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 1toe_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGLYYDET GKIPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKLYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGSGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSXNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRDN YSSPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VXAVL 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.276 176.300 -0.040 0.000 1.140 5 M CA 0.000 55.139 55.300 -0.268 0.000 0.988 5 M CB 0.000 32.316 32.600 -0.473 0.000 1.302 6 F N 0.334 120.284 119.950 -0.001 0.000 2.704 6 F HA 0.393 4.920 4.527 -0.000 0.000 0.304 6 F C 1.498 177.297 175.800 -0.002 0.000 1.094 6 F CA 0.152 58.151 58.000 -0.002 0.000 1.275 6 F CB -0.642 38.358 39.000 -0.001 0.000 1.073 6 F HN 0.053 nan 8.300 nan 0.000 0.586 7 E N 0.529 120.804 120.200 0.125 0.000 2.147 7 E HA -0.241 4.108 4.350 -0.000 0.000 0.199 7 E C 1.671 178.310 176.600 0.065 0.000 1.005 7 E CA 1.488 57.932 56.400 0.073 0.000 0.810 7 E CB -0.359 29.358 29.700 0.028 0.000 0.736 7 E HN 0.327 nan 8.360 nan 0.000 0.460 8 N N 0.089 118.829 118.700 0.066 0.000 2.236 8 N HA 0.068 4.808 4.740 -0.000 0.000 0.196 8 N C -0.364 175.175 175.510 0.047 0.000 1.114 8 N CA -0.146 52.931 53.050 0.046 0.000 0.859 8 N CB 0.449 38.956 38.487 0.034 0.000 0.982 8 N HN 0.099 nan 8.380 nan 0.000 0.493 9 I N 2.318 122.928 120.570 0.067 0.000 2.683 9 I HA -0.063 4.107 4.170 -0.000 0.000 0.286 9 I C 0.636 176.765 176.117 0.021 0.000 1.175 9 I CA 0.188 61.514 61.300 0.043 0.000 1.429 9 I CB 0.784 38.808 38.000 0.039 0.000 1.371 9 I HN 0.043 nan 8.210 nan 0.000 0.569 10 T N 3.580 118.140 114.554 0.009 0.000 2.909 10 T HA 0.606 4.956 4.350 -0.000 0.000 0.286 10 T C 0.225 174.920 174.700 -0.008 0.000 1.002 10 T CA -1.043 61.058 62.100 0.002 0.000 1.074 10 T CB 1.528 70.396 68.868 0.000 0.000 0.984 10 T HN 0.674 nan 8.240 nan 0.000 0.495 11 A N 1.941 124.756 122.820 -0.009 0.000 2.520 11 A HA 0.554 4.874 4.320 -0.000 0.000 0.235 11 A C 0.960 178.532 177.584 -0.020 0.000 1.065 11 A CA -0.303 51.724 52.037 -0.016 0.000 0.764 11 A CB -0.713 18.280 19.000 -0.013 0.000 1.002 11 A HN 1.434 nan 8.150 nan 0.000 0.502 12 A N 3.645 126.449 122.820 -0.027 0.000 2.462 12 A HA 0.516 4.836 4.320 -0.000 0.000 0.243 12 A C -1.601 175.967 177.584 -0.028 0.000 1.076 12 A CA -0.957 51.062 52.037 -0.031 0.000 0.773 12 A CB -0.653 18.324 19.000 -0.038 0.000 1.010 12 A HN 0.767 nan 8.150 nan 0.000 0.493 13 P HA 0.254 nan 4.420 nan 0.000 0.263 13 P C 0.034 177.317 177.300 -0.029 0.000 1.195 13 P CA 0.267 63.351 63.100 -0.027 0.000 0.762 13 P CB 0.337 32.018 31.700 -0.032 0.000 0.799 14 A N 3.241 126.049 122.820 -0.021 0.000 2.567 14 A HA -0.012 4.308 4.320 -0.000 0.000 0.240 14 A C 0.569 178.138 177.584 -0.025 0.000 1.053 14 A CA 0.076 52.102 52.037 -0.018 0.000 0.755 14 A CB -0.304 18.692 19.000 -0.007 0.000 0.978 14 A HN 0.583 nan 8.150 nan 0.000 0.507 15 D N 3.852 124.235 120.400 -0.028 0.000 2.339 15 D HA 0.233 4.873 4.640 -0.000 0.000 0.241 15 D C -1.268 175.021 176.300 -0.018 0.000 1.183 15 D CA -1.985 51.992 54.000 -0.038 0.000 0.859 15 D CB 1.056 41.824 40.800 -0.052 0.000 1.067 15 D HN 0.236 nan 8.370 nan 0.000 0.484 16 P HA -0.101 nan 4.420 nan 0.000 0.219 16 P C 1.662 178.975 177.300 0.022 0.000 1.146 16 P CA 0.720 63.823 63.100 0.006 0.000 0.808 16 P CB 0.625 32.326 31.700 0.001 0.000 0.779 17 I N -1.061 119.513 120.570 0.006 0.000 2.400 17 I HA -0.099 4.071 4.170 -0.000 0.000 0.248 17 I C 2.460 178.595 176.117 0.031 0.000 1.109 17 I CA 0.778 62.090 61.300 0.022 0.000 1.425 17 I CB -0.320 37.680 38.000 0.000 0.000 1.094 17 I HN -0.154 nan 8.210 nan 0.000 0.425 18 L N 0.281 121.512 121.223 0.013 0.000 2.156 18 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 18 L C 2.599 179.489 176.870 0.033 0.000 1.095 18 L CA 1.223 56.074 54.840 0.017 0.000 0.770 18 L CB -1.016 41.043 42.059 -0.000 0.000 0.914 18 L HN 0.275 nan 8.230 nan 0.000 0.439 19 G N -0.023 108.797 108.800 0.034 0.000 2.448 19 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.219 19 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.219 19 G C 1.644 176.598 174.900 0.091 0.000 1.127 19 G CA 0.218 45.348 45.100 0.050 0.000 0.766 19 G HN 0.173 nan 8.290 nan 0.000 0.552 20 L N 0.327 121.615 121.223 0.107 0.000 2.005 20 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 20 L C 3.361 180.349 176.870 0.196 0.000 1.072 20 L CA 1.378 56.331 54.840 0.188 0.000 0.744 20 L CB -0.471 41.694 42.059 0.177 0.000 0.895 20 L HN 0.346 nan 8.230 nan 0.000 0.433 21 A N -0.428 122.456 122.820 0.106 0.000 1.908 21 A HA -0.314 4.006 4.320 -0.000 0.000 0.218 21 A C 1.894 179.543 177.584 0.108 0.000 1.181 21 A CA 2.211 54.290 52.037 0.069 0.000 0.627 21 A CB -0.700 18.313 19.000 0.021 0.000 0.818 21 A HN 0.472 nan 8.150 nan 0.000 0.445 22 D N -0.954 119.500 120.400 0.090 0.000 2.144 22 D HA -0.119 4.521 4.640 -0.000 0.000 0.199 22 D C 1.690 178.046 176.300 0.094 0.000 0.984 22 D CA 0.890 54.936 54.000 0.076 0.000 0.834 22 D CB -0.122 40.712 40.800 0.056 0.000 0.955 22 D HN 0.222 nan 8.370 nan 0.000 0.465 23 L N -0.416 120.893 121.223 0.143 0.000 2.109 23 L HA 0.029 4.369 4.340 -0.000 0.000 0.207 23 L C 1.930 178.894 176.870 0.157 0.000 1.086 23 L CA 1.199 56.150 54.840 0.185 0.000 0.760 23 L CB -0.925 41.304 42.059 0.285 0.000 0.910 23 L HN 0.102 nan 8.230 nan 0.000 0.437 24 F N 0.307 120.189 119.950 -0.113 0.000 2.102 24 F HA -0.218 4.309 4.527 -0.000 0.000 0.298 24 F C 2.530 178.188 175.800 -0.237 0.000 1.105 24 F CA 1.562 59.266 58.000 -0.494 0.000 1.239 24 F CB -0.128 38.505 39.000 -0.612 0.000 0.991 24 F HN -0.015 nan 8.300 nan 0.000 0.474 25 R N -0.153 120.355 120.500 0.013 0.000 2.189 25 R HA 0.014 4.354 4.340 -0.000 0.000 0.218 25 R C 2.036 178.285 176.300 -0.084 0.000 1.074 25 R CA 0.841 56.927 56.100 -0.024 0.000 0.991 25 R CB -0.551 29.785 30.300 0.060 0.000 0.883 25 R HN 0.346 nan 8.270 nan 0.000 0.457 26 A N 0.840 123.623 122.820 -0.062 0.000 2.251 26 A HA -0.036 4.284 4.320 -0.000 0.000 0.209 26 A C 0.266 177.806 177.584 -0.072 0.000 1.187 26 A CA 0.007 52.018 52.037 -0.044 0.000 0.823 26 A CB 0.074 19.073 19.000 -0.002 0.000 0.846 26 A HN 0.020 nan 8.150 nan 0.000 0.486 27 D N 0.203 120.512 120.400 -0.151 0.000 2.316 27 D HA 0.281 4.921 4.640 -0.000 0.000 0.245 27 D C 0.453 176.650 176.300 -0.171 0.000 1.171 27 D CA 0.034 53.947 54.000 -0.145 0.000 0.856 27 D CB 0.991 41.677 40.800 -0.191 0.000 1.090 27 D HN 0.290 nan 8.370 nan 0.000 0.476 28 E N 1.827 121.969 120.200 -0.096 0.000 2.474 28 E HA 0.054 4.404 4.350 -0.000 0.000 0.194 28 E C 0.079 176.637 176.600 -0.071 0.000 1.041 28 E CA -0.077 56.273 56.400 -0.082 0.000 0.874 28 E CB 0.368 30.038 29.700 -0.051 0.000 0.914 28 E HN 0.242 nan 8.360 nan 0.000 0.498 29 R N 1.571 122.031 120.500 -0.066 0.000 2.484 29 R HA -0.019 4.321 4.340 -0.000 0.000 0.293 29 R C -1.415 174.852 176.300 -0.054 0.000 1.023 29 R CA -0.620 55.455 56.100 -0.043 0.000 1.037 29 R CB 0.297 30.587 30.300 -0.016 0.000 0.951 29 R HN 0.075 nan 8.270 nan 0.000 0.418 30 P HA -0.091 nan 4.420 nan 0.000 0.216 30 P C 0.665 177.959 177.300 -0.010 0.000 1.153 30 P CA 1.219 64.304 63.100 -0.025 0.000 0.844 30 P CB 0.214 31.908 31.700 -0.011 0.000 0.787 31 G N 0.854 109.660 108.800 0.011 0.000 3.327 31 G HA2 0.013 3.973 3.960 -0.000 0.000 0.240 31 G HA3 0.013 3.973 3.960 -0.000 0.000 0.240 31 G C 0.371 175.307 174.900 0.061 0.000 1.222 31 G CA -0.411 44.710 45.100 0.034 0.000 0.871 31 G HN 0.407 nan 8.290 nan 0.000 0.525 32 K N 0.128 120.552 120.400 0.040 0.000 2.382 32 K HA 0.382 4.702 4.320 -0.000 0.000 0.275 32 K C -0.724 176.002 176.600 0.210 0.000 1.009 32 K CA -0.021 56.324 56.287 0.098 0.000 0.970 32 K CB 1.133 33.557 32.500 -0.127 0.000 0.934 32 K HN 0.029 nan 8.250 nan 0.000 0.479 33 I N 2.242 123.005 120.570 0.322 0.000 2.447 33 I HA 0.112 4.282 4.170 -0.000 0.000 0.287 33 I C -0.738 175.516 176.117 0.228 0.000 1.023 33 I CA -0.999 60.426 61.300 0.208 0.000 1.083 33 I CB 1.792 39.855 38.000 0.104 0.000 1.245 33 I HN 0.668 nan 8.210 nan 0.000 0.434 34 N N 7.513 126.164 118.700 -0.081 0.000 2.500 34 N HA 0.363 5.103 4.740 -0.000 0.000 0.236 34 N C -0.290 175.064 175.510 -0.261 0.000 1.022 34 N CA -0.196 52.638 53.050 -0.360 0.000 0.935 34 N CB 0.866 38.757 38.487 -0.993 0.000 1.147 34 N HN 0.598 nan 8.380 nan 0.000 0.512 35 L N 2.076 123.258 121.223 -0.069 0.000 2.965 35 L HA 0.387 4.727 4.340 -0.000 0.000 0.254 35 L C 1.550 178.460 176.870 0.067 0.000 1.220 35 L CA -0.355 54.466 54.840 -0.031 0.000 1.023 35 L CB 0.484 42.531 42.059 -0.020 0.000 1.355 35 L HN 0.491 nan 8.230 nan 0.000 0.545 36 G N 0.650 109.483 108.800 0.055 0.000 2.558 36 G HA2 0.080 4.040 3.960 -0.000 0.000 0.218 36 G HA3 0.080 4.040 3.960 -0.000 0.000 0.218 36 G C 0.507 175.500 174.900 0.155 0.000 1.567 36 G CA -0.286 44.874 45.100 0.101 0.000 0.950 36 G HN 0.122 nan 8.290 nan 0.000 0.517 37 I N 1.923 122.555 120.570 0.104 0.000 2.813 37 I HA 0.388 4.558 4.170 -0.000 0.000 0.287 37 I C 1.055 177.304 176.117 0.219 0.000 1.196 37 I CA -0.163 61.221 61.300 0.140 0.000 1.421 37 I CB 0.937 38.960 38.000 0.038 0.000 1.365 37 I HN 0.214 nan 8.210 nan 0.000 0.591 38 G N 8.263 117.270 108.800 0.345 0.000 2.821 38 G HA2 0.422 4.382 3.960 -0.000 0.000 0.289 38 G HA3 0.422 4.382 3.960 -0.000 0.000 0.289 38 G C -0.639 174.292 174.900 0.052 0.000 0.771 38 G CA -0.323 44.953 45.100 0.293 0.000 1.908 38 G HN 0.469 nan 8.290 nan 0.000 0.539 39 L N 0.799 121.987 121.223 -0.059 0.000 2.370 39 L HA 0.391 4.731 4.340 -0.000 0.000 0.266 39 L C -0.717 176.088 176.870 -0.108 0.000 1.002 39 L CA -1.443 53.250 54.840 -0.245 0.000 0.818 39 L CB 2.468 44.165 42.059 -0.603 0.000 1.325 39 L HN 0.392 nan 8.230 nan 0.000 0.418 40 Y N 1.943 122.210 120.300 -0.055 0.000 2.336 40 Y HA 0.397 4.947 4.550 -0.000 0.000 0.335 40 Y C -1.084 174.756 175.900 -0.101 0.000 1.046 40 Y CA -0.199 57.917 58.100 0.027 0.000 1.198 40 Y CB 0.329 38.892 38.460 0.171 0.000 1.182 40 Y HN 0.293 nan 8.280 nan 0.000 0.502 41 Y N 4.422 124.314 120.300 -0.680 0.000 2.387 41 Y HA 0.257 4.807 4.550 -0.000 0.000 0.336 41 Y C 0.269 175.682 175.900 -0.812 0.000 1.067 41 Y CA -1.101 56.689 58.100 -0.516 0.000 1.114 41 Y CB 0.835 39.108 38.460 -0.313 0.000 1.208 41 Y HN 0.694 nan 8.280 nan 0.000 0.458 42 D N 0.130 120.422 120.400 -0.179 0.000 2.447 42 D HA -0.005 4.635 4.640 -0.000 0.000 0.265 42 D C 0.950 177.230 176.300 -0.032 0.000 1.250 42 D CA -0.398 53.570 54.000 -0.053 0.000 1.046 42 D CB 0.452 41.325 40.800 0.121 0.000 1.095 42 D HN 0.600 nan 8.370 nan 0.000 0.555 43 E N -0.871 119.337 120.200 0.014 0.000 2.409 43 E HA -0.147 4.203 4.350 -0.000 0.000 0.198 43 E C 1.163 177.767 176.600 0.007 0.000 1.024 43 E CA 1.232 57.634 56.400 0.004 0.000 0.861 43 E CB -1.127 28.586 29.700 0.021 0.000 0.788 43 E HN 0.590 nan 8.360 nan 0.000 0.521 44 T N -3.173 111.395 114.554 0.023 0.000 3.163 44 T HA 0.421 4.771 4.350 -0.000 0.000 0.252 44 T C 1.374 176.095 174.700 0.036 0.000 1.056 44 T CA 0.309 62.425 62.100 0.027 0.000 0.947 44 T CB -0.083 68.806 68.868 0.036 0.000 1.016 44 T HN 0.310 nan 8.240 nan 0.000 0.554 45 G N 1.252 110.074 108.800 0.036 0.000 2.148 45 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.254 45 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.254 45 G C -0.026 175.004 174.900 0.218 0.000 0.981 45 G CA 0.348 45.486 45.100 0.064 0.000 0.670 45 G HN 0.667 nan 8.290 nan 0.000 0.528 46 K N -0.600 119.894 120.400 0.156 0.000 2.106 46 K HA 0.711 5.030 4.320 -0.000 0.000 0.246 46 K C 0.263 176.894 176.600 0.052 0.000 0.987 46 K CA -0.848 55.513 56.287 0.123 0.000 0.904 46 K CB 1.252 33.800 32.500 0.079 0.000 1.071 46 K HN 0.141 nan 8.250 nan 0.000 0.453 47 I N 3.767 124.317 120.570 -0.033 0.000 2.442 47 I HA 0.193 4.363 4.170 -0.000 0.000 0.279 47 I C -1.876 174.272 176.117 0.051 0.000 1.081 47 I CA -1.788 59.454 61.300 -0.097 0.000 1.197 47 I CB 0.610 38.434 38.000 -0.293 0.000 1.394 47 I HN 0.369 nan 8.210 nan 0.000 0.488 48 P HA 0.224 nan 4.420 nan 0.000 0.276 48 P C -0.269 177.113 177.300 0.137 0.000 1.252 48 P CA -0.277 62.894 63.100 0.118 0.000 0.802 48 P CB 1.391 33.166 31.700 0.126 0.000 1.035 49 V N 2.292 122.273 119.914 0.112 0.000 2.555 49 V HA 0.000 4.120 4.120 -0.000 0.000 0.286 49 V C 0.933 177.087 176.094 0.100 0.000 1.044 49 V CA -0.529 61.838 62.300 0.110 0.000 1.026 49 V CB 0.222 32.102 31.823 0.094 0.000 0.981 49 V HN 0.372 nan 8.190 nan 0.000 0.480 50 L N 4.685 125.970 121.223 0.103 0.000 2.514 50 L HA 0.055 4.395 4.340 -0.000 0.000 0.280 50 L C 1.773 178.690 176.870 0.080 0.000 1.223 50 L CA 0.974 55.866 54.840 0.087 0.000 0.864 50 L CB 0.168 42.292 42.059 0.108 0.000 1.118 50 L HN 0.805 nan 8.230 nan 0.000 0.494 51 T N 0.065 114.656 114.554 0.061 0.000 2.746 51 T HA -0.175 4.174 4.350 -0.000 0.000 0.267 51 T C 1.871 176.607 174.700 0.061 0.000 1.039 51 T CA 1.680 63.812 62.100 0.053 0.000 1.142 51 T CB -0.110 68.779 68.868 0.036 0.000 0.866 51 T HN 0.855 nan 8.240 nan 0.000 0.444 52 S N 1.280 117.026 115.700 0.077 0.000 2.382 52 S HA -0.097 4.373 4.470 -0.000 0.000 0.228 52 S C 2.156 176.805 174.600 0.082 0.000 1.027 52 S CA 0.984 59.237 58.200 0.088 0.000 0.991 52 S CB -0.967 62.324 63.200 0.151 0.000 0.823 52 S HN 0.299 nan 8.310 nan 0.000 0.469 53 V N 2.442 122.418 119.914 0.103 0.000 2.261 53 V HA -0.151 3.969 4.120 -0.000 0.000 0.246 53 V C 2.864 178.994 176.094 0.060 0.000 1.047 53 V CA 1.872 64.221 62.300 0.082 0.000 1.015 53 V CB -0.624 31.264 31.823 0.107 0.000 0.642 53 V HN 0.409 nan 8.190 nan 0.000 0.446 54 K N 0.399 120.840 120.400 0.068 0.000 2.032 54 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 54 K C 2.129 178.766 176.600 0.061 0.000 1.048 54 K CA 1.599 57.925 56.287 0.065 0.000 0.927 54 K CB -0.441 32.095 32.500 0.060 0.000 0.712 54 K HN 0.470 nan 8.250 nan 0.000 0.441 55 K N 0.350 120.782 120.400 0.054 0.000 2.057 55 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 55 K C 2.225 178.865 176.600 0.065 0.000 1.049 55 K CA 1.320 57.639 56.287 0.053 0.000 0.931 55 K CB -0.181 32.340 32.500 0.036 0.000 0.714 55 K HN 0.129 nan 8.250 nan 0.000 0.440 56 A N 1.630 124.474 122.820 0.040 0.000 1.902 56 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 56 A C 1.896 179.523 177.584 0.073 0.000 1.181 56 A CA 1.451 53.508 52.037 0.034 0.000 0.623 56 A CB -0.357 18.620 19.000 -0.039 0.000 0.818 56 A HN 0.288 nan 8.150 nan 0.000 0.443 57 E N -0.793 119.437 120.200 0.050 0.000 2.110 57 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 57 E C 2.226 178.887 176.600 0.103 0.000 0.988 57 E CA 1.279 57.733 56.400 0.089 0.000 0.804 57 E CB -0.142 29.639 29.700 0.134 0.000 0.745 57 E HN 0.816 nan 8.360 nan 0.000 0.458 58 Q N 0.036 119.892 119.800 0.095 0.000 2.084 58 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 58 Q C 2.022 178.073 176.000 0.086 0.000 0.978 58 Q CA 1.411 57.261 55.803 0.079 0.000 0.844 58 Q CB -0.183 28.600 28.738 0.076 0.000 0.898 58 Q HN 0.345 nan 8.270 nan 0.000 0.426 59 Y N 0.770 121.069 120.300 -0.001 0.000 2.145 59 Y HA -0.228 4.322 4.550 -0.000 0.000 0.286 59 Y C 1.739 177.633 175.900 -0.010 0.000 1.145 59 Y CA 1.734 59.828 58.100 -0.009 0.000 1.148 59 Y CB -0.176 38.273 38.460 -0.019 0.000 0.981 59 Y HN 0.111 nan 8.280 nan 0.000 0.507 60 L N -0.370 120.872 121.223 0.031 0.000 2.083 60 L HA -0.247 4.093 4.340 -0.000 0.000 0.209 60 L C 2.599 179.422 176.870 -0.078 0.000 1.083 60 L CA 1.186 55.998 54.840 -0.047 0.000 0.752 60 L CB -0.720 41.361 42.059 0.038 0.000 0.899 60 L HN 0.359 nan 8.230 nan 0.000 0.433 61 L N 0.070 121.276 121.223 -0.027 0.000 2.042 61 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 61 L C 2.329 179.152 176.870 -0.078 0.000 1.076 61 L CA 1.801 56.623 54.840 -0.030 0.000 0.749 61 L CB -0.153 41.905 42.059 -0.003 0.000 0.893 61 L HN 0.373 nan 8.230 nan 0.000 0.432 62 E N -0.789 119.341 120.200 -0.118 0.000 2.358 62 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 62 E C 1.331 177.811 176.600 -0.201 0.000 1.010 62 E CA 0.565 56.883 56.400 -0.137 0.000 0.856 62 E CB 0.258 29.888 29.700 -0.117 0.000 0.795 62 E HN 0.580 nan 8.360 nan 0.000 0.504 63 N N -0.098 118.419 118.700 -0.305 0.000 2.382 63 N HA 0.042 4.782 4.740 -0.000 0.000 0.200 63 N C 0.231 175.618 175.510 -0.204 0.000 1.122 63 N CA 0.061 52.914 53.050 -0.328 0.000 0.870 63 N CB 0.802 38.898 38.487 -0.651 0.000 1.176 63 N HN 0.096 nan 8.380 nan 0.000 0.474 67 T N 0.530 115.058 114.554 -0.043 0.000 2.840 67 T HA 0.539 4.889 4.350 -0.000 0.000 0.317 67 T C -1.331 173.335 174.700 -0.056 0.000 1.401 67 T CA -0.639 61.432 62.100 -0.047 0.000 1.028 67 T CB 1.718 70.563 68.868 -0.038 0.000 1.317 67 T HN -0.043 nan 8.240 nan 0.000 0.495 68 K N 2.738 123.092 120.400 -0.078 0.000 2.514 68 K HA 0.227 4.546 4.320 -0.000 0.000 0.207 68 K C 0.630 177.140 176.600 -0.151 0.000 1.035 68 K CA -0.490 55.737 56.287 -0.101 0.000 1.113 68 K CB 0.079 32.511 32.500 -0.114 0.000 0.846 68 K HN 0.540 nan 8.250 nan 0.000 0.491 69 L N 1.873 123.028 121.223 -0.114 0.000 2.628 69 L HA -0.073 4.266 4.340 -0.000 0.000 0.292 69 L C -0.341 176.480 176.870 -0.082 0.000 1.250 69 L CA 0.487 55.262 54.840 -0.109 0.000 0.892 69 L CB -0.115 41.930 42.059 -0.023 0.000 1.138 69 L HN 0.235 nan 8.230 nan 0.000 0.502 70 Y N 4.524 124.823 120.300 -0.001 0.000 2.904 70 Y HA -0.074 4.476 4.550 -0.000 0.000 0.336 70 Y C 0.996 176.897 175.900 0.001 0.000 1.263 70 Y CA 0.173 58.275 58.100 0.002 0.000 1.547 70 Y CB 0.061 38.523 38.460 0.004 0.000 1.272 70 Y HN 0.456 nan 8.280 nan 0.000 0.596 71 L N 2.598 123.923 121.223 0.171 0.000 2.472 71 L HA 0.267 4.607 4.340 -0.000 0.000 0.260 71 L C 1.316 178.248 176.870 0.103 0.000 1.209 71 L CA -0.327 54.574 54.840 0.102 0.000 0.817 71 L CB 0.053 42.148 42.059 0.059 0.000 1.106 71 L HN 0.833 nan 8.230 nan 0.000 0.479 72 G N 0.445 109.288 108.800 0.071 0.000 2.690 72 G HA2 0.111 4.071 3.960 -0.000 0.000 0.239 72 G HA3 0.111 4.071 3.960 -0.000 0.000 0.239 72 G C 1.013 175.941 174.900 0.047 0.000 1.233 72 G CA -0.428 44.704 45.100 0.054 0.000 0.847 72 G HN 0.697 nan 8.290 nan 0.000 0.588 73 I N 0.373 120.950 120.570 0.012 0.000 2.248 73 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 73 I C 1.991 178.125 176.117 0.029 0.000 1.107 73 I CA 1.789 63.077 61.300 -0.020 0.000 1.373 73 I CB -0.125 37.822 38.000 -0.088 0.000 1.055 73 I HN 0.594 nan 8.210 nan 0.000 0.418 74 D N 0.235 120.683 120.400 0.080 0.000 2.328 74 D HA 0.218 4.858 4.640 -0.000 0.000 0.221 74 D C 1.029 177.425 176.300 0.161 0.000 1.072 74 D CA 0.685 54.789 54.000 0.174 0.000 0.850 74 D CB -0.124 40.890 40.800 0.356 0.000 0.922 74 D HN 0.381 nan 8.370 nan 0.000 0.516 75 G N 0.727 109.586 108.800 0.098 0.000 2.568 75 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.222 75 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.222 75 G C -0.480 174.448 174.900 0.047 0.000 1.321 75 G CA -0.379 44.743 45.100 0.037 0.000 0.893 75 G HN 0.297 nan 8.290 nan 0.000 0.569 76 I N 2.660 123.231 120.570 0.002 0.000 2.452 76 I HA 0.180 4.350 4.170 -0.000 0.000 0.287 76 I C -0.956 175.232 176.117 0.117 0.000 1.079 76 I CA -1.484 59.841 61.300 0.041 0.000 1.387 76 I CB 1.504 39.504 38.000 -0.000 0.000 1.404 76 I HN 0.298 nan 8.210 nan 0.000 0.522 77 P HA -0.209 nan 4.420 nan 0.000 0.215 77 P C 1.412 178.755 177.300 0.072 0.000 1.157 77 P CA 1.030 64.179 63.100 0.081 0.000 0.868 77 P CB 0.283 32.015 31.700 0.053 0.000 0.788 78 E N -1.019 119.214 120.200 0.056 0.000 2.118 78 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 78 E C 1.747 178.364 176.600 0.028 0.000 0.992 78 E CA 1.027 57.441 56.400 0.025 0.000 0.804 78 E CB -1.165 28.538 29.700 0.005 0.000 0.741 78 E HN 0.160 nan 8.360 nan 0.000 0.458 79 F N 0.061 119.959 119.950 -0.087 0.000 2.095 79 F HA -0.065 4.462 4.527 -0.000 0.000 0.298 79 F C 2.038 177.803 175.800 -0.059 0.000 1.104 79 F CA 2.103 60.032 58.000 -0.118 0.000 1.232 79 F CB -0.704 38.225 39.000 -0.117 0.000 0.987 79 F HN 0.117 nan 8.300 nan 0.000 0.475 80 G N -0.188 108.689 108.800 0.128 0.000 2.421 80 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.216 80 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.216 80 G C 1.778 176.645 174.900 -0.056 0.000 1.171 80 G CA 0.842 45.964 45.100 0.038 0.000 0.775 80 G HN 0.310 nan 8.290 nan 0.000 0.543 81 R N -0.725 119.753 120.500 -0.037 0.000 2.073 81 R HA -0.055 4.285 4.340 -0.000 0.000 0.234 81 R C 2.738 178.992 176.300 -0.077 0.000 1.134 81 R CA 1.662 57.738 56.100 -0.040 0.000 0.952 81 R CB -0.670 29.615 30.300 -0.025 0.000 0.850 81 R HN 0.398 nan 8.270 nan 0.000 0.433 82 C N -0.798 118.423 119.300 -0.132 0.000 2.429 82 C HA -0.067 4.393 4.460 -0.000 0.000 0.277 82 C C 2.576 177.453 174.990 -0.187 0.000 1.262 82 C CA 1.158 60.076 59.018 -0.167 0.000 1.733 82 C CB -0.798 26.800 27.740 -0.236 0.000 2.010 82 C HN 0.581 nan 8.230 nan 0.000 0.483 83 T N 0.622 115.010 114.554 -0.278 0.000 2.708 83 T HA -0.219 4.131 4.350 -0.000 0.000 0.266 83 T C 1.823 176.422 174.700 -0.168 0.000 1.037 83 T CA 1.521 63.486 62.100 -0.226 0.000 1.146 83 T CB -0.318 68.354 68.868 -0.327 0.000 0.865 83 T HN 0.650 nan 8.240 nan 0.000 0.435 84 Q N 0.451 120.185 119.800 -0.111 0.000 2.170 84 Q HA -0.108 4.232 4.340 -0.000 0.000 0.203 84 Q C 2.374 178.361 176.000 -0.022 0.000 0.976 84 Q CA 1.130 56.910 55.803 -0.039 0.000 0.858 84 Q CB -0.118 28.700 28.738 0.132 0.000 0.907 84 Q HN 0.639 nan 8.270 nan 0.000 0.433 85 E N 0.318 120.506 120.200 -0.021 0.000 2.072 85 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 85 E C 1.909 178.493 176.600 -0.026 0.000 0.985 85 E CA 0.605 57.006 56.400 0.001 0.000 0.801 85 E CB 0.005 29.702 29.700 -0.005 0.000 0.750 85 E HN 0.147 nan 8.360 nan 0.000 0.452 86 L N 0.719 121.910 121.223 -0.054 0.000 2.042 86 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 86 L C 2.160 178.980 176.870 -0.084 0.000 1.076 86 L CA 1.403 56.223 54.840 -0.034 0.000 0.749 86 L CB -0.625 41.428 42.059 -0.010 0.000 0.893 86 L HN 0.142 nan 8.230 nan 0.000 0.432 87 L N -2.038 119.037 121.223 -0.248 0.000 2.005 87 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 87 L C 2.040 178.614 176.870 -0.494 0.000 1.072 87 L CA 1.866 56.406 54.840 -0.501 0.000 0.744 87 L CB -0.833 40.558 42.059 -1.114 0.000 0.895 87 L HN 0.156 nan 8.230 nan 0.000 0.433 88 F N -1.084 118.857 119.950 -0.015 0.000 2.720 88 F HA 0.538 5.065 4.527 -0.000 0.000 0.301 88 F C 1.215 176.999 175.800 -0.027 0.000 1.103 88 F CA -0.043 57.932 58.000 -0.040 0.000 1.291 88 F CB -0.467 38.506 39.000 -0.045 0.000 1.086 88 F HN 0.066 nan 8.300 nan 0.000 0.592 89 G N 1.829 110.695 108.800 0.109 0.000 2.895 89 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.686 89 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.686 89 G C -0.370 174.573 174.900 0.071 0.000 1.108 89 G CA -0.756 44.387 45.100 0.072 0.000 0.761 89 G HN 0.477 nan 8.290 nan 0.000 0.611 90 K N 1.134 121.559 120.400 0.043 0.000 2.401 90 K HA 0.536 4.856 4.320 -0.000 0.000 0.278 90 K C 1.433 178.050 176.600 0.028 0.000 1.018 90 K CA 0.671 56.978 56.287 0.033 0.000 0.981 90 K CB 1.041 33.552 32.500 0.019 0.000 0.933 90 K HN 2.445 nan 8.250 nan 0.000 0.477 91 G N 1.329 110.143 108.800 0.023 0.000 2.184 91 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.264 91 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.264 91 G C 0.178 175.086 174.900 0.014 0.000 0.975 91 G CA 0.354 45.462 45.100 0.014 0.000 0.642 91 G HN 0.975 nan 8.290 nan 0.000 0.536 92 S N 0.198 115.915 115.700 0.029 0.000 2.558 92 S HA 0.509 4.979 4.470 -0.000 0.000 0.288 92 S C 1.930 176.519 174.600 -0.017 0.000 1.318 92 S CA 0.685 58.897 58.200 0.020 0.000 1.056 92 S CB 1.013 64.254 63.200 0.069 0.000 0.853 92 S HN 1.718 nan 8.310 nan 0.000 0.505 93 A N 4.729 127.526 122.820 -0.038 0.000 2.019 93 A HA -0.001 4.319 4.320 -0.000 0.000 0.219 93 A C 1.969 179.499 177.584 -0.089 0.000 1.164 93 A CA 1.205 53.209 52.037 -0.054 0.000 0.644 93 A CB -0.634 18.336 19.000 -0.050 0.000 0.805 93 A HN 0.804 nan 8.150 nan 0.000 0.449 94 L N -0.382 120.750 121.223 -0.151 0.000 2.046 94 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 94 L C 2.354 179.124 176.870 -0.166 0.000 1.077 94 L CA 1.579 56.272 54.840 -0.244 0.000 0.747 94 L CB -0.438 41.284 42.059 -0.562 0.000 0.896 94 L HN 0.414 nan 8.230 nan 0.000 0.432 95 I N -0.963 119.551 120.570 -0.093 0.000 2.233 95 I HA -0.227 3.943 4.170 -0.000 0.000 0.243 95 I C 2.035 178.133 176.117 -0.033 0.000 1.093 95 I CA 0.760 62.042 61.300 -0.030 0.000 1.380 95 I CB -0.415 37.602 38.000 0.029 0.000 1.067 95 I HN 0.284 nan 8.210 nan 0.000 0.413 96 N N 0.971 119.652 118.700 -0.031 0.000 2.104 96 N HA -0.182 4.558 4.740 -0.000 0.000 0.190 96 N C 1.213 176.704 175.510 -0.032 0.000 1.024 96 N CA 1.389 54.423 53.050 -0.025 0.000 0.853 96 N CB -0.444 38.030 38.487 -0.022 0.000 1.008 96 N HN 0.309 nan 8.380 nan 0.000 0.424 97 D N 0.546 120.918 120.400 -0.045 0.000 2.349 97 D HA 0.033 4.673 4.640 -0.000 0.000 0.224 97 D C 0.013 176.285 176.300 -0.047 0.000 1.029 97 D CA 0.182 54.155 54.000 -0.044 0.000 0.879 97 D CB 0.015 40.784 40.800 -0.052 0.000 0.906 97 D HN 0.218 nan 8.370 nan 0.000 0.528 98 K N -0.010 120.359 120.400 -0.052 0.000 3.148 98 K HA -0.235 4.085 4.320 -0.000 0.000 0.267 98 K C 0.735 177.295 176.600 -0.067 0.000 0.996 98 K CA 0.162 56.417 56.287 -0.054 0.000 0.737 98 K CB -0.910 31.568 32.500 -0.037 0.000 1.308 98 K HN 0.213 nan 8.250 nan 0.000 0.470 99 R N -0.435 120.010 120.500 -0.091 0.000 2.297 99 R HA 0.136 4.476 4.340 -0.000 0.000 0.197 99 R C 0.652 176.886 176.300 -0.110 0.000 0.943 99 R CA 0.744 56.787 56.100 -0.094 0.000 1.038 99 R CB 0.583 30.811 30.300 -0.118 0.000 0.957 99 R HN 0.298 nan 8.270 nan 0.000 0.484 100 A N 1.366 124.112 122.820 -0.123 0.000 2.350 100 A HA 0.649 4.969 4.320 -0.000 0.000 0.324 100 A C -0.582 176.903 177.584 -0.164 0.000 1.118 100 A CA -0.727 51.246 52.037 -0.106 0.000 0.783 100 A CB 1.291 20.269 19.000 -0.037 0.000 1.236 100 A HN -0.023 nan 8.150 nan 0.000 0.457 101 R N 0.957 121.286 120.500 -0.286 0.000 2.628 101 R HA 0.665 5.005 4.340 -0.000 0.000 0.288 101 R C -1.314 174.654 176.300 -0.553 0.000 0.980 101 R CA -0.383 55.329 56.100 -0.647 0.000 0.891 101 R CB 1.941 31.417 30.300 -1.374 0.000 1.188 101 R HN 0.702 nan 8.270 nan 0.000 0.450 102 T N 1.164 115.493 114.554 -0.375 0.000 2.824 102 T HA 0.599 4.949 4.350 -0.000 0.000 0.282 102 T C -0.686 174.149 174.700 0.225 0.000 0.993 102 T CA -0.551 61.543 62.100 -0.010 0.000 0.967 102 T CB 1.785 70.676 68.868 0.039 0.000 0.960 102 T HN 0.600 nan 8.240 nan 0.000 0.441 103 A N 3.266 126.329 122.820 0.406 0.000 2.288 103 A HA 0.553 4.873 4.320 -0.000 0.000 0.320 103 A C 0.187 177.961 177.584 0.317 0.000 1.217 103 A CA -0.696 51.586 52.037 0.409 0.000 0.840 103 A CB 0.650 19.857 19.000 0.345 0.000 1.179 103 A HN 0.796 nan 8.150 nan 0.000 0.504 104 Q N 1.946 121.918 119.800 0.285 0.000 2.300 104 Q HA 0.317 4.657 4.340 -0.000 0.000 0.280 104 Q C -0.080 175.985 176.000 0.109 0.000 1.033 104 Q CA 0.720 56.622 55.803 0.166 0.000 0.903 104 Q CB 0.382 28.992 28.738 -0.213 0.000 1.195 104 Q HN 0.817 nan 8.270 nan 0.000 0.386 105 T N 0.989 115.594 114.554 0.084 0.000 2.901 105 T HA 0.569 4.919 4.350 -0.000 0.000 0.293 105 T C -2.721 171.915 174.700 -0.105 0.000 1.084 105 T CA -2.137 59.985 62.100 0.036 0.000 1.008 105 T CB 1.736 70.672 68.868 0.113 0.000 1.170 105 T HN 0.464 nan 8.240 nan 0.000 0.509 106 P HA 0.390 nan 4.420 nan 0.000 0.256 106 P C 0.769 178.006 177.300 -0.106 0.000 1.688 106 P CA 0.803 63.763 63.100 -0.234 0.000 1.162 106 P CB -0.515 30.950 31.700 -0.391 0.000 1.870 107 G N 2.763 111.535 108.800 -0.047 0.000 2.795 107 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.664 107 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.664 107 G C 0.948 175.849 174.900 0.002 0.000 1.381 107 G CA -0.489 44.604 45.100 -0.012 0.000 0.853 107 G HN 0.448 nan 8.290 nan 0.000 0.545 108 G N -0.584 108.201 108.800 -0.025 0.000 2.422 108 G HA2 0.043 4.003 3.960 -0.000 0.000 0.218 108 G HA3 0.043 4.003 3.960 -0.000 0.000 0.218 108 G C 2.131 177.058 174.900 0.045 0.000 1.146 108 G CA 2.153 47.241 45.100 -0.019 0.000 0.769 108 G HN 1.358 nan 8.290 nan 0.000 0.547 109 S N 0.786 116.525 115.700 0.066 0.000 2.356 109 S HA -0.078 4.392 4.470 -0.000 0.000 0.223 109 S C 2.538 177.186 174.600 0.079 0.000 1.032 109 S CA 1.226 59.499 58.200 0.122 0.000 1.005 109 S CB -0.685 62.596 63.200 0.135 0.000 0.867 109 S HN 0.528 nan 8.310 nan 0.000 0.449 110 G N 1.329 110.156 108.800 0.046 0.000 2.442 110 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.219 110 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.219 110 G C 1.527 176.493 174.900 0.109 0.000 1.141 110 G CA 0.937 46.064 45.100 0.045 0.000 0.763 110 G HN 0.590 nan 8.290 nan 0.000 0.554 111 A N 0.143 123.027 122.820 0.107 0.000 1.969 111 A HA 0.154 4.474 4.320 -0.000 0.000 0.218 111 A C 2.315 180.003 177.584 0.173 0.000 1.169 111 A CA 1.125 53.249 52.037 0.144 0.000 0.635 111 A CB -0.274 18.802 19.000 0.127 0.000 0.810 111 A HN 0.291 nan 8.150 nan 0.000 0.445 112 L N -0.468 120.852 121.223 0.163 0.000 2.027 112 L HA -0.068 4.272 4.340 -0.000 0.000 0.206 112 L C 2.494 179.473 176.870 0.182 0.000 1.074 112 L CA 1.937 56.893 54.840 0.193 0.000 0.745 112 L CB -1.196 40.941 42.059 0.130 0.000 0.898 112 L HN 0.416 nan 8.230 nan 0.000 0.433 113 R N -0.315 120.257 120.500 0.121 0.000 2.083 113 R HA -0.123 4.217 4.340 -0.000 0.000 0.237 113 R C 2.196 178.601 176.300 0.175 0.000 1.137 113 R CA 1.728 57.902 56.100 0.123 0.000 0.951 113 R CB -0.989 29.368 30.300 0.096 0.000 0.851 113 R HN 0.178 nan 8.270 nan 0.000 0.434 114 V N 0.876 120.904 119.914 0.190 0.000 2.287 114 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 114 V C 2.391 178.627 176.094 0.237 0.000 1.053 114 V CA 2.076 64.492 62.300 0.193 0.000 1.027 114 V CB -1.086 30.848 31.823 0.186 0.000 0.646 114 V HN 0.547 nan 8.190 nan 0.000 0.447 115 A N -0.093 122.882 122.820 0.259 0.000 1.883 115 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 115 A C 2.427 180.229 177.584 0.364 0.000 1.186 115 A CA 2.418 54.652 52.037 0.329 0.000 0.624 115 A CB -0.880 18.309 19.000 0.314 0.000 0.822 115 A HN 0.601 nan 8.150 nan 0.000 0.444 116 A N -0.174 122.853 122.820 0.344 0.000 1.877 116 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 116 A C 1.816 179.531 177.584 0.217 0.000 1.186 116 A CA 1.914 54.148 52.037 0.328 0.000 0.620 116 A CB -0.648 18.599 19.000 0.412 0.000 0.822 116 A HN 0.458 nan 8.150 nan 0.000 0.443 117 D N -0.997 119.522 120.400 0.198 0.000 2.123 117 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 117 D C 1.626 178.018 176.300 0.153 0.000 0.992 117 D CA 1.454 55.540 54.000 0.144 0.000 0.833 117 D CB -0.494 40.381 40.800 0.125 0.000 0.954 117 D HN 0.481 nan 8.370 nan 0.000 0.455 118 F N 1.224 121.218 119.950 0.073 0.000 2.069 118 F HA -0.215 4.311 4.527 -0.000 0.000 0.298 118 F C 1.954 177.794 175.800 0.067 0.000 1.113 118 F CA 1.046 59.083 58.000 0.062 0.000 1.214 118 F CB -0.338 38.708 39.000 0.078 0.000 0.978 118 F HN -0.128 nan 8.300 nan 0.000 0.474 119 L N 0.882 122.032 121.223 -0.121 0.000 2.012 119 L HA -0.140 4.199 4.340 -0.000 0.000 0.210 119 L C 2.792 179.565 176.870 -0.162 0.000 1.073 119 L CA 2.011 56.721 54.840 -0.217 0.000 0.748 119 L CB -2.022 40.046 42.059 0.016 0.000 0.891 119 L HN 0.332 nan 8.230 nan 0.000 0.431 120 A N -1.086 121.701 122.820 -0.055 0.000 1.930 120 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 120 A C 2.289 179.837 177.584 -0.061 0.000 1.175 120 A CA 1.577 53.594 52.037 -0.034 0.000 0.627 120 A CB -0.333 18.677 19.000 0.016 0.000 0.815 120 A HN 0.412 nan 8.150 nan 0.000 0.443 121 K N -0.838 119.516 120.400 -0.077 0.000 2.361 121 K HA 0.093 4.413 4.320 -0.000 0.000 0.196 121 K C 0.532 177.065 176.600 -0.111 0.000 1.039 121 K CA 0.689 56.935 56.287 -0.068 0.000 1.001 121 K CB 0.151 32.635 32.500 -0.027 0.000 0.795 121 K HN 0.413 nan 8.250 nan 0.000 0.495 122 N N 0.235 118.799 118.700 -0.226 0.000 2.145 122 N HA -0.002 4.738 4.740 -0.000 0.000 0.219 122 N C 0.117 175.489 175.510 -0.231 0.000 1.266 122 N CA 0.369 53.268 53.050 -0.251 0.000 0.902 122 N CB 1.464 39.718 38.487 -0.388 0.000 1.078 122 N HN 0.162 nan 8.380 nan 0.000 0.513 123 T N -2.234 112.190 114.554 -0.217 0.000 2.831 123 T HA 0.271 4.620 4.350 -0.000 0.000 0.287 123 T C 0.965 175.623 174.700 -0.070 0.000 1.070 123 T CA -0.468 61.552 62.100 -0.132 0.000 1.010 123 T CB 1.534 70.317 68.868 -0.143 0.000 1.264 123 T HN -0.081 nan 8.240 nan 0.000 0.532 124 S N -0.520 115.162 115.700 -0.030 0.000 2.603 124 S HA 0.168 4.638 4.470 -0.000 0.000 0.220 124 S C 0.668 175.268 174.600 0.000 0.000 0.967 124 S CA -0.439 57.756 58.200 -0.008 0.000 0.920 124 S CB -0.722 62.486 63.200 0.012 0.000 0.773 124 S HN 0.654 nan 8.310 nan 0.000 0.529 125 V N 3.925 123.834 119.914 -0.009 0.000 2.509 125 V HA 0.059 4.179 4.120 -0.000 0.000 0.297 125 V C 0.660 176.749 176.094 -0.008 0.000 1.014 125 V CA 0.270 62.571 62.300 0.002 0.000 1.127 125 V CB -0.478 31.340 31.823 -0.009 0.000 0.925 125 V HN 0.623 nan 8.190 nan 0.000 0.480 134 W N 4.294 125.469 121.300 -0.209 0.000 2.322 134 W HA 0.672 5.332 4.660 -0.000 0.000 0.307 134 W C 0.189 176.682 176.519 -0.045 0.000 1.220 134 W CA -0.519 56.767 57.345 -0.098 0.000 1.210 134 W CB 1.589 30.969 29.460 -0.134 0.000 1.223 134 W HN 0.581 nan 8.180 nan 0.000 0.511 135 V N 1.194 121.155 119.914 0.079 0.000 2.815 135 V HA 0.719 4.839 4.120 -0.000 0.000 0.314 135 V C 0.285 176.058 176.094 -0.535 0.000 1.064 135 V CA -1.256 60.995 62.300 -0.081 0.000 0.952 135 V CB 1.190 33.022 31.823 0.015 0.000 1.020 135 V HN 0.537 nan 8.190 nan 0.000 0.439 136 S N 2.542 117.755 115.700 -0.811 0.000 2.572 136 S HA 0.175 4.645 4.470 -0.000 0.000 0.279 136 S C 0.027 174.393 174.600 -0.390 0.000 1.341 136 S CA -0.296 57.272 58.200 -1.053 0.000 1.043 136 S CB 0.088 62.796 63.200 -0.819 0.000 0.887 136 S HN 1.107 nan 8.310 nan 0.000 0.516 137 N N 2.872 121.433 118.700 -0.231 0.000 2.469 137 N HA 0.361 5.101 4.740 -0.000 0.000 0.253 137 N C -2.729 172.855 175.510 0.124 0.000 0.970 137 N CA -1.851 51.191 53.050 -0.012 0.000 0.940 137 N CB 1.236 39.739 38.487 0.026 0.000 1.128 137 N HN 0.456 nan 8.380 nan 0.000 0.503 138 P HA 0.273 nan 4.420 nan 0.000 0.280 138 P C -0.971 176.364 177.300 0.058 0.000 1.272 138 P CA -0.402 62.773 63.100 0.124 0.000 0.819 138 P CB 1.848 33.689 31.700 0.236 0.000 1.122 139 S N -1.097 114.636 115.700 0.055 0.000 2.651 139 S HA 0.423 4.893 4.470 -0.000 0.000 0.279 139 S C -1.702 172.986 174.600 0.146 0.000 1.148 139 S CA -0.648 57.610 58.200 0.096 0.000 0.837 139 S CB 0.290 63.618 63.200 0.213 0.000 1.138 139 S HN 0.432 nan 8.310 nan 0.000 0.478 140 W N 4.668 125.957 121.300 -0.019 0.000 2.443 140 W HA 0.231 4.891 4.660 -0.000 0.000 0.335 140 W C -1.759 174.671 176.519 -0.149 0.000 1.382 140 W CA -1.387 55.867 57.345 -0.153 0.000 1.305 140 W CB 0.416 29.696 29.460 -0.301 0.000 1.283 140 W HN 0.519 nan 8.180 nan 0.000 0.567 141 P HA -0.224 nan 4.420 nan 0.000 0.222 141 P C 0.738 177.718 177.300 -0.532 0.000 1.147 141 P CA 1.789 64.681 63.100 -0.346 0.000 0.790 141 P CB 0.331 31.858 31.700 -0.289 0.000 0.780 142 N N -0.841 117.205 118.700 -1.090 0.000 2.381 142 N HA -0.131 4.609 4.740 -0.000 0.000 0.182 142 N C 1.620 176.714 175.510 -0.693 0.000 1.025 142 N CA 0.808 53.200 53.050 -1.097 0.000 0.888 142 N CB -1.032 36.296 38.487 -1.932 0.000 0.965 142 N HN 0.442 nan 8.380 nan 0.000 0.438 143 H N 0.346 119.179 119.070 -0.395 0.000 2.293 143 H HA -0.062 4.494 4.556 -0.000 0.000 0.300 143 H C 2.029 177.210 175.328 -0.245 0.000 1.082 143 H CA 1.354 57.255 56.048 -0.246 0.000 1.308 143 H CB 0.158 29.998 29.762 0.130 0.000 1.375 143 H HN 0.121 nan 8.280 nan 0.000 0.495 144 K N 0.347 120.770 120.400 0.038 0.000 2.032 144 K HA -0.182 4.137 4.320 -0.000 0.000 0.209 144 K C 2.539 179.112 176.600 -0.046 0.000 1.048 144 K CA 1.486 57.800 56.287 0.045 0.000 0.927 144 K CB -0.146 32.350 32.500 -0.007 0.000 0.712 144 K HN 0.076 nan 8.250 nan 0.000 0.441 145 S N -0.017 115.591 115.700 -0.153 0.000 2.359 145 S HA -0.122 4.348 4.470 -0.000 0.000 0.224 145 S C 1.902 176.406 174.600 -0.159 0.000 1.035 145 S CA 1.427 59.530 58.200 -0.161 0.000 1.018 145 S CB -0.165 62.899 63.200 -0.227 0.000 0.876 145 S HN 0.219 nan 8.310 nan 0.000 0.448 146 V N 1.305 121.057 119.914 -0.271 0.000 2.261 146 V HA -0.141 3.979 4.120 -0.000 0.000 0.246 146 V C 2.075 178.068 176.094 -0.168 0.000 1.047 146 V CA 1.892 64.024 62.300 -0.280 0.000 1.015 146 V CB -0.928 30.628 31.823 -0.446 0.000 0.642 146 V HN 0.449 nan 8.190 nan 0.000 0.446 147 F N 0.933 120.897 119.950 0.023 0.000 2.134 147 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 147 F C 2.234 178.029 175.800 -0.009 0.000 1.097 147 F CA 1.472 59.481 58.000 0.015 0.000 1.264 147 F CB -1.448 37.556 39.000 0.007 0.000 1.001 147 F HN 0.208 nan 8.300 nan 0.000 0.479 148 N N -0.120 118.658 118.700 0.130 0.000 2.104 148 N HA -0.200 4.540 4.740 -0.000 0.000 0.190 148 N C 2.037 177.566 175.510 0.033 0.000 1.024 148 N CA 1.465 54.547 53.050 0.054 0.000 0.853 148 N CB -0.254 38.239 38.487 0.010 0.000 1.008 148 N HN 0.294 nan 8.380 nan 0.000 0.424 149 S N 0.638 116.346 115.700 0.014 0.000 2.419 149 S HA -0.047 4.423 4.470 -0.000 0.000 0.233 149 S C 1.866 176.484 174.600 0.029 0.000 1.016 149 S CA 0.929 59.132 58.200 0.006 0.000 0.974 149 S CB -0.190 62.999 63.200 -0.017 0.000 0.786 149 S HN 0.327 nan 8.310 nan 0.000 0.492 150 A N 0.555 123.412 122.820 0.061 0.000 2.238 150 A HA 0.549 4.869 4.320 -0.000 0.000 0.208 150 A C 1.682 179.302 177.584 0.060 0.000 1.177 150 A CA 0.557 52.640 52.037 0.076 0.000 0.804 150 A CB -1.104 17.974 19.000 0.129 0.000 0.823 150 A HN 1.620 nan 8.150 nan 0.000 0.482 151 G N -1.983 106.846 108.800 0.048 0.000 2.131 151 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.223 151 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.223 151 G C -0.165 174.751 174.900 0.026 0.000 0.990 151 G CA 0.256 45.374 45.100 0.029 0.000 0.671 151 G HN 0.293 nan 8.290 nan 0.000 0.521 155 V N 2.761 122.584 119.914 -0.151 0.000 2.487 155 V HA 0.614 4.734 4.120 -0.000 0.000 0.298 155 V C -0.174 175.726 176.094 -0.323 0.000 1.028 155 V CA -0.640 61.542 62.300 -0.196 0.000 0.860 155 V CB 1.523 33.326 31.823 -0.034 0.000 0.991 155 V HN 0.591 nan 8.190 nan 0.000 0.427 156 R N 2.943 123.098 120.500 -0.575 0.000 2.832 156 R HA 0.671 5.011 4.340 -0.000 0.000 0.271 156 R C -0.931 175.119 176.300 -0.417 0.000 0.996 156 R CA -0.843 54.820 56.100 -0.729 0.000 0.977 156 R CB 2.657 31.993 30.300 -1.607 0.000 1.168 156 R HN 0.680 nan 8.270 nan 0.000 0.482 157 E N 1.350 121.454 120.200 -0.160 0.000 2.195 157 E HA 0.262 4.612 4.350 -0.000 0.000 0.271 157 E C -1.244 175.542 176.600 0.310 0.000 0.923 157 E CA -0.691 55.731 56.400 0.037 0.000 0.790 157 E CB 1.753 31.448 29.700 -0.009 0.000 1.155 157 E HN 0.418 nan 8.360 nan 0.000 0.402 158 Y N -0.141 120.301 120.300 0.237 0.000 2.446 158 Y HA 0.732 5.282 4.550 -0.000 0.000 0.338 158 Y C -0.165 175.825 175.900 0.150 0.000 1.055 158 Y CA -1.500 56.714 58.100 0.190 0.000 1.101 158 Y CB 0.751 39.266 38.460 0.091 0.000 1.221 158 Y HN 0.483 nan 8.280 nan 0.000 0.460 159 A N 2.393 125.387 122.820 0.291 0.000 2.483 159 A HA 0.281 4.601 4.320 -0.000 0.000 0.238 159 A C -0.623 177.159 177.584 0.330 0.000 1.070 159 A CA 0.367 52.535 52.037 0.219 0.000 0.770 159 A CB -0.149 18.938 19.000 0.144 0.000 1.008 159 A HN 1.068 nan 8.150 nan 0.000 0.497 160 Y N 0.053 120.417 120.300 0.107 0.000 2.855 160 Y HA 0.223 4.773 4.550 -0.000 0.000 0.251 160 Y C -0.542 175.439 175.900 0.136 0.000 1.152 160 Y CA 0.076 58.238 58.100 0.103 0.000 1.201 160 Y CB 0.315 38.763 38.460 -0.019 0.000 1.392 160 Y HN 0.665 nan 8.280 nan 0.000 0.470 161 Y N 2.642 122.980 120.300 0.064 0.000 2.335 161 Y HA 0.448 4.998 4.550 -0.000 0.000 0.338 161 Y C -0.981 174.907 175.900 -0.021 0.000 0.977 161 Y CA -1.823 56.287 58.100 0.017 0.000 1.114 161 Y CB 0.888 39.452 38.460 0.173 0.000 1.182 161 Y HN 0.078 nan 8.280 nan 0.000 0.463 162 D N 4.934 125.056 120.400 -0.462 0.000 2.467 162 D HA 0.324 4.964 4.640 -0.000 0.000 0.220 162 D C 0.348 176.088 176.300 -0.933 0.000 1.103 162 D CA 0.139 53.833 54.000 -0.510 0.000 0.886 162 D CB 1.357 41.986 40.800 -0.285 0.000 1.025 162 D HN 0.776 nan 8.370 nan 0.000 0.514 163 A N 3.718 125.947 122.820 -0.986 0.000 2.067 163 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 163 A C 1.831 178.882 177.584 -0.888 0.000 1.156 163 A CA 0.738 52.124 52.037 -1.085 0.000 0.683 163 A CB -0.186 18.479 19.000 -0.559 0.000 0.808 163 A HN 0.661 nan 8.150 nan 0.000 0.455 164 E N 0.285 120.133 120.200 -0.586 0.000 2.046 164 E HA -0.146 4.204 4.350 -0.000 0.000 0.190 164 E C 0.985 177.330 176.600 -0.425 0.000 0.982 164 E CA 1.176 57.318 56.400 -0.429 0.000 0.800 164 E CB -0.072 29.479 29.700 -0.248 0.000 0.756 164 E HN 0.544 nan 8.360 nan 0.000 0.449 165 N N 0.064 118.549 118.700 -0.359 0.000 2.280 165 N HA -0.010 4.730 4.740 -0.000 0.000 0.192 165 N C -0.779 174.679 175.510 -0.087 0.000 1.109 165 N CA 0.302 53.255 53.050 -0.161 0.000 0.855 165 N CB 0.197 38.621 38.487 -0.105 0.000 0.974 165 N HN 0.224 nan 8.380 nan 0.000 0.482 166 H N -0.387 118.528 119.070 -0.259 0.000 2.496 166 H HA -0.151 4.404 4.556 -0.000 0.000 0.323 166 H C -0.068 175.265 175.328 0.007 0.000 1.054 166 H CA 1.031 56.980 56.048 -0.165 0.000 1.095 166 H CB -1.596 28.007 29.762 -0.264 0.000 1.595 166 H HN 0.006 nan 8.280 nan 0.000 0.388 167 T N -0.305 114.240 114.554 -0.015 0.000 2.816 167 T HA 0.463 4.813 4.350 -0.000 0.000 0.299 167 T C -0.518 174.159 174.700 -0.037 0.000 1.230 167 T CA -0.978 61.129 62.100 0.012 0.000 1.007 167 T CB 1.406 70.257 68.868 -0.027 0.000 1.289 167 T HN 0.327 nan 8.240 nan 0.000 0.508 168 L N 2.823 123.990 121.223 -0.093 0.000 2.385 168 L HA 0.284 4.624 4.340 -0.000 0.000 0.281 168 L C -0.058 176.740 176.870 -0.121 0.000 1.106 168 L CA -0.179 54.519 54.840 -0.236 0.000 0.856 168 L CB 0.351 42.234 42.059 -0.293 0.000 1.186 168 L HN 0.622 nan 8.230 nan 0.000 0.453 169 D N 4.432 124.758 120.400 -0.123 0.000 2.545 169 D HA -0.095 4.545 4.640 -0.000 0.000 0.227 169 D C 0.863 177.175 176.300 0.020 0.000 1.150 169 D CA 0.111 54.084 54.000 -0.045 0.000 1.046 169 D CB 0.202 40.971 40.800 -0.052 0.000 1.098 169 D HN 0.477 nan 8.370 nan 0.000 0.502 170 F N 1.957 121.848 119.950 -0.099 0.000 2.216 170 F HA -0.156 4.371 4.527 -0.000 0.000 0.300 170 F C 1.614 177.403 175.800 -0.019 0.000 1.085 170 F CA 1.113 59.074 58.000 -0.065 0.000 1.326 170 F CB 0.297 39.258 39.000 -0.065 0.000 1.027 170 F HN 0.207 nan 8.300 nan 0.000 0.497 171 D N 0.129 120.528 120.400 -0.002 0.000 2.097 171 D HA -0.140 4.500 4.640 -0.000 0.000 0.195 171 D C 2.412 178.660 176.300 -0.087 0.000 0.989 171 D CA 1.577 55.539 54.000 -0.064 0.000 0.827 171 D CB -0.735 40.063 40.800 -0.003 0.000 0.966 171 D HN 0.307 nan 8.370 nan 0.000 0.456 172 A N 0.841 123.635 122.820 -0.044 0.000 1.933 172 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 172 A C 2.082 179.659 177.584 -0.013 0.000 1.175 172 A CA 1.201 53.228 52.037 -0.017 0.000 0.628 172 A CB -0.672 18.333 19.000 0.009 0.000 0.814 172 A HN 0.275 nan 8.150 nan 0.000 0.444 173 L N 0.130 121.335 121.223 -0.031 0.000 1.989 173 L HA -0.125 4.215 4.340 -0.000 0.000 0.211 173 L C 2.163 178.953 176.870 -0.133 0.000 1.071 173 L CA 1.929 56.773 54.840 0.007 0.000 0.749 173 L CB -0.916 41.163 42.059 0.032 0.000 0.890 173 L HN 0.414 nan 8.230 nan 0.000 0.431 174 I N 0.159 120.558 120.570 -0.285 0.000 2.226 174 I HA -0.320 3.850 4.170 -0.000 0.000 0.245 174 I C 2.351 178.395 176.117 -0.123 0.000 1.100 174 I CA 1.783 62.935 61.300 -0.248 0.000 1.374 174 I CB -0.414 37.351 38.000 -0.393 0.000 1.057 174 I HN 0.535 nan 8.210 nan 0.000 0.413 175 N N 0.558 119.197 118.700 -0.101 0.000 2.120 175 N HA -0.216 4.523 4.740 -0.000 0.000 0.188 175 N C 1.957 177.441 175.510 -0.045 0.000 1.024 175 N CA 1.948 54.965 53.050 -0.054 0.000 0.852 175 N CB -0.082 38.384 38.487 -0.035 0.000 1.003 175 N HN 0.316 nan 8.380 nan 0.000 0.424 176 S N -0.396 115.283 115.700 -0.035 0.000 2.436 176 S HA 0.034 4.504 4.470 -0.000 0.000 0.228 176 S C 1.906 176.413 174.600 -0.155 0.000 1.014 176 S CA 0.266 58.460 58.200 -0.011 0.000 0.950 176 S CB -0.492 62.764 63.200 0.093 0.000 0.784 176 S HN 0.366 nan 8.310 nan 0.000 0.504 177 L N 1.260 122.330 121.223 -0.255 0.000 2.465 177 L HA 0.075 4.415 4.340 -0.000 0.000 0.224 177 L C 1.922 178.582 176.870 -0.351 0.000 1.145 177 L CA 0.527 55.037 54.840 -0.550 0.000 0.834 177 L CB -0.635 41.059 42.059 -0.609 0.000 0.944 177 L HN 0.318 nan 8.230 nan 0.000 0.451 178 N N 0.566 119.183 118.700 -0.138 0.000 2.364 178 N HA -0.198 4.542 4.740 -0.000 0.000 0.183 178 N C 1.582 177.050 175.510 -0.069 0.000 1.022 178 N CA 0.941 53.970 53.050 -0.035 0.000 0.883 178 N CB 0.078 38.557 38.487 -0.014 0.000 0.965 178 N HN 0.511 nan 8.380 nan 0.000 0.438 179 E N -0.729 119.372 120.200 -0.164 0.000 2.502 179 E HA 0.111 4.461 4.350 -0.000 0.000 0.194 179 E C 0.016 176.539 176.600 -0.128 0.000 1.062 179 E CA -0.087 56.269 56.400 -0.074 0.000 0.867 179 E CB 0.123 29.863 29.700 0.067 0.000 0.888 179 E HN 0.134 nan 8.360 nan 0.000 0.510 180 A N 1.661 124.177 122.820 -0.507 0.000 2.450 180 A HA 0.128 4.448 4.320 -0.000 0.000 0.255 180 A C -0.082 177.521 177.584 0.032 0.000 1.096 180 A CA -0.283 51.456 52.037 -0.495 0.000 0.778 180 A CB 0.361 18.589 19.000 -1.288 0.000 1.031 180 A HN 0.231 nan 8.150 nan 0.000 0.494 181 Q N 0.801 120.699 119.800 0.163 0.000 2.260 181 Q HA 0.517 4.857 4.340 -0.000 0.000 0.238 181 Q C 0.409 176.552 176.000 0.238 0.000 0.948 181 Q CA -0.357 55.556 55.803 0.183 0.000 0.895 181 Q CB 1.272 30.107 28.738 0.162 0.000 1.218 181 Q HN 0.926 nan 8.270 nan 0.000 0.470 182 A N 0.662 123.591 122.820 0.182 0.000 2.548 182 A HA 0.371 4.691 4.320 -0.000 0.000 0.247 182 A C 1.088 178.774 177.584 0.170 0.000 1.067 182 A CA 0.898 53.037 52.037 0.170 0.000 0.757 182 A CB -0.832 18.222 19.000 0.091 0.000 0.996 182 A HN 0.977 nan 8.150 nan 0.000 0.504 183 G N 2.238 111.157 108.800 0.199 0.000 2.176 183 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.232 183 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.232 183 G C -0.081 174.920 174.900 0.169 0.000 0.986 183 G CA 0.260 45.458 45.100 0.163 0.000 0.643 183 G HN 0.812 nan 8.290 nan 0.000 0.522 184 D N 0.157 120.686 120.400 0.216 0.000 2.339 184 D HA 0.485 5.125 4.640 -0.000 0.000 0.245 184 D C 0.701 177.108 176.300 0.177 0.000 1.115 184 D CA -0.121 54.003 54.000 0.207 0.000 0.917 184 D CB 1.703 42.689 40.800 0.309 0.000 1.192 184 D HN 0.135 nan 8.370 nan 0.000 0.428 185 V N 1.773 121.754 119.914 0.112 0.000 2.509 185 V HA 0.238 4.358 4.120 -0.000 0.000 0.284 185 V C 0.172 176.265 176.094 -0.001 0.000 1.047 185 V CA -0.576 61.754 62.300 0.050 0.000 0.952 185 V CB 1.656 33.446 31.823 -0.056 0.000 0.988 185 V HN 0.215 nan 8.190 nan 0.000 0.469 186 V N 6.287 126.148 119.914 -0.087 0.000 2.384 186 V HA 0.407 4.527 4.120 -0.000 0.000 0.287 186 V C -0.188 175.629 176.094 -0.463 0.000 1.020 186 V CA -0.542 61.553 62.300 -0.342 0.000 0.850 186 V CB 1.589 33.000 31.823 -0.686 0.000 0.987 186 V HN 0.708 nan 8.190 nan 0.000 0.436 187 L N 5.736 126.716 121.223 -0.405 0.000 2.290 187 L HA 0.597 4.937 4.340 -0.000 0.000 0.284 187 L C -1.108 175.457 176.870 -0.508 0.000 1.078 187 L CA 0.247 54.874 54.840 -0.355 0.000 0.815 187 L CB 0.429 42.359 42.059 -0.216 0.000 1.162 187 L HN 0.489 nan 8.230 nan 0.000 0.435 188 F N 2.434 122.246 119.950 -0.230 0.000 2.508 188 F HA 0.396 4.923 4.527 -0.000 0.000 0.325 188 F C -0.131 175.681 175.800 0.020 0.000 1.090 188 F CA -0.704 57.205 58.000 -0.153 0.000 0.945 188 F CB 1.171 39.770 39.000 -0.668 0.000 1.156 188 F HN 0.399 nan 8.300 nan 0.000 0.463 189 H N 1.054 120.308 119.070 0.306 0.000 2.742 189 H HA 0.269 4.825 4.556 -0.000 0.000 0.302 189 H C 1.164 176.788 175.328 0.495 0.000 1.069 189 H CA -0.111 56.148 56.048 0.352 0.000 1.446 189 H CB 1.115 31.080 29.762 0.338 0.000 1.462 189 H HN 0.806 nan 8.280 nan 0.000 0.499 190 G N 2.196 111.286 108.800 0.483 0.000 2.440 190 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.218 190 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.218 190 G C 0.283 175.415 174.900 0.387 0.000 1.154 190 G CA 1.124 46.323 45.100 0.165 0.000 0.767 190 G HN 0.803 nan 8.290 nan 0.000 0.552 191 C N -5.105 114.558 119.300 0.606 0.000 3.321 191 C HA 0.540 5.000 4.460 -0.000 0.000 0.329 191 C C 0.396 175.692 174.990 0.510 0.000 1.394 191 C CA -0.933 58.427 59.018 0.570 0.000 1.291 191 C CB 0.771 28.836 27.740 0.543 0.000 1.606 191 C HN 0.908 nan 8.230 nan 0.000 0.463 192 C N 2.264 121.786 119.300 0.371 0.000 3.896 192 C HA -0.128 4.331 4.460 -0.000 0.000 0.300 192 C C 0.577 175.695 174.990 0.213 0.000 1.322 192 C CA 1.112 60.246 59.018 0.193 0.000 2.130 192 C CB -3.379 24.364 27.740 0.004 0.000 1.363 192 C HN 1.241 nan 8.230 nan 0.000 0.642 193 H N 1.793 120.980 119.070 0.196 0.000 3.167 193 H HA 0.010 4.565 4.556 -0.000 0.000 0.306 193 H C 0.525 175.872 175.328 0.032 0.000 0.965 193 H CA 1.314 57.410 56.048 0.079 0.000 1.408 193 H CB 0.501 30.234 29.762 -0.049 0.000 1.406 193 H HN 0.697 nan 8.280 nan 0.000 0.576 194 N N 7.080 125.625 118.700 -0.259 0.000 2.437 194 N HA 0.149 4.889 4.740 -0.000 0.000 0.259 194 N C -2.215 173.038 175.510 -0.429 0.000 0.983 194 N CA -2.242 50.691 53.050 -0.194 0.000 0.937 194 N CB 1.475 39.962 38.487 0.000 0.000 1.122 194 N HN 0.417 nan 8.380 nan 0.000 0.499 195 P HA 0.145 nan 4.420 nan 0.000 0.282 195 P C 0.682 177.666 177.300 -0.528 0.000 1.327 195 P CA 0.198 63.004 63.100 -0.490 0.000 0.949 195 P CB 0.343 31.656 31.700 -0.646 0.000 1.445 196 T N -4.494 109.885 114.554 -0.292 0.000 3.014 196 T HA 0.191 4.541 4.350 -0.000 0.000 0.263 196 T C 1.725 176.402 174.700 -0.038 0.000 1.078 196 T CA 1.204 63.087 62.100 -0.363 0.000 1.135 196 T CB -1.212 67.490 68.868 -0.276 0.000 0.895 196 T HN 0.163 nan 8.240 nan 0.000 0.480 197 G N 1.387 110.244 108.800 0.095 0.000 2.184 197 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.264 197 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.264 197 G C 0.014 175.024 174.900 0.182 0.000 0.975 197 G CA 0.163 45.346 45.100 0.139 0.000 0.642 197 G HN 0.592 nan 8.290 nan 0.000 0.536 198 I N 1.681 122.369 120.570 0.198 0.000 2.321 198 I HA 0.435 4.605 4.170 -0.000 0.000 0.291 198 I C -0.584 175.658 176.117 0.208 0.000 0.998 198 I CA -0.793 60.612 61.300 0.175 0.000 1.227 198 I CB 1.236 39.317 38.000 0.135 0.000 1.368 198 I HN -0.045 nan 8.210 nan 0.000 0.466 199 D N 7.678 128.184 120.400 0.177 0.000 2.340 199 D HA 0.480 5.120 4.640 -0.000 0.000 0.240 199 D C -2.388 173.905 176.300 -0.010 0.000 1.001 199 D CA -1.336 52.781 54.000 0.195 0.000 0.888 199 D CB 1.774 42.763 40.800 0.315 0.000 1.310 199 D HN 0.176 nan 8.370 nan 0.000 0.474 200 P HA 0.079 nan 4.420 nan 0.000 0.269 200 P C 0.181 177.299 177.300 -0.303 0.000 1.209 200 P CA -0.185 62.602 63.100 -0.520 0.000 0.776 200 P CB 0.265 31.242 31.700 -1.206 0.000 0.876 201 T N -0.287 114.150 114.554 -0.196 0.000 2.726 201 T HA 0.076 4.426 4.350 -0.000 0.000 0.294 201 T C 1.338 176.111 174.700 0.121 0.000 1.013 201 T CA -0.623 61.468 62.100 -0.015 0.000 0.996 201 T CB 0.197 69.028 68.868 -0.063 0.000 1.016 201 T HN 0.237 nan 8.240 nan 0.000 0.529 202 L N 0.055 121.399 121.223 0.201 0.000 2.042 202 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 202 L C 2.753 179.737 176.870 0.190 0.000 1.076 202 L CA 1.948 56.947 54.840 0.265 0.000 0.749 202 L CB -0.585 41.569 42.059 0.159 0.000 0.893 202 L HN 0.764 nan 8.230 nan 0.000 0.432 203 E N -0.213 120.026 120.200 0.066 0.000 2.051 203 E HA -0.252 4.098 4.350 -0.000 0.000 0.192 203 E C 2.163 178.738 176.600 -0.042 0.000 0.991 203 E CA 1.247 57.652 56.400 0.008 0.000 0.799 203 E CB -0.151 29.523 29.700 -0.043 0.000 0.748 203 E HN 0.496 nan 8.360 nan 0.000 0.449 204 Q N -1.068 118.617 119.800 -0.191 0.000 2.084 204 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 204 Q C 1.976 177.970 176.000 -0.010 0.000 0.978 204 Q CA 1.384 56.936 55.803 -0.419 0.000 0.844 204 Q CB -0.289 27.982 28.738 -0.779 0.000 0.898 204 Q HN 0.430 nan 8.270 nan 0.000 0.426 205 W N 0.975 122.325 121.300 0.083 0.000 2.358 205 W HA -0.192 4.468 4.660 -0.000 0.000 0.303 205 W C 2.336 178.956 176.519 0.167 0.000 1.208 205 W CA 0.683 58.155 57.345 0.211 0.000 1.274 205 W CB 0.094 29.673 29.460 0.199 0.000 1.138 205 W HN 0.230 nan 8.180 nan 0.000 0.515 206 Q N -0.797 119.193 119.800 0.316 0.000 2.119 206 Q HA -0.152 4.188 4.340 -0.000 0.000 0.201 206 Q C 2.023 178.077 176.000 0.089 0.000 0.972 206 Q CA 1.916 57.806 55.803 0.145 0.000 0.847 206 Q CB -0.449 28.345 28.738 0.094 0.000 0.903 206 Q HN 0.176 nan 8.270 nan 0.000 0.433 207 T N 1.095 115.735 114.554 0.144 0.000 2.821 207 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 207 T C 1.800 176.611 174.700 0.185 0.000 1.046 207 T CA 0.739 62.938 62.100 0.166 0.000 1.139 207 T CB -0.099 68.932 68.868 0.272 0.000 0.871 207 T HN 0.168 nan 8.240 nan 0.000 0.454 208 L N 0.732 122.134 121.223 0.298 0.000 2.046 208 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 208 L C 3.023 179.894 176.870 0.001 0.000 1.077 208 L CA 1.184 56.227 54.840 0.339 0.000 0.747 208 L CB -0.622 41.783 42.059 0.577 0.000 0.896 208 L HN 0.235 nan 8.230 nan 0.000 0.432 209 A N -0.631 121.936 122.820 -0.423 0.000 1.933 209 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 209 A C 2.243 179.596 177.584 -0.384 0.000 1.175 209 A CA 1.871 53.327 52.037 -0.968 0.000 0.628 209 A CB -0.517 18.009 19.000 -0.790 0.000 0.814 209 A HN 0.484 nan 8.150 nan 0.000 0.444 210 Q N -0.652 119.012 119.800 -0.225 0.000 2.016 210 Q HA -0.101 4.239 4.340 -0.000 0.000 0.200 210 Q C 2.098 177.968 176.000 -0.217 0.000 0.978 210 Q CA 1.347 57.039 55.803 -0.185 0.000 0.833 210 Q CB -0.233 28.444 28.738 -0.102 0.000 0.895 210 Q HN 0.627 nan 8.270 nan 0.000 0.427 211 L N 0.192 121.305 121.223 -0.183 0.000 2.013 211 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 211 L C 2.573 179.061 176.870 -0.638 0.000 1.073 211 L CA 1.913 56.572 54.840 -0.303 0.000 0.753 211 L CB -0.635 41.331 42.059 -0.155 0.000 0.890 211 L HN 0.372 nan 8.230 nan 0.000 0.432 212 S N -1.022 114.374 115.700 -0.506 0.000 2.370 212 S HA -0.169 4.300 4.470 -0.000 0.000 0.226 212 S C 1.886 176.286 174.600 -0.333 0.000 1.033 212 S CA 1.554 59.475 58.200 -0.465 0.000 1.011 212 S CB -0.149 63.329 63.200 0.463 0.000 0.852 212 S HN 0.300 nan 8.310 nan 0.000 0.457 213 V N 1.779 121.498 119.914 -0.325 0.000 2.261 213 V HA -0.146 3.974 4.120 -0.000 0.000 0.246 213 V C 2.433 178.347 176.094 -0.301 0.000 1.047 213 V CA 2.176 64.252 62.300 -0.374 0.000 1.015 213 V CB -0.790 30.766 31.823 -0.446 0.000 0.642 213 V HN 0.555 nan 8.190 nan 0.000 0.446 214 E N -0.131 119.880 120.200 -0.315 0.000 2.085 214 E HA -0.281 4.069 4.350 -0.000 0.000 0.194 214 E C 2.097 178.525 176.600 -0.287 0.000 0.994 214 E CA 1.358 57.602 56.400 -0.259 0.000 0.801 214 E CB -0.135 29.425 29.700 -0.234 0.000 0.743 214 E HN 0.378 nan 8.360 nan 0.000 0.453 215 K N -0.800 119.309 120.400 -0.485 0.000 2.400 215 K HA 0.069 4.389 4.320 -0.000 0.000 0.194 215 K C 0.690 177.086 176.600 -0.340 0.000 1.033 215 K CA 0.618 56.601 56.287 -0.507 0.000 1.021 215 K CB 0.708 32.649 32.500 -0.932 0.000 0.808 215 K HN 0.237 nan 8.250 nan 0.000 0.505 216 G N 0.703 109.341 108.800 -0.269 0.000 2.198 216 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.257 216 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.257 216 G C -0.609 174.397 174.900 0.176 0.000 1.042 216 G CA -0.181 44.904 45.100 -0.025 0.000 0.791 216 G HN 0.070 nan 8.290 nan 0.000 0.502 217 W N -0.574 120.809 121.300 0.140 0.000 2.251 217 W HA 0.632 5.292 4.660 -0.000 0.000 0.329 217 W C 0.594 177.247 176.519 0.222 0.000 1.234 217 W CA -1.666 55.773 57.345 0.157 0.000 1.228 217 W CB 0.510 30.066 29.460 0.160 0.000 1.135 217 W HN 0.069 nan 8.180 nan 0.000 0.576 218 L N 6.003 127.474 121.223 0.413 0.000 2.261 218 L HA 0.291 4.631 4.340 -0.000 0.000 0.289 218 L C -2.062 174.996 176.870 0.312 0.000 1.059 218 L CA -1.727 53.309 54.840 0.326 0.000 0.816 218 L CB 1.022 43.223 42.059 0.237 0.000 1.191 218 L HN -0.035 nan 8.230 nan 0.000 0.431 219 P HA 0.123 nan 4.420 nan 0.000 0.271 219 P C -0.823 176.637 177.300 0.267 0.000 1.226 219 P CA 0.013 63.328 63.100 0.358 0.000 0.765 219 P CB 0.721 32.665 31.700 0.407 0.000 0.835 220 L N 4.892 126.204 121.223 0.148 0.000 2.316 220 L HA 0.464 4.804 4.340 -0.000 0.000 0.280 220 L C -0.950 175.968 176.870 0.080 0.000 1.006 220 L CA -0.859 54.068 54.840 0.146 0.000 0.836 220 L CB 0.312 42.406 42.059 0.059 0.000 1.221 220 L HN 0.206 nan 8.230 nan 0.000 0.418 221 F N 2.869 122.874 119.950 0.093 0.000 2.411 221 F HA 0.244 4.771 4.527 -0.000 0.000 0.350 221 F C 0.546 176.396 175.800 0.083 0.000 1.114 221 F CA -0.338 57.698 58.000 0.060 0.000 1.135 221 F CB 1.003 39.946 39.000 -0.095 0.000 1.120 221 F HN 0.379 nan 8.300 nan 0.000 0.495 222 D N 4.005 124.512 120.400 0.179 0.000 2.329 222 D HA 0.136 4.776 4.640 -0.000 0.000 0.232 222 D C -1.386 175.068 176.300 0.256 0.000 1.088 222 D CA -0.172 53.921 54.000 0.155 0.000 0.835 222 D CB 0.497 41.316 40.800 0.031 0.000 1.078 222 D HN 0.218 nan 8.370 nan 0.000 0.495 223 F N 3.793 123.764 119.950 0.035 0.000 2.550 223 F HA 0.479 5.006 4.527 -0.000 0.000 0.348 223 F C 0.371 176.109 175.800 -0.103 0.000 1.219 223 F CA -1.327 56.688 58.000 0.026 0.000 1.203 223 F CB 0.650 39.651 39.000 0.001 0.000 1.436 223 F HN 0.463 nan 8.300 nan 0.000 0.541 224 A N 2.685 125.471 122.820 -0.056 0.000 2.220 224 A HA 0.115 4.435 4.320 -0.000 0.000 0.211 224 A C 0.139 177.312 177.584 -0.685 0.000 1.176 224 A CA 0.546 52.293 52.037 -0.484 0.000 0.834 224 A CB -0.302 18.253 19.000 -0.742 0.000 0.868 224 A HN 0.531 nan 8.150 nan 0.000 0.488 225 Y N -0.176 120.103 120.300 -0.035 0.000 2.698 225 Y HA 0.296 4.846 4.550 -0.000 0.000 0.261 225 Y C 0.565 176.533 175.900 0.114 0.000 1.104 225 Y CA -0.728 57.423 58.100 0.086 0.000 1.145 225 Y CB -0.028 38.478 38.460 0.076 0.000 1.191 225 Y HN 0.336 nan 8.280 nan 0.000 0.564 226 Q N 1.027 120.697 119.800 -0.217 0.000 2.247 226 Q HA 0.278 4.617 4.340 -0.000 0.000 0.288 226 Q C 1.192 177.153 176.000 -0.065 0.000 1.079 226 Q CA 1.642 57.237 55.803 -0.346 0.000 0.932 226 Q CB 0.230 28.442 28.738 -0.878 0.000 1.133 226 Q HN 0.808 nan 8.270 nan 0.000 0.377 227 G N 3.273 112.061 108.800 -0.020 0.000 2.213 227 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.226 227 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.226 227 G C 0.186 174.936 174.900 -0.252 0.000 0.992 227 G CA 0.094 45.088 45.100 -0.177 0.000 0.632 227 G HN 0.657 nan 8.290 nan 0.000 0.511 228 F N 1.349 121.306 119.950 0.012 0.000 2.754 228 F HA 0.555 5.082 4.527 -0.000 0.000 0.297 228 F C 2.516 178.334 175.800 0.031 0.000 1.122 228 F CA 1.347 59.356 58.000 0.016 0.000 1.400 228 F CB 0.229 39.265 39.000 0.060 0.000 1.117 228 F HN 0.362 nan 8.300 nan 0.000 0.587 229 A N 0.212 123.161 122.820 0.214 0.000 1.864 229 A HA 0.129 4.449 4.320 -0.000 0.000 0.213 229 A C 2.104 179.751 177.584 0.105 0.000 1.266 229 A CA 0.843 52.983 52.037 0.172 0.000 0.612 229 A CB -0.090 19.038 19.000 0.215 0.000 0.940 229 A HN 0.226 nan 8.150 nan 0.000 0.463 230 R N -2.377 118.175 120.500 0.087 0.000 2.350 230 R HA 0.397 4.737 4.340 -0.000 0.000 0.199 230 R C 0.548 176.846 176.300 -0.004 0.000 0.876 230 R CA 0.627 56.754 56.100 0.046 0.000 1.062 230 R CB 1.243 31.584 30.300 0.068 0.000 1.263 230 R HN 0.639 nan 8.270 nan 0.000 0.641 234 E N 1.306 121.521 120.200 0.025 0.000 2.072 234 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 234 E C 1.596 178.227 176.600 0.051 0.000 0.982 234 E CA 1.445 57.867 56.400 0.037 0.000 0.803 234 E CB 0.141 29.853 29.700 0.020 0.000 0.755 234 E HN 0.450 nan 8.360 nan 0.000 0.453 235 E N 1.089 121.319 120.200 0.051 0.000 2.110 235 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 235 E C 1.609 178.274 176.600 0.108 0.000 0.988 235 E CA 1.223 57.664 56.400 0.069 0.000 0.804 235 E CB -0.096 29.641 29.700 0.063 0.000 0.745 235 E HN 0.159 nan 8.360 nan 0.000 0.458 236 D N -0.198 120.291 120.400 0.149 0.000 2.264 236 D HA -0.056 4.583 4.640 -0.000 0.000 0.208 236 D C 1.371 177.834 176.300 0.272 0.000 0.966 236 D CA 1.152 55.306 54.000 0.257 0.000 0.864 236 D CB -0.097 40.889 40.800 0.310 0.000 0.933 236 D HN 0.218 nan 8.370 nan 0.000 0.499 237 A N 0.206 123.143 122.820 0.195 0.000 2.251 237 A HA 0.016 4.336 4.320 -0.000 0.000 0.209 237 A C 1.820 179.301 177.584 -0.173 0.000 1.187 237 A CA 0.139 52.183 52.037 0.010 0.000 0.823 237 A CB -0.176 18.886 19.000 0.103 0.000 0.846 237 A HN 0.074 nan 8.150 nan 0.000 0.486 238 E N 0.009 120.150 120.200 -0.099 0.000 2.097 238 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 238 E C 2.098 178.531 176.600 -0.279 0.000 1.000 238 E CA 1.173 57.506 56.400 -0.110 0.000 0.804 238 E CB -0.270 29.429 29.700 -0.001 0.000 0.740 238 E HN 0.621 nan 8.360 nan 0.000 0.454 239 G N 1.325 109.757 108.800 -0.614 0.000 2.421 239 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.216 239 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.216 239 G C 1.523 175.859 174.900 -0.940 0.000 1.171 239 G CA 0.377 44.667 45.100 -1.350 0.000 0.775 239 G HN 0.170 nan 8.290 nan 0.000 0.543 240 L N -0.198 120.402 121.223 -1.038 0.000 2.012 240 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 240 L C 3.144 179.718 176.870 -0.494 0.000 1.073 240 L CA 1.506 55.630 54.840 -1.193 0.000 0.748 240 L CB -0.193 41.192 42.059 -1.124 0.000 0.891 240 L HN 0.169 nan 8.230 nan 0.000 0.431 241 R N -0.525 119.804 120.500 -0.285 0.000 2.115 241 R HA -0.099 4.241 4.340 -0.000 0.000 0.230 241 R C 2.292 178.575 176.300 -0.028 0.000 1.111 241 R CA 1.257 57.314 56.100 -0.072 0.000 0.976 241 R CB -0.395 29.886 30.300 -0.031 0.000 0.870 241 R HN 0.487 nan 8.270 nan 0.000 0.445 242 A N -0.012 122.788 122.820 -0.033 0.000 1.898 242 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 242 A C 1.794 179.433 177.584 0.093 0.000 1.181 242 A CA 1.103 53.166 52.037 0.044 0.000 0.620 242 A CB -0.558 18.497 19.000 0.092 0.000 0.819 242 A HN 0.219 nan 8.150 nan 0.000 0.442 243 F N 0.267 120.183 119.950 -0.056 0.000 2.134 243 F HA -0.106 4.421 4.527 -0.000 0.000 0.299 243 F C 2.783 178.642 175.800 0.098 0.000 1.097 243 F CA 1.087 59.127 58.000 0.066 0.000 1.264 243 F CB -0.549 38.432 39.000 -0.033 0.000 1.001 243 F HN 0.252 nan 8.300 nan 0.000 0.479 244 A N -0.396 122.509 122.820 0.142 0.000 2.015 244 A HA 0.014 4.334 4.320 -0.000 0.000 0.219 244 A C 2.282 179.879 177.584 0.020 0.000 1.163 244 A CA 1.406 53.474 52.037 0.051 0.000 0.646 244 A CB -1.148 17.839 19.000 -0.021 0.000 0.806 244 A HN 0.284 nan 8.150 nan 0.000 0.448 245 A N -1.553 121.282 122.820 0.025 0.000 2.168 245 A HA 0.133 4.453 4.320 -0.000 0.000 0.215 245 A C 1.971 179.547 177.584 -0.014 0.000 1.152 245 A CA 1.351 53.384 52.037 -0.006 0.000 0.716 245 A CB -0.249 18.746 19.000 -0.009 0.000 0.794 245 A HN 0.442 nan 8.150 nan 0.000 0.465 246 M N -1.650 117.959 119.600 0.015 0.000 2.538 246 M HA 0.194 4.673 4.480 -0.000 0.000 0.259 246 M C -0.203 176.004 176.300 -0.156 0.000 1.217 246 M CA 0.535 55.786 55.300 -0.081 0.000 1.131 246 M CB -0.270 32.245 32.600 -0.140 0.000 1.382 246 M HN 0.379 nan 8.290 nan 0.000 0.520 247 H N 0.260 119.323 119.070 -0.012 0.000 2.472 247 H HA 0.281 4.837 4.556 -0.000 0.000 0.338 247 H C 0.710 176.048 175.328 0.016 0.000 1.133 247 H CA -0.026 56.040 56.048 0.030 0.000 1.216 247 H CB 1.687 31.524 29.762 0.126 0.000 1.497 247 H HN -0.071 nan 8.280 nan 0.000 0.500 248 K N 1.175 121.641 120.400 0.110 0.000 2.062 248 K HA 0.000 4.320 4.320 -0.000 0.000 0.205 248 K C -0.230 176.438 176.600 0.113 0.000 1.051 248 K CA 1.098 57.432 56.287 0.077 0.000 0.941 248 K CB 0.350 32.882 32.500 0.052 0.000 0.719 248 K HN 0.618 nan 8.250 nan 0.000 0.440 249 E N 0.189 120.503 120.200 0.190 0.000 2.288 249 E HA 0.504 4.854 4.350 -0.000 0.000 0.268 249 E C -1.499 175.236 176.600 0.224 0.000 0.885 249 E CA -0.743 55.769 56.400 0.186 0.000 0.767 249 E CB 2.084 31.898 29.700 0.191 0.000 1.220 249 E HN -0.175 nan 8.360 nan 0.000 0.427 250 L N 1.857 123.197 121.223 0.194 0.000 2.724 250 L HA 0.490 4.830 4.340 -0.000 0.000 0.258 250 L C -1.837 175.162 176.870 0.216 0.000 0.967 250 L CA -0.236 54.730 54.840 0.210 0.000 0.891 250 L CB 2.009 44.177 42.059 0.181 0.000 1.456 250 L HN 0.563 nan 8.230 nan 0.000 0.416 251 I N 2.025 122.743 120.570 0.247 0.000 2.608 251 I HA 0.677 4.847 4.170 -0.000 0.000 0.295 251 I C -1.019 175.253 176.117 0.258 0.000 1.049 251 I CA -1.042 60.398 61.300 0.233 0.000 1.063 251 I CB 2.207 40.347 38.000 0.233 0.000 1.248 251 I HN 0.126 nan 8.210 nan 0.000 0.424 252 V N 4.512 124.558 119.914 0.220 0.000 2.444 252 V HA 0.606 4.726 4.120 -0.000 0.000 0.294 252 V C 0.066 176.265 176.094 0.175 0.000 1.022 252 V CA -0.626 61.796 62.300 0.204 0.000 0.850 252 V CB 1.589 33.481 31.823 0.115 0.000 0.992 252 V HN 0.814 nan 8.190 nan 0.000 0.426 253 A N 4.028 126.961 122.820 0.188 0.000 2.280 253 A HA 0.775 5.095 4.320 -0.000 0.000 0.320 253 A C 0.335 177.980 177.584 0.103 0.000 1.366 253 A CA -0.295 51.831 52.037 0.149 0.000 0.938 253 A CB 0.470 19.575 19.000 0.174 0.000 1.157 253 A HN 0.992 nan 8.150 nan 0.000 0.536 254 S N 1.563 117.278 115.700 0.024 0.000 2.621 254 S HA 0.849 5.319 4.470 -0.000 0.000 0.302 254 S C -0.117 174.344 174.600 -0.231 0.000 1.093 254 S CA -0.487 57.649 58.200 -0.107 0.000 1.017 254 S CB 1.764 64.847 63.200 -0.196 0.000 1.077 254 S HN 1.096 nan 8.310 nan 0.000 0.517 255 S N -0.115 115.355 115.700 -0.384 0.000 2.548 255 S HA 0.615 5.085 4.470 -0.000 0.000 0.286 255 S C -1.424 172.872 174.600 -0.507 0.000 1.098 255 S CA -0.604 57.383 58.200 -0.355 0.000 0.930 255 S CB 0.827 63.864 63.200 -0.272 0.000 1.070 255 S HN 0.692 nan 8.310 nan 0.000 0.480 256 Y N 1.603 121.870 120.300 -0.056 0.000 2.584 256 Y HA 0.405 4.955 4.550 -0.000 0.000 0.254 256 Y C 1.410 177.297 175.900 -0.022 0.000 1.177 256 Y CA -0.372 57.735 58.100 0.011 0.000 1.216 256 Y CB 0.126 38.529 38.460 -0.096 0.000 1.172 256 Y HN 0.458 nan 8.280 nan 0.000 0.529 260 F N 1.421 121.483 119.950 0.188 0.000 2.682 260 F HA 0.571 5.097 4.527 -0.000 0.000 0.308 260 F C 1.618 177.400 175.800 -0.032 0.000 1.093 260 F CA 0.262 58.333 58.000 0.119 0.000 1.244 260 F CB 0.785 39.759 39.000 -0.045 0.000 1.052 260 F HN 0.227 nan 8.300 nan 0.000 0.573 261 G N 1.466 110.235 108.800 -0.053 0.000 2.305 261 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.287 261 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.287 261 G C 0.545 175.279 174.900 -0.278 0.000 1.036 261 G CA 0.370 45.311 45.100 -0.265 0.000 0.887 261 G HN 0.440 nan 8.290 nan 0.000 0.505 262 L N -0.505 120.533 121.223 -0.308 0.000 2.928 262 L HA 0.265 4.605 4.340 -0.000 0.000 0.246 262 L C 2.148 178.970 176.870 -0.081 0.000 1.239 262 L CA -0.755 54.023 54.840 -0.105 0.000 1.035 262 L CB -0.290 41.747 42.059 -0.037 0.000 1.360 262 L HN 0.347 nan 8.230 nan 0.000 0.529 263 Y N 0.803 121.136 120.300 0.055 0.000 2.003 263 Y HA -0.415 4.135 4.550 -0.000 0.000 0.261 263 Y C 2.472 178.381 175.900 0.015 0.000 1.211 263 Y CA 2.079 60.193 58.100 0.024 0.000 1.098 263 Y CB -0.883 37.583 38.460 0.010 0.000 0.925 263 Y HN 0.541 nan 8.280 nan 0.000 0.498 264 N N -0.313 118.506 118.700 0.197 0.000 2.515 264 N HA -0.102 4.638 4.740 -0.000 0.000 0.185 264 N C 0.825 176.369 175.510 0.058 0.000 1.109 264 N CA 1.049 54.162 53.050 0.105 0.000 0.903 264 N CB -0.375 38.163 38.487 0.085 0.000 0.969 264 N HN 0.406 nan 8.380 nan 0.000 0.450 265 E N 0.506 120.739 120.200 0.054 0.000 2.447 265 E HA 0.055 4.405 4.350 -0.000 0.000 0.195 265 E C -0.234 176.359 176.600 -0.013 0.000 1.028 265 E CA -0.014 56.404 56.400 0.030 0.000 0.876 265 E CB 0.085 29.815 29.700 0.050 0.000 0.885 265 E HN 0.163 nan 8.360 nan 0.000 0.500 266 R N -0.254 120.242 120.500 -0.007 0.000 2.983 266 R HA -0.108 4.232 4.340 -0.000 0.000 0.272 266 R C -0.922 175.346 176.300 -0.054 0.000 0.926 266 R CA 0.190 56.271 56.100 -0.032 0.000 0.667 266 R CB -3.024 27.238 30.300 -0.063 0.000 1.540 266 R HN -0.077 nan 8.270 nan 0.000 0.467 267 V N 0.491 120.397 119.914 -0.013 0.000 2.376 267 V HA 0.881 5.001 4.120 -0.000 0.000 0.287 267 V C 1.024 177.222 176.094 0.174 0.000 1.015 267 V CA 0.033 62.349 62.300 0.027 0.000 0.834 267 V CB 2.073 33.904 31.823 0.013 0.000 1.001 267 V HN 0.732 nan 8.190 nan 0.000 0.428 268 G N 2.832 111.750 108.800 0.197 0.000 2.749 268 G HA2 0.933 4.893 3.960 -0.000 0.000 0.300 268 G HA3 0.933 4.893 3.960 -0.000 0.000 0.300 268 G C -1.462 173.623 174.900 0.308 0.000 1.352 268 G CA -0.175 45.036 45.100 0.184 0.000 0.789 268 G HN 1.164 nan 8.290 nan 0.000 0.509 269 A N -1.648 121.288 122.820 0.192 0.000 2.547 269 A HA 0.609 4.929 4.320 -0.000 0.000 0.297 269 A C -1.196 176.483 177.584 0.158 0.000 1.056 269 A CA -0.303 51.879 52.037 0.241 0.000 0.688 269 A CB 1.337 20.476 19.000 0.231 0.000 1.282 269 A HN 1.780 nan 8.150 nan 0.000 0.400 270 C N 1.955 121.369 119.300 0.190 0.000 2.281 270 C HA 0.803 5.263 4.460 -0.000 0.000 0.323 270 C C 0.080 175.178 174.990 0.180 0.000 1.270 270 C CA 0.108 59.233 59.018 0.178 0.000 1.559 270 C CB -0.379 27.472 27.740 0.185 0.000 2.239 270 C HN 0.801 nan 8.230 nan 0.000 0.488 271 T N 7.062 121.705 114.554 0.148 0.000 2.779 271 T HA 0.410 4.760 4.350 -0.000 0.000 0.280 271 T C -0.568 174.212 174.700 0.134 0.000 0.987 271 T CA -0.196 61.983 62.100 0.131 0.000 0.966 271 T CB 0.977 69.926 68.868 0.135 0.000 0.933 271 T HN 0.645 nan 8.240 nan 0.000 0.442 272 L N 4.339 125.608 121.223 0.075 0.000 2.295 272 L HA 0.680 5.020 4.340 -0.000 0.000 0.285 272 L C -0.927 175.965 176.870 0.038 0.000 1.035 272 L CA -0.759 54.114 54.840 0.056 0.000 0.806 272 L CB 1.286 43.354 42.059 0.015 0.000 1.214 272 L HN 0.379 nan 8.230 nan 0.000 0.426 273 V N 3.993 123.948 119.914 0.068 0.000 2.495 273 V HA 0.792 4.912 4.120 -0.000 0.000 0.298 273 V C 0.061 176.184 176.094 0.048 0.000 1.031 273 V CA -0.431 61.878 62.300 0.015 0.000 0.871 273 V CB 1.460 33.267 31.823 -0.027 0.000 0.988 273 V HN 0.913 nan 8.190 nan 0.000 0.432 274 A N 3.191 126.025 122.820 0.023 0.000 2.483 274 A HA 0.922 5.241 4.320 -0.000 0.000 0.286 274 A C 1.083 178.681 177.584 0.022 0.000 1.207 274 A CA 0.075 52.143 52.037 0.052 0.000 0.764 274 A CB 1.178 20.221 19.000 0.072 0.000 1.341 274 A HN 1.137 nan 8.150 nan 0.000 0.428 275 A N -0.580 122.260 122.820 0.033 0.000 1.972 275 A HA 0.257 4.577 4.320 -0.000 0.000 0.219 275 A C 0.579 178.163 177.584 -0.001 0.000 1.169 275 A CA 2.364 54.410 52.037 0.016 0.000 0.635 275 A CB -0.694 18.320 19.000 0.023 0.000 0.810 275 A HN 1.078 nan 8.150 nan 0.000 0.446 276 D N -4.780 115.623 120.400 0.004 0.000 2.643 276 D HA 0.341 4.980 4.640 -0.000 0.000 0.283 276 D C 0.500 176.799 176.300 -0.002 0.000 1.242 276 D CA 0.114 54.112 54.000 -0.004 0.000 0.863 276 D CB 0.431 41.232 40.800 0.001 0.000 1.382 276 D HN -0.196 nan 8.370 nan 0.000 0.444 277 S N -1.030 114.666 115.700 -0.007 0.000 2.353 277 S HA -0.208 4.262 4.470 -0.000 0.000 0.222 277 S C 1.442 176.049 174.600 0.013 0.000 1.035 277 S CA 1.643 59.840 58.200 -0.005 0.000 1.025 277 S CB -0.424 62.771 63.200 -0.007 0.000 0.902 277 S HN 0.551 nan 8.310 nan 0.000 0.440 278 E N 0.375 120.586 120.200 0.019 0.000 2.085 278 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 278 E C 1.981 178.608 176.600 0.046 0.000 0.994 278 E CA 1.739 58.158 56.400 0.031 0.000 0.801 278 E CB -0.622 29.095 29.700 0.027 0.000 0.743 278 E HN 0.515 nan 8.360 nan 0.000 0.453 279 T N 0.851 115.432 114.554 0.045 0.000 2.708 279 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 279 T C 1.940 176.689 174.700 0.082 0.000 1.037 279 T CA 1.381 63.519 62.100 0.065 0.000 1.146 279 T CB -0.483 68.421 68.868 0.061 0.000 0.865 279 T HN 0.069 nan 8.240 nan 0.000 0.435 280 V N 1.843 121.793 119.914 0.059 0.000 2.427 280 V HA -0.163 3.957 4.120 -0.000 0.000 0.248 280 V C 1.970 178.122 176.094 0.096 0.000 1.051 280 V CA 1.945 64.281 62.300 0.061 0.000 1.048 280 V CB -0.545 31.277 31.823 -0.001 0.000 0.666 280 V HN 0.378 nan 8.190 nan 0.000 0.456 281 D N -0.481 119.968 120.400 0.081 0.000 2.144 281 D HA -0.137 4.502 4.640 -0.000 0.000 0.199 281 D C 2.352 178.744 176.300 0.153 0.000 0.984 281 D CA 1.161 55.233 54.000 0.120 0.000 0.834 281 D CB -0.273 40.574 40.800 0.078 0.000 0.955 281 D HN 0.370 nan 8.370 nan 0.000 0.465 282 R N 0.288 120.861 120.500 0.121 0.000 2.070 282 R HA -0.037 4.303 4.340 -0.000 0.000 0.233 282 R C 2.159 178.554 176.300 0.158 0.000 1.137 282 R CA 1.304 57.476 56.100 0.119 0.000 0.945 282 R CB -0.190 30.169 30.300 0.098 0.000 0.845 282 R HN 0.116 nan 8.270 nan 0.000 0.430 283 A N 0.077 123.013 122.820 0.193 0.000 1.930 283 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 283 A C 1.887 179.605 177.584 0.225 0.000 1.175 283 A CA 0.980 53.185 52.037 0.280 0.000 0.627 283 A CB -0.589 18.604 19.000 0.322 0.000 0.815 283 A HN 0.405 nan 8.150 nan 0.000 0.443 284 F N 1.884 121.832 119.950 -0.003 0.000 2.293 284 F HA -0.135 4.392 4.527 -0.000 0.000 0.300 284 F C 2.662 178.456 175.800 -0.010 0.000 1.086 284 F CA 1.394 59.353 58.000 -0.067 0.000 1.375 284 F CB -0.227 38.747 39.000 -0.044 0.000 1.045 284 F HN 0.334 nan 8.300 nan 0.000 0.516 285 S N -0.715 115.017 115.700 0.053 0.000 2.399 285 S HA -0.203 4.267 4.470 -0.000 0.000 0.231 285 S C 1.836 176.408 174.600 -0.046 0.000 1.022 285 S CA 0.960 59.144 58.200 -0.027 0.000 0.983 285 S CB -0.526 62.698 63.200 0.040 0.000 0.803 285 S HN 0.462 nan 8.310 nan 0.000 0.480 286 Q N 0.469 120.300 119.800 0.051 0.000 2.187 286 Q HA 0.145 4.485 4.340 -0.000 0.000 0.199 286 Q C 2.114 178.184 176.000 0.117 0.000 0.957 286 Q CA 1.058 56.933 55.803 0.120 0.000 0.857 286 Q CB -0.395 28.488 28.738 0.243 0.000 0.929 286 Q HN 0.737 nan 8.270 nan 0.000 0.453 287 M N 0.688 120.278 119.600 -0.016 0.000 2.132 287 M HA -0.177 4.303 4.480 -0.000 0.000 0.263 287 M C 1.710 177.838 176.300 -0.287 0.000 1.065 287 M CA 1.536 56.726 55.300 -0.184 0.000 1.122 287 M CB 0.124 32.432 32.600 -0.486 0.000 1.365 287 M HN -0.053 nan 8.290 nan 0.000 0.411 288 K N 0.241 120.371 120.400 -0.450 0.000 2.057 288 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 288 K C 2.008 178.482 176.600 -0.209 0.000 1.049 288 K CA 1.407 57.467 56.287 -0.379 0.000 0.931 288 K CB -0.337 31.925 32.500 -0.397 0.000 0.714 288 K HN 0.459 nan 8.250 nan 0.000 0.440 289 A N 1.476 124.214 122.820 -0.137 0.000 1.908 289 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 289 A C 2.366 179.902 177.584 -0.080 0.000 1.181 289 A CA 2.015 54.001 52.037 -0.085 0.000 0.627 289 A CB -0.813 18.164 19.000 -0.038 0.000 0.818 289 A HN 0.349 nan 8.150 nan 0.000 0.445 290 A N -0.275 122.514 122.820 -0.051 0.000 1.933 290 A HA -0.073 4.246 4.320 -0.000 0.000 0.218 290 A C 2.116 179.633 177.584 -0.112 0.000 1.175 290 A CA 1.545 53.563 52.037 -0.032 0.000 0.628 290 A CB -0.567 18.464 19.000 0.052 0.000 0.814 290 A HN 0.513 nan 8.150 nan 0.000 0.444 291 I N -1.062 119.396 120.570 -0.186 0.000 2.252 291 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 291 I C 2.678 178.533 176.117 -0.437 0.000 1.102 291 I CA 1.381 62.453 61.300 -0.379 0.000 1.385 291 I CB -0.309 37.480 38.000 -0.351 0.000 1.064 291 I HN 0.371 nan 8.210 nan 0.000 0.414 292 R N 1.133 121.469 120.500 -0.273 0.000 2.091 292 R HA -0.207 4.133 4.340 -0.000 0.000 0.238 292 R C 1.024 177.215 176.300 -0.182 0.000 1.136 292 R CA 1.966 57.936 56.100 -0.217 0.000 0.959 292 R CB -0.226 29.984 30.300 -0.151 0.000 0.856 292 R HN 0.298 nan 8.270 nan 0.000 0.437 293 D N -0.080 120.234 120.400 -0.144 0.000 2.336 293 D HA -0.036 4.604 4.640 -0.000 0.000 0.229 293 D C 0.657 176.905 176.300 -0.087 0.000 1.061 293 D CA 0.299 54.243 54.000 -0.094 0.000 0.875 293 D CB 0.085 40.850 40.800 -0.058 0.000 0.904 293 D HN 0.252 nan 8.370 nan 0.000 0.525 294 N N 0.156 118.763 118.700 -0.155 0.000 2.604 294 N HA -0.069 4.671 4.740 -0.000 0.000 0.234 294 N C 0.817 176.295 175.510 -0.053 0.000 1.064 294 N CA 0.484 53.476 53.050 -0.097 0.000 1.202 294 N CB 0.053 38.475 38.487 -0.108 0.000 1.575 294 N HN 0.138 nan 8.380 nan 0.000 0.619 295 Y N -1.227 119.071 120.300 -0.003 0.000 2.500 295 Y HA 0.548 5.098 4.550 -0.000 0.000 0.246 295 Y C 1.301 177.198 175.900 -0.005 0.000 1.146 295 Y CA 0.460 58.560 58.100 0.001 0.000 1.230 295 Y CB -0.044 38.420 38.460 0.007 0.000 1.214 295 Y HN 0.211 nan 8.280 nan 0.000 0.526 296 S N 0.712 116.236 115.700 -0.294 0.000 1.476 296 S HA -0.267 4.203 4.470 -0.000 0.000 0.242 296 S C 0.380 174.893 174.600 -0.145 0.000 0.711 296 S CA 1.702 59.784 58.200 -0.196 0.000 1.268 296 S CB -1.875 61.261 63.200 -0.107 0.000 1.523 296 S HN 1.355 nan 8.310 nan 0.000 0.510 297 S N 1.694 117.433 115.700 0.066 0.000 2.570 297 S HA 0.798 5.268 4.470 -0.000 0.000 0.270 297 S C -3.358 171.453 174.600 0.353 0.000 1.149 297 S CA -0.744 57.554 58.200 0.163 0.000 0.837 297 S CB 2.522 65.788 63.200 0.112 0.000 1.124 297 S HN 0.581 nan 8.310 nan 0.000 0.465 298 P HA 0.513 nan 4.420 nan 0.000 0.281 298 P C -2.865 174.442 177.300 0.011 0.000 1.264 298 P CA -1.879 61.287 63.100 0.111 0.000 0.824 298 P CB -0.317 31.406 31.700 0.038 0.000 1.092 299 P HA 0.132 nan 4.420 nan 0.000 0.276 299 P C 0.306 177.554 177.300 -0.086 0.000 1.235 299 P CA -0.074 62.993 63.100 -0.055 0.000 0.772 299 P CB 0.776 32.435 31.700 -0.069 0.000 0.871 300 A N 3.156 125.945 122.820 -0.053 0.000 1.898 300 A HA -0.180 4.140 4.320 -0.000 0.000 0.214 300 A C 2.241 179.776 177.584 -0.081 0.000 1.183 300 A CA 1.069 53.059 52.037 -0.077 0.000 0.622 300 A CB -1.539 17.437 19.000 -0.041 0.000 0.824 300 A HN 0.745 nan 8.150 nan 0.000 0.444 301 H N -0.100 118.903 119.070 -0.112 0.000 2.267 301 H HA -0.156 4.400 4.556 -0.000 0.000 0.297 301 H C 2.325 177.577 175.328 -0.126 0.000 1.080 301 H CA 2.082 58.071 56.048 -0.099 0.000 1.278 301 H CB -0.444 29.274 29.762 -0.073 0.000 1.365 301 H HN 0.407 nan 8.280 nan 0.000 0.489 302 G N 0.043 108.769 108.800 -0.125 0.000 2.440 302 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 302 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 302 G C 1.932 176.637 174.900 -0.325 0.000 1.154 302 G CA 1.221 46.192 45.100 -0.215 0.000 0.767 302 G HN 0.584 nan 8.290 nan 0.000 0.552 303 A N 0.826 123.431 122.820 -0.358 0.000 1.930 303 A HA 0.046 4.366 4.320 -0.000 0.000 0.217 303 A C 2.694 180.082 177.584 -0.328 0.000 1.175 303 A CA 2.176 53.905 52.037 -0.512 0.000 0.627 303 A CB -0.489 17.943 19.000 -0.948 0.000 0.815 303 A HN 0.339 nan 8.150 nan 0.000 0.443 304 S N -0.162 115.374 115.700 -0.274 0.000 2.382 304 S HA -0.126 4.344 4.470 -0.000 0.000 0.228 304 S C 1.826 176.288 174.600 -0.230 0.000 1.027 304 S CA 1.301 59.384 58.200 -0.195 0.000 0.991 304 S CB -0.586 62.528 63.200 -0.142 0.000 0.823 304 S HN 0.321 nan 8.310 nan 0.000 0.469 305 V N 1.726 121.440 119.914 -0.332 0.000 2.287 305 V HA -0.172 3.948 4.120 -0.000 0.000 0.248 305 V C 2.390 178.256 176.094 -0.380 0.000 1.053 305 V CA 1.588 63.693 62.300 -0.325 0.000 1.027 305 V CB -0.738 30.868 31.823 -0.362 0.000 0.646 305 V HN 0.360 nan 8.190 nan 0.000 0.447 306 V N 0.085 119.666 119.914 -0.554 0.000 2.295 306 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 306 V C 2.677 178.444 176.094 -0.545 0.000 1.049 306 V CA 2.068 63.824 62.300 -0.906 0.000 1.024 306 V CB -1.097 29.996 31.823 -1.217 0.000 0.648 306 V HN 0.570 nan 8.190 nan 0.000 0.447 307 A N -0.603 122.048 122.820 -0.280 0.000 1.933 307 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 307 A C 2.384 179.862 177.584 -0.177 0.000 1.175 307 A CA 2.456 54.388 52.037 -0.176 0.000 0.628 307 A CB -0.900 18.081 19.000 -0.032 0.000 0.814 307 A HN 0.503 nan 8.150 nan 0.000 0.444 308 T N 0.167 114.616 114.554 -0.176 0.000 2.777 308 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 308 T C 1.792 176.383 174.700 -0.181 0.000 1.040 308 T CA 1.453 63.455 62.100 -0.164 0.000 1.141 308 T CB -0.355 68.432 68.868 -0.135 0.000 0.868 308 T HN 0.427 nan 8.240 nan 0.000 0.444 309 I N 0.732 121.190 120.570 -0.186 0.000 2.133 309 I HA -0.115 4.055 4.170 -0.000 0.000 0.238 309 I C 2.188 178.219 176.117 -0.144 0.000 1.074 309 I CA 1.272 62.488 61.300 -0.140 0.000 1.342 309 I CB -0.344 37.600 38.000 -0.092 0.000 1.053 309 I HN 0.176 nan 8.210 nan 0.000 0.404 310 L N 0.315 121.407 121.223 -0.219 0.000 2.265 310 L HA -0.149 4.191 4.340 -0.000 0.000 0.215 310 L C 2.290 179.093 176.870 -0.111 0.000 1.117 310 L CA 1.371 56.103 54.840 -0.181 0.000 0.782 310 L CB -0.552 41.351 42.059 -0.261 0.000 0.914 310 L HN 0.377 nan 8.230 nan 0.000 0.441 311 S N -2.407 113.221 115.700 -0.119 0.000 2.540 311 S HA 0.036 4.506 4.470 -0.000 0.000 0.218 311 S C 0.444 174.994 174.600 -0.083 0.000 0.977 311 S CA -0.561 57.586 58.200 -0.089 0.000 0.918 311 S CB -0.337 62.811 63.200 -0.086 0.000 0.806 311 S HN 0.395 nan 8.310 nan 0.000 0.496 312 N N 0.882 119.527 118.700 -0.091 0.000 2.407 312 N HA 0.311 5.051 4.740 -0.000 0.000 0.277 312 N C 0.031 175.511 175.510 -0.051 0.000 0.995 312 N CA -0.420 52.576 53.050 -0.089 0.000 0.903 312 N CB 1.357 39.760 38.487 -0.141 0.000 1.218 312 N HN -0.186 nan 8.380 nan 0.000 0.487 313 D N 2.451 122.828 120.400 -0.038 0.000 2.116 313 D HA -0.202 4.438 4.640 -0.000 0.000 0.193 313 D C 1.606 177.899 176.300 -0.011 0.000 0.998 313 D CA 1.613 55.602 54.000 -0.018 0.000 0.836 313 D CB -0.260 40.530 40.800 -0.018 0.000 0.951 313 D HN 0.677 nan 8.370 nan 0.000 0.449 314 A N 0.603 123.409 122.820 -0.023 0.000 1.873 314 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 314 A C 2.470 180.051 177.584 -0.004 0.000 1.186 314 A CA 0.890 52.917 52.037 -0.017 0.000 0.616 314 A CB -0.812 18.173 19.000 -0.025 0.000 0.823 314 A HN 0.200 nan 8.150 nan 0.000 0.442 315 L N -1.161 120.054 121.223 -0.015 0.000 2.083 315 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 315 L C 2.830 179.745 176.870 0.075 0.000 1.083 315 L CA 1.621 56.468 54.840 0.011 0.000 0.752 315 L CB -0.449 41.591 42.059 -0.032 0.000 0.899 315 L HN 0.451 nan 8.230 nan 0.000 0.433 316 R N 0.200 120.743 120.500 0.071 0.000 2.092 316 R HA -0.160 4.180 4.340 -0.000 0.000 0.231 316 R C 2.346 178.751 176.300 0.175 0.000 1.119 316 R CA 1.308 57.512 56.100 0.173 0.000 0.970 316 R CB -0.174 30.195 30.300 0.115 0.000 0.864 316 R HN 0.338 nan 8.270 nan 0.000 0.440 317 A N 1.103 123.963 122.820 0.067 0.000 1.883 317 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 317 A C 2.125 179.701 177.584 -0.013 0.000 1.186 317 A CA 1.459 53.502 52.037 0.011 0.000 0.624 317 A CB -0.500 18.496 19.000 -0.007 0.000 0.822 317 A HN 0.335 nan 8.150 nan 0.000 0.444 318 I N -2.415 118.164 120.570 0.015 0.000 2.179 318 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 318 I C 2.412 178.519 176.117 -0.016 0.000 1.088 318 I CA 1.684 62.982 61.300 -0.003 0.000 1.357 318 I CB -0.350 37.661 38.000 0.019 0.000 1.051 318 I HN 0.745 nan 8.210 nan 0.000 0.409 319 W N 2.234 123.450 121.300 -0.140 0.000 2.335 319 W HA -0.209 4.451 4.660 -0.000 0.000 0.311 319 W C 2.332 178.689 176.519 -0.269 0.000 1.213 319 W CA 1.602 58.811 57.345 -0.226 0.000 1.274 319 W CB -0.294 29.006 29.460 -0.266 0.000 1.148 319 W HN 0.056 nan 8.180 nan 0.000 0.498 320 E N -0.249 119.620 120.200 -0.551 0.000 2.118 320 E HA -0.328 4.022 4.350 -0.000 0.000 0.195 320 E C 2.016 178.249 176.600 -0.613 0.000 0.992 320 E CA 1.620 57.514 56.400 -0.844 0.000 0.804 320 E CB -0.311 29.142 29.700 -0.412 0.000 0.741 320 E HN 0.262 nan 8.360 nan 0.000 0.458 321 Q N 1.189 120.762 119.800 -0.378 0.000 2.079 321 Q HA -0.157 4.183 4.340 -0.000 0.000 0.200 321 Q C 1.595 177.401 176.000 -0.323 0.000 0.974 321 Q CA 1.496 57.127 55.803 -0.287 0.000 0.840 321 Q CB 0.050 28.684 28.738 -0.173 0.000 0.898 321 Q HN 0.267 nan 8.270 nan 0.000 0.430 322 E N -0.416 119.574 120.200 -0.348 0.000 2.085 322 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 322 E C 1.834 178.151 176.600 -0.471 0.000 0.994 322 E CA 1.132 57.336 56.400 -0.326 0.000 0.801 322 E CB -0.210 29.342 29.700 -0.246 0.000 0.743 322 E HN 0.276 nan 8.360 nan 0.000 0.453 323 L N 1.051 121.841 121.223 -0.721 0.000 2.017 323 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 323 L C 2.237 178.722 176.870 -0.642 0.000 1.073 323 L CA 1.958 56.311 54.840 -0.812 0.000 0.745 323 L CB -0.867 40.515 42.059 -1.128 0.000 0.894 323 L HN 0.022 nan 8.230 nan 0.000 0.432 324 T N -0.226 114.015 114.554 -0.522 0.000 2.665 324 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 324 T C 1.493 176.031 174.700 -0.269 0.000 1.035 324 T CA 1.654 63.541 62.100 -0.354 0.000 1.151 324 T CB -0.413 68.285 68.868 -0.282 0.000 0.862 324 T HN 0.412 nan 8.240 nan 0.000 0.438 325 D N 0.846 121.095 120.400 -0.251 0.000 2.104 325 D HA -0.068 4.572 4.640 -0.000 0.000 0.194 325 D C 2.112 178.325 176.300 -0.145 0.000 0.994 325 D CA 1.138 55.043 54.000 -0.159 0.000 0.830 325 D CB -0.329 40.392 40.800 -0.131 0.000 0.959 325 D HN 0.399 nan 8.370 nan 0.000 0.452 326 M N -0.070 119.348 119.600 -0.303 0.000 2.067 326 M HA -0.133 4.346 4.480 -0.000 0.000 0.260 326 M C 2.392 178.638 176.300 -0.090 0.000 1.069 326 M CA 1.171 56.240 55.300 -0.384 0.000 1.117 326 M CB -0.240 31.874 32.600 -0.810 0.000 1.334 326 M HN -0.081 nan 8.290 nan 0.000 0.407 327 R N 0.609 120.970 120.500 -0.232 0.000 2.096 327 R HA -0.225 4.115 4.340 -0.000 0.000 0.240 327 R C 2.009 178.308 176.300 -0.002 0.000 1.139 327 R CA 2.048 58.093 56.100 -0.091 0.000 0.952 327 R CB -0.203 29.965 30.300 -0.221 0.000 0.854 327 R HN 0.501 nan 8.270 nan 0.000 0.436 328 Q N -0.588 119.188 119.800 -0.039 0.000 2.172 328 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 328 Q C 2.231 178.255 176.000 0.040 0.000 0.964 328 Q CA 1.114 56.913 55.803 -0.006 0.000 0.855 328 Q CB -0.074 28.645 28.738 -0.031 0.000 0.918 328 Q HN 0.316 nan 8.270 nan 0.000 0.444 329 R N 0.757 121.305 120.500 0.081 0.000 2.081 329 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 329 R C 2.097 178.468 176.300 0.119 0.000 1.131 329 R CA 1.103 57.277 56.100 0.123 0.000 0.960 329 R CB -0.134 30.300 30.300 0.223 0.000 0.856 329 R HN 0.237 nan 8.270 nan 0.000 0.436 330 I N 0.852 121.520 120.570 0.163 0.000 2.226 330 I HA -0.319 3.851 4.170 -0.000 0.000 0.245 330 I C 2.379 178.536 176.117 0.067 0.000 1.100 330 I CA 1.490 62.862 61.300 0.119 0.000 1.374 330 I CB -0.277 37.822 38.000 0.164 0.000 1.057 330 I HN 0.292 nan 8.210 nan 0.000 0.413 331 Q N 0.280 120.120 119.800 0.066 0.000 2.124 331 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 331 Q C 2.370 178.395 176.000 0.041 0.000 0.977 331 Q CA 1.298 57.131 55.803 0.049 0.000 0.850 331 Q CB -0.211 28.551 28.738 0.040 0.000 0.901 331 Q HN 0.472 nan 8.270 nan 0.000 0.429 332 R N -0.168 120.355 120.500 0.039 0.000 2.081 332 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 332 R C 2.212 178.532 176.300 0.032 0.000 1.131 332 R CA 1.147 57.266 56.100 0.032 0.000 0.960 332 R CB -0.097 30.220 30.300 0.030 0.000 0.856 332 R HN 0.285 nan 8.270 nan 0.000 0.436 333 M N 0.191 119.808 119.600 0.028 0.000 2.175 333 M HA -0.094 4.386 4.480 -0.000 0.000 0.264 333 M C 2.052 178.375 176.300 0.038 0.000 1.063 333 M CA 1.481 56.790 55.300 0.014 0.000 1.119 333 M CB -0.803 31.780 32.600 -0.028 0.000 1.377 333 M HN 0.088 nan 8.290 nan 0.000 0.415 334 R N -0.041 120.482 120.500 0.038 0.000 2.094 334 R HA -0.244 4.096 4.340 -0.000 0.000 0.239 334 R C 2.292 178.648 176.300 0.095 0.000 1.137 334 R CA 1.968 58.112 56.100 0.074 0.000 0.943 334 R CB -0.542 29.792 30.300 0.057 0.000 0.850 334 R HN 0.332 nan 8.270 nan 0.000 0.433 335 Q N 0.786 120.621 119.800 0.058 0.000 2.079 335 Q HA -0.122 4.218 4.340 -0.000 0.000 0.200 335 Q C 1.925 177.948 176.000 0.037 0.000 0.974 335 Q CA 1.237 57.063 55.803 0.038 0.000 0.840 335 Q CB -0.242 28.512 28.738 0.026 0.000 0.898 335 Q HN 0.219 nan 8.270 nan 0.000 0.430 336 L N -0.256 120.997 121.223 0.050 0.000 2.046 336 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 336 L C 1.974 178.888 176.870 0.073 0.000 1.077 336 L CA 1.656 56.523 54.840 0.045 0.000 0.747 336 L CB -0.966 41.117 42.059 0.040 0.000 0.896 336 L HN 0.360 nan 8.230 nan 0.000 0.432 337 F N -0.183 119.716 119.950 -0.085 0.000 2.069 337 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 337 F C 2.566 178.264 175.800 -0.170 0.000 1.113 337 F CA 2.191 60.112 58.000 -0.132 0.000 1.214 337 F CB -0.930 37.992 39.000 -0.131 0.000 0.978 337 F HN 0.058 nan 8.300 nan 0.000 0.474 338 V N 0.258 120.096 119.914 -0.126 0.000 2.515 338 V HA -0.230 3.890 4.120 -0.000 0.000 0.250 338 V C 2.113 178.100 176.094 -0.179 0.000 1.058 338 V CA 2.380 64.534 62.300 -0.244 0.000 1.064 338 V CB -0.750 30.999 31.823 -0.124 0.000 0.675 338 V HN 0.357 nan 8.190 nan 0.000 0.461 339 N N 1.004 119.643 118.700 -0.101 0.000 2.106 339 N HA -0.104 4.636 4.740 -0.000 0.000 0.188 339 N C 1.918 177.370 175.510 -0.097 0.000 1.029 339 N CA 2.303 55.309 53.050 -0.074 0.000 0.848 339 N CB -0.933 37.532 38.487 -0.036 0.000 1.007 339 N HN 0.608 nan 8.380 nan 0.000 0.423 340 T N 1.494 115.981 114.554 -0.113 0.000 2.867 340 T HA -0.015 4.334 4.350 -0.000 0.000 0.268 340 T C 1.816 176.406 174.700 -0.183 0.000 1.057 340 T CA 0.327 62.358 62.100 -0.114 0.000 1.136 340 T CB -0.129 68.694 68.868 -0.075 0.000 0.874 340 T HN -0.000 nan 8.240 nan 0.000 0.466 341 L N 1.518 122.548 121.223 -0.322 0.000 2.012 341 L HA -0.074 4.266 4.340 -0.000 0.000 0.210 341 L C 2.678 179.431 176.870 -0.195 0.000 1.073 341 L CA 1.633 56.239 54.840 -0.390 0.000 0.748 341 L CB -1.176 40.434 42.059 -0.749 0.000 0.891 341 L HN 0.241 nan 8.230 nan 0.000 0.431 342 Q N -0.007 119.711 119.800 -0.137 0.000 2.050 342 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 342 Q C 2.043 178.010 176.000 -0.054 0.000 0.980 342 Q CA 1.859 57.625 55.803 -0.062 0.000 0.840 342 Q CB 0.004 28.716 28.738 -0.042 0.000 0.898 342 Q HN 0.584 nan 8.270 nan 0.000 0.424 343 E N -0.052 120.110 120.200 -0.063 0.000 2.204 343 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 343 E C 1.570 178.141 176.600 -0.048 0.000 0.990 343 E CA 0.909 57.280 56.400 -0.047 0.000 0.821 343 E CB 0.097 29.770 29.700 -0.045 0.000 0.750 343 E HN 0.020 nan 8.360 nan 0.000 0.477 344 K N -0.973 119.386 120.400 -0.069 0.000 2.404 344 K HA 0.079 4.399 4.320 -0.000 0.000 0.194 344 K C 0.606 177.174 176.600 -0.053 0.000 1.023 344 K CA 0.597 56.844 56.287 -0.066 0.000 1.094 344 K CB 0.829 33.271 32.500 -0.095 0.000 0.841 344 K HN 0.203 nan 8.250 nan 0.000 0.523 345 G N -0.593 108.182 108.800 -0.042 0.000 2.144 345 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.218 345 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.218 345 G C 0.131 175.026 174.900 -0.008 0.000 0.988 345 G CA -0.106 44.982 45.100 -0.021 0.000 0.659 345 G HN 0.458 nan 8.290 nan 0.000 0.522 346 A N 0.136 122.947 122.820 -0.014 0.000 2.540 346 A HA 0.511 4.831 4.320 -0.000 0.000 0.239 346 A C 1.296 178.924 177.584 0.072 0.000 1.061 346 A CA 1.066 53.128 52.037 0.042 0.000 0.758 346 A CB -0.002 19.032 19.000 0.057 0.000 0.991 346 A HN 0.959 nan 8.150 nan 0.000 0.502 347 N N 2.064 120.812 118.700 0.080 0.000 2.171 347 N HA -0.086 4.654 4.740 -0.000 0.000 0.184 347 N C 0.575 176.116 175.510 0.051 0.000 1.021 347 N CA 0.882 53.964 53.050 0.052 0.000 0.854 347 N CB -0.150 38.358 38.487 0.036 0.000 0.994 347 N HN 0.699 nan 8.380 nan 0.000 0.426 348 R N 0.687 121.230 120.500 0.071 0.000 2.531 348 R HA 0.129 4.468 4.340 -0.000 0.000 0.273 348 R C -0.756 175.515 176.300 -0.049 0.000 1.070 348 R CA -0.675 55.389 56.100 -0.060 0.000 1.112 348 R CB 0.417 30.538 30.300 -0.298 0.000 1.049 348 R HN 0.147 nan 8.270 nan 0.000 0.508 349 D N 1.382 121.725 120.400 -0.096 0.000 2.358 349 D HA -0.024 4.616 4.640 -0.000 0.000 0.258 349 D C -0.532 175.651 176.300 -0.194 0.000 1.223 349 D CA 0.242 54.212 54.000 -0.051 0.000 0.886 349 D CB 0.333 41.140 40.800 0.011 0.000 1.120 349 D HN 0.373 nan 8.370 nan 0.000 0.482 350 F N 1.428 121.275 119.950 -0.172 0.000 2.668 350 F HA 0.055 4.582 4.527 -0.000 0.000 0.301 350 F C 2.294 177.666 175.800 -0.713 0.000 1.106 350 F CA -0.213 57.469 58.000 -0.530 0.000 1.289 350 F CB 0.215 38.941 39.000 -0.456 0.000 1.006 350 F HN 0.380 nan 8.300 nan 0.000 0.535 351 S N 0.331 115.897 115.700 -0.223 0.000 2.419 351 S HA -0.266 4.203 4.470 -0.000 0.000 0.233 351 S C 2.054 176.577 174.600 -0.128 0.000 1.016 351 S CA 1.249 59.376 58.200 -0.122 0.000 0.974 351 S CB -1.248 61.947 63.200 -0.007 0.000 0.786 351 S HN 0.495 nan 8.310 nan 0.000 0.492 352 F N 1.602 121.538 119.950 -0.022 0.000 2.250 352 F HA 0.096 4.623 4.527 -0.000 0.000 0.301 352 F C 1.852 177.694 175.800 0.070 0.000 1.077 352 F CA 0.312 58.306 58.000 -0.011 0.000 1.348 352 F CB -0.934 37.964 39.000 -0.171 0.000 1.040 352 F HN 0.149 nan 8.300 nan 0.000 0.509 353 I N 0.816 121.145 120.570 -0.402 0.000 2.335 353 I HA -0.281 3.889 4.170 -0.000 0.000 0.251 353 I C 2.379 178.521 176.117 0.042 0.000 1.129 353 I CA 1.447 62.698 61.300 -0.080 0.000 1.402 353 I CB -0.482 37.460 38.000 -0.096 0.000 1.069 353 I HN 0.207 nan 8.210 nan 0.000 0.424 354 I N 0.488 121.066 120.570 0.013 0.000 2.394 354 I HA -0.257 3.913 4.170 -0.000 0.000 0.251 354 I C 2.240 178.402 176.117 0.074 0.000 1.136 354 I CA 1.371 62.697 61.300 0.044 0.000 1.425 354 I CB -0.259 37.757 38.000 0.027 0.000 1.079 354 I HN 0.131 nan 8.210 nan 0.000 0.425 355 K N 0.222 120.683 120.400 0.101 0.000 2.365 355 K HA 0.045 4.365 4.320 -0.000 0.000 0.197 355 K C 0.541 177.221 176.600 0.133 0.000 1.042 355 K CA 0.233 56.589 56.287 0.115 0.000 0.987 355 K CB 0.134 32.713 32.500 0.132 0.000 0.779 355 K HN 0.404 nan 8.250 nan 0.000 0.484 356 Q N 0.695 120.588 119.800 0.154 0.000 2.312 356 Q HA 0.159 4.498 4.340 -0.000 0.000 0.236 356 Q C -0.747 175.329 176.000 0.127 0.000 0.965 356 Q CA -0.078 55.823 55.803 0.164 0.000 0.894 356 Q CB 0.916 29.781 28.738 0.211 0.000 1.225 356 Q HN 0.115 nan 8.270 nan 0.000 0.478 357 N N -0.332 118.443 118.700 0.126 0.000 2.342 357 N HA 0.588 5.328 4.740 -0.000 0.000 0.293 357 N C -0.415 175.127 175.510 0.054 0.000 1.026 357 N CA -0.006 53.112 53.050 0.114 0.000 0.857 357 N CB 1.757 40.339 38.487 0.158 0.000 1.256 357 N HN 0.784 nan 8.380 nan 0.000 0.484 358 G N 0.818 109.636 108.800 0.030 0.000 2.512 358 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.210 358 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.210 358 G C 0.490 175.249 174.900 -0.236 0.000 1.295 358 G CA -0.429 44.601 45.100 -0.117 0.000 0.934 358 G HN 0.465 nan 8.290 nan 0.000 0.554 359 M N -0.398 118.855 119.600 -0.577 0.000 2.349 359 M HA 0.263 4.743 4.480 -0.000 0.000 0.266 359 M C 0.251 176.190 176.300 -0.601 0.000 1.076 359 M CA 1.269 56.158 55.300 -0.685 0.000 1.126 359 M CB 0.010 31.943 32.600 -1.111 0.000 1.392 359 M HN 0.229 nan 8.290 nan 0.000 0.440 360 F N -0.091 119.762 119.950 -0.162 0.000 2.469 360 F HA 0.427 4.954 4.527 -0.000 0.000 0.332 360 F C 0.287 176.052 175.800 -0.058 0.000 1.103 360 F CA -1.307 56.626 58.000 -0.112 0.000 0.979 360 F CB 1.325 40.233 39.000 -0.153 0.000 1.137 360 F HN -0.149 nan 8.300 nan 0.000 0.463 361 S N 0.917 116.741 115.700 0.206 0.000 2.632 361 S HA 0.637 5.107 4.470 -0.000 0.000 0.289 361 S C -1.160 173.622 174.600 0.304 0.000 1.115 361 S CA -0.874 57.455 58.200 0.214 0.000 0.889 361 S CB 1.456 64.835 63.200 0.299 0.000 1.116 361 S HN 0.223 nan 8.310 nan 0.000 0.486 362 F N 3.182 123.265 119.950 0.223 0.000 2.533 362 F HA 0.207 4.734 4.527 -0.000 0.000 0.378 362 F C 2.047 178.086 175.800 0.399 0.000 1.070 362 F CA -1.023 57.112 58.000 0.225 0.000 1.172 362 F CB 0.389 39.468 39.000 0.132 0.000 1.085 362 F HN 0.851 nan 8.300 nan 0.000 0.552 363 S N 1.766 117.810 115.700 0.573 0.000 2.461 363 S HA 0.124 4.594 4.470 -0.000 0.000 0.228 363 S C 1.781 176.727 174.600 0.576 0.000 1.005 363 S CA 0.445 59.009 58.200 0.606 0.000 0.942 363 S CB -0.393 63.097 63.200 0.483 0.000 0.776 363 S HN 1.199 nan 8.310 nan 0.000 0.514 364 G N 0.409 109.427 108.800 0.363 0.000 2.159 364 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.256 364 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.256 364 G C -0.166 174.825 174.900 0.152 0.000 0.977 364 G CA 0.166 45.389 45.100 0.206 0.000 0.652 364 G HN 0.450 nan 8.290 nan 0.000 0.531 365 L N 2.229 123.564 121.223 0.186 0.000 2.426 365 L HA 0.514 4.854 4.340 -0.000 0.000 0.271 365 L C 1.699 178.608 176.870 0.065 0.000 1.169 365 L CA 0.373 55.296 54.840 0.138 0.000 0.836 365 L CB 0.656 42.810 42.059 0.159 0.000 1.112 365 L HN 0.460 nan 8.230 nan 0.000 0.465 366 T N -0.151 114.432 114.554 0.048 0.000 2.788 366 T HA 0.204 4.554 4.350 -0.000 0.000 0.287 366 T C 1.166 175.880 174.700 0.023 0.000 1.007 366 T CA -0.206 61.905 62.100 0.019 0.000 1.005 366 T CB 0.462 69.340 68.868 0.017 0.000 1.012 366 T HN 0.679 nan 8.240 nan 0.000 0.530 367 K N 0.284 120.690 120.400 0.010 0.000 2.147 367 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 367 K C 1.733 178.345 176.600 0.019 0.000 1.049 367 K CA 1.403 57.698 56.287 0.014 0.000 0.936 367 K CB -0.212 32.291 32.500 0.005 0.000 0.722 367 K HN 0.594 nan 8.250 nan 0.000 0.446 368 E N 1.420 121.632 120.200 0.020 0.000 2.072 368 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 368 E C 2.120 178.742 176.600 0.038 0.000 0.982 368 E CA 1.239 57.653 56.400 0.024 0.000 0.803 368 E CB -0.074 29.639 29.700 0.021 0.000 0.755 368 E HN 0.391 nan 8.360 nan 0.000 0.453 369 Q N 0.094 119.922 119.800 0.047 0.000 2.124 369 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 369 Q C 2.387 178.428 176.000 0.068 0.000 0.977 369 Q CA 1.782 57.624 55.803 0.064 0.000 0.850 369 Q CB -0.209 28.572 28.738 0.071 0.000 0.901 369 Q HN 0.403 nan 8.270 nan 0.000 0.429 370 V N -1.577 118.371 119.914 0.056 0.000 2.515 370 V HA -0.163 3.957 4.120 -0.000 0.000 0.250 370 V C 1.961 178.067 176.094 0.019 0.000 1.058 370 V CA 1.189 63.518 62.300 0.048 0.000 1.064 370 V CB -0.592 31.261 31.823 0.051 0.000 0.675 370 V HN 0.335 nan 8.190 nan 0.000 0.461 371 L N 0.446 121.678 121.223 0.015 0.000 2.056 371 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 371 L C 2.812 179.684 176.870 0.003 0.000 1.078 371 L CA 2.394 57.230 54.840 -0.007 0.000 0.749 371 L CB -0.890 41.169 42.059 -0.000 0.000 0.901 371 L HN 0.400 nan 8.230 nan 0.000 0.433 372 R N -0.390 120.136 120.500 0.044 0.000 2.080 372 R HA -0.199 4.141 4.340 -0.000 0.000 0.236 372 R C 2.460 178.860 176.300 0.167 0.000 1.137 372 R CA 1.649 57.803 56.100 0.088 0.000 0.943 372 R CB -0.295 30.083 30.300 0.130 0.000 0.846 372 R HN 0.362 nan 8.270 nan 0.000 0.431 373 L N 0.145 121.479 121.223 0.185 0.000 2.043 373 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 373 L C 2.924 179.877 176.870 0.138 0.000 1.075 373 L CA 1.508 56.493 54.840 0.243 0.000 0.752 373 L CB -0.440 41.684 42.059 0.108 0.000 0.891 373 L HN 0.281 nan 8.230 nan 0.000 0.432 374 R N 0.032 120.503 120.500 -0.048 0.000 2.062 374 R HA -0.121 4.219 4.340 -0.000 0.000 0.229 374 R C 2.128 178.322 176.300 -0.176 0.000 1.128 374 R CA 1.400 57.332 56.100 -0.281 0.000 0.960 374 R CB -0.024 30.010 30.300 -0.444 0.000 0.855 374 R HN 0.448 nan 8.270 nan 0.000 0.432 375 E N -0.191 119.946 120.200 -0.106 0.000 2.072 375 E HA -0.183 4.167 4.350 -0.000 0.000 0.190 375 E C 1.782 178.304 176.600 -0.129 0.000 0.982 375 E CA 0.983 57.326 56.400 -0.094 0.000 0.803 375 E CB 0.056 29.713 29.700 -0.071 0.000 0.755 375 E HN 0.426 nan 8.360 nan 0.000 0.453 376 E N -0.579 119.508 120.200 -0.190 0.000 2.276 376 E HA -0.037 4.313 4.350 -0.000 0.000 0.193 376 E C 0.869 177.069 176.600 -0.667 0.000 0.983 376 E CA 0.392 56.500 56.400 -0.486 0.000 0.861 376 E CB 0.310 29.589 29.700 -0.701 0.000 0.817 376 E HN 0.131 nan 8.360 nan 0.000 0.485 377 F N -1.055 118.889 119.950 -0.009 0.000 2.746 377 F HA 0.371 4.898 4.527 -0.000 0.000 0.320 377 F C 1.182 177.004 175.800 0.036 0.000 1.097 377 F CA 0.229 58.236 58.000 0.012 0.000 1.195 377 F CB 1.416 40.426 39.000 0.017 0.000 1.056 377 F HN 0.073 nan 8.300 nan 0.000 0.562 378 G N 1.618 110.510 108.800 0.152 0.000 2.249 378 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.273 378 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.273 378 G C -0.261 174.843 174.900 0.340 0.000 1.036 378 G CA 0.270 45.503 45.100 0.221 0.000 0.824 378 G HN 0.189 nan 8.290 nan 0.000 0.504 379 V N 0.608 120.655 119.914 0.222 0.000 2.370 379 V HA 0.519 4.639 4.120 -0.000 0.000 0.283 379 V C -0.349 175.839 176.094 0.158 0.000 1.023 379 V CA -0.959 61.486 62.300 0.242 0.000 0.857 379 V CB 1.114 33.029 31.823 0.153 0.000 0.985 379 V HN 0.239 nan 8.190 nan 0.000 0.443 380 Y N 3.719 124.104 120.300 0.143 0.000 2.369 380 Y HA 0.737 5.287 4.550 -0.000 0.000 0.337 380 Y C 0.477 176.418 175.900 0.068 0.000 0.961 380 Y CA -0.297 57.880 58.100 0.128 0.000 1.186 380 Y CB 1.554 40.128 38.460 0.190 0.000 1.139 380 Y HN 0.738 nan 8.280 nan 0.000 0.494 381 A N 2.104 125.011 122.820 0.145 0.000 2.486 381 A HA 0.870 5.190 4.320 -0.000 0.000 0.289 381 A C -0.684 176.964 177.584 0.106 0.000 1.176 381 A CA -0.749 51.362 52.037 0.122 0.000 0.757 381 A CB 0.781 19.847 19.000 0.110 0.000 1.337 381 A HN 0.597 nan 8.150 nan 0.000 0.423 382 V N -1.915 118.058 119.914 0.098 0.000 2.904 382 V HA 0.635 4.755 4.120 -0.000 0.000 0.305 382 V C 1.364 177.502 176.094 0.073 0.000 1.067 382 V CA 0.210 62.557 62.300 0.077 0.000 1.044 382 V CB 0.611 32.467 31.823 0.056 0.000 1.050 382 V HN 1.719 nan 8.190 nan 0.000 0.475 383 A N 1.994 124.846 122.820 0.053 0.000 2.024 383 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 383 A C 2.265 179.871 177.584 0.037 0.000 1.164 383 A CA 2.399 54.459 52.037 0.038 0.000 0.643 383 A CB -1.119 17.894 19.000 0.023 0.000 0.806 383 A HN 1.613 nan 8.150 nan 0.000 0.451 384 S N -1.918 113.819 115.700 0.062 0.000 2.515 384 S HA 0.303 4.773 4.470 -0.000 0.000 0.231 384 S C 1.530 176.140 174.600 0.018 0.000 0.987 384 S CA 1.174 59.401 58.200 0.045 0.000 0.936 384 S CB -0.479 62.852 63.200 0.219 0.000 0.766 384 S HN 1.967 nan 8.310 nan 0.000 0.528 385 G N 1.294 110.159 108.800 0.108 0.000 2.157 385 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.248 385 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.248 385 G C 0.123 175.199 174.900 0.294 0.000 0.979 385 G CA 0.053 45.245 45.100 0.154 0.000 0.650 385 G HN 0.679 nan 8.290 nan 0.000 0.529 386 R N 0.599 121.316 120.500 0.362 0.000 2.489 386 R HA 0.424 4.764 4.340 -0.000 0.000 0.287 386 R C 0.347 176.774 176.300 0.213 0.000 1.053 386 R CA 0.745 57.044 56.100 0.332 0.000 1.036 386 R CB 0.685 31.073 30.300 0.147 0.000 0.966 386 R HN 0.828 nan 8.270 nan 0.000 0.432 387 V N 1.727 121.776 119.914 0.224 0.000 2.628 387 V HA 0.375 4.495 4.120 -0.000 0.000 0.306 387 V C 0.009 176.228 176.094 0.208 0.000 1.045 387 V CA -1.096 61.295 62.300 0.153 0.000 0.905 387 V CB 1.767 33.609 31.823 0.031 0.000 0.997 387 V HN 0.846 nan 8.190 nan 0.000 0.436 388 N N 2.702 121.503 118.700 0.170 0.000 2.448 388 N HA 0.191 4.931 4.740 -0.000 0.000 0.250 388 N C 0.829 176.272 175.510 -0.112 0.000 1.136 388 N CA -0.379 52.708 53.050 0.061 0.000 0.953 388 N CB 1.489 40.035 38.487 0.100 0.000 1.251 388 N HN 0.658 nan 8.380 nan 0.000 0.502 389 V N 3.665 123.483 119.914 -0.160 0.000 2.469 389 V HA -0.224 3.896 4.120 -0.000 0.000 0.251 389 V C 2.281 178.280 176.094 -0.159 0.000 1.064 389 V CA 2.048 64.223 62.300 -0.208 0.000 1.066 389 V CB -0.713 31.012 31.823 -0.163 0.000 0.667 389 V HN 0.808 nan 8.190 nan 0.000 0.461 390 A N 0.293 123.040 122.820 -0.122 0.000 2.248 390 A HA 0.093 4.413 4.320 -0.000 0.000 0.210 390 A C 2.122 179.658 177.584 -0.080 0.000 1.174 390 A CA 1.276 53.269 52.037 -0.073 0.000 0.750 390 A CB -0.589 18.416 19.000 0.009 0.000 0.780 390 A HN 0.554 nan 8.150 nan 0.000 0.478 391 G N -1.274 107.434 108.800 -0.153 0.000 2.986 391 G HA2 0.342 4.302 3.960 -0.000 0.000 0.213 391 G HA3 0.342 4.302 3.960 -0.000 0.000 0.213 391 G C 0.545 175.225 174.900 -0.367 0.000 1.156 391 G CA -0.333 44.514 45.100 -0.420 0.000 0.763 391 G HN 0.448 nan 8.290 nan 0.000 0.547 392 M N 1.757 121.209 119.600 -0.246 0.000 2.274 392 M HA 0.451 4.931 4.480 -0.000 0.000 0.344 392 M C 0.193 176.408 176.300 -0.140 0.000 1.161 392 M CA -0.088 55.096 55.300 -0.193 0.000 1.126 392 M CB 1.653 34.130 32.600 -0.205 0.000 1.522 392 M HN 0.094 nan 8.290 nan 0.000 0.461 393 T N -1.352 113.143 114.554 -0.100 0.000 2.864 393 T HA 0.467 4.817 4.350 -0.000 0.000 0.299 393 T C -2.576 172.105 174.700 -0.032 0.000 1.166 393 T CA -1.729 60.333 62.100 -0.062 0.000 1.007 393 T CB 1.756 70.587 68.868 -0.062 0.000 1.219 393 T HN 0.265 nan 8.240 nan 0.000 0.506 394 P HA -0.074 nan 4.420 nan 0.000 0.216 394 P C 0.904 178.200 177.300 -0.006 0.000 1.150 394 P CA 1.108 64.205 63.100 -0.005 0.000 0.843 394 P CB 0.036 31.736 31.700 -0.000 0.000 0.787 395 D N -1.103 119.292 120.400 -0.009 0.000 2.149 395 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 395 D C 1.461 177.758 176.300 -0.006 0.000 0.972 395 D CA 1.182 55.179 54.000 -0.005 0.000 0.835 395 D CB -0.673 40.125 40.800 -0.004 0.000 0.966 395 D HN 0.319 nan 8.370 nan 0.000 0.476 396 N N -0.101 118.589 118.700 -0.017 0.000 2.353 396 N HA -0.045 4.695 4.740 -0.000 0.000 0.185 396 N C 1.481 176.988 175.510 -0.005 0.000 1.098 396 N CA 0.178 53.220 53.050 -0.014 0.000 0.872 396 N CB -0.264 38.204 38.487 -0.032 0.000 0.970 396 N HN -0.020 nan 8.380 nan 0.000 0.467 397 M N 0.953 120.552 119.600 -0.001 0.000 2.086 397 M HA 0.132 4.612 4.480 -0.000 0.000 0.261 397 M C 1.925 178.236 176.300 0.019 0.000 1.067 397 M CA 1.433 56.746 55.300 0.022 0.000 1.116 397 M CB -0.681 31.936 32.600 0.028 0.000 1.348 397 M HN 0.280 nan 8.290 nan 0.000 0.407 398 A N 0.735 123.558 122.820 0.004 0.000 1.858 398 A HA -0.072 4.247 4.320 -0.000 0.000 0.216 398 A C -0.266 177.312 177.584 -0.010 0.000 1.190 398 A CA 1.736 53.769 52.037 -0.007 0.000 0.617 398 A CB -2.360 16.637 19.000 -0.005 0.000 0.827 398 A HN 0.485 nan 8.150 nan 0.000 0.443 399 P HA -0.147 nan 4.420 nan 0.000 0.216 399 P C 1.706 179.003 177.300 -0.006 0.000 1.150 399 P CA 1.158 64.265 63.100 0.011 0.000 0.837 399 P CB -0.204 31.517 31.700 0.034 0.000 0.786 400 L N 0.247 121.473 121.223 0.006 0.000 1.994 400 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 400 L C 2.363 179.221 176.870 -0.020 0.000 1.071 400 L CA 2.076 56.923 54.840 0.012 0.000 0.745 400 L CB -1.460 40.626 42.059 0.045 0.000 0.892 400 L HN -0.055 nan 8.230 nan 0.000 0.431 401 C N -0.148 119.139 119.300 -0.022 0.000 2.435 401 C HA -0.070 4.390 4.460 -0.000 0.000 0.279 401 C C 2.540 177.445 174.990 -0.143 0.000 1.321 401 C CA 0.739 59.697 59.018 -0.100 0.000 1.752 401 C CB -0.986 26.676 27.740 -0.129 0.000 1.959 401 C HN 0.611 nan 8.230 nan 0.000 0.500 402 E N 1.128 121.258 120.200 -0.118 0.000 2.110 402 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 402 E C 2.348 178.792 176.600 -0.260 0.000 0.988 402 E CA 1.309 57.631 56.400 -0.131 0.000 0.804 402 E CB -0.199 29.459 29.700 -0.069 0.000 0.745 402 E HN 0.672 nan 8.360 nan 0.000 0.458 403 A N 1.091 123.691 122.820 -0.366 0.000 1.877 403 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 403 A C 2.175 179.395 177.584 -0.606 0.000 1.186 403 A CA 1.114 52.652 52.037 -0.831 0.000 0.620 403 A CB -0.589 18.042 19.000 -0.616 0.000 0.822 403 A HN 0.134 nan 8.150 nan 0.000 0.443 404 I N -0.281 120.114 120.570 -0.291 0.000 2.127 404 I HA -0.175 3.995 4.170 -0.000 0.000 0.241 404 I C 1.330 177.362 176.117 -0.141 0.000 1.075 404 I CA 0.454 61.656 61.300 -0.163 0.000 1.334 404 I CB -0.552 37.381 38.000 -0.111 0.000 1.040 404 I HN 0.091 nan 8.210 nan 0.000 0.405 408 V N -0.375 119.516 119.914 -0.038 0.000 3.650 408 V HA 0.443 4.563 4.120 -0.000 0.000 0.271 408 V C 0.996 177.119 176.094 0.048 0.000 1.281 408 V CA 0.136 62.461 62.300 0.042 0.000 1.120 408 V CB -0.784 31.073 31.823 0.057 0.000 0.856 408 V HN 0.362 nan 8.190 nan 0.000 0.443 409 L N 0.000 121.247 121.223 0.039 0.000 2.949 409 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 409 L CA 0.000 54.876 54.840 0.059 0.000 0.813 409 L CB 0.000 42.104 42.059 0.075 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502