071 0.000 0.648 317 V HN 0.296 nan 8.190 nan 0.000 0.447 318 L N -0.394 120.799 121.223 -0.050 0.000 2.046 318 L HA -0.175 4.166 4.340 0.001 0.000 0.208 318 L C 2.400 179.245 176.870 -0.042 0.000 1.077 318 L CA 1.495 56.312 54.840 -0.039 0.000 0.747 318 L CB -0.800 41.253 42.059 -0.010 0.000 0.896 318 L HN 0.337 nan 8.230 nan 0.000 0.432 319 D N -0.013 120.365 120.400 -0.037 0.000 2.087 319 D HA -0.169 4.471 4.640 0.001 0.000 0.192 319 D C 2.323 178.600 176.300 -0.039 0.000 0.993 319 D CA 1.303 55.286 54.000 -0.028 0.000 0.828 319 D CB -0.339 40.450 40.800 -0.018 0.000 0.968 319 D HN 0.053 nan 8.370 nan 0.000 0.448 320 V N 0.676 120.552 119.914 -0.064 0.000 2.287 320 V HA -0.219 3.901 4.120 0.001 0.000 0.248 320 V C 2.683 178.738 176.094 -0.065 0.000 1.053 320 V CA 1.095 63.350 62.300 -0.075 0.000 1.027 320 V CB -0.514 31.202 31.823 -0.178 0.000 0.646 320 V HN 0.058 nan 8.190 nan 0.000 0.447 321 V N -0.673 119.193 119.914 -0.079 0.000 2.332 321 V HA -0.356 3.764 4.120 0.001 0.000 0.248 321 V C 2.431 178.489 176.094 -0.060 0.000 1.055 321 V CA 2.225 64.480 62.300 -0.075 0.000 1.038 321 V CB -0.640 31.128 31.823 -0.091 0.000 0.651 321 V HN 0.580 nan 8.190 nan 0.000 0.450 322 Q N -0.431 119.338 119.800 -0.051 0.000 1.990 322 Q HA -0.239 4.102 4.340 0.001 0.000 0.200 322 Q C 2.505 178.489 176.000 -0.027 0.000 0.980 322 Q CA 2.082 57.861 55.803 -0.040 0.000 0.832 322 Q CB -0.251 28.470 28.738 -0.029 0.000 0.897 322 Q HN 0.633 nan 8.270 nan 0.000 0.427 323 R N 0.562 121.050 120.500 -0.019 0.000 2.096 323 R HA -0.144 4.197 4.340 0.001 0.000 0.235 323 R C 0.483 176.782 176.300 -0.003 0.000 1.127 323 R CA 1.895 57.990 56.100 -0.007 0.000 0.968 323 R CB 0.020 30.320 30.300 -0.000 0.000 0.861 323 R HN 0.130 nan 8.270 nan 0.000 0.440 324 D N 0.002 120.399 120.400 -0.005 0.000 2.325 324 D HA 0.137 4.777 4.640 0.001 0.000 0.225 324 D C 0.321 176.616 176.300 -0.008 0.000 1.096 324 D CA 0.855 54.857 54.000 0.003 0.000 0.844 324 D CB 0.450 41.262 40.800 0.020 0.000 0.925 324 D HN 0.520 nan 8.370 nan 0.000 0.513 325 G N 1.459 110.248 108.800 -0.019 0.000 2.395 325 G HA2 -0.310 3.650 3.960 0.001 0.000 0.300 325 G HA3 -0.310 3.650 3.960 0.001 0.000 0.300 325 G C 1.030 175.911 174.900 -0.032 0.000 0.998 325 G CA 0.249 45.333 45.100 -0.026 0.000 1.046 325 G HN 0.430 nan 8.290 nan 0.000 0.513 326 L N -0.905 120.294 121.223 -0.041 0.000 2.291 326 L HA -0.062 4.279 4.340 0.001 0.000 0.214 326 L C 2.827 179.660 176.870 -0.062 0.000 1.120 326 L CA 0.742 55.554 54.840 -0.047 0.000 0.799 326 L CB -0.407 41.621 42.059 -0.052 0.000 0.925 326 L HN 0.327 nan 8.230 nan 0.000 0.446 327 V N 0.396 120.265 119.914 -0.075 0.000 2.407 327 V HA -0.279 3.842 4.120 0.001 0.000 0.248 327 V C 2.752 178.808 176.094 -0.063 0.000 1.055 327 V CA 1.886 64.135 62.300 -0.085 0.000 1.049 327 V CB -0.785 30.975 31.823 -0.104 0.000 0.662 327 V HN 0.491 nan 8.190 nan 0.000 0.455 328 A N -0.097 122.693 122.820 -0.049 0.000 1.929 328 A HA -0.134 4.187 4.320 0.001 0.000 0.216 328 A C 2.348 179.911 177.584 -0.036 0.000 1.176 328 A CA 1.108 53.122 52.037 -0.038 0.000 0.628 328 A CB -0.418 18.565 19.000 -0.028 0.000 0.816 328 A HN 0.481 nan 8.150 nan 0.000 0.444 329 R N -0.208 120.270 120.500 -0.036 0.000 2.127 329 R HA -0.135 4.205 4.340 0.001 0.000 0.238 329 R C 2.310 178.584 176.300 -0.044 0.000 1.134 329 R CA 1.159 57.239 56.100 -0.033 0.000 0.975 329 R CB -0.496 29.788 30.300 -0.028 0.000 0.865 329 R HN 0.516 nan 8.270 nan 0.000 0.447 330 A N 1.583 124.370 122.820 -0.055 0.000 1.930 330 A HA -0.142 4.178 4.320 0.001 0.000 0.217 330 A C 1.788 179.338 177.584 -0.058 0.000 1.175 330 A CA 1.212 53.209 52.037 -0.066 0.000 0.627 330 A CB -0.283 18.672 19.000 -0.075 0.000 0.815 330 A HN 0.250 nan 8.150 nan 0.000 0.443 331 N N -0.046 118.626 118.700 -0.047 0.000 2.216 331 N HA -0.074 4.667 4.740 0.001 0.000 0.183 331 N C 1.763 177.254 175.510 -0.032 0.000 1.017 331 N CA 1.455 54.482 53.050 -0.038 0.000 0.861 331 N CB -0.253 38.215 38.487 -0.032 0.000 0.986 331 N HN 0.276 nan 8.380 nan 0.000 0.428 332 V N 1.953 121.850 119.914 -0.029 0.000 2.255 332 V HA -0.153 3.968 4.120 0.001 0.000 0.243 332 V C 2.451 178.530 176.094 -0.024 0.000 1.038 332 V CA 1.200 63.487 62.300 -0.021 0.000 1.008 332 V CB -0.340 31.473 31.823 -0.017 0.000 0.645 332 V HN 0.198 nan 8.190 nan 0.000 0.449 333 M N 0.528 120.109 119.600 -0.032 0.000 2.149 333 M HA -0.105 4.376 4.480 0.001 0.000 0.261 333 M C 2.320 178.588 176.300 -0.054 0.000 1.064 333 M CA 2.066 57.342 55.300 -0.039 0.000 1.102 333 M CB -1.969 30.599 32.600 -0.053 0.000 1.369 333 M HN 0.460 nan 8.290 nan 0.000 0.408 334 G N -0.057 108.706 108.800 -0.061 0.000 2.440 334 G HA2 -0.277 3.683 3.960 0.001 0.000 0.218 334 G HA3 -0.277 3.683 3.960 0.001 0.000 0.218 334 G C 1.276 176.148 174.900 -0.046 0.000 1.154 334 G CA 1.487 46.547 45.100 -0.067 0.000 0.767 334 G HN 0.493 nan 8.290 nan 0.000 0.552 335 D N -0.487 119.893 120.400 -0.032 0.000 2.183 335 D HA -0.027 4.614 4.640 0.001 0.000 0.203 335 D C 2.399 178.691 176.300 -0.013 0.000 0.969 335 D CA 0.566 54.554 54.000 -0.020 0.000 0.842 335 D CB -0.105 40.686 40.800 -0.014 0.000 0.957 335 D HN 0.257 nan 8.370 nan 0.000 0.484 336 R N -0.359 120.133 120.500 -0.013 0.000 2.073 336 R HA -0.126 4.215 4.340 0.001 0.000 0.234 336 R C 2.194 178.496 176.300 0.003 0.000 1.134 336 R CA 1.089 57.188 56.100 -0.001 0.000 0.952 336 R CB -0.387 29.914 30.300 0.003 0.000 0.850 336 R HN 0.258 nan 8.270 nan 0.000 0.433 337 L N 1.213 122.430 121.223 -0.011 0.000 2.056 337 L HA -0.140 4.200 4.340 0.001 0.000 0.207 337 L C 2.505 179.374 176.870 -0.002 0.000 1.078 337 L CA 1.760 56.597 54.840 -0.005 0.000 0.749 337 L CB -0.560 41.462 42.059 -0.062 0.000 0.901 337 L HN 0.111 nan 8.230 nan 0.000 0.433 338 R N -0.620 119.871 120.500 -0.015 0.000 2.096 338 R HA -0.195 4.145 4.340 0.001 0.000 0.240 338 R C 2.466 178.769 176.300 0.005 0.000 1.139 338 R CA 1.829 57.924 56.100 -0.008 0.000 0.952 338 R CB -0.223 30.069 30.300 -0.012 0.000 0.854 338 R HN 0.359 nan 8.270 nan 0.000 0.436 339 R N -0.681 119.823 120.500 0.006 0.000 2.083 339 R HA -0.126 4.214 4.340 0.001 0.000 0.237 339 R C 2.377 178.688 176.300 0.020 0.000 1.137 339 R CA 1.524 57.631 56.100 0.012 0.000 0.951 339 R CB -0.671 29.635 30.300 0.010 0.000 0.851 339 R HN 0.441 nan 8.270 nan 0.000 0.434 340 G N 1.283 110.099 108.800 0.026 0.000 2.446 340 G HA2 -0.247 3.713 3.960 0.001 0.000 0.217 340 G HA3 -0.247 3.713 3.960 0.001 0.000 0.217 340 G C 1.488 176.414 174.900 0.044 0.000 1.168 340 G CA 0.550 45.672 45.100 0.037 0.000 0.771 340 G HN 0.144 nan 8.290 nan 0.000 0.551 341 L N -0.175 121.072 121.223 0.039 0.000 2.042 341 L HA -0.055 4.285 4.340 0.001 0.000 0.210 341 L C 2.906 179.803 176.870 0.045 0.000 1.076 341 L CA 0.707 55.572 54.840 0.041 0.000 0.749 341 L CB -0.384 41.690 42.059 0.026 0.000 0.893 341 L HN 0.202 nan 8.230 nan 0.000 0.432 342 L N -0.808 120.434 121.223 0.032 0.000 2.217 342 L HA -0.174 4.167 4.340 0.001 0.000 0.211 342 L C 2.108 178.998 176.870 0.034 0.000 1.107 342 L CA 0.670 55.527 54.840 0.029 0.000 0.783 342 L CB -0.491 41.579 42.059 0.018 0.000 0.919 342 L HN 0.233 nan 8.230 nan 0.000 0.442 343 D N 0.217 120.637 120.400 0.033 0.000 2.097 343 D HA -0.141 4.500 4.640 0.001 0.000 0.197 343 D C 2.401 178.726 176.300 0.041 0.000 0.984 343 D CA 1.114 55.130 54.000 0.025 0.000 0.826 343 D CB -0.138 40.676 40.800 0.022 0.000 0.973 343 D HN 0.218 nan 8.370 nan 0.000 0.460 344 L N 0.362 121.640 121.223 0.092 0.000 2.012 344 L HA -0.179 4.162 4.340 0.001 0.000 0.210 344 L C 2.566 179.569 176.870 0.222 0.000 1.073 344 L CA 1.009 55.973 54.840 0.207 0.000 0.748 344 L CB -0.373 41.821 42.059 0.224 0.000 0.891 344 L HN 0.088 nan 8.230 nan 0.000 0.431 345 M N -0.374 119.310 119.600 0.140 0.000 2.279 345 M HA -0.240 4.240 4.480 0.001 0.000 0.264 345 M C 2.002 178.346 176.300 0.075 0.000 1.062 345 M CA 1.690 57.063 55.300 0.122 0.000 1.099 345 M CB -0.014 32.627 32.600 0.068 0.000 1.394 345 M HN 0.187 nan 8.290 nan 0.000 0.426 346 E N -0.289 119.930 120.200 0.031 0.000 2.106 346 E HA -0.211 4.139 4.350 0.001 0.000 0.192 346 E C 2.053 178.609 176.600 -0.074 0.000 0.984 346 E CA 1.005 57.398 56.400 -0.013 0.000 0.806 346 E CB 0.102 29.788 29.700 -0.023 0.000 0.750 346 E HN 0.467 nan 8.360 nan 0.000 0.458 347 R N -0.645 119.768 120.500 -0.145 0.000 2.062 347 R HA 0.006 4.347 4.340 0.001 0.000 0.226 347 R C -0.214 175.777 176.300 -0.515 0.000 1.125 347 R CA 0.768 56.616 56.100 -0.420 0.000 0.966 347 R CB 0.215 30.113 30.300 -0.671 0.000 0.861 347 R HN -0.070 nan 8.270 nan 0.000 0.433 348 F N 0.554 120.508 119.950 0.006 0.000 2.426 348 F HA 0.180 4.707 4.527 0.001 0.000 0.348 348 F C 0.896 176.706 175.800 0.017 0.000 1.124 348 F CA -0.993 57.014 58.000 0.011 0.000 1.008 348 F CB 1.541 40.548 39.000 0.012 0.000 1.139 348 F HN -0.000 nan 8.300 nan 0.000 0.452 349 D N 2.004 122.525 120.400 0.203 0.000 2.263 349 D HA -0.180 4.461 4.640 0.001 0.000 0.208 349 D C 1.999 178.376 176.300 0.127 0.000 0.971 349 D CA 1.353 55.430 54.000 0.129 0.000 0.867 349 D CB 0.257 41.111 40.800 0.089 0.000 0.929 349 D HN 0.694 nan 8.370 nan 0.000 0.492 350 C N 0.035 119.423 119.300 0.147 0.000 2.437 350 C HA 0.204 4.665 4.460 0.001 0.000 0.283 350 C C 1.552 176.596 174.990 0.091 0.000 1.424 350 C CA -0.695 58.383 59.018 0.099 0.000 1.782 350 C CB -1.519 26.262 27.740 0.069 0.000 1.833 350 C HN 0.149 nan 8.230 nan 0.000 0.532 351 I N 2.576 123.212 120.570 0.110 0.000 2.329 351 I HA 0.239 4.410 4.170 0.001 0.000 0.295 351 I C 1.624 177.778 176.117 0.062 0.000 1.109 351 I CA 0.354 61.705 61.300 0.084 0.000 1.297 351 I CB 0.704 38.766 38.000 0.103 0.000 1.433 351 I HN 0.446 nan 8.210 nan 0.000 0.509 352 G N 4.353 113.176 108.800 0.039 0.000 2.539 352 G HA2 -0.044 3.916 3.960 0.001 0.000 0.215 352 G HA3 -0.044 3.916 3.960 0.001 0.000 0.215 352 G C 0.046 174.857 174.900 -0.147 0.000 1.141 352 G CA 0.321 45.446 45.100 0.042 0.000 0.806 352 G HN 0.580 nan 8.290 nan 0.000 0.533 353 D N -1.548 118.697 120.400 -0.259 0.000 2.769 353 D HA 0.419 5.059 4.640 0.001 0.000 0.219 353 D C -1.401 174.784 176.300 -0.191 0.000 1.245 353 D CA -0.407 53.368 54.000 -0.376 0.000 0.801 353 D CB 2.162 42.342 40.800 -1.032 0.000 1.598 353 D HN -0.097 nan 8.370 nan 0.000 0.485 354 V N 3.927 123.770 119.914 -0.119 0.000 2.443 354 V HA 0.691 4.811 4.120 0.001 0.000 0.293 354 V C -0.065 176.001 176.094 -0.047 0.000 1.021 354 V CA -0.533 61.734 62.300 -0.055 0.000 0.848 354 V CB 1.225 33.035 31.823 -0.021 0.000 0.998 354 V HN 0.662 nan 8.190 nan 0.000 0.424 355 R N 3.340 123.816 120.500 -0.041 0.000 2.846 355 R HA 0.981 5.321 4.340 0.001 0.000 0.263 355 R C 0.111 176.393 176.300 -0.031 0.000 1.080 355 R CA -0.173 55.910 56.100 -0.028 0.000 0.961 355 R CB 1.924 32.213 30.300 -0.018 0.000 1.231 355 R HN 1.257 nan 8.270 nan 0.000 0.465 356 G N 0.160 108.941 108.800 -0.032 0.000 2.396 356 G HA2 0.150 4.111 3.960 0.001 0.000 0.254 356 G HA3 0.150 4.111 3.960 0.001 0.000 0.254 356 G C -1.602 173.278 174.900 -0.034 0.000 1.248 356 G CA -0.205 44.870 45.100 -0.041 0.000 1.033 356 G HN 0.806 nan 8.290 nan 0.000 0.502 357 R N -0.792 119.685 120.500 -0.039 0.000 2.629 357 R HA 0.667 5.007 4.340 0.001 0.000 0.266 357 R C 0.979 177.251 176.300 -0.046 0.000 1.051 357 R CA 1.487 57.567 56.100 -0.034 0.000 0.895 357 R CB 1.037 31.322 30.300 -0.026 0.000 1.246 357 R HN 2.779 nan 8.270 nan 0.000 0.459 358 G N 2.323 111.096 108.800 -0.045 0.000 2.611 358 G HA2 -0.331 3.629 3.960 0.001 0.000 0.301 358 G HA3 -0.331 3.629 3.960 0.001 0.000 0.301 358 G C -0.125 174.728 174.900 -0.077 0.000 1.233 358 G CA 0.341 45.406 45.100 -0.058 0.000 0.993 358 G HN 0.559 nan 8.290 nan 0.000 0.553 359 L N 0.168 121.336 121.223 -0.092 0.000 2.978 359 L HA 0.490 4.830 4.340 0.001 0.000 0.239 359 L C 0.026 176.821 176.870 -0.125 0.000 1.293 359 L CA -0.223 54.541 54.840 -0.127 0.000 1.085 359 L CB 0.225 42.197 42.059 -0.146 0.000 1.432 359 L HN 0.369 nan 8.230 nan 0.000 0.512 360 L N 1.148 122.313 121.223 -0.096 0.000 2.454 360 L HA 0.514 4.855 4.340 0.001 0.000 0.258 360 L C -1.034 175.792 176.870 -0.074 0.000 1.025 360 L CA -0.007 54.782 54.840 -0.085 0.000 0.901 360 L CB 0.948 42.966 42.059 -0.067 0.000 1.210 360 L HN -0.000 nan 8.230 nan 0.000 0.457 361 L N 2.733 123.910 121.223 -0.077 0.000 2.333 361 L HA 0.955 5.295 4.340 0.001 0.000 0.269 361 L C 0.316 177.170 176.870 -0.027 0.000 1.010 361 L CA -0.759 54.049 54.840 -0.054 0.000 0.818 361 L CB 2.284 44.307 42.059 -0.060 0.000 1.306 361 L HN 0.626 nan 8.230 nan 0.000 0.430 362 G N 0.637 109.428 108.800 -0.016 0.000 2.591 362 G HA2 0.642 4.602 3.960 0.001 0.000 0.306 362 G HA3 0.642 4.602 3.960 0.001 0.000 0.306 362 G C -1.654 173.262 174.900 0.027 0.000 1.334 362 G CA -0.357 44.749 45.100 0.010 0.000 0.981 362 G HN 0.261 nan 8.290 nan 0.000 0.491 363 V N 1.260 121.229 119.914 0.092 0.000 2.443 363 V HA 0.383 4.503 4.120 0.001 0.000 0.293 363 V C -0.190 175.961 176.094 0.095 0.000 1.021 363 V CA -0.797 61.559 62.300 0.092 0.000 0.848 363 V CB 1.498 33.413 31.823 0.152 0.000 0.998 363 V HN 0.871 nan 8.190 nan 0.000 0.424 364 E N 4.891 125.092 120.200 0.001 0.000 2.167 364 E HA 0.398 4.748 4.350 0.001 0.000 0.284 364 E C -0.832 175.790 176.600 0.037 0.000 1.016 364 E CA -0.671 55.731 56.400 0.004 0.000 0.817 364 E CB 0.866 30.544 29.700 -0.037 0.000 1.080 364 E HN 0.485 nan 8.360 nan 0.000 0.397 365 I N 6.035 126.638 120.570 0.055 0.000 2.342 365 I HA 0.176 4.347 4.170 0.001 0.000 0.291 365 I C 0.274 176.432 176.117 0.068 0.000 1.010 365 I CA -0.427 60.912 61.300 0.065 0.000 1.308 365 I CB 0.483 38.516 38.000 0.054 0.000 1.400 365 I HN 0.351 nan 8.210 nan 0.000 0.488 366 V N 4.229 124.190 119.914 0.078 0.000 3.102 366 V HA 0.574 4.694 4.120 0.001 0.000 0.312 366 V C 0.596 176.727 176.094 0.062 0.000 1.135 366 V CA -0.892 61.456 62.300 0.080 0.000 1.022 366 V CB 2.752 34.643 31.823 0.113 0.000 1.056 366 V HN 0.621 nan 8.190 nan 0.000 0.436 367 K N -0.162 120.267 120.400 0.049 0.000 2.211 367 K HA 0.184 4.504 4.320 0.001 0.000 0.201 367 K C -0.112 176.512 176.600 0.041 0.000 1.052 367 K CA 0.936 57.246 56.287 0.039 0.000 0.973 367 K CB 0.288 32.804 32.500 0.027 0.000 0.766 367 K HN 0.913 nan 8.250 nan 0.000 0.466 368 D N -0.229 120.195 120.400 0.041 0.000 2.763 368 D HA 0.139 4.779 4.640 0.001 0.000 0.235 368 D C 0.296 176.622 176.300 0.043 0.000 1.334 368 D CA -0.154 53.868 54.000 0.036 0.000 0.950 368 D CB 1.129 41.941 40.800 0.019 0.000 1.433 368 D HN -0.134 nan 8.370 nan 0.000 0.580 369 R N 1.827 122.359 120.500 0.054 0.000 2.159 369 R HA -0.104 4.236 4.340 0.001 0.000 0.237 369 R C 1.766 178.086 176.300 0.033 0.000 1.131 369 R CA 1.283 57.422 56.100 0.065 0.000 0.982 369 R CB 0.264 30.608 30.300 0.073 0.000 0.868 369 R HN 0.330 nan 8.270 nan 0.000 0.453 370 R N -0.296 120.213 120.500 0.015 0.000 2.090 370 R HA -0.042 4.299 4.340 0.001 0.000 0.228 370 R C 2.374 178.658 176.300 -0.027 0.000 1.110 370 R CA 1.778 57.874 56.100 -0.005 0.000 0.973 370 R CB -0.377 29.920 30.300 -0.004 0.000 0.869 370 R HN 0.313 nan 8.270 nan 0.000 0.440 371 T N -1.942 112.599 114.554 -0.021 0.000 3.044 371 T HA 0.140 4.491 4.350 0.001 0.000 0.255 371 T C 0.653 175.319 174.700 -0.057 0.000 1.073 371 T CA -0.017 62.060 62.100 -0.038 0.000 1.125 371 T CB 0.079 68.934 68.868 -0.022 0.000 0.908 371 T HN 0.131 nan 8.240 nan 0.000 0.480 372 K N 1.140 121.523 120.400 -0.029 0.000 3.129 372 K HA -0.158 4.162 4.320 0.001 0.000 0.273 372 K C -0.199 176.394 176.600 -0.011 0.000 1.123 372 K CA 0.555 56.829 56.287 -0.023 0.000 0.800 372 K CB -1.714 30.682 32.500 -0.173 0.000 1.238 372 K HN 0.715 nan 8.250 nan 0.000 0.492 373 E N 1.359 121.560 120.200 0.001 0.000 2.324 373 E HA 0.082 4.432 4.350 0.001 0.000 0.271 373 E C -2.393 174.221 176.600 0.024 0.000 1.028 373 E CA -2.084 54.318 56.400 0.004 0.000 0.890 373 E CB 0.697 30.400 29.700 0.005 0.000 1.004 373 E HN -0.065 nan 8.360 nan 0.000 0.431 374 P HA -0.023 nan 4.420 nan 0.000 0.266 374 P C -1.460 175.853 177.300 0.023 0.000 1.195 374 P CA 0.149 63.267 63.100 0.031 0.000 0.768 374 P CB 0.933 32.646 31.700 0.022 0.000 0.838 375 A N 3.211 126.045 122.820 0.024 0.000 2.506 375 A HA 0.164 4.484 4.320 0.001 0.000 0.320 375 A C -0.109 177.479 177.584 0.007 0.000 1.424 375 A CA -0.452 51.596 52.037 0.018 0.000 1.044 375 A CB -0.459 18.556 19.000 0.024 0.000 1.140 375 A HN 0.416 nan 8.150 nan 0.000 0.538 376 D N 2.451 122.854 120.400 0.005 0.000 2.356 376 D HA 0.293 4.933 4.640 0.001 0.000 0.272 376 D C 1.392 177.689 176.300 -0.004 0.000 1.337 376 D CA 1.859 55.858 54.000 -0.001 0.000 0.970 376 D CB 0.616 41.416 40.800 0.000 0.000 1.092 376 D HN 0.980 nan 8.370 nan 0.000 0.516 377 G N 1.990 110.783 108.800 -0.012 0.000 2.241 377 G HA2 -0.350 3.610 3.960 0.001 0.000 0.244 377 G HA3 -0.350 3.610 3.960 0.001 0.000 0.244 377 G C 1.002 175.897 174.900 -0.009 0.000 0.998 377 G CA 0.307 45.399 45.100 -0.013 0.000 0.621 377 G HN 0.496 nan 8.290 nan 0.000 0.519 378 L N 1.995 123.216 121.223 -0.003 0.000 2.017 378 L HA 0.259 4.599 4.340 0.001 0.000 0.208 378 L C 2.703 179.582 176.870 0.015 0.000 1.073 378 L CA 3.356 58.200 54.840 0.006 0.000 0.745 378 L CB -1.203 40.863 42.059 0.011 0.000 0.894 378 L HN 0.460 nan 8.230 nan 0.000 0.432 379 G N -0.929 107.866 108.800 -0.009 0.000 2.446 379 G HA2 -0.299 3.661 3.960 0.001 0.000 0.217 379 G HA3 -0.299 3.661 3.960 0.001 0.000 0.217 379 G C 1.601 176.482 174.900 -0.030 0.000 1.168 379 G CA 1.037 46.110 45.100 -0.044 0.000 0.771 379 G HN 0.679 nan 8.290 nan 0.000 0.551 380 A N 0.299 123.094 122.820 -0.042 0.000 1.933 380 A HA 0.035 4.355 4.320 0.001 0.000 0.218 380 A C 2.298 179.894 177.584 0.021 0.000 1.175 380 A CA 1.892 53.915 52.037 -0.022 0.000 0.628 380 A CB -0.318 18.665 19.000 -0.028 0.000 0.814 380 A HN 0.336 nan 8.150 nan 0.000 0.444 381 K N -0.392 120.021 120.400 0.021 0.000 2.002 381 K HA -0.083 4.237 4.320 0.001 0.000 0.209 381 K C 1.854 178.481 176.600 0.045 0.000 1.048 381 K CA 1.615 57.916 56.287 0.023 0.000 0.930 381 K CB -0.395 32.111 32.500 0.010 0.000 0.714 381 K HN 0.568 nan 8.250 nan 0.000 0.438 382 I N 0.874 121.495 120.570 0.085 0.000 2.264 382 I HA -0.278 3.892 4.170 0.001 0.000 0.248 382 I C 2.123 178.330 176.117 0.150 0.000 1.111 382 I CA 1.321 62.680 61.300 0.099 0.000 1.382 382 I CB -0.550 37.544 38.000 0.158 0.000 1.060 382 I HN 0.189 nan 8.210 nan 0.000 0.418 383 T N 0.134 114.852 114.554 0.274 0.000 2.821 383 T HA -0.145 4.206 4.350 0.001 0.000 0.267 383 T C 2.057 176.819 174.700 0.104 0.000 1.046 383 T CA 1.100 63.356 62.100 0.260 0.000 1.139 383 T CB -0.220 68.786 68.868 0.230 0.000 0.871 383 T HN 0.296 nan 8.240 nan 0.000 0.454 384 R N 0.676 121.215 120.500 0.064 0.000 2.075 384 R HA -0.056 4.285 4.340 0.001 0.000 0.232 384 R C 2.608 178.913 176.300 0.008 0.000 1.126 384 R CA 1.061 57.178 56.100 0.027 0.000 0.963 384 R CB -0.073 30.236 30.300 0.015 0.000 0.858 384 R HN 0.365 nan 8.270 nan 0.000 0.435 385 E N 0.223 120.424 120.200 0.001 0.000 2.085 385 E HA -0.214 4.137 4.350 0.001 0.000 0.194 385 E C 2.166 178.742 176.600 -0.040 0.000 0.994 385 E CA 1.162 57.549 56.400 -0.023 0.000 0.801 385 E CB -0.462 29.217 29.700 -0.036 0.000 0.743 385 E HN 0.384 nan 8.360 nan 0.000 0.453 386 C N 0.848 120.119 119.300 -0.048 0.000 2.413 386 C HA -0.155 4.306 4.460 0.001 0.000 0.276 386 C C 2.805 177.758 174.990 -0.061 0.000 1.236 386 C CA 1.123 60.089 59.018 -0.087 0.000 1.735 386 C CB -0.866 26.801 27.740 -0.122 0.000 2.031 386 C HN 0.403 nan 8.230 nan 0.000 0.474 387 M N 1.956 121.542 119.600 -0.024 0.000 2.149 387 M HA -0.089 4.391 4.480 0.001 0.000 0.261 387 M C 1.673 177.963 176.300 -0.018 0.000 1.064 387 M CA 1.685 56.977 55.300 -0.013 0.000 1.102 387 M CB -0.942 31.665 32.600 0.012 0.000 1.369 387 M HN 0.305 nan 8.290 nan 0.000 0.408 388 N N 0.005 118.693 118.700 -0.019 0.000 2.188 388 N HA -0.053 4.688 4.740 0.001 0.000 0.184 388 N C 1.567 177.062 175.510 -0.025 0.000 1.018 388 N CA 1.264 54.302 53.050 -0.019 0.000 0.858 388 N CB -0.468 38.008 38.487 -0.018 0.000 0.989 388 N HN 0.417 nan 8.380 nan 0.000 0.426 389 L N -0.306 120.894 121.223 -0.039 0.000 2.610 389 L HA 0.097 4.437 4.340 0.001 0.000 0.232 389 L C 0.802 177.643 176.870 -0.048 0.000 1.149 389 L CA 0.275 55.087 54.840 -0.047 0.000 0.872 389 L CB -0.426 41.593 42.059 -0.067 0.000 0.992 389 L HN 0.257 nan 8.230 nan 0.000 0.447 390 G N 1.098 109.874 108.800 -0.041 0.000 2.171 390 G HA2 -0.253 3.707 3.960 0.001 0.000 0.238 390 G HA3 -0.253 3.707 3.960 0.001 0.000 0.238 390 G C -0.554 174.311 174.900 -0.058 0.000 1.039 390 G CA 0.076 45.159 45.100 -0.029 0.000 0.759 390 G HN 0.167 nan 8.290 nan 0.000 0.501 391 L N 0.839 122.002 121.223 -0.100 0.000 2.404 391 L HA 0.821 5.162 4.340 0.001 0.000 0.272 391 L C 0.132 176.937 176.870 -0.110 0.000 0.980 391 L CA -0.622 54.110 54.840 -0.180 0.000 0.836 391 L CB 1.904 43.787 42.059 -0.293 0.000 1.238 391 L HN 0.331 nan 8.230 nan 0.000 0.408 392 S N 6.420 122.082 115.700 -0.064 0.000 2.499 392 S HA 0.756 5.227 4.470 0.001 0.000 0.275 392 S C -0.169 174.468 174.600 0.062 0.000 1.257 392 S CA -0.481 57.727 58.200 0.014 0.000 1.050 392 S CB 0.079 63.301 63.200 0.036 0.000 0.937 392 S HN 0.650 nan 8.310 nan 0.000 0.490 393 M N 3.774 123.432 119.600 0.096 0.000 2.745 393 M HA 0.523 5.004 4.480 0.001 0.000 0.290 393 M C -0.632 175.797 176.300 0.215 0.000 1.262 393 M CA -0.820 54.588 55.300 0.179 0.000 0.795 393 M CB 1.794 34.496 32.600 0.171 0.000 1.758 393 M HN 0.729 nan 8.290 nan 0.000 0.461 394 N N 0.655 119.530 118.700 0.291 0.000 2.406 394 N HA 0.521 5.261 4.740 0.001 0.000 0.283 394 N C -2.361 173.160 175.510 0.018 0.000 1.074 394 N CA -0.292 52.835 53.050 0.129 0.000 0.916 394 N CB 2.861 41.379 38.487 0.052 0.000 1.639 394 N HN 0.742 nan 8.380 nan 0.000 0.485 395 I N 3.019 123.487 120.570 -0.170 0.000 2.509 395 I HA 0.522 4.692 4.170 0.001 0.000 0.293 395 I C -0.795 175.181 176.117 -0.235 0.000 1.020 395 I CA -0.719 60.341 61.300 -0.399 0.000 1.088 395 I CB 1.678 39.236 38.000 -0.738 0.000 1.267 395 I HN 0.318 nan 8.210 nan 0.000 0.430 396 V N 3.782 123.569 119.914 -0.211 0.000 2.715 396 V HA 0.764 4.884 4.120 0.001 0.000 0.310 396 V C -1.024 175.002 176.094 -0.113 0.000 1.054 396 V CA -0.466 61.751 62.300 -0.139 0.000 0.928 396 V CB 1.603 33.351 31.823 -0.125 0.000 1.007 396 V HN 0.878 nan 8.190 nan 0.000 0.437 397 Q N 3.106 122.865 119.800 -0.068 0.000 2.271 397 Q HA 0.750 5.090 4.340 0.001 0.000 0.268 397 Q C -2.171 173.829 176.000 0.000 0.000 1.021 397 Q CA -0.357 55.423 55.803 -0.039 0.000 0.802 397 Q CB 1.852 30.559 28.738 -0.052 0.000 1.282 397 Q HN 0.869 nan 8.270 nan 0.000 0.431 398 L N 4.594 125.829 121.223 0.021 0.000 2.323 398 L HA 0.752 5.093 4.340 0.001 0.000 0.265 398 L C -2.192 174.708 176.870 0.049 0.000 1.012 398 L CA -1.999 52.868 54.840 0.045 0.000 0.820 398 L CB 1.170 43.264 42.059 0.059 0.000 1.334 398 L HN 0.654 nan 8.230 nan 0.000 0.427 399 P HA 0.200 nan 4.420 nan 0.000 0.269 399 P C 0.639 177.973 177.300 0.058 0.000 1.209 399 P CA 0.441 63.569 63.100 0.046 0.000 0.776 399 P CB 0.864 32.591 31.700 0.045 0.000 0.876 400 G N 0.904 109.731 108.800 0.045 0.000 2.176 400 G HA2 -0.247 3.714 3.960 0.001 0.000 0.253 400 G HA3 -0.247 3.714 3.960 0.001 0.000 0.253 400 G C -0.116 174.816 174.900 0.053 0.000 0.979 400 G CA 0.310 45.433 45.100 0.039 0.000 0.641 400 G HN 0.657 nan 8.290 nan 0.000 0.530 401 M N 0.522 120.169 119.600 0.078 0.000 2.518 401 M HA 0.619 5.100 4.480 0.001 0.000 0.300 401 M C 0.781 177.133 176.300 0.088 0.000 1.175 401 M CA -0.056 55.316 55.300 0.121 0.000 0.890 401 M CB 1.603 34.315 32.600 0.186 0.000 1.710 401 M HN 0.357 nan 8.290 nan 0.000 0.453 402 G N 1.194 110.061 108.800 0.112 0.000 2.667 402 G HA2 0.433 4.393 3.960 0.001 0.000 0.250 402 G HA3 0.433 4.393 3.960 0.001 0.000 0.250 402 G C 0.045 174.964 174.900 0.031 0.000 1.212 402 G CA -0.305 44.838 45.100 0.071 0.000 0.874 402 G HN 0.889 nan 8.290 nan 0.000 0.561 403 G N -1.709 107.074 108.800 -0.028 0.000 2.483 403 G HA2 0.436 4.396 3.960 0.001 0.000 0.248 403 G HA3 0.436 4.396 3.960 0.001 0.000 0.248 403 G C -0.548 174.268 174.900 -0.140 0.000 1.248 403 G CA -0.220 44.815 45.100 -0.109 0.000 0.838 403 G HN 0.666 nan 8.290 nan 0.000 0.566 404 V N 2.403 122.208 119.914 -0.181 0.000 2.448 404 V HA 0.353 4.473 4.120 0.001 0.000 0.295 404 V C -0.591 175.360 176.094 -0.239 0.000 1.025 404 V CA -0.758 61.456 62.300 -0.144 0.000 0.859 404 V CB 1.258 33.041 31.823 -0.066 0.000 0.988 404 V HN 0.556 nan 8.190 nan 0.000 0.431 405 F N 3.846 123.781 119.950 -0.024 0.000 2.412 405 F HA 0.471 4.998 4.527 0.001 0.000 0.348 405 F C 1.106 176.887 175.800 -0.031 0.000 1.102 405 F CA -0.210 57.777 58.000 -0.021 0.000 1.196 405 F CB 0.809 39.805 39.000 -0.006 0.000 1.144 405 F HN 0.286 nan 8.300 nan 0.000 0.541 406 R N 5.073 125.676 120.500 0.171 0.000 2.239 406 R HA 0.480 4.820 4.340 0.001 0.000 0.332 406 R C -1.062 175.288 176.300 0.083 0.000 0.988 406 R CA -0.431 55.706 56.100 0.062 0.000 0.859 406 R CB 0.899 31.190 30.300 -0.016 0.000 1.148 406 R HN 0.563 nan 8.270 nan 0.000 0.482 407 I N 2.129 122.720 120.570 0.035 0.000 2.339 407 I HA 0.416 4.587 4.170 0.001 0.000 0.290 407 I C 0.054 176.072 176.117 -0.163 0.000 0.994 407 I CA -0.475 60.804 61.300 -0.035 0.000 1.191 407 I CB 1.838 39.816 38.000 -0.037 0.000 1.343 407 I HN 0.605 nan 8.210 nan 0.000 0.458 408 A N 8.051 130.745 122.820 -0.210 0.000 3.005 408 A HA 0.588 4.909 4.320 0.001 0.000 0.308 408 A C -2.865 174.571 177.584 -0.246 0.000 1.173 408 A CA -1.095 50.813 52.037 -0.216 0.000 0.796 408 A CB 0.326 19.252 19.000 -0.123 0.000 1.325 408 A HN 0.315 nan 8.150 nan 0.000 0.467 409 P HA 0.432 nan 4.420 nan 0.000 0.276 409 P C -2.756 174.422 177.300 -0.203 0.000 1.252 409 P CA -1.519 61.372 63.100 -0.348 0.000 0.802 409 P CB -0.063 31.292 31.700 -0.575 0.000 1.035 410 P HA 0.092 nan 4.420 nan 0.000 0.268 410 P C 1.001 178.241 177.300 -0.099 0.000 1.208 410 P CA 0.308 63.343 63.100 -0.108 0.000 0.777 410 P CB 0.207 31.861 31.700 -0.077 0.000 0.875 411 L N 1.222 122.395 121.223 -0.083 0.000 2.275 411 L HA -0.104 4.236 4.340 0.001 0.000 0.215 411 L C 1.775 178.619 176.870 -0.043 0.000 1.119 411 L CA 1.629 56.425 54.840 -0.073 0.000 0.790 411 L CB -1.224 40.792 42.059 -0.072 0.000 0.919 411 L HN 0.468 nan 8.230 nan 0.000 0.443 412 T N -3.079 111.462 114.554 -0.021 0.000 3.194 412 T HA 0.075 4.425 4.350 0.001 0.000 0.251 412 T C 0.667 175.373 174.700 0.010 0.000 1.132 412 T CA -0.222 61.887 62.100 0.015 0.000 1.028 412 T CB -0.435 68.471 68.868 0.063 0.000 0.976 412 T HN 0.039 nan 8.240 nan 0.000 0.535 413 V N 3.633 123.535 119.914 -0.020 0.000 2.655 413 V HA 0.354 4.475 4.120 0.001 0.000 0.300 413 V C 0.713 176.814 176.094 0.012 0.000 1.044 413 V CA -0.388 61.904 62.300 -0.013 0.000 1.095 413 V CB 0.628 32.418 31.823 -0.054 0.000 0.952 413 V HN 0.778 nan 8.190 nan 0.000 0.485 414 S N 4.164 119.889 115.700 0.041 0.000 2.632 414 S HA 0.323 4.793 4.470 0.001 0.000 0.267 414 S C 0.741 175.371 174.600 0.051 0.000 1.276 414 S CA -0.163 58.067 58.200 0.050 0.000 0.998 414 S CB 1.266 64.510 63.200 0.072 0.000 0.953 414 S HN 0.781 nan 8.310 nan 0.000 0.547 415 E N 0.763 120.990 120.200 0.044 0.000 2.150 415 E HA -0.042 4.309 4.350 0.001 0.000 0.193 415 E C 1.231 177.865 176.600 0.057 0.000 0.985 415 E CA 1.333 57.758 56.400 0.041 0.000 0.814 415 E CB -0.246 29.472 29.700 0.031 0.000 0.752 415 E HN 0.666 nan 8.360 nan 0.000 0.466 416 D N 0.444 120.882 120.400 0.064 0.000 2.149 416 D HA -0.099 4.542 4.640 0.001 0.000 0.201 416 D C 1.555 177.913 176.300 0.096 0.000 0.972 416 D CA 0.787 54.831 54.000 0.073 0.000 0.835 416 D CB -0.095 40.751 40.800 0.076 0.000 0.966 416 D HN 0.267 nan 8.370 nan 0.000 0.476 417 E N 0.142 120.411 120.200 0.115 0.000 2.153 417 E HA -0.116 4.234 4.350 0.001 0.000 0.194 417 E C 2.058 178.760 176.600 0.170 0.000 0.988 417 E CA 0.379 56.860 56.400 0.134 0.000 0.811 417 E CB 0.147 29.912 29.700 0.108 0.000 0.746 417 E HN 0.242 nan 8.360 nan 0.000 0.466 418 I N 1.546 122.213 120.570 0.162 0.000 2.252 418 I HA -0.213 3.957 4.170 0.001 0.000 0.245 418 I C 1.645 177.867 176.117 0.175 0.000 1.102 418 I CA 1.270 62.708 61.300 0.230 0.000 1.385 418 I CB -0.774 37.296 38.000 0.117 0.000 1.064 418 I HN 0.084 nan 8.210 nan 0.000 0.414 419 D N 0.810 121.269 120.400 0.099 0.000 2.097 419 D HA -0.164 4.476 4.640 0.001 0.000 0.195 419 D C 2.127 178.446 176.300 0.032 0.000 0.989 419 D CA 0.838 54.874 54.000 0.061 0.000 0.827 419 D CB -0.390 40.438 40.800 0.048 0.000 0.966 419 D HN 0.133 nan 8.370 nan 0.000 0.456 420 L N 1.096 122.337 121.223 0.030 0.000 2.013 420 L HA -0.094 4.246 4.340 0.001 0.000 0.212 420 L C 2.147 178.950 176.870 -0.112 0.000 1.073 420 L CA 2.351 57.184 54.840 -0.012 0.000 0.753 420 L CB -1.144 40.935 42.059 0.033 0.000 0.890 420 L HN 0.080 nan 8.230 nan 0.000 0.432 421 G N -0.662 108.029 108.800 -0.182 0.000 2.421 421 G HA2 -0.244 3.717 3.960 0.001 0.000 0.216 421 G HA3 -0.244 3.717 3.960 0.001 0.000 0.216 421 G C 1.656 176.391 174.900 -0.274 0.000 1.171 421 G CA 1.021 45.791 45.100 -0.549 0.000 0.775 421 G HN 0.453 nan 8.290 nan 0.000 0.543 422 L N 0.646 121.848 121.223 -0.035 0.000 2.083 422 L HA -0.080 4.260 4.340 0.001 0.000 0.209 422 L C 3.145 179.995 176.870 -0.033 0.000 1.083 422 L CA 1.370 56.212 54.840 0.003 0.000 0.752 422 L CB -0.312 41.777 42.059 0.050 0.000 0.899 422 L HN 0.374 nan 8.230 nan 0.000 0.433 423 S N 0.052 115.730 115.700 -0.037 0.000 2.345 423 S HA -0.144 4.326 4.470 0.001 0.000 0.220 423 S C 2.041 176.606 174.600 -0.059 0.000 1.031 423 S CA 1.085 59.269 58.200 -0.027 0.000 0.996 423 S CB -0.283 62.906 63.200 -0.018 0.000 0.882 423 S HN 0.310 nan 8.310 nan 0.000 0.445 424 L N 0.879 122.037 121.223 -0.109 0.000 2.043 424 L HA -0.138 4.202 4.340 0.001 0.000 0.212 424 L C 2.594 179.373 176.870 -0.151 0.000 1.075 424 L CA 1.290 56.051 54.840 -0.132 0.000 0.752 424 L CB -0.653 41.295 42.059 -0.184 0.000 0.891 424 L HN 0.379 nan 8.230 nan 0.000 0.432 425 L N 0.192 121.304 121.223 -0.185 0.000 2.046 425 L HA -0.064 4.276 4.340 0.001 0.000 0.208 425 L C 2.382 179.151 176.870 -0.168 0.000 1.077 425 L CA 2.118 56.832 54.840 -0.211 0.000 0.747 425 L CB -1.013 40.904 42.059 -0.237 0.000 0.896 425 L HN 0.123 nan 8.230 nan 0.000 0.432 426 G N -1.527 107.234 108.800 -0.065 0.000 2.422 426 G HA2 -0.252 3.709 3.960 0.001 0.000 0.218 426 G HA3 -0.252 3.709 3.960 0.001 0.000 0.218 426 G C 1.431 176.338 174.900 0.011 0.000 1.146 426 G CA 0.709 45.832 45.100 0.039 0.000 0.769 426 G HN 0.538 nan 8.290 nan 0.000 0.547 427 Q N 0.229 120.026 119.800 -0.006 0.000 2.030 427 Q HA -0.089 4.252 4.340 0.001 0.000 0.204 427 Q C 3.048 179.012 176.000 -0.059 0.000 0.986 427 Q CA 1.409 57.205 55.803 -0.011 0.000 0.843 427 Q CB -0.331 28.392 28.738 -0.025 0.000 0.904 427 Q HN 0.474 nan 8.270 nan 0.000 0.420 428 A N 0.660 123.416 122.820 -0.106 0.000 1.972 428 A HA -0.169 4.151 4.320 0.001 0.000 0.219 428 A C 2.003 179.490 177.584 -0.162 0.000 1.169 428 A CA 1.157 53.122 52.037 -0.120 0.000 0.635 428 A CB -0.535 18.381 19.000 -0.140 0.000 0.810 428 A HN 0.301 nan 8.150 nan 0.000 0.446 429 I N -0.939 119.465 120.570 -0.276 0.000 2.286 429 I HA -0.195 3.976 4.170 0.001 0.000 0.245 429 I C 2.462 178.379 176.117 -0.334 0.000 1.104 429 I CA 1.286 62.314 61.300 -0.453 0.000 1.397 429 I CB -0.300 37.121 38.000 -0.965 0.000 1.072 429 I HN 0.370 nan 8.210 nan 0.000 0.417 430 E N 0.706 120.804 120.200 -0.169 0.000 2.058 430 E HA -0.247 4.103 4.350 0.001 0.000 0.194 430 E C 2.305 178.916 176.600 0.019 0.000 0.997 430 E CA 1.306 57.755 56.400 0.082 0.000 0.801 430 E CB -0.046 29.755 29.700 0.168 0.000 0.746 430 E HN 0.374 nan 8.360 nan 0.000 0.450 431 R N -0.011 120.479 120.500 -0.016 0.000 2.152 431 R HA -0.056 4.284 4.340 0.001 0.000 0.232 431 R C 2.189 178.478 176.300 -0.018 0.000 1.117 431 R CA 0.982 57.074 56.100 -0.013 0.000 0.981 431 R CB -0.148 30.140 30.300 -0.020 0.000 0.870 431 R HN 0.104 nan 8.270 nan 0.000 0.451 432 A N 1.049 123.844 122.820 -0.042 0.000 2.016 432 A HA 0.062 4.382 4.320 0.001 0.000 0.217 432 A C 1.091 178.665 177.584 -0.016 0.000 1.162 432 A CA 0.339 52.357 52.037 -0.031 0.000 0.662 432 A CB -0.144 18.831 19.000 -0.041 0.000 0.812 432 A HN 0.042 nan 8.150 nan 0.000 0.450 433 L N 0.000 121.216 121.223 -0.011 0.000 2.949 433 L HA 0.000 4.340 4.340 0.001 0.000 0.249 433 L CA 0.000 54.850 54.840 0.017 0.000 0.813 433 L CB 0.000 42.090 42.059 0.052 0.000 0.961 433 L HN 0.000 nan 8.230 nan 0.000 0.502