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 2oge_1_A DATA FIRST_RESID 8 DATA SEQUENCE PRVPFLDLKA AYEELRAETD AAIARVLDSG RYLLGPELEG FEAEFAAYCE DATA SEQUENCE TDHAVGVNSG MDALQLALRG LGIGPGDEVI VPSHTYIASW LAVSATGATP DATA SEQUENCE VPVEPHEDHP TLDPLLVEKA ITPRTRALLP VHLYGHPADM DALRELADRH DATA SEQUENCE GLHIVEDAAQ AHGARYRGRR IGAGSSVAAF SFYPGXNLGC FGDGGAVVTG DATA SEQUENCE DPELAERLRM LRNYGSRQKY SHETKGTNSR LDEMQAAVLR IRLAHLDSWN DATA SEQUENCE GRRSALAAEY LSGLAGLPGI GLPVTAPDTD PVWHLFTVRT ERRDELRSHL DATA SEQUENCE DARGIDTLTH YPVPVHLSPA YAGEAPPEGS LPRAESFARQ VLSLPIGPHL DATA SEQUENCE ERPQALRVID AVREWAER 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 8 P HA 0.000 nan 4.420 nan 0.000 0.216 8 P C 0.000 177.301 177.300 0.002 0.000 1.155 8 P CA 0.000 63.100 63.100 -0.001 0.000 0.800 8 P CB 0.000 31.698 31.700 -0.003 0.000 0.726 9 R N 0.186 120.690 120.500 0.006 0.000 2.583 9 R HA 0.650 4.987 4.340 -0.005 0.000 0.268 9 R C -0.281 176.029 176.300 0.018 0.000 1.101 9 R CA -0.860 55.247 56.100 0.012 0.000 1.180 9 R CB 1.008 31.318 30.300 0.017 0.000 1.128 9 R HN 0.163 nan 8.270 nan 0.000 0.568 10 V N 4.003 123.934 119.914 0.028 0.000 2.333 10 V HA 0.220 4.337 4.120 -0.005 0.000 0.274 10 V C -1.937 174.194 176.094 0.062 0.000 1.028 10 V CA -1.834 60.487 62.300 0.036 0.000 0.851 10 V CB 1.005 32.852 31.823 0.040 0.000 1.000 10 V HN 0.676 nan 8.190 nan 0.000 0.456 11 P HA 0.184 nan 4.420 nan 0.000 0.277 11 P C 0.520 177.899 177.300 0.132 0.000 1.240 11 P CA -0.401 62.756 63.100 0.095 0.000 0.798 11 P CB 1.160 32.900 31.700 0.067 0.000 0.979 12 F N 2.252 122.222 119.950 0.033 0.000 2.146 12 F HA 0.116 4.638 4.527 -0.008 0.000 0.298 12 F C 0.640 176.469 175.800 0.049 0.000 1.096 12 F CA 1.288 59.314 58.000 0.043 0.000 1.275 12 F CB 0.097 39.127 39.000 0.050 0.000 1.008 12 F HN 0.187 nan 8.300 nan 0.000 0.480 13 L N 0.778 122.034 121.223 0.054 0.000 2.845 13 L HA 0.235 4.572 4.340 -0.005 0.000 0.253 13 L C -1.590 175.322 176.870 0.071 0.000 0.959 13 L CA -0.543 54.288 54.840 -0.014 0.000 1.001 13 L CB 0.454 42.491 42.059 -0.036 0.000 1.374 13 L HN -0.153 nan 8.230 nan 0.000 0.469 14 D N 4.559 124.983 120.400 0.040 0.000 2.359 14 D HA 0.195 4.832 4.640 -0.005 0.000 0.250 14 D C 1.113 177.426 176.300 0.022 0.000 1.264 14 D CA 0.105 54.123 54.000 0.031 0.000 0.911 14 D CB 0.798 41.598 40.800 -0.000 0.000 1.056 14 D HN 0.645 nan 8.370 nan 0.000 0.499 15 L N 3.311 124.567 121.223 0.055 0.000 2.056 15 L HA -0.147 4.190 4.340 -0.005 0.000 0.207 15 L C 2.265 179.182 176.870 0.077 0.000 1.078 15 L CA 0.760 55.644 54.840 0.074 0.000 0.749 15 L CB -0.392 41.722 42.059 0.091 0.000 0.901 15 L HN 0.308 nan 8.230 nan 0.000 0.433 16 K N 1.118 121.556 120.400 0.063 0.000 2.074 16 K HA -0.181 4.136 4.320 -0.005 0.000 0.209 16 K C 1.996 178.602 176.600 0.010 0.000 1.048 16 K CA 1.710 58.049 56.287 0.086 0.000 0.926 16 K CB -0.405 32.130 32.500 0.059 0.000 0.713 16 K HN 0.240 nan 8.250 nan 0.000 0.444 17 A N 0.141 122.874 122.820 -0.146 0.000 2.019 17 A HA -0.040 4.277 4.320 -0.005 0.000 0.219 17 A C 2.278 179.439 177.584 -0.706 0.000 1.164 17 A CA 1.878 53.678 52.037 -0.396 0.000 0.644 17 A CB -0.824 17.906 19.000 -0.449 0.000 0.805 17 A HN 0.440 nan 8.150 nan 0.000 0.449 18 A N -1.646 120.888 122.820 -0.477 0.000 1.968 18 A HA 0.035 4.353 4.320 -0.005 0.000 0.217 18 A C 2.064 179.758 177.584 0.184 0.000 1.169 18 A CA 1.464 53.388 52.037 -0.188 0.000 0.638 18 A CB -0.585 18.519 19.000 0.174 0.000 0.812 18 A HN 0.701 nan 8.150 nan 0.000 0.446 19 Y N 0.677 121.022 120.300 0.074 0.000 2.176 19 Y HA -0.047 4.500 4.550 -0.006 0.000 0.291 19 Y C 2.176 178.107 175.900 0.052 0.000 1.122 19 Y CA 1.909 60.110 58.100 0.169 0.000 1.128 19 Y CB -0.656 37.901 38.460 0.162 0.000 1.005 19 Y HN 0.354 nan 8.280 nan 0.000 0.509 20 E N 0.860 120.935 120.200 -0.207 0.000 2.097 20 E HA -0.274 4.074 4.350 -0.005 0.000 0.196 20 E C 2.194 178.669 176.600 -0.208 0.000 1.000 20 E CA 1.852 58.058 56.400 -0.323 0.000 0.804 20 E CB -0.417 29.162 29.700 -0.202 0.000 0.740 20 E HN 0.688 nan 8.360 nan 0.000 0.454 21 E N -0.425 119.702 120.200 -0.122 0.000 2.204 21 E HA -0.143 4.204 4.350 -0.005 0.000 0.195 21 E C 0.665 177.273 176.600 0.013 0.000 0.990 21 E CA 1.015 57.409 56.400 -0.009 0.000 0.821 21 E CB 0.049 29.816 29.700 0.111 0.000 0.750 21 E HN 0.356 nan 8.360 nan 0.000 0.477 22 L N 0.364 121.588 121.223 0.003 0.000 3.218 22 L HA 0.353 4.691 4.340 -0.005 0.000 0.279 22 L C 1.613 178.461 176.870 -0.036 0.000 1.287 22 L CA -0.485 54.350 54.840 -0.008 0.000 1.024 22 L CB 0.237 42.284 42.059 -0.021 0.000 1.409 22 L HN -0.019 nan 8.230 nan 0.000 0.580 23 R N 1.860 122.239 120.500 -0.203 0.000 2.143 23 R HA -0.284 4.054 4.340 -0.005 0.000 0.239 23 R C 2.267 178.517 176.300 -0.083 0.000 1.126 23 R CA 2.538 58.425 56.100 -0.356 0.000 0.927 23 R CB -0.172 29.828 30.300 -0.501 0.000 0.860 23 R HN 0.472 nan 8.270 nan 0.000 0.433 24 A N 0.640 123.425 122.820 -0.058 0.000 1.873 24 A HA -0.241 4.077 4.320 -0.005 0.000 0.218 24 A C 2.041 179.645 177.584 0.034 0.000 1.193 24 A CA 1.981 54.016 52.037 -0.004 0.000 0.629 24 A CB -0.695 18.301 19.000 -0.007 0.000 0.826 24 A HN 0.619 nan 8.150 nan 0.000 0.447 25 E N -1.108 119.115 120.200 0.037 0.000 2.085 25 E HA -0.140 4.207 4.350 -0.005 0.000 0.194 25 E C 2.165 178.812 176.600 0.079 0.000 0.994 25 E CA 1.669 58.100 56.400 0.053 0.000 0.801 25 E CB -0.259 29.471 29.700 0.050 0.000 0.743 25 E HN 0.654 nan 8.360 nan 0.000 0.453 26 T N 1.115 115.742 114.554 0.122 0.000 2.674 26 T HA -0.147 4.200 4.350 -0.005 0.000 0.265 26 T C 1.269 176.076 174.700 0.177 0.000 1.039 26 T CA 1.445 63.668 62.100 0.204 0.000 1.150 26 T CB -0.336 68.772 68.868 0.401 0.000 0.864 26 T HN 0.104 nan 8.240 nan 0.000 0.427 27 D N 1.431 121.938 120.400 0.178 0.000 2.123 27 D HA -0.048 4.590 4.640 -0.005 0.000 0.196 27 D C 2.344 178.688 176.300 0.073 0.000 0.992 27 D CA 1.330 55.402 54.000 0.121 0.000 0.833 27 D CB -0.543 40.320 40.800 0.106 0.000 0.954 27 D HN 0.408 nan 8.370 nan 0.000 0.455 28 A N 0.939 123.797 122.820 0.064 0.000 1.902 28 A HA -0.035 4.282 4.320 -0.005 0.000 0.217 28 A C 2.317 179.929 177.584 0.047 0.000 1.181 28 A CA 2.240 54.306 52.037 0.047 0.000 0.623 28 A CB -0.727 18.296 19.000 0.038 0.000 0.818 28 A HN 0.239 nan 8.150 nan 0.000 0.443 29 A N -0.022 122.830 122.820 0.054 0.000 1.902 29 A HA -0.089 4.228 4.320 -0.005 0.000 0.217 29 A C 2.127 179.741 177.584 0.049 0.000 1.181 29 A CA 1.536 53.600 52.037 0.046 0.000 0.623 29 A CB -0.608 18.417 19.000 0.042 0.000 0.818 29 A HN 0.497 nan 8.150 nan 0.000 0.443 30 I N -0.247 120.356 120.570 0.056 0.000 2.179 30 I HA -0.293 3.874 4.170 -0.005 0.000 0.242 30 I C 2.986 179.132 176.117 0.048 0.000 1.088 30 I CA 1.079 62.409 61.300 0.049 0.000 1.357 30 I CB -0.370 37.647 38.000 0.030 0.000 1.051 30 I HN 0.363 nan 8.210 nan 0.000 0.409 31 A N 0.746 123.591 122.820 0.042 0.000 1.940 31 A HA -0.272 4.046 4.320 -0.005 0.000 0.219 31 A C 2.431 180.044 177.584 0.049 0.000 1.176 31 A CA 1.957 54.018 52.037 0.040 0.000 0.631 31 A CB -0.700 18.320 19.000 0.033 0.000 0.814 31 A HN 0.399 nan 8.150 nan 0.000 0.446 32 R N -0.415 120.112 120.500 0.045 0.000 2.073 32 R HA -0.094 4.244 4.340 -0.005 0.000 0.234 32 R C 1.903 178.233 176.300 0.051 0.000 1.134 32 R CA 1.841 57.965 56.100 0.040 0.000 0.952 32 R CB -0.452 29.866 30.300 0.031 0.000 0.850 32 R HN 0.280 nan 8.270 nan 0.000 0.433 33 V N 1.573 121.528 119.914 0.069 0.000 2.343 33 V HA -0.253 3.864 4.120 -0.005 0.000 0.247 33 V C 2.419 178.633 176.094 0.200 0.000 1.051 33 V CA 1.723 64.084 62.300 0.102 0.000 1.036 33 V CB -0.432 31.462 31.823 0.119 0.000 0.654 33 V HN 0.327 nan 8.190 nan 0.000 0.451 34 L N -0.208 121.133 121.223 0.196 0.000 2.013 34 L HA -0.239 4.098 4.340 -0.005 0.000 0.212 34 L C 2.345 179.356 176.870 0.235 0.000 1.073 34 L CA 1.850 56.843 54.840 0.255 0.000 0.753 34 L CB -0.755 41.367 42.059 0.106 0.000 0.890 34 L HN 0.310 nan 8.230 nan 0.000 0.432 35 D N -0.772 119.698 120.400 0.117 0.000 2.264 35 D HA -0.128 4.509 4.640 -0.005 0.000 0.208 35 D C 2.382 178.701 176.300 0.031 0.000 0.966 35 D CA 1.388 55.430 54.000 0.070 0.000 0.864 35 D CB 0.015 40.840 40.800 0.042 0.000 0.933 35 D HN 0.366 nan 8.370 nan 0.000 0.499 36 S N -0.476 115.222 115.700 -0.002 0.000 2.402 36 S HA -0.024 4.444 4.470 -0.005 0.000 0.229 36 S C 1.942 176.432 174.600 -0.185 0.000 1.021 36 S CA 1.464 59.612 58.200 -0.088 0.000 0.974 36 S CB -0.272 62.861 63.200 -0.113 0.000 0.800 36 S HN 0.303 nan 8.310 nan 0.000 0.484 37 G N 0.717 109.337 108.800 -0.301 0.000 2.162 37 G HA2 -0.296 3.661 3.960 -0.005 0.000 0.260 37 G HA3 -0.296 3.661 3.960 -0.005 0.000 0.260 37 G C 0.093 174.528 174.900 -0.773 0.000 0.976 37 G CA 0.375 45.230 45.100 -0.408 0.000 0.655 37 G HN 0.841 nan 8.290 nan 0.000 0.533 38 R N -0.383 119.573 120.500 -0.907 0.000 2.371 38 R HA 0.673 5.011 4.340 -0.005 0.000 0.312 38 R C 0.332 176.223 176.300 -0.682 0.000 0.980 38 R CA -1.017 54.715 56.100 -0.614 0.000 0.867 38 R CB 0.212 30.347 30.300 -0.273 0.000 1.163 38 R HN 0.245 nan 8.270 nan 0.000 0.492 39 Y N 3.134 123.441 120.300 0.012 0.000 2.442 39 Y HA 0.381 4.928 4.550 -0.004 0.000 0.250 39 Y C 0.163 176.074 175.900 0.017 0.000 1.113 39 Y CA -0.306 57.801 58.100 0.013 0.000 1.273 39 Y CB 0.897 39.364 38.460 0.012 0.000 1.138 39 Y HN 0.150 nan 8.280 nan 0.000 0.522 40 L N 0.270 121.550 121.223 0.095 0.000 2.409 40 L HA 0.369 4.706 4.340 -0.005 0.000 0.262 40 L C -0.489 176.408 176.870 0.044 0.000 0.992 40 L CA -1.106 53.783 54.840 0.081 0.000 0.817 40 L CB 2.539 44.656 42.059 0.096 0.000 1.350 40 L HN 0.016 nan 8.230 nan 0.000 0.411 41 L N 1.748 123.001 121.223 0.050 0.000 3.762 41 L HA -0.256 4.081 4.340 -0.005 0.000 0.460 41 L C 0.519 177.402 176.870 0.021 0.000 1.255 41 L CA 0.466 55.331 54.840 0.042 0.000 0.783 41 L CB -1.779 40.305 42.059 0.041 0.000 1.600 41 L HN 0.902 nan 8.230 nan 0.000 0.862 42 G N -0.318 108.493 108.800 0.018 0.000 2.971 42 G HA2 0.633 4.591 3.960 -0.005 0.000 0.235 42 G HA3 0.633 4.591 3.960 -0.005 0.000 0.235 42 G C -1.826 173.083 174.900 0.014 0.000 1.351 42 G CA -0.069 45.031 45.100 -0.002 0.000 1.039 42 G HN 0.091 nan 8.290 nan 0.000 0.563 43 P HA 0.026 nan 4.420 nan 0.000 0.222 43 P C 1.285 178.604 177.300 0.032 0.000 1.153 43 P CA 0.847 63.957 63.100 0.015 0.000 0.798 43 P CB 0.321 32.023 31.700 0.003 0.000 0.796 44 E N -0.070 120.147 120.200 0.029 0.000 2.072 44 E HA -0.125 4.222 4.350 -0.005 0.000 0.191 44 E C 2.019 178.668 176.600 0.082 0.000 0.985 44 E CA 0.718 57.143 56.400 0.042 0.000 0.801 44 E CB -1.062 28.650 29.700 0.020 0.000 0.750 44 E HN 0.209 nan 8.360 nan 0.000 0.452 45 L N 1.664 122.934 121.223 0.078 0.000 2.056 45 L HA -0.130 4.207 4.340 -0.005 0.000 0.207 45 L C 2.027 178.983 176.870 0.144 0.000 1.078 45 L CA 1.770 56.684 54.840 0.124 0.000 0.749 45 L CB -0.243 41.874 42.059 0.097 0.000 0.901 45 L HN 0.011 nan 8.230 nan 0.000 0.433 46 E N -0.622 119.634 120.200 0.094 0.000 2.047 46 E HA -0.152 4.195 4.350 -0.005 0.000 0.191 46 E C 2.056 178.700 176.600 0.072 0.000 0.987 46 E CA 0.963 57.409 56.400 0.077 0.000 0.799 46 E CB -0.472 29.258 29.700 0.050 0.000 0.752 46 E HN 0.683 nan 8.360 nan 0.000 0.449 47 G N 0.855 109.700 108.800 0.075 0.000 2.418 47 G HA2 -0.282 3.675 3.960 -0.005 0.000 0.217 47 G HA3 -0.282 3.675 3.960 -0.005 0.000 0.217 47 G C 1.353 176.302 174.900 0.082 0.000 1.158 47 G CA 0.512 45.651 45.100 0.065 0.000 0.771 47 G HN 0.223 nan 8.290 nan 0.000 0.545 48 F N 1.669 121.612 119.950 -0.012 0.000 2.102 48 F HA -0.022 4.503 4.527 -0.004 0.000 0.298 48 F C 2.634 178.460 175.800 0.044 0.000 1.105 48 F CA 2.015 59.995 58.000 -0.033 0.000 1.239 48 F CB -0.379 38.556 39.000 -0.109 0.000 0.991 48 F HN 0.271 nan 8.300 nan 0.000 0.474 49 E N 0.231 120.405 120.200 -0.043 0.000 2.058 49 E HA -0.248 4.099 4.350 -0.005 0.000 0.194 49 E C 2.388 178.938 176.600 -0.083 0.000 0.997 49 E CA 1.291 57.655 56.400 -0.059 0.000 0.801 49 E CB -0.529 29.226 29.700 0.092 0.000 0.746 49 E HN 0.502 nan 8.360 nan 0.000 0.450 50 A N 1.380 124.174 122.820 -0.043 0.000 1.865 50 A HA -0.278 4.039 4.320 -0.005 0.000 0.217 50 A C 1.964 179.500 177.584 -0.082 0.000 1.191 50 A CA 1.851 53.862 52.037 -0.043 0.000 0.623 50 A CB -0.552 18.438 19.000 -0.017 0.000 0.826 50 A HN 0.194 nan 8.150 nan 0.000 0.444 51 E N -1.535 118.604 120.200 -0.102 0.000 2.077 51 E HA -0.169 4.178 4.350 -0.005 0.000 0.193 51 E C 1.786 178.308 176.600 -0.131 0.000 0.989 51 E CA 1.320 57.661 56.400 -0.099 0.000 0.800 51 E CB -0.284 29.378 29.700 -0.063 0.000 0.746 51 E HN 0.638 nan 8.360 nan 0.000 0.452 52 F N 1.382 121.014 119.950 -0.530 0.000 2.186 52 F HA -0.098 4.426 4.527 -0.005 0.000 0.299 52 F C 2.166 177.836 175.800 -0.216 0.000 1.090 52 F CA 1.131 58.816 58.000 -0.526 0.000 1.307 52 F CB -0.409 37.978 39.000 -1.022 0.000 1.019 52 F HN -0.049 nan 8.300 nan 0.000 0.489 53 A N 0.244 122.939 122.820 -0.208 0.000 1.877 53 A HA -0.069 4.249 4.320 -0.005 0.000 0.216 53 A C 2.444 179.913 177.584 -0.191 0.000 1.186 53 A CA 1.882 53.802 52.037 -0.195 0.000 0.620 53 A CB -1.537 17.405 19.000 -0.096 0.000 0.822 53 A HN 0.436 nan 8.150 nan 0.000 0.443 54 A N -1.697 121.042 122.820 -0.135 0.000 1.933 54 A HA -0.109 4.209 4.320 -0.005 0.000 0.218 54 A C 2.133 179.653 177.584 -0.106 0.000 1.175 54 A CA 1.633 53.607 52.037 -0.104 0.000 0.628 54 A CB -0.813 18.148 19.000 -0.066 0.000 0.814 54 A HN 0.727 nan 8.150 nan 0.000 0.444 55 Y N 0.166 120.322 120.300 -0.241 0.000 2.165 55 Y HA -0.261 4.287 4.550 -0.005 0.000 0.286 55 Y C 2.153 177.885 175.900 -0.280 0.000 1.155 55 Y CA 1.785 59.743 58.100 -0.237 0.000 1.164 55 Y CB -0.469 37.847 38.460 -0.240 0.000 0.978 55 Y HN 0.347 nan 8.280 nan 0.000 0.513 56 C N 1.379 120.482 119.300 -0.328 0.000 2.573 56 C HA 0.079 4.536 4.460 -0.005 0.000 0.273 56 C C 0.628 175.490 174.990 -0.214 0.000 1.346 56 C CA 0.599 59.421 59.018 -0.327 0.000 1.702 56 C CB -2.015 25.491 27.740 -0.391 0.000 1.751 56 C HN 0.623 nan 8.230 nan 0.000 0.583 57 E N 0.226 120.305 120.200 -0.201 0.000 2.513 57 E HA -0.205 4.142 4.350 -0.005 0.000 0.257 57 E C 0.236 176.771 176.600 -0.109 0.000 1.098 57 E CA 0.779 57.094 56.400 -0.142 0.000 0.752 57 E CB -1.399 28.225 29.700 -0.127 0.000 1.324 57 E HN 0.666 nan 8.360 nan 0.000 0.403 58 T N -2.141 112.340 114.554 -0.121 0.000 2.804 58 T HA 0.221 4.569 4.350 -0.005 0.000 0.290 58 T C 0.118 174.730 174.700 -0.146 0.000 1.099 58 T CA -0.475 61.565 62.100 -0.100 0.000 1.011 58 T CB 1.668 70.504 68.868 -0.054 0.000 1.291 58 T HN 0.021 nan 8.240 nan 0.000 0.523 59 D N -0.359 119.920 120.400 -0.201 0.000 2.216 59 D HA 0.064 4.701 4.640 -0.005 0.000 0.208 59 D C 0.043 175.979 176.300 -0.607 0.000 0.960 59 D CA 0.963 54.693 54.000 -0.449 0.000 0.861 59 D CB 0.220 40.622 40.800 -0.664 0.000 0.985 59 D HN 0.470 nan 8.370 nan 0.000 0.493 60 H N -0.853 118.222 119.070 0.008 0.000 2.768 60 H HA 0.620 5.173 4.556 -0.005 0.000 0.371 60 H C -0.884 174.476 175.328 0.054 0.000 1.151 60 H CA -0.740 55.324 56.048 0.028 0.000 1.165 60 H CB 2.219 32.004 29.762 0.038 0.000 1.722 60 H HN -0.115 nan 8.280 nan 0.000 0.543 61 A N 2.241 125.182 122.820 0.201 0.000 2.335 61 A HA 0.534 4.851 4.320 -0.005 0.000 0.304 61 A C -0.787 176.929 177.584 0.219 0.000 1.118 61 A CA -0.639 51.531 52.037 0.222 0.000 0.757 61 A CB 1.048 20.175 19.000 0.211 0.000 1.188 61 A HN 0.354 nan 8.150 nan 0.000 0.460 62 V N 2.853 122.906 119.914 0.231 0.000 2.304 62 V HA 0.523 4.640 4.120 -0.005 0.000 0.278 62 V C 0.954 177.181 176.094 0.222 0.000 1.018 62 V CA -0.284 62.128 62.300 0.186 0.000 0.814 62 V CB 1.200 33.099 31.823 0.127 0.000 1.021 62 V HN 1.106 nan 8.190 nan 0.000 0.440 63 G N 3.821 112.767 108.800 0.243 0.000 2.378 63 G HA2 0.514 4.471 3.960 -0.005 0.000 0.255 63 G HA3 0.514 4.471 3.960 -0.005 0.000 0.255 63 G C -0.142 174.870 174.900 0.186 0.000 1.270 63 G CA 0.228 45.496 45.100 0.280 0.000 0.876 63 G HN 0.932 nan 8.290 nan 0.000 0.521 64 V N 0.447 120.465 119.914 0.174 0.000 3.105 64 V HA 0.573 4.690 4.120 -0.005 0.000 0.311 64 V C 1.129 177.286 176.094 0.104 0.000 1.282 64 V CA -0.778 61.587 62.300 0.108 0.000 1.065 64 V CB 1.596 33.463 31.823 0.074 0.000 1.136 64 V HN 0.521 nan 8.190 nan 0.000 0.469 65 N N 0.363 119.104 118.700 0.069 0.000 2.409 65 N HA 0.107 4.844 4.740 -0.005 0.000 0.179 65 N C 0.343 175.896 175.510 0.071 0.000 1.032 65 N CA 1.086 54.177 53.050 0.068 0.000 0.898 65 N CB 0.140 38.655 38.487 0.047 0.000 0.971 65 N HN 1.179 nan 8.380 nan 0.000 0.441 66 S N -4.180 111.550 115.700 0.049 0.000 2.615 66 S HA 0.455 4.922 4.470 -0.005 0.000 0.268 66 S C 0.881 175.482 174.600 0.000 0.000 1.146 66 S CA -0.498 57.727 58.200 0.041 0.000 0.818 66 S CB 0.646 63.880 63.200 0.057 0.000 1.111 66 S HN 0.016 nan 8.310 nan 0.000 0.465 67 G N 0.493 109.287 108.800 -0.011 0.000 2.432 67 G HA2 -0.111 3.846 3.960 -0.005 0.000 0.219 67 G HA3 -0.111 3.846 3.960 -0.005 0.000 0.219 67 G C 1.152 176.041 174.900 -0.019 0.000 1.135 67 G CA 0.932 46.009 45.100 -0.038 0.000 0.767 67 G HN 0.645 nan 8.290 nan 0.000 0.550 68 M N 0.387 119.989 119.600 0.004 0.000 2.086 68 M HA -0.072 4.405 4.480 -0.005 0.000 0.261 68 M C 1.945 178.240 176.300 -0.009 0.000 1.067 68 M CA 1.608 56.906 55.300 -0.002 0.000 1.116 68 M CB -0.228 32.374 32.600 0.003 0.000 1.348 68 M HN 0.096 nan 8.290 nan 0.000 0.407 69 D N 0.504 120.903 120.400 -0.001 0.000 2.144 69 D HA -0.078 4.560 4.640 -0.005 0.000 0.199 69 D C 1.875 178.172 176.300 -0.005 0.000 0.984 69 D CA 1.405 55.403 54.000 -0.004 0.000 0.834 69 D CB -0.281 40.521 40.800 0.002 0.000 0.955 69 D HN 0.390 nan 8.370 nan 0.000 0.465 70 A N 0.718 123.536 122.820 -0.003 0.000 1.873 70 A HA -0.188 4.129 4.320 -0.005 0.000 0.218 70 A C 2.350 179.924 177.584 -0.017 0.000 1.193 70 A CA 1.226 53.264 52.037 0.003 0.000 0.629 70 A CB -0.913 18.088 19.000 0.001 0.000 0.826 70 A HN 0.233 nan 8.150 nan 0.000 0.447 71 L N -1.118 120.084 121.223 -0.036 0.000 2.017 71 L HA -0.236 4.102 4.340 -0.005 0.000 0.208 71 L C 2.945 179.791 176.870 -0.041 0.000 1.073 71 L CA 1.855 56.665 54.840 -0.050 0.000 0.745 71 L CB -0.510 41.515 42.059 -0.058 0.000 0.894 71 L HN 0.591 nan 8.230 nan 0.000 0.432 72 Q N 0.293 120.074 119.800 -0.031 0.000 2.050 72 Q HA -0.197 4.141 4.340 -0.005 0.000 0.202 72 Q C 2.342 178.324 176.000 -0.030 0.000 0.980 72 Q CA 1.460 57.246 55.803 -0.028 0.000 0.840 72 Q CB -0.009 28.716 28.738 -0.021 0.000 0.898 72 Q HN 0.520 nan 8.270 nan 0.000 0.424 73 L N 0.010 121.219 121.223 -0.023 0.000 2.141 73 L HA -0.105 4.232 4.340 -0.005 0.000 0.209 73 L C 2.534 179.386 176.870 -0.030 0.000 1.094 73 L CA 0.770 55.596 54.840 -0.022 0.000 0.763 73 L CB -0.636 41.417 42.059 -0.010 0.000 0.908 73 L HN 0.265 nan 8.230 nan 0.000 0.437 74 A N 0.623 123.425 122.820 -0.031 0.000 1.873 74 A HA -0.139 4.178 4.320 -0.005 0.000 0.215 74 A C 2.248 179.788 177.584 -0.074 0.000 1.186 74 A CA 1.281 53.292 52.037 -0.043 0.000 0.616 74 A CB -0.625 18.353 19.000 -0.037 0.000 0.823 74 A HN 0.327 nan 8.150 nan 0.000 0.442 75 L N -1.183 119.998 121.223 -0.069 0.000 2.046 75 L HA -0.157 4.180 4.340 -0.005 0.000 0.208 75 L C 2.788 179.609 176.870 -0.082 0.000 1.077 75 L CA 1.667 56.458 54.840 -0.082 0.000 0.747 75 L CB -0.474 41.547 42.059 -0.064 0.000 0.896 75 L HN 0.398 nan 8.230 nan 0.000 0.432 76 R N 0.268 120.732 120.500 -0.059 0.000 2.073 76 R HA -0.142 4.195 4.340 -0.005 0.000 0.234 76 R C 2.262 178.527 176.300 -0.058 0.000 1.134 76 R CA 1.529 57.599 56.100 -0.049 0.000 0.952 76 R CB -0.589 29.691 30.300 -0.034 0.000 0.850 76 R HN 0.411 nan 8.270 nan 0.000 0.433 77 G N 0.341 109.104 108.800 -0.061 0.000 2.498 77 G HA2 -0.173 3.784 3.960 -0.005 0.000 0.219 77 G HA3 -0.173 3.784 3.960 -0.005 0.000 0.219 77 G C 1.164 176.004 174.900 -0.100 0.000 1.119 77 G CA 0.378 45.440 45.100 -0.064 0.000 0.766 77 G HN 0.260 nan 8.290 nan 0.000 0.552 78 L N 0.168 121.299 121.223 -0.154 0.000 2.653 78 L HA 0.295 4.632 4.340 -0.005 0.000 0.231 78 L C 1.861 178.613 176.870 -0.197 0.000 1.153 78 L CA 0.266 54.937 54.840 -0.280 0.000 0.933 78 L CB 0.103 41.849 42.059 -0.522 0.000 1.175 78 L HN 0.292 nan 8.230 nan 0.000 0.473 79 G N 1.014 109.753 108.800 -0.100 0.000 2.153 79 G HA2 -0.300 3.657 3.960 -0.005 0.000 0.252 79 G HA3 -0.300 3.657 3.960 -0.005 0.000 0.252 79 G C 0.083 174.962 174.900 -0.035 0.000 0.994 79 G CA -0.097 44.973 45.100 -0.049 0.000 0.698 79 G HN 0.248 nan 8.290 nan 0.000 0.521 80 I N 1.007 121.547 120.570 -0.051 0.000 2.529 80 I HA 0.601 4.768 4.170 -0.005 0.000 0.284 80 I C 1.140 177.241 176.117 -0.026 0.000 1.082 80 I CA 1.549 62.831 61.300 -0.031 0.000 1.406 80 I CB 1.405 39.381 38.000 -0.041 0.000 1.405 80 I HN 0.379 nan 8.210 nan 0.000 0.548 81 G N 5.494 114.284 108.800 -0.018 0.000 2.570 81 G HA2 0.458 4.415 3.960 -0.005 0.000 0.310 81 G HA3 0.458 4.415 3.960 -0.005 0.000 0.310 81 G C -3.115 171.778 174.900 -0.013 0.000 1.266 81 G CA -0.829 44.262 45.100 -0.015 0.000 0.825 81 G HN 0.256 nan 8.290 nan 0.000 0.483 82 P HA 0.249 nan 4.420 nan 0.000 0.263 82 P C 1.016 178.310 177.300 -0.009 0.000 1.175 82 P CA 1.988 65.083 63.100 -0.008 0.000 0.761 82 P CB 0.765 32.462 31.700 -0.006 0.000 0.794 83 G N 1.506 110.299 108.800 -0.011 0.000 2.225 83 G HA2 -0.187 3.770 3.960 -0.005 0.000 0.254 83 G HA3 -0.187 3.770 3.960 -0.005 0.000 0.254 83 G C -0.067 174.824 174.900 -0.016 0.000 0.988 83 G CA -0.103 44.990 45.100 -0.011 0.000 0.625 83 G HN 0.534 nan 8.290 nan 0.000 0.527 84 D N 0.909 121.298 120.400 -0.018 0.000 2.294 84 D HA 0.560 5.197 4.640 -0.005 0.000 0.250 84 D C 0.326 176.602 176.300 -0.039 0.000 1.058 84 D CA -0.019 53.967 54.000 -0.022 0.000 0.950 84 D CB 1.120 41.911 40.800 -0.015 0.000 1.158 84 D HN 0.486 nan 8.370 nan 0.000 0.453 85 E N 0.026 120.197 120.200 -0.048 0.000 2.199 85 E HA 0.501 4.848 4.350 -0.005 0.000 0.269 85 E C -1.076 175.472 176.600 -0.087 0.000 0.899 85 E CA -0.878 55.476 56.400 -0.077 0.000 0.772 85 E CB 2.412 32.063 29.700 -0.081 0.000 1.155 85 E HN 0.030 nan 8.360 nan 0.000 0.408 86 V N 4.213 124.052 119.914 -0.125 0.000 2.483 86 V HA 0.324 4.442 4.120 -0.005 0.000 0.297 86 V C -0.148 175.830 176.094 -0.193 0.000 1.027 86 V CA -0.683 61.536 62.300 -0.134 0.000 0.855 86 V CB 1.359 33.103 31.823 -0.131 0.000 0.995 86 V HN 0.640 nan 8.190 nan 0.000 0.424 87 I N 5.786 126.253 120.570 -0.172 0.000 2.471 87 I HA 0.319 4.486 4.170 -0.005 0.000 0.286 87 I C 0.184 176.161 176.117 -0.233 0.000 1.079 87 I CA 0.268 61.446 61.300 -0.204 0.000 1.398 87 I CB 1.182 39.086 38.000 -0.161 0.000 1.403 87 I HN 0.593 nan 8.210 nan 0.000 0.530 88 V N 4.923 124.644 119.914 -0.321 0.000 3.046 88 V HA 0.734 4.851 4.120 -0.005 0.000 0.316 88 V C -2.806 173.152 176.094 -0.227 0.000 1.104 88 V CA -2.602 59.499 62.300 -0.331 0.000 1.006 88 V CB 1.670 33.132 31.823 -0.601 0.000 1.058 88 V HN 0.426 nan 8.190 nan 0.000 0.440 89 P HA 0.325 nan 4.420 nan 0.000 0.284 89 P C 0.673 178.072 177.300 0.166 0.000 1.253 89 P CA -0.127 62.978 63.100 0.008 0.000 0.800 89 P CB 1.457 33.154 31.700 -0.005 0.000 0.961 90 S N 1.017 116.804 115.700 0.146 0.000 2.428 90 S HA -0.138 4.330 4.470 -0.005 0.000 0.230 90 S C 0.697 175.432 174.600 0.225 0.000 1.014 90 S CA 0.901 59.243 58.200 0.236 0.000 0.957 90 S CB -0.953 62.301 63.200 0.091 0.000 0.784 90 S HN 0.626 nan 8.310 nan 0.000 0.499 91 H N 0.739 119.839 119.070 0.049 0.000 2.661 91 H HA 0.672 5.224 4.556 -0.005 0.000 0.290 91 H C -0.282 174.998 175.328 -0.080 0.000 1.082 91 H CA 0.392 56.416 56.048 -0.039 0.000 1.234 91 H CB 0.736 30.414 29.762 -0.141 0.000 1.387 91 H HN 0.227 nan 8.280 nan 0.000 0.476 92 T N 3.158 117.482 114.554 -0.383 0.000 2.654 92 T HA 0.115 4.463 4.350 -0.005 0.000 0.303 92 T C -1.981 172.489 174.700 -0.383 0.000 1.656 92 T CA -0.732 61.166 62.100 -0.338 0.000 0.971 92 T CB -0.111 68.675 68.868 -0.136 0.000 1.811 92 T HN 0.362 nan 8.240 nan 0.000 0.483 93 Y N 2.074 122.042 120.300 -0.552 0.000 2.304 93 Y HA 0.493 5.040 4.550 -0.004 0.000 0.328 93 Y C 1.540 177.137 175.900 -0.504 0.000 1.123 93 Y CA -0.788 56.778 58.100 -0.891 0.000 1.218 93 Y CB 0.414 38.493 38.460 -0.635 0.000 1.207 93 Y HN 0.700 nan 8.280 nan 0.000 0.495 94 I N 4.545 124.507 120.570 -1.012 0.000 2.300 94 I HA -0.372 3.795 4.170 -0.005 0.000 0.252 94 I C 1.992 177.763 176.117 -0.577 0.000 1.119 94 I CA 2.084 62.912 61.300 -0.787 0.000 1.384 94 I CB -0.249 37.371 38.000 -0.634 0.000 1.062 94 I HN 0.901 nan 8.210 nan 0.000 0.426 95 A N -0.330 121.966 122.820 -0.874 0.000 1.986 95 A HA -0.258 4.059 4.320 -0.005 0.000 0.220 95 A C 2.366 179.876 177.584 -0.123 0.000 1.171 95 A CA 2.285 54.096 52.037 -0.378 0.000 0.640 95 A CB -0.913 17.960 19.000 -0.212 0.000 0.811 95 A HN 0.549 nan 8.150 nan 0.000 0.451 96 S N -1.442 114.205 115.700 -0.088 0.000 2.370 96 S HA -0.196 4.271 4.470 -0.005 0.000 0.226 96 S C 1.541 176.216 174.600 0.124 0.000 1.033 96 S CA 1.545 59.760 58.200 0.025 0.000 1.011 96 S CB -0.422 62.813 63.200 0.057 0.000 0.852 96 S HN 0.831 nan 8.310 nan 0.000 0.457 97 W N 1.630 122.817 121.300 -0.188 0.000 2.453 97 W HA 0.258 4.916 4.660 -0.004 0.000 0.289 97 W C 1.927 178.445 176.519 -0.001 0.000 1.215 97 W CA -0.352 56.900 57.345 -0.155 0.000 1.297 97 W CB -1.205 28.046 29.460 -0.349 0.000 1.113 97 W HN 0.222 nan 8.180 nan 0.000 0.551 98 L N 0.382 121.758 121.223 0.255 0.000 2.043 98 L HA -0.258 4.079 4.340 -0.005 0.000 0.212 98 L C 2.586 179.505 176.870 0.082 0.000 1.075 98 L CA 1.676 56.613 54.840 0.162 0.000 0.752 98 L CB -1.421 40.656 42.059 0.030 0.000 0.891 98 L HN -0.035 nan 8.230 nan 0.000 0.432 99 A N -0.507 122.336 122.820 0.038 0.000 1.972 99 A HA -0.129 4.188 4.320 -0.005 0.000 0.219 99 A C 2.338 179.922 177.584 0.000 0.000 1.169 99 A CA 1.794 53.834 52.037 0.005 0.000 0.635 99 A CB -0.692 18.297 19.000 -0.018 0.000 0.810 99 A HN 0.220 nan 8.150 nan 0.000 0.446 100 V N -0.535 119.382 119.914 0.005 0.000 2.323 100 V HA -0.173 3.944 4.120 -0.005 0.000 0.244 100 V C 2.752 178.853 176.094 0.012 0.000 1.041 100 V CA 2.150 64.437 62.300 -0.022 0.000 1.025 100 V CB -0.797 30.979 31.823 -0.077 0.000 0.656 100 V HN 0.547 nan 8.190 nan 0.000 0.451 101 S N 0.641 116.385 115.700 0.074 0.000 2.374 101 S HA -0.237 4.230 4.470 -0.005 0.000 0.227 101 S C 2.192 176.813 174.600 0.035 0.000 1.037 101 S CA 1.549 59.803 58.200 0.090 0.000 1.024 101 S CB -0.575 62.730 63.200 0.176 0.000 0.861 101 S HN 0.653 nan 8.310 nan 0.000 0.456 102 A N 1.258 124.092 122.820 0.024 0.000 2.024 102 A HA -0.117 4.201 4.320 -0.005 0.000 0.220 102 A C 2.290 179.871 177.584 -0.005 0.000 1.164 102 A CA 1.949 53.988 52.037 0.002 0.000 0.643 102 A CB -1.039 17.960 19.000 -0.003 0.000 0.806 102 A HN 0.648 nan 8.150 nan 0.000 0.451 103 T N -4.992 109.558 114.554 -0.007 0.000 3.100 103 T HA 0.396 4.744 4.350 -0.005 0.000 0.253 103 T C 1.457 176.151 174.700 -0.011 0.000 1.118 103 T CA 1.083 63.175 62.100 -0.013 0.000 1.058 103 T CB 0.169 69.023 68.868 -0.022 0.000 0.953 103 T HN 1.634 nan 8.240 nan 0.000 0.515 104 G N 1.051 109.848 108.800 -0.005 0.000 2.234 104 G HA2 -0.069 3.889 3.960 -0.005 0.000 0.235 104 G HA3 -0.069 3.889 3.960 -0.005 0.000 0.235 104 G C 0.428 175.324 174.900 -0.006 0.000 0.997 104 G CA -0.106 44.991 45.100 -0.004 0.000 0.623 104 G HN 1.138 nan 8.290 nan 0.000 0.514 105 A N -0.044 122.768 122.820 -0.014 0.000 2.327 105 A HA 0.703 5.020 4.320 -0.005 0.000 0.255 105 A C 0.601 178.168 177.584 -0.028 0.000 1.099 105 A CA 1.158 53.180 52.037 -0.025 0.000 0.801 105 A CB 0.362 19.340 19.000 -0.037 0.000 1.062 105 A HN 0.805 nan 8.150 nan 0.000 0.496 106 T N 2.846 117.371 114.554 -0.049 0.000 2.767 106 T HA 0.561 4.908 4.350 -0.005 0.000 0.284 106 T C -2.730 171.883 174.700 -0.145 0.000 0.973 106 T CA -0.889 61.170 62.100 -0.068 0.000 0.996 106 T CB 1.226 70.060 68.868 -0.058 0.000 0.927 106 T HN 0.472 nan 8.240 nan 0.000 0.456 107 P HA 0.442 nan 4.420 nan 0.000 0.292 107 P C -1.072 175.927 177.300 -0.501 0.000 1.287 107 P CA -0.577 62.264 63.100 -0.432 0.000 0.800 107 P CB 1.005 32.293 31.700 -0.686 0.000 0.945 108 V N 5.912 125.552 119.914 -0.456 0.000 2.376 108 V HA 0.311 4.429 4.120 -0.005 0.000 0.287 108 V C -2.194 173.652 176.094 -0.413 0.000 1.015 108 V CA -2.191 59.888 62.300 -0.370 0.000 0.834 108 V CB 1.693 33.380 31.823 -0.226 0.000 1.001 108 V HN 0.482 nan 8.190 nan 0.000 0.428 109 P HA 0.277 nan 4.420 nan 0.000 0.276 109 P C -0.808 176.401 177.300 -0.151 0.000 1.230 109 P CA -0.020 62.899 63.100 -0.302 0.000 0.776 109 P CB 1.402 33.025 31.700 -0.129 0.000 0.888 110 V N 3.449 123.301 119.914 -0.103 0.000 2.531 110 V HA 0.197 4.315 4.120 -0.005 0.000 0.301 110 V C 0.534 176.623 176.094 -0.008 0.000 1.034 110 V CA -0.816 61.447 62.300 -0.062 0.000 0.865 110 V CB 1.765 33.544 31.823 -0.074 0.000 0.995 110 V HN 0.482 nan 8.190 nan 0.000 0.424 111 E N 5.305 125.506 120.200 0.002 0.000 2.418 111 E HA 0.153 4.500 4.350 -0.005 0.000 0.261 111 E C -2.317 174.325 176.600 0.070 0.000 1.070 111 E CA -1.095 55.328 56.400 0.038 0.000 0.931 111 E CB 0.691 30.403 29.700 0.020 0.000 0.954 111 E HN 0.405 nan 8.360 nan 0.000 0.439 112 P HA 0.036 nan 4.420 nan 0.000 0.276 112 P C -0.145 177.259 177.300 0.173 0.000 1.261 112 P CA -0.249 62.950 63.100 0.165 0.000 0.800 112 P CB 0.499 32.329 31.700 0.218 0.000 1.066 113 H N 1.182 120.329 119.070 0.130 0.000 2.852 113 H HA -0.042 4.512 4.556 -0.005 0.000 0.362 113 H C 1.335 176.729 175.328 0.111 0.000 1.122 113 H CA 0.646 56.763 56.048 0.115 0.000 1.419 113 H CB 0.897 30.748 29.762 0.148 0.000 1.401 113 H HN 0.561 nan 8.280 nan 0.000 0.609 114 E N 1.909 121.900 120.200 -0.349 0.000 2.265 114 E HA -0.160 4.187 4.350 -0.005 0.000 0.196 114 E C 0.021 176.662 176.600 0.069 0.000 0.996 114 E CA 1.408 57.728 56.400 -0.133 0.000 0.832 114 E CB 0.236 29.809 29.700 -0.212 0.000 0.756 114 E HN 0.557 nan 8.360 nan 0.000 0.491 115 D N -0.837 119.798 120.400 0.391 0.000 2.479 115 D HA 0.085 4.722 4.640 -0.005 0.000 0.216 115 D C -0.207 176.310 176.300 0.362 0.000 1.110 115 D CA 0.155 54.364 54.000 0.348 0.000 0.841 115 D CB 0.449 41.447 40.800 0.331 0.000 1.040 115 D HN 0.206 nan 8.370 nan 0.000 0.505 116 H N 0.703 119.949 119.070 0.294 0.000 2.600 116 H HA 0.182 4.736 4.556 -0.004 0.000 0.357 116 H C -2.072 173.402 175.328 0.244 0.000 1.106 116 H CA -1.790 54.358 56.048 0.166 0.000 1.193 116 H CB 3.344 33.129 29.762 0.038 0.000 1.594 116 H HN -0.286 nan 8.280 nan 0.000 0.526 117 P HA -0.045 nan 4.420 nan 0.000 0.251 117 P C 0.239 177.570 177.300 0.050 0.000 1.251 117 P CA 0.302 63.474 63.100 0.121 0.000 0.763 117 P CB -0.263 31.433 31.700 -0.007 0.000 1.067 118 T N -3.173 111.464 114.554 0.139 0.000 2.952 118 T HA 0.400 4.748 4.350 -0.005 0.000 0.286 118 T C 0.035 174.831 174.700 0.159 0.000 1.024 118 T CA -1.284 60.903 62.100 0.145 0.000 1.029 118 T CB 0.659 69.666 68.868 0.232 0.000 1.094 118 T HN -0.237 nan 8.240 nan 0.000 0.515 119 L N 2.733 124.003 121.223 0.078 0.000 2.747 119 L HA 0.067 4.404 4.340 -0.005 0.000 0.286 119 L C 0.598 177.524 176.870 0.093 0.000 1.216 119 L CA 0.701 55.574 54.840 0.054 0.000 0.930 119 L CB -0.607 41.448 42.059 -0.007 0.000 1.216 119 L HN 0.772 nan 8.230 nan 0.000 0.486 120 D N 7.479 127.938 120.400 0.098 0.000 2.338 120 D HA 0.100 4.737 4.640 -0.005 0.000 0.255 120 D C -1.671 174.669 176.300 0.067 0.000 1.237 120 D CA -1.751 52.324 54.000 0.124 0.000 0.883 120 D CB 1.425 42.278 40.800 0.088 0.000 1.087 120 D HN 0.315 nan 8.370 nan 0.000 0.485 121 P HA -0.151 nan 4.420 nan 0.000 0.216 121 P C 1.625 178.937 177.300 0.020 0.000 1.150 121 P CA 0.416 63.534 63.100 0.031 0.000 0.837 121 P CB 0.361 32.082 31.700 0.034 0.000 0.786 122 L N -1.271 119.975 121.223 0.038 0.000 2.046 122 L HA -0.115 4.222 4.340 -0.005 0.000 0.208 122 L C 2.426 179.294 176.870 -0.003 0.000 1.077 122 L CA 1.663 56.514 54.840 0.019 0.000 0.747 122 L CB -1.716 40.358 42.059 0.026 0.000 0.896 122 L HN -0.042 nan 8.230 nan 0.000 0.432 123 L N -2.165 119.057 121.223 -0.003 0.000 2.291 123 L HA -0.102 4.235 4.340 -0.005 0.000 0.214 123 L C 2.348 179.193 176.870 -0.042 0.000 1.120 123 L CA 0.044 54.872 54.840 -0.020 0.000 0.799 123 L CB -0.425 41.626 42.059 -0.014 0.000 0.925 123 L HN 0.058 nan 8.230 nan 0.000 0.446 124 V N 0.239 120.126 119.914 -0.045 0.000 2.261 124 V HA -0.310 3.807 4.120 -0.005 0.000 0.246 124 V C 2.489 178.515 176.094 -0.112 0.000 1.047 124 V CA 2.067 64.320 62.300 -0.077 0.000 1.015 124 V CB -0.358 31.422 31.823 -0.072 0.000 0.642 124 V HN 0.485 nan 8.190 nan 0.000 0.446 125 E N 0.110 120.246 120.200 -0.106 0.000 2.114 125 E HA -0.286 4.061 4.350 -0.005 0.000 0.199 125 E C 2.204 178.727 176.600 -0.127 0.000 1.008 125 E CA 1.601 57.915 56.400 -0.143 0.000 0.810 125 E CB -0.018 29.644 29.700 -0.063 0.000 0.739 125 E HN 0.484 nan 8.360 nan 0.000 0.456 126 K N -0.396 119.957 120.400 -0.079 0.000 2.148 126 K HA -0.073 4.245 4.320 -0.005 0.000 0.204 126 K C 1.990 178.545 176.600 -0.075 0.000 1.050 126 K CA 1.021 57.270 56.287 -0.062 0.000 0.942 126 K CB -0.097 32.378 32.500 -0.042 0.000 0.724 126 K HN 0.178 nan 8.250 nan 0.000 0.446 127 A N 1.585 124.349 122.820 -0.092 0.000 2.119 127 A HA 0.064 4.382 4.320 -0.005 0.000 0.216 127 A C 1.200 178.716 177.584 -0.114 0.000 1.152 127 A CA 0.012 51.990 52.037 -0.098 0.000 0.708 127 A CB -0.303 18.634 19.000 -0.107 0.000 0.805 127 A HN 0.112 nan 8.150 nan 0.000 0.460 128 I N 1.659 122.140 120.570 -0.147 0.000 2.752 128 I HA 0.128 4.295 4.170 -0.005 0.000 0.287 128 I C 0.905 176.963 176.117 -0.098 0.000 1.188 128 I CA 0.650 61.850 61.300 -0.167 0.000 1.427 128 I CB 0.470 38.272 38.000 -0.329 0.000 1.365 128 I HN 0.405 nan 8.210 nan 0.000 0.585 129 T N 2.610 117.123 114.554 -0.069 0.000 2.812 129 T HA 0.425 4.772 4.350 -0.005 0.000 0.294 129 T C -2.317 172.374 174.700 -0.015 0.000 1.159 129 T CA -1.408 60.671 62.100 -0.036 0.000 1.008 129 T CB 1.879 70.724 68.868 -0.038 0.000 1.289 129 T HN 0.264 nan 8.240 nan 0.000 0.514 130 P HA 0.094 nan 4.420 nan 0.000 0.223 130 P C 1.016 178.313 177.300 -0.005 0.000 1.151 130 P CA 0.680 63.781 63.100 0.002 0.000 0.787 130 P CB 0.037 31.738 31.700 0.001 0.000 0.788 131 R N -1.079 119.412 120.500 -0.015 0.000 2.297 131 R HA 0.129 4.466 4.340 -0.005 0.000 0.197 131 R C 0.399 176.683 176.300 -0.025 0.000 0.943 131 R CA 0.316 56.404 56.100 -0.019 0.000 1.038 131 R CB -0.559 29.726 30.300 -0.024 0.000 0.957 131 R HN 0.139 nan 8.270 nan 0.000 0.484 132 T N 1.418 115.953 114.554 -0.031 0.000 2.870 132 T HA 0.157 4.505 4.350 -0.005 0.000 0.300 132 T C 1.113 175.801 174.700 -0.021 0.000 0.989 132 T CA 0.021 62.096 62.100 -0.042 0.000 1.139 132 T CB 1.247 70.076 68.868 -0.065 0.000 0.920 132 T HN 0.166 nan 8.240 nan 0.000 0.537 133 R N 0.705 121.198 120.500 -0.012 0.000 2.513 133 R HA 0.499 4.836 4.340 -0.005 0.000 0.245 133 R C 0.194 176.529 176.300 0.058 0.000 0.908 133 R CA -0.033 56.084 56.100 0.029 0.000 1.023 133 R CB 0.878 31.213 30.300 0.059 0.000 1.338 133 R HN 0.655 nan 8.270 nan 0.000 0.575 134 A N 1.000 123.827 122.820 0.012 0.000 2.608 134 A HA 0.619 4.936 4.320 -0.005 0.000 0.292 134 A C -1.537 176.020 177.584 -0.045 0.000 1.066 134 A CA -0.648 51.400 52.037 0.017 0.000 0.676 134 A CB 1.180 20.204 19.000 0.041 0.000 1.277 134 A HN 0.040 nan 8.150 nan 0.000 0.413 135 L N 1.033 122.229 121.223 -0.047 0.000 2.317 135 L HA 0.583 4.921 4.340 -0.005 0.000 0.281 135 L C -0.649 176.165 176.870 -0.095 0.000 1.024 135 L CA -0.500 54.291 54.840 -0.081 0.000 0.810 135 L CB 1.716 43.731 42.059 -0.073 0.000 1.240 135 L HN 0.676 nan 8.230 nan 0.000 0.427 136 L N 5.795 126.942 121.223 -0.128 0.000 2.581 136 L HA 0.406 4.744 4.340 -0.005 0.000 0.241 136 L C -2.267 174.500 176.870 -0.172 0.000 1.265 136 L CA -1.442 53.311 54.840 -0.146 0.000 0.954 136 L CB 1.154 43.123 42.059 -0.150 0.000 1.269 136 L HN 0.328 nan 8.230 nan 0.000 0.475 137 P HA 0.134 nan 4.420 nan 0.000 0.275 137 P C -0.850 176.229 177.300 -0.368 0.000 1.228 137 P CA -0.044 62.914 63.100 -0.237 0.000 0.786 137 P CB 1.750 33.306 31.700 -0.239 0.000 0.927 138 V N 3.776 123.485 119.914 -0.342 0.000 2.448 138 V HA 0.181 4.298 4.120 -0.005 0.000 0.295 138 V C 0.332 176.212 176.094 -0.357 0.000 1.025 138 V CA -0.584 61.498 62.300 -0.364 0.000 0.859 138 V CB 0.996 32.688 31.823 -0.217 0.000 0.988 138 V HN 0.549 nan 8.190 nan 0.000 0.431 139 H N 4.751 123.754 119.070 -0.111 0.000 2.855 139 H HA 0.246 4.800 4.556 -0.005 0.000 0.238 139 H C 0.017 175.293 175.328 -0.087 0.000 1.847 139 H CA -0.588 55.416 56.048 -0.073 0.000 1.368 139 H CB 0.488 30.213 29.762 -0.062 0.000 1.758 139 H HN 0.369 nan 8.280 nan 0.000 0.546 140 L N 2.516 123.679 121.223 -0.100 0.000 2.525 140 L HA -0.122 4.216 4.340 -0.005 0.000 0.278 140 L C 0.131 176.916 176.870 -0.141 0.000 1.218 140 L CA 0.445 55.108 54.840 -0.295 0.000 0.878 140 L CB -0.223 41.446 42.059 -0.650 0.000 1.127 140 L HN 0.499 nan 8.230 nan 0.000 0.492 141 Y N 2.321 122.695 120.300 0.124 0.000 4.851 141 Y HA -0.215 4.333 4.550 -0.003 0.000 0.235 141 Y C 1.496 177.496 175.900 0.167 0.000 0.998 141 Y CA 1.174 59.378 58.100 0.174 0.000 1.980 141 Y CB -2.175 36.367 38.460 0.137 0.000 1.561 141 Y HN 0.916 nan 8.280 nan 0.000 0.585 142 G N -1.462 107.467 108.800 0.215 0.000 2.159 142 G HA2 -0.255 3.702 3.960 -0.005 0.000 0.227 142 G HA3 -0.255 3.702 3.960 -0.005 0.000 0.227 142 G C -0.199 174.576 174.900 -0.207 0.000 0.986 142 G CA -0.018 45.107 45.100 0.041 0.000 0.651 142 G HN 0.672 nan 8.290 nan 0.000 0.523 143 H N 1.211 120.245 119.070 -0.060 0.000 2.594 143 H HA 0.334 4.887 4.556 -0.005 0.000 0.304 143 H C -2.462 172.935 175.328 0.114 0.000 1.068 143 H CA -1.422 54.599 56.048 -0.045 0.000 1.308 143 H CB 1.798 31.456 29.762 -0.174 0.000 1.409 143 H HN 0.122 nan 8.280 nan 0.000 0.460 144 P HA 0.086 nan 4.420 nan 0.000 0.276 144 P C -0.228 177.228 177.300 0.260 0.000 1.230 144 P CA -0.279 62.865 63.100 0.073 0.000 0.776 144 P CB 0.780 32.413 31.700 -0.112 0.000 0.888 145 A N 2.510 125.544 122.820 0.357 0.000 2.366 145 A HA 0.115 4.433 4.320 -0.005 0.000 0.250 145 A C 0.533 178.077 177.584 -0.065 0.000 1.099 145 A CA -0.107 52.036 52.037 0.176 0.000 0.794 145 A CB -0.233 18.840 19.000 0.123 0.000 1.056 145 A HN 0.477 nan 8.150 nan 0.000 0.499 146 D N 1.461 121.817 120.400 -0.073 0.000 2.545 146 D HA 0.103 4.741 4.640 -0.005 0.000 0.227 146 D C 1.158 177.312 176.300 -0.243 0.000 1.150 146 D CA -0.114 53.827 54.000 -0.098 0.000 1.046 146 D CB -0.154 40.637 40.800 -0.016 0.000 1.098 146 D HN 0.311 nan 8.370 nan 0.000 0.502 147 M N 1.185 120.352 119.600 -0.723 0.000 2.149 147 M HA -0.154 4.323 4.480 -0.005 0.000 0.261 147 M C 1.185 177.360 176.300 -0.210 0.000 1.064 147 M CA 1.208 56.173 55.300 -0.558 0.000 1.102 147 M CB -0.542 31.581 32.600 -0.795 0.000 1.369 147 M HN 0.247 nan 8.290 nan 0.000 0.408 148 D N 0.378 120.773 120.400 -0.009 0.000 2.117 148 D HA -0.053 4.585 4.640 -0.005 0.000 0.197 148 D C 2.029 178.359 176.300 0.051 0.000 0.987 148 D CA 1.660 55.730 54.000 0.116 0.000 0.829 148 D CB -0.132 40.796 40.800 0.213 0.000 0.961 148 D HN 0.342 nan 8.370 nan 0.000 0.460 149 A N 0.429 123.272 122.820 0.039 0.000 1.873 149 A HA -0.086 4.232 4.320 -0.005 0.000 0.215 149 A C 2.365 179.952 177.584 0.005 0.000 1.186 149 A CA 0.837 52.889 52.037 0.026 0.000 0.616 149 A CB -0.758 18.259 19.000 0.028 0.000 0.823 149 A HN 0.202 nan 8.150 nan 0.000 0.442 150 L N -1.186 120.023 121.223 -0.022 0.000 2.083 150 L HA -0.167 4.170 4.340 -0.005 0.000 0.209 150 L C 2.861 179.719 176.870 -0.021 0.000 1.083 150 L CA 1.371 56.192 54.840 -0.032 0.000 0.752 150 L CB -0.461 41.563 42.059 -0.058 0.000 0.899 150 L HN 0.343 nan 8.230 nan 0.000 0.433 151 R N -0.044 120.444 120.500 -0.020 0.000 2.075 151 R HA -0.197 4.141 4.340 -0.005 0.000 0.232 151 R C 2.255 178.561 176.300 0.010 0.000 1.126 151 R CA 1.532 57.629 56.100 -0.006 0.000 0.963 151 R CB -0.208 30.091 30.300 -0.001 0.000 0.858 151 R HN 0.424 nan 8.270 nan 0.000 0.435 152 E N 0.676 120.887 120.200 0.019 0.000 2.058 152 E HA -0.234 4.113 4.350 -0.005 0.000 0.194 152 E C 1.769 178.396 176.600 0.045 0.000 0.997 152 E CA 1.104 57.520 56.400 0.027 0.000 0.801 152 E CB -0.011 29.707 29.700 0.031 0.000 0.746 152 E HN 0.077 nan 8.360 nan 0.000 0.450 153 L N 1.128 122.383 121.223 0.054 0.000 2.012 153 L HA -0.124 4.214 4.340 -0.005 0.000 0.210 153 L C 2.540 179.496 176.870 0.143 0.000 1.073 153 L CA 2.141 57.045 54.840 0.107 0.000 0.748 153 L CB -1.282 40.792 42.059 0.025 0.000 0.891 153 L HN 0.321 nan 8.230 nan 0.000 0.431 154 A N -0.709 122.141 122.820 0.050 0.000 1.892 154 A HA -0.259 4.058 4.320 -0.005 0.000 0.218 154 A C 1.996 179.594 177.584 0.022 0.000 1.188 154 A CA 2.119 54.170 52.037 0.024 0.000 0.631 154 A CB -0.780 18.214 19.000 -0.010 0.000 0.822 154 A HN 0.488 nan 8.150 nan 0.000 0.447 155 D N -0.981 119.426 120.400 0.012 0.000 2.117 155 D HA -0.147 4.490 4.640 -0.005 0.000 0.197 155 D C 2.066 178.350 176.300 -0.027 0.000 0.987 155 D CA 1.432 55.424 54.000 -0.013 0.000 0.829 155 D CB -0.396 40.397 40.800 -0.011 0.000 0.961 155 D HN 0.573 nan 8.370 nan 0.000 0.460 156 R N 0.163 120.656 120.500 -0.012 0.000 2.148 156 R HA -0.080 4.257 4.340 -0.005 0.000 0.227 156 R C 1.139 177.272 176.300 -0.278 0.000 1.103 156 R CA 1.034 57.062 56.100 -0.121 0.000 0.983 156 R CB 0.023 30.256 30.300 -0.112 0.000 0.874 156 R HN 0.353 nan 8.270 nan 0.000 0.451 157 H N -1.338 117.705 119.070 -0.045 0.000 2.594 157 H HA 0.158 4.711 4.556 -0.004 0.000 0.279 157 H C 0.512 175.800 175.328 -0.066 0.000 1.042 157 H CA 0.447 56.466 56.048 -0.049 0.000 1.177 157 H CB 1.136 30.870 29.762 -0.046 0.000 1.524 157 H HN 0.476 nan 8.280 nan 0.000 0.537 158 G N 1.933 110.728 108.800 -0.007 0.000 2.273 158 G HA2 -0.274 3.683 3.960 -0.005 0.000 0.280 158 G HA3 -0.274 3.683 3.960 -0.005 0.000 0.280 158 G C 0.002 174.831 174.900 -0.119 0.000 1.047 158 G CA 0.196 45.254 45.100 -0.071 0.000 0.869 158 G HN 0.250 nan 8.290 nan 0.000 0.502 159 L N -0.137 121.027 121.223 -0.097 0.000 2.352 159 L HA 0.610 4.947 4.340 -0.005 0.000 0.269 159 L C 0.915 177.663 176.870 -0.202 0.000 1.034 159 L CA -1.414 53.351 54.840 -0.125 0.000 0.806 159 L CB 1.073 43.107 42.059 -0.041 0.000 1.244 159 L HN 0.153 nan 8.230 nan 0.000 0.447 160 H N 1.350 120.409 119.070 -0.018 0.000 2.499 160 H HA 0.549 5.102 4.556 -0.005 0.000 0.352 160 H C -0.725 174.582 175.328 -0.035 0.000 1.237 160 H CA -0.285 55.751 56.048 -0.021 0.000 1.343 160 H CB 2.134 31.882 29.762 -0.024 0.000 1.578 160 H HN 0.324 nan 8.280 nan 0.000 0.577 161 I N 1.628 122.268 120.570 0.117 0.000 2.497 161 I HA 0.102 4.269 4.170 -0.005 0.000 0.284 161 I C -0.717 175.404 176.117 0.006 0.000 1.060 161 I CA -0.468 60.848 61.300 0.027 0.000 1.071 161 I CB 1.899 39.897 38.000 -0.005 0.000 1.216 161 I HN 0.040 nan 8.210 nan 0.000 0.442 162 V N 6.116 126.010 119.914 -0.033 0.000 2.334 162 V HA 0.292 4.409 4.120 -0.005 0.000 0.281 162 V C -0.002 176.026 176.094 -0.111 0.000 1.016 162 V CA -0.582 61.681 62.300 -0.061 0.000 0.832 162 V CB 1.472 33.254 31.823 -0.068 0.000 0.999 162 V HN 0.657 nan 8.190 nan 0.000 0.439 163 E N 2.986 123.113 120.200 -0.122 0.000 2.283 163 E HA 0.238 4.585 4.350 -0.005 0.000 0.278 163 E C -0.623 175.812 176.600 -0.274 0.000 1.027 163 E CA -0.474 55.802 56.400 -0.208 0.000 0.843 163 E CB 1.201 30.842 29.700 -0.098 0.000 1.062 163 E HN 0.527 nan 8.360 nan 0.000 0.401 164 D N 2.368 122.564 120.400 -0.341 0.000 2.479 164 D HA 0.200 4.837 4.640 -0.005 0.000 0.218 164 D C -0.387 175.711 176.300 -0.338 0.000 1.131 164 D CA -0.325 53.493 54.000 -0.303 0.000 0.916 164 D CB 0.686 41.354 40.800 -0.220 0.000 1.022 164 D HN 0.486 nan 8.370 nan 0.000 0.515 165 A N 2.990 125.550 122.820 -0.433 0.000 2.460 165 A HA 0.436 4.753 4.320 -0.005 0.000 0.258 165 A C 1.811 179.118 177.584 -0.462 0.000 1.300 165 A CA 0.375 52.141 52.037 -0.452 0.000 0.913 165 A CB 0.051 18.519 19.000 -0.887 0.000 1.031 165 A HN 0.522 nan 8.150 nan 0.000 0.512 166 A N -0.120 122.516 122.820 -0.306 0.000 2.024 166 A HA -0.179 4.138 4.320 -0.005 0.000 0.220 166 A C 1.744 179.298 177.584 -0.050 0.000 1.164 166 A CA 1.565 53.514 52.037 -0.145 0.000 0.643 166 A CB -0.239 18.709 19.000 -0.086 0.000 0.806 166 A HN 0.614 nan 8.150 nan 0.000 0.451 167 Q N -1.861 117.890 119.800 -0.081 0.000 2.172 167 Q HA 0.460 4.797 4.340 -0.005 0.000 0.217 167 Q C 0.509 176.583 176.000 0.125 0.000 0.832 167 Q CA 0.368 56.110 55.803 -0.102 0.000 1.010 167 Q CB 0.662 29.380 28.738 -0.032 0.000 1.133 167 Q HN 0.540 nan 8.270 nan 0.000 0.489 168 A N -0.102 122.800 122.820 0.137 0.000 2.610 168 A HA 0.201 4.518 4.320 -0.005 0.000 0.291 168 A C -0.805 176.979 177.584 0.332 0.000 1.116 168 A CA -0.505 51.649 52.037 0.195 0.000 0.963 168 A CB -0.139 18.930 19.000 0.115 0.000 1.220 168 A HN 0.287 nan 8.150 nan 0.000 0.530 169 H N -0.047 119.301 119.070 0.464 0.000 3.187 169 H HA 0.317 4.871 4.556 -0.004 0.000 0.286 169 H C 1.567 177.159 175.328 0.440 0.000 0.944 169 H CA 1.784 58.157 56.048 0.543 0.000 1.429 169 H CB 0.157 30.188 29.762 0.449 0.000 1.483 169 H HN 0.701 nan 8.280 nan 0.000 0.555 170 G N 1.408 110.545 108.800 0.562 0.000 2.241 170 G HA2 -0.260 3.698 3.960 -0.005 0.000 0.244 170 G HA3 -0.260 3.698 3.960 -0.005 0.000 0.244 170 G C 0.697 175.708 174.900 0.185 0.000 0.998 170 G CA -0.075 45.287 45.100 0.436 0.000 0.621 170 G HN 0.957 nan 8.290 nan 0.000 0.519 171 A N 0.192 123.113 122.820 0.169 0.000 2.448 171 A HA 0.682 4.999 4.320 -0.005 0.000 0.239 171 A C 0.703 178.293 177.584 0.010 0.000 1.080 171 A CA 0.698 52.770 52.037 0.058 0.000 0.779 171 A CB 0.270 19.270 19.000 0.001 0.000 1.026 171 A HN 0.575 nan 8.150 nan 0.000 0.499 172 R N -0.549 119.948 120.500 -0.005 0.000 2.670 172 R HA 0.446 4.784 4.340 -0.005 0.000 0.289 172 R C -1.875 174.447 176.300 0.036 0.000 0.965 172 R CA -0.464 55.633 56.100 -0.004 0.000 0.899 172 R CB 1.915 32.201 30.300 -0.023 0.000 1.173 172 R HN 0.751 nan 8.270 nan 0.000 0.456 173 Y N 2.287 122.533 120.300 -0.090 0.000 2.338 173 Y HA 0.256 4.803 4.550 -0.005 0.000 0.328 173 Y C -0.051 175.813 175.900 -0.059 0.000 0.965 173 Y CA -0.590 57.461 58.100 -0.082 0.000 1.208 173 Y CB 0.858 39.256 38.460 -0.103 0.000 1.132 173 Y HN 0.701 nan 8.280 nan 0.000 0.469 174 R N 4.567 124.741 120.500 -0.543 0.000 3.525 174 R HA -0.232 4.105 4.340 -0.005 0.000 0.276 174 R C 1.014 177.196 176.300 -0.196 0.000 1.116 174 R CA 1.087 56.920 56.100 -0.444 0.000 0.745 174 R CB -1.646 28.297 30.300 -0.596 0.000 1.185 174 R HN 1.441 nan 8.270 nan 0.000 0.454 175 G N -0.530 108.193 108.800 -0.129 0.000 2.234 175 G HA2 -0.373 3.585 3.960 -0.005 0.000 0.260 175 G HA3 -0.373 3.585 3.960 -0.005 0.000 0.260 175 G C 0.167 175.031 174.900 -0.061 0.000 0.987 175 G CA 0.647 45.700 45.100 -0.079 0.000 0.625 175 G HN 0.419 nan 8.290 nan 0.000 0.532 176 R N 0.590 121.066 120.500 -0.041 0.000 2.474 176 R HA 0.559 4.896 4.340 -0.005 0.000 0.295 176 R C 0.490 176.774 176.300 -0.026 0.000 0.980 176 R CA -1.028 55.055 56.100 -0.029 0.000 0.934 176 R CB 0.930 31.233 30.300 0.003 0.000 1.101 176 R HN 0.091 nan 8.270 nan 0.000 0.469 177 R N 1.495 121.952 120.500 -0.072 0.000 2.756 177 R HA 0.076 4.414 4.340 -0.005 0.000 0.264 177 R C 0.462 176.748 176.300 -0.024 0.000 1.026 177 R CA -0.122 55.928 56.100 -0.083 0.000 1.121 177 R CB 0.346 30.539 30.300 -0.179 0.000 0.999 177 R HN 0.433 nan 8.270 nan 0.000 0.449 178 I N 1.651 122.224 120.570 0.005 0.000 2.517 178 I HA 0.032 4.199 4.170 -0.005 0.000 0.285 178 I C 1.518 177.713 176.117 0.130 0.000 1.106 178 I CA 1.053 62.361 61.300 0.013 0.000 1.402 178 I CB 0.212 38.196 38.000 -0.028 0.000 1.399 178 I HN 0.954 nan 8.210 nan 0.000 0.535 179 G N 4.932 113.791 108.800 0.098 0.000 2.179 179 G HA2 -0.136 3.821 3.960 -0.005 0.000 0.220 179 G HA3 -0.136 3.821 3.960 -0.005 0.000 0.220 179 G C 0.510 175.437 174.900 0.046 0.000 0.990 179 G CA -0.019 45.162 45.100 0.135 0.000 0.646 179 G HN 0.946 nan 8.290 nan 0.000 0.517 180 A N 0.178 123.003 122.820 0.008 0.000 2.425 180 A HA 0.723 5.040 4.320 -0.005 0.000 0.242 180 A C 2.137 179.720 177.584 -0.002 0.000 1.077 180 A CA 1.854 53.880 52.037 -0.020 0.000 0.781 180 A CB -0.115 18.868 19.000 -0.028 0.000 1.020 180 A HN 2.349 nan 8.150 nan 0.000 0.494 181 G N 0.919 109.710 108.800 -0.015 0.000 2.690 181 G HA2 -0.360 3.597 3.960 -0.005 0.000 0.334 181 G HA3 -0.360 3.597 3.960 -0.005 0.000 0.334 181 G C 1.398 176.309 174.900 0.017 0.000 1.250 181 G CA 2.069 47.167 45.100 -0.004 0.000 0.994 181 G HN 2.302 nan 8.290 nan 0.000 0.549 182 S N 0.244 115.959 115.700 0.025 0.000 2.631 182 S HA 0.511 4.978 4.470 -0.005 0.000 0.217 182 S C 1.041 175.668 174.600 0.045 0.000 0.958 182 S CA 1.015 59.238 58.200 0.038 0.000 0.920 182 S CB 0.043 63.264 63.200 0.034 0.000 0.776 182 S HN 0.899 nan 8.310 nan 0.000 0.517 183 S N 1.167 116.892 115.700 0.042 0.000 2.584 183 S HA 0.395 4.862 4.470 -0.005 0.000 0.270 183 S C -0.186 174.449 174.600 0.058 0.000 1.346 183 S CA -0.424 57.803 58.200 0.045 0.000 1.018 183 S CB 1.138 64.367 63.200 0.048 0.000 0.899 183 S HN 0.311 nan 8.310 nan 0.000 0.542 184 V N 1.974 121.917 119.914 0.047 0.000 2.357 184 V HA 0.660 4.777 4.120 -0.005 0.000 0.281 184 V C -0.147 175.958 176.094 0.018 0.000 1.015 184 V CA -0.480 61.846 62.300 0.044 0.000 0.827 184 V CB 0.746 32.584 31.823 0.025 0.000 1.018 184 V HN 0.940 nan 8.190 nan 0.000 0.432 185 A N 3.994 126.841 122.820 0.045 0.000 2.371 185 A HA 0.971 5.289 4.320 -0.005 0.000 0.311 185 A C -0.167 177.350 177.584 -0.110 0.000 1.068 185 A CA -0.331 51.664 52.037 -0.069 0.000 0.744 185 A CB 1.698 20.660 19.000 -0.063 0.000 1.239 185 A HN 1.173 nan 8.150 nan 0.000 0.435 186 A N 1.557 124.199 122.820 -0.297 0.000 2.305 186 A HA 0.865 5.182 4.320 -0.005 0.000 0.322 186 A C -0.992 176.275 177.584 -0.528 0.000 1.187 186 A CA -0.276 51.627 52.037 -0.223 0.000 0.825 186 A CB 0.246 19.163 19.000 -0.138 0.000 1.164 186 A HN 0.711 nan 8.150 nan 0.000 0.498 187 F N 0.437 120.319 119.950 -0.114 0.000 2.577 187 F HA 0.646 5.170 4.527 -0.005 0.000 0.318 187 F C 0.648 176.193 175.800 -0.425 0.000 1.065 187 F CA -0.394 57.446 58.000 -0.267 0.000 0.929 187 F CB 2.519 41.377 39.000 -0.237 0.000 1.237 187 F HN 0.505 nan 8.300 nan 0.000 0.468 188 S N 0.909 116.520 115.700 -0.149 0.000 2.503 188 S HA 0.616 5.083 4.470 -0.005 0.000 0.301 188 S C -0.710 173.785 174.600 -0.176 0.000 1.087 188 S CA -0.387 57.709 58.200 -0.173 0.000 1.042 188 S CB 0.503 63.718 63.200 0.026 0.000 1.043 188 S HN 0.439 nan 8.310 nan 0.000 0.489 189 F N 3.018 123.079 119.950 0.185 0.000 2.735 189 F HA 0.306 4.830 4.527 -0.005 0.000 0.304 189 F C 0.193 176.021 175.800 0.046 0.000 1.119 189 F CA -1.199 56.827 58.000 0.043 0.000 1.280 189 F CB -0.739 38.197 39.000 -0.107 0.000 0.994 189 F HN 0.683 nan 8.300 nan 0.000 0.520 190 Y N 3.902 124.271 120.300 0.116 0.000 2.788 190 Y HA 0.039 4.586 4.550 -0.005 0.000 0.341 190 Y C -1.282 174.671 175.900 0.088 0.000 1.258 190 Y CA -1.508 56.647 58.100 0.092 0.000 1.503 190 Y CB 0.608 39.120 38.460 0.085 0.000 1.325 190 Y HN -0.067 nan 8.280 nan 0.000 0.614 191 P HA -0.154 nan 4.420 nan 0.000 0.218 191 P C 0.308 177.536 177.300 -0.120 0.000 1.154 191 P CA 2.080 64.960 63.100 -0.367 0.000 0.872 191 P CB -0.128 31.336 31.700 -0.393 0.000 0.790 195 L N 1.650 122.689 121.223 -0.306 0.000 2.324 195 L HA 0.876 5.213 4.340 -0.005 0.000 0.274 195 L C -0.087 176.693 176.870 -0.150 0.000 1.012 195 L CA -0.410 54.255 54.840 -0.291 0.000 0.859 195 L CB 0.760 42.580 42.059 -0.397 0.000 1.224 195 L HN 0.175 nan 8.230 nan 0.000 0.429 196 G N 2.760 111.501 108.800 -0.099 0.000 2.630 196 G HA2 0.669 4.626 3.960 -0.005 0.000 0.296 196 G HA3 0.669 4.626 3.960 -0.005 0.000 0.296 196 G C -0.616 174.116 174.900 -0.280 0.000 1.285 196 G CA -0.130 44.921 45.100 -0.082 0.000 0.958 196 G HN 0.912 nan 8.290 nan 0.000 0.479 197 C N -2.604 116.514 119.300 -0.304 0.000 3.590 197 C HA 0.780 5.238 4.460 -0.005 0.000 0.338 197 C C 0.409 175.045 174.990 -0.589 0.000 3.308 197 C CA -0.917 57.780 59.018 -0.535 0.000 1.716 197 C CB -0.069 27.446 27.740 -0.374 0.000 3.622 197 C HN 0.527 nan 8.230 nan 0.000 0.515 198 F N 1.340 121.221 119.950 -0.115 0.000 2.850 198 F HA 0.597 5.120 4.527 -0.006 0.000 0.306 198 F C 1.098 176.834 175.800 -0.106 0.000 1.162 198 F CA 0.516 58.441 58.000 -0.125 0.000 1.327 198 F CB 0.316 39.228 39.000 -0.146 0.000 0.953 198 F HN 1.119 nan 8.300 nan 0.000 0.507 199 G N -1.081 107.727 108.800 0.013 0.000 2.428 199 G HA2 0.123 4.080 3.960 -0.005 0.000 0.305 199 G HA3 0.123 4.080 3.960 -0.005 0.000 0.305 199 G C -1.956 172.960 174.900 0.026 0.000 1.260 199 G CA -0.793 44.320 45.100 0.021 0.000 0.853 199 G HN -0.172 nan 8.290 nan 0.000 0.480 200 D N -0.056 120.389 120.400 0.074 0.000 2.313 200 D HA 0.594 5.231 4.640 -0.005 0.000 0.247 200 D C 0.410 176.783 176.300 0.121 0.000 1.094 200 D CA 1.021 55.099 54.000 0.130 0.000 0.925 200 D CB 1.605 42.488 40.800 0.138 0.000 1.188 200 D HN 0.883 nan 8.370 nan 0.000 0.430 201 G N -1.190 107.706 108.800 0.159 0.000 2.547 201 G HA2 0.589 4.546 3.960 -0.005 0.000 0.291 201 G HA3 0.589 4.546 3.960 -0.005 0.000 0.291 201 G C -1.020 173.955 174.900 0.125 0.000 1.471 201 G CA -0.260 44.963 45.100 0.206 0.000 0.798 201 G HN 0.646 nan 8.290 nan 0.000 0.504 202 G N -1.606 107.262 108.800 0.113 0.000 2.550 202 G HA2 1.001 4.958 3.960 -0.005 0.000 0.293 202 G HA3 1.001 4.958 3.960 -0.005 0.000 0.293 202 G C -1.175 173.726 174.900 0.002 0.000 1.402 202 G CA 0.368 45.313 45.100 -0.259 0.000 0.784 202 G HN 2.178 nan 8.290 nan 0.000 0.482 203 A N -1.243 121.564 122.820 -0.021 0.000 2.605 203 A HA 0.758 5.075 4.320 -0.005 0.000 0.294 203 A C -1.588 176.183 177.584 0.312 0.000 1.062 203 A CA -0.441 51.753 52.037 0.261 0.000 0.682 203 A CB 1.551 20.844 19.000 0.488 0.000 1.278 203 A HN 1.671 nan 8.150 nan 0.000 0.410 204 V N 1.528 121.617 119.914 0.292 0.000 2.448 204 V HA 0.663 4.780 4.120 -0.005 0.000 0.295 204 V C 0.021 176.295 176.094 0.301 0.000 1.025 204 V CA -0.482 61.970 62.300 0.253 0.000 0.859 204 V CB 1.371 33.275 31.823 0.136 0.000 0.988 204 V HN 1.344 nan 8.190 nan 0.000 0.431 205 V N 1.673 121.783 119.914 0.327 0.000 2.628 205 V HA 1.006 5.123 4.120 -0.005 0.000 0.306 205 V C -0.361 175.845 176.094 0.186 0.000 1.045 205 V CA -0.208 62.250 62.300 0.262 0.000 0.905 205 V CB 1.720 33.690 31.823 0.245 0.000 0.997 205 V HN 0.958 nan 8.190 nan 0.000 0.436 206 T N 1.926 116.584 114.554 0.172 0.000 2.830 206 T HA 0.612 4.959 4.350 -0.005 0.000 0.322 206 T C 0.574 175.394 174.700 0.200 0.000 1.501 206 T CA 0.254 62.446 62.100 0.154 0.000 1.036 206 T CB 1.593 70.538 68.868 0.129 0.000 1.379 206 T HN 1.311 nan 8.240 nan 0.000 0.493 207 G N 0.974 109.863 108.800 0.149 0.000 3.126 207 G HA2 0.201 4.158 3.960 -0.005 0.000 0.224 207 G HA3 0.201 4.158 3.960 -0.005 0.000 0.224 207 G C 0.058 175.074 174.900 0.193 0.000 1.142 207 G CA -0.037 45.143 45.100 0.134 0.000 0.759 207 G HN 0.651 nan 8.290 nan 0.000 0.550 208 D N 0.883 121.389 120.400 0.177 0.000 2.359 208 D HA 0.258 4.895 4.640 -0.005 0.000 0.230 208 D C -1.140 175.180 176.300 0.033 0.000 1.118 208 D CA -2.431 51.632 54.000 0.105 0.000 0.844 208 D CB 2.343 43.179 40.800 0.060 0.000 1.059 208 D HN -0.008 nan 8.370 nan 0.000 0.493 209 P HA -0.155 nan 4.420 nan 0.000 0.218 209 P C 1.029 178.248 177.300 -0.135 0.000 1.149 209 P CA 0.920 63.951 63.100 -0.116 0.000 0.817 209 P CB 0.536 32.266 31.700 0.049 0.000 0.785 210 E N 0.137 120.304 120.200 -0.056 0.000 2.072 210 E HA -0.135 4.212 4.350 -0.005 0.000 0.190 210 E C 1.919 178.483 176.600 -0.060 0.000 0.982 210 E CA 0.670 57.043 56.400 -0.046 0.000 0.803 210 E CB -1.286 28.405 29.700 -0.015 0.000 0.755 210 E HN 0.074 nan 8.360 nan 0.000 0.453 211 L N 0.296 121.485 121.223 -0.057 0.000 2.056 211 L HA 0.088 4.425 4.340 -0.005 0.000 0.207 211 L C 2.228 179.052 176.870 -0.076 0.000 1.078 211 L CA 2.098 56.906 54.840 -0.053 0.000 0.749 211 L CB -0.950 41.090 42.059 -0.032 0.000 0.901 211 L HN 0.187 nan 8.230 nan 0.000 0.433 212 A N -0.736 121.993 122.820 -0.151 0.000 1.908 212 A HA -0.256 4.061 4.320 -0.005 0.000 0.218 212 A C 2.244 179.746 177.584 -0.137 0.000 1.181 212 A CA 1.811 53.727 52.037 -0.202 0.000 0.627 212 A CB -0.699 17.950 19.000 -0.584 0.000 0.818 212 A HN 0.540 nan 8.150 nan 0.000 0.445 213 E N 0.032 120.151 120.200 -0.134 0.000 2.051 213 E HA -0.158 4.189 4.350 -0.005 0.000 0.192 213 E C 2.198 178.774 176.600 -0.041 0.000 0.991 213 E CA 1.531 57.885 56.400 -0.075 0.000 0.799 213 E CB -0.202 29.460 29.700 -0.063 0.000 0.748 213 E HN 0.612 nan 8.360 nan 0.000 0.449 214 R N -0.163 120.314 120.500 -0.039 0.000 2.105 214 R HA -0.108 4.229 4.340 -0.005 0.000 0.239 214 R C 2.529 178.820 176.300 -0.015 0.000 1.135 214 R CA 1.461 57.548 56.100 -0.022 0.000 0.967 214 R CB -0.485 29.800 30.300 -0.025 0.000 0.861 214 R HN 0.232 nan 8.270 nan 0.000 0.442 215 L N 0.115 121.327 121.223 -0.018 0.000 2.093 215 L HA -0.131 4.206 4.340 -0.005 0.000 0.208 215 L C 2.513 179.389 176.870 0.010 0.000 1.085 215 L CA 1.337 56.176 54.840 -0.001 0.000 0.755 215 L CB -0.336 41.730 42.059 0.011 0.000 0.904 215 L HN 0.109 nan 8.230 nan 0.000 0.435 216 R N -0.539 119.965 120.500 0.006 0.000 2.152 216 R HA -0.109 4.228 4.340 -0.005 0.000 0.232 216 R C 2.261 178.574 176.300 0.021 0.000 1.117 216 R CA 1.323 57.434 56.100 0.019 0.000 0.981 216 R CB -0.196 30.112 30.300 0.013 0.000 0.870 216 R HN 0.370 nan 8.270 nan 0.000 0.451 217 M N -0.167 119.442 119.600 0.014 0.000 2.216 217 M HA -0.071 4.406 4.480 -0.005 0.000 0.264 217 M C 2.077 178.394 176.300 0.030 0.000 1.080 217 M CA 1.358 56.673 55.300 0.026 0.000 1.153 217 M CB -0.112 32.502 32.600 0.022 0.000 1.356 217 M HN 0.091 nan 8.290 nan 0.000 0.432 218 L N 0.374 121.604 121.223 0.012 0.000 2.127 218 L HA -0.192 4.145 4.340 -0.005 0.000 0.211 218 L C 2.589 179.442 176.870 -0.028 0.000 1.089 218 L CA 1.262 56.100 54.840 -0.003 0.000 0.757 218 L CB -0.607 41.446 42.059 -0.009 0.000 0.899 218 L HN 0.394 nan 8.230 nan 0.000 0.434 219 R N -0.466 120.024 120.500 -0.016 0.000 2.299 219 R HA -0.054 4.284 4.340 -0.005 0.000 0.197 219 R C 0.686 176.952 176.300 -0.057 0.000 0.971 219 R CA 0.767 56.847 56.100 -0.034 0.000 1.030 219 R CB -0.256 30.048 30.300 0.006 0.000 0.932 219 R HN 0.157 nan 8.270 nan 0.000 0.477 220 N N -0.139 118.551 118.700 -0.017 0.000 2.642 220 N HA 0.084 4.821 4.740 -0.005 0.000 0.308 220 N C -1.331 174.297 175.510 0.196 0.000 1.914 220 N CA -0.639 52.442 53.050 0.052 0.000 0.893 220 N CB -0.105 38.436 38.487 0.090 0.000 1.322 220 N HN 0.294 nan 8.380 nan 0.000 0.490 221 Y N -0.545 119.817 120.300 0.103 0.000 4.409 221 Y HA -0.291 4.256 4.550 -0.005 0.000 0.228 221 Y C 1.355 177.388 175.900 0.221 0.000 1.108 221 Y CA 0.924 59.118 58.100 0.156 0.000 1.955 221 Y CB -1.470 37.132 38.460 0.237 0.000 1.615 221 Y HN 0.470 nan 8.280 nan 0.000 0.665 222 G N 0.476 109.403 108.800 0.212 0.000 2.221 222 G HA2 -0.212 3.745 3.960 -0.005 0.000 0.265 222 G HA3 -0.212 3.745 3.960 -0.005 0.000 0.265 222 G C 0.018 175.003 174.900 0.142 0.000 1.041 222 G CA 0.677 45.873 45.100 0.160 0.000 0.807 222 G HN 1.024 nan 8.290 nan 0.000 0.502 223 S N -1.026 114.738 115.700 0.107 0.000 2.526 223 S HA 0.765 5.232 4.470 -0.005 0.000 0.293 223 S C 0.863 175.453 174.600 -0.017 0.000 1.092 223 S CA -0.123 58.061 58.200 -0.027 0.000 0.980 223 S CB 0.975 64.069 63.200 -0.175 0.000 1.048 223 S HN 0.759 nan 8.310 nan 0.000 0.483 224 R N 2.616 123.092 120.500 -0.041 0.000 2.600 224 R HA 0.418 4.756 4.340 -0.005 0.000 0.392 224 R C -0.132 176.143 176.300 -0.042 0.000 1.032 224 R CA -0.525 55.559 56.100 -0.026 0.000 1.139 224 R CB 0.202 30.494 30.300 -0.013 0.000 1.400 224 R HN 0.586 nan 8.270 nan 0.000 0.566 225 Q N 1.485 121.240 119.800 -0.075 0.000 2.443 225 Q HA 0.202 4.540 4.340 -0.005 0.000 0.258 225 Q C -1.526 174.396 176.000 -0.132 0.000 0.967 225 Q CA -0.712 55.042 55.803 -0.082 0.000 0.951 225 Q CB 1.754 30.460 28.738 -0.053 0.000 1.459 225 Q HN 0.140 nan 8.270 nan 0.000 0.415 226 K N 2.771 123.074 120.400 -0.161 0.000 2.550 226 K HA -0.072 4.245 4.320 -0.005 0.000 0.280 226 K C -0.524 175.966 176.600 -0.183 0.000 0.987 226 K CA 1.306 57.434 56.287 -0.265 0.000 1.048 226 K CB -0.011 32.220 32.500 -0.448 0.000 0.879 226 K HN 0.705 nan 8.250 nan 0.000 0.491 227 Y N -1.782 118.465 120.300 -0.088 0.000 4.929 227 Y HA -0.337 4.210 4.550 -0.005 0.000 0.253 227 Y C 0.371 176.215 175.900 -0.093 0.000 0.946 227 Y CA 0.361 58.440 58.100 -0.036 0.000 1.905 227 Y CB -1.246 37.210 38.460 -0.007 0.000 1.400 227 Y HN 0.592 nan 8.280 nan 0.000 0.531 228 S N 0.729 116.342 115.700 -0.145 0.000 2.473 228 S HA 0.567 5.034 4.470 -0.005 0.000 0.307 228 S C -0.852 173.472 174.600 -0.461 0.000 1.094 228 S CA -0.506 57.602 58.200 -0.153 0.000 1.070 228 S CB 1.039 64.202 63.200 -0.062 0.000 1.019 228 S HN 0.287 nan 8.310 nan 0.000 0.480 229 H N 4.006 123.115 119.070 0.064 0.000 2.854 229 H HA 0.275 4.828 4.556 -0.005 0.000 0.275 229 H C 0.184 175.543 175.328 0.051 0.000 1.198 229 H CA -0.308 55.780 56.048 0.066 0.000 1.489 229 H CB 1.041 30.846 29.762 0.072 0.000 1.519 229 H HN 0.756 nan 8.280 nan 0.000 0.503 230 E N 1.326 121.581 120.200 0.093 0.000 2.152 230 E HA -0.061 4.287 4.350 -0.005 0.000 0.192 230 E C 0.764 177.408 176.600 0.074 0.000 0.983 230 E CA 1.107 57.548 56.400 0.068 0.000 0.818 230 E CB 0.518 30.240 29.700 0.036 0.000 0.758 230 E HN 0.586 nan 8.360 nan 0.000 0.467 231 T N -2.215 112.393 114.554 0.090 0.000 2.804 231 T HA 0.423 4.771 4.350 -0.005 0.000 0.290 231 T C -0.462 174.296 174.700 0.097 0.000 1.099 231 T CA -1.138 61.006 62.100 0.073 0.000 1.011 231 T CB 2.015 70.912 68.868 0.049 0.000 1.291 231 T HN -0.249 nan 8.240 nan 0.000 0.523 232 K N -0.373 120.068 120.400 0.069 0.000 2.138 232 K HA 0.656 4.973 4.320 -0.005 0.000 0.251 232 K C 0.366 177.007 176.600 0.069 0.000 1.015 232 K CA -0.243 56.086 56.287 0.071 0.000 0.917 232 K CB 0.636 33.161 32.500 0.042 0.000 1.021 232 K HN 0.954 nan 8.250 nan 0.000 0.485 233 G N -0.522 108.319 108.800 0.068 0.000 2.489 233 G HA2 0.360 4.318 3.960 -0.005 0.000 0.305 233 G HA3 0.360 4.318 3.960 -0.005 0.000 0.305 233 G C -1.367 173.494 174.900 -0.066 0.000 1.311 233 G CA -0.338 44.774 45.100 0.019 0.000 0.813 233 G HN 0.505 nan 8.290 nan 0.000 0.480 234 T N -1.186 113.256 114.554 -0.186 0.000 2.669 234 T HA 0.560 4.907 4.350 -0.005 0.000 0.283 234 T C -1.412 172.940 174.700 -0.580 0.000 1.019 234 T CA -0.587 61.306 62.100 -0.343 0.000 1.039 234 T CB 1.776 70.541 68.868 -0.172 0.000 1.374 234 T HN 0.575 nan 8.240 nan 0.000 0.523 235 N N 1.629 120.036 118.700 -0.490 0.000 2.621 235 N HA 0.408 5.145 4.740 -0.005 0.000 0.237 235 N C -1.570 173.854 175.510 -0.143 0.000 0.997 235 N CA -0.135 52.693 53.050 -0.371 0.000 0.918 235 N CB 0.910 39.242 38.487 -0.258 0.000 1.122 235 N HN 0.422 nan 8.380 nan 0.000 0.510 236 S N 3.991 119.638 115.700 -0.088 0.000 2.312 236 S HA 0.470 4.937 4.470 -0.005 0.000 0.173 236 S C -0.817 173.792 174.600 0.015 0.000 1.488 236 S CA -0.713 57.472 58.200 -0.024 0.000 1.239 236 S CB 0.005 63.193 63.200 -0.020 0.000 1.215 236 S HN 0.539 nan 8.310 nan 0.000 0.438 237 R N 1.270 121.790 120.500 0.033 0.000 2.892 237 R HA 0.631 4.968 4.340 -0.005 0.000 0.265 237 R C -1.354 174.989 176.300 0.072 0.000 1.025 237 R CA -1.072 55.063 56.100 0.059 0.000 0.982 237 R CB 1.341 31.677 30.300 0.061 0.000 1.185 237 R HN 0.407 nan 8.270 nan 0.000 0.484 238 L N 2.000 123.274 121.223 0.085 0.000 2.276 238 L HA 0.303 4.640 4.340 -0.005 0.000 0.286 238 L C -0.937 175.963 176.870 0.050 0.000 1.024 238 L CA -0.413 54.473 54.840 0.076 0.000 0.826 238 L CB 0.877 43.002 42.059 0.110 0.000 1.211 238 L HN 0.442 nan 8.230 nan 0.000 0.422 239 D N 3.440 123.865 120.400 0.041 0.000 2.390 239 D HA -0.033 4.605 4.640 -0.005 0.000 0.236 239 D C 1.008 177.327 176.300 0.032 0.000 1.189 239 D CA 0.043 54.072 54.000 0.049 0.000 0.887 239 D CB 0.827 41.655 40.800 0.047 0.000 1.198 239 D HN 0.547 nan 8.370 nan 0.000 0.444 240 E N 0.830 121.068 120.200 0.064 0.000 2.077 240 E HA -0.176 4.171 4.350 -0.005 0.000 0.193 240 E C 1.977 178.595 176.600 0.030 0.000 0.989 240 E CA 0.809 57.239 56.400 0.049 0.000 0.800 240 E CB -0.105 29.636 29.700 0.068 0.000 0.746 240 E HN 0.509 nan 8.360 nan 0.000 0.452 241 M N 0.563 120.197 119.600 0.057 0.000 2.065 241 M HA -0.240 4.238 4.480 -0.005 0.000 0.259 241 M C 2.273 178.569 176.300 -0.008 0.000 1.069 241 M CA 1.574 56.898 55.300 0.041 0.000 1.110 241 M CB -0.031 32.597 32.600 0.048 0.000 1.328 241 M HN -0.033 nan 8.290 nan 0.000 0.405 242 Q N -0.353 119.425 119.800 -0.038 0.000 2.050 242 Q HA -0.086 4.252 4.340 -0.005 0.000 0.202 242 Q C 2.192 178.029 176.000 -0.272 0.000 0.980 242 Q CA 1.890 57.619 55.803 -0.123 0.000 0.840 242 Q CB -0.913 27.765 28.738 -0.101 0.000 0.898 242 Q HN 0.615 nan 8.270 nan 0.000 0.424 243 A N 1.244 123.912 122.820 -0.253 0.000 1.940 243 A HA -0.126 4.191 4.320 -0.005 0.000 0.219 243 A C 2.347 179.762 177.584 -0.282 0.000 1.176 243 A CA 2.102 53.912 52.037 -0.379 0.000 0.631 243 A CB -0.734 18.171 19.000 -0.157 0.000 0.814 243 A HN 0.370 nan 8.150 nan 0.000 0.446 244 A N -0.638 122.103 122.820 -0.132 0.000 1.877 244 A HA -0.018 4.299 4.320 -0.005 0.000 0.216 244 A C 2.237 179.761 177.584 -0.100 0.000 1.186 244 A CA 1.831 53.826 52.037 -0.070 0.000 0.620 244 A CB -0.952 18.041 19.000 -0.012 0.000 0.822 244 A HN 0.408 nan 8.150 nan 0.000 0.443 245 V N 0.091 119.929 119.914 -0.126 0.000 2.343 245 V HA -0.249 3.868 4.120 -0.005 0.000 0.247 245 V C 2.546 178.474 176.094 -0.276 0.000 1.051 245 V CA 1.875 64.091 62.300 -0.140 0.000 1.036 245 V CB -0.758 30.991 31.823 -0.122 0.000 0.654 245 V HN 0.570 nan 8.190 nan 0.000 0.451 246 L N -0.556 120.388 121.223 -0.465 0.000 2.127 246 L HA -0.199 4.138 4.340 -0.005 0.000 0.211 246 L C 2.813 179.475 176.870 -0.347 0.000 1.089 246 L CA 1.545 55.973 54.840 -0.685 0.000 0.757 246 L CB -0.589 40.556 42.059 -1.524 0.000 0.899 246 L HN 0.269 nan 8.230 nan 0.000 0.434 247 R N -0.104 120.296 120.500 -0.166 0.000 2.096 247 R HA -0.125 4.213 4.340 -0.005 0.000 0.235 247 R C 2.206 178.497 176.300 -0.014 0.000 1.127 247 R CA 1.360 57.483 56.100 0.039 0.000 0.968 247 R CB -0.396 29.938 30.300 0.057 0.000 0.861 247 R HN 0.403 nan 8.270 nan 0.000 0.440 248 I N 0.454 120.991 120.570 -0.056 0.000 2.193 248 I HA -0.223 3.944 4.170 -0.005 0.000 0.240 248 I C 2.495 178.580 176.117 -0.055 0.000 1.084 248 I CA 0.990 62.278 61.300 -0.020 0.000 1.365 248 I CB -0.228 37.756 38.000 -0.027 0.000 1.064 248 I HN 0.032 nan 8.210 nan 0.000 0.410 249 R N 0.538 120.912 120.500 -0.210 0.000 2.091 249 R HA -0.192 4.145 4.340 -0.005 0.000 0.238 249 R C 2.249 178.362 176.300 -0.311 0.000 1.136 249 R CA 1.288 57.164 56.100 -0.374 0.000 0.959 249 R CB -1.230 28.830 30.300 -0.400 0.000 0.856 249 R HN 0.293 nan 8.270 nan 0.000 0.437 250 L N 1.150 122.250 121.223 -0.205 0.000 2.079 250 L HA -0.104 4.233 4.340 -0.005 0.000 0.210 250 L C 2.205 178.949 176.870 -0.209 0.000 1.081 250 L CA 2.042 56.760 54.840 -0.204 0.000 0.752 250 L CB -0.759 41.259 42.059 -0.068 0.000 0.896 250 L HN 0.171 nan 8.230 nan 0.000 0.433 251 A N -1.825 120.920 122.820 -0.125 0.000 2.070 251 A HA -0.202 4.116 4.320 -0.005 0.000 0.220 251 A C 1.680 179.048 177.584 -0.360 0.000 1.159 251 A CA 1.758 53.688 52.037 -0.179 0.000 0.656 251 A CB -0.873 18.036 19.000 -0.152 0.000 0.800 251 A HN 0.721 nan 8.150 nan 0.000 0.453 252 H N -2.196 116.668 119.070 -0.344 0.000 2.652 252 H HA 0.233 4.786 4.556 -0.004 0.000 0.274 252 H C 1.477 176.529 175.328 -0.460 0.000 1.021 252 H CA 0.089 55.865 56.048 -0.455 0.000 1.187 252 H CB 0.242 29.495 29.762 -0.847 0.000 1.505 252 H HN 0.333 nan 8.280 nan 0.000 0.530 253 L N 1.039 122.106 121.223 -0.261 0.000 1.997 253 L HA -0.238 4.100 4.340 -0.005 0.000 0.216 253 L C 1.422 178.352 176.870 0.100 0.000 1.074 253 L CA 1.962 56.732 54.840 -0.117 0.000 0.763 253 L CB -0.406 41.537 42.059 -0.193 0.000 0.890 253 L HN 0.206 nan 8.230 nan 0.000 0.434 254 D N -1.229 119.257 120.400 0.144 0.000 2.123 254 D HA -0.187 4.450 4.640 -0.005 0.000 0.196 254 D C 2.428 178.837 176.300 0.181 0.000 0.992 254 D CA 1.552 55.674 54.000 0.202 0.000 0.833 254 D CB -0.223 40.692 40.800 0.192 0.000 0.954 254 D HN 0.534 nan 8.370 nan 0.000 0.455 255 S N -0.440 115.354 115.700 0.157 0.000 2.356 255 S HA -0.164 4.303 4.470 -0.005 0.000 0.223 255 S C 1.964 176.776 174.600 0.354 0.000 1.032 255 S CA 0.938 59.269 58.200 0.219 0.000 1.005 255 S CB -0.486 62.835 63.200 0.203 0.000 0.867 255 S HN 0.242 nan 8.310 nan 0.000 0.449 256 W N 2.459 123.807 121.300 0.079 0.000 2.358 256 W HA 0.111 4.770 4.660 -0.001 0.000 0.303 256 W C 2.347 178.904 176.519 0.063 0.000 1.208 256 W CA 0.580 57.946 57.345 0.035 0.000 1.274 256 W CB -1.543 27.937 29.460 0.033 0.000 1.138 256 W HN 0.369 nan 8.180 nan 0.000 0.515 257 N N -0.310 118.598 118.700 0.346 0.000 2.205 257 N HA -0.119 4.618 4.740 -0.005 0.000 0.186 257 N C 1.996 177.650 175.510 0.240 0.000 1.015 257 N CA 1.803 55.026 53.050 0.289 0.000 0.862 257 N CB -1.148 37.510 38.487 0.286 0.000 0.986 257 N HN 0.226 nan 8.380 nan 0.000 0.429 258 G N 1.169 110.092 108.800 0.205 0.000 2.440 258 G HA2 -0.257 3.700 3.960 -0.005 0.000 0.218 258 G HA3 -0.257 3.700 3.960 -0.005 0.000 0.218 258 G C 1.687 176.650 174.900 0.105 0.000 1.154 258 G CA 0.461 45.651 45.100 0.151 0.000 0.767 258 G HN 0.313 nan 8.290 nan 0.000 0.552 259 R N 0.038 120.591 120.500 0.087 0.000 2.073 259 R HA -0.018 4.320 4.340 -0.005 0.000 0.234 259 R C 2.812 179.107 176.300 -0.008 0.000 1.134 259 R CA 1.248 57.349 56.100 0.002 0.000 0.952 259 R CB -0.332 29.923 30.300 -0.075 0.000 0.850 259 R HN 0.287 nan 8.270 nan 0.000 0.433 260 R N 0.163 120.698 120.500 0.059 0.000 2.083 260 R HA -0.090 4.247 4.340 -0.005 0.000 0.237 260 R C 2.504 178.824 176.300 0.034 0.000 1.137 260 R CA 1.750 57.901 56.100 0.086 0.000 0.951 260 R CB -0.336 30.107 30.300 0.238 0.000 0.851 260 R HN 0.113 nan 8.270 nan 0.000 0.434 261 S N 0.535 116.313 115.700 0.130 0.000 2.370 261 S HA -0.169 4.298 4.470 -0.005 0.000 0.226 261 S C 2.059 176.616 174.600 -0.072 0.000 1.033 261 S CA 1.264 59.511 58.200 0.079 0.000 1.011 261 S CB -0.210 63.125 63.200 0.226 0.000 0.852 261 S HN 0.507 nan 8.310 nan 0.000 0.457 262 A N 1.338 124.130 122.820 -0.046 0.000 1.877 262 A HA -0.051 4.266 4.320 -0.005 0.000 0.216 262 A C 2.127 179.604 177.584 -0.177 0.000 1.186 262 A CA 1.283 53.269 52.037 -0.086 0.000 0.620 262 A CB -0.775 18.186 19.000 -0.065 0.000 0.822 262 A HN 0.459 nan 8.150 nan 0.000 0.443 263 L N -0.792 120.302 121.223 -0.214 0.000 2.046 263 L HA -0.206 4.132 4.340 -0.005 0.000 0.208 263 L C 3.113 179.722 176.870 -0.435 0.000 1.077 263 L CA 1.094 55.728 54.840 -0.343 0.000 0.747 263 L CB -0.545 41.344 42.059 -0.284 0.000 0.896 263 L HN 0.443 nan 8.230 nan 0.000 0.432 264 A N -0.018 122.555 122.820 -0.412 0.000 1.940 264 A HA -0.215 4.102 4.320 -0.005 0.000 0.219 264 A C 2.522 179.898 177.584 -0.347 0.000 1.176 264 A CA 1.801 53.499 52.037 -0.565 0.000 0.631 264 A CB -0.719 17.400 19.000 -1.468 0.000 0.814 264 A HN 0.425 nan 8.150 nan 0.000 0.446 265 A N -0.551 122.119 122.820 -0.249 0.000 1.933 265 A HA -0.159 4.158 4.320 -0.005 0.000 0.218 265 A C 1.989 179.499 177.584 -0.125 0.000 1.175 265 A CA 1.668 53.635 52.037 -0.116 0.000 0.628 265 A CB -0.402 18.557 19.000 -0.069 0.000 0.814 265 A HN 0.497 nan 8.150 nan 0.000 0.444 266 E N -0.753 119.312 120.200 -0.225 0.000 2.031 266 E HA -0.195 4.153 4.350 -0.005 0.000 0.193 266 E C 1.911 178.374 176.600 -0.228 0.000 0.994 266 E CA 1.409 57.655 56.400 -0.256 0.000 0.800 266 E CB -0.525 28.937 29.700 -0.398 0.000 0.752 266 E HN 0.727 nan 8.360 nan 0.000 0.447 267 Y N 1.108 121.203 120.300 -0.341 0.000 2.128 267 Y HA -0.173 4.373 4.550 -0.007 0.000 0.284 267 Y C 2.530 178.340 175.900 -0.150 0.000 1.154 267 Y CA 0.944 58.794 58.100 -0.416 0.000 1.149 267 Y CB -0.796 36.972 38.460 -1.154 0.000 0.976 267 Y HN 0.002 nan 8.280 nan 0.000 0.505 268 L N -1.497 119.799 121.223 0.121 0.000 2.131 268 L HA -0.233 4.104 4.340 -0.005 0.000 0.210 268 L C 2.634 179.572 176.870 0.113 0.000 1.092 268 L CA 1.651 56.606 54.840 0.192 0.000 0.759 268 L CB -0.641 41.536 42.059 0.197 0.000 0.903 268 L HN 0.168 nan 8.230 nan 0.000 0.435 269 S N -0.059 115.672 115.700 0.052 0.000 2.356 269 S HA -0.048 4.420 4.470 -0.005 0.000 0.219 269 S C 1.997 176.617 174.600 0.033 0.000 1.036 269 S CA 1.041 59.261 58.200 0.034 0.000 0.965 269 S CB -0.305 62.895 63.200 0.000 0.000 0.864 269 S HN 0.444 nan 8.310 nan 0.000 0.471 270 G N 1.054 109.863 108.800 0.015 0.000 2.471 270 G HA2 0.021 3.978 3.960 -0.005 0.000 0.219 270 G HA3 0.021 3.978 3.960 -0.005 0.000 0.219 270 G C 1.229 176.166 174.900 0.061 0.000 1.125 270 G CA 0.467 45.581 45.100 0.023 0.000 0.775 270 G HN 0.526 nan 8.290 nan 0.000 0.548 271 L N 0.559 121.838 121.223 0.094 0.000 2.592 271 L HA 0.342 4.680 4.340 -0.005 0.000 0.227 271 L C 1.731 178.662 176.870 0.102 0.000 1.127 271 L CA -0.424 54.484 54.840 0.113 0.000 0.884 271 L CB -0.115 42.037 42.059 0.155 0.000 1.065 271 L HN 0.181 nan 8.230 nan 0.000 0.457 272 A N 0.247 123.120 122.820 0.089 0.000 2.520 272 A HA 0.343 4.660 4.320 -0.005 0.000 0.235 272 A C 1.523 179.144 177.584 0.061 0.000 1.065 272 A CA 0.675 52.759 52.037 0.077 0.000 0.764 272 A CB -0.233 18.808 19.000 0.068 0.000 1.002 272 A HN 0.568 nan 8.150 nan 0.000 0.502 273 G N 0.560 109.393 108.800 0.056 0.000 2.187 273 G HA2 -0.231 3.726 3.960 -0.005 0.000 0.261 273 G HA3 -0.231 3.726 3.960 -0.005 0.000 0.261 273 G C 0.110 175.033 174.900 0.038 0.000 1.000 273 G CA 0.645 45.771 45.100 0.042 0.000 0.718 273 G HN 0.818 nan 8.290 nan 0.000 0.519 274 L N 0.947 122.201 121.223 0.052 0.000 2.380 274 L HA 0.347 4.684 4.340 -0.005 0.000 0.273 274 L C -1.575 175.320 176.870 0.041 0.000 1.138 274 L CA -1.976 52.894 54.840 0.050 0.000 0.832 274 L CB 0.640 42.748 42.059 0.080 0.000 1.124 274 L HN -0.086 nan 8.230 nan 0.000 0.454 275 P HA 0.106 nan 4.420 nan 0.000 0.271 275 P C 0.724 178.034 177.300 0.016 0.000 1.220 275 P CA 0.248 63.345 63.100 -0.005 0.000 0.768 275 P CB 0.954 32.623 31.700 -0.051 0.000 0.848 276 G N 2.781 111.601 108.800 0.033 0.000 2.168 276 G HA2 -0.209 3.748 3.960 -0.005 0.000 0.263 276 G HA3 -0.209 3.748 3.960 -0.005 0.000 0.263 276 G C 0.057 175.044 174.900 0.144 0.000 0.977 276 G CA -0.342 44.808 45.100 0.083 0.000 0.659 276 G HN 0.514 nan 8.290 nan 0.000 0.533 277 I N 1.775 122.415 120.570 0.117 0.000 2.371 277 I HA 0.444 4.611 4.170 -0.005 0.000 0.282 277 I C 0.991 177.149 176.117 0.069 0.000 1.031 277 I CA -0.495 60.874 61.300 0.114 0.000 1.180 277 I CB 0.693 38.775 38.000 0.138 0.000 1.336 277 I HN 0.116 nan 8.210 nan 0.000 0.467 278 G N 7.314 116.135 108.800 0.035 0.000 2.333 278 G HA2 0.549 4.506 3.960 -0.005 0.000 0.290 278 G HA3 0.549 4.506 3.960 -0.005 0.000 0.290 278 G C -0.246 174.656 174.900 0.004 0.000 1.150 278 G CA -0.354 44.748 45.100 0.003 0.000 0.895 278 G HN 0.471 nan 8.290 nan 0.000 0.444 279 L N 3.385 124.626 121.223 0.030 0.000 2.375 279 L HA 0.411 4.749 4.340 -0.005 0.000 0.268 279 L C -1.696 175.175 176.870 0.002 0.000 1.058 279 L CA -1.991 52.874 54.840 0.042 0.000 0.803 279 L CB 1.900 44.034 42.059 0.124 0.000 1.212 279 L HN 0.346 nan 8.230 nan 0.000 0.451 280 P HA 0.138 nan 4.420 nan 0.000 0.271 280 P C -0.892 176.460 177.300 0.086 0.000 1.216 280 P CA -0.222 62.848 63.100 -0.050 0.000 0.771 280 P CB 0.904 32.531 31.700 -0.122 0.000 0.864 281 V N 3.359 123.309 119.914 0.060 0.000 2.394 281 V HA 0.219 4.336 4.120 -0.005 0.000 0.282 281 V C 0.544 176.772 176.094 0.224 0.000 1.031 281 V CA -0.239 62.157 62.300 0.159 0.000 0.881 281 V CB 1.343 33.265 31.823 0.164 0.000 0.982 281 V HN 0.530 nan 8.190 nan 0.000 0.451 282 T N 5.086 119.818 114.554 0.298 0.000 2.749 282 T HA 0.515 4.863 4.350 -0.005 0.000 0.295 282 T C 0.508 175.344 174.700 0.227 0.000 0.936 282 T CA -0.054 62.266 62.100 0.366 0.000 1.060 282 T CB 1.089 70.194 68.868 0.394 0.000 0.904 282 T HN 0.935 nan 8.240 nan 0.000 0.500 283 A N 6.154 129.082 122.820 0.179 0.000 2.466 283 A HA 0.479 4.796 4.320 -0.005 0.000 0.238 283 A C -2.045 175.533 177.584 -0.009 0.000 1.074 283 A CA -1.261 50.728 52.037 -0.080 0.000 0.774 283 A CB -0.366 18.384 19.000 -0.417 0.000 1.015 283 A HN 0.514 nan 8.150 nan 0.000 0.498 284 P HA 0.145 nan 4.420 nan 0.000 0.268 284 P C -0.857 176.398 177.300 -0.075 0.000 1.205 284 P CA 0.227 63.305 63.100 -0.036 0.000 0.771 284 P CB 0.243 31.917 31.700 -0.042 0.000 0.858 285 D N -0.885 119.469 120.400 -0.077 0.000 2.699 285 D HA -0.128 4.509 4.640 -0.005 0.000 0.239 285 D C -0.108 176.090 176.300 -0.170 0.000 1.136 285 D CA 1.103 55.018 54.000 -0.142 0.000 0.668 285 D CB -2.288 38.375 40.800 -0.229 0.000 1.060 285 D HN 0.584 nan 8.370 nan 0.000 0.429 286 T N -3.130 111.389 114.554 -0.058 0.000 2.903 286 T HA 0.533 4.881 4.350 -0.005 0.000 0.299 286 T C -0.972 173.733 174.700 0.009 0.000 1.093 286 T CA -0.926 61.167 62.100 -0.012 0.000 1.002 286 T CB 3.200 72.109 68.868 0.069 0.000 1.127 286 T HN -0.105 nan 8.240 nan 0.000 0.488 287 D N 3.373 123.771 120.400 -0.003 0.000 2.404 287 D HA 0.325 4.962 4.640 -0.005 0.000 0.267 287 D C -2.541 173.725 176.300 -0.057 0.000 1.194 287 D CA -1.097 52.907 54.000 0.007 0.000 0.910 287 D CB 1.752 42.565 40.800 0.021 0.000 1.090 287 D HN 0.375 nan 8.370 nan 0.000 0.511 288 P HA -0.006 nan 4.420 nan 0.000 0.272 288 P C 1.023 178.124 177.300 -0.333 0.000 1.230 288 P CA -0.321 62.465 63.100 -0.525 0.000 0.788 288 P CB 1.138 32.047 31.700 -1.318 0.000 0.949 289 V N -3.784 115.965 119.914 -0.274 0.000 3.528 289 V HA 0.264 4.381 4.120 -0.005 0.000 0.294 289 V C -0.186 176.053 176.094 0.241 0.000 1.404 289 V CA -0.602 61.744 62.300 0.077 0.000 1.065 289 V CB -1.837 30.103 31.823 0.195 0.000 0.904 289 V HN 0.549 nan 8.190 nan 0.000 0.435 290 W N 1.238 122.617 121.300 0.133 0.000 6.880 290 W HA -0.258 4.399 4.660 -0.004 0.000 0.423 290 W C 1.545 178.193 176.519 0.216 0.000 1.695 290 W CA 1.118 58.583 57.345 0.199 0.000 1.126 290 W CB -2.564 27.032 29.460 0.226 0.000 2.925 290 W HN 0.679 nan 8.180 nan 0.000 1.530 291 H N 0.081 119.321 119.070 0.283 0.000 2.421 291 H HA 0.113 4.667 4.556 -0.003 0.000 0.298 291 H C 0.713 176.163 175.328 0.204 0.000 1.087 291 H CA 2.223 58.416 56.048 0.242 0.000 1.330 291 H CB 0.221 30.118 29.762 0.226 0.000 1.388 291 H HN 0.307 nan 8.280 nan 0.000 0.526 292 L N -0.086 121.203 121.223 0.110 0.000 2.431 292 L HA 0.228 4.566 4.340 -0.005 0.000 0.266 292 L C -1.461 175.522 176.870 0.189 0.000 0.978 292 L CA -0.968 53.869 54.840 -0.005 0.000 0.822 292 L CB 2.425 44.377 42.059 -0.178 0.000 1.310 292 L HN 0.045 nan 8.230 nan 0.000 0.409 293 F N 2.596 122.574 119.950 0.047 0.000 2.332 293 F HA 0.498 5.022 4.527 -0.004 0.000 0.368 293 F C 0.337 176.087 175.800 -0.084 0.000 1.110 293 F CA -0.342 57.706 58.000 0.079 0.000 1.087 293 F CB 1.116 40.088 39.000 -0.047 0.000 1.235 293 F HN 0.467 nan 8.300 nan 0.000 0.470 294 T N 3.802 118.106 114.554 -0.416 0.000 2.855 294 T HA 0.742 5.090 4.350 -0.005 0.000 0.281 294 T C -0.479 174.062 174.700 -0.265 0.000 1.007 294 T CA -0.660 61.254 62.100 -0.309 0.000 1.009 294 T CB 1.535 70.105 68.868 -0.497 0.000 0.983 294 T HN 0.565 nan 8.240 nan 0.000 0.455 295 V N 0.289 120.147 119.914 -0.093 0.000 3.001 295 V HA 0.838 4.955 4.120 -0.005 0.000 0.314 295 V C -0.822 175.246 176.094 -0.044 0.000 1.099 295 V CA -1.471 60.802 62.300 -0.045 0.000 0.989 295 V CB 1.897 33.738 31.823 0.030 0.000 1.040 295 V HN 1.035 nan 8.190 nan 0.000 0.434 296 R N 0.858 121.326 120.500 -0.052 0.000 2.621 296 R HA 0.816 5.154 4.340 -0.005 0.000 0.292 296 R C -0.942 175.343 176.300 -0.025 0.000 0.969 296 R CA -0.387 55.671 56.100 -0.070 0.000 0.887 296 R CB 2.175 32.371 30.300 -0.172 0.000 1.180 296 R HN 1.010 nan 8.270 nan 0.000 0.450 297 T N -0.331 114.219 114.554 -0.007 0.000 2.889 297 T HA 0.050 4.397 4.350 -0.005 0.000 0.315 297 T C 0.451 175.185 174.700 0.056 0.000 1.291 297 T CA -0.660 61.474 62.100 0.056 0.000 1.028 297 T CB 1.589 70.532 68.868 0.126 0.000 1.235 297 T HN 0.800 nan 8.240 nan 0.000 0.491 298 E N 2.241 122.493 120.200 0.086 0.000 2.358 298 E HA 0.020 4.368 4.350 -0.005 0.000 0.195 298 E C 0.782 177.444 176.600 0.103 0.000 1.010 298 E CA 0.403 56.846 56.400 0.072 0.000 0.856 298 E CB 0.159 29.888 29.700 0.049 0.000 0.795 298 E HN 0.428 nan 8.360 nan 0.000 0.504 299 R N 1.072 121.686 120.500 0.189 0.000 3.311 299 R HA 0.241 4.578 4.340 -0.005 0.000 0.332 299 R C 1.430 177.782 176.300 0.087 0.000 1.317 299 R CA -0.399 55.838 56.100 0.229 0.000 1.192 299 R CB 0.245 30.783 30.300 0.397 0.000 1.454 299 R HN 0.055 nan 8.270 nan 0.000 0.605 300 R N 1.411 121.913 120.500 0.003 0.000 2.112 300 R HA -0.199 4.138 4.340 -0.005 0.000 0.242 300 R C 0.465 176.696 176.300 -0.115 0.000 1.137 300 R CA 2.101 58.149 56.100 -0.087 0.000 0.944 300 R CB 0.037 30.312 30.300 -0.041 0.000 0.857 300 R HN 0.277 nan 8.270 nan 0.000 0.435 301 D N 0.362 120.734 120.400 -0.046 0.000 2.123 301 D HA -0.152 4.485 4.640 -0.005 0.000 0.196 301 D C 1.943 178.210 176.300 -0.055 0.000 0.992 301 D CA 1.322 55.296 54.000 -0.044 0.000 0.833 301 D CB -0.229 40.566 40.800 -0.008 0.000 0.954 301 D HN 0.482 nan 8.370 nan 0.000 0.455 302 E N 0.033 120.227 120.200 -0.009 0.000 2.051 302 E HA -0.161 4.187 4.350 -0.005 0.000 0.192 302 E C 2.131 178.602 176.600 -0.215 0.000 0.991 302 E CA 0.419 56.851 56.400 0.053 0.000 0.799 302 E CB -0.176 29.720 29.700 0.327 0.000 0.748 302 E HN 0.136 nan 8.360 nan 0.000 0.449 303 L N 1.717 122.523 121.223 -0.696 0.000 2.042 303 L HA -0.194 4.144 4.340 -0.005 0.000 0.210 303 L C 2.401 178.964 176.870 -0.513 0.000 1.076 303 L CA 1.780 55.859 54.840 -1.269 0.000 0.749 303 L CB -0.407 40.754 42.059 -1.496 0.000 0.893 303 L HN -0.037 nan 8.230 nan 0.000 0.432 304 R N -0.648 119.665 120.500 -0.312 0.000 2.096 304 R HA -0.176 4.161 4.340 -0.005 0.000 0.240 304 R C 2.163 178.399 176.300 -0.106 0.000 1.139 304 R CA 2.003 58.000 56.100 -0.172 0.000 0.952 304 R CB -0.323 29.898 30.300 -0.131 0.000 0.854 304 R HN 0.643 nan 8.270 nan 0.000 0.436 305 S N -0.575 115.078 115.700 -0.078 0.000 2.368 305 S HA -0.194 4.273 4.470 -0.005 0.000 0.225 305 S C 1.769 176.368 174.600 -0.002 0.000 1.030 305 S CA 1.517 59.702 58.200 -0.025 0.000 0.999 305 S CB -0.667 62.538 63.200 0.009 0.000 0.844 305 S HN 0.594 nan 8.310 nan 0.000 0.459 306 H N 1.985 121.003 119.070 -0.087 0.000 2.321 306 H HA 0.064 4.623 4.556 0.005 0.000 0.300 306 H C 1.885 177.188 175.328 -0.041 0.000 1.087 306 H CA 1.683 57.714 56.048 -0.028 0.000 1.319 306 H CB -0.408 29.346 29.762 -0.013 0.000 1.379 306 H HN 0.260 nan 8.280 nan 0.000 0.501 307 L N -0.097 121.138 121.223 0.020 0.000 2.042 307 L HA -0.179 4.158 4.340 -0.005 0.000 0.210 307 L C 2.370 179.211 176.870 -0.048 0.000 1.076 307 L CA 1.638 56.474 54.840 -0.006 0.000 0.749 307 L CB -0.559 41.494 42.059 -0.011 0.000 0.893 307 L HN 0.400 nan 8.230 nan 0.000 0.432 308 D N 0.332 120.702 120.400 -0.051 0.000 2.104 308 D HA -0.211 4.426 4.640 -0.005 0.000 0.194 308 D C 2.150 178.414 176.300 -0.060 0.000 0.994 308 D CA 1.600 55.573 54.000 -0.044 0.000 0.830 308 D CB 0.080 40.857 40.800 -0.040 0.000 0.959 308 D HN 0.245 nan 8.370 nan 0.000 0.452 309 A N 0.091 122.856 122.820 -0.092 0.000 1.978 309 A HA -0.148 4.169 4.320 -0.005 0.000 0.220 309 A C 2.107 179.615 177.584 -0.127 0.000 1.170 309 A CA 1.142 53.112 52.037 -0.111 0.000 0.636 309 A CB -0.404 18.505 19.000 -0.152 0.000 0.810 309 A HN 0.113 nan 8.150 nan 0.000 0.448 310 R N -0.922 119.482 120.500 -0.161 0.000 2.319 310 R HA 0.105 4.442 4.340 -0.005 0.000 0.204 310 R C 1.138 177.410 176.300 -0.046 0.000 0.954 310 R CA 0.642 56.675 56.100 -0.113 0.000 1.066 310 R CB -0.899 29.334 30.300 -0.113 0.000 0.991 310 R HN 0.834 nan 8.270 nan 0.000 0.486 311 G N 1.463 110.241 108.800 -0.038 0.000 2.176 311 G HA2 -0.268 3.689 3.960 -0.005 0.000 0.252 311 G HA3 -0.268 3.689 3.960 -0.005 0.000 0.252 311 G C 0.072 174.975 174.900 0.004 0.000 1.024 311 G CA 0.000 45.092 45.100 -0.014 0.000 0.755 311 G HN 0.312 nan 8.290 nan 0.000 0.507 312 I N 0.846 121.420 120.570 0.007 0.000 2.362 312 I HA 0.302 4.469 4.170 -0.005 0.000 0.289 312 I C -0.607 175.535 176.117 0.041 0.000 0.994 312 I CA -0.899 60.422 61.300 0.034 0.000 1.158 312 I CB 1.362 39.387 38.000 0.041 0.000 1.315 312 I HN -0.101 nan 8.210 nan 0.000 0.451 313 D N 4.700 125.145 120.400 0.076 0.000 2.308 313 D HA 0.356 4.993 4.640 -0.005 0.000 0.251 313 D C 0.156 176.537 176.300 0.135 0.000 1.127 313 D CA 0.216 54.267 54.000 0.086 0.000 0.876 313 D CB 1.392 42.266 40.800 0.123 0.000 1.176 313 D HN 0.582 nan 8.370 nan 0.000 0.446 314 T N -0.567 113.989 114.554 0.003 0.000 2.887 314 T HA 0.810 5.158 4.350 -0.005 0.000 0.292 314 T C -0.383 174.070 174.700 -0.411 0.000 1.087 314 T CA -0.878 61.170 62.100 -0.086 0.000 1.009 314 T CB 1.123 69.962 68.868 -0.048 0.000 1.203 314 T HN 0.208 nan 8.240 nan 0.000 0.518 315 L N 0.012 120.841 121.223 -0.657 0.000 2.359 315 L HA 0.713 5.050 4.340 -0.005 0.000 0.256 315 L C -0.628 175.962 176.870 -0.467 0.000 1.026 315 L CA -1.068 53.360 54.840 -0.686 0.000 0.828 315 L CB 2.905 44.367 42.059 -0.996 0.000 1.406 315 L HN 0.830 nan 8.230 nan 0.000 0.413 316 T N -0.966 113.262 114.554 -0.543 0.000 2.812 316 T HA 0.467 4.814 4.350 -0.005 0.000 0.282 316 T C -1.106 173.187 174.700 -0.679 0.000 0.990 316 T CA -0.524 61.342 62.100 -0.391 0.000 0.960 316 T CB 0.831 69.579 68.868 -0.200 0.000 0.948 316 T HN 0.416 nan 8.240 nan 0.000 0.438 317 H N 2.286 121.141 119.070 -0.357 0.000 2.675 317 H HA 0.467 5.020 4.556 -0.005 0.000 0.258 317 H C -1.304 173.708 175.328 -0.526 0.000 1.271 317 H CA -0.349 55.128 56.048 -0.952 0.000 1.462 317 H CB 0.269 29.546 29.762 -0.808 0.000 1.467 317 H HN 0.545 nan 8.280 nan 0.000 0.501 318 Y N 1.187 121.626 120.300 0.232 0.000 2.512 318 Y HA 0.259 4.807 4.550 -0.004 0.000 0.348 318 Y C -1.803 174.145 175.900 0.081 0.000 0.990 318 Y CA -2.776 55.382 58.100 0.097 0.000 1.033 318 Y CB 1.766 40.277 38.460 0.085 0.000 1.259 318 Y HN 0.328 nan 8.280 nan 0.000 0.461 319 P HA -0.053 nan 4.420 nan 0.000 0.221 319 P C -0.207 177.146 177.300 0.087 0.000 1.150 319 P CA 1.034 64.185 63.100 0.084 0.000 0.800 319 P CB 0.541 32.256 31.700 0.024 0.000 0.787 320 V N 2.274 122.243 119.914 0.093 0.000 2.407 320 V HA 0.307 4.425 4.120 -0.005 0.000 0.291 320 V C -2.410 173.690 176.094 0.011 0.000 1.018 320 V CA -2.232 60.083 62.300 0.025 0.000 0.842 320 V CB 1.469 33.277 31.823 -0.026 0.000 0.996 320 V HN -0.074 nan 8.190 nan 0.000 0.426 321 P HA 0.150 nan 4.420 nan 0.000 0.268 321 P C 1.184 178.395 177.300 -0.149 0.000 1.204 321 P CA 0.044 63.166 63.100 0.037 0.000 0.768 321 P CB 1.107 32.928 31.700 0.202 0.000 0.842 322 V N 2.886 122.619 119.914 -0.302 0.000 2.277 322 V HA -0.324 3.793 4.120 -0.005 0.000 0.253 322 V C 2.454 178.167 176.094 -0.634 0.000 1.067 322 V CA 2.531 64.397 62.300 -0.722 0.000 1.047 322 V CB -1.797 29.063 31.823 -1.604 0.000 0.649 322 V HN 0.770 nan 8.190 nan 0.000 0.447 323 H N 0.161 118.922 119.070 -0.516 0.000 2.518 323 H HA -0.088 4.465 4.556 -0.005 0.000 0.292 323 H C 1.654 176.941 175.328 -0.068 0.000 1.068 323 H CA 1.585 57.522 56.048 -0.186 0.000 1.275 323 H CB -0.431 29.362 29.762 0.052 0.000 1.375 323 H HN 0.473 nan 8.280 nan 0.000 0.563 324 L N 1.525 122.461 121.223 -0.478 0.000 2.693 324 L HA 0.145 4.482 4.340 -0.005 0.000 0.235 324 L C 0.828 177.592 176.870 -0.177 0.000 1.127 324 L CA -0.017 54.615 54.840 -0.346 0.000 0.914 324 L CB 0.280 42.088 42.059 -0.418 0.000 1.193 324 L HN 0.141 nan 8.230 nan 0.000 0.502 325 S N -0.235 115.373 115.700 -0.154 0.000 2.565 325 S HA 0.261 4.728 4.470 -0.005 0.000 0.274 325 S C -1.552 173.017 174.600 -0.052 0.000 1.309 325 S CA -1.109 57.032 58.200 -0.100 0.000 1.043 325 S CB 1.225 64.358 63.200 -0.113 0.000 0.939 325 S HN -0.119 nan 8.310 nan 0.000 0.504 326 P HA -0.100 nan 4.420 nan 0.000 0.217 326 P C 1.456 178.716 177.300 -0.067 0.000 1.148 326 P CA 1.789 64.859 63.100 -0.049 0.000 0.828 326 P CB -0.269 31.401 31.700 -0.051 0.000 0.783 327 A N -2.085 120.677 122.820 -0.096 0.000 2.076 327 A HA -0.179 4.138 4.320 -0.005 0.000 0.220 327 A C 1.356 178.746 177.584 -0.323 0.000 1.160 327 A CA 1.329 53.245 52.037 -0.201 0.000 0.653 327 A CB -1.484 17.383 19.000 -0.221 0.000 0.801 327 A HN 0.246 nan 8.150 nan 0.000 0.455 328 Y N -0.844 119.421 120.300 -0.059 0.000 2.660 328 Y HA 0.508 5.055 4.550 -0.005 0.000 0.254 328 Y C 1.200 177.110 175.900 0.018 0.000 1.176 328 Y CA -0.441 57.661 58.100 0.003 0.000 1.195 328 Y CB -0.031 38.452 38.460 0.038 0.000 1.190 328 Y HN 0.305 nan 8.280 nan 0.000 0.535 329 A N 0.294 123.150 122.820 0.060 0.000 2.565 329 A HA 0.344 4.661 4.320 -0.005 0.000 0.237 329 A C 1.670 179.288 177.584 0.056 0.000 1.053 329 A CA 1.097 53.159 52.037 0.043 0.000 0.755 329 A CB -0.678 18.322 19.000 0.000 0.000 0.980 329 A HN 1.042 nan 8.150 nan 0.000 0.506 330 G N 1.605 110.443 108.800 0.063 0.000 2.168 330 G HA2 -0.285 3.672 3.960 -0.005 0.000 0.263 330 G HA3 -0.285 3.672 3.960 -0.005 0.000 0.263 330 G C 0.268 175.220 174.900 0.086 0.000 0.977 330 G CA 0.951 46.087 45.100 0.060 0.000 0.659 330 G HN 0.976 nan 8.290 nan 0.000 0.533 331 E N -0.909 119.375 120.200 0.140 0.000 2.571 331 E HA 0.564 4.911 4.350 -0.005 0.000 0.222 331 E C 1.047 177.765 176.600 0.197 0.000 0.904 331 E CA 0.336 56.838 56.400 0.170 0.000 1.157 331 E CB 0.848 30.684 29.700 0.227 0.000 1.158 331 E HN 0.770 nan 8.360 nan 0.000 0.540 332 A N 2.233 125.187 122.820 0.222 0.000 2.313 332 A HA 0.641 4.958 4.320 -0.005 0.000 0.323 332 A C -2.506 175.188 177.584 0.183 0.000 1.133 332 A CA -1.536 50.645 52.037 0.240 0.000 0.847 332 A CB 0.197 19.413 19.000 0.361 0.000 1.308 332 A HN -0.156 nan 8.150 nan 0.000 0.475 333 P HA 0.285 nan 4.420 nan 0.000 0.270 333 P C -2.589 174.831 177.300 0.200 0.000 1.223 333 P CA -0.733 62.447 63.100 0.135 0.000 0.785 333 P CB -0.429 31.313 31.700 0.070 0.000 0.923 334 P HA 0.113 nan 4.420 nan 0.000 0.275 334 P C -0.128 177.279 177.300 0.178 0.000 1.228 334 P CA -0.220 62.960 63.100 0.133 0.000 0.786 334 P CB 0.423 32.171 31.700 0.080 0.000 0.927 335 E N 1.087 121.374 120.200 0.145 0.000 2.502 335 E HA 0.127 4.475 4.350 -0.005 0.000 0.261 335 E C 1.123 177.800 176.600 0.128 0.000 0.974 335 E CA 1.106 57.597 56.400 0.151 0.000 0.936 335 E CB -0.538 29.196 29.700 0.057 0.000 0.926 335 E HN 0.784 nan 8.360 nan 0.000 0.459 336 G N 2.652 111.542 108.800 0.149 0.000 2.258 336 G HA2 -0.382 3.576 3.960 -0.005 0.000 0.233 336 G HA3 -0.382 3.576 3.960 -0.005 0.000 0.233 336 G C 0.982 175.924 174.900 0.070 0.000 1.006 336 G CA 0.752 45.907 45.100 0.092 0.000 0.620 336 G HN 0.876 nan 8.290 nan 0.000 0.511 337 S N -0.296 115.449 115.700 0.076 0.000 2.561 337 S HA 0.461 4.928 4.470 -0.005 0.000 0.225 337 S C 1.097 175.677 174.600 -0.034 0.000 0.977 337 S CA 1.019 59.234 58.200 0.025 0.000 0.926 337 S CB -0.049 63.170 63.200 0.032 0.000 0.769 337 S HN 0.736 nan 8.310 nan 0.000 0.533 338 L N 1.559 122.743 121.223 -0.064 0.000 2.725 338 L HA 0.366 4.703 4.340 -0.005 0.000 0.270 338 L C -1.981 174.876 176.870 -0.022 0.000 1.422 338 L CA -1.559 53.191 54.840 -0.149 0.000 0.770 338 L CB 1.652 43.394 42.059 -0.528 0.000 1.081 338 L HN 0.050 nan 8.230 nan 0.000 0.527 339 P HA -0.207 nan 4.420 nan 0.000 0.217 339 P C 1.304 178.641 177.300 0.061 0.000 1.148 339 P CA 1.416 64.548 63.100 0.053 0.000 0.828 339 P CB 0.190 31.908 31.700 0.031 0.000 0.783 340 R N -0.033 120.497 120.500 0.051 0.000 2.066 340 R HA -0.014 4.323 4.340 -0.005 0.000 0.232 340 R C 2.567 178.955 176.300 0.146 0.000 1.131 340 R CA 1.553 57.699 56.100 0.076 0.000 0.955 340 R CB -1.224 29.120 30.300 0.073 0.000 0.851 340 R HN 0.152 nan 8.270 nan 0.000 0.432 341 A N 1.521 124.434 122.820 0.155 0.000 1.933 341 A HA -0.207 4.110 4.320 -0.005 0.000 0.218 341 A C 1.944 179.698 177.584 0.284 0.000 1.175 341 A CA 1.466 53.646 52.037 0.238 0.000 0.628 341 A CB -0.335 18.790 19.000 0.208 0.000 0.814 341 A HN 0.345 nan 8.150 nan 0.000 0.444 342 E N -0.664 119.684 120.200 0.246 0.000 2.051 342 E HA -0.151 4.196 4.350 -0.005 0.000 0.192 342 E C 2.325 179.021 176.600 0.159 0.000 0.991 342 E CA 1.339 57.870 56.400 0.218 0.000 0.799 342 E CB -0.210 29.606 29.700 0.195 0.000 0.748 342 E HN 0.602 nan 8.360 nan 0.000 0.449 343 S N -0.174 115.599 115.700 0.121 0.000 2.383 343 S HA -0.144 4.324 4.470 -0.005 0.000 0.227 343 S C 1.740 176.386 174.600 0.076 0.000 1.026 343 S CA 0.780 59.019 58.200 0.065 0.000 0.981 343 S CB -0.307 62.897 63.200 0.008 0.000 0.818 343 S HN 0.281 nan 8.310 nan 0.000 0.472 344 F N 1.801 121.743 119.950 -0.012 0.000 2.069 344 F HA -0.087 4.437 4.527 -0.005 0.000 0.298 344 F C 2.636 178.474 175.800 0.063 0.000 1.113 344 F CA 1.195 59.163 58.000 -0.052 0.000 1.214 344 F CB -0.535 38.269 39.000 -0.327 0.000 0.978 344 F HN 0.332 nan 8.300 nan 0.000 0.474 345 A N 0.705 123.745 122.820 0.366 0.000 1.948 345 A HA -0.268 4.050 4.320 -0.005 0.000 0.220 345 A C 2.125 179.811 177.584 0.171 0.000 1.177 345 A CA 2.057 54.258 52.037 0.274 0.000 0.636 345 A CB -0.852 18.279 19.000 0.219 0.000 0.815 345 A HN 0.575 nan 8.150 nan 0.000 0.449 346 R N -0.989 119.590 120.500 0.131 0.000 2.276 346 R HA 0.093 4.430 4.340 -0.005 0.000 0.196 346 R C 1.353 177.686 176.300 0.056 0.000 0.961 346 R CA 1.177 57.324 56.100 0.078 0.000 1.024 346 R CB -0.176 30.159 30.300 0.059 0.000 0.940 346 R HN 0.595 nan 8.270 nan 0.000 0.480 347 Q N 0.519 120.354 119.800 0.059 0.000 2.350 347 Q HA 0.212 4.549 4.340 -0.005 0.000 0.225 347 Q C 0.192 176.204 176.000 0.020 0.000 0.878 347 Q CA -0.132 55.680 55.803 0.015 0.000 0.935 347 Q CB 1.281 29.994 28.738 -0.042 0.000 1.099 347 Q HN 0.061 nan 8.270 nan 0.000 0.527 348 V N 1.709 121.681 119.914 0.097 0.000 2.686 348 V HA 0.215 4.332 4.120 -0.005 0.000 0.295 348 V C -0.857 175.258 176.094 0.036 0.000 1.055 348 V CA -0.066 62.305 62.300 0.118 0.000 1.050 348 V CB 1.079 33.109 31.823 0.346 0.000 0.984 348 V HN 0.127 nan 8.190 nan 0.000 0.482 349 L N 5.501 126.723 121.223 -0.003 0.000 2.455 349 L HA 0.594 4.931 4.340 -0.005 0.000 0.264 349 L C -0.352 176.514 176.870 -0.007 0.000 0.968 349 L CA 0.253 55.072 54.840 -0.034 0.000 0.827 349 L CB 2.529 44.544 42.059 -0.073 0.000 1.317 349 L HN 0.609 nan 8.230 nan 0.000 0.407 350 S N 4.699 120.427 115.700 0.046 0.000 2.442 350 S HA 0.678 5.145 4.470 -0.005 0.000 0.297 350 S C -0.423 174.359 174.600 0.304 0.000 1.131 350 S CA -0.500 57.813 58.200 0.188 0.000 1.092 350 S CB 0.667 64.111 63.200 0.406 0.000 0.998 350 S HN 0.495 nan 8.310 nan 0.000 0.478 351 L N 4.204 125.551 121.223 0.206 0.000 2.357 351 L HA 0.429 4.766 4.340 -0.005 0.000 0.273 351 L C -2.211 174.719 176.870 0.101 0.000 1.080 351 L CA -2.571 52.318 54.840 0.083 0.000 0.803 351 L CB 0.527 42.395 42.059 -0.318 0.000 1.174 351 L HN 0.308 nan 8.230 nan 0.000 0.443 352 P HA 0.115 nan 4.420 nan 0.000 0.262 352 P C -0.792 176.466 177.300 -0.070 0.000 1.182 352 P CA 0.581 63.633 63.100 -0.080 0.000 0.761 352 P CB 0.619 32.344 31.700 0.041 0.000 0.795 353 I N 1.555 121.970 120.570 -0.258 0.000 2.842 353 I HA 0.721 4.888 4.170 -0.005 0.000 0.297 353 I C -0.571 175.439 176.117 -0.179 0.000 1.380 353 I CA -0.194 61.038 61.300 -0.114 0.000 1.018 353 I CB 2.151 40.175 38.000 0.040 0.000 1.311 353 I HN 0.610 nan 8.210 nan 0.000 0.439 354 G N 5.225 113.959 108.800 -0.111 0.000 2.325 354 G HA2 0.260 4.217 3.960 -0.005 0.000 0.297 354 G HA3 0.260 4.217 3.960 -0.005 0.000 0.297 354 G C -3.050 171.735 174.900 -0.192 0.000 1.448 354 G CA -0.510 44.522 45.100 -0.114 0.000 0.838 354 G HN 0.291 nan 8.290 nan 0.000 0.579 355 P HA 0.105 nan 4.420 nan 0.000 0.245 355 P C 0.466 177.138 177.300 -1.047 0.000 1.212 355 P CA 0.992 63.681 63.100 -0.685 0.000 0.774 355 P CB -0.039 31.030 31.700 -1.051 0.000 0.999 356 H N -1.871 117.012 119.070 -0.312 0.000 2.784 356 H HA 0.286 4.839 4.556 -0.005 0.000 0.273 356 H C 0.183 175.410 175.328 -0.169 0.000 1.112 356 H CA -0.537 55.355 56.048 -0.260 0.000 1.162 356 H CB 0.165 29.767 29.762 -0.267 0.000 1.586 356 H HN -0.005 nan 8.280 nan 0.000 0.548 357 L N 1.985 123.134 121.223 -0.123 0.000 2.276 357 L HA 0.303 4.640 4.340 -0.005 0.000 0.286 357 L C -0.215 176.583 176.870 -0.120 0.000 1.061 357 L CA -0.366 54.414 54.840 -0.100 0.000 0.807 357 L CB 0.938 42.932 42.059 -0.108 0.000 1.177 357 L HN 0.098 nan 8.230 nan 0.000 0.429 358 E N 3.486 123.627 120.200 -0.098 0.000 2.277 358 E HA 0.256 4.604 4.350 -0.005 0.000 0.274 358 E C 0.567 177.092 176.600 -0.125 0.000 1.022 358 E CA -0.465 55.874 56.400 -0.102 0.000 0.853 358 E CB 1.263 30.920 29.700 -0.073 0.000 1.086 358 E HN 0.550 nan 8.360 nan 0.000 0.397 359 R N 2.680 123.100 120.500 -0.132 0.000 2.159 359 R HA -0.191 4.146 4.340 -0.005 0.000 0.249 359 R C -0.848 175.366 176.300 -0.145 0.000 1.136 359 R CA 2.269 58.277 56.100 -0.155 0.000 0.951 359 R CB -1.000 29.225 30.300 -0.126 0.000 0.876 359 R HN 0.424 nan 8.270 nan 0.000 0.440 360 P HA -0.112 nan 4.420 nan 0.000 0.218 360 P C 0.792 178.044 177.300 -0.079 0.000 1.149 360 P CA 1.330 64.381 63.100 -0.081 0.000 0.817 360 P CB -0.090 31.576 31.700 -0.057 0.000 0.785 361 Q N -0.346 119.404 119.800 -0.082 0.000 2.046 361 Q HA -0.084 4.253 4.340 -0.005 0.000 0.200 361 Q C 2.341 178.293 176.000 -0.081 0.000 0.975 361 Q CA 1.721 57.486 55.803 -0.064 0.000 0.836 361 Q CB -0.695 28.009 28.738 -0.057 0.000 0.896 361 Q HN 0.159 nan 8.270 nan 0.000 0.428 362 A N 0.766 123.487 122.820 -0.165 0.000 1.933 362 A HA -0.160 4.157 4.320 -0.005 0.000 0.218 362 A C 2.031 179.474 177.584 -0.235 0.000 1.175 362 A CA 1.105 52.963 52.037 -0.299 0.000 0.628 362 A CB -0.677 17.974 19.000 -0.581 0.000 0.814 362 A HN 0.304 nan 8.150 nan 0.000 0.444 363 L N -1.067 120.049 121.223 -0.179 0.000 2.131 363 L HA -0.165 4.173 4.340 -0.005 0.000 0.210 363 L C 2.735 179.580 176.870 -0.041 0.000 1.092 363 L CA 1.639 56.412 54.840 -0.113 0.000 0.759 363 L CB -0.488 41.513 42.059 -0.097 0.000 0.903 363 L HN 0.494 nan 8.230 nan 0.000 0.435 364 R N 0.237 120.720 120.500 -0.029 0.000 2.075 364 R HA -0.125 4.212 4.340 -0.005 0.000 0.232 364 R C 2.200 178.524 176.300 0.041 0.000 1.126 364 R CA 1.360 57.464 56.100 0.006 0.000 0.963 364 R CB -0.164 30.136 30.300 -0.000 0.000 0.858 364 R HN 0.125 nan 8.270 nan 0.000 0.435 365 V N 1.363 121.312 119.914 0.057 0.000 2.343 365 V HA -0.253 3.864 4.120 -0.005 0.000 0.247 365 V C 2.353 178.527 176.094 0.135 0.000 1.051 365 V CA 1.911 64.282 62.300 0.118 0.000 1.036 365 V CB -0.370 31.573 31.823 0.201 0.000 0.654 365 V HN 0.336 nan 8.190 nan 0.000 0.451 366 I N 0.112 120.758 120.570 0.127 0.000 2.208 366 I HA -0.254 3.913 4.170 -0.005 0.000 0.245 366 I C 2.314 178.485 176.117 0.091 0.000 1.097 366 I CA 1.599 62.966 61.300 0.113 0.000 1.363 366 I CB -0.563 37.473 38.000 0.061 0.000 1.051 366 I HN 0.323 nan 8.210 nan 0.000 0.413 367 D N 1.133 121.576 120.400 0.071 0.000 2.104 367 D HA -0.194 4.443 4.640 -0.005 0.000 0.194 367 D C 2.272 178.644 176.300 0.119 0.000 0.994 367 D CA 1.807 55.852 54.000 0.076 0.000 0.830 367 D CB -0.221 40.612 40.800 0.055 0.000 0.959 367 D HN 0.393 nan 8.370 nan 0.000 0.452 368 A N 0.633 123.538 122.820 0.142 0.000 1.873 368 A HA -0.119 4.198 4.320 -0.005 0.000 0.215 368 A C 2.584 180.318 177.584 0.249 0.000 1.186 368 A CA 1.309 53.483 52.037 0.230 0.000 0.616 368 A CB -0.771 18.339 19.000 0.183 0.000 0.823 368 A HN 0.145 nan 8.150 nan 0.000 0.442 369 V N 0.149 120.167 119.914 0.173 0.000 2.343 369 V HA -0.255 3.863 4.120 -0.005 0.000 0.247 369 V C 2.642 178.854 176.094 0.197 0.000 1.051 369 V CA 2.233 64.631 62.300 0.162 0.000 1.036 369 V CB -0.857 31.034 31.823 0.113 0.000 0.654 369 V HN 0.591 nan 8.190 nan 0.000 0.451 370 R N 0.172 120.759 120.500 0.146 0.000 2.070 370 R HA -0.243 4.094 4.340 -0.005 0.000 0.233 370 R C 2.475 178.829 176.300 0.091 0.000 1.137 370 R CA 2.219 58.385 56.100 0.110 0.000 0.945 370 R CB -0.357 29.992 30.300 0.083 0.000 0.845 370 R HN 0.748 nan 8.270 nan 0.000 0.430 371 E N -0.559 119.707 120.200 0.110 0.000 2.065 371 E HA -0.273 4.074 4.350 -0.005 0.000 0.201 371 E C 1.823 178.425 176.600 0.004 0.000 1.016 371 E CA 1.916 58.370 56.400 0.089 0.000 0.818 371 E CB -0.548 29.267 29.700 0.191 0.000 0.749 371 E HN 0.521 nan 8.360 nan 0.000 0.453 372 W N 1.022 122.157 121.300 -0.275 0.000 2.355 372 W HA -0.142 4.513 4.660 -0.007 0.000 0.309 372 W C 2.392 178.793 176.519 -0.197 0.000 1.206 372 W CA 2.545 59.625 57.345 -0.442 0.000 1.284 372 W CB -0.576 28.515 29.460 -0.616 0.000 1.145 372 W HN 0.235 nan 8.180 nan 0.000 0.502 373 A N -0.002 122.847 122.820 0.048 0.000 1.972 373 A HA -0.212 4.106 4.320 -0.005 0.000 0.219 373 A C 1.717 179.164 177.584 -0.229 0.000 1.169 373 A CA 1.904 53.864 52.037 -0.129 0.000 0.635 373 A CB -0.715 18.339 19.000 0.090 0.000 0.810 373 A HN 0.515 nan 8.150 nan 0.000 0.446 374 E N -0.671 119.442 120.200 -0.145 0.000 2.489 374 E HA 0.045 4.393 4.350 -0.005 0.000 0.193 374 E C 0.740 177.242 176.600 -0.163 0.000 1.057 374 E CA -0.352 55.974 56.400 -0.123 0.000 0.866 374 E CB 0.193 29.862 29.700 -0.052 0.000 0.916 374 E HN 0.507 nan 8.360 nan 0.000 0.500 375 R N 0.000 120.343 120.500 -0.262 0.000 2.786 375 R HA 0.000 4.337 4.340 -0.005 0.000 0.208 375 R CA 0.000 55.948 56.100 -0.253 0.000 0.921 375 R CB 0.000 30.102 30.300 -0.329 0.000 0.687 375 R HN 0.000 nan 8.270 nan 0.000 0.535