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 1ldc_1_A DATA FIRST_RESID 10 DATA SEQUENCE KISPAEVAKH NKPDDCWVVI NGYVYDLTRF LPNHPGGQDV IKFNAGKDVT DATA SEQUENCE AIFEPLHAPN VIDKYIAPEK KLGPLQGSMP PELVCPPYAP GETKEDIARK DATA SEQUENCE EQLKSLLPPL DNIINLYDFE YLASQTLTKQ AWAFYSSGAN DEVTHRENHN DATA SEQUENCE AYHRIFFKPK ILVDVRKVDI STDMLGSHVD VPFYVSATAL CKLGNPLEGE DATA SEQUENCE KDVARGCGQG VTKVPQMIST LASCSPEEII EAAPSDKQIQ WYQLYVNSDR DATA SEQUENCE KITDDLVKNV EKLGVKALFV TVDAPSLGQR EKDMKLKXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XALSKFIDPS LTWKDIEELK KKTKLPIVIK GVQRTEDVIK DATA SEQUENCE AAEIGVSGVV LSNHGGRQLD FSRAPIEVLA ETMPILEQRN LKDKLEVFVD DATA SEQUENCE GGVRRGTDVL KALCLGAKGV GLGRPFLYAN SCYGRNGVEK AIEILRDEIE DATA SEQUENCE MSMRLLGVTS IAELKPDLLD LSTLKARTVG VPNDVLYNEV YEGPTLTEFE DATA SEQUENCE DA 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 10 K HA 0.000 nan 4.320 nan 0.000 0.191 10 K C 0.000 176.568 176.600 -0.054 0.000 0.988 10 K CA 0.000 56.271 56.287 -0.026 0.000 0.838 10 K CB 0.000 32.493 32.500 -0.012 0.000 1.064 11 I N -1.458 119.083 120.570 -0.049 0.000 2.721 11 I HA 0.106 nan 4.170 nan 0.000 0.292 11 I C -2.226 173.885 176.117 -0.009 0.000 1.674 11 I CA 0.588 61.862 61.300 -0.044 0.000 0.993 11 I CB 4.371 42.299 38.000 -0.119 0.000 1.448 11 I HN 0.238 8.427 8.210 -0.035 0.000 0.500 12 S N 5.005 120.722 115.700 0.028 0.000 2.549 12 S HA 0.544 nan 4.470 nan 0.000 0.297 12 S C -1.320 173.315 174.600 0.059 0.000 1.115 12 S CA -2.929 55.292 58.200 0.035 0.000 1.059 12 S CB 1.354 64.572 63.200 0.031 0.000 1.046 12 S HN 0.267 8.605 8.310 0.047 0.000 0.506 13 P HA -0.259 nan 4.420 nan 0.000 0.208 13 P C 0.833 178.167 177.300 0.055 0.000 1.180 13 P CA 3.002 66.132 63.100 0.049 0.000 0.935 13 P CB -0.075 31.643 31.700 0.030 0.000 0.785 14 A N -4.515 118.322 122.820 0.028 0.000 1.972 14 A HA -0.203 nan 4.320 nan 0.000 0.219 14 A C 2.125 179.704 177.584 -0.008 0.000 1.169 14 A CA 2.920 54.959 52.037 0.003 0.000 0.635 14 A CB -1.008 17.984 19.000 -0.014 0.000 0.810 14 A HN 0.242 8.404 8.150 0.021 0.000 0.446 15 E N -2.045 118.173 120.200 0.030 0.000 2.110 15 E HA -0.311 nan 4.350 nan 0.000 0.193 15 E C 1.992 178.680 176.600 0.148 0.000 0.988 15 E CA 2.657 59.084 56.400 0.044 0.000 0.804 15 E CB -0.835 28.921 29.700 0.092 0.000 0.745 15 E HN -0.047 8.318 8.360 0.047 0.023 0.458 16 V N 0.829 120.913 119.914 0.284 0.000 2.229 16 V HA -0.371 nan 4.120 nan 0.000 0.243 16 V C 2.265 178.538 176.094 0.298 0.000 1.042 16 V CA 3.731 66.345 62.300 0.523 0.000 1.000 16 V CB -0.881 31.160 31.823 0.364 0.000 0.637 16 V HN -0.456 7.772 8.190 0.205 0.085 0.446 17 A N -0.535 122.356 122.820 0.117 0.000 1.958 17 A HA -0.376 nan 4.320 nan 0.000 0.221 17 A C 1.321 178.860 177.584 -0.074 0.000 1.178 17 A CA 2.969 55.029 52.037 0.038 0.000 0.642 17 A CB -0.867 18.140 19.000 0.012 0.000 0.816 17 A HN 0.121 8.232 8.150 0.109 0.105 0.453 18 K N -2.483 117.789 120.400 -0.213 0.000 2.184 18 K HA -0.350 nan 4.320 nan 0.000 0.210 18 K C 2.418 178.670 176.600 -0.580 0.000 1.048 18 K CA 2.502 58.515 56.287 -0.456 0.000 0.931 18 K CB -0.020 32.073 32.500 -0.680 0.000 0.718 18 K HN -0.078 7.958 8.250 -0.145 0.127 0.465 19 H N -1.374 117.553 119.070 -0.240 0.000 2.770 19 H HA 0.121 nan 4.556 nan 0.000 0.315 19 H C -0.855 174.406 175.328 -0.112 0.000 1.127 19 H CA -1.103 54.767 56.048 -0.296 0.000 1.155 19 H CB -1.958 27.427 29.762 -0.629 0.000 1.397 19 H HN -0.132 7.764 8.280 -0.329 0.187 0.538 20 N N 0.282 118.950 118.700 -0.053 0.000 3.250 20 N HA -0.074 nan 4.740 nan 0.000 0.307 20 N C -0.666 174.843 175.510 -0.003 0.000 1.355 20 N CA -0.285 52.763 53.050 -0.003 0.000 1.192 20 N CB -0.745 37.728 38.487 -0.022 0.000 1.478 20 N HN -0.350 7.831 8.380 -0.142 0.113 0.543 21 K N 0.995 121.406 120.400 0.018 0.000 2.469 21 K HA 0.457 nan 4.320 nan 0.000 0.254 21 K C -2.294 174.334 176.600 0.048 0.000 0.939 21 K CA -2.963 53.335 56.287 0.019 0.000 0.812 21 K CB 2.497 34.995 32.500 -0.004 0.000 1.301 21 K HN -0.355 7.856 8.250 0.039 0.063 0.433 22 P HA -0.081 nan 4.420 nan 0.000 0.271 22 P C -0.354 176.974 177.300 0.047 0.000 1.233 22 P CA 0.110 63.244 63.100 0.056 0.000 0.795 22 P CB 0.731 32.463 31.700 0.053 0.000 0.936 23 D N -1.734 118.695 120.400 0.049 0.000 4.541 23 D HA -0.462 nan 4.640 nan 0.000 0.209 23 D C -0.513 175.824 176.300 0.062 0.000 0.584 23 D CA 2.574 56.603 54.000 0.047 0.000 1.297 23 D CB -0.540 40.280 40.800 0.033 0.000 0.807 23 D HN 0.289 8.689 8.370 0.050 0.000 0.433 24 D N 3.152 123.582 120.400 0.049 0.000 2.393 24 D HA 0.102 nan 4.640 nan 0.000 0.232 24 D C -1.038 175.296 176.300 0.057 0.000 1.192 24 D CA -0.215 53.817 54.000 0.053 0.000 0.882 24 D CB -0.396 40.418 40.800 0.022 0.000 1.038 24 D HN -0.327 8.045 8.370 0.035 0.019 0.499 25 C N 4.561 123.930 119.300 0.115 0.000 2.369 25 C HA 0.593 nan 4.460 nan 0.000 0.322 25 C C -1.716 173.469 174.990 0.325 0.000 1.258 25 C CA -2.280 56.836 59.018 0.164 0.000 1.487 25 C CB 2.128 29.954 27.740 0.142 0.000 2.165 25 C HN 0.354 8.656 8.230 0.137 0.011 0.483 26 W N 5.887 127.224 121.300 0.062 0.000 2.736 26 W HA 0.789 nan 4.660 nan 0.000 0.355 26 W C -1.959 174.579 176.519 0.032 0.000 1.102 26 W CA -3.236 54.117 57.345 0.013 0.000 1.164 26 W CB 3.480 32.919 29.460 -0.035 0.000 1.422 26 W HN 0.008 8.371 8.180 0.306 0.000 0.572 27 V N -1.232 118.806 119.914 0.208 0.000 3.147 27 V HA 0.648 nan 4.120 nan 0.000 0.299 27 V C -2.529 173.588 176.094 0.039 0.000 1.302 27 V CA -1.085 61.291 62.300 0.127 0.000 1.015 27 V CB 4.531 36.419 31.823 0.108 0.000 1.086 27 V HN 0.706 8.961 8.190 0.108 0.000 0.437 28 V N 4.986 124.919 119.914 0.033 0.000 2.427 28 V HA 0.784 nan 4.120 nan 0.000 0.286 28 V C -1.088 175.029 176.094 0.038 0.000 1.034 28 V CA -1.676 60.617 62.300 -0.012 0.000 0.893 28 V CB 0.573 32.396 31.823 0.001 0.000 0.982 28 V HN 0.530 8.755 8.190 0.058 0.000 0.452 29 I N 5.384 126.009 120.570 0.092 0.000 2.517 29 I HA 0.223 nan 4.170 nan 0.000 0.280 29 I C -1.095 175.088 176.117 0.111 0.000 1.061 29 I CA -0.738 60.603 61.300 0.068 0.000 1.091 29 I CB 1.992 39.902 38.000 -0.150 0.000 1.205 29 I HN 0.206 8.464 8.210 0.081 0.000 0.459 30 N N 8.418 127.164 118.700 0.076 0.000 2.758 30 N HA -0.431 nan 4.740 nan 0.000 0.248 30 N C -0.310 175.241 175.510 0.069 0.000 1.076 30 N CA 1.279 54.373 53.050 0.073 0.000 0.696 30 N CB -0.807 37.728 38.487 0.079 0.000 0.979 30 N HN 1.121 9.541 8.380 0.066 0.000 0.550 31 G N -6.305 102.530 108.800 0.059 0.000 2.308 31 G HA2 -0.477 nan 3.960 nan 0.000 0.221 31 G HA3 -0.477 nan 3.960 nan 0.000 0.221 31 G C -1.373 173.587 174.900 0.100 0.000 1.032 31 G CA -0.043 45.093 45.100 0.060 0.000 0.623 31 G HN 0.299 8.617 8.290 0.047 0.000 0.506 32 Y N 2.197 122.395 120.300 -0.171 0.000 2.403 32 Y HA 0.537 nan 4.550 nan 0.000 0.323 32 Y C -1.747 173.731 175.900 -0.703 0.000 1.226 32 Y CA -0.398 57.475 58.100 -0.379 0.000 1.235 32 Y CB 2.311 40.584 38.460 -0.312 0.000 1.248 32 Y HN -0.899 7.422 8.280 0.185 0.070 0.489 33 V N 2.538 121.871 119.914 -0.969 0.000 2.513 33 V HA 0.549 nan 4.120 nan 0.000 0.299 33 V C -1.854 173.478 176.094 -1.269 0.000 1.035 33 V CA -1.308 60.445 62.300 -0.910 0.000 0.889 33 V CB 2.185 33.620 31.823 -0.647 0.000 0.988 33 V HN 0.302 7.717 8.190 -1.292 0.000 0.440 34 Y N 3.169 123.240 120.300 -0.381 0.000 2.477 34 Y HA 0.333 nan 4.550 nan 0.000 0.347 34 Y C -2.008 173.656 175.900 -0.392 0.000 0.981 34 Y CA -2.436 55.448 58.100 -0.360 0.000 1.033 34 Y CB 3.505 41.824 38.460 -0.233 0.000 1.245 34 Y HN 0.897 8.867 8.280 -0.516 0.000 0.455 35 D N 1.990 122.201 120.400 -0.313 0.000 2.336 35 D HA 0.156 nan 4.640 nan 0.000 0.249 35 D C -0.306 176.048 176.300 0.091 0.000 1.213 35 D CA -0.001 53.898 54.000 -0.169 0.000 0.870 35 D CB 0.482 41.216 40.800 -0.109 0.000 1.076 35 D HN 0.360 8.575 8.370 -0.259 0.000 0.483 36 L N 7.692 129.028 121.223 0.189 0.000 2.928 36 L HA 0.312 nan 4.340 nan 0.000 0.246 36 L C -0.085 176.919 176.870 0.224 0.000 1.239 36 L CA -1.426 53.539 54.840 0.208 0.000 1.035 36 L CB -0.135 42.039 42.059 0.192 0.000 1.360 36 L HN 0.316 8.609 8.230 0.265 0.096 0.529 37 T N 2.107 116.785 114.554 0.205 0.000 2.545 37 T HA -0.321 nan 4.350 nan 0.000 0.261 37 T C 1.774 176.557 174.700 0.138 0.000 1.097 37 T CA 4.710 66.906 62.100 0.159 0.000 1.189 37 T CB -0.317 68.642 68.868 0.152 0.000 0.863 37 T HN -0.543 7.950 8.240 0.228 -0.116 0.405 38 R N 2.173 122.757 120.500 0.140 0.000 2.117 38 R HA -0.312 nan 4.340 nan 0.000 0.243 38 R C 1.136 177.522 176.300 0.144 0.000 1.143 38 R CA 2.478 58.654 56.100 0.126 0.000 0.968 38 R CB -0.976 29.401 30.300 0.128 0.000 0.863 38 R HN 0.286 8.640 8.270 0.141 0.000 0.444 39 F N -1.805 118.186 119.950 0.069 0.000 2.146 39 F HA -0.166 nan 4.527 nan 0.000 0.298 39 F C 1.295 177.135 175.800 0.066 0.000 1.096 39 F CA 1.602 59.647 58.000 0.074 0.000 1.275 39 F CB 0.225 39.263 39.000 0.064 0.000 1.008 39 F HN -0.538 7.938 8.300 0.322 0.017 0.480 40 L N 0.596 121.809 121.223 -0.017 0.000 1.997 40 L HA -0.325 nan 4.340 nan 0.000 0.227 40 L C -1.059 175.689 176.870 -0.203 0.000 1.087 40 L CA 5.803 60.582 54.840 -0.103 0.000 0.797 40 L CB -2.054 40.014 42.059 0.014 0.000 0.902 40 L HN -0.266 8.049 8.230 0.142 0.000 0.441 41 P HA -0.087 nan 4.420 nan 0.000 0.247 41 P C 0.161 177.359 177.300 -0.171 0.000 1.225 41 P CA 1.518 64.548 63.100 -0.117 0.000 0.768 41 P CB -0.820 30.847 31.700 -0.055 0.000 1.020 42 N N -2.788 115.723 118.700 -0.314 0.000 2.159 42 N HA 0.132 nan 4.740 nan 0.000 0.217 42 N C -0.612 174.606 175.510 -0.486 0.000 1.223 42 N CA -0.434 52.439 53.050 -0.295 0.000 0.896 42 N CB 2.047 40.438 38.487 -0.160 0.000 1.064 42 N HN -0.031 7.875 8.380 -0.460 0.198 0.518 43 H N 5.668 124.242 119.070 -0.826 0.000 3.070 43 H HA 0.011 nan 4.556 nan 0.000 0.313 43 H C -0.988 174.088 175.328 -0.420 0.000 0.997 43 H CA 0.620 56.241 56.048 -0.713 0.000 1.438 43 H CB 1.268 30.743 29.762 -0.478 0.000 1.455 43 H HN -0.624 7.308 8.280 -0.579 0.000 0.575 44 P HA -0.197 nan 4.420 nan 0.000 0.217 44 P C 0.360 177.305 177.300 -0.590 0.000 1.162 44 P CA 2.205 64.833 63.100 -0.788 0.000 0.901 44 P CB 0.028 31.229 31.700 -0.832 0.000 0.793 45 G N -4.570 103.805 108.800 -0.708 0.000 3.562 45 G HA2 0.043 nan 3.960 nan 0.000 0.279 45 G HA3 0.043 nan 3.960 nan 0.000 0.279 45 G C -1.092 173.723 174.900 -0.141 0.000 1.314 45 G CA -1.091 43.826 45.100 -0.305 0.000 1.189 45 G HN -0.239 7.263 8.290 -1.313 0.000 0.562 46 G N 0.436 109.144 108.800 -0.154 0.000 2.764 46 G HA2 -0.342 nan 3.960 nan 0.000 0.686 46 G HA3 -0.342 nan 3.960 nan 0.000 0.686 46 G C 0.512 175.434 174.900 0.037 0.000 1.258 46 G CA -0.452 44.606 45.100 -0.070 0.000 0.846 46 G HN -0.724 7.304 8.290 -0.267 0.102 0.596 47 Q N 2.865 122.647 119.800 -0.030 0.000 2.364 47 Q HA -0.389 nan 4.340 nan 0.000 0.207 47 Q C 0.853 176.793 176.000 -0.100 0.000 0.970 47 Q CA 2.652 58.426 55.803 -0.049 0.000 0.888 47 Q CB -0.323 28.379 28.738 -0.059 0.000 0.951 47 Q HN 0.448 8.682 8.270 -0.060 0.000 0.469 48 D N 0.240 120.536 120.400 -0.174 0.000 2.123 48 D HA -0.275 nan 4.640 nan 0.000 0.196 48 D C 1.909 177.851 176.300 -0.596 0.000 0.992 48 D CA 3.414 57.162 54.000 -0.420 0.000 0.833 48 D CB -0.719 39.685 40.800 -0.660 0.000 0.954 48 D HN 0.166 8.393 8.370 -0.144 0.056 0.455 49 V N -0.683 118.978 119.914 -0.422 0.000 2.332 49 V HA -0.394 nan 4.120 nan 0.000 0.248 49 V C 2.085 178.042 176.094 -0.229 0.000 1.055 49 V CA 3.760 65.846 62.300 -0.356 0.000 1.038 49 V CB -0.576 31.046 31.823 -0.335 0.000 0.651 49 V HN -0.507 7.503 8.190 -0.299 0.000 0.450 50 I N -1.547 118.898 120.570 -0.208 0.000 2.202 50 I HA -0.550 nan 4.170 nan 0.000 0.242 50 I C 2.177 178.296 176.117 0.005 0.000 1.091 50 I CA 3.425 64.658 61.300 -0.112 0.000 1.368 50 I CB -0.373 37.563 38.000 -0.107 0.000 1.058 50 I HN -0.791 7.276 8.210 -0.238 0.000 0.410 51 K N 0.979 121.396 120.400 0.029 0.000 2.020 51 K HA -0.352 nan 4.320 nan 0.000 0.212 51 K C 2.872 179.653 176.600 0.303 0.000 1.050 51 K CA 3.629 60.012 56.287 0.161 0.000 0.929 51 K CB -0.166 32.460 32.500 0.211 0.000 0.714 51 K HN -0.075 8.089 8.250 -0.043 0.060 0.443 52 F N -5.136 114.824 119.950 0.018 0.000 2.408 52 F HA -0.182 nan 4.527 nan 0.000 0.300 52 F C 0.770 176.589 175.800 0.030 0.000 1.090 52 F CA 0.996 59.014 58.000 0.029 0.000 1.427 52 F CB -0.608 38.420 39.000 0.045 0.000 1.070 52 F HN 0.258 8.751 8.300 0.321 0.000 0.549 53 N N -3.339 115.476 118.700 0.192 0.000 2.351 53 N HA 0.107 nan 4.740 nan 0.000 0.254 53 N C -1.782 173.786 175.510 0.096 0.000 1.241 53 N CA -0.620 52.504 53.050 0.123 0.000 0.883 53 N CB 0.866 39.409 38.487 0.093 0.000 1.202 53 N HN -0.536 7.791 8.380 0.159 0.148 0.512 54 A N -1.237 121.645 122.820 0.103 0.000 2.302 54 A HA 0.491 nan 4.320 nan 0.000 0.285 54 A C 0.262 177.908 177.584 0.103 0.000 1.105 54 A CA -0.183 51.917 52.037 0.105 0.000 0.816 54 A CB 0.684 19.752 19.000 0.114 0.000 1.067 54 A HN -0.644 7.577 8.150 0.119 0.000 0.489 55 G N 1.809 110.687 108.800 0.131 0.000 2.299 55 G HA2 -0.445 nan 3.960 nan 0.000 0.237 55 G HA3 -0.445 nan 3.960 nan 0.000 0.237 55 G C -0.229 174.733 174.900 0.103 0.000 1.027 55 G CA 0.347 45.522 45.100 0.125 0.000 0.619 55 G HN 0.789 9.174 8.290 0.158 0.000 0.513 56 K N 1.422 121.874 120.400 0.085 0.000 2.318 56 K HA 0.133 nan 4.320 nan 0.000 0.243 56 K C -1.902 174.740 176.600 0.069 0.000 1.047 56 K CA -0.525 55.805 56.287 0.071 0.000 0.937 56 K CB 1.042 33.583 32.500 0.067 0.000 1.225 56 K HN -0.815 7.370 8.250 0.087 0.118 0.506 57 D N -1.616 118.819 120.400 0.059 0.000 2.396 57 D HA 0.217 nan 4.640 nan 0.000 0.225 57 D C -0.333 176.003 176.300 0.061 0.000 1.121 57 D CA 0.035 54.067 54.000 0.053 0.000 0.853 57 D CB 0.600 41.429 40.800 0.048 0.000 1.043 57 D HN 0.040 8.336 8.370 0.057 0.109 0.500 58 V N 6.421 126.371 119.914 0.059 0.000 3.596 58 V HA 0.166 nan 4.120 nan 0.000 0.289 58 V C 0.721 176.869 176.094 0.089 0.000 1.336 58 V CA -0.479 61.861 62.300 0.066 0.000 1.137 58 V CB -0.138 31.715 31.823 0.050 0.000 0.966 58 V HN 0.454 8.675 8.190 0.051 0.000 0.428 59 T N 2.992 117.600 114.554 0.089 0.000 2.684 59 T HA -0.498 nan 4.350 nan 0.000 0.267 59 T C 1.036 175.829 174.700 0.155 0.000 1.032 59 T CA 5.025 67.202 62.100 0.130 0.000 1.155 59 T CB -1.126 67.802 68.868 0.100 0.000 0.857 59 T HN -0.331 7.903 8.240 0.068 0.047 0.457 60 A N 0.751 123.643 122.820 0.119 0.000 1.948 60 A HA -0.248 nan 4.320 nan 0.000 0.220 60 A C 1.810 179.469 177.584 0.124 0.000 1.177 60 A CA 2.932 55.037 52.037 0.112 0.000 0.636 60 A CB -0.944 18.115 19.000 0.099 0.000 0.815 60 A HN 0.140 8.327 8.150 0.102 0.025 0.449 61 I N -3.430 117.217 120.570 0.130 0.000 2.339 61 I HA -0.229 nan 4.170 nan 0.000 0.245 61 I C 1.378 177.591 176.117 0.160 0.000 1.096 61 I CA 1.368 62.730 61.300 0.104 0.000 1.408 61 I CB -0.838 37.175 38.000 0.022 0.000 1.092 61 I HN -0.383 7.872 8.210 0.126 0.030 0.423 62 F N 0.345 120.331 119.950 0.061 0.000 2.053 62 F HA -0.315 nan 4.527 nan 0.000 0.292 62 F C 2.184 178.095 175.800 0.186 0.000 1.125 62 F CA 3.557 61.612 58.000 0.092 0.000 1.193 62 F CB 0.804 39.725 39.000 -0.131 0.000 0.996 62 F HN -0.877 7.512 8.300 0.278 0.078 0.470 63 E N -0.404 119.990 120.200 0.323 0.000 2.097 63 E HA -0.213 nan 4.350 nan 0.000 0.196 63 E C -0.360 176.281 176.600 0.068 0.000 1.000 63 E CA 4.312 60.834 56.400 0.204 0.000 0.804 63 E CB -1.826 27.989 29.700 0.192 0.000 0.740 63 E HN 0.145 8.612 8.360 0.355 0.105 0.454 64 P HA -0.014 nan 4.420 nan 0.000 0.249 64 P C -0.511 176.757 177.300 -0.053 0.000 1.229 64 P CA 0.849 63.955 63.100 0.009 0.000 0.788 64 P CB -0.021 31.696 31.700 0.028 0.000 1.072 65 L N -2.346 118.807 121.223 -0.118 0.000 3.229 65 L HA 0.174 nan 4.340 nan 0.000 0.286 65 L C -1.742 174.728 176.870 -0.667 0.000 1.239 65 L CA 0.017 54.670 54.840 -0.311 0.000 1.035 65 L CB 1.739 43.620 42.059 -0.295 0.000 1.408 65 L HN -0.443 7.670 8.230 -0.066 0.078 0.593 66 H N -1.543 117.309 119.070 -0.362 0.000 2.856 66 H HA 0.209 nan 4.556 nan 0.000 0.355 66 H C -1.018 174.191 175.328 -0.199 0.000 1.079 66 H CA -0.990 54.821 56.048 -0.396 0.000 1.240 66 H CB 3.149 32.366 29.762 -0.908 0.000 1.701 66 H HN -0.797 7.366 8.280 -0.195 0.000 0.527 67 A N 5.414 128.246 122.820 0.021 0.000 2.512 67 A HA 0.014 nan 4.320 nan 0.000 0.278 67 A C -0.579 177.063 177.584 0.096 0.000 1.128 67 A CA -1.586 50.494 52.037 0.071 0.000 0.818 67 A CB -1.027 18.050 19.000 0.129 0.000 1.044 67 A HN 0.679 8.833 8.150 0.006 0.000 0.526 68 P HA -0.403 nan 4.420 nan 0.000 0.216 68 P C 0.889 178.250 177.300 0.103 0.000 1.167 68 P CA 2.715 65.864 63.100 0.082 0.000 0.914 68 P CB -0.543 31.192 31.700 0.057 0.000 0.793 69 N N -3.257 115.488 118.700 0.076 0.000 2.396 69 N HA -0.319 nan 4.740 nan 0.000 0.191 69 N C 2.244 177.799 175.510 0.075 0.000 1.015 69 N CA 2.451 55.533 53.050 0.053 0.000 0.893 69 N CB -0.900 37.608 38.487 0.035 0.000 0.956 69 N HN 0.352 8.773 8.380 0.067 0.000 0.445 70 V N -4.579 115.437 119.914 0.170 0.000 2.392 70 V HA -0.390 nan 4.120 nan 0.000 0.249 70 V C 1.584 177.792 176.094 0.190 0.000 1.059 70 V CA 2.855 65.325 62.300 0.284 0.000 1.051 70 V CB -1.376 30.694 31.823 0.411 0.000 0.658 70 V HN 0.158 8.382 8.190 0.182 0.075 0.455 71 I N 0.052 120.662 120.570 0.067 0.000 2.163 71 I HA -0.519 nan 4.170 nan 0.000 0.240 71 I C 1.401 177.461 176.117 -0.095 0.000 1.081 71 I CA 4.201 65.421 61.300 -0.134 0.000 1.353 71 I CB -0.631 37.149 38.000 -0.367 0.000 1.054 71 I HN -0.731 7.551 8.210 0.120 0.000 0.407 72 D N -3.301 117.058 120.400 -0.068 0.000 2.350 72 D HA -0.222 nan 4.640 nan 0.000 0.216 72 D C 2.071 178.321 176.300 -0.084 0.000 0.968 72 D CA 3.241 57.205 54.000 -0.061 0.000 0.894 72 D CB -0.887 39.883 40.800 -0.051 0.000 0.909 72 D HN 0.294 8.637 8.370 -0.046 0.000 0.520 73 K N -1.435 118.890 120.400 -0.124 0.000 2.335 73 K HA -0.031 nan 4.320 nan 0.000 0.195 73 K C 0.433 176.774 176.600 -0.431 0.000 1.058 73 K CA 1.675 57.784 56.287 -0.296 0.000 0.988 73 K CB 0.858 33.125 32.500 -0.387 0.000 0.880 73 K HN -0.778 7.236 8.250 -0.073 0.192 0.513 74 Y N -4.753 115.568 120.300 0.035 0.000 2.585 74 Y HA 0.068 nan 4.550 nan 0.000 0.272 74 Y C 0.007 175.922 175.900 0.024 0.000 1.119 74 Y CA 0.609 58.752 58.100 0.072 0.000 1.255 74 Y CB 2.652 41.230 38.460 0.196 0.000 1.284 74 Y HN -0.373 7.918 8.280 0.017 0.000 0.499 75 I N 0.649 121.255 120.570 0.061 0.000 2.363 75 I HA -0.080 nan 4.170 nan 0.000 0.292 75 I C -0.319 175.807 176.117 0.015 0.000 1.075 75 I CA -1.223 60.065 61.300 -0.020 0.000 1.333 75 I CB -1.304 36.591 38.000 -0.175 0.000 1.415 75 I HN -0.166 8.058 8.210 0.023 0.000 0.502 76 A N 10.352 133.201 122.820 0.048 0.000 2.511 76 A HA 0.123 nan 4.320 nan 0.000 0.242 76 A C -0.643 176.962 177.584 0.035 0.000 1.069 76 A CA -1.492 50.570 52.037 0.042 0.000 0.763 76 A CB -0.446 18.587 19.000 0.054 0.000 1.001 76 A HN 0.249 8.444 8.150 0.075 0.000 0.498 77 P HA -0.134 nan 4.420 nan 0.000 0.223 77 P C 0.525 177.844 177.300 0.031 0.000 1.151 77 P CA 2.179 65.304 63.100 0.041 0.000 0.787 77 P CB -0.116 31.604 31.700 0.032 0.000 0.788 78 E N -1.505 118.705 120.200 0.017 0.000 2.511 78 E HA -0.109 nan 4.350 nan 0.000 0.196 78 E C 0.967 177.553 176.600 -0.023 0.000 1.066 78 E CA 1.718 58.116 56.400 -0.003 0.000 0.871 78 E CB -1.183 28.519 29.700 0.004 0.000 0.863 78 E HN 0.468 8.809 8.360 0.022 0.032 0.520 79 K N -2.718 117.678 120.400 -0.005 0.000 2.353 79 K HA 0.154 nan 4.320 nan 0.000 0.195 79 K C -0.509 176.070 176.600 -0.034 0.000 1.031 79 K CA -0.260 56.011 56.287 -0.026 0.000 1.079 79 K CB 0.933 33.447 32.500 0.024 0.000 0.857 79 K HN 0.092 8.179 8.250 0.019 0.174 0.535 80 K N 2.238 122.657 120.400 0.032 0.000 2.111 80 K HA -0.041 nan 4.320 nan 0.000 0.249 80 K C -1.322 175.136 176.600 -0.238 0.000 1.157 80 K CA -0.361 56.013 56.287 0.144 0.000 1.048 80 K CB -1.109 31.574 32.500 0.305 0.000 1.498 80 K HN -0.423 7.647 8.250 0.028 0.197 0.344 81 L N 1.986 122.842 121.223 -0.612 0.000 2.417 81 L HA 0.000 nan 4.340 nan 0.000 0.268 81 L C 0.752 176.715 176.870 -1.511 0.000 1.158 81 L CA -0.065 54.268 54.840 -0.846 0.000 0.819 81 L CB 0.563 42.103 42.059 -0.865 0.000 1.112 81 L HN -0.627 7.245 8.230 -0.597 0.000 0.458 82 G N 0.368 108.526 108.800 -1.070 0.000 2.750 82 G HA2 -0.014 nan 3.960 nan 0.000 0.250 82 G HA3 -0.014 nan 3.960 nan 0.000 0.250 82 G C -1.753 172.735 174.900 -0.685 0.000 1.230 82 G CA -1.031 43.515 45.100 -0.925 0.000 0.883 82 G HN 0.239 8.121 8.290 -0.680 0.000 0.573 83 P HA -0.184 nan 4.420 nan 0.000 0.263 83 P C -1.851 175.397 177.300 -0.087 0.000 1.195 83 P CA 0.100 63.184 63.100 -0.027 0.000 0.762 83 P CB 0.580 32.337 31.700 0.095 0.000 0.799 84 L N 2.921 124.097 121.223 -0.079 0.000 2.319 84 L HA 0.061 nan 4.340 nan 0.000 0.280 84 L C -0.193 176.668 176.870 -0.014 0.000 1.099 84 L CA -0.717 54.091 54.840 -0.053 0.000 0.828 84 L CB 1.164 43.194 42.059 -0.047 0.000 1.150 84 L HN 0.238 8.429 8.230 -0.064 0.000 0.442 85 Q N 6.385 126.180 119.800 -0.008 0.000 2.371 85 Q HA -0.323 nan 4.340 nan 0.000 0.254 85 Q C 1.047 177.052 176.000 0.008 0.000 1.264 85 Q CA 1.032 56.837 55.803 0.002 0.000 0.904 85 Q CB -1.739 27.002 28.738 0.004 0.000 1.507 85 Q HN -0.003 8.259 8.270 -0.013 0.000 0.495 86 G N 6.519 115.325 108.800 0.010 0.000 3.181 86 G HA2 -0.498 nan 3.960 nan 0.000 0.322 86 G HA3 -0.498 nan 3.960 nan 0.000 0.322 86 G C -0.616 174.294 174.900 0.016 0.000 1.246 86 G CA 0.899 46.007 45.100 0.013 0.000 0.989 86 G HN 0.237 8.498 8.290 0.010 0.035 0.607 87 S N 2.007 117.716 115.700 0.016 0.000 2.548 87 S HA 0.235 nan 4.470 nan 0.000 0.286 87 S C -0.791 173.822 174.600 0.021 0.000 1.098 87 S CA -1.119 57.093 58.200 0.020 0.000 0.930 87 S CB 2.089 65.301 63.200 0.021 0.000 1.070 87 S HN -0.202 8.092 8.310 0.015 0.025 0.480 88 M N 4.798 124.414 119.600 0.026 0.000 2.219 88 M HA 0.203 nan 4.480 nan 0.000 0.353 88 M C -1.628 174.687 176.300 0.026 0.000 1.304 88 M CA -2.709 52.608 55.300 0.029 0.000 1.115 88 M CB -0.636 31.985 32.600 0.035 0.000 1.664 88 M HN 0.123 8.429 8.290 0.027 0.000 0.459 89 P HA 0.140 nan 4.420 nan 0.000 0.266 89 P C -1.382 175.930 177.300 0.021 0.000 1.195 89 P CA -0.762 62.349 63.100 0.019 0.000 0.768 89 P CB -0.852 30.857 31.700 0.014 0.000 0.838 90 P HA -0.401 nan 4.420 nan 0.000 0.226 90 P C 1.466 178.780 177.300 0.024 0.000 0.981 90 P CA 2.836 65.948 63.100 0.021 0.000 1.055 90 P CB -0.010 31.700 31.700 0.016 0.000 0.721 91 E N -3.771 116.442 120.200 0.022 0.000 2.311 91 E HA 0.033 nan 4.350 nan 0.000 0.198 91 E C -0.168 176.450 176.600 0.031 0.000 1.115 91 E CA 0.007 56.423 56.400 0.026 0.000 1.140 91 E CB -0.838 28.875 29.700 0.022 0.000 1.204 91 E HN 0.332 8.703 8.360 0.019 0.000 0.446 92 L N -1.866 119.377 121.223 0.032 0.000 3.014 92 L HA 0.295 nan 4.340 nan 0.000 0.263 92 L C -1.786 175.110 176.870 0.044 0.000 1.207 92 L CA -0.288 54.574 54.840 0.038 0.000 1.017 92 L CB 0.848 42.928 42.059 0.034 0.000 1.360 92 L HN 0.016 8.078 8.230 0.030 0.187 0.560 93 V N -8.216 111.724 119.914 0.045 0.000 2.483 93 V HA 0.540 nan 4.120 nan 0.000 0.297 93 V C -0.058 176.070 176.094 0.057 0.000 1.027 93 V CA -3.226 59.104 62.300 0.050 0.000 0.855 93 V CB 1.101 32.950 31.823 0.044 0.000 0.995 93 V HN -0.696 7.457 8.190 0.042 0.062 0.424 94 C N 8.913 128.253 119.300 0.067 0.000 2.662 94 C HA 0.220 nan 4.460 nan 0.000 0.420 94 C C -0.888 174.151 174.990 0.081 0.000 1.314 94 C CA -0.514 58.551 59.018 0.080 0.000 1.963 94 C CB -0.812 26.983 27.740 0.091 0.000 2.686 94 C HN 0.444 8.715 8.230 0.068 0.000 0.609 95 P HA 0.269 nan 4.420 nan 0.000 0.275 95 P C -2.690 174.674 177.300 0.107 0.000 1.228 95 P CA -1.285 61.865 63.100 0.082 0.000 0.786 95 P CB -0.566 31.178 31.700 0.072 0.000 0.927 96 P HA 0.020 nan 4.420 nan 0.000 0.272 96 P C -1.763 175.634 177.300 0.161 0.000 1.223 96 P CA 0.089 63.264 63.100 0.125 0.000 0.784 96 P CB 0.492 32.246 31.700 0.089 0.000 0.923 97 Y N 4.403 124.717 120.300 0.024 0.000 2.637 97 Y HA -0.207 nan 4.550 nan 0.000 0.350 97 Y C -1.240 174.662 175.900 0.002 0.000 1.069 97 Y CA 0.255 58.362 58.100 0.012 0.000 1.397 97 Y CB -0.537 37.920 38.460 -0.006 0.000 1.163 97 Y HN 0.371 8.804 8.280 0.256 0.000 0.527 98 A N 9.158 131.851 122.820 -0.212 0.000 3.158 98 A HA 0.336 nan 4.320 nan 0.000 0.302 98 A C -3.034 174.373 177.584 -0.296 0.000 1.162 98 A CA -1.968 49.914 52.037 -0.259 0.000 0.824 98 A CB 0.688 19.634 19.000 -0.091 0.000 1.322 98 A HN -0.002 8.056 8.150 -0.112 0.024 0.510 99 P HA -0.056 nan 4.420 nan 0.000 0.264 99 P C 0.134 177.339 177.300 -0.159 0.000 1.193 99 P CA 1.172 64.084 63.100 -0.314 0.000 0.763 99 P CB -0.120 31.345 31.700 -0.391 0.000 0.810 100 G N 2.607 111.362 108.800 -0.075 0.000 2.148 100 G HA2 -0.373 nan 3.960 nan 0.000 0.254 100 G HA3 -0.373 nan 3.960 nan 0.000 0.254 100 G C -0.394 174.488 174.900 -0.030 0.000 0.981 100 G CA 0.106 45.184 45.100 -0.036 0.000 0.670 100 G HN 0.369 8.625 8.290 -0.057 0.000 0.528 101 E N 0.502 120.678 120.200 -0.041 0.000 4.126 101 E HA 0.133 nan 4.350 nan 0.000 0.314 101 E C -0.205 176.388 176.600 -0.013 0.000 1.438 101 E CA -0.317 56.068 56.400 -0.025 0.000 1.682 101 E CB 1.388 31.071 29.700 -0.029 0.000 1.454 101 E HN -0.532 7.753 8.360 -0.060 0.038 0.810 102 T N -4.324 110.225 114.554 -0.008 0.000 2.611 102 T HA 0.268 nan 4.350 nan 0.000 0.269 102 T C 0.977 175.676 174.700 -0.001 0.000 1.032 102 T CA -0.189 61.909 62.100 -0.003 0.000 1.178 102 T CB 0.534 69.400 68.868 -0.002 0.000 1.651 102 T HN -0.147 8.087 8.240 -0.009 0.000 0.456 103 K N -0.145 120.255 120.400 -0.000 0.000 2.442 103 K HA -0.094 nan 4.320 nan 0.000 0.198 103 K C 1.839 178.437 176.600 -0.003 0.000 1.042 103 K CA 0.854 57.142 56.287 0.000 0.000 0.958 103 K CB -0.702 31.798 32.500 0.001 0.000 0.766 103 K HN 0.257 8.507 8.250 0.000 0.000 0.474 104 E N -0.070 120.127 120.200 -0.006 0.000 2.399 104 E HA -0.478 nan 4.350 nan 0.000 0.231 104 E C 1.212 177.804 176.600 -0.013 0.000 1.124 104 E CA 3.053 59.446 56.400 -0.011 0.000 0.941 104 E CB -0.355 29.337 29.700 -0.014 0.000 0.790 104 E HN -0.082 8.220 8.360 -0.006 0.055 0.461 105 D N -2.693 117.702 120.400 -0.009 0.000 2.411 105 D HA -0.226 nan 4.640 nan 0.000 0.226 105 D C 1.093 177.388 176.300 -0.008 0.000 0.988 105 D CA 2.292 56.288 54.000 -0.007 0.000 0.938 105 D CB -0.499 40.301 40.800 -0.001 0.000 0.883 105 D HN -0.102 8.194 8.370 -0.006 0.071 0.525 106 I N -1.649 118.916 120.570 -0.008 0.000 2.681 106 I HA -0.117 nan 4.170 nan 0.000 0.247 106 I C 1.216 177.325 176.117 -0.014 0.000 1.091 106 I CA 0.734 62.029 61.300 -0.009 0.000 1.442 106 I CB -0.340 37.657 38.000 -0.005 0.000 1.219 106 I HN -0.275 7.892 8.210 -0.007 0.039 0.451 107 A N 0.346 123.156 122.820 -0.016 0.000 1.958 107 A HA -0.406 nan 4.320 nan 0.000 0.221 107 A C 2.263 179.829 177.584 -0.031 0.000 1.178 107 A CA 3.231 55.255 52.037 -0.021 0.000 0.642 107 A CB -0.762 18.225 19.000 -0.022 0.000 0.816 107 A HN 0.067 8.209 8.150 -0.014 0.000 0.453 108 R N -3.685 116.794 120.500 -0.034 0.000 2.115 108 R HA -0.243 nan 4.340 nan 0.000 0.226 108 R C 2.406 178.683 176.300 -0.039 0.000 1.100 108 R CA 3.349 59.421 56.100 -0.046 0.000 0.980 108 R CB -0.042 30.232 30.300 -0.043 0.000 0.875 108 R HN -0.093 8.146 8.270 -0.029 0.014 0.445 109 K N -1.268 119.115 120.400 -0.027 0.000 2.296 109 K HA -0.195 nan 4.320 nan 0.000 0.200 109 K C 2.166 178.752 176.600 -0.024 0.000 1.048 109 K CA 2.817 59.090 56.287 -0.024 0.000 0.966 109 K CB -0.069 32.423 32.500 -0.014 0.000 0.754 109 K HN -0.098 8.030 8.250 -0.022 0.109 0.466 110 E N -1.322 118.864 120.200 -0.022 0.000 2.250 110 E HA -0.121 nan 4.350 nan 0.000 0.192 110 E C 2.520 179.106 176.600 -0.023 0.000 0.986 110 E CA 1.757 58.146 56.400 -0.018 0.000 0.849 110 E CB -0.955 28.737 29.700 -0.013 0.000 0.797 110 E HN -0.057 8.177 8.360 -0.022 0.113 0.482 111 Q N 1.239 121.019 119.800 -0.032 0.000 2.014 111 Q HA -0.308 nan 4.340 nan 0.000 0.207 111 Q C 1.811 177.782 176.000 -0.048 0.000 0.993 111 Q CA 2.793 58.571 55.803 -0.042 0.000 0.850 111 Q CB -0.252 28.449 28.738 -0.062 0.000 0.916 111 Q HN -0.123 8.128 8.270 -0.033 0.000 0.417 112 L N -4.056 117.132 121.223 -0.057 0.000 2.127 112 L HA -0.272 nan 4.340 nan 0.000 0.211 112 L C 0.466 177.304 176.870 -0.053 0.000 1.089 112 L CA 1.837 56.635 54.840 -0.070 0.000 0.757 112 L CB 0.236 42.255 42.059 -0.065 0.000 0.899 112 L HN -0.179 7.910 8.230 -0.054 0.108 0.434 113 K N -0.628 119.753 120.400 -0.032 0.000 2.166 113 K HA -0.149 nan 4.320 nan 0.000 0.273 113 K C -0.334 176.261 176.600 -0.009 0.000 1.095 113 K CA 0.397 56.672 56.287 -0.019 0.000 0.985 113 K CB -1.330 31.163 32.500 -0.011 0.000 1.172 113 K HN -0.668 7.387 8.250 -0.029 0.177 0.401 114 S N 0.195 115.889 115.700 -0.009 0.000 2.967 114 S HA -0.400 nan 4.470 nan 0.000 0.297 114 S C -0.037 174.579 174.600 0.026 0.000 1.312 114 S CA 1.863 60.071 58.200 0.014 0.000 1.163 114 S CB -0.549 62.664 63.200 0.022 0.000 1.377 114 S HN 0.431 8.697 8.310 -0.024 0.029 0.724 115 L N -1.069 120.162 121.223 0.013 0.000 2.395 115 L HA -0.111 nan 4.340 nan 0.000 0.218 115 L C 0.211 177.101 176.870 0.034 0.000 1.130 115 L CA 0.586 55.437 54.840 0.019 0.000 0.826 115 L CB 0.541 42.603 42.059 0.005 0.000 0.941 115 L HN -0.393 7.723 8.230 -0.003 0.112 0.451 116 L N 1.875 123.114 121.223 0.025 0.000 2.601 116 L HA -0.127 nan 4.340 nan 0.000 0.277 116 L C -1.365 175.598 176.870 0.156 0.000 1.219 116 L CA -0.895 53.984 54.840 0.064 0.000 0.915 116 L CB -0.447 41.575 42.059 -0.062 0.000 1.160 116 L HN -0.763 7.443 8.230 -0.005 0.021 0.494 117 P HA 0.125 nan 4.420 nan 0.000 0.266 117 P C -1.921 175.481 177.300 0.169 0.000 1.195 117 P CA -1.480 61.701 63.100 0.135 0.000 0.768 117 P CB -0.650 31.104 31.700 0.091 0.000 0.838 118 P HA -0.091 nan 4.420 nan 0.000 0.264 118 P C 0.902 178.198 177.300 -0.006 0.000 1.193 118 P CA 0.032 63.180 63.100 0.080 0.000 0.763 118 P CB 0.861 32.588 31.700 0.045 0.000 0.810 119 L N 5.076 126.256 121.223 -0.071 0.000 2.151 119 L HA -0.389 nan 4.340 nan 0.000 0.215 119 L C 1.778 178.552 176.870 -0.159 0.000 1.084 119 L CA 2.756 57.449 54.840 -0.246 0.000 0.764 119 L CB -0.940 40.998 42.059 -0.202 0.000 0.891 119 L HN 0.428 8.673 8.230 0.026 0.000 0.435 120 D N -2.799 117.551 120.400 -0.082 0.000 2.348 120 D HA -0.110 nan 4.640 nan 0.000 0.216 120 D C 1.628 177.882 176.300 -0.077 0.000 0.970 120 D CA 2.673 56.633 54.000 -0.066 0.000 0.889 120 D CB -0.535 40.244 40.800 -0.035 0.000 0.912 120 D HN 0.363 8.665 8.370 -0.053 0.036 0.524 121 N N -1.703 116.947 118.700 -0.084 0.000 2.336 121 N HA 0.058 nan 4.740 nan 0.000 0.189 121 N C -0.562 174.868 175.510 -0.134 0.000 1.113 121 N CA -0.514 52.487 53.050 -0.082 0.000 0.858 121 N CB 0.314 38.771 38.487 -0.050 0.000 0.970 121 N HN 0.180 8.385 8.380 -0.076 0.129 0.471 122 I N 1.779 122.218 120.570 -0.218 0.000 2.517 122 I HA -0.222 nan 4.170 nan 0.000 0.285 122 I C -0.698 175.259 176.117 -0.266 0.000 1.106 122 I CA -0.044 61.053 61.300 -0.340 0.000 1.402 122 I CB -1.175 36.462 38.000 -0.606 0.000 1.399 122 I HN -0.527 7.397 8.210 -0.222 0.154 0.535 123 I N 5.381 125.823 120.570 -0.213 0.000 3.526 123 I HA -0.034 nan 4.170 nan 0.000 0.294 123 I C -0.730 175.303 176.117 -0.140 0.000 1.229 123 I CA 0.918 62.133 61.300 -0.141 0.000 1.408 123 I CB 1.005 38.954 38.000 -0.085 0.000 1.127 123 I HN 0.383 8.658 8.210 -0.195 -0.182 0.439 124 N N -2.766 115.828 118.700 -0.176 0.000 2.647 124 N HA 0.219 nan 4.740 nan 0.000 0.266 124 N C 0.433 175.800 175.510 -0.238 0.000 1.373 124 N CA -1.017 51.939 53.050 -0.157 0.000 0.807 124 N CB 2.134 40.586 38.487 -0.058 0.000 1.513 124 N HN -0.532 8.035 8.380 -0.225 -0.322 0.505 125 L N 0.292 121.378 121.223 -0.228 0.000 2.189 125 L HA -0.316 nan 4.340 nan 0.000 0.214 125 L C 1.243 178.026 176.870 -0.145 0.000 1.097 125 L CA 3.123 57.881 54.840 -0.137 0.000 0.764 125 L CB -0.436 41.435 42.059 -0.312 0.000 0.900 125 L HN 0.722 8.805 8.230 -0.245 0.000 0.436 126 Y N -4.376 115.920 120.300 -0.006 0.000 2.497 126 Y HA -0.374 nan 4.550 nan 0.000 0.292 126 Y C 1.810 177.719 175.900 0.014 0.000 1.137 126 Y CA 2.046 60.153 58.100 0.012 0.000 1.285 126 Y CB -1.303 37.150 38.460 -0.011 0.000 0.991 126 Y HN -0.154 7.794 8.280 -0.539 0.009 0.556 127 D N -0.079 120.336 120.400 0.025 0.000 2.194 127 D HA -0.152 nan 4.640 nan 0.000 0.204 127 D C 2.132 178.460 176.300 0.047 0.000 0.964 127 D CA 3.408 57.401 54.000 -0.010 0.000 0.846 127 D CB -0.424 40.257 40.800 -0.198 0.000 0.962 127 D HN 0.237 8.370 8.370 -0.110 0.171 0.490 128 F N -0.389 119.613 119.950 0.087 0.000 2.186 128 F HA -0.253 nan 4.527 nan 0.000 0.299 128 F C 2.029 177.853 175.800 0.040 0.000 1.090 128 F CA 3.010 61.074 58.000 0.106 0.000 1.307 128 F CB -0.411 38.645 39.000 0.094 0.000 1.019 128 F HN -0.704 7.541 8.300 -0.091 0.000 0.489 129 E N 0.184 120.491 120.200 0.178 0.000 2.012 129 E HA -0.475 nan 4.350 nan 0.000 0.197 129 E C 1.947 178.448 176.600 -0.165 0.000 1.007 129 E CA 3.426 59.729 56.400 -0.162 0.000 0.816 129 E CB -0.238 29.449 29.700 -0.022 0.000 0.762 129 E HN -0.677 7.830 8.360 0.245 0.000 0.451 130 Y N 0.749 121.004 120.300 -0.076 0.000 2.040 130 Y HA -0.479 nan 4.550 nan 0.000 0.275 130 Y C 2.010 177.823 175.900 -0.145 0.000 1.171 130 Y CA 3.168 61.201 58.100 -0.113 0.000 1.123 130 Y CB -0.067 38.360 38.460 -0.055 0.000 0.963 130 Y HN -0.606 7.795 8.280 0.202 0.000 0.493 131 L N -2.307 118.771 121.223 -0.242 0.000 1.997 131 L HA -0.500 nan 4.340 nan 0.000 0.216 131 L C 2.555 179.253 176.870 -0.287 0.000 1.074 131 L CA 2.697 57.396 54.840 -0.236 0.000 0.763 131 L CB -1.341 40.766 42.059 0.080 0.000 0.890 131 L HN 0.026 8.306 8.230 0.083 0.000 0.434 132 A N -2.563 120.148 122.820 -0.182 0.000 1.969 132 A HA -0.350 nan 4.320 nan 0.000 0.218 132 A C 2.086 179.443 177.584 -0.379 0.000 1.169 132 A CA 3.290 55.252 52.037 -0.124 0.000 0.635 132 A CB -0.802 18.248 19.000 0.084 0.000 0.810 132 A HN 0.162 8.187 8.150 -0.096 0.068 0.445 133 S N -1.494 113.674 115.700 -0.886 0.000 2.368 133 S HA -0.438 nan 4.470 nan 0.000 0.225 133 S C 2.230 176.305 174.600 -0.875 0.000 1.030 133 S CA 3.466 60.719 58.200 -1.578 0.000 0.999 133 S CB -0.609 61.559 63.200 -1.719 0.000 0.844 133 S HN 0.122 7.948 8.310 -0.806 0.000 0.459 134 Q N -0.112 119.283 119.800 -0.676 0.000 2.050 134 Q HA -0.239 nan 4.340 nan 0.000 0.202 134 Q C 3.043 178.873 176.000 -0.283 0.000 0.980 134 Q CA 2.665 58.196 55.803 -0.454 0.000 0.840 134 Q CB -0.205 28.253 28.738 -0.466 0.000 0.898 134 Q HN -0.461 7.335 8.270 -0.768 0.013 0.424 135 T N -5.832 108.581 114.554 -0.236 0.000 3.057 135 T HA 0.028 nan 4.350 nan 0.000 0.254 135 T C 0.727 175.382 174.700 -0.075 0.000 1.094 135 T CA 0.305 62.325 62.100 -0.133 0.000 1.088 135 T CB 0.164 68.963 68.868 -0.114 0.000 0.934 135 T HN -0.518 7.557 8.240 -0.276 0.000 0.497 136 L N 1.691 122.881 121.223 -0.055 0.000 2.439 136 L HA -0.013 nan 4.340 nan 0.000 0.269 136 L C -0.015 176.890 176.870 0.058 0.000 1.179 136 L CA -0.133 54.747 54.840 0.068 0.000 0.828 136 L CB 1.022 43.223 42.059 0.237 0.000 1.106 136 L HN -0.372 7.778 8.230 -0.133 0.000 0.467 137 T N 0.698 115.300 114.554 0.080 0.000 2.888 137 T HA -0.071 nan 4.350 nan 0.000 0.301 137 T C 1.655 176.407 174.700 0.087 0.000 1.001 137 T CA 0.129 62.260 62.100 0.051 0.000 1.147 137 T CB 0.263 69.148 68.868 0.029 0.000 0.931 137 T HN 0.276 8.573 8.240 0.096 0.000 0.541 138 K N 8.197 128.635 120.400 0.063 0.000 2.107 138 K HA -0.543 nan 4.320 nan 0.000 0.211 138 K C 1.789 178.433 176.600 0.072 0.000 1.049 138 K CA 4.142 60.488 56.287 0.097 0.000 0.927 138 K CB -0.208 32.318 32.500 0.044 0.000 0.714 138 K HN 0.073 8.560 8.250 0.029 -0.220 0.452 139 Q N -1.317 118.470 119.800 -0.021 0.000 1.975 139 Q HA -0.364 nan 4.340 nan 0.000 0.205 139 Q C 1.405 177.396 176.000 -0.015 0.000 0.990 139 Q CA 3.168 58.936 55.803 -0.060 0.000 0.845 139 Q CB -1.045 27.589 28.738 -0.173 0.000 0.913 139 Q HN 0.004 8.241 8.270 -0.055 0.000 0.420 140 A N -0.063 122.738 122.820 -0.032 0.000 1.869 140 A HA -0.343 nan 4.320 nan 0.000 0.218 140 A C 1.877 179.449 177.584 -0.020 0.000 1.203 140 A CA 2.903 54.863 52.037 -0.128 0.000 0.638 140 A CB -1.259 17.749 19.000 0.013 0.000 0.831 140 A HN -0.169 7.970 8.150 -0.018 0.000 0.450 141 W N -0.815 120.509 121.300 0.041 0.000 2.325 141 W HA -0.528 nan 4.660 nan 0.000 0.299 141 W C 1.614 178.186 176.519 0.089 0.000 1.215 141 W CA 2.814 60.234 57.345 0.126 0.000 1.244 141 W CB 0.266 29.771 29.460 0.076 0.000 1.140 141 W HN 0.065 8.448 8.180 0.339 0.000 0.523 142 A N -1.463 121.347 122.820 -0.017 0.000 1.902 142 A HA -0.364 nan 4.320 nan 0.000 0.217 142 A C 1.524 179.029 177.584 -0.131 0.000 1.181 142 A CA 3.096 55.073 52.037 -0.100 0.000 0.623 142 A CB -1.171 17.834 19.000 0.009 0.000 0.818 142 A HN 0.097 8.215 8.150 0.113 0.099 0.443 143 F N -0.001 119.799 119.950 -0.251 0.000 2.074 143 F HA -0.385 nan 4.527 nan 0.000 0.293 143 F C 1.294 176.952 175.800 -0.236 0.000 1.116 143 F CA 3.611 61.451 58.000 -0.267 0.000 1.212 143 F CB 0.362 39.145 39.000 -0.362 0.000 0.998 143 F HN -0.024 8.161 8.300 0.017 0.125 0.471 144 Y N -3.641 116.558 120.300 -0.169 0.000 2.165 144 Y HA -0.462 nan 4.550 nan 0.000 0.286 144 Y C 2.824 178.507 175.900 -0.361 0.000 1.155 144 Y CA 2.189 60.124 58.100 -0.274 0.000 1.164 144 Y CB -0.516 37.916 38.460 -0.046 0.000 0.978 144 Y HN 0.427 8.471 8.280 -0.393 0.000 0.513 145 S N -3.731 111.760 115.700 -0.349 0.000 2.558 145 S HA -0.087 nan 4.470 nan 0.000 0.217 145 S C 0.103 174.493 174.600 -0.350 0.000 0.975 145 S CA 1.360 59.295 58.200 -0.442 0.000 0.912 145 S CB 0.362 62.903 63.200 -1.099 0.000 0.776 145 S HN -0.080 7.941 8.310 -0.482 0.000 0.526 146 S N 0.820 116.313 115.700 -0.344 0.000 2.669 146 S HA 0.389 nan 4.470 nan 0.000 0.270 146 S C -0.141 174.270 174.600 -0.315 0.000 1.225 146 S CA 0.014 58.057 58.200 -0.262 0.000 0.991 146 S CB 1.906 64.991 63.200 -0.191 0.000 0.987 146 S HN -0.898 7.194 8.310 -0.363 0.000 0.552 147 G N -3.346 105.324 108.800 -0.217 0.000 2.630 147 G HA2 0.398 nan 3.960 nan 0.000 0.296 147 G HA3 0.398 nan 3.960 nan 0.000 0.296 147 G C -2.508 172.326 174.900 -0.111 0.000 1.285 147 G CA -1.575 43.398 45.100 -0.211 0.000 0.958 147 G HN -0.369 7.917 8.290 -0.135 -0.077 0.479 148 A N -1.398 121.373 122.820 -0.081 0.000 2.309 148 A HA 0.110 nan 4.320 nan 0.000 0.290 148 A C -0.928 176.642 177.584 -0.024 0.000 1.206 148 A CA -0.693 51.314 52.037 -0.051 0.000 0.850 148 A CB 0.349 19.325 19.000 -0.039 0.000 1.118 148 A HN 0.082 8.086 8.150 -0.076 0.100 0.523 149 N N 4.866 123.559 118.700 -0.011 0.000 2.781 149 N HA -0.293 nan 4.740 nan 0.000 0.267 149 N C -1.005 174.520 175.510 0.026 0.000 1.172 149 N CA 0.618 53.678 53.050 0.016 0.000 0.659 149 N CB -0.294 38.212 38.487 0.033 0.000 0.941 149 N HN 0.167 8.535 8.380 -0.020 0.000 0.563 150 D N -3.544 116.871 120.400 0.025 0.000 3.068 150 D HA -0.476 nan 4.640 nan 0.000 0.219 150 D C -0.039 176.261 176.300 0.001 0.000 1.175 150 D CA 1.744 55.761 54.000 0.029 0.000 0.942 150 D CB -1.380 39.456 40.800 0.059 0.000 1.127 150 D HN 0.549 8.932 8.370 0.021 0.000 0.404 151 E N -6.809 113.383 120.200 -0.014 0.000 2.791 151 E HA -0.511 nan 4.350 nan 0.000 0.271 151 E C 0.576 177.138 176.600 -0.064 0.000 1.044 151 E CA 0.734 57.132 56.400 -0.003 0.000 0.814 151 E CB -1.580 28.165 29.700 0.075 0.000 1.400 151 E HN -0.035 8.194 8.360 -0.015 0.122 0.423 152 V N -4.865 114.916 119.914 -0.222 0.000 2.488 152 V HA -0.125 nan 4.120 nan 0.000 0.246 152 V C 0.763 176.705 176.094 -0.255 0.000 1.046 152 V CA 4.086 66.207 62.300 -0.298 0.000 1.053 152 V CB -0.251 31.252 31.823 -0.534 0.000 0.679 152 V HN -0.443 7.882 8.190 -0.279 -0.302 0.458 153 T N 3.121 117.529 114.554 -0.244 0.000 2.929 153 T HA -0.293 nan 4.350 nan 0.000 0.271 153 T C 1.578 176.287 174.700 0.014 0.000 1.085 153 T CA 4.844 66.882 62.100 -0.104 0.000 1.125 153 T CB -0.928 67.902 68.868 -0.063 0.000 0.874 153 T HN -0.291 7.915 8.240 -0.330 -0.164 0.494 154 H N 2.717 121.740 119.070 -0.078 0.000 2.299 154 H HA -0.218 nan 4.556 nan 0.000 0.302 154 H C 1.383 176.701 175.328 -0.017 0.000 1.078 154 H CA 2.959 58.983 56.048 -0.040 0.000 1.323 154 H CB -0.216 29.519 29.762 -0.045 0.000 1.381 154 H HN -0.189 8.113 8.280 0.082 0.027 0.498 155 R N -2.022 118.394 120.500 -0.141 0.000 2.081 155 R HA -0.395 nan 4.340 nan 0.000 0.235 155 R C 2.173 178.434 176.300 -0.066 0.000 1.131 155 R CA 3.346 59.337 56.100 -0.181 0.000 0.960 155 R CB -0.127 30.087 30.300 -0.143 0.000 0.856 155 R HN -0.749 7.484 8.270 -0.062 0.000 0.436 156 E N -0.441 119.725 120.200 -0.058 0.000 2.070 156 E HA -0.375 nan 4.350 nan 0.000 0.197 156 E C 1.830 178.416 176.600 -0.022 0.000 1.004 156 E CA 2.974 59.345 56.400 -0.048 0.000 0.805 156 E CB -0.634 29.026 29.700 -0.067 0.000 0.744 156 E HN -0.130 8.186 8.360 -0.073 0.000 0.451 157 N N -2.460 116.249 118.700 0.014 0.000 2.096 157 N HA -0.405 nan 4.740 nan 0.000 0.195 157 N C 1.598 177.175 175.510 0.112 0.000 1.017 157 N CA 3.010 56.087 53.050 0.046 0.000 0.870 157 N CB 0.080 38.632 38.487 0.108 0.000 1.024 157 N HN -0.536 7.855 8.380 0.018 0.000 0.434 158 H N -1.454 117.640 119.070 0.040 0.000 2.320 158 H HA 0.025 nan 4.556 nan 0.000 0.309 158 H C 1.794 177.125 175.328 0.004 0.000 1.057 158 H CA 2.568 58.690 56.048 0.122 0.000 1.374 158 H CB 1.199 30.977 29.762 0.028 0.000 1.421 158 H HN -0.627 7.720 8.280 0.162 0.030 0.532 159 N N 0.887 119.510 118.700 -0.128 0.000 2.322 159 N HA -0.463 nan 4.740 nan 0.000 0.189 159 N C 2.530 177.955 175.510 -0.141 0.000 1.012 159 N CA 3.369 56.261 53.050 -0.264 0.000 0.880 159 N CB -0.346 38.062 38.487 -0.132 0.000 0.967 159 N HN -0.023 8.363 8.380 0.009 0.000 0.439 160 A N 0.404 123.156 122.820 -0.113 0.000 2.015 160 A HA -0.185 nan 4.320 nan 0.000 0.219 160 A C 2.160 179.661 177.584 -0.138 0.000 1.163 160 A CA 2.604 54.562 52.037 -0.132 0.000 0.646 160 A CB -0.807 18.070 19.000 -0.205 0.000 0.806 160 A HN 0.400 8.457 8.150 -0.099 0.034 0.448 161 Y N -2.799 117.490 120.300 -0.018 0.000 2.421 161 Y HA -0.323 nan 4.550 nan 0.000 0.292 161 Y C 1.742 177.675 175.900 0.055 0.000 1.136 161 Y CA 3.483 61.595 58.100 0.019 0.000 1.255 161 Y CB -0.624 37.864 38.460 0.047 0.000 0.991 161 Y HN 0.057 8.195 8.280 -0.078 0.095 0.552 162 H N -1.998 117.042 119.070 -0.050 0.000 2.547 162 H HA 0.119 nan 4.556 nan 0.000 0.266 162 H C 0.810 176.141 175.328 0.005 0.000 0.988 162 H CA 0.788 56.781 56.048 -0.091 0.000 1.147 162 H CB -0.620 29.076 29.762 -0.110 0.000 1.365 162 H HN -0.221 7.962 8.280 0.154 0.190 0.589 163 R N -1.485 119.086 120.500 0.118 0.000 2.313 163 R HA -0.032 nan 4.340 nan 0.000 0.199 163 R C -0.764 175.616 176.300 0.134 0.000 0.958 163 R CA 1.390 57.559 56.100 0.114 0.000 1.047 163 R CB 0.601 30.929 30.300 0.046 0.000 0.955 163 R HN -0.347 7.792 8.270 0.080 0.179 0.481 164 I N -0.263 120.354 120.570 0.078 0.000 2.404 164 I HA 0.083 nan 4.170 nan 0.000 0.293 164 I C -1.926 174.117 176.117 -0.122 0.000 0.992 164 I CA -0.828 60.490 61.300 0.030 0.000 1.149 164 I CB 1.558 39.546 38.000 -0.021 0.000 1.315 164 I HN -0.619 7.432 8.210 0.030 0.177 0.446 165 F N 3.912 123.723 119.950 -0.232 0.000 2.611 165 F HA 0.238 nan 4.527 nan 0.000 0.374 165 F C -0.323 175.268 175.800 -0.348 0.000 1.110 165 F CA -1.453 56.358 58.000 -0.314 0.000 1.090 165 F CB 3.159 42.077 39.000 -0.138 0.000 1.388 165 F HN -0.347 8.076 8.300 0.204 0.000 0.501 166 F N 0.224 120.256 119.950 0.136 0.000 2.556 166 F HA 0.554 nan 4.527 nan 0.000 0.327 166 F C -0.836 175.018 175.800 0.091 0.000 1.059 166 F CA -1.747 56.300 58.000 0.077 0.000 0.953 166 F CB 2.216 41.227 39.000 0.019 0.000 1.227 166 F HN -0.071 8.300 8.300 0.119 0.000 0.478 167 K N 1.263 121.851 120.400 0.314 0.000 2.762 167 K HA 0.404 nan 4.320 nan 0.000 0.180 167 K C -2.537 174.129 176.600 0.109 0.000 1.067 167 K CA -1.848 54.542 56.287 0.172 0.000 0.973 167 K CB 0.685 33.266 32.500 0.134 0.000 1.290 167 K HN -0.013 8.454 8.250 0.361 0.000 0.604 168 P HA 0.124 nan 4.420 nan 0.000 0.275 168 P C -1.898 175.410 177.300 0.013 0.000 1.227 168 P CA -0.640 62.467 63.100 0.013 0.000 0.781 168 P CB 0.729 32.428 31.700 -0.003 0.000 0.906 169 K N 3.415 123.811 120.400 -0.006 0.000 2.098 169 K HA 0.142 nan 4.320 nan 0.000 0.258 169 K C -1.054 175.543 176.600 -0.004 0.000 0.973 169 K CA -0.959 55.329 56.287 0.001 0.000 0.898 169 K CB 1.263 33.763 32.500 0.000 0.000 1.057 169 K HN -0.151 8.084 8.250 -0.025 0.000 0.447 170 I N 0.140 120.711 120.570 0.002 0.000 2.863 170 I HA 0.092 nan 4.170 nan 0.000 0.311 170 I C 0.069 176.186 176.117 0.001 0.000 1.026 170 I CA -1.878 59.423 61.300 0.002 0.000 1.077 170 I CB 1.685 39.690 38.000 0.007 0.000 1.262 170 I HN 0.129 8.342 8.210 0.005 0.000 0.461 171 L N 4.803 126.026 121.223 0.000 0.000 3.762 171 L HA -0.330 nan 4.340 nan 0.000 0.460 171 L C -1.670 175.200 176.870 -0.001 0.000 1.255 171 L CA 0.467 55.307 54.840 0.000 0.000 0.783 171 L CB -1.534 40.526 42.059 0.002 0.000 1.600 171 L HN 0.342 8.572 8.230 -0.000 0.000 0.862 172 V N 0.225 120.137 119.914 -0.003 0.000 2.604 172 V HA 0.138 nan 4.120 nan 0.000 0.305 172 V C -0.489 175.602 176.094 -0.005 0.000 1.043 172 V CA -1.492 60.806 62.300 -0.004 0.000 0.888 172 V CB 3.102 34.922 31.823 -0.007 0.000 0.995 172 V HN -0.631 7.556 8.190 -0.004 0.000 0.429 173 D N 6.618 127.015 120.400 -0.004 0.000 2.398 173 D HA -0.021 nan 4.640 nan 0.000 0.250 173 D C 0.254 176.551 176.300 -0.005 0.000 1.287 173 D CA 0.186 54.184 54.000 -0.003 0.000 0.992 173 D CB -0.408 40.391 40.800 -0.002 0.000 1.071 173 D HN 0.171 8.540 8.370 -0.002 0.000 0.514 174 V N 1.923 121.833 119.914 -0.007 0.000 2.154 174 V HA 0.380 nan 4.120 nan 0.000 0.265 174 V C -0.449 175.641 176.094 -0.007 0.000 1.293 174 V CA -1.813 60.481 62.300 -0.009 0.000 1.205 174 V CB -1.612 30.202 31.823 -0.015 0.000 1.306 174 V HN 0.049 8.234 8.190 -0.007 0.000 0.479 175 R N 3.345 123.843 120.500 -0.004 0.000 2.062 175 R HA -0.015 nan 4.340 nan 0.000 0.218 175 R C -0.381 175.918 176.300 -0.000 0.000 1.161 175 R CA 1.548 57.647 56.100 -0.002 0.000 0.994 175 R CB 0.928 31.227 30.300 -0.001 0.000 0.888 175 R HN -0.441 7.827 8.270 -0.003 -0.000 0.442 176 K N -1.177 119.224 120.400 0.001 0.000 2.138 176 K HA 0.065 nan 4.320 nan 0.000 0.263 176 K C -1.407 175.195 176.600 0.002 0.000 0.965 176 K CA -0.825 55.464 56.287 0.003 0.000 0.868 176 K CB 1.131 33.634 32.500 0.005 0.000 1.083 176 K HN -0.042 8.208 8.250 0.001 0.000 0.443 177 V N 1.629 121.545 119.914 0.004 0.000 2.540 177 V HA 0.304 nan 4.120 nan 0.000 0.302 177 V C -1.199 174.900 176.094 0.009 0.000 1.035 177 V CA -1.389 60.912 62.300 0.003 0.000 0.873 177 V CB 2.400 34.223 31.823 -0.000 0.000 0.992 177 V HN 0.083 8.276 8.190 0.005 0.000 0.428 178 D N 6.330 126.737 120.400 0.012 0.000 2.471 178 D HA 0.330 nan 4.640 nan 0.000 0.245 178 D C -0.392 175.917 176.300 0.014 0.000 1.116 178 D CA -1.122 52.889 54.000 0.018 0.000 0.853 178 D CB 2.473 43.289 40.800 0.028 0.000 1.123 178 D HN 0.674 8.945 8.370 0.010 0.105 0.540 179 I N -1.853 118.722 120.570 0.009 0.000 3.806 179 I HA 0.367 nan 4.170 nan 0.000 0.321 179 I C -0.365 175.737 176.117 -0.025 0.000 1.315 179 I CA -0.957 60.345 61.300 0.004 0.000 1.148 179 I CB -0.461 37.549 38.000 0.015 0.000 1.028 179 I HN 0.082 8.297 8.210 0.008 0.000 0.415 180 S N 0.886 116.562 115.700 -0.041 0.000 2.652 180 S HA 0.390 nan 4.470 nan 0.000 0.270 180 S C -1.461 173.066 174.600 -0.121 0.000 1.243 180 S CA -0.811 57.306 58.200 -0.139 0.000 0.999 180 S CB 2.527 65.615 63.200 -0.186 0.000 0.973 180 S HN -0.615 7.857 8.310 -0.006 -0.165 0.544 181 T N -0.777 113.660 114.554 -0.196 0.000 2.711 181 T HA 0.313 nan 4.350 nan 0.000 0.302 181 T C -2.689 171.957 174.700 -0.090 0.000 1.373 181 T CA -0.717 61.342 62.100 -0.069 0.000 1.000 181 T CB 2.240 71.110 68.868 0.003 0.000 1.483 181 T HN 0.266 8.302 8.240 -0.339 0.000 0.499 182 D N 1.842 122.260 120.400 0.030 0.000 2.492 182 D HA 0.760 nan 4.640 nan 0.000 0.248 182 D C -1.387 175.003 176.300 0.150 0.000 1.101 182 D CA -0.543 53.506 54.000 0.081 0.000 0.840 182 D CB 2.089 42.957 40.800 0.114 0.000 1.209 182 D HN 0.212 8.613 8.370 0.052 0.000 0.524 183 M N 2.622 122.355 119.600 0.221 0.000 2.167 183 M HA 0.226 nan 4.480 nan 0.000 0.333 183 M C -0.431 176.070 176.300 0.336 0.000 1.030 183 M CA -0.705 54.818 55.300 0.372 0.000 0.963 183 M CB 2.306 35.259 32.600 0.587 0.000 1.589 183 M HN 0.157 8.561 8.290 0.189 0.000 0.431 184 L N 3.488 124.874 121.223 0.273 0.000 3.634 184 L HA -0.386 nan 4.340 nan 0.000 0.423 184 L C -0.488 176.470 176.870 0.146 0.000 1.253 184 L CA 0.715 55.663 54.840 0.180 0.000 0.885 184 L CB -0.771 41.383 42.059 0.157 0.000 1.789 184 L HN 0.495 9.128 8.230 0.233 -0.264 0.904 185 G N -3.194 105.686 108.800 0.133 0.000 2.353 185 G HA2 -0.400 nan 3.960 nan 0.000 0.294 185 G HA3 -0.400 nan 3.960 nan 0.000 0.294 185 G C -0.533 174.440 174.900 0.123 0.000 1.077 185 G CA 0.355 45.519 45.100 0.107 0.000 1.098 185 G HN 0.276 8.611 8.290 0.144 0.041 0.511 186 S N -1.970 113.819 115.700 0.147 0.000 2.590 186 S HA 0.045 nan 4.470 nan 0.000 0.286 186 S C -2.158 172.533 174.600 0.152 0.000 1.147 186 S CA -0.608 57.677 58.200 0.142 0.000 0.963 186 S CB 2.324 65.608 63.200 0.140 0.000 1.124 186 S HN -0.573 7.834 8.310 0.161 0.000 0.458 187 H N 6.266 125.363 119.070 0.044 0.000 2.767 187 H HA 0.392 nan 4.556 nan 0.000 0.316 187 H C -1.548 173.787 175.328 0.011 0.000 1.059 187 H CA 0.967 57.034 56.048 0.033 0.000 1.461 187 H CB 0.565 30.339 29.762 0.019 0.000 1.475 187 H HN -0.017 8.403 8.280 0.232 0.000 0.531 188 V N 6.932 126.657 119.914 -0.315 0.000 2.815 188 V HA 0.234 nan 4.120 nan 0.000 0.314 188 V C -0.288 175.604 176.094 -0.338 0.000 1.064 188 V CA -1.795 60.364 62.300 -0.236 0.000 0.952 188 V CB 4.119 35.873 31.823 -0.116 0.000 1.020 188 V HN 0.791 8.755 8.190 -0.377 0.000 0.439 189 D N 5.615 125.874 120.400 -0.236 0.000 2.312 189 D HA -0.120 nan 4.640 nan 0.000 0.211 189 D C -0.664 175.511 176.300 -0.209 0.000 0.964 189 D CA 1.953 55.836 54.000 -0.196 0.000 0.877 189 D CB 0.464 41.183 40.800 -0.136 0.000 0.924 189 D HN 0.372 8.618 8.370 -0.207 0.000 0.515 190 V N -2.753 116.998 119.914 -0.272 0.000 3.048 190 V HA 0.283 nan 4.120 nan 0.000 0.303 190 V C -1.885 174.060 176.094 -0.249 0.000 1.214 190 V CA -2.971 59.143 62.300 -0.311 0.000 0.984 190 V CB 4.279 35.768 31.823 -0.556 0.000 1.054 190 V HN -0.632 7.339 8.190 -0.280 0.051 0.430 191 P HA 0.301 nan 4.420 nan 0.000 0.249 191 P C -2.098 175.365 177.300 0.272 0.000 1.593 191 P CA 0.185 63.350 63.100 0.110 0.000 0.896 191 P CB -2.265 29.517 31.700 0.136 0.000 1.581 192 F N -4.107 115.908 119.950 0.107 0.000 2.685 192 F HA 0.739 nan 4.527 nan 0.000 0.315 192 F C -3.093 172.754 175.800 0.078 0.000 1.126 192 F CA -1.611 56.430 58.000 0.068 0.000 0.950 192 F CB 2.332 41.341 39.000 0.015 0.000 1.360 192 F HN -0.793 7.313 8.300 -0.219 0.063 0.469 193 Y N -6.440 114.068 120.300 0.346 0.000 2.689 193 Y HA 0.536 nan 4.550 nan 0.000 0.333 193 Y C -2.551 173.325 175.900 -0.040 0.000 1.190 193 Y CA -2.323 55.800 58.100 0.038 0.000 1.063 193 Y CB 1.584 40.053 38.460 0.015 0.000 1.294 193 Y HN 0.087 8.368 8.280 0.002 0.000 0.466 194 V N -0.479 119.410 119.914 -0.042 0.000 2.472 194 V HA 0.383 nan 4.120 nan 0.000 0.290 194 V C -0.545 175.572 176.094 0.039 0.000 1.037 194 V CA -1.377 60.794 62.300 -0.215 0.000 0.908 194 V CB 0.463 31.987 31.823 -0.498 0.000 0.985 194 V HN 0.055 8.231 8.190 -0.023 0.000 0.454 195 S N 6.080 121.778 115.700 -0.003 0.000 2.646 195 S HA 0.187 nan 4.470 nan 0.000 0.273 195 S C -1.463 173.088 174.600 -0.083 0.000 1.168 195 S CA -0.665 57.544 58.200 0.014 0.000 1.013 195 S CB 1.711 64.889 63.200 -0.035 0.000 1.098 195 S HN 0.443 8.646 8.310 -0.040 0.084 0.544 196 A N -0.126 122.611 122.820 -0.138 0.000 2.310 196 A HA 0.159 nan 4.320 nan 0.000 0.299 196 A C -1.792 175.722 177.584 -0.116 0.000 1.147 196 A CA -0.496 51.453 52.037 -0.147 0.000 0.818 196 A CB 1.358 20.234 19.000 -0.206 0.000 1.096 196 A HN 0.163 8.217 8.150 -0.160 0.000 0.495 197 T N 1.223 115.738 114.554 -0.066 0.000 2.933 197 T HA 0.221 nan 4.350 nan 0.000 0.305 197 T C -1.367 173.373 174.700 0.066 0.000 1.092 197 T CA -1.500 60.592 62.100 -0.013 0.000 1.008 197 T CB 2.956 71.801 68.868 -0.040 0.000 1.102 197 T HN 0.051 8.254 8.240 -0.061 0.000 0.469 198 A N 3.403 126.324 122.820 0.168 0.000 2.272 198 A HA 0.512 nan 4.320 nan 0.000 0.275 198 A C 0.023 177.753 177.584 0.242 0.000 1.096 198 A CA -1.014 51.149 52.037 0.210 0.000 0.822 198 A CB 0.934 20.132 19.000 0.329 0.000 1.088 198 A HN 0.222 8.487 8.150 0.192 0.000 0.495 199 L N -4.735 116.553 121.223 0.109 0.000 3.963 199 L HA -0.473 nan 4.340 nan 0.000 0.522 199 L C 0.566 177.549 176.870 0.189 0.000 1.097 199 L CA 0.200 55.076 54.840 0.060 0.000 0.727 199 L CB -2.923 39.065 42.059 -0.118 0.000 1.193 199 L HN -0.057 8.198 8.230 0.042 0.000 0.757 200 C N 0.472 119.850 119.300 0.129 0.000 2.472 200 C HA -0.298 nan 4.460 nan 0.000 0.278 200 C C 1.859 176.927 174.990 0.131 0.000 1.447 200 C CA 2.656 61.752 59.018 0.129 0.000 1.773 200 C CB -1.148 26.613 27.740 0.035 0.000 1.793 200 C HN 0.172 8.720 8.230 0.080 -0.270 0.544 201 K N 0.554 121.002 120.400 0.081 0.000 2.504 201 K HA -0.213 nan 4.320 nan 0.000 0.195 201 K C 0.824 177.469 176.600 0.075 0.000 1.036 201 K CA 2.301 58.620 56.287 0.053 0.000 0.984 201 K CB -0.586 31.914 32.500 0.000 0.000 0.788 201 K HN -0.554 7.681 8.250 0.052 0.046 0.488 202 L N -2.526 118.774 121.223 0.128 0.000 2.027 202 L HA -0.224 nan 4.340 nan 0.000 0.206 202 L C 1.630 178.616 176.870 0.194 0.000 1.074 202 L CA 2.539 57.440 54.840 0.100 0.000 0.745 202 L CB -0.015 42.034 42.059 -0.017 0.000 0.898 202 L HN -0.611 7.677 8.230 0.189 0.055 0.433 203 G N -4.390 104.624 108.800 0.356 0.000 2.459 203 G HA2 -0.093 nan 3.960 nan 0.000 0.213 203 G HA3 -0.093 nan 3.960 nan 0.000 0.213 203 G C -0.098 174.888 174.900 0.143 0.000 1.155 203 G CA -0.016 45.263 45.100 0.298 0.000 0.811 203 G HN -0.380 8.222 8.290 0.521 0.000 0.534 204 N N 0.464 119.227 118.700 0.105 0.000 2.851 204 N HA 0.506 nan 4.740 nan 0.000 0.248 204 N C -1.342 174.196 175.510 0.046 0.000 1.221 204 N CA -2.994 50.089 53.050 0.054 0.000 0.847 204 N CB 1.148 39.655 38.487 0.032 0.000 1.150 204 N HN -0.165 8.185 8.380 0.126 0.107 0.507 205 P HA -0.123 nan 4.420 nan 0.000 0.219 205 P C 0.810 178.124 177.300 0.024 0.000 1.150 205 P CA 1.806 64.926 63.100 0.033 0.000 0.814 205 P CB 0.500 32.220 31.700 0.034 0.000 0.787 206 L N -3.248 117.989 121.223 0.023 0.000 2.109 206 L HA -0.151 nan 4.340 nan 0.000 0.207 206 L C 1.545 178.425 176.870 0.017 0.000 1.086 206 L CA 2.553 57.404 54.840 0.019 0.000 0.760 206 L CB -0.428 41.642 42.059 0.018 0.000 0.910 206 L HN -0.088 8.156 8.230 0.023 0.000 0.437 207 E N -6.305 113.905 120.200 0.017 0.000 2.474 207 E HA 0.189 nan 4.350 nan 0.000 0.215 207 E C 1.359 177.967 176.600 0.013 0.000 0.867 207 E CA -0.502 55.907 56.400 0.014 0.000 1.135 207 E CB 3.062 32.770 29.700 0.013 0.000 1.147 207 E HN -0.624 7.989 8.360 0.019 -0.242 0.534 208 G N 0.879 109.689 108.800 0.017 0.000 2.685 208 G HA2 -0.572 nan 3.960 nan 0.000 0.329 208 G HA3 -0.572 nan 3.960 nan 0.000 0.329 208 G C 0.410 175.315 174.900 0.008 0.000 1.271 208 G CA 1.582 46.693 45.100 0.019 0.000 1.003 208 G HN 0.257 8.724 8.290 0.021 -0.164 0.549 209 E N 2.832 123.036 120.200 0.007 0.000 2.472 209 E HA -0.181 nan 4.350 nan 0.000 0.200 209 E C 2.186 178.782 176.600 -0.007 0.000 1.046 209 E CA 2.349 58.746 56.400 -0.004 0.000 0.871 209 E CB -0.408 29.293 29.700 0.002 0.000 0.806 209 E HN -0.017 8.350 8.360 0.011 0.000 0.533 210 K N 0.106 120.506 120.400 -0.000 0.000 2.044 210 K HA -0.239 nan 4.320 nan 0.000 0.204 210 K C 1.935 178.530 176.600 -0.007 0.000 1.049 210 K CA 3.530 59.815 56.287 -0.002 0.000 0.945 210 K CB -0.039 32.464 32.500 0.004 0.000 0.724 210 K HN 0.268 8.357 8.250 0.005 0.163 0.440 211 D N -0.796 119.602 120.400 -0.002 0.000 2.265 211 D HA -0.205 nan 4.640 nan 0.000 0.208 211 D C 2.175 178.468 176.300 -0.012 0.000 0.977 211 D CA 3.278 57.277 54.000 -0.001 0.000 0.871 211 D CB -0.350 40.454 40.800 0.007 0.000 0.925 211 D HN -0.457 7.915 8.370 0.002 0.000 0.485 212 V N -4.613 115.286 119.914 -0.025 0.000 2.951 212 V HA 0.093 nan 4.120 nan 0.000 0.255 212 V C 1.020 177.076 176.094 -0.063 0.000 1.088 212 V CA 2.768 65.042 62.300 -0.044 0.000 1.109 212 V CB -0.859 30.924 31.823 -0.066 0.000 0.724 212 V HN -0.463 7.585 8.190 -0.024 0.128 0.471 213 A N 1.491 124.280 122.820 -0.051 0.000 1.933 213 A HA -0.257 nan 4.320 nan 0.000 0.218 213 A C 2.098 179.651 177.584 -0.051 0.000 1.175 213 A CA 3.264 55.266 52.037 -0.058 0.000 0.628 213 A CB -0.773 18.204 19.000 -0.038 0.000 0.814 213 A HN -0.497 7.527 8.150 -0.037 0.104 0.444 214 R N -2.478 118.002 120.500 -0.032 0.000 2.062 214 R HA -0.315 nan 4.340 nan 0.000 0.229 214 R C 2.447 178.735 176.300 -0.021 0.000 1.128 214 R CA 2.920 59.007 56.100 -0.022 0.000 0.960 214 R CB 0.087 30.383 30.300 -0.007 0.000 0.855 214 R HN 0.053 8.303 8.270 -0.026 0.005 0.432 215 G N -2.586 106.205 108.800 -0.015 0.000 2.422 215 G HA2 -0.213 nan 3.960 nan 0.000 0.218 215 G HA3 -0.213 nan 3.960 nan 0.000 0.218 215 G C 1.837 176.726 174.900 -0.018 0.000 1.146 215 G CA 1.915 47.015 45.100 0.000 0.000 0.769 215 G HN -0.289 7.991 8.290 -0.015 0.000 0.547 216 C N 0.441 119.704 119.300 -0.061 0.000 2.457 216 C HA -0.091 nan 4.460 nan 0.000 0.278 216 C C 2.130 177.070 174.990 -0.083 0.000 1.309 216 C CA 2.903 61.862 59.018 -0.098 0.000 1.735 216 C CB -1.046 26.593 27.740 -0.169 0.000 1.992 216 C HN 0.117 8.292 8.230 -0.071 0.013 0.493 217 G N -2.668 106.090 108.800 -0.069 0.000 3.502 217 G HA2 0.143 nan 3.960 nan 0.000 0.267 217 G HA3 0.143 nan 3.960 nan 0.000 0.267 217 G C -0.461 174.417 174.900 -0.037 0.000 1.090 217 G CA 0.180 45.244 45.100 -0.061 0.000 0.795 217 G HN -0.235 8.017 8.290 -0.063 0.000 0.535 218 Q N 0.291 120.077 119.800 -0.024 0.000 2.390 218 Q HA -0.011 nan 4.340 nan 0.000 0.216 218 Q C 1.297 177.293 176.000 -0.007 0.000 0.916 218 Q CA 0.106 55.902 55.803 -0.012 0.000 0.911 218 Q CB 0.696 29.432 28.738 -0.002 0.000 1.035 218 Q HN -0.711 7.546 8.270 -0.022 0.000 0.541 219 G N 0.325 109.123 108.800 -0.004 0.000 2.570 219 G HA2 -0.064 nan 3.960 nan 0.000 0.276 219 G HA3 -0.064 nan 3.960 nan 0.000 0.276 219 G C -0.260 174.635 174.900 -0.009 0.000 1.346 219 G CA -0.705 44.395 45.100 0.000 0.000 1.034 219 G HN -0.497 7.790 8.290 -0.005 0.000 0.512 220 V N -6.843 113.068 119.914 -0.004 0.000 2.488 220 V HA -0.023 nan 4.120 nan 0.000 0.246 220 V C 0.537 176.621 176.094 -0.017 0.000 1.046 220 V CA 2.014 64.310 62.300 -0.007 0.000 1.053 220 V CB -0.196 31.626 31.823 -0.001 0.000 0.679 220 V HN 0.333 8.524 8.190 0.002 0.000 0.458 221 T N 1.991 116.532 114.554 -0.020 0.000 2.856 221 T HA 0.179 nan 4.350 nan 0.000 0.292 221 T C -1.359 173.301 174.700 -0.066 0.000 0.980 221 T CA 0.590 62.662 62.100 -0.047 0.000 1.091 221 T CB 0.118 68.963 68.868 -0.037 0.000 0.936 221 T HN -0.238 7.997 8.240 -0.008 0.000 0.503 222 K N 4.342 124.678 120.400 -0.107 0.000 2.422 222 K HA 0.369 nan 4.320 nan 0.000 0.251 222 K C -2.393 174.088 176.600 -0.198 0.000 0.933 222 K CA -1.134 55.079 56.287 -0.123 0.000 0.798 222 K CB 3.479 35.917 32.500 -0.103 0.000 1.238 222 K HN 0.025 8.399 8.250 -0.123 -0.197 0.428 223 V N 2.118 121.897 119.914 -0.225 0.000 2.735 223 V HA 0.500 nan 4.120 nan 0.000 0.310 223 V C -2.420 173.468 176.094 -0.342 0.000 1.061 223 V CA -3.979 58.134 62.300 -0.312 0.000 0.913 223 V CB 2.855 34.494 31.823 -0.306 0.000 1.005 223 V HN -0.267 7.811 8.190 -0.187 0.000 0.428 224 P HA 0.175 nan 4.420 nan 0.000 0.271 224 P C -2.307 174.652 177.300 -0.569 0.000 1.216 224 P CA -0.456 62.219 63.100 -0.708 0.000 0.771 224 P CB 0.612 31.537 31.700 -1.292 0.000 0.864 225 Q N 3.198 122.701 119.800 -0.496 0.000 2.347 225 Q HA 0.523 nan 4.340 nan 0.000 0.262 225 Q C -1.809 174.077 176.000 -0.191 0.000 0.980 225 Q CA -1.838 53.793 55.803 -0.286 0.000 0.867 225 Q CB 2.563 31.178 28.738 -0.205 0.000 1.242 225 Q HN 0.320 8.253 8.270 -0.561 0.000 0.453 226 M N 6.933 126.477 119.600 -0.094 0.000 2.120 226 M HA 0.303 nan 4.480 nan 0.000 0.354 226 M C -1.222 175.024 176.300 -0.090 0.000 1.287 226 M CA 0.101 55.375 55.300 -0.043 0.000 1.103 226 M CB 1.169 33.667 32.600 -0.171 0.000 1.623 226 M HN -0.103 8.134 8.290 -0.089 0.000 0.471 227 I N 6.934 127.459 120.570 -0.074 0.000 2.331 227 I HA 0.200 nan 4.170 nan 0.000 0.292 227 I C -1.266 174.685 176.117 -0.276 0.000 0.998 227 I CA -1.029 60.210 61.300 -0.102 0.000 1.267 227 I CB 0.595 38.609 38.000 0.023 0.000 1.386 227 I HN 0.941 9.141 8.210 -0.016 0.000 0.476 228 S N 4.944 120.523 115.700 -0.201 0.000 2.580 228 S HA 0.121 nan 4.470 nan 0.000 0.274 228 S C 1.387 175.879 174.600 -0.179 0.000 1.329 228 S CA -0.363 57.707 58.200 -0.217 0.000 1.036 228 S CB 1.167 64.319 63.200 -0.080 0.000 0.919 228 S HN 0.349 8.589 8.310 -0.117 0.000 0.515 229 T N 7.433 121.885 114.554 -0.171 0.000 2.962 229 T HA -0.130 nan 4.350 nan 0.000 0.270 229 T C 0.576 175.411 174.700 0.225 0.000 1.088 229 T CA 3.345 65.504 62.100 0.099 0.000 1.127 229 T CB -0.115 68.858 68.868 0.175 0.000 0.883 229 T HN 0.342 8.406 8.240 -0.293 0.000 0.493 230 L N -0.574 120.755 121.223 0.178 0.000 2.928 230 L HA 0.336 nan 4.340 nan 0.000 0.246 230 L C -1.530 175.384 176.870 0.074 0.000 1.239 230 L CA -2.505 52.419 54.840 0.141 0.000 1.035 230 L CB -1.371 40.783 42.059 0.158 0.000 1.360 230 L HN -0.489 7.779 8.230 0.129 0.039 0.529 231 A N -0.663 122.202 122.820 0.074 0.000 2.507 231 A HA -0.079 nan 4.320 nan 0.000 0.235 231 A C 0.336 177.933 177.584 0.022 0.000 1.070 231 A CA 0.747 52.812 52.037 0.047 0.000 0.768 231 A CB 0.408 19.442 19.000 0.056 0.000 1.011 231 A HN -0.733 7.381 8.150 0.097 0.095 0.502 232 S N -0.439 115.258 115.700 -0.006 0.000 2.561 232 S HA -0.136 nan 4.470 nan 0.000 0.225 232 S C -0.876 173.720 174.600 -0.006 0.000 0.977 232 S CA 2.185 60.358 58.200 -0.045 0.000 0.926 232 S CB 0.257 63.422 63.200 -0.058 0.000 0.769 232 S HN -0.096 8.590 8.310 0.006 -0.373 0.533 233 C N -1.537 117.779 119.300 0.026 0.000 2.562 233 C HA 0.347 nan 4.460 nan 0.000 0.332 233 C C -0.769 174.259 174.990 0.063 0.000 1.201 233 C CA -2.373 56.666 59.018 0.036 0.000 1.803 233 C CB 3.167 30.925 27.740 0.030 0.000 2.328 233 C HN -0.482 7.709 8.230 0.038 0.061 0.500 234 S N 2.052 117.788 115.700 0.061 0.000 2.579 234 S HA 0.260 nan 4.470 nan 0.000 0.275 234 S C 0.146 174.795 174.600 0.083 0.000 1.345 234 S CA -1.495 56.750 58.200 0.076 0.000 1.031 234 S CB -0.002 63.229 63.200 0.052 0.000 0.892 234 S HN -0.058 8.436 8.310 0.048 -0.155 0.529 235 P HA -0.183 nan 4.420 nan 0.000 0.218 235 P C 1.081 178.414 177.300 0.055 0.000 1.148 235 P CA 2.475 65.645 63.100 0.115 0.000 0.822 235 P CB -0.079 31.706 31.700 0.140 0.000 0.784 236 E N -1.452 118.766 120.200 0.031 0.000 2.065 236 E HA -0.399 nan 4.350 nan 0.000 0.201 236 E C 2.484 179.094 176.600 0.016 0.000 1.016 236 E CA 3.171 59.579 56.400 0.013 0.000 0.818 236 E CB -1.542 28.162 29.700 0.006 0.000 0.749 236 E HN 0.587 8.951 8.360 0.032 0.016 0.453 237 E N -0.754 119.459 120.200 0.022 0.000 2.072 237 E HA -0.251 nan 4.350 nan 0.000 0.191 237 E C 2.617 179.226 176.600 0.015 0.000 0.985 237 E CA 2.298 58.709 56.400 0.017 0.000 0.801 237 E CB -0.235 29.476 29.700 0.019 0.000 0.750 237 E HN -0.839 7.538 8.360 0.028 0.000 0.452 238 I N -0.682 119.902 120.570 0.023 0.000 2.163 238 I HA -0.448 nan 4.170 nan 0.000 0.243 238 I C 1.735 177.856 176.117 0.006 0.000 1.085 238 I CA 3.496 64.806 61.300 0.016 0.000 1.347 238 I CB -0.099 37.920 38.000 0.032 0.000 1.044 238 I HN -0.852 7.378 8.210 0.034 0.000 0.408 239 I N -2.830 117.748 120.570 0.014 0.000 2.286 239 I HA -0.331 nan 4.170 nan 0.000 0.245 239 I C 1.904 178.019 176.117 -0.003 0.000 1.104 239 I CA 3.144 64.447 61.300 0.005 0.000 1.397 239 I CB 0.763 38.771 38.000 0.013 0.000 1.072 239 I HN -0.407 7.818 8.210 0.024 0.000 0.417 240 E N 1.762 121.962 120.200 0.001 0.000 2.085 240 E HA -0.329 nan 4.350 nan 0.000 0.194 240 E C 1.115 177.713 176.600 -0.004 0.000 0.994 240 E CA 2.957 59.356 56.400 -0.002 0.000 0.801 240 E CB 0.044 29.745 29.700 0.001 0.000 0.743 240 E HN -0.325 8.039 8.360 0.006 0.000 0.453 241 A N -2.129 120.689 122.820 -0.004 0.000 2.276 241 A HA -0.032 nan 4.320 nan 0.000 0.212 241 A C -0.749 176.827 177.584 -0.013 0.000 1.230 241 A CA -0.573 51.460 52.037 -0.006 0.000 0.844 241 A CB -0.081 18.917 19.000 -0.003 0.000 0.860 241 A HN -0.167 7.766 8.150 -0.001 0.216 0.486 242 A N 0.020 122.829 122.820 -0.018 0.000 2.492 242 A HA 0.065 nan 4.320 nan 0.000 0.254 242 A C -1.719 175.851 177.584 -0.024 0.000 1.091 242 A CA -1.623 50.397 52.037 -0.029 0.000 0.768 242 A CB -0.739 18.240 19.000 -0.035 0.000 1.028 242 A HN -0.386 7.566 8.150 -0.015 0.189 0.498 243 P HA 0.009 nan 4.420 nan 0.000 0.240 243 P C -1.032 176.256 177.300 -0.021 0.000 1.190 243 P CA 0.393 63.481 63.100 -0.019 0.000 0.781 243 P CB 0.894 32.584 31.700 -0.017 0.000 0.931 244 S N 0.347 116.030 115.700 -0.028 0.000 2.707 244 S HA 0.214 nan 4.470 nan 0.000 0.303 244 S C 0.200 174.783 174.600 -0.029 0.000 1.132 244 S CA -1.969 56.215 58.200 -0.027 0.000 1.046 244 S CB 1.543 64.724 63.200 -0.031 0.000 1.004 244 S HN -0.295 8.270 8.310 -0.035 -0.276 0.483 245 D N 9.111 129.498 120.400 -0.022 0.000 2.315 245 D HA -0.282 nan 4.640 nan 0.000 0.211 245 D C 0.735 177.021 176.300 -0.023 0.000 0.977 245 D CA 2.589 56.577 54.000 -0.020 0.000 0.894 245 D CB -0.440 40.352 40.800 -0.014 0.000 0.910 245 D HN 0.681 9.040 8.370 -0.018 0.000 0.490 246 K N -3.494 116.890 120.400 -0.026 0.000 2.400 246 K HA -0.013 nan 4.320 nan 0.000 0.194 246 K C 0.389 176.962 176.600 -0.045 0.000 1.033 246 K CA 0.107 56.378 56.287 -0.026 0.000 1.021 246 K CB 0.976 33.465 32.500 -0.018 0.000 0.808 246 K HN -0.705 7.464 8.250 -0.027 0.065 0.505 247 Q N -0.000 119.761 119.800 -0.065 0.000 2.354 247 Q HA 0.001 nan 4.340 nan 0.000 0.244 247 Q C -0.737 175.187 176.000 -0.126 0.000 0.969 247 Q CA 0.162 55.901 55.803 -0.105 0.000 0.885 247 Q CB 1.030 29.701 28.738 -0.112 0.000 1.241 247 Q HN -0.378 7.820 8.270 -0.056 0.039 0.461 248 I N 0.678 121.124 120.570 -0.208 0.000 2.412 248 I HA 0.156 nan 4.170 nan 0.000 0.296 248 I C -0.907 174.984 176.117 -0.377 0.000 0.987 248 I CA -1.041 60.096 61.300 -0.273 0.000 1.180 248 I CB 1.210 38.989 38.000 -0.369 0.000 1.340 248 I HN 0.125 8.189 8.210 -0.243 0.000 0.455 249 Q N 3.825 123.474 119.800 -0.250 0.000 2.353 249 Q HA 0.634 nan 4.340 nan 0.000 0.268 249 Q C -1.599 174.443 176.000 0.071 0.000 1.045 249 Q CA -1.074 54.638 55.803 -0.152 0.000 0.811 249 Q CB 3.589 32.306 28.738 -0.034 0.000 1.305 249 Q HN 0.313 8.498 8.270 -0.142 0.000 0.447 250 W N 1.045 122.341 121.300 -0.007 0.000 2.736 250 W HA 0.645 nan 4.660 nan 0.000 0.335 250 W C -1.512 175.064 176.519 0.096 0.000 1.059 250 W CA -2.341 55.035 57.345 0.052 0.000 1.226 250 W CB 3.428 32.885 29.460 -0.005 0.000 1.416 250 W HN 0.974 9.234 8.180 0.133 0.000 0.505 251 Y N 2.225 122.663 120.300 0.229 0.000 2.360 251 Y HA 0.393 nan 4.550 nan 0.000 0.337 251 Y C -2.358 173.607 175.900 0.108 0.000 1.039 251 Y CA -1.356 56.816 58.100 0.121 0.000 1.109 251 Y CB 3.547 42.053 38.460 0.077 0.000 1.201 251 Y HN 0.807 9.326 8.280 0.398 0.000 0.458 252 Q N 7.134 126.611 119.800 -0.537 0.000 2.348 252 Q HA 0.562 nan 4.340 nan 0.000 0.265 252 Q C -2.630 173.094 176.000 -0.460 0.000 0.998 252 Q CA -1.711 53.885 55.803 -0.345 0.000 0.831 252 Q CB 2.752 31.286 28.738 -0.340 0.000 1.251 252 Q HN 0.665 8.312 8.270 -1.039 0.000 0.456 253 L N 6.742 127.858 121.223 -0.179 0.000 2.325 253 L HA 0.390 nan 4.340 nan 0.000 0.278 253 L C -2.708 174.106 176.870 -0.094 0.000 1.023 253 L CA -0.950 53.883 54.840 -0.011 0.000 0.811 253 L CB 3.460 45.602 42.059 0.138 0.000 1.249 253 L HN 0.514 8.674 8.230 -0.118 0.000 0.431 254 Y N 2.504 122.852 120.300 0.079 0.000 2.377 254 Y HA 0.124 nan 4.550 nan 0.000 0.339 254 Y C -1.120 174.807 175.900 0.044 0.000 1.011 254 Y CA -0.947 57.190 58.100 0.062 0.000 1.093 254 Y CB 1.707 40.219 38.460 0.087 0.000 1.201 254 Y HN -0.042 8.365 8.280 0.211 0.000 0.455 255 V N 0.312 120.332 119.914 0.177 0.000 2.498 255 V HA 0.249 nan 4.120 nan 0.000 0.279 255 V C -1.268 174.846 176.094 0.033 0.000 1.048 255 V CA -2.752 59.599 62.300 0.085 0.000 0.967 255 V CB 0.272 32.123 31.823 0.048 0.000 0.988 255 V HN 0.342 8.645 8.190 0.187 0.000 0.473 256 N N 6.735 125.423 118.700 -0.021 0.000 2.482 256 N HA 0.051 nan 4.740 nan 0.000 0.260 256 N C 1.392 176.870 175.510 -0.054 0.000 1.236 256 N CA 0.587 53.574 53.050 -0.104 0.000 0.938 256 N CB 1.648 40.050 38.487 -0.142 0.000 1.128 256 N HN -0.072 8.308 8.380 0.000 0.000 0.448 257 S N 1.443 117.110 115.700 -0.055 0.000 2.419 257 S HA -0.275 nan 4.470 nan 0.000 0.233 257 S C -0.412 174.179 174.600 -0.015 0.000 1.016 257 S CA 3.426 61.612 58.200 -0.024 0.000 0.974 257 S CB 0.184 63.375 63.200 -0.014 0.000 0.786 257 S HN 0.037 8.304 8.310 -0.072 0.000 0.492 258 D N -0.348 120.040 120.400 -0.019 0.000 2.483 258 D HA 0.060 nan 4.640 nan 0.000 0.220 258 D C 0.060 176.357 176.300 -0.005 0.000 1.173 258 D CA -1.206 52.792 54.000 -0.002 0.000 0.964 258 D CB -0.268 40.539 40.800 0.011 0.000 1.046 258 D HN -0.281 8.060 8.370 -0.040 0.005 0.517 259 R N 4.239 124.738 120.500 -0.002 0.000 2.241 259 R HA -0.330 nan 4.340 nan 0.000 0.224 259 R C 1.848 178.147 176.300 -0.000 0.000 1.101 259 R CA 1.768 57.868 56.100 -0.001 0.000 0.995 259 R CB -0.649 29.652 30.300 0.003 0.000 0.870 259 R HN -0.152 8.118 8.270 -0.000 0.000 0.463 260 K N 0.968 121.367 120.400 -0.002 0.000 2.211 260 K HA -0.181 nan 4.320 nan 0.000 0.203 260 K C 2.181 178.775 176.600 -0.011 0.000 1.050 260 K CA 2.828 59.112 56.287 -0.006 0.000 0.945 260 K CB -0.274 32.222 32.500 -0.006 0.000 0.732 260 K HN -0.699 7.664 8.250 0.000 -0.113 0.451 261 I N -0.845 119.719 120.570 -0.009 0.000 2.142 261 I HA -0.496 nan 4.170 nan 0.000 0.240 261 I C 1.517 177.632 176.117 -0.003 0.000 1.078 261 I CA 4.296 65.587 61.300 -0.014 0.000 1.343 261 I CB -0.216 37.787 38.000 0.006 0.000 1.046 261 I HN 0.289 8.525 8.210 -0.004 -0.028 0.405 262 T N 1.664 116.224 114.554 0.009 0.000 2.788 262 T HA -0.381 nan 4.350 nan 0.000 0.268 262 T C 1.580 176.287 174.700 0.010 0.000 1.044 262 T CA 5.196 67.312 62.100 0.026 0.000 1.139 262 T CB -0.890 67.997 68.868 0.032 0.000 0.867 262 T HN -0.399 7.844 8.240 0.004 0.000 0.454 263 D N 0.779 121.179 120.400 -0.000 0.000 2.123 263 D HA -0.307 nan 4.640 nan 0.000 0.196 263 D C 1.518 177.805 176.300 -0.021 0.000 0.992 263 D CA 4.129 58.124 54.000 -0.008 0.000 0.833 263 D CB -0.044 40.752 40.800 -0.008 0.000 0.954 263 D HN -0.214 8.149 8.370 -0.000 0.007 0.455 264 D N -1.130 119.253 120.400 -0.028 0.000 2.317 264 D HA -0.052 nan 4.640 nan 0.000 0.211 264 D C 2.559 178.824 176.300 -0.057 0.000 0.966 264 D CA 2.406 56.380 54.000 -0.044 0.000 0.876 264 D CB -0.063 40.707 40.800 -0.051 0.000 0.927 264 D HN -0.047 8.230 8.370 -0.024 0.079 0.519 265 L N 0.041 121.237 121.223 -0.046 0.000 2.095 265 L HA -0.188 nan 4.340 nan 0.000 0.204 265 L C 1.319 178.111 176.870 -0.129 0.000 1.080 265 L CA 2.759 57.554 54.840 -0.074 0.000 0.759 265 L CB 0.080 42.146 42.059 0.011 0.000 0.914 265 L HN -0.687 7.372 8.230 -0.022 0.158 0.439 266 V N 0.026 119.899 119.914 -0.069 0.000 2.295 266 V HA -0.569 nan 4.120 nan 0.000 0.246 266 V C 2.167 178.212 176.094 -0.081 0.000 1.049 266 V CA 4.970 67.227 62.300 -0.071 0.000 1.024 266 V CB -0.755 31.055 31.823 -0.021 0.000 0.648 266 V HN 0.198 8.369 8.190 -0.033 0.000 0.447 267 K N -2.545 117.817 120.400 -0.063 0.000 2.097 267 K HA -0.386 nan 4.320 nan 0.000 0.205 267 K C 2.001 178.558 176.600 -0.072 0.000 1.050 267 K CA 3.368 59.622 56.287 -0.056 0.000 0.938 267 K CB -0.355 32.120 32.500 -0.042 0.000 0.718 267 K HN -0.520 7.698 8.250 -0.054 0.000 0.442 268 N N -0.004 118.640 118.700 -0.093 0.000 2.062 268 N HA -0.194 nan 4.740 nan 0.000 0.191 268 N C 1.802 177.232 175.510 -0.133 0.000 1.042 268 N CA 3.258 56.246 53.050 -0.102 0.000 0.845 268 N CB 0.823 39.245 38.487 -0.108 0.000 1.024 268 N HN -0.729 7.594 8.380 -0.095 0.000 0.424 269 V N -4.864 114.917 119.914 -0.223 0.000 3.383 269 V HA -0.154 nan 4.120 nan 0.000 0.272 269 V C 1.125 177.146 176.094 -0.122 0.000 1.181 269 V CA 1.706 63.861 62.300 -0.243 0.000 1.171 269 V CB -1.859 29.635 31.823 -0.549 0.000 0.800 269 V HN -0.112 7.913 8.190 -0.274 0.000 0.515 270 E N 0.142 120.292 120.200 -0.084 0.000 2.190 270 E HA -0.127 nan 4.350 nan 0.000 0.191 270 E C 2.720 179.301 176.600 -0.032 0.000 0.978 270 E CA 2.416 58.792 56.400 -0.040 0.000 0.839 270 E CB -0.138 29.544 29.700 -0.030 0.000 0.787 270 E HN -0.227 7.924 8.360 -0.094 0.152 0.473 271 K N 1.572 121.947 120.400 -0.042 0.000 2.057 271 K HA -0.193 nan 4.320 nan 0.000 0.206 271 K C 1.634 178.218 176.600 -0.026 0.000 1.050 271 K CA 2.116 58.384 56.287 -0.031 0.000 0.935 271 K CB -0.389 32.090 32.500 -0.035 0.000 0.715 271 K HN -0.544 7.580 8.250 -0.057 0.092 0.439 272 L N -4.001 117.201 121.223 -0.035 0.000 2.353 272 L HA -0.148 nan 4.340 nan 0.000 0.220 272 L C 0.457 177.323 176.870 -0.007 0.000 1.133 272 L CA 0.878 55.705 54.840 -0.023 0.000 0.798 272 L CB 0.241 42.281 42.059 -0.032 0.000 0.922 272 L HN -0.439 7.760 8.230 -0.052 0.000 0.445 273 G N -3.286 105.512 108.800 -0.003 0.000 2.140 273 G HA2 -0.332 nan 3.960 nan 0.000 0.211 273 G HA3 -0.332 nan 3.960 nan 0.000 0.211 273 G C -0.853 174.071 174.900 0.039 0.000 1.013 273 G CA -0.383 44.725 45.100 0.014 0.000 0.705 273 G HN -0.541 7.539 8.290 -0.013 0.202 0.508 274 V N -4.376 115.572 119.914 0.057 0.000 2.811 274 V HA 0.212 nan 4.120 nan 0.000 0.302 274 V C -0.690 175.493 176.094 0.149 0.000 1.063 274 V CA -1.212 61.161 62.300 0.122 0.000 1.088 274 V CB -0.151 31.777 31.823 0.175 0.000 0.982 274 V HN -0.836 7.374 8.190 0.032 0.000 0.485 275 K N 4.842 125.387 120.400 0.241 0.000 2.400 275 K HA -0.007 nan 4.320 nan 0.000 0.194 275 K C -0.585 176.125 176.600 0.184 0.000 1.033 275 K CA 1.140 57.566 56.287 0.233 0.000 1.021 275 K CB 0.743 33.422 32.500 0.299 0.000 0.808 275 K HN 0.710 9.137 8.250 0.296 0.000 0.505 276 A N -3.438 119.474 122.820 0.154 0.000 2.608 276 A HA 0.323 nan 4.320 nan 0.000 0.292 276 A C -2.626 174.907 177.584 -0.086 0.000 1.066 276 A CA -0.336 51.634 52.037 -0.112 0.000 0.676 276 A CB 2.952 21.679 19.000 -0.456 0.000 1.277 276 A HN -0.667 7.645 8.150 0.271 0.000 0.413 277 L N -0.724 120.390 121.223 -0.183 0.000 2.294 277 L HA 0.691 nan 4.340 nan 0.000 0.283 277 L C -1.637 175.081 176.870 -0.253 0.000 1.015 277 L CA -1.353 53.443 54.840 -0.074 0.000 0.831 277 L CB 2.137 44.179 42.059 -0.029 0.000 1.217 277 L HN 0.770 8.727 8.230 -0.281 0.105 0.420 278 F N 4.832 124.667 119.950 -0.193 0.000 2.335 278 F HA 0.273 nan 4.527 nan 0.000 0.365 278 F C -0.975 174.723 175.800 -0.169 0.000 1.122 278 F CA -0.660 57.201 58.000 -0.232 0.000 1.151 278 F CB 0.425 39.242 39.000 -0.306 0.000 1.282 278 F HN 0.793 9.194 8.300 0.168 0.000 0.513 279 V N 7.217 127.112 119.914 -0.031 0.000 2.408 279 V HA 0.185 nan 4.120 nan 0.000 0.267 279 V C -0.226 175.847 176.094 -0.035 0.000 1.047 279 V CA -0.049 62.232 62.300 -0.032 0.000 0.937 279 V CB -0.290 31.515 31.823 -0.031 0.000 0.999 279 V HN 0.811 8.851 8.190 -0.084 0.100 0.472 280 T N 10.424 124.925 114.554 -0.089 0.000 2.738 280 T HA 0.172 nan 4.350 nan 0.000 0.294 280 T C 0.900 175.647 174.700 0.078 0.000 0.914 280 T CA 0.728 62.801 62.100 -0.045 0.000 1.052 280 T CB -1.018 67.701 68.868 -0.247 0.000 0.897 280 T HN 0.481 8.610 8.240 -0.184 0.000 0.522 281 V N 0.769 120.711 119.914 0.046 0.000 3.647 281 V HA 0.302 nan 4.120 nan 0.000 0.279 281 V C -0.508 175.615 176.094 0.049 0.000 1.314 281 V CA 0.866 63.176 62.300 0.015 0.000 1.125 281 V CB -0.059 31.704 31.823 -0.099 0.000 0.907 281 V HN 0.634 8.841 8.190 0.028 0.000 0.434 282 D N -0.734 119.732 120.400 0.110 0.000 2.319 282 D HA -0.060 nan 4.640 nan 0.000 0.230 282 D C -0.494 175.847 176.300 0.068 0.000 1.094 282 D CA -0.256 53.801 54.000 0.095 0.000 0.856 282 D CB -1.161 39.720 40.800 0.134 0.000 0.915 282 D HN -0.201 8.254 8.370 0.142 0.000 0.517 283 A N -1.591 121.281 122.820 0.088 0.000 3.253 283 A HA 0.415 nan 4.320 nan 0.000 0.290 283 A C -1.384 176.161 177.584 -0.064 0.000 0.950 283 A CA -2.200 49.819 52.037 -0.030 0.000 0.986 283 A CB -0.530 18.438 19.000 -0.054 0.000 1.104 283 A HN -0.446 7.734 8.150 0.151 0.060 0.481 284 P HA -0.041 nan 4.420 nan 0.000 0.215 284 P C -0.531 176.722 177.300 -0.079 0.000 1.157 284 P CA 0.799 63.865 63.100 -0.057 0.000 0.859 284 P CB 0.684 32.361 31.700 -0.039 0.000 0.786 285 S N -2.703 112.952 115.700 -0.075 0.000 2.509 285 S HA 0.050 nan 4.470 nan 0.000 0.297 285 S C -0.769 173.768 174.600 -0.106 0.000 1.118 285 S CA -1.325 56.827 58.200 -0.081 0.000 1.074 285 S CB 1.455 64.621 63.200 -0.055 0.000 1.038 285 S HN -0.559 7.712 8.310 -0.065 0.000 0.498 286 L N 5.783 126.935 121.223 -0.118 0.000 2.499 286 L HA -0.032 nan 4.340 nan 0.000 0.273 286 L C 0.121 176.927 176.870 -0.107 0.000 1.195 286 L CA 0.719 55.479 54.840 -0.133 0.000 0.882 286 L CB 0.702 42.688 42.059 -0.122 0.000 1.133 286 L HN -0.264 7.792 8.230 -0.111 0.108 0.483 287 G N 3.546 112.271 108.800 -0.125 0.000 2.491 287 G HA2 -0.098 nan 3.960 nan 0.000 0.238 287 G HA3 -0.098 nan 3.960 nan 0.000 0.238 287 G C -2.234 172.628 174.900 -0.064 0.000 1.277 287 G CA -0.544 44.502 45.100 -0.090 0.000 0.851 287 G HN -0.063 8.273 8.290 -0.173 -0.150 0.573 288 Q N 2.072 121.848 119.800 -0.040 0.000 2.295 288 Q HA -0.107 nan 4.340 nan 0.000 0.259 288 Q C -0.512 175.471 176.000 -0.028 0.000 0.976 288 Q CA -0.199 55.588 55.803 -0.027 0.000 0.923 288 Q CB 0.772 29.503 28.738 -0.011 0.000 1.185 288 Q HN 0.333 8.584 8.270 -0.031 0.000 0.410 289 R N 7.852 128.335 120.500 -0.028 0.000 2.396 289 R HA 0.278 nan 4.340 nan 0.000 0.292 289 R C 0.131 176.423 176.300 -0.014 0.000 1.240 289 R CA -0.953 55.127 56.100 -0.034 0.000 1.270 289 R CB 0.052 30.320 30.300 -0.053 0.000 1.108 289 R HN 0.633 8.890 8.270 -0.021 0.000 0.573 290 E N 5.449 125.645 120.200 -0.007 0.000 2.171 290 E HA -0.463 nan 4.350 nan 0.000 0.197 290 E C 1.185 177.791 176.600 0.008 0.000 0.997 290 E CA 3.904 60.308 56.400 0.006 0.000 0.810 290 E CB -0.267 29.441 29.700 0.013 0.000 0.738 290 E HN 0.093 8.447 8.360 -0.010 0.000 0.467 291 K N -2.747 117.652 120.400 -0.002 0.000 2.211 291 K HA -0.272 nan 4.320 nan 0.000 0.203 291 K C 2.397 179.005 176.600 0.013 0.000 1.050 291 K CA 2.801 59.092 56.287 0.007 0.000 0.945 291 K CB -0.339 32.155 32.500 -0.010 0.000 0.732 291 K HN 0.142 8.368 8.250 -0.016 0.014 0.451 292 D N 0.388 120.794 120.400 0.009 0.000 2.120 292 D HA -0.126 nan 4.640 nan 0.000 0.202 292 D C 1.854 178.173 176.300 0.032 0.000 0.972 292 D CA 3.287 57.304 54.000 0.029 0.000 0.837 292 D CB 0.182 41.015 40.800 0.056 0.000 0.989 292 D HN -0.438 7.800 8.370 -0.001 0.132 0.469 293 M N -0.033 119.583 119.600 0.027 0.000 2.088 293 M HA -0.544 nan 4.480 nan 0.000 0.256 293 M C 2.260 178.583 176.300 0.038 0.000 1.071 293 M CA 4.104 59.423 55.300 0.031 0.000 1.097 293 M CB 0.040 32.656 32.600 0.026 0.000 1.315 293 M HN -0.051 8.251 8.290 0.020 0.000 0.406 294 K N -0.958 119.463 120.400 0.034 0.000 2.160 294 K HA -0.270 nan 4.320 nan 0.000 0.206 294 K C 1.554 178.178 176.600 0.039 0.000 1.047 294 K CA 2.935 59.245 56.287 0.037 0.000 0.930 294 K CB -0.284 32.237 32.500 0.035 0.000 0.720 294 K HN -0.099 8.168 8.250 0.029 0.000 0.450 295 L N -2.014 119.229 121.223 0.033 0.000 2.341 295 L HA -0.087 nan 4.340 nan 0.000 0.214 295 L C 0.088 176.973 176.870 0.026 0.000 1.115 295 L CA 1.088 55.942 54.840 0.023 0.000 0.820 295 L CB 0.754 42.818 42.059 0.009 0.000 0.944 295 L HN -0.622 7.464 8.230 0.032 0.163 0.452 322 L N 1.056 122.243 121.223 -0.060 0.000 2.476 322 L HA 0.006 nan 4.340 nan 0.000 0.264 322 L C -0.656 176.174 176.870 -0.068 0.000 1.224 322 L CA 0.196 55.000 54.840 -0.059 0.000 0.821 322 L CB 0.455 42.489 42.059 -0.041 0.000 1.101 322 L HN -0.128 8.074 8.230 -0.048 0.000 0.488 323 S N -1.032 114.632 115.700 -0.060 0.000 2.595 323 S HA 0.177 nan 4.470 nan 0.000 0.270 323 S C -0.073 174.521 174.600 -0.010 0.000 1.145 323 S CA -0.514 57.656 58.200 -0.051 0.000 0.825 323 S CB 2.663 65.813 63.200 -0.083 0.000 1.107 323 S HN -0.013 8.265 8.310 -0.054 0.000 0.461 324 K N 2.617 123.032 120.400 0.025 0.000 2.243 324 K HA -0.021 nan 4.320 nan 0.000 0.201 324 K C 1.822 178.443 176.600 0.036 0.000 1.051 324 K CA 1.952 58.255 56.287 0.028 0.000 0.970 324 K CB 0.359 32.880 32.500 0.036 0.000 0.755 324 K HN 0.433 9.016 8.250 0.022 -0.320 0.465 325 F N -1.331 118.564 119.950 -0.092 0.000 2.111 325 F HA -0.355 nan 4.527 nan 0.000 0.300 325 F C 0.303 176.041 175.800 -0.103 0.000 1.088 325 F CA 3.878 61.815 58.000 -0.105 0.000 1.243 325 F CB 0.536 39.430 39.000 -0.178 0.000 0.996 325 F HN -0.606 7.821 8.300 0.259 0.029 0.483 326 I N -2.068 118.506 120.570 0.007 0.000 2.437 326 I HA -0.059 nan 4.170 nan 0.000 0.279 326 I C -2.287 173.799 176.117 -0.052 0.000 1.028 326 I CA -1.625 59.621 61.300 -0.090 0.000 1.142 326 I CB 0.992 38.799 38.000 -0.322 0.000 1.266 326 I HN -0.963 7.221 8.210 0.017 0.036 0.461 327 D N 8.173 128.556 120.400 -0.028 0.000 2.487 327 D HA -0.080 nan 4.640 nan 0.000 0.243 327 D C -0.250 176.035 176.300 -0.025 0.000 1.154 327 D CA -0.954 53.033 54.000 -0.023 0.000 0.876 327 D CB 1.728 42.519 40.800 -0.015 0.000 1.161 327 D HN 0.067 8.427 8.370 -0.017 0.000 0.478 328 P HA 0.116 nan 4.420 nan 0.000 0.255 328 P C -0.884 176.400 177.300 -0.026 0.000 1.248 328 P CA 0.258 63.340 63.100 -0.031 0.000 0.807 328 P CB 0.172 31.853 31.700 -0.032 0.000 1.150 329 S N -0.050 115.638 115.700 -0.021 0.000 2.622 329 S HA 0.031 nan 4.470 nan 0.000 0.236 329 S C -0.268 174.316 174.600 -0.026 0.000 0.956 329 S CA -0.692 57.497 58.200 -0.019 0.000 0.971 329 S CB -0.052 63.143 63.200 -0.009 0.000 0.782 329 S HN -0.541 8.065 8.310 -0.018 -0.307 0.468 330 L N 1.794 122.993 121.223 -0.040 0.000 2.380 330 L HA 0.103 nan 4.340 nan 0.000 0.273 330 L C -0.749 176.061 176.870 -0.101 0.000 1.138 330 L CA 0.697 55.504 54.840 -0.056 0.000 0.832 330 L CB 0.298 42.328 42.059 -0.049 0.000 1.124 330 L HN -0.312 7.823 8.230 -0.041 0.070 0.454 331 T N 1.649 116.141 114.554 -0.102 0.000 2.778 331 T HA 0.348 nan 4.350 nan 0.000 0.293 331 T C 0.599 175.228 174.700 -0.118 0.000 1.144 331 T CA -0.894 61.123 62.100 -0.138 0.000 1.010 331 T CB 2.047 70.913 68.868 -0.003 0.000 1.325 331 T HN -0.278 8.131 8.240 -0.063 -0.207 0.515 332 W N 0.353 121.662 121.300 0.015 0.000 2.350 332 W HA -0.293 nan 4.660 nan 0.000 0.289 332 W C 1.759 178.282 176.519 0.007 0.000 1.215 332 W CA 2.788 60.139 57.345 0.011 0.000 1.236 332 W CB -0.198 29.267 29.460 0.009 0.000 1.130 332 W HN 0.317 8.485 8.180 -0.021 0.000 0.541 333 K N -1.017 119.512 120.400 0.214 0.000 2.097 333 K HA -0.262 nan 4.320 nan 0.000 0.205 333 K C 1.508 178.159 176.600 0.085 0.000 1.050 333 K CA 2.695 59.057 56.287 0.126 0.000 0.938 333 K CB -1.047 31.507 32.500 0.091 0.000 0.718 333 K HN 0.104 8.450 8.250 0.205 0.027 0.442 334 D N -1.163 119.273 120.400 0.060 0.000 2.218 334 D HA -0.205 nan 4.640 nan 0.000 0.204 334 D C 2.305 178.624 176.300 0.032 0.000 0.976 334 D CA 3.308 57.326 54.000 0.031 0.000 0.853 334 D CB -0.173 40.628 40.800 0.003 0.000 0.939 334 D HN -0.374 7.932 8.370 0.056 0.098 0.481 335 I N -0.600 120.001 120.570 0.053 0.000 2.339 335 I HA -0.220 nan 4.170 nan 0.000 0.245 335 I C 1.614 177.772 176.117 0.068 0.000 1.096 335 I CA 1.130 62.464 61.300 0.056 0.000 1.408 335 I CB -0.431 37.625 38.000 0.092 0.000 1.092 335 I HN -0.846 7.267 8.210 0.078 0.144 0.423 336 E N 0.325 120.582 120.200 0.094 0.000 2.097 336 E HA -0.424 nan 4.350 nan 0.000 0.196 336 E C 3.026 179.651 176.600 0.043 0.000 1.000 336 E CA 3.460 59.902 56.400 0.069 0.000 0.804 336 E CB -0.382 29.361 29.700 0.072 0.000 0.740 336 E HN -0.341 8.097 8.360 0.130 0.000 0.454 337 E N -1.500 118.724 120.200 0.039 0.000 2.072 337 E HA -0.234 nan 4.350 nan 0.000 0.191 337 E C 2.312 178.924 176.600 0.019 0.000 0.985 337 E CA 2.054 58.469 56.400 0.025 0.000 0.801 337 E CB -0.459 29.255 29.700 0.022 0.000 0.750 337 E HN -0.149 8.239 8.360 0.047 0.000 0.452 338 L N -0.486 120.749 121.223 0.019 0.000 2.043 338 L HA -0.379 nan 4.340 nan 0.000 0.212 338 L C 2.583 179.457 176.870 0.006 0.000 1.075 338 L CA 2.743 57.590 54.840 0.011 0.000 0.752 338 L CB -0.178 41.888 42.059 0.011 0.000 0.891 338 L HN -0.506 7.661 8.230 0.025 0.078 0.432 339 K N -1.923 118.483 120.400 0.010 0.000 2.074 339 K HA -0.361 nan 4.320 nan 0.000 0.209 339 K C 2.529 179.129 176.600 0.001 0.000 1.048 339 K CA 3.367 59.656 56.287 0.003 0.000 0.926 339 K CB -0.500 32.005 32.500 0.008 0.000 0.713 339 K HN -0.165 8.087 8.250 0.018 0.008 0.444 340 K N -0.929 119.474 120.400 0.004 0.000 2.057 340 K HA -0.222 nan 4.320 nan 0.000 0.207 340 K C 1.463 178.062 176.600 -0.001 0.000 1.049 340 K CA 2.502 58.790 56.287 0.002 0.000 0.931 340 K CB -0.332 32.171 32.500 0.005 0.000 0.714 340 K HN -0.550 7.689 8.250 0.009 0.016 0.440 341 K N -5.418 114.982 120.400 -0.000 0.000 2.439 341 K HA 0.001 nan 4.320 nan 0.000 0.197 341 K C 0.088 176.683 176.600 -0.007 0.000 1.041 341 K CA -0.526 55.759 56.287 -0.003 0.000 0.970 341 K CB -0.240 32.259 32.500 -0.002 0.000 0.773 341 K HN -0.316 7.818 8.250 0.002 0.118 0.479 342 T N -1.845 112.705 114.554 -0.008 0.000 2.900 342 T HA 0.256 nan 4.350 nan 0.000 0.303 342 T C -1.126 173.566 174.700 -0.013 0.000 1.142 342 T CA -0.467 61.626 62.100 -0.012 0.000 1.007 342 T CB 2.379 71.239 68.868 -0.014 0.000 1.156 342 T HN -0.518 7.554 8.240 -0.007 0.164 0.490 343 K N 4.966 125.358 120.400 -0.012 0.000 2.379 343 K HA 0.161 nan 4.320 nan 0.000 0.194 343 K C 0.083 176.675 176.600 -0.014 0.000 1.031 343 K CA 0.107 56.387 56.287 -0.011 0.000 1.037 343 K CB 0.355 32.850 32.500 -0.007 0.000 0.824 343 K HN 0.214 8.692 8.250 -0.013 -0.236 0.516 344 L N 2.239 123.452 121.223 -0.018 0.000 2.453 344 L HA 0.222 nan 4.340 nan 0.000 0.261 344 L C -1.402 175.436 176.870 -0.053 0.000 1.179 344 L CA -1.948 52.878 54.840 -0.024 0.000 0.813 344 L CB -0.633 41.416 42.059 -0.018 0.000 1.110 344 L HN -0.788 7.431 8.230 -0.018 0.000 0.466 345 P HA 0.118 nan 4.420 nan 0.000 0.272 345 P C -2.060 175.125 177.300 -0.193 0.000 1.223 345 P CA -0.025 62.999 63.100 -0.126 0.000 0.784 345 P CB 0.438 32.051 31.700 -0.145 0.000 0.923 346 I N 0.913 121.371 120.570 -0.186 0.000 2.418 346 I HA 0.553 nan 4.170 nan 0.000 0.287 346 I C -1.365 174.593 176.117 -0.264 0.000 1.008 346 I CA -1.148 60.033 61.300 -0.199 0.000 1.104 346 I CB 1.647 39.592 38.000 -0.092 0.000 1.264 346 I HN -0.367 7.754 8.210 -0.148 0.000 0.438 347 V N 7.310 126.967 119.914 -0.428 0.000 2.444 347 V HA 0.502 nan 4.120 nan 0.000 0.294 347 V C -1.001 174.948 176.094 -0.241 0.000 1.022 347 V CA -1.491 60.542 62.300 -0.444 0.000 0.850 347 V CB 2.751 33.936 31.823 -1.062 0.000 0.992 347 V HN 1.046 8.852 8.190 -0.472 0.101 0.426 348 I N 7.771 128.300 120.570 -0.068 0.000 2.363 348 I HA 0.166 nan 4.170 nan 0.000 0.292 348 I C -1.498 174.654 176.117 0.058 0.000 1.075 348 I CA -0.057 61.242 61.300 -0.000 0.000 1.333 348 I CB -0.007 38.023 38.000 0.051 0.000 1.415 348 I HN 0.262 8.451 8.210 -0.035 0.000 0.502 349 K N 8.430 128.878 120.400 0.080 0.000 2.183 349 K HA 0.303 nan 4.320 nan 0.000 0.274 349 K C -0.229 176.424 176.600 0.088 0.000 1.009 349 K CA -0.826 55.540 56.287 0.131 0.000 0.888 349 K CB 1.561 34.150 32.500 0.149 0.000 1.078 349 K HN 0.503 8.670 8.250 0.045 0.110 0.459 350 G N 4.117 112.979 108.800 0.104 0.000 2.198 350 G HA2 -0.322 nan 3.960 nan 0.000 0.156 350 G HA3 -0.322 nan 3.960 nan 0.000 0.156 350 G C -0.982 173.975 174.900 0.095 0.000 1.012 350 G CA -0.411 44.750 45.100 0.102 0.000 0.692 350 G HN 0.046 8.410 8.290 0.124 0.000 0.492 351 V N 0.526 120.504 119.914 0.106 0.000 2.715 351 V HA -0.012 nan 4.120 nan 0.000 0.299 351 V C -0.283 175.872 176.094 0.102 0.000 1.054 351 V CA 0.775 63.142 62.300 0.112 0.000 1.077 351 V CB 0.448 32.353 31.823 0.137 0.000 0.972 351 V HN -0.643 7.619 8.190 0.119 0.000 0.484 352 Q N 1.894 121.752 119.800 0.097 0.000 2.103 352 Q HA 0.228 nan 4.340 nan 0.000 0.219 352 Q C -1.317 174.728 176.000 0.076 0.000 0.784 352 Q CA -0.239 55.612 55.803 0.081 0.000 1.014 352 Q CB 2.222 31.004 28.738 0.075 0.000 1.183 352 Q HN 0.478 8.812 8.270 0.106 0.000 0.469 353 R N -5.260 115.291 120.500 0.084 0.000 2.734 353 R HA 0.328 nan 4.340 nan 0.000 0.271 353 R C -0.116 176.225 176.300 0.069 0.000 1.021 353 R CA -1.298 54.843 56.100 0.069 0.000 0.893 353 R CB 1.865 32.206 30.300 0.069 0.000 1.244 353 R HN -0.628 7.702 8.270 0.099 0.000 0.464 354 T N 1.427 116.011 114.554 0.051 0.000 2.833 354 T HA -0.242 nan 4.350 nan 0.000 0.269 354 T C 1.029 175.751 174.700 0.038 0.000 1.054 354 T CA 4.638 66.762 62.100 0.040 0.000 1.135 354 T CB -0.230 68.654 68.868 0.027 0.000 0.869 354 T HN 0.690 8.956 8.240 0.044 0.000 0.466 355 E N -0.406 119.818 120.200 0.041 0.000 2.150 355 E HA -0.304 nan 4.350 nan 0.000 0.193 355 E C 1.678 178.301 176.600 0.039 0.000 0.985 355 E CA 4.046 60.462 56.400 0.026 0.000 0.814 355 E CB -0.804 28.916 29.700 0.033 0.000 0.752 355 E HN 0.261 8.623 8.360 0.047 0.027 0.466 356 D N -1.927 118.540 120.400 0.112 0.000 2.355 356 D HA 0.036 nan 4.640 nan 0.000 0.218 356 D C 1.604 178.008 176.300 0.173 0.000 1.004 356 D CA 1.980 56.109 54.000 0.215 0.000 0.880 356 D CB 0.021 41.017 40.800 0.327 0.000 0.911 356 D HN -0.473 7.945 8.370 0.110 0.018 0.528 357 V N 1.482 121.452 119.914 0.092 0.000 2.331 357 V HA -0.251 nan 4.120 nan 0.000 0.242 357 V C 1.394 177.493 176.094 0.008 0.000 1.034 357 V CA 3.808 66.149 62.300 0.067 0.000 1.027 357 V CB 0.012 31.866 31.823 0.050 0.000 0.667 357 V HN -0.319 7.742 8.190 0.076 0.175 0.457 358 I N -0.660 119.898 120.570 -0.019 0.000 2.264 358 I HA -0.654 nan 4.170 nan 0.000 0.248 358 I C 1.589 177.626 176.117 -0.132 0.000 1.111 358 I CA 4.939 66.203 61.300 -0.060 0.000 1.382 358 I CB -0.290 37.679 38.000 -0.050 0.000 1.060 358 I HN 0.235 8.444 8.210 -0.002 0.000 0.418 359 K N -0.301 119.964 120.400 -0.225 0.000 2.097 359 K HA -0.351 nan 4.320 nan 0.000 0.205 359 K C 1.653 177.963 176.600 -0.482 0.000 1.050 359 K CA 3.665 59.670 56.287 -0.468 0.000 0.938 359 K CB -0.158 31.865 32.500 -0.796 0.000 0.718 359 K HN -0.012 8.137 8.250 -0.169 0.000 0.442 360 A N -1.755 120.896 122.820 -0.281 0.000 2.015 360 A HA -0.148 nan 4.320 nan 0.000 0.219 360 A C 1.623 179.196 177.584 -0.020 0.000 1.163 360 A CA 2.609 54.636 52.037 -0.016 0.000 0.646 360 A CB -0.936 18.198 19.000 0.224 0.000 0.806 360 A HN -0.617 7.434 8.150 -0.165 0.000 0.448 361 A N -1.383 121.408 122.820 -0.048 0.000 1.854 361 A HA -0.254 nan 4.320 nan 0.000 0.214 361 A C 2.601 180.148 177.584 -0.061 0.000 1.192 361 A CA 2.862 54.876 52.037 -0.039 0.000 0.611 361 A CB -0.690 18.287 19.000 -0.038 0.000 0.832 361 A HN 0.152 8.161 8.150 -0.060 0.105 0.442 362 E N -0.718 119.422 120.200 -0.100 0.000 2.097 362 E HA -0.307 nan 4.350 nan 0.000 0.196 362 E C 2.272 178.814 176.600 -0.097 0.000 1.000 362 E CA 2.666 59.002 56.400 -0.107 0.000 0.804 362 E CB 0.064 29.674 29.700 -0.149 0.000 0.740 362 E HN 0.026 8.314 8.360 -0.120 0.000 0.454 363 I N -9.384 111.120 120.570 -0.109 0.000 3.444 363 I HA -0.113 nan 4.170 nan 0.000 0.287 363 I C -0.262 175.849 176.117 -0.010 0.000 1.302 363 I CA 0.235 61.509 61.300 -0.044 0.000 1.368 363 I CB -0.234 37.774 38.000 0.013 0.000 1.048 363 I HN -0.038 8.073 8.210 -0.164 0.000 0.487 364 G N -1.310 107.480 108.800 -0.016 0.000 2.171 364 G HA2 -0.473 nan 3.960 nan 0.000 0.238 364 G HA3 -0.473 nan 3.960 nan 0.000 0.238 364 G C -0.583 174.316 174.900 -0.002 0.000 1.039 364 G CA 0.070 45.164 45.100 -0.010 0.000 0.759 364 G HN -0.461 7.633 8.290 -0.031 0.178 0.501 365 V N 0.350 120.270 119.914 0.010 0.000 2.686 365 V HA 0.067 nan 4.120 nan 0.000 0.295 365 V C -0.192 175.891 176.094 -0.018 0.000 1.057 365 V CA -0.276 62.026 62.300 0.004 0.000 1.012 365 V CB 0.761 32.614 31.823 0.049 0.000 1.006 365 V HN -0.456 7.744 8.190 0.016 0.000 0.477 366 S N 4.241 119.912 115.700 -0.048 0.000 2.423 366 S HA -0.177 nan 4.470 nan 0.000 0.238 366 S C -0.276 174.302 174.600 -0.037 0.000 1.028 366 S CA 2.692 60.860 58.200 -0.055 0.000 1.000 366 S CB 0.631 63.772 63.200 -0.098 0.000 0.797 366 S HN 0.168 8.440 8.310 -0.063 0.000 0.487 367 G N -4.421 104.359 108.800 -0.033 0.000 2.356 367 G HA2 0.192 nan 3.960 nan 0.000 0.294 367 G HA3 0.192 nan 3.960 nan 0.000 0.294 367 G C -3.536 171.391 174.900 0.046 0.000 1.423 367 G CA 0.496 45.613 45.100 0.028 0.000 0.806 367 G HN -0.916 7.310 8.290 -0.053 0.032 0.527 368 V N -0.930 119.060 119.914 0.127 0.000 2.760 368 V HA 0.657 nan 4.120 nan 0.000 0.309 368 V C -1.617 174.630 176.094 0.255 0.000 1.077 368 V CA -0.843 61.546 62.300 0.149 0.000 0.910 368 V CB 4.274 36.168 31.823 0.119 0.000 1.008 368 V HN -0.231 8.052 8.190 0.155 0.000 0.424 369 V N 6.442 126.515 119.914 0.266 0.000 2.334 369 V HA 0.543 nan 4.120 nan 0.000 0.281 369 V C -0.668 175.557 176.094 0.218 0.000 1.016 369 V CA -1.497 61.002 62.300 0.332 0.000 0.832 369 V CB 0.891 32.919 31.823 0.341 0.000 0.999 369 V HN 0.615 8.927 8.190 0.205 0.000 0.439 370 L N 9.030 130.370 121.223 0.196 0.000 2.433 370 L HA 0.231 nan 4.340 nan 0.000 0.284 370 L C -1.473 175.476 176.870 0.132 0.000 1.120 370 L CA -0.028 54.897 54.840 0.140 0.000 0.879 370 L CB -1.314 40.816 42.059 0.117 0.000 1.232 370 L HN 0.411 8.678 8.230 0.224 0.097 0.454 371 S N 3.445 119.215 115.700 0.115 0.000 2.547 371 S HA 0.322 nan 4.470 nan 0.000 0.270 371 S C -1.898 172.759 174.600 0.095 0.000 1.150 371 S CA -0.741 57.519 58.200 0.099 0.000 0.850 371 S CB 1.565 64.823 63.200 0.096 0.000 1.118 371 S HN -0.290 8.087 8.310 0.112 0.000 0.461 372 N N 3.571 122.325 118.700 0.091 0.000 2.517 372 N HA 0.128 nan 4.740 nan 0.000 0.285 372 N C -0.573 175.028 175.510 0.151 0.000 1.528 372 N CA -0.621 52.492 53.050 0.104 0.000 0.892 372 N CB 1.337 39.868 38.487 0.074 0.000 1.356 372 N HN 0.711 9.138 8.380 0.079 0.000 0.495 373 H N 0.446 119.528 119.070 0.019 0.000 2.899 373 H HA -0.406 nan 4.556 nan 0.000 0.282 373 H C -0.104 175.203 175.328 -0.036 0.000 1.198 373 H CA 1.295 57.342 56.048 -0.001 0.000 1.140 373 H CB -1.022 28.745 29.762 0.008 0.000 1.317 373 H HN -0.084 8.219 8.280 0.113 0.045 0.375 374 G N -5.774 103.032 108.800 0.009 0.000 2.179 374 G HA2 -0.408 nan 3.960 nan 0.000 0.260 374 G HA3 -0.408 nan 3.960 nan 0.000 0.260 374 G C -0.445 174.428 174.900 -0.046 0.000 0.977 374 G CA 0.067 45.149 45.100 -0.031 0.000 0.641 374 G HN 0.325 8.629 8.290 0.023 0.000 0.533 375 G N -1.887 106.920 108.800 0.012 0.000 2.289 375 G HA2 -0.436 nan 3.960 nan 0.000 0.280 375 G HA3 -0.436 nan 3.960 nan 0.000 0.280 375 G C -0.767 174.096 174.900 -0.061 0.000 1.089 375 G CA 0.236 45.338 45.100 0.002 0.000 0.939 375 G HN -0.134 8.098 8.290 0.057 0.093 0.499 376 R N -3.823 116.656 120.500 -0.036 0.000 2.659 376 R HA 0.134 nan 4.340 nan 0.000 0.418 376 R C -1.654 174.603 176.300 -0.072 0.000 1.076 376 R CA -0.960 55.095 56.100 -0.074 0.000 1.093 376 R CB 0.311 30.557 30.300 -0.090 0.000 1.400 376 R HN -0.578 7.712 8.270 0.033 0.000 0.583 377 Q N -1.713 118.060 119.800 -0.045 0.000 2.078 377 Q HA 0.038 nan 4.340 nan 0.000 0.183 377 Q C -1.576 174.410 176.000 -0.024 0.000 0.636 377 Q CA -0.234 55.526 55.803 -0.072 0.000 0.587 377 Q CB 1.507 30.199 28.738 -0.078 0.000 2.225 377 Q HN -0.416 7.797 8.270 -0.015 0.048 0.274 378 L N 1.127 122.354 121.223 0.006 0.000 2.331 378 L HA 0.069 nan 4.340 nan 0.000 0.278 378 L C -0.047 176.854 176.870 0.051 0.000 1.106 378 L CA 0.226 55.086 54.840 0.034 0.000 0.824 378 L CB 0.876 42.962 42.059 0.046 0.000 1.142 378 L HN 0.088 8.326 8.230 0.013 0.000 0.443 379 D N 5.825 126.274 120.400 0.081 0.000 2.271 379 D HA -0.160 nan 4.640 nan 0.000 0.206 379 D C 0.391 176.728 176.300 0.061 0.000 0.967 379 D CA 2.099 56.129 54.000 0.049 0.000 0.867 379 D CB 0.467 41.294 40.800 0.046 0.000 0.960 379 D HN 0.363 8.791 8.370 0.097 0.000 0.509 380 F N -1.908 118.052 119.950 0.018 0.000 2.899 380 F HA 0.240 nan 4.527 nan 0.000 0.308 380 F C -0.793 175.020 175.800 0.021 0.000 1.221 380 F CA -1.396 56.615 58.000 0.019 0.000 1.265 380 F CB -0.614 38.395 39.000 0.015 0.000 1.253 380 F HN -0.556 8.012 8.300 0.447 0.000 0.534 381 S N 1.068 116.828 115.700 0.100 0.000 2.584 381 S HA 0.062 nan 4.470 nan 0.000 0.273 381 S C -0.138 174.492 174.600 0.051 0.000 1.311 381 S CA -0.789 57.459 58.200 0.079 0.000 1.034 381 S CB 1.087 64.324 63.200 0.061 0.000 0.939 381 S HN -0.030 8.237 8.310 0.035 0.065 0.513 382 R N 2.933 123.464 120.500 0.050 0.000 2.726 382 R HA -0.115 nan 4.340 nan 0.000 0.272 382 R C -0.874 175.432 176.300 0.009 0.000 1.097 382 R CA 0.357 56.474 56.100 0.029 0.000 1.198 382 R CB 0.766 31.084 30.300 0.030 0.000 1.114 382 R HN 0.263 8.567 8.270 0.058 0.000 0.550 383 A N 0.803 123.613 122.820 -0.016 0.000 2.454 383 A HA 0.263 nan 4.320 nan 0.000 0.260 383 A C -0.853 176.705 177.584 -0.044 0.000 1.106 383 A CA -2.480 49.531 52.037 -0.044 0.000 0.780 383 A CB -0.667 18.275 19.000 -0.097 0.000 1.044 383 A HN 0.371 8.510 8.150 -0.018 0.000 0.498 384 P HA -0.241 nan 4.420 nan 0.000 0.219 384 P C 0.679 177.962 177.300 -0.028 0.000 1.146 384 P CA 2.547 65.651 63.100 0.007 0.000 0.808 384 P CB 0.011 31.742 31.700 0.052 0.000 0.779 385 I N -3.153 117.336 120.570 -0.135 0.000 2.439 385 I HA -0.334 nan 4.170 nan 0.000 0.251 385 I C 0.847 176.907 176.117 -0.094 0.000 1.139 385 I CA 2.297 63.504 61.300 -0.156 0.000 1.438 385 I CB 0.078 37.810 38.000 -0.446 0.000 1.085 385 I HN -0.157 7.918 8.210 -0.210 0.009 0.427 386 E N 0.109 120.254 120.200 -0.092 0.000 2.150 386 E HA -0.305 nan 4.350 nan 0.000 0.193 386 E C 2.501 179.093 176.600 -0.014 0.000 0.985 386 E CA 3.336 59.708 56.400 -0.046 0.000 0.814 386 E CB 0.083 29.760 29.700 -0.039 0.000 0.752 386 E HN -0.264 7.914 8.360 -0.116 0.113 0.466 387 V N 0.553 120.464 119.914 -0.005 0.000 2.488 387 V HA -0.275 nan 4.120 nan 0.000 0.246 387 V C 1.754 177.861 176.094 0.021 0.000 1.046 387 V CA 3.900 66.210 62.300 0.017 0.000 1.053 387 V CB -0.729 31.113 31.823 0.032 0.000 0.679 387 V HN -0.373 7.714 8.190 -0.014 0.095 0.458 388 L N -0.174 121.062 121.223 0.022 0.000 2.013 388 L HA -0.510 nan 4.340 nan 0.000 0.212 388 L C 1.581 178.467 176.870 0.025 0.000 1.073 388 L CA 3.600 58.458 54.840 0.031 0.000 0.753 388 L CB -0.589 41.495 42.059 0.041 0.000 0.890 388 L HN 0.269 8.398 8.230 0.015 0.110 0.432 389 A N -3.792 119.038 122.820 0.018 0.000 2.019 389 A HA -0.294 nan 4.320 nan 0.000 0.219 389 A C 0.938 178.533 177.584 0.018 0.000 1.164 389 A CA 2.594 54.643 52.037 0.019 0.000 0.644 389 A CB -0.756 18.252 19.000 0.013 0.000 0.805 389 A HN -0.216 7.931 8.150 0.008 0.008 0.449 390 E N -2.046 118.164 120.200 0.016 0.000 2.051 390 E HA -0.117 nan 4.350 nan 0.000 0.189 390 E C 2.309 178.920 176.600 0.017 0.000 0.979 390 E CA 2.388 58.797 56.400 0.016 0.000 0.803 390 E CB 0.617 30.327 29.700 0.017 0.000 0.761 390 E HN -0.467 7.739 8.360 0.016 0.163 0.451 391 T N 2.980 117.546 114.554 0.020 0.000 2.668 391 T HA -0.237 nan 4.350 nan 0.000 0.262 391 T C 2.512 177.221 174.700 0.015 0.000 1.045 391 T CA 4.549 66.661 62.100 0.020 0.000 1.152 391 T CB -0.256 68.628 68.868 0.026 0.000 0.864 391 T HN 0.091 8.345 8.240 0.022 0.000 0.419 392 M N -0.165 119.444 119.600 0.016 0.000 2.144 392 M HA -0.123 nan 4.480 nan 0.000 0.260 392 M C -0.725 175.581 176.300 0.011 0.000 1.067 392 M CA 2.622 57.929 55.300 0.013 0.000 1.095 392 M CB -3.248 29.362 32.600 0.017 0.000 1.365 392 M HN 0.129 8.431 8.290 0.020 0.000 0.406 393 P HA -0.206 nan 4.420 nan 0.000 0.215 393 P C 1.637 178.941 177.300 0.007 0.000 1.157 393 P CA 3.318 66.424 63.100 0.010 0.000 0.868 393 P CB -0.661 31.046 31.700 0.012 0.000 0.788 394 I N -2.659 117.915 120.570 0.007 0.000 2.226 394 I HA -0.489 nan 4.170 nan 0.000 0.245 394 I C 1.843 177.960 176.117 -0.000 0.000 1.100 394 I CA 3.879 65.181 61.300 0.003 0.000 1.374 394 I CB -0.199 37.803 38.000 0.004 0.000 1.057 394 I HN -0.524 7.613 8.210 0.009 0.078 0.413 395 L N -1.701 119.523 121.223 0.000 0.000 2.275 395 L HA -0.466 nan 4.340 nan 0.000 0.215 395 L C 2.075 178.943 176.870 -0.004 0.000 1.119 395 L CA 2.990 57.827 54.840 -0.004 0.000 0.790 395 L CB -0.871 41.185 42.059 -0.005 0.000 0.919 395 L HN 0.074 8.306 8.230 0.004 0.000 0.443 396 E N -0.529 119.670 120.200 -0.001 0.000 2.033 396 E HA -0.358 nan 4.350 nan 0.000 0.189 396 E C 2.771 179.370 176.600 -0.001 0.000 0.979 396 E CA 3.183 59.583 56.400 -0.000 0.000 0.802 396 E CB -0.277 29.424 29.700 0.003 0.000 0.763 396 E HN -0.176 8.094 8.360 0.002 0.091 0.449 397 Q N -0.044 119.755 119.800 -0.001 0.000 2.082 397 Q HA -0.312 nan 4.340 nan 0.000 0.211 397 Q C 2.682 178.679 176.000 -0.005 0.000 1.002 397 Q CA 3.342 59.144 55.803 -0.002 0.000 0.868 397 Q CB -0.006 28.731 28.738 -0.001 0.000 0.931 397 Q HN -0.018 8.253 8.270 0.001 0.000 0.414 398 R N -3.937 116.558 120.500 -0.007 0.000 2.404 398 R HA 0.024 nan 4.340 nan 0.000 0.236 398 R C -0.304 175.989 176.300 -0.012 0.000 1.044 398 R CA -0.464 55.630 56.100 -0.011 0.000 1.133 398 R CB -0.815 29.476 30.300 -0.015 0.000 1.142 398 R HN -0.266 8.000 8.270 -0.006 0.000 0.512 399 N N -2.946 115.748 118.700 -0.009 0.000 2.627 399 N HA -0.291 nan 4.740 nan 0.000 0.248 399 N C 0.596 176.100 175.510 -0.011 0.000 1.173 399 N CA 1.732 54.777 53.050 -0.009 0.000 0.741 399 N CB -0.423 38.059 38.487 -0.008 0.000 1.128 399 N HN -0.024 8.140 8.380 -0.007 0.212 0.562 400 L N -3.481 117.734 121.223 -0.013 0.000 2.558 400 L HA -0.052 nan 4.340 nan 0.000 0.225 400 L C 0.942 177.804 176.870 -0.014 0.000 1.128 400 L CA 0.777 55.608 54.840 -0.016 0.000 0.868 400 L CB -0.404 41.643 42.059 -0.020 0.000 1.006 400 L HN -0.247 7.887 8.230 -0.013 0.088 0.454 401 K N 1.313 121.706 120.400 -0.012 0.000 2.113 401 K HA -0.393 nan 4.320 nan 0.000 0.208 401 K C 0.960 177.550 176.600 -0.016 0.000 1.047 401 K CA 3.551 59.831 56.287 -0.013 0.000 0.928 401 K CB -0.200 32.295 32.500 -0.008 0.000 0.716 401 K HN -0.355 7.838 8.250 -0.010 0.051 0.446 402 D N -3.239 117.154 120.400 -0.012 0.000 2.319 402 D HA 0.019 nan 4.640 nan 0.000 0.230 402 D C 0.219 176.511 176.300 -0.013 0.000 1.094 402 D CA 0.859 54.852 54.000 -0.012 0.000 0.856 402 D CB -0.567 40.229 40.800 -0.006 0.000 0.915 402 D HN -0.080 8.284 8.370 -0.010 0.000 0.517 403 K N -2.323 118.068 120.400 -0.016 0.000 2.758 403 K HA 0.204 nan 4.320 nan 0.000 0.208 403 K C -1.091 175.498 176.600 -0.018 0.000 1.091 403 K CA -0.633 55.645 56.287 -0.015 0.000 1.059 403 K CB 0.454 32.945 32.500 -0.014 0.000 0.801 403 K HN -0.148 7.912 8.250 -0.017 0.180 0.470 404 L N -0.491 120.717 121.223 -0.025 0.000 2.751 404 L HA 0.174 nan 4.340 nan 0.000 0.261 404 L C -2.273 174.565 176.870 -0.053 0.000 0.927 404 L CA 0.622 55.446 54.840 -0.027 0.000 0.968 404 L CB 2.962 45.010 42.059 -0.018 0.000 1.432 404 L HN -0.677 7.476 8.230 -0.028 0.060 0.439 405 E N 6.813 126.969 120.200 -0.073 0.000 2.115 405 E HA 0.273 nan 4.350 nan 0.000 0.282 405 E C -1.407 175.010 176.600 -0.305 0.000 0.987 405 E CA -1.234 55.044 56.400 -0.203 0.000 0.797 405 E CB 1.829 31.398 29.700 -0.219 0.000 1.086 405 E HN -0.033 8.306 8.360 -0.036 0.000 0.397 406 V N 4.883 124.615 119.914 -0.303 0.000 2.385 406 V HA 0.396 nan 4.120 nan 0.000 0.269 406 V C -0.954 174.940 176.094 -0.333 0.000 1.043 406 V CA -0.312 61.879 62.300 -0.182 0.000 0.906 406 V CB -0.158 31.627 31.823 -0.062 0.000 0.995 406 V HN 0.612 8.640 8.190 -0.270 0.000 0.467 407 F N 7.551 127.595 119.950 0.157 0.000 2.461 407 F HA 0.733 nan 4.527 nan 0.000 0.337 407 F C -0.936 174.987 175.800 0.204 0.000 1.079 407 F CA -1.217 56.926 58.000 0.239 0.000 1.032 407 F CB 2.675 41.893 39.000 0.362 0.000 1.327 407 F HN 0.458 8.939 8.300 0.302 0.000 0.491 408 V N -1.310 118.841 119.914 0.395 0.000 2.932 408 V HA 0.533 nan 4.120 nan 0.000 0.307 408 V C -2.325 173.899 176.094 0.216 0.000 1.147 408 V CA -0.525 61.924 62.300 0.248 0.000 0.951 408 V CB 3.791 35.742 31.823 0.212 0.000 1.031 408 V HN -0.123 8.366 8.190 0.498 0.000 0.426 409 D N 2.938 123.433 120.400 0.158 0.000 2.921 409 D HA 0.507 nan 4.640 nan 0.000 0.329 409 D C -0.533 175.831 176.300 0.106 0.000 1.293 409 D CA -2.020 52.035 54.000 0.091 0.000 0.964 409 D CB 2.849 43.665 40.800 0.026 0.000 1.435 409 D HN 0.056 8.516 8.370 0.150 0.000 0.548 410 G N -2.346 106.497 108.800 0.072 0.000 3.391 410 G HA2 -0.325 nan 3.960 nan 0.000 0.675 410 G HA3 -0.325 nan 3.960 nan 0.000 0.675 410 G C 0.406 175.415 174.900 0.182 0.000 0.899 410 G CA -0.271 44.888 45.100 0.097 0.000 0.755 410 G HN 0.057 8.366 8.290 0.031 0.000 0.475 411 G N -1.135 107.764 108.800 0.165 0.000 2.176 411 G HA2 -0.420 nan 3.960 nan 0.000 0.253 411 G HA3 -0.420 nan 3.960 nan 0.000 0.253 411 G C -1.141 173.914 174.900 0.259 0.000 0.979 411 G CA 0.415 45.655 45.100 0.234 0.000 0.641 411 G HN -0.007 8.348 8.290 0.108 0.000 0.530 412 V N 0.482 120.465 119.914 0.115 0.000 2.470 412 V HA -0.002 nan 4.120 nan 0.000 0.276 412 V C -0.298 175.710 176.094 -0.142 0.000 1.040 412 V CA 0.671 62.929 62.300 -0.069 0.000 1.008 412 V CB -1.288 30.480 31.823 -0.091 0.000 0.990 412 V HN 0.014 8.210 8.190 0.091 0.049 0.477 413 R N 5.512 125.919 120.500 -0.155 0.000 2.568 413 R HA 0.341 nan 4.340 nan 0.000 0.254 413 R C -0.620 175.529 176.300 -0.251 0.000 0.925 413 R CA -0.191 55.752 56.100 -0.261 0.000 1.025 413 R CB 3.281 33.385 30.300 -0.327 0.000 1.428 413 R HN 0.620 9.180 8.270 -0.109 -0.356 0.573 414 R N -2.208 118.208 120.500 -0.139 0.000 2.686 414 R HA 0.323 nan 4.340 nan 0.000 0.283 414 R C 0.658 176.892 176.300 -0.109 0.000 0.978 414 R CA -1.461 54.582 56.100 -0.095 0.000 0.897 414 R CB 3.162 33.470 30.300 0.013 0.000 1.192 414 R HN -0.713 7.643 8.270 -0.145 -0.173 0.457 415 G N 2.595 111.346 108.800 -0.083 0.000 2.475 415 G HA2 -0.371 nan 3.960 nan 0.000 0.220 415 G HA3 -0.371 nan 3.960 nan 0.000 0.220 415 G C 0.497 175.391 174.900 -0.010 0.000 1.125 415 G CA 2.515 47.586 45.100 -0.048 0.000 0.755 415 G HN 0.333 8.814 8.290 -0.076 -0.237 0.565 416 T N -1.396 113.172 114.554 0.023 0.000 2.833 416 T HA -0.363 nan 4.350 nan 0.000 0.269 416 T C 1.953 176.693 174.700 0.067 0.000 1.054 416 T CA 3.592 65.772 62.100 0.134 0.000 1.135 416 T CB -0.960 68.021 68.868 0.189 0.000 0.869 416 T HN 0.149 8.396 8.240 0.012 0.000 0.466 417 D N 2.842 123.158 120.400 -0.139 0.000 2.103 417 D HA -0.275 nan 4.640 nan 0.000 0.190 417 D C 1.875 178.003 176.300 -0.287 0.000 0.997 417 D CA 3.027 56.736 54.000 -0.486 0.000 0.833 417 D CB -0.752 39.603 40.800 -0.741 0.000 0.961 417 D HN -0.310 7.975 8.370 -0.122 0.012 0.447 418 V N 0.044 119.867 119.914 -0.151 0.000 2.332 418 V HA -0.396 nan 4.120 nan 0.000 0.248 418 V C 2.024 178.161 176.094 0.073 0.000 1.055 418 V CA 4.154 66.447 62.300 -0.012 0.000 1.038 418 V CB -0.599 31.239 31.823 0.025 0.000 0.651 418 V HN -0.714 7.380 8.190 -0.160 0.000 0.450 419 L N -2.709 118.569 121.223 0.092 0.000 2.141 419 L HA -0.462 nan 4.340 nan 0.000 0.209 419 L C 2.003 179.005 176.870 0.220 0.000 1.094 419 L CA 3.442 58.361 54.840 0.132 0.000 0.763 419 L CB -0.840 41.274 42.059 0.091 0.000 0.908 419 L HN -0.022 8.171 8.230 0.069 0.078 0.437 420 K N -0.540 120.020 120.400 0.266 0.000 2.057 420 K HA -0.350 nan 4.320 nan 0.000 0.206 420 K C 2.232 178.981 176.600 0.248 0.000 1.050 420 K CA 3.523 59.983 56.287 0.288 0.000 0.935 420 K CB -0.362 32.300 32.500 0.269 0.000 0.715 420 K HN 0.101 8.359 8.250 0.207 0.117 0.439 421 A N -0.580 122.400 122.820 0.267 0.000 1.933 421 A HA -0.200 nan 4.320 nan 0.000 0.218 421 A C 2.146 179.827 177.584 0.163 0.000 1.175 421 A CA 3.086 55.269 52.037 0.243 0.000 0.628 421 A CB -0.672 18.483 19.000 0.260 0.000 0.814 421 A HN -0.140 8.159 8.150 0.249 0.000 0.444 422 L N -3.406 117.902 121.223 0.142 0.000 2.127 422 L HA -0.221 nan 4.340 nan 0.000 0.203 422 L C 2.380 179.306 176.870 0.093 0.000 1.080 422 L CA 2.624 57.527 54.840 0.105 0.000 0.768 422 L CB -0.261 41.856 42.059 0.097 0.000 0.924 422 L HN -0.122 8.109 8.230 0.149 0.088 0.444 423 C N -1.046 118.320 119.300 0.109 0.000 2.403 423 C HA -0.333 nan 4.460 nan 0.000 0.279 423 C C 1.325 176.368 174.990 0.089 0.000 1.269 423 C CA 3.047 62.125 59.018 0.099 0.000 1.774 423 C CB -1.514 26.308 27.740 0.137 0.000 1.993 423 C HN -0.021 8.288 8.230 0.132 0.000 0.496 424 L N -3.682 117.600 121.223 0.098 0.000 2.599 424 L HA -0.109 nan 4.340 nan 0.000 0.230 424 L C 0.424 177.327 176.870 0.054 0.000 1.141 424 L CA 0.580 55.465 54.840 0.075 0.000 0.877 424 L CB 0.176 42.284 42.059 0.081 0.000 1.009 424 L HN -0.567 7.724 8.230 0.120 0.011 0.447 425 G N -3.448 105.381 108.800 0.048 0.000 2.284 425 G HA2 -0.215 nan 3.960 nan 0.000 0.201 425 G HA3 -0.215 nan 3.960 nan 0.000 0.201 425 G C -0.884 174.019 174.900 0.005 0.000 0.998 425 G CA -0.496 44.618 45.100 0.023 0.000 0.651 425 G HN -0.259 7.894 8.290 0.059 0.173 0.489 426 A N 1.691 124.526 122.820 0.025 0.000 2.477 426 A HA -0.015 nan 4.320 nan 0.000 0.246 426 A C -0.282 177.286 177.584 -0.028 0.000 1.078 426 A CA 0.241 52.273 52.037 -0.008 0.000 0.770 426 A CB 0.101 19.142 19.000 0.068 0.000 1.011 426 A HN -0.649 7.535 8.150 0.057 0.000 0.494 427 K N 3.929 124.228 120.400 -0.168 0.000 2.057 427 K HA -0.202 nan 4.320 nan 0.000 0.207 427 K C -0.620 176.010 176.600 0.050 0.000 1.049 427 K CA 2.020 58.212 56.287 -0.159 0.000 0.931 427 K CB 0.900 33.131 32.500 -0.449 0.000 0.714 427 K HN -0.031 8.046 8.250 -0.288 0.000 0.440 428 G N -7.440 101.488 108.800 0.213 0.000 2.720 428 G HA2 0.391 nan 3.960 nan 0.000 0.295 428 G HA3 0.391 nan 3.960 nan 0.000 0.295 428 G C -3.101 172.139 174.900 0.567 0.000 1.437 428 G CA -0.453 44.978 45.100 0.551 0.000 0.886 428 G HN -0.945 7.390 8.290 0.075 0.000 0.509 429 V N -1.211 118.922 119.914 0.364 0.000 2.815 429 V HA 0.799 nan 4.120 nan 0.000 0.314 429 V C -1.259 174.676 176.094 -0.266 0.000 1.064 429 V CA -2.386 60.004 62.300 0.149 0.000 0.952 429 V CB 3.381 35.279 31.823 0.125 0.000 1.020 429 V HN 0.075 8.483 8.190 0.363 0.000 0.439 430 G N 1.241 109.727 108.800 -0.523 0.000 2.533 430 G HA2 0.914 nan 3.960 nan 0.000 0.304 430 G HA3 0.914 nan 3.960 nan 0.000 0.304 430 G C -3.013 171.682 174.900 -0.341 0.000 1.263 430 G CA -1.500 43.028 45.100 -0.953 0.000 0.964 430 G HN -0.162 7.994 8.290 -0.223 0.000 0.479 431 L N -0.590 120.506 121.223 -0.212 0.000 2.408 431 L HA 0.461 nan 4.340 nan 0.000 0.268 431 L C -0.252 176.628 176.870 0.017 0.000 0.986 431 L CA -0.616 54.202 54.840 -0.037 0.000 0.820 431 L CB 2.979 45.079 42.059 0.069 0.000 1.303 431 L HN -0.083 7.997 8.230 -0.249 0.000 0.411 432 G N 1.564 110.334 108.800 -0.051 0.000 2.571 432 G HA2 0.102 nan 3.960 nan 0.000 0.225 432 G HA3 0.102 nan 3.960 nan 0.000 0.225 432 G C 1.106 175.909 174.900 -0.160 0.000 1.731 432 G CA 0.351 45.395 45.100 -0.094 0.000 0.858 432 G HN 0.299 8.548 8.290 -0.067 0.000 0.611 433 R N 1.249 121.602 120.500 -0.244 0.000 2.103 433 R HA -0.239 nan 4.340 nan 0.000 0.242 433 R C -0.486 175.505 176.300 -0.515 0.000 1.142 433 R CA 4.516 60.322 56.100 -0.489 0.000 0.960 433 R CB -1.769 28.311 30.300 -0.367 0.000 0.858 433 R HN 0.281 8.437 8.270 -0.191 0.000 0.439 434 P HA -0.233 nan 4.420 nan 0.000 0.216 434 P C 1.337 178.317 177.300 -0.534 0.000 1.153 434 P CA 3.380 66.279 63.100 -0.335 0.000 0.858 434 P CB -0.375 31.034 31.700 -0.486 0.000 0.789 435 F N -5.179 114.622 119.950 -0.249 0.000 2.293 435 F HA -0.188 nan 4.527 nan 0.000 0.300 435 F C 2.085 177.698 175.800 -0.312 0.000 1.086 435 F CA 3.594 61.440 58.000 -0.256 0.000 1.375 435 F CB -0.416 38.466 39.000 -0.195 0.000 1.045 435 F HN -0.661 7.464 8.300 -0.280 0.007 0.516 436 L N -1.097 119.925 121.223 -0.334 0.000 2.209 436 L HA -0.325 nan 4.340 nan 0.000 0.207 436 L C 1.606 178.254 176.870 -0.370 0.000 1.094 436 L CA 3.037 57.590 54.840 -0.479 0.000 0.790 436 L CB -0.570 40.928 42.059 -0.934 0.000 0.932 436 L HN -0.404 7.461 8.230 -0.419 0.114 0.447 437 Y N -1.245 118.928 120.300 -0.211 0.000 2.286 437 Y HA -0.321 nan 4.550 nan 0.000 0.293 437 Y C 2.016 177.821 175.900 -0.158 0.000 1.124 437 Y CA 2.237 60.284 58.100 -0.088 0.000 1.178 437 Y CB -1.557 36.938 38.460 0.058 0.000 1.010 437 Y HN -0.022 7.900 8.280 -0.444 0.092 0.536 438 A N -0.575 122.050 122.820 -0.325 0.000 1.845 438 A HA -0.451 nan 4.320 nan 0.000 0.215 438 A C 1.612 179.020 177.584 -0.292 0.000 1.195 438 A CA 3.302 54.832 52.037 -0.845 0.000 0.616 438 A CB -0.888 17.429 19.000 -1.137 0.000 0.832 438 A HN 0.611 8.567 8.150 -0.324 0.000 0.443 439 N N -2.223 116.371 118.700 -0.177 0.000 2.104 439 N HA -0.337 nan 4.740 nan 0.000 0.190 439 N C 2.445 177.934 175.510 -0.034 0.000 1.024 439 N CA 3.256 56.265 53.050 -0.069 0.000 0.853 439 N CB 0.164 38.618 38.487 -0.054 0.000 1.008 439 N HN -0.152 8.002 8.380 -0.196 0.108 0.424 440 S N 0.738 116.420 115.700 -0.031 0.000 2.368 440 S HA -0.238 nan 4.470 nan 0.000 0.225 440 S C 1.875 176.479 174.600 0.006 0.000 1.030 440 S CA 3.419 61.633 58.200 0.023 0.000 0.999 440 S CB 0.075 63.330 63.200 0.093 0.000 0.844 440 S HN 0.271 8.431 8.310 -0.065 0.110 0.459 441 C N -0.688 118.611 119.300 -0.003 0.000 2.500 441 C HA -0.151 nan 4.460 nan 0.000 0.279 441 C C 1.407 176.173 174.990 -0.373 0.000 1.288 441 C CA 2.926 61.857 59.018 -0.145 0.000 1.710 441 C CB 0.411 28.137 27.740 -0.024 0.000 2.052 441 C HN -0.500 7.754 8.230 0.040 0.000 0.488 442 Y N -4.092 116.232 120.300 0.041 0.000 2.675 442 Y HA 0.162 nan 4.550 nan 0.000 0.248 442 Y C 0.225 176.133 175.900 0.014 0.000 1.161 442 Y CA -0.392 57.737 58.100 0.049 0.000 1.203 442 Y CB 0.346 38.871 38.460 0.108 0.000 1.262 442 Y HN -0.053 8.297 8.280 0.116 0.000 0.544 443 G N 0.333 109.181 108.800 0.080 0.000 2.574 443 G HA2 -0.525 nan 3.960 nan 0.000 0.286 443 G HA3 -0.525 nan 3.960 nan 0.000 0.286 443 G C -0.098 174.834 174.900 0.053 0.000 1.212 443 G CA 1.430 46.561 45.100 0.053 0.000 0.979 443 G HN 0.276 8.508 8.290 0.041 0.082 0.557 444 R N 2.654 123.184 120.500 0.050 0.000 2.093 444 R HA -0.211 nan 4.340 nan 0.000 0.224 444 R C 1.855 178.185 176.300 0.051 0.000 1.101 444 R CA 2.947 59.070 56.100 0.038 0.000 0.979 444 R CB -0.321 29.995 30.300 0.027 0.000 0.877 444 R HN 0.370 8.670 8.270 0.051 0.000 0.441 445 N N 0.335 119.078 118.700 0.072 0.000 2.270 445 N HA -0.145 nan 4.740 nan 0.000 0.181 445 N C 2.168 177.729 175.510 0.084 0.000 1.016 445 N CA 2.292 55.387 53.050 0.075 0.000 0.870 445 N CB -0.751 37.787 38.487 0.085 0.000 0.979 445 N HN -0.027 8.400 8.380 0.079 0.000 0.431 446 G N 0.697 109.570 108.800 0.121 0.000 2.418 446 G HA2 -0.281 nan 3.960 nan 0.000 0.217 446 G HA3 -0.281 nan 3.960 nan 0.000 0.217 446 G C 1.385 176.236 174.900 -0.082 0.000 1.158 446 G CA 2.105 47.238 45.100 0.055 0.000 0.771 446 G HN -0.230 8.067 8.290 0.164 0.092 0.545 447 V N 2.637 122.546 119.914 -0.009 0.000 2.358 447 V HA -0.442 nan 4.120 nan 0.000 0.246 447 V C 1.967 178.139 176.094 0.130 0.000 1.047 447 V CA 3.891 66.236 62.300 0.075 0.000 1.035 447 V CB -0.829 31.056 31.823 0.103 0.000 0.658 447 V HN -0.092 8.035 8.190 0.019 0.074 0.452 448 E N -0.334 119.920 120.200 0.089 0.000 2.038 448 E HA -0.438 nan 4.350 nan 0.000 0.195 448 E C 2.117 178.783 176.600 0.110 0.000 1.000 448 E CA 3.723 60.178 56.400 0.092 0.000 0.803 448 E CB -0.223 29.512 29.700 0.059 0.000 0.750 448 E HN -0.128 8.271 8.360 0.065 0.000 0.448 449 K N -1.119 119.341 120.400 0.100 0.000 2.211 449 K HA -0.278 nan 4.320 nan 0.000 0.204 449 K C 2.069 178.774 176.600 0.175 0.000 1.047 449 K CA 2.362 58.722 56.287 0.122 0.000 0.935 449 K CB -0.574 32.004 32.500 0.130 0.000 0.728 449 K HN 0.116 8.417 8.250 0.084 0.000 0.452 450 A N -0.553 122.364 122.820 0.162 0.000 1.872 450 A HA -0.150 nan 4.320 nan 0.000 0.214 450 A C 2.002 179.675 177.584 0.148 0.000 1.187 450 A CA 3.019 55.121 52.037 0.108 0.000 0.614 450 A CB -0.821 18.037 19.000 -0.237 0.000 0.826 450 A HN -0.298 7.793 8.150 0.098 0.118 0.442 451 I N -1.514 119.237 120.570 0.302 0.000 2.248 451 I HA -0.664 nan 4.170 nan 0.000 0.248 451 I C 2.209 178.505 176.117 0.298 0.000 1.107 451 I CA 4.336 65.886 61.300 0.415 0.000 1.373 451 I CB -0.407 37.780 38.000 0.311 0.000 1.055 451 I HN 0.004 8.396 8.210 0.303 0.000 0.418 452 E N -0.103 120.202 120.200 0.175 0.000 2.001 452 E HA -0.295 nan 4.350 nan 0.000 0.193 452 E C 2.139 178.797 176.600 0.097 0.000 0.994 452 E CA 3.565 60.035 56.400 0.116 0.000 0.815 452 E CB 0.056 29.803 29.700 0.079 0.000 0.770 452 E HN -0.262 8.090 8.360 0.164 0.106 0.453 453 I N -0.028 120.582 120.570 0.068 0.000 2.103 453 I HA -0.573 nan 4.170 nan 0.000 0.241 453 I C 2.138 178.262 176.117 0.012 0.000 1.036 453 I CA 3.870 65.183 61.300 0.021 0.000 1.300 453 I CB -0.131 37.867 38.000 -0.003 0.000 1.010 453 I HN -0.059 8.199 8.210 0.080 0.000 0.406 454 L N -1.963 119.259 121.223 -0.001 0.000 2.093 454 L HA -0.333 nan 4.340 nan 0.000 0.208 454 L C 1.472 178.401 176.870 0.097 0.000 1.085 454 L CA 3.290 58.099 54.840 -0.053 0.000 0.755 454 L CB -0.501 41.389 42.059 -0.283 0.000 0.904 454 L HN -0.008 8.230 8.230 0.015 0.000 0.435 455 R N -0.563 120.088 120.500 0.253 0.000 2.083 455 R HA -0.486 nan 4.340 nan 0.000 0.237 455 R C 1.880 178.246 176.300 0.111 0.000 1.137 455 R CA 3.668 59.909 56.100 0.234 0.000 0.951 455 R CB -0.722 29.694 30.300 0.193 0.000 0.851 455 R HN -0.215 8.230 8.270 0.291 0.000 0.434 456 D N -0.780 119.665 120.400 0.075 0.000 2.092 456 D HA -0.296 nan 4.640 nan 0.000 0.193 456 D C 2.469 178.785 176.300 0.027 0.000 0.994 456 D CA 3.524 57.548 54.000 0.040 0.000 0.828 456 D CB -0.759 40.056 40.800 0.025 0.000 0.963 456 D HN -0.084 8.336 8.370 0.084 0.000 0.450 457 E N -0.440 119.771 120.200 0.017 0.000 2.160 457 E HA -0.363 nan 4.350 nan 0.000 0.195 457 E C 2.687 179.293 176.600 0.011 0.000 0.991 457 E CA 2.919 59.321 56.400 0.003 0.000 0.810 457 E CB -0.079 29.610 29.700 -0.018 0.000 0.742 457 E HN -0.318 8.052 8.360 0.017 0.000 0.466 458 I N -0.404 120.187 120.570 0.034 0.000 2.286 458 I HA -0.465 nan 4.170 nan 0.000 0.245 458 I C 1.819 177.948 176.117 0.021 0.000 1.104 458 I CA 4.281 65.604 61.300 0.039 0.000 1.397 458 I CB -0.073 37.983 38.000 0.093 0.000 1.072 458 I HN 0.023 8.159 8.210 0.055 0.106 0.417 459 E N 0.512 120.728 120.200 0.026 0.000 2.072 459 E HA -0.377 nan 4.350 nan 0.000 0.191 459 E C 2.515 179.113 176.600 -0.005 0.000 0.985 459 E CA 3.266 59.673 56.400 0.012 0.000 0.801 459 E CB 0.078 29.789 29.700 0.020 0.000 0.750 459 E HN -0.122 8.172 8.360 0.039 0.090 0.452 460 M N -0.928 118.670 119.600 -0.003 0.000 2.080 460 M HA -0.288 nan 4.480 nan 0.000 0.260 460 M C 2.431 178.716 176.300 -0.026 0.000 1.068 460 M CA 2.384 57.677 55.300 -0.011 0.000 1.109 460 M CB -0.741 31.855 32.600 -0.006 0.000 1.342 460 M HN 0.040 8.334 8.290 0.005 0.000 0.405 461 S N -0.830 114.850 115.700 -0.034 0.000 2.436 461 S HA -0.174 nan 4.470 nan 0.000 0.228 461 S C 2.207 176.739 174.600 -0.113 0.000 1.014 461 S CA 3.343 61.502 58.200 -0.067 0.000 0.950 461 S CB -0.320 62.848 63.200 -0.054 0.000 0.784 461 S HN -0.472 7.808 8.310 -0.021 0.017 0.504 462 M N 2.807 122.357 119.600 -0.083 0.000 2.175 462 M HA -0.387 nan 4.480 nan 0.000 0.264 462 M C 1.285 177.540 176.300 -0.075 0.000 1.063 462 M CA 4.074 59.321 55.300 -0.089 0.000 1.119 462 M CB -0.065 32.506 32.600 -0.048 0.000 1.377 462 M HN -0.139 8.003 8.290 -0.051 0.117 0.415 463 R N -0.571 119.898 120.500 -0.051 0.000 2.075 463 R HA -0.314 nan 4.340 nan 0.000 0.230 463 R C 2.853 179.125 176.300 -0.047 0.000 1.140 463 R CA 3.501 59.578 56.100 -0.038 0.000 0.928 463 R CB -0.261 30.024 30.300 -0.024 0.000 0.834 463 R HN -0.298 7.947 8.270 -0.042 0.000 0.429 464 L N -0.881 120.313 121.223 -0.050 0.000 2.263 464 L HA -0.267 nan 4.340 nan 0.000 0.216 464 L C 1.839 178.660 176.870 -0.082 0.000 1.111 464 L CA 2.984 57.794 54.840 -0.050 0.000 0.773 464 L CB -0.594 41.442 42.059 -0.038 0.000 0.906 464 L HN -0.461 7.742 8.230 -0.045 0.000 0.439 465 L N -3.581 117.561 121.223 -0.135 0.000 2.509 465 L HA 0.063 nan 4.340 nan 0.000 0.222 465 L C 0.559 177.360 176.870 -0.116 0.000 1.123 465 L CA 0.482 55.205 54.840 -0.195 0.000 0.856 465 L CB 0.329 42.192 42.059 -0.326 0.000 0.985 465 L HN -0.195 7.807 8.230 -0.132 0.149 0.456 466 G N -1.569 107.186 108.800 -0.076 0.000 2.137 466 G HA2 -0.417 nan 3.960 nan 0.000 0.237 466 G HA3 -0.417 nan 3.960 nan 0.000 0.237 466 G C -1.430 173.446 174.900 -0.040 0.000 1.002 466 G CA 0.522 45.595 45.100 -0.045 0.000 0.702 466 G HN 0.057 8.127 8.290 -0.076 0.175 0.515 467 V N -6.427 113.457 119.914 -0.049 0.000 3.126 467 V HA 0.744 nan 4.120 nan 0.000 0.314 467 V C -1.656 174.423 176.094 -0.026 0.000 1.138 467 V CA -2.528 59.751 62.300 -0.035 0.000 1.034 467 V CB 2.450 34.249 31.823 -0.040 0.000 1.075 467 V HN -0.406 7.747 8.190 -0.062 0.000 0.442 468 T N -5.725 108.821 114.554 -0.013 0.000 2.993 468 T HA 0.261 nan 4.350 nan 0.000 0.260 468 T C -0.871 173.830 174.700 0.001 0.000 0.939 468 T CA 0.214 62.310 62.100 -0.007 0.000 0.886 468 T CB 0.922 69.788 68.868 -0.003 0.000 1.209 468 T HN 0.147 8.770 8.240 -0.010 -0.389 0.518 469 S N 0.050 115.752 115.700 0.004 0.000 2.542 469 S HA 0.599 nan 4.470 nan 0.000 0.293 469 S C 1.200 175.808 174.600 0.013 0.000 1.089 469 S CA -1.568 56.640 58.200 0.013 0.000 0.961 469 S CB 3.120 66.330 63.200 0.018 0.000 1.062 469 S HN -0.576 7.833 8.310 0.001 -0.098 0.483 470 I N 3.158 123.739 120.570 0.019 0.000 2.236 470 I HA -0.512 nan 4.170 nan 0.000 0.249 470 I C 1.511 177.642 176.117 0.024 0.000 1.102 470 I CA 3.020 64.335 61.300 0.024 0.000 1.365 470 I CB -1.429 36.589 38.000 0.030 0.000 1.051 470 I HN 0.325 8.546 8.210 0.020 0.000 0.420 471 A N -1.950 120.885 122.820 0.024 0.000 2.070 471 A HA -0.231 nan 4.320 nan 0.000 0.220 471 A C 1.081 178.675 177.584 0.018 0.000 1.159 471 A CA 2.525 54.575 52.037 0.022 0.000 0.656 471 A CB -0.825 18.189 19.000 0.024 0.000 0.800 471 A HN 0.059 8.215 8.150 0.026 0.009 0.453 472 E N -2.803 117.405 120.200 0.013 0.000 2.358 472 E HA -0.120 nan 4.350 nan 0.000 0.195 472 E C -0.319 176.285 176.600 0.007 0.000 1.010 472 E CA 0.245 56.650 56.400 0.008 0.000 0.856 472 E CB 0.522 30.223 29.700 0.002 0.000 0.795 472 E HN -0.334 7.873 8.360 0.013 0.161 0.504 473 L N 1.007 122.236 121.223 0.010 0.000 2.515 473 L HA -0.167 nan 4.340 nan 0.000 0.281 473 L C -0.863 176.025 176.870 0.030 0.000 1.131 473 L CA 0.503 55.352 54.840 0.015 0.000 0.905 473 L CB -1.091 40.981 42.059 0.023 0.000 1.246 473 L HN -0.532 7.536 8.230 0.013 0.170 0.463 474 K N 3.661 124.081 120.400 0.033 0.000 2.352 474 K HA 0.448 nan 4.320 nan 0.000 0.240 474 K C -1.731 174.902 176.600 0.055 0.000 1.017 474 K CA -2.991 53.319 56.287 0.039 0.000 0.851 474 K CB 1.310 33.828 32.500 0.030 0.000 1.261 474 K HN -0.646 7.619 8.250 0.026 0.000 0.451 475 P HA -0.135 nan 4.420 nan 0.000 0.222 475 P C -0.017 177.326 177.300 0.072 0.000 1.153 475 P CA 2.220 65.362 63.100 0.070 0.000 0.798 475 P CB 0.153 31.888 31.700 0.058 0.000 0.796 476 D N -3.442 116.991 120.400 0.056 0.000 2.354 476 D HA -0.239 nan 4.640 nan 0.000 0.216 476 D C 1.123 177.464 176.300 0.068 0.000 0.970 476 D CA 2.157 56.189 54.000 0.054 0.000 0.905 476 D CB -1.179 39.644 40.800 0.039 0.000 0.903 476 D HN 0.234 8.612 8.370 0.047 0.020 0.508 477 L N -2.371 118.900 121.223 0.080 0.000 2.591 477 L HA 0.072 nan 4.340 nan 0.000 0.228 477 L C -0.978 176.011 176.870 0.198 0.000 1.133 477 L CA 0.024 54.924 54.840 0.100 0.000 0.880 477 L CB -0.948 41.142 42.059 0.051 0.000 1.033 477 L HN -0.621 7.606 8.230 0.075 0.048 0.450 478 L N -1.771 119.564 121.223 0.187 0.000 2.334 478 L HA 0.219 nan 4.340 nan 0.000 0.276 478 L C -1.630 175.327 176.870 0.145 0.000 1.014 478 L CA -1.588 53.381 54.840 0.216 0.000 0.815 478 L CB 2.088 44.251 42.059 0.172 0.000 1.268 478 L HN -0.021 8.123 8.230 0.134 0.167 0.428 479 D N 1.864 122.346 120.400 0.138 0.000 2.365 479 D HA 0.149 nan 4.640 nan 0.000 0.237 479 D C -0.257 176.091 176.300 0.080 0.000 1.190 479 D CA -0.453 53.610 54.000 0.105 0.000 0.867 479 D CB 0.514 41.389 40.800 0.125 0.000 1.050 479 D HN 0.390 8.730 8.370 0.145 0.117 0.491 480 L N 4.691 125.949 121.223 0.058 0.000 2.728 480 L HA 0.281 nan 4.340 nan 0.000 0.238 480 L C 0.939 177.826 176.870 0.028 0.000 1.143 480 L CA -0.656 54.211 54.840 0.045 0.000 0.937 480 L CB -0.328 41.756 42.059 0.041 0.000 1.225 480 L HN 0.332 8.594 8.230 0.053 0.000 0.507 481 S N 1.104 116.816 115.700 0.019 0.000 2.419 481 S HA -0.203 nan 4.470 nan 0.000 0.233 481 S C 0.644 175.241 174.600 -0.005 0.000 1.016 481 S CA 2.601 60.802 58.200 0.002 0.000 0.974 481 S CB 0.051 63.245 63.200 -0.011 0.000 0.786 481 S HN -0.508 8.018 8.310 0.023 -0.202 0.492 482 T N -3.603 110.950 114.554 -0.003 0.000 3.269 482 T HA 0.373 nan 4.350 nan 0.000 0.269 482 T C 0.894 175.604 174.700 0.017 0.000 0.993 482 T CA -1.642 60.456 62.100 -0.004 0.000 0.909 482 T CB 0.259 69.109 68.868 -0.030 0.000 1.115 482 T HN -0.341 7.894 8.240 0.004 0.007 0.543 483 L N 2.704 123.939 121.223 0.019 0.000 2.012 483 L HA -0.322 nan 4.340 nan 0.000 0.210 483 L C -0.229 176.646 176.870 0.008 0.000 1.073 483 L CA 3.151 58.001 54.840 0.016 0.000 0.748 483 L CB 0.099 42.164 42.059 0.011 0.000 0.891 483 L HN -0.172 7.898 8.230 0.017 0.170 0.431 484 K N -4.573 115.831 120.400 0.006 0.000 2.504 484 K HA -0.041 nan 4.320 nan 0.000 0.199 484 K C -0.437 176.166 176.600 0.006 0.000 1.028 484 K CA -1.410 54.880 56.287 0.005 0.000 1.164 484 K CB -1.144 31.360 32.500 0.005 0.000 0.877 484 K HN -0.085 8.169 8.250 0.007 0.000 0.508 485 A N 0.843 123.667 122.820 0.006 0.000 3.126 485 A HA 0.156 nan 4.320 nan 0.000 0.268 485 A C -1.191 176.399 177.584 0.009 0.000 1.605 485 A CA -0.906 51.134 52.037 0.005 0.000 1.305 485 A CB -0.751 18.250 19.000 0.001 0.000 1.160 485 A HN -0.488 7.607 8.150 0.009 0.060 0.609 486 R N 3.975 124.481 120.500 0.010 0.000 2.408 486 R HA 0.171 nan 4.340 nan 0.000 0.308 486 R C -0.878 175.432 176.300 0.018 0.000 1.210 486 R CA -0.167 55.941 56.100 0.014 0.000 1.115 486 R CB -0.777 29.532 30.300 0.015 0.000 1.127 486 R HN -0.413 7.795 8.270 0.010 0.067 0.523 487 T N 1.660 116.223 114.554 0.015 0.000 2.944 487 T HA 0.210 nan 4.350 nan 0.000 0.284 487 T C -0.577 174.136 174.700 0.022 0.000 1.010 487 T CA -0.758 61.351 62.100 0.015 0.000 1.025 487 T CB 1.195 70.067 68.868 0.008 0.000 1.079 487 T HN -0.241 8.007 8.240 0.014 0.000 0.516 488 V N 1.663 121.590 119.914 0.022 0.000 2.482 488 V HA 0.338 nan 4.120 nan 0.000 0.295 488 V C 0.799 176.901 176.094 0.014 0.000 1.026 488 V CA -0.202 62.114 62.300 0.026 0.000 0.856 488 V CB 1.144 32.989 31.823 0.037 0.000 1.001 488 V HN 0.384 8.584 8.190 0.017 0.000 0.424 489 G N 3.512 112.317 108.800 0.010 0.000 2.502 489 G HA2 0.424 nan 3.960 nan 0.000 0.305 489 G HA3 0.424 nan 3.960 nan 0.000 0.305 489 G C -0.664 174.235 174.900 -0.002 0.000 1.190 489 G CA -0.744 44.356 45.100 -0.000 0.000 0.933 489 G HN 0.509 8.806 8.290 0.013 0.000 0.503 490 V N -1.156 118.751 119.914 -0.011 0.000 2.811 490 V HA 0.309 nan 4.120 nan 0.000 0.302 490 V C -1.668 174.420 176.094 -0.009 0.000 1.063 490 V CA -1.876 60.418 62.300 -0.011 0.000 1.088 490 V CB 0.705 32.517 31.823 -0.019 0.000 0.982 490 V HN 0.503 8.684 8.190 -0.016 0.000 0.485 491 P HA 0.054 nan 4.420 nan 0.000 0.264 491 P C -1.804 175.494 177.300 -0.003 0.000 1.193 491 P CA -0.066 63.036 63.100 0.002 0.000 0.763 491 P CB 0.505 32.208 31.700 0.006 0.000 0.810 492 N N 2.566 121.266 118.700 -0.000 0.000 2.287 492 N HA -0.061 nan 4.740 nan 0.000 0.289 492 N C -1.138 174.380 175.510 0.013 0.000 1.066 492 N CA 0.014 53.060 53.050 -0.006 0.000 0.841 492 N CB 2.677 41.145 38.487 -0.031 0.000 1.599 492 N HN -0.014 8.370 8.380 0.006 0.000 0.476 493 D N 3.866 124.273 120.400 0.013 0.000 3.137 493 D HA -0.336 nan 4.640 nan 0.000 0.196 493 D C 1.275 177.627 176.300 0.087 0.000 1.270 493 D CA 0.715 54.738 54.000 0.040 0.000 0.716 493 D CB 0.375 41.177 40.800 0.004 0.000 0.891 493 D HN 0.492 8.864 8.370 0.003 0.000 0.396 494 V N 1.347 121.303 119.914 0.069 0.000 2.490 494 V HA -0.252 nan 4.120 nan 0.000 0.250 494 V C 0.511 176.657 176.094 0.087 0.000 1.061 494 V CA 2.486 64.829 62.300 0.071 0.000 1.064 494 V CB 0.188 32.040 31.823 0.048 0.000 0.670 494 V HN 0.156 8.376 8.190 0.050 0.000 0.461 495 L N -1.556 119.724 121.223 0.095 0.000 2.354 495 L HA -0.049 nan 4.340 nan 0.000 0.212 495 L C 1.407 178.346 176.870 0.114 0.000 1.091 495 L CA 2.405 57.295 54.840 0.084 0.000 0.828 495 L CB -0.789 41.309 42.059 0.065 0.000 0.973 495 L HN -0.503 7.782 8.230 0.092 0.000 0.461 496 Y N 1.175 121.493 120.300 0.030 0.000 2.114 496 Y HA -0.610 nan 4.550 nan 0.000 0.284 496 Y C 1.332 177.274 175.900 0.070 0.000 1.143 496 Y CA 4.611 62.734 58.100 0.038 0.000 1.135 496 Y CB 0.068 38.535 38.460 0.011 0.000 0.980 496 Y HN -0.642 7.966 8.280 0.254 -0.176 0.499 497 N N -2.235 116.645 118.700 0.300 0.000 2.142 497 N HA -0.372 nan 4.740 nan 0.000 0.186 497 N C 2.041 177.631 175.510 0.135 0.000 1.023 497 N CA 2.459 55.645 53.050 0.225 0.000 0.852 497 N CB -0.201 38.395 38.487 0.181 0.000 0.998 497 N HN -0.221 8.340 8.380 0.301 0.000 0.424 498 E N -0.256 119.998 120.200 0.089 0.000 2.086 498 E HA -0.257 nan 4.350 nan 0.000 0.200 498 E C 1.975 178.587 176.600 0.020 0.000 1.012 498 E CA 2.481 58.911 56.400 0.049 0.000 0.812 498 E CB 0.093 29.816 29.700 0.037 0.000 0.743 498 E HN -0.135 8.170 8.360 0.099 0.114 0.453 499 V N -6.490 113.421 119.914 -0.005 0.000 3.052 499 V HA 0.000 nan 4.120 nan 0.000 0.254 499 V C 0.854 176.912 176.094 -0.060 0.000 1.100 499 V CA 0.704 62.978 62.300 -0.044 0.000 1.112 499 V CB 0.052 31.837 31.823 -0.064 0.000 0.738 499 V HN -0.670 7.517 8.190 -0.005 0.000 0.469 500 Y N 2.738 122.937 120.300 -0.168 0.000 2.805 500 Y HA -0.283 nan 4.550 nan 0.000 0.331 500 Y C -0.547 175.312 175.900 -0.069 0.000 1.241 500 Y CA 1.070 59.078 58.100 -0.154 0.000 1.546 500 Y CB 0.386 38.773 38.460 -0.122 0.000 1.248 500 Y HN -0.580 7.634 8.280 0.050 0.096 0.559 501 E N 6.797 126.469 120.200 -0.881 0.000 2.191 501 E HA 0.180 nan 4.350 nan 0.000 0.278 501 E C -0.680 175.318 176.600 -1.004 0.000 0.972 501 E CA -0.757 55.226 56.400 -0.696 0.000 0.804 501 E CB 1.495 30.957 29.700 -0.396 0.000 1.110 501 E HN 0.316 8.188 8.360 -0.813 0.000 0.394 502 G N 3.066 111.571 108.800 -0.493 0.000 2.599 502 G HA2 0.092 nan 3.960 nan 0.000 0.264 502 G HA3 0.092 nan 3.960 nan 0.000 0.264 502 G C -1.664 173.153 174.900 -0.138 0.000 1.200 502 G CA -0.941 44.026 45.100 -0.221 0.000 0.896 502 G HN 0.106 8.219 8.290 -0.296 0.000 0.536 503 P HA 0.176 nan 4.420 nan 0.000 0.270 503 P C -0.773 176.517 177.300 -0.016 0.000 1.227 503 P CA 0.462 63.554 63.100 -0.013 0.000 0.788 503 P CB 0.555 32.269 31.700 0.023 0.000 0.926 504 T N -2.757 111.786 114.554 -0.019 0.000 2.896 504 T HA 0.513 nan 4.350 nan 0.000 0.297 504 T C -0.117 174.570 174.700 -0.022 0.000 1.108 504 T CA -0.907 61.180 62.100 -0.020 0.000 1.004 504 T CB 1.525 70.376 68.868 -0.029 0.000 1.159 504 T HN 0.073 8.302 8.240 -0.018 0.000 0.499 505 L N -0.071 121.138 121.223 -0.023 0.000 2.488 505 L HA 0.318 nan 4.340 nan 0.000 0.249 505 L C -0.017 176.820 176.870 -0.055 0.000 1.151 505 L CA -0.711 54.106 54.840 -0.037 0.000 0.806 505 L CB 0.877 42.916 42.059 -0.033 0.000 1.261 505 L HN -0.127 8.092 8.230 -0.018 0.000 0.484 506 T N 1.148 115.651 114.554 -0.086 0.000 2.856 506 T HA 0.137 nan 4.350 nan 0.000 0.292 506 T C -0.577 174.028 174.700 -0.158 0.000 0.980 506 T CA -0.357 61.677 62.100 -0.109 0.000 1.091 506 T CB 0.323 69.116 68.868 -0.124 0.000 0.936 506 T HN -0.085 8.099 8.240 -0.093 0.000 0.503 507 E N 3.696 123.829 120.200 -0.112 0.000 2.283 507 E HA 0.103 nan 4.350 nan 0.000 0.267 507 E C -0.549 175.975 176.600 -0.127 0.000 1.045 507 E CA -0.638 55.715 56.400 -0.078 0.000 0.884 507 E CB 0.880 30.587 29.700 0.012 0.000 1.106 507 E HN 0.124 8.436 8.360 -0.081 0.000 0.408 508 F N -0.216 119.731 119.950 -0.006 0.000 2.496 508 F HA -0.031 nan 4.527 nan 0.000 0.344 508 F C 1.332 177.128 175.800 -0.006 0.000 1.155 508 F CA 0.908 58.905 58.000 -0.006 0.000 1.302 508 F CB 0.770 39.767 39.000 -0.006 0.000 1.159 508 F HN 0.105 8.546 8.300 0.234 0.000 0.595 509 E N -0.130 120.181 120.200 0.185 0.000 2.463 509 E HA -0.264 nan 4.350 nan 0.000 0.201 509 E C -0.366 176.284 176.600 0.083 0.000 1.045 509 E CA 1.298 57.757 56.400 0.099 0.000 0.872 509 E CB 0.086 29.833 29.700 0.077 0.000 0.797 509 E HN 0.445 8.930 8.360 0.209 0.000 0.538 510 D N -2.330 118.133 120.400 0.105 0.000 2.971 510 D HA 0.317 nan 4.640 nan 0.000 0.221 510 D C -0.765 175.567 176.300 0.054 0.000 1.406 510 D CA 1.090 55.124 54.000 0.056 0.000 1.328 510 D CB 1.417 nan 40.800 nan 0.000 1.369 510 D HN -0.108 8.269 8.370 0.171 0.095 0.364 511 A N 0.000 122.849 122.820 0.049 0.000 2.254 511 A HA 0.000 nan 4.320 nan 0.000 0.244 511 A CA 0.000 52.050 52.037 0.022 0.000 0.836 511 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 511 A HN 0.000 8.161 8.150 0.018 0.000 0.486