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 1iev_1_A DATA FIRST_RESID 1 DATA SEQUENCE DYVLYKDATK PVEDRVADLL GRMTLAEKIG QMTQIERLVA TPDVLRDNFI DATA SEQUENCE GSLLSGGGSV PRKGATAKEW QDMVDGFQKA CMSTRLGIPM IYGIDAVHGQ DATA SEQUENCE NNVYGATIFP HNVGLGATRD PYLVKRIGEA TALEVRATGI QYAFAPCIAV DATA SEQUENCE cRDPRWGRcY ESYSEDRRIV QSMTELIPGL QGDVPKDFTS GMPFVAGKNK DATA SEQUENCE VAACAKHFVG DGGTVDGINE NNTIINREGL MNIHMPAYKN AMDKGVSTVM DATA SEQUENCE ISYSSWNGVK MHANQDLVTG YLKDTLKFKG FVISDWEGID RITTPAGSDY DATA SEQUENCE SYSVKASILA GLDMIMVPNK YQQFISILTG HVNGGVIPMS RIDDAVTRIL DATA SEQUENCE RVKFTMGLFE NPYADPAMAE QLGKQEHRDL AREAARKSLV LLKNGKTSTD DATA SEQUENCE APLLPLPKKA PKILVAGSHA DNLGYQCGGW TIEWQGDTGR TTVGTTILEA DATA SEQUENCE VKAAVDPSTV VVFAENPDAE FVKSGGFSYA IVAVGEHPYT ETKGDNLNLT DATA SEQUENCE IPEPGLSTVQ AVcGGVRcAT VLISGRPVVV QPLLAASDAL VAAWLPGSEG DATA SEQUENCE QGVTDALFGD FGFTGRLPRT WFKSVDQLPM NVGDAHYDPL FRLGYGLTTN DATA SEQUENCE AT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.360 176.300 0.100 0.000 2.045 1 D CA 0.000 54.044 54.000 0.073 0.000 0.868 1 D CB 0.000 40.845 40.800 0.075 0.000 0.688 2 Y N 0.690 120.982 120.300 -0.013 0.000 2.717 2 Y HA 0.388 4.941 4.550 0.004 0.000 0.330 2 Y C -0.398 175.484 175.900 -0.030 0.000 1.217 2 Y CA 0.099 58.184 58.100 -0.025 0.000 1.506 2 Y CB 0.512 38.957 38.460 -0.025 0.000 1.268 2 Y HN 0.251 nan 8.280 nan 0.000 0.561 3 V N 9.664 129.238 119.914 -0.566 0.000 2.277 3 V HA 0.010 4.133 4.120 0.005 0.000 0.269 3 V C 0.979 176.479 176.094 -0.990 0.000 1.036 3 V CA -0.670 61.267 62.300 -0.604 0.000 0.821 3 V CB 0.695 32.267 31.823 -0.417 0.000 1.052 3 V HN 0.899 nan 8.190 nan 0.000 0.462 4 L N 5.728 126.364 121.223 -0.979 0.000 2.081 4 L HA -0.178 4.164 4.340 0.005 0.000 0.212 4 L C 2.257 178.917 176.870 -0.351 0.000 1.080 4 L CA 2.627 57.066 54.840 -0.667 0.000 0.754 4 L CB -0.911 41.006 42.059 -0.236 0.000 0.893 4 L HN 0.851 nan 8.230 nan 0.000 0.433 5 Y N -0.518 119.607 120.300 -0.292 0.000 2.421 5 Y HA -0.067 4.486 4.550 0.006 0.000 0.292 5 Y C 2.146 177.961 175.900 -0.142 0.000 1.136 5 Y CA 1.088 59.043 58.100 -0.243 0.000 1.255 5 Y CB -0.726 37.661 38.460 -0.122 0.000 0.991 5 Y HN 0.104 nan 8.280 nan 0.000 0.552 6 K N 0.254 120.288 120.400 -0.611 0.000 2.426 6 K HA -0.038 4.285 4.320 0.005 0.000 0.193 6 K C -0.034 176.476 176.600 -0.150 0.000 1.028 6 K CA 0.373 56.431 56.287 -0.382 0.000 1.047 6 K CB 0.043 32.263 32.500 -0.468 0.000 0.821 6 K HN 0.180 nan 8.250 nan 0.000 0.513 7 D N 0.616 120.924 120.400 -0.153 0.000 2.352 7 D HA 0.095 4.738 4.640 0.005 0.000 0.245 7 D C 0.624 176.922 176.300 -0.003 0.000 1.224 7 D CA -0.160 53.830 54.000 -0.017 0.000 0.879 7 D CB 1.313 42.160 40.800 0.078 0.000 1.057 7 D HN 0.128 nan 8.370 nan 0.000 0.491 8 A N 2.985 125.825 122.820 0.034 0.000 2.172 8 A HA -0.123 4.200 4.320 0.005 0.000 0.216 8 A C 1.936 179.538 177.584 0.029 0.000 1.154 8 A CA 1.648 53.713 52.037 0.047 0.000 0.701 8 A CB -0.514 18.529 19.000 0.072 0.000 0.789 8 A HN 0.632 nan 8.150 nan 0.000 0.465 9 T N -2.599 111.972 114.554 0.028 0.000 3.113 9 T HA 0.095 4.447 4.350 0.005 0.000 0.256 9 T C 0.687 175.390 174.700 0.005 0.000 1.131 9 T CA -0.002 62.111 62.100 0.021 0.000 1.074 9 T CB -0.155 68.729 68.868 0.026 0.000 0.944 9 T HN 0.163 nan 8.240 nan 0.000 0.516 10 K N 2.402 122.795 120.400 -0.012 0.000 2.154 10 K HA 0.420 4.743 4.320 0.005 0.000 0.264 10 K C -2.700 173.855 176.600 -0.074 0.000 1.008 10 K CA -2.832 53.432 56.287 -0.039 0.000 0.937 10 K CB 0.011 32.476 32.500 -0.057 0.000 1.002 10 K HN 0.116 nan 8.250 nan 0.000 0.469 11 P HA -0.027 nan 4.420 nan 0.000 0.264 11 P C 0.916 178.119 177.300 -0.161 0.000 1.183 11 P CA -0.033 63.016 63.100 -0.085 0.000 0.763 11 P CB 0.445 32.105 31.700 -0.066 0.000 0.807 12 V N 2.559 122.385 119.914 -0.147 0.000 2.568 12 V HA -0.208 3.915 4.120 0.005 0.000 0.253 12 V C 1.985 177.933 176.094 -0.244 0.000 1.072 12 V CA 1.780 63.946 62.300 -0.223 0.000 1.084 12 V CB -0.792 30.993 31.823 -0.064 0.000 0.676 12 V HN 0.597 nan 8.190 nan 0.000 0.469 13 E N -0.366 119.742 120.200 -0.153 0.000 2.230 13 E HA -0.113 4.240 4.350 0.005 0.000 0.192 13 E C 1.877 178.381 176.600 -0.160 0.000 0.987 13 E CA 0.745 57.066 56.400 -0.130 0.000 0.841 13 E CB -0.206 29.445 29.700 -0.081 0.000 0.783 13 E HN 0.622 nan 8.360 nan 0.000 0.481 14 D N 0.626 120.923 120.400 -0.171 0.000 2.149 14 D HA -0.074 4.569 4.640 0.005 0.000 0.201 14 D C 1.978 178.144 176.300 -0.224 0.000 0.972 14 D CA 0.692 54.599 54.000 -0.154 0.000 0.835 14 D CB -0.127 40.604 40.800 -0.115 0.000 0.966 14 D HN 0.122 nan 8.370 nan 0.000 0.476 15 R N 0.375 120.636 120.500 -0.397 0.000 2.090 15 R HA -0.009 4.334 4.340 0.005 0.000 0.228 15 R C 2.380 178.308 176.300 -0.620 0.000 1.110 15 R CA 0.451 56.176 56.100 -0.626 0.000 0.973 15 R CB -0.273 29.309 30.300 -1.198 0.000 0.869 15 R HN 0.055 nan 8.270 nan 0.000 0.440 16 V N 1.047 120.635 119.914 -0.544 0.000 2.307 16 V HA -0.209 3.914 4.120 0.005 0.000 0.245 16 V C 2.417 178.451 176.094 -0.100 0.000 1.045 16 V CA 1.990 64.187 62.300 -0.171 0.000 1.024 16 V CB -0.562 31.219 31.823 -0.069 0.000 0.651 16 V HN 0.392 nan 8.190 nan 0.000 0.449 17 A N -0.141 122.606 122.820 -0.122 0.000 1.933 17 A HA -0.295 4.028 4.320 0.005 0.000 0.218 17 A C 2.006 179.547 177.584 -0.072 0.000 1.175 17 A CA 2.216 54.205 52.037 -0.080 0.000 0.628 17 A CB -0.670 18.285 19.000 -0.074 0.000 0.814 17 A HN 0.636 nan 8.150 nan 0.000 0.444 18 D N -0.856 119.494 120.400 -0.084 0.000 2.097 18 D HA -0.146 4.497 4.640 0.005 0.000 0.195 18 D C 1.809 178.083 176.300 -0.043 0.000 0.989 18 D CA 1.343 55.320 54.000 -0.039 0.000 0.827 18 D CB -0.130 40.658 40.800 -0.021 0.000 0.966 18 D HN 0.217 nan 8.370 nan 0.000 0.456 19 L N 0.275 121.429 121.223 -0.114 0.000 1.994 19 L HA -0.041 4.302 4.340 0.005 0.000 0.208 19 L C 2.147 178.901 176.870 -0.194 0.000 1.071 19 L CA 1.462 56.106 54.840 -0.328 0.000 0.745 19 L CB -1.245 40.587 42.059 -0.378 0.000 0.892 19 L HN 0.252 nan 8.230 nan 0.000 0.431 20 L N 0.296 121.454 121.223 -0.109 0.000 2.051 20 L HA -0.155 4.187 4.340 0.005 0.000 0.214 20 L C 2.310 179.132 176.870 -0.080 0.000 1.076 20 L CA 2.262 57.053 54.840 -0.082 0.000 0.758 20 L CB -1.528 40.500 42.059 -0.051 0.000 0.890 20 L HN 0.387 nan 8.230 nan 0.000 0.433 21 G N -1.350 107.410 108.800 -0.067 0.000 2.498 21 G HA2 -0.237 3.726 3.960 0.005 0.000 0.219 21 G HA3 -0.237 3.726 3.960 0.005 0.000 0.219 21 G C 1.614 176.484 174.900 -0.051 0.000 1.119 21 G CA 0.724 45.794 45.100 -0.050 0.000 0.766 21 G HN 0.473 nan 8.290 nan 0.000 0.552 22 R N -0.831 119.628 120.500 -0.068 0.000 2.362 22 R HA 0.334 4.677 4.340 0.005 0.000 0.227 22 R C 0.533 176.779 176.300 -0.091 0.000 0.905 22 R CA -0.229 55.836 56.100 -0.059 0.000 1.067 22 R CB 0.294 30.573 30.300 -0.035 0.000 1.078 22 R HN 0.311 nan 8.270 nan 0.000 0.516 23 M N 1.690 121.220 119.600 -0.117 0.000 2.162 23 M HA 0.122 4.604 4.480 0.005 0.000 0.356 23 M C 0.624 176.836 176.300 -0.147 0.000 1.303 23 M CA -0.170 55.039 55.300 -0.152 0.000 1.116 23 M CB 1.226 33.730 32.600 -0.159 0.000 1.632 23 M HN 0.062 nan 8.290 nan 0.000 0.469 24 T N -0.250 114.189 114.554 -0.191 0.000 2.698 24 T HA 0.133 4.486 4.350 0.005 0.000 0.295 24 T C 0.843 175.444 174.700 -0.166 0.000 1.007 24 T CA -0.748 61.254 62.100 -0.164 0.000 0.980 24 T CB 0.769 69.522 68.868 -0.192 0.000 1.036 24 T HN 0.664 nan 8.240 nan 0.000 0.526 25 L N 0.736 121.887 121.223 -0.119 0.000 2.156 25 L HA 0.217 4.560 4.340 0.005 0.000 0.208 25 L C 2.683 179.491 176.870 -0.103 0.000 1.095 25 L CA 1.998 56.781 54.840 -0.096 0.000 0.770 25 L CB -1.407 40.614 42.059 -0.064 0.000 0.914 25 L HN 0.895 nan 8.230 nan 0.000 0.439 26 A N -0.795 121.954 122.820 -0.118 0.000 1.930 26 A HA -0.171 4.151 4.320 0.005 0.000 0.217 26 A C 2.151 179.646 177.584 -0.149 0.000 1.175 26 A CA 1.597 53.601 52.037 -0.054 0.000 0.627 26 A CB -0.489 18.541 19.000 0.050 0.000 0.815 26 A HN 0.587 nan 8.150 nan 0.000 0.443 27 E N -0.071 119.863 120.200 -0.443 0.000 2.106 27 E HA -0.151 4.202 4.350 0.005 0.000 0.192 27 E C 1.997 178.481 176.600 -0.193 0.000 0.984 27 E CA 1.144 57.247 56.400 -0.496 0.000 0.806 27 E CB -0.104 29.221 29.700 -0.624 0.000 0.750 27 E HN 0.573 nan 8.360 nan 0.000 0.458 28 K N 0.670 120.978 120.400 -0.153 0.000 2.001 28 K HA -0.087 4.235 4.320 0.005 0.000 0.208 28 K C 2.182 178.752 176.600 -0.050 0.000 1.048 28 K CA 1.049 57.280 56.287 -0.092 0.000 0.932 28 K CB -0.142 32.308 32.500 -0.084 0.000 0.715 28 K HN 0.096 nan 8.250 nan 0.000 0.437 29 I N 0.917 121.462 120.570 -0.042 0.000 2.361 29 I HA -0.194 3.978 4.170 0.005 0.000 0.251 29 I C 2.410 178.560 176.117 0.055 0.000 1.133 29 I CA 1.163 62.453 61.300 -0.017 0.000 1.413 29 I CB -0.549 37.410 38.000 -0.068 0.000 1.073 29 I HN 0.325 nan 8.210 nan 0.000 0.424 30 G N -0.138 108.702 108.800 0.067 0.000 2.422 30 G HA2 -0.225 3.738 3.960 0.005 0.000 0.218 30 G HA3 -0.225 3.738 3.960 0.005 0.000 0.218 30 G C 1.602 176.539 174.900 0.062 0.000 1.146 30 G CA 0.294 45.467 45.100 0.121 0.000 0.769 30 G HN 0.259 nan 8.290 nan 0.000 0.547 31 Q N 0.020 119.824 119.800 0.008 0.000 2.079 31 Q HA 0.079 4.421 4.340 0.005 0.000 0.200 31 Q C 2.504 178.465 176.000 -0.064 0.000 0.974 31 Q CA 0.875 56.646 55.803 -0.052 0.000 0.840 31 Q CB -0.290 28.399 28.738 -0.080 0.000 0.898 31 Q HN 0.546 nan 8.270 nan 0.000 0.430 32 M N 0.317 119.917 119.600 -0.001 0.000 2.691 32 M HA 0.017 4.499 4.480 0.005 0.000 0.227 32 M C -0.152 176.238 176.300 0.149 0.000 1.120 32 M CA 0.439 55.766 55.300 0.045 0.000 1.034 32 M CB 0.106 32.771 32.600 0.108 0.000 1.675 32 M HN -0.226 nan 8.290 nan 0.000 0.514 33 T N 1.159 115.784 114.554 0.118 0.000 2.786 33 T HA 0.303 4.656 4.350 0.005 0.000 0.283 33 T C -0.675 174.006 174.700 -0.032 0.000 0.992 33 T CA -0.570 61.599 62.100 0.116 0.000 0.954 33 T CB 1.848 70.873 68.868 0.261 0.000 0.934 33 T HN 0.237 nan 8.240 nan 0.000 0.440 34 Q N 4.379 124.115 119.800 -0.106 0.000 2.333 34 Q HA 0.673 5.016 4.340 0.005 0.000 0.268 34 Q C -0.956 174.942 176.000 -0.170 0.000 1.007 34 Q CA -0.803 54.934 55.803 -0.111 0.000 0.810 34 Q CB 0.903 29.616 28.738 -0.042 0.000 1.264 34 Q HN 0.831 nan 8.270 nan 0.000 0.452 35 I N -0.528 119.924 120.570 -0.198 0.000 2.846 35 I HA 0.579 4.752 4.170 0.005 0.000 0.307 35 I C -0.357 175.608 176.117 -0.253 0.000 1.053 35 I CA -1.059 60.105 61.300 -0.227 0.000 1.050 35 I CB 2.082 39.929 38.000 -0.255 0.000 1.239 35 I HN 0.419 nan 8.210 nan 0.000 0.439 36 E N 3.463 123.522 120.200 -0.235 0.000 2.338 36 E HA 0.076 4.428 4.350 0.005 0.000 0.272 36 E C 0.929 177.444 176.600 -0.142 0.000 1.029 36 E CA -0.047 56.256 56.400 -0.161 0.000 0.872 36 E CB 1.455 31.079 29.700 -0.128 0.000 1.015 36 E HN 0.798 nan 8.360 nan 0.000 0.417 37 R N 3.988 124.426 120.500 -0.104 0.000 2.140 37 R HA -0.209 4.134 4.340 0.005 0.000 0.250 37 R C 2.026 178.350 176.300 0.040 0.000 1.150 37 R CA 1.604 57.656 56.100 -0.080 0.000 0.966 37 R CB -0.621 29.837 30.300 0.263 0.000 0.869 37 R HN 0.468 nan 8.270 nan 0.000 0.445 38 L N 1.549 122.823 121.223 0.084 0.000 2.263 38 L HA -0.124 4.218 4.340 0.005 0.000 0.216 38 L C 2.201 179.109 176.870 0.063 0.000 1.111 38 L CA 1.254 56.150 54.840 0.093 0.000 0.773 38 L CB -0.231 41.893 42.059 0.107 0.000 0.906 38 L HN 0.387 nan 8.230 nan 0.000 0.439 39 V N -4.283 115.643 119.914 0.020 0.000 3.578 39 V HA 0.455 4.578 4.120 0.005 0.000 0.290 39 V C 0.894 176.980 176.094 -0.014 0.000 1.376 39 V CA -0.123 62.203 62.300 0.043 0.000 1.083 39 V CB -0.225 31.657 31.823 0.098 0.000 0.911 39 V HN 0.126 nan 8.190 nan 0.000 0.433 40 A N 0.306 123.072 122.820 -0.090 0.000 2.340 40 A HA 0.736 5.059 4.320 0.005 0.000 0.268 40 A C 0.217 177.814 177.584 0.020 0.000 1.100 40 A CA 0.224 52.156 52.037 -0.174 0.000 0.803 40 A CB 0.720 19.431 19.000 -0.482 0.000 1.043 40 A HN 0.484 nan 8.150 nan 0.000 0.488 41 T N 2.038 116.594 114.554 0.004 0.000 2.894 41 T HA 0.507 4.860 4.350 0.005 0.000 0.309 41 T C -2.257 172.487 174.700 0.073 0.000 1.208 41 T CA -0.682 61.469 62.100 0.085 0.000 1.016 41 T CB 1.910 70.806 68.868 0.046 0.000 1.192 41 T HN 0.312 nan 8.240 nan 0.000 0.491 42 P HA -0.068 nan 4.420 nan 0.000 0.216 42 P C 0.923 178.227 177.300 0.007 0.000 1.150 42 P CA 1.001 64.143 63.100 0.069 0.000 0.837 42 P CB 0.261 31.995 31.700 0.056 0.000 0.786 43 D N -0.873 119.525 120.400 -0.004 0.000 2.097 43 D HA -0.089 4.553 4.640 0.005 0.000 0.197 43 D C 2.079 178.337 176.300 -0.070 0.000 0.984 43 D CA 1.076 55.055 54.000 -0.035 0.000 0.826 43 D CB -0.654 40.136 40.800 -0.017 0.000 0.973 43 D HN -0.050 nan 8.370 nan 0.000 0.460 44 V N 1.504 121.381 119.914 -0.062 0.000 2.324 44 V HA -0.250 3.873 4.120 0.005 0.000 0.250 44 V C 2.666 178.641 176.094 -0.198 0.000 1.060 44 V CA 1.356 63.584 62.300 -0.119 0.000 1.042 44 V CB -0.480 31.238 31.823 -0.174 0.000 0.650 44 V HN 0.149 nan 8.190 nan 0.000 0.450 45 L N -0.922 120.201 121.223 -0.167 0.000 2.109 45 L HA -0.113 4.230 4.340 0.005 0.000 0.207 45 L C 2.676 179.457 176.870 -0.149 0.000 1.086 45 L CA 1.620 56.363 54.840 -0.161 0.000 0.760 45 L CB -0.511 41.488 42.059 -0.100 0.000 0.910 45 L HN 0.200 nan 8.230 nan 0.000 0.437 46 R N -0.009 120.406 120.500 -0.142 0.000 2.055 46 R HA -0.127 4.216 4.340 0.005 0.000 0.226 46 R C 1.880 177.943 176.300 -0.394 0.000 1.135 46 R CA 1.605 57.593 56.100 -0.186 0.000 0.959 46 R CB -0.080 30.153 30.300 -0.111 0.000 0.854 46 R HN 0.287 nan 8.270 nan 0.000 0.431 47 D N 0.403 120.604 120.400 -0.331 0.000 2.144 47 D HA -0.127 4.516 4.640 0.005 0.000 0.199 47 D C 1.094 177.059 176.300 -0.558 0.000 0.984 47 D CA 1.042 54.786 54.000 -0.427 0.000 0.834 47 D CB -0.355 40.329 40.800 -0.194 0.000 0.955 47 D HN 0.286 nan 8.370 nan 0.000 0.465 48 N N 0.124 118.639 118.700 -0.309 0.000 2.398 48 N HA -0.023 4.720 4.740 0.005 0.000 0.188 48 N C -0.096 175.424 175.510 0.016 0.000 1.122 48 N CA -0.063 52.918 53.050 -0.116 0.000 0.866 48 N CB 0.267 38.748 38.487 -0.010 0.000 0.970 48 N HN 0.152 nan 8.380 nan 0.000 0.462 49 F N 0.513 120.448 119.950 -0.026 0.000 3.048 49 F HA -0.219 4.310 4.527 0.004 0.000 0.269 49 F C 0.273 176.039 175.800 -0.056 0.000 0.960 49 F CA -0.050 57.928 58.000 -0.036 0.000 0.909 49 F CB -1.717 37.268 39.000 -0.026 0.000 0.837 49 F HN 0.045 nan 8.300 nan 0.000 0.768 50 I N 0.827 121.408 120.570 0.017 0.000 2.710 50 I HA -0.050 4.123 4.170 0.005 0.000 0.286 50 I C 1.687 177.777 176.117 -0.045 0.000 1.181 50 I CA 1.314 62.589 61.300 -0.041 0.000 1.430 50 I CB 0.483 38.387 38.000 -0.159 0.000 1.367 50 I HN 0.410 nan 8.210 nan 0.000 0.577 51 G N 4.098 112.866 108.800 -0.053 0.000 2.796 51 G HA2 0.098 4.061 3.960 0.005 0.000 0.210 51 G HA3 0.098 4.061 3.960 0.005 0.000 0.210 51 G C 0.517 175.353 174.900 -0.107 0.000 1.146 51 G CA 0.316 45.364 45.100 -0.087 0.000 0.779 51 G HN 0.591 nan 8.290 nan 0.000 0.535 52 S N -1.380 114.262 115.700 -0.097 0.000 2.565 52 S HA 0.718 5.191 4.470 0.005 0.000 0.269 52 S C -1.918 172.601 174.600 -0.135 0.000 1.153 52 S CA -0.636 57.521 58.200 -0.073 0.000 0.835 52 S CB 1.197 64.394 63.200 -0.005 0.000 1.122 52 S HN 0.063 nan 8.310 nan 0.000 0.462 53 L N 2.589 123.692 121.223 -0.199 0.000 2.350 53 L HA 0.841 5.184 4.340 0.005 0.000 0.260 53 L C -0.996 175.498 176.870 -0.626 0.000 1.015 53 L CA -0.757 53.835 54.840 -0.415 0.000 0.821 53 L CB 2.015 43.759 42.059 -0.524 0.000 1.370 53 L HN 0.810 nan 8.230 nan 0.000 0.416 54 L N -1.538 119.353 121.223 -0.553 0.000 2.415 54 L HA 0.784 5.127 4.340 0.005 0.000 0.256 54 L C -0.946 175.827 176.870 -0.161 0.000 1.010 54 L CA -0.362 54.236 54.840 -0.404 0.000 0.826 54 L CB 2.436 44.549 42.059 0.089 0.000 1.405 54 L HN 0.406 nan 8.230 nan 0.000 0.410 55 S N 0.552 116.337 115.700 0.141 0.000 2.433 55 S HA 0.739 5.212 4.470 0.005 0.000 0.310 55 S C 0.139 174.982 174.600 0.406 0.000 1.097 55 S CA -0.122 58.314 58.200 0.394 0.000 1.103 55 S CB 1.061 64.630 63.200 0.614 0.000 0.992 55 S HN 1.055 nan 8.310 nan 0.000 0.469 56 G N 2.141 111.199 108.800 0.429 0.000 2.580 56 G HA2 0.513 4.476 3.960 0.005 0.000 0.278 56 G HA3 0.513 4.476 3.960 0.005 0.000 0.278 56 G C 0.417 175.488 174.900 0.284 0.000 1.212 56 G CA -0.535 44.778 45.100 0.356 0.000 0.939 56 G HN 0.853 nan 8.290 nan 0.000 0.513 57 G N -1.578 107.385 108.800 0.272 0.000 2.265 57 G HA2 0.483 4.446 3.960 0.005 0.000 0.240 57 G HA3 0.483 4.446 3.960 0.005 0.000 0.240 57 G C 1.292 176.356 174.900 0.272 0.000 1.270 57 G CA 0.771 46.123 45.100 0.419 0.000 0.901 57 G HN 2.002 nan 8.290 nan 0.000 0.507 58 G N 1.021 110.016 108.800 0.324 0.000 2.205 58 G HA2 -0.278 3.685 3.960 0.005 0.000 0.261 58 G HA3 -0.278 3.685 3.960 0.005 0.000 0.261 58 G C 0.951 176.000 174.900 0.248 0.000 0.980 58 G CA 0.774 46.032 45.100 0.263 0.000 0.632 58 G HN 1.567 nan 8.290 nan 0.000 0.533 59 S N 0.790 116.657 115.700 0.279 0.000 2.701 59 S HA 0.562 5.035 4.470 0.005 0.000 0.317 59 S C 0.426 175.206 174.600 0.299 0.000 1.149 59 S CA 0.276 58.635 58.200 0.265 0.000 1.052 59 S CB -0.173 63.206 63.200 0.299 0.000 1.257 59 S HN 1.676 nan 8.310 nan 0.000 0.532 60 V N 3.513 123.539 119.914 0.186 0.000 3.102 60 V HA 0.698 4.821 4.120 0.005 0.000 0.312 60 V C -2.003 173.995 176.094 -0.160 0.000 1.135 60 V CA -2.027 60.285 62.300 0.020 0.000 1.022 60 V CB 0.961 32.920 31.823 0.227 0.000 1.056 60 V HN 0.411 nan 8.190 nan 0.000 0.436 61 P HA 0.029 nan 4.420 nan 0.000 0.214 61 P C 0.152 177.343 177.300 -0.181 0.000 1.163 61 P CA 1.226 64.126 63.100 -0.334 0.000 0.883 61 P CB 0.108 31.493 31.700 -0.526 0.000 0.788 62 R N -2.632 117.774 120.500 -0.157 0.000 2.734 62 R HA 0.403 4.746 4.340 0.005 0.000 0.271 62 R C -0.633 175.651 176.300 -0.026 0.000 1.021 62 R CA -1.111 54.945 56.100 -0.074 0.000 0.893 62 R CB 0.882 31.134 30.300 -0.081 0.000 1.244 62 R HN -0.310 nan 8.270 nan 0.000 0.464 63 K N 0.567 120.961 120.400 -0.009 0.000 2.295 63 K HA 0.190 4.513 4.320 0.005 0.000 0.270 63 K C 0.873 177.441 176.600 -0.053 0.000 1.011 63 K CA 0.883 57.175 56.287 0.008 0.000 0.953 63 K CB 0.462 32.956 32.500 -0.011 0.000 0.956 63 K HN 0.826 nan 8.250 nan 0.000 0.477 64 G N 0.988 109.737 108.800 -0.084 0.000 2.233 64 G HA2 -0.301 3.662 3.960 0.005 0.000 0.270 64 G HA3 -0.301 3.662 3.960 0.005 0.000 0.270 64 G C 0.336 175.186 174.900 -0.082 0.000 1.011 64 G CA 0.645 45.563 45.100 -0.304 0.000 0.762 64 G HN 0.820 nan 8.290 nan 0.000 0.511 65 A N 0.048 122.903 122.820 0.059 0.000 2.483 65 A HA 0.650 4.972 4.320 0.005 0.000 0.238 65 A C 1.216 178.924 177.584 0.206 0.000 1.070 65 A CA 1.123 53.198 52.037 0.063 0.000 0.770 65 A CB 0.201 19.163 19.000 -0.063 0.000 1.008 65 A HN 1.765 nan 8.150 nan 0.000 0.497 66 T N -0.936 113.709 114.554 0.151 0.000 2.771 66 T HA 0.508 4.861 4.350 0.005 0.000 0.290 66 T C 1.326 176.200 174.700 0.290 0.000 1.005 66 T CA 0.047 62.265 62.100 0.197 0.000 0.944 66 T CB 0.789 69.724 68.868 0.112 0.000 1.147 66 T HN 1.206 nan 8.240 nan 0.000 0.534 67 A N 0.185 123.133 122.820 0.213 0.000 2.014 67 A HA 0.038 4.361 4.320 0.005 0.000 0.218 67 A C 2.245 179.942 177.584 0.188 0.000 1.163 67 A CA 0.832 52.995 52.037 0.210 0.000 0.652 67 A CB -0.678 18.384 19.000 0.102 0.000 0.808 67 A HN 0.857 nan 8.150 nan 0.000 0.449 68 K N -0.109 120.364 120.400 0.121 0.000 2.296 68 K HA -0.027 4.296 4.320 0.005 0.000 0.200 68 K C 1.502 178.135 176.600 0.055 0.000 1.048 68 K CA 0.966 57.300 56.287 0.077 0.000 0.966 68 K CB -0.009 32.517 32.500 0.043 0.000 0.754 68 K HN 0.585 nan 8.250 nan 0.000 0.466 69 E N 0.280 120.511 120.200 0.052 0.000 2.072 69 E HA -0.156 4.197 4.350 0.005 0.000 0.191 69 E C 1.678 178.218 176.600 -0.100 0.000 0.985 69 E CA 1.039 57.408 56.400 -0.052 0.000 0.801 69 E CB -0.055 29.591 29.700 -0.090 0.000 0.750 69 E HN 0.357 nan 8.360 nan 0.000 0.452 70 W N 1.812 123.093 121.300 -0.032 0.000 2.378 70 W HA -0.145 4.517 4.660 0.004 0.000 0.313 70 W C 2.493 178.958 176.519 -0.089 0.000 1.197 70 W CA 0.989 58.301 57.345 -0.056 0.000 1.304 70 W CB -0.301 29.135 29.460 -0.040 0.000 1.148 70 W HN 0.071 nan 8.180 nan 0.000 0.494 71 Q N -0.141 119.765 119.800 0.175 0.000 2.112 71 Q HA -0.232 4.111 4.340 0.005 0.000 0.206 71 Q C 1.617 177.630 176.000 0.022 0.000 0.987 71 Q CA 1.744 57.596 55.803 0.082 0.000 0.858 71 Q CB -0.580 28.203 28.738 0.076 0.000 0.905 71 Q HN 0.264 nan 8.270 nan 0.000 0.420 72 D N 0.316 120.709 120.400 -0.012 0.000 2.144 72 D HA -0.156 4.487 4.640 0.005 0.000 0.199 72 D C 1.711 177.926 176.300 -0.141 0.000 0.984 72 D CA 1.006 54.969 54.000 -0.062 0.000 0.834 72 D CB -0.159 40.595 40.800 -0.077 0.000 0.955 72 D HN 0.231 nan 8.370 nan 0.000 0.465 73 M N 0.087 119.571 119.600 -0.194 0.000 2.200 73 M HA -0.115 4.368 4.480 0.005 0.000 0.265 73 M C 1.693 177.780 176.300 -0.355 0.000 1.066 73 M CA 1.000 56.083 55.300 -0.362 0.000 1.127 73 M CB 0.232 32.626 32.600 -0.344 0.000 1.379 73 M HN -0.152 nan 8.290 nan 0.000 0.420 74 V N 0.802 120.637 119.914 -0.132 0.000 2.379 74 V HA -0.238 3.884 4.120 0.005 0.000 0.245 74 V C 1.800 177.930 176.094 0.061 0.000 1.044 74 V CA 1.898 64.188 62.300 -0.017 0.000 1.036 74 V CB -0.904 30.848 31.823 -0.118 0.000 0.664 74 V HN 0.427 nan 8.190 nan 0.000 0.453 75 D N 0.827 121.255 120.400 0.047 0.000 2.117 75 D HA -0.113 4.529 4.640 0.005 0.000 0.197 75 D C 2.221 178.605 176.300 0.139 0.000 0.987 75 D CA 1.630 55.731 54.000 0.170 0.000 0.829 75 D CB -0.622 40.293 40.800 0.191 0.000 0.961 75 D HN 0.447 nan 8.370 nan 0.000 0.460 76 G N -0.121 108.662 108.800 -0.029 0.000 2.446 76 G HA2 -0.260 3.703 3.960 0.005 0.000 0.217 76 G HA3 -0.260 3.703 3.960 0.005 0.000 0.217 76 G C 1.621 176.529 174.900 0.014 0.000 1.168 76 G CA 0.338 45.383 45.100 -0.092 0.000 0.771 76 G HN 0.283 nan 8.290 nan 0.000 0.551 77 F N 0.203 120.182 119.950 0.049 0.000 2.146 77 F HA -0.061 4.468 4.527 0.004 0.000 0.298 77 F C 2.982 178.798 175.800 0.026 0.000 1.096 77 F CA 1.075 59.101 58.000 0.044 0.000 1.275 77 F CB -0.096 38.957 39.000 0.088 0.000 1.008 77 F HN 0.131 nan 8.300 nan 0.000 0.480 78 Q N 1.341 121.267 119.800 0.210 0.000 2.096 78 Q HA -0.212 4.131 4.340 0.005 0.000 0.204 78 Q C 1.863 177.900 176.000 0.062 0.000 0.982 78 Q CA 1.745 57.563 55.803 0.026 0.000 0.850 78 Q CB -0.244 28.370 28.738 -0.207 0.000 0.901 78 Q HN 0.243 nan 8.270 nan 0.000 0.422 79 K N -0.687 119.836 120.400 0.206 0.000 2.063 79 K HA -0.154 4.169 4.320 0.005 0.000 0.208 79 K C 1.987 178.657 176.600 0.117 0.000 1.048 79 K CA 1.186 57.602 56.287 0.215 0.000 0.928 79 K CB -0.314 32.292 32.500 0.176 0.000 0.713 79 K HN 0.308 nan 8.250 nan 0.000 0.442 80 A N 0.974 123.854 122.820 0.100 0.000 1.865 80 A HA -0.222 4.101 4.320 0.005 0.000 0.217 80 A C 2.456 180.060 177.584 0.035 0.000 1.191 80 A CA 1.773 53.847 52.037 0.062 0.000 0.623 80 A CB -1.102 17.942 19.000 0.073 0.000 0.826 80 A HN 0.451 nan 8.150 nan 0.000 0.444 81 C N -0.904 118.412 119.300 0.027 0.000 2.413 81 C HA -0.133 4.330 4.460 0.005 0.000 0.277 81 C C 2.775 177.769 174.990 0.005 0.000 1.228 81 C CA 1.375 60.391 59.018 -0.002 0.000 1.731 81 C CB -1.087 26.630 27.740 -0.037 0.000 2.042 81 C HN 0.578 nan 8.230 nan 0.000 0.468 82 M N 1.790 121.394 119.600 0.008 0.000 2.530 82 M HA -0.067 4.416 4.480 0.005 0.000 0.261 82 M C 1.928 178.269 176.300 0.069 0.000 1.067 82 M CA 1.334 56.653 55.300 0.031 0.000 1.071 82 M CB -1.398 31.253 32.600 0.085 0.000 1.405 82 M HN 0.615 nan 8.290 nan 0.000 0.478 83 S N -0.656 115.082 115.700 0.064 0.000 2.622 83 S HA 0.092 4.565 4.470 0.005 0.000 0.236 83 S C 0.701 175.340 174.600 0.065 0.000 0.956 83 S CA -0.344 57.893 58.200 0.063 0.000 0.971 83 S CB -0.760 62.470 63.200 0.050 0.000 0.782 83 S HN 0.483 nan 8.310 nan 0.000 0.468 84 T N -1.148 113.459 114.554 0.089 0.000 2.824 84 T HA 0.393 4.746 4.350 0.005 0.000 0.277 84 T C 0.970 175.772 174.700 0.170 0.000 0.975 84 T CA -0.941 61.247 62.100 0.146 0.000 0.966 84 T CB 1.103 70.118 68.868 0.245 0.000 1.054 84 T HN 0.248 nan 8.240 nan 0.000 0.533 85 R N -0.465 120.170 120.500 0.225 0.000 2.127 85 R HA -0.000 4.342 4.340 0.005 0.000 0.238 85 R C 1.670 178.066 176.300 0.159 0.000 1.134 85 R CA 1.309 57.512 56.100 0.172 0.000 0.975 85 R CB -0.455 29.948 30.300 0.171 0.000 0.865 85 R HN 0.738 nan 8.270 nan 0.000 0.447 86 L N -0.702 120.620 121.223 0.165 0.000 2.590 86 L HA 0.269 4.611 4.340 0.005 0.000 0.227 86 L C 0.888 177.911 176.870 0.255 0.000 1.099 86 L CA 0.256 55.217 54.840 0.202 0.000 0.872 86 L CB 0.389 42.487 42.059 0.066 0.000 1.088 86 L HN 0.427 nan 8.230 nan 0.000 0.479 87 G N 2.231 111.134 108.800 0.171 0.000 2.393 87 G HA2 -0.290 3.673 3.960 0.005 0.000 0.299 87 G HA3 -0.290 3.673 3.960 0.005 0.000 0.299 87 G C 0.057 174.993 174.900 0.059 0.000 0.990 87 G CA 0.073 45.245 45.100 0.121 0.000 1.118 87 G HN 0.332 nan 8.290 nan 0.000 0.513 88 I N 2.301 122.867 120.570 -0.005 0.000 2.337 88 I HA 0.212 4.385 4.170 0.005 0.000 0.291 88 I C -1.271 174.629 176.117 -0.361 0.000 1.046 88 I CA -2.170 59.002 61.300 -0.214 0.000 1.324 88 I CB 1.225 39.166 38.000 -0.098 0.000 1.409 88 I HN 0.072 nan 8.210 nan 0.000 0.494 89 P HA 0.081 nan 4.420 nan 0.000 0.271 89 P C -0.708 176.381 177.300 -0.351 0.000 1.218 89 P CA -0.465 62.357 63.100 -0.462 0.000 0.780 89 P CB 0.957 32.312 31.700 -0.575 0.000 0.901 90 M N 2.826 122.300 119.600 -0.211 0.000 2.283 90 M HA 0.506 4.988 4.480 0.005 0.000 0.314 90 M C -0.333 175.915 176.300 -0.087 0.000 1.153 90 M CA -0.312 54.909 55.300 -0.133 0.000 1.084 90 M CB 0.422 32.979 32.600 -0.073 0.000 1.468 90 M HN 0.274 nan 8.290 nan 0.000 0.474 91 I N 1.697 122.250 120.570 -0.027 0.000 2.404 91 I HA 0.438 4.611 4.170 0.005 0.000 0.293 91 I C -1.943 174.278 176.117 0.173 0.000 0.992 91 I CA -0.823 60.514 61.300 0.061 0.000 1.149 91 I CB 1.040 39.070 38.000 0.050 0.000 1.315 91 I HN 0.817 nan 8.210 nan 0.000 0.446 92 Y N 6.653 127.011 120.300 0.097 0.000 2.342 92 Y HA 0.657 5.210 4.550 0.005 0.000 0.338 92 Y C 0.317 176.275 175.900 0.096 0.000 0.965 92 Y CA -0.478 57.687 58.100 0.108 0.000 1.159 92 Y CB 1.381 39.906 38.460 0.108 0.000 1.157 92 Y HN 0.628 nan 8.280 nan 0.000 0.486 93 G N 5.740 114.523 108.800 -0.028 0.000 2.434 93 G HA2 0.654 4.617 3.960 0.005 0.000 0.330 93 G HA3 0.654 4.617 3.960 0.005 0.000 0.330 93 G C -1.733 172.885 174.900 -0.471 0.000 1.155 93 G CA -0.692 44.115 45.100 -0.489 0.000 0.917 93 G HN 0.762 nan 8.290 nan 0.000 0.493 94 I N -0.560 119.506 120.570 -0.840 0.000 2.800 94 I HA 0.169 4.342 4.170 0.005 0.000 0.294 94 I C -1.350 174.577 176.117 -0.317 0.000 1.538 94 I CA -0.871 60.267 61.300 -0.269 0.000 1.010 94 I CB 2.374 40.379 38.000 0.008 0.000 1.381 94 I HN 0.382 nan 8.210 nan 0.000 0.462 95 D N 6.882 127.296 120.400 0.024 0.000 2.498 95 D HA 0.210 4.853 4.640 0.005 0.000 0.229 95 D C 0.008 176.246 176.300 -0.103 0.000 1.188 95 D CA 0.162 54.118 54.000 -0.073 0.000 1.028 95 D CB 0.831 41.457 40.800 -0.290 0.000 1.087 95 D HN 0.480 nan 8.370 nan 0.000 0.510 96 A N 2.099 124.845 122.820 -0.123 0.000 2.923 96 A HA 0.239 4.562 4.320 0.005 0.000 0.306 96 A C 1.353 178.896 177.584 -0.069 0.000 1.542 96 A CA -0.588 51.397 52.037 -0.087 0.000 1.225 96 A CB -0.110 18.823 19.000 -0.113 0.000 1.147 96 A HN 0.390 nan 8.150 nan 0.000 0.542 97 V N -0.360 119.535 119.914 -0.031 0.000 3.125 97 V HA 0.163 4.286 4.120 0.005 0.000 0.249 97 V C 0.783 176.971 176.094 0.156 0.000 1.113 97 V CA 1.598 63.894 62.300 -0.007 0.000 1.106 97 V CB -1.262 30.456 31.823 -0.176 0.000 0.768 97 V HN 0.948 nan 8.190 nan 0.000 0.468 98 H N -1.289 117.779 119.070 -0.003 0.000 2.825 98 H HA 0.729 5.288 4.556 0.005 0.000 0.226 98 H C 0.266 175.679 175.328 0.142 0.000 1.414 98 H CA -0.174 55.880 56.048 0.010 0.000 1.198 98 H CB 0.342 29.977 29.762 -0.211 0.000 2.013 98 H HN 0.715 nan 8.280 nan 0.000 0.530 99 G N 1.184 110.077 108.800 0.156 0.000 2.422 99 G HA2 -0.224 3.739 3.960 0.005 0.000 0.607 99 G HA3 -0.224 3.739 3.960 0.005 0.000 0.607 99 G C -0.897 174.002 174.900 -0.002 0.000 1.270 99 G CA -0.649 44.566 45.100 0.192 0.000 0.992 99 G HN 0.479 nan 8.290 nan 0.000 0.499 100 Q N 0.845 120.621 119.800 -0.040 0.000 3.254 100 Q HA 0.263 4.606 4.340 0.005 0.000 0.315 100 Q C 1.744 177.671 176.000 -0.122 0.000 1.405 100 Q CA 0.887 56.622 55.803 -0.114 0.000 0.966 100 Q CB -1.012 27.632 28.738 -0.158 0.000 1.706 100 Q HN 0.679 nan 8.270 nan 0.000 0.525 101 N N 0.108 118.761 118.700 -0.078 0.000 2.430 101 N HA -0.222 4.521 4.740 0.005 0.000 0.186 101 N C 0.491 176.033 175.510 0.054 0.000 1.032 101 N CA 1.771 54.791 53.050 -0.051 0.000 0.893 101 N CB -0.124 38.345 38.487 -0.030 0.000 0.957 101 N HN 0.466 nan 8.380 nan 0.000 0.442 102 N N -0.856 117.884 118.700 0.067 0.000 2.424 102 N HA 0.081 4.824 4.740 0.005 0.000 0.178 102 N C -0.772 174.837 175.510 0.165 0.000 1.060 102 N CA 0.035 53.189 53.050 0.174 0.000 0.901 102 N CB 0.479 39.115 38.487 0.250 0.000 0.979 102 N HN 0.009 nan 8.380 nan 0.000 0.451 103 V N 1.839 121.742 119.914 -0.018 0.000 2.461 103 V HA 0.031 4.154 4.120 0.005 0.000 0.275 103 V C -0.256 175.891 176.094 0.088 0.000 1.047 103 V CA -0.704 61.595 62.300 -0.001 0.000 0.955 103 V CB 0.002 31.607 31.823 -0.363 0.000 0.988 103 V HN 0.178 nan 8.190 nan 0.000 0.471 104 Y N 4.340 124.713 120.300 0.123 0.000 2.610 104 Y HA 0.389 4.941 4.550 0.004 0.000 0.332 104 Y C 1.368 177.289 175.900 0.034 0.000 1.201 104 Y CA 1.393 59.539 58.100 0.078 0.000 1.465 104 Y CB 0.568 39.090 38.460 0.104 0.000 1.283 104 Y HN 0.952 nan 8.280 nan 0.000 0.563 105 G N 3.039 111.391 108.800 -0.747 0.000 2.205 105 G HA2 -0.287 3.676 3.960 0.005 0.000 0.261 105 G HA3 -0.287 3.676 3.960 0.005 0.000 0.261 105 G C 0.316 175.072 174.900 -0.239 0.000 0.980 105 G CA 0.081 44.900 45.100 -0.468 0.000 0.632 105 G HN 1.308 nan 8.290 nan 0.000 0.533 106 A N 0.281 122.988 122.820 -0.188 0.000 2.445 106 A HA 0.591 4.914 4.320 0.005 0.000 0.242 106 A C 0.849 178.322 177.584 -0.185 0.000 1.075 106 A CA 1.195 53.145 52.037 -0.145 0.000 0.777 106 A CB 0.229 19.148 19.000 -0.136 0.000 1.013 106 A HN 0.806 nan 8.150 nan 0.000 0.493 107 T N 3.341 117.797 114.554 -0.164 0.000 2.799 107 T HA 0.291 4.644 4.350 0.005 0.000 0.296 107 T C 0.182 174.633 174.700 -0.415 0.000 0.947 107 T CA 0.273 62.189 62.100 -0.306 0.000 1.141 107 T CB -0.228 68.438 68.868 -0.336 0.000 0.891 107 T HN 0.329 nan 8.240 nan 0.000 0.533 108 I N 5.218 125.522 120.570 -0.444 0.000 2.297 108 I HA 0.317 4.490 4.170 0.005 0.000 0.291 108 I C 0.180 176.025 176.117 -0.453 0.000 1.033 108 I CA -0.976 60.055 61.300 -0.449 0.000 1.253 108 I CB -0.258 37.505 38.000 -0.395 0.000 1.396 108 I HN 0.498 nan 8.210 nan 0.000 0.476 109 F N 7.209 127.065 119.950 -0.157 0.000 2.378 109 F HA 0.357 4.887 4.527 0.005 0.000 0.319 109 F C -1.652 174.170 175.800 0.036 0.000 1.155 109 F CA -1.981 55.992 58.000 -0.045 0.000 1.157 109 F CB -0.237 38.745 39.000 -0.030 0.000 1.252 109 F HN 0.291 nan 8.300 nan 0.000 0.550 110 P HA -0.020 nan 4.420 nan 0.000 0.265 110 P C -0.379 177.035 177.300 0.190 0.000 1.193 110 P CA 0.336 63.550 63.100 0.189 0.000 0.765 110 P CB 0.238 32.048 31.700 0.185 0.000 0.823 111 H N 2.529 121.667 119.070 0.114 0.000 2.822 111 H HA 0.010 4.569 4.556 0.005 0.000 0.373 111 H C 1.472 176.812 175.328 0.020 0.000 1.223 111 H CA 0.503 56.547 56.048 -0.008 0.000 1.436 111 H CB 0.475 30.163 29.762 -0.124 0.000 1.439 111 H HN 0.414 nan 8.280 nan 0.000 0.618 112 N N 0.827 119.601 118.700 0.122 0.000 2.049 112 N HA -0.200 4.543 4.740 0.005 0.000 0.198 112 N C 2.062 177.556 175.510 -0.027 0.000 1.030 112 N CA 1.283 54.299 53.050 -0.058 0.000 0.870 112 N CB -0.631 37.562 38.487 -0.490 0.000 1.045 112 N HN 0.409 nan 8.380 nan 0.000 0.434 113 V N 0.706 120.549 119.914 -0.118 0.000 2.324 113 V HA -0.191 3.932 4.120 0.005 0.000 0.250 113 V C 2.031 177.834 176.094 -0.484 0.000 1.060 113 V CA 2.511 64.636 62.300 -0.291 0.000 1.042 113 V CB -1.091 30.509 31.823 -0.372 0.000 0.650 113 V HN 0.421 nan 8.190 nan 0.000 0.450 114 G N -0.681 107.901 108.800 -0.364 0.000 2.432 114 G HA2 -0.186 3.777 3.960 0.005 0.000 0.219 114 G HA3 -0.186 3.777 3.960 0.005 0.000 0.219 114 G C 1.520 176.404 174.900 -0.026 0.000 1.135 114 G CA 1.058 46.006 45.100 -0.254 0.000 0.767 114 G HN 0.552 nan 8.290 nan 0.000 0.550 115 L N 0.678 121.931 121.223 0.051 0.000 2.141 115 L HA 0.062 4.404 4.340 0.005 0.000 0.209 115 L C 3.114 180.031 176.870 0.077 0.000 1.094 115 L CA 0.781 55.688 54.840 0.113 0.000 0.763 115 L CB -0.555 41.628 42.059 0.208 0.000 0.908 115 L HN 0.308 nan 8.230 nan 0.000 0.437 116 G N -0.096 108.750 108.800 0.077 0.000 2.422 116 G HA2 -0.245 3.718 3.960 0.005 0.000 0.218 116 G HA3 -0.245 3.718 3.960 0.005 0.000 0.218 116 G C 1.758 176.661 174.900 0.005 0.000 1.146 116 G CA 0.716 45.838 45.100 0.037 0.000 0.769 116 G HN 0.449 nan 8.290 nan 0.000 0.547 117 A N 0.701 123.509 122.820 -0.020 0.000 2.076 117 A HA -0.030 4.293 4.320 0.005 0.000 0.220 117 A C 2.562 180.211 177.584 0.109 0.000 1.160 117 A CA 2.530 54.622 52.037 0.092 0.000 0.653 117 A CB -0.821 18.330 19.000 0.251 0.000 0.801 117 A HN 0.562 nan 8.150 nan 0.000 0.455 118 T N -4.467 110.131 114.554 0.074 0.000 3.014 118 T HA -0.022 4.330 4.350 0.005 0.000 0.263 118 T C 0.986 175.709 174.700 0.038 0.000 1.078 118 T CA 0.597 62.734 62.100 0.061 0.000 1.135 118 T CB -0.172 68.723 68.868 0.045 0.000 0.895 118 T HN 0.439 nan 8.240 nan 0.000 0.480 119 R N 1.308 121.820 120.500 0.020 0.000 3.627 119 R HA -0.133 4.210 4.340 0.005 0.000 0.281 119 R C -0.823 175.477 176.300 0.000 0.000 1.140 119 R CA 1.011 57.114 56.100 0.005 0.000 0.761 119 R CB -2.705 27.609 30.300 0.024 0.000 1.181 119 R HN 0.593 nan 8.270 nan 0.000 0.472 120 D N -0.224 120.173 120.400 -0.005 0.000 2.438 120 D HA 0.319 4.962 4.640 0.005 0.000 0.257 120 D C -1.753 174.539 176.300 -0.014 0.000 1.148 120 D CA -2.281 51.724 54.000 0.009 0.000 0.902 120 D CB 1.276 42.092 40.800 0.026 0.000 1.062 120 D HN -0.070 nan 8.370 nan 0.000 0.518 121 P HA -0.075 nan 4.420 nan 0.000 0.225 121 P C 1.028 178.335 177.300 0.012 0.000 1.156 121 P CA 0.402 63.472 63.100 -0.051 0.000 0.787 121 P CB 0.135 31.799 31.700 -0.059 0.000 0.802 122 Y N 0.782 121.041 120.300 -0.069 0.000 2.242 122 Y HA -0.103 4.449 4.550 0.004 0.000 0.291 122 Y C 1.987 177.852 175.900 -0.059 0.000 1.137 122 Y CA 0.951 59.015 58.100 -0.059 0.000 1.181 122 Y CB -0.979 37.455 38.460 -0.042 0.000 0.989 122 Y HN -0.194 nan 8.280 nan 0.000 0.527 123 L N -0.633 120.511 121.223 -0.133 0.000 2.056 123 L HA -0.114 4.229 4.340 0.005 0.000 0.207 123 L C 2.166 178.914 176.870 -0.204 0.000 1.078 123 L CA 1.691 56.408 54.840 -0.204 0.000 0.749 123 L CB -0.958 41.059 42.059 -0.069 0.000 0.901 123 L HN 0.059 nan 8.230 nan 0.000 0.433 124 V N 0.202 120.029 119.914 -0.144 0.000 2.392 124 V HA -0.326 3.797 4.120 0.005 0.000 0.249 124 V C 2.680 178.657 176.094 -0.195 0.000 1.059 124 V CA 2.217 64.427 62.300 -0.151 0.000 1.051 124 V CB -0.842 30.893 31.823 -0.147 0.000 0.658 124 V HN 0.566 nan 8.190 nan 0.000 0.455 125 K N 0.099 120.383 120.400 -0.194 0.000 2.097 125 K HA -0.184 4.139 4.320 0.005 0.000 0.206 125 K C 2.347 178.791 176.600 -0.259 0.000 1.049 125 K CA 1.407 57.583 56.287 -0.186 0.000 0.933 125 K CB -0.079 32.360 32.500 -0.102 0.000 0.717 125 K HN 0.346 nan 8.250 nan 0.000 0.442 126 R N 0.279 120.552 120.500 -0.378 0.000 2.115 126 R HA -0.001 4.341 4.340 0.005 0.000 0.230 126 R C 2.235 178.339 176.300 -0.326 0.000 1.111 126 R CA 1.277 57.158 56.100 -0.364 0.000 0.976 126 R CB -0.166 29.861 30.300 -0.455 0.000 0.870 126 R HN 0.252 nan 8.270 nan 0.000 0.445 127 I N -0.357 119.985 120.570 -0.380 0.000 2.252 127 I HA -0.139 4.034 4.170 0.005 0.000 0.245 127 I C 2.452 178.211 176.117 -0.597 0.000 1.102 127 I CA 1.352 62.260 61.300 -0.654 0.000 1.385 127 I CB -0.557 37.018 38.000 -0.708 0.000 1.064 127 I HN 0.305 nan 8.210 nan 0.000 0.414 128 G N 0.579 109.156 108.800 -0.372 0.000 2.422 128 G HA2 -0.218 3.745 3.960 0.005 0.000 0.218 128 G HA3 -0.218 3.745 3.960 0.005 0.000 0.218 128 G C 1.487 176.245 174.900 -0.237 0.000 1.146 128 G CA 0.601 45.541 45.100 -0.266 0.000 0.769 128 G HN 0.438 nan 8.290 nan 0.000 0.547 129 E N 0.673 120.735 120.200 -0.231 0.000 2.047 129 E HA 0.012 4.365 4.350 0.005 0.000 0.191 129 E C 2.961 179.422 176.600 -0.232 0.000 0.987 129 E CA 0.701 56.993 56.400 -0.180 0.000 0.799 129 E CB -0.223 29.391 29.700 -0.143 0.000 0.752 129 E HN 0.389 nan 8.360 nan 0.000 0.449 130 A N 1.290 123.908 122.820 -0.338 0.000 1.883 130 A HA -0.208 4.115 4.320 0.005 0.000 0.217 130 A C 2.434 179.756 177.584 -0.437 0.000 1.186 130 A CA 2.096 53.810 52.037 -0.538 0.000 0.624 130 A CB -1.106 17.595 19.000 -0.499 0.000 0.822 130 A HN 0.190 nan 8.150 nan 0.000 0.444 131 T N 0.389 114.723 114.554 -0.365 0.000 2.720 131 T HA -0.092 4.261 4.350 0.005 0.000 0.268 131 T C 2.200 176.805 174.700 -0.158 0.000 1.037 131 T CA 1.793 63.755 62.100 -0.230 0.000 1.144 131 T CB -0.522 68.189 68.868 -0.262 0.000 0.864 131 T HN 0.632 nan 8.240 nan 0.000 0.444 132 A N 1.311 124.040 122.820 -0.152 0.000 1.877 132 A HA -0.014 4.308 4.320 0.005 0.000 0.216 132 A C 2.332 179.870 177.584 -0.077 0.000 1.186 132 A CA 1.275 53.253 52.037 -0.097 0.000 0.620 132 A CB -0.919 18.034 19.000 -0.079 0.000 0.822 132 A HN 0.483 nan 8.150 nan 0.000 0.443 133 L N -0.643 120.528 121.223 -0.087 0.000 2.079 133 L HA -0.221 4.121 4.340 0.005 0.000 0.210 133 L C 2.589 179.456 176.870 -0.005 0.000 1.081 133 L CA 1.686 56.508 54.840 -0.029 0.000 0.752 133 L CB -0.609 41.452 42.059 0.003 0.000 0.896 133 L HN 0.495 nan 8.230 nan 0.000 0.433 134 E N -0.605 119.573 120.200 -0.036 0.000 2.216 134 E HA -0.119 4.234 4.350 0.005 0.000 0.192 134 E C 2.291 178.850 176.600 -0.069 0.000 0.988 134 E CA 0.783 57.177 56.400 -0.011 0.000 0.834 134 E CB 0.143 29.854 29.700 0.017 0.000 0.772 134 E HN 0.312 nan 8.360 nan 0.000 0.479 135 V N 1.432 121.294 119.914 -0.086 0.000 2.283 135 V HA -0.185 3.938 4.120 0.005 0.000 0.243 135 V C 2.227 178.274 176.094 -0.079 0.000 1.039 135 V CA 1.335 63.568 62.300 -0.111 0.000 1.016 135 V CB -0.335 31.430 31.823 -0.096 0.000 0.650 135 V HN 0.142 nan 8.190 nan 0.000 0.449 136 R N 0.391 120.864 120.500 -0.044 0.000 2.200 136 R HA -0.064 4.279 4.340 0.005 0.000 0.234 136 R C 2.206 178.501 176.300 -0.009 0.000 1.127 136 R CA 1.303 57.392 56.100 -0.019 0.000 0.989 136 R CB -1.126 29.169 30.300 -0.008 0.000 0.869 136 R HN 0.552 nan 8.270 nan 0.000 0.459 137 A N 0.474 123.286 122.820 -0.014 0.000 2.067 137 A HA -0.107 4.215 4.320 0.005 0.000 0.219 137 A C 1.911 179.496 177.584 0.002 0.000 1.158 137 A CA 1.802 53.841 52.037 0.003 0.000 0.661 137 A CB -0.384 18.620 19.000 0.007 0.000 0.801 137 A HN 0.437 nan 8.150 nan 0.000 0.452 138 T N -5.067 109.462 114.554 -0.041 0.000 3.069 138 T HA 0.427 4.780 4.350 0.005 0.000 0.252 138 T C 1.181 175.910 174.700 0.048 0.000 1.053 138 T CA 0.976 63.074 62.100 -0.004 0.000 0.964 138 T CB 0.142 68.845 68.868 -0.274 0.000 1.005 138 T HN 1.645 nan 8.240 nan 0.000 0.532 139 G N 1.301 110.109 108.800 0.014 0.000 2.137 139 G HA2 -0.181 3.782 3.960 0.005 0.000 0.237 139 G HA3 -0.181 3.782 3.960 0.005 0.000 0.237 139 G C -0.145 174.747 174.900 -0.014 0.000 1.002 139 G CA 0.022 45.131 45.100 0.014 0.000 0.702 139 G HN 0.653 nan 8.290 nan 0.000 0.515 140 I N -0.626 119.930 120.570 -0.023 0.000 2.525 140 I HA 0.465 4.638 4.170 0.005 0.000 0.301 140 I C 0.860 176.997 176.117 0.033 0.000 0.992 140 I CA -0.974 60.334 61.300 0.012 0.000 1.162 140 I CB 1.972 39.978 38.000 0.010 0.000 1.332 140 I HN 0.035 nan 8.210 nan 0.000 0.458 141 Q N 4.354 124.205 119.800 0.085 0.000 2.194 141 Q HA 0.271 4.614 4.340 0.005 0.000 0.214 141 Q C -0.960 175.119 176.000 0.132 0.000 0.838 141 Q CA 0.055 55.902 55.803 0.073 0.000 0.972 141 Q CB 0.707 29.479 28.738 0.057 0.000 1.131 141 Q HN 0.605 nan 8.270 nan 0.000 0.498 142 Y N -0.007 120.257 120.300 -0.060 0.000 2.362 142 Y HA 0.670 5.223 4.550 0.005 0.000 0.326 142 Y C -1.741 173.999 175.900 -0.266 0.000 1.083 142 Y CA -1.482 56.543 58.100 -0.124 0.000 1.073 142 Y CB 1.128 39.538 38.460 -0.084 0.000 1.211 142 Y HN -0.034 nan 8.280 nan 0.000 0.433 143 A N 5.998 128.775 122.820 -0.071 0.000 2.331 143 A HA 0.538 4.861 4.320 0.005 0.000 0.320 143 A C -1.422 175.988 177.584 -0.289 0.000 1.138 143 A CA -0.678 51.180 52.037 -0.298 0.000 0.790 143 A CB 0.331 19.250 19.000 -0.134 0.000 1.206 143 A HN 0.837 nan 8.150 nan 0.000 0.470 144 F N 2.266 122.041 119.950 -0.291 0.000 2.651 144 F HA 0.426 4.956 4.527 0.005 0.000 0.369 144 F C 1.048 176.724 175.800 -0.207 0.000 1.187 144 F CA 0.581 58.416 58.000 -0.275 0.000 1.335 144 F CB -0.009 38.820 39.000 -0.285 0.000 1.707 144 F HN 0.697 nan 8.300 nan 0.000 0.637 145 A N 2.268 125.093 122.820 0.009 0.000 2.604 145 A HA 0.719 5.041 4.320 0.005 0.000 0.295 145 A C -2.972 174.600 177.584 -0.020 0.000 1.067 145 A CA -1.542 50.469 52.037 -0.043 0.000 0.683 145 A CB 1.994 20.957 19.000 -0.062 0.000 1.281 145 A HN 0.056 nan 8.150 nan 0.000 0.407 146 P HA 0.401 nan 4.420 nan 0.000 0.285 146 P C -0.464 176.772 177.300 -0.106 0.000 1.269 146 P CA -0.543 62.533 63.100 -0.040 0.000 0.844 146 P CB 1.611 33.341 31.700 0.051 0.000 1.094 147 C N 4.813 124.018 119.300 -0.158 0.000 2.322 147 C HA 0.397 4.859 4.460 0.005 0.000 0.343 147 C C 1.529 176.434 174.990 -0.142 0.000 1.190 147 C CA -0.607 58.297 59.018 -0.189 0.000 1.704 147 C CB -2.578 25.058 27.740 -0.174 0.000 2.293 147 C HN 0.494 nan 8.230 nan 0.000 0.523 148 I N 3.965 124.475 120.570 -0.099 0.000 3.850 148 I HA 0.429 4.602 4.170 0.005 0.000 0.333 148 I C 0.995 177.123 176.117 0.020 0.000 1.511 148 I CA -0.326 60.945 61.300 -0.048 0.000 1.199 148 I CB -0.619 37.276 38.000 -0.175 0.000 1.217 148 I HN 0.604 nan 8.210 nan 0.000 0.423 149 A N 1.157 124.039 122.820 0.103 0.000 2.448 149 A HA 0.454 4.777 4.320 0.005 0.000 0.239 149 A C 0.305 178.001 177.584 0.186 0.000 1.080 149 A CA -0.011 52.150 52.037 0.207 0.000 0.779 149 A CB 0.538 19.760 19.000 0.369 0.000 1.026 149 A HN 0.303 nan 8.150 nan 0.000 0.499 150 V N 1.778 121.825 119.914 0.221 0.000 2.235 150 V HA 0.112 4.235 4.120 0.005 0.000 0.266 150 V C 0.263 176.472 176.094 0.192 0.000 1.055 150 V CA -0.672 61.737 62.300 0.182 0.000 0.844 150 V CB 0.191 32.090 31.823 0.126 0.000 1.097 150 V HN 0.990 nan 8.190 nan 0.000 0.453 151 c N 6.039 124.770 118.600 0.218 0.000 2.519 151 c HA 0.077 4.650 4.570 0.005 0.000 0.402 151 c C 1.779 175.963 174.090 0.156 0.000 1.475 151 c CA 0.193 56.667 56.329 0.242 0.000 1.504 151 c CB -0.739 41.984 42.510 0.354 0.000 2.454 151 c HN 0.823 nan 8.230 nan 0.000 0.615 152 R N 2.890 123.453 120.500 0.105 0.000 2.432 152 R HA 0.214 4.557 4.340 0.005 0.000 0.260 152 R C -0.296 176.055 176.300 0.086 0.000 0.935 152 R CA 0.035 56.192 56.100 0.095 0.000 1.080 152 R CB 0.180 30.538 30.300 0.097 0.000 1.155 152 R HN 0.757 nan 8.270 nan 0.000 0.531 153 D N 0.501 120.961 120.400 0.100 0.000 2.452 153 D HA 0.095 4.738 4.640 0.005 0.000 0.226 153 D C -2.269 174.115 176.300 0.140 0.000 1.366 153 D CA -1.477 52.576 54.000 0.088 0.000 0.986 153 D CB 2.263 43.085 40.800 0.036 0.000 1.420 153 D HN -0.164 nan 8.370 nan 0.000 0.583 154 P HA -0.000 nan 4.420 nan 0.000 0.239 154 P C 0.810 178.185 177.300 0.125 0.000 1.184 154 P CA 0.104 63.299 63.100 0.158 0.000 0.760 154 P CB 0.214 32.018 31.700 0.174 0.000 0.884 155 R N -1.835 118.717 120.500 0.086 0.000 2.323 155 R HA -0.020 4.323 4.340 0.005 0.000 0.198 155 R C 0.619 176.986 176.300 0.113 0.000 0.988 155 R CA -0.032 56.095 56.100 0.045 0.000 1.041 155 R CB -0.288 30.009 30.300 -0.005 0.000 0.926 155 R HN 0.228 nan 8.270 nan 0.000 0.476 156 W N 1.127 122.397 121.300 -0.049 0.000 2.356 156 W HA 0.169 4.832 4.660 0.005 0.000 0.311 156 W C 1.158 177.646 176.519 -0.052 0.000 1.328 156 W CA -1.006 56.309 57.345 -0.049 0.000 1.251 156 W CB 0.523 29.964 29.460 -0.031 0.000 1.280 156 W HN 0.073 nan 8.180 nan 0.000 0.524 157 G N 5.206 113.869 108.800 -0.228 0.000 2.517 157 G HA2 -0.289 3.674 3.960 0.005 0.000 0.222 157 G HA3 -0.289 3.674 3.960 0.005 0.000 0.222 157 G C 1.232 175.869 174.900 -0.437 0.000 1.109 157 G CA 0.627 45.529 45.100 -0.331 0.000 0.746 157 G HN 0.601 nan 8.290 nan 0.000 0.576 158 R N -0.781 119.007 120.500 -1.186 0.000 2.466 158 R HA 0.232 4.575 4.340 0.005 0.000 0.279 158 R C 1.605 177.159 176.300 -1.244 0.000 0.976 158 R CA -0.197 55.043 56.100 -1.433 0.000 1.081 158 R CB -0.492 28.808 30.300 -1.667 0.000 1.215 158 R HN 0.278 nan 8.270 nan 0.000 0.546 159 c N 1.484 119.723 118.600 -0.602 0.000 2.410 159 c HA -0.166 4.407 4.570 0.005 0.000 0.281 159 c C 2.441 176.436 174.090 -0.159 0.000 1.318 159 c CA 0.854 57.106 56.329 -0.127 0.000 1.776 159 c CB -0.825 41.752 42.510 0.111 0.000 1.942 159 c HN 0.686 nan 8.230 nan 0.000 0.508 160 Y N 0.980 121.183 120.300 -0.163 0.000 2.421 160 Y HA 0.035 4.588 4.550 0.004 0.000 0.292 160 Y C 1.841 177.584 175.900 -0.263 0.000 1.136 160 Y CA 1.373 59.349 58.100 -0.206 0.000 1.255 160 Y CB -1.267 37.036 38.460 -0.261 0.000 0.991 160 Y HN 0.380 nan 8.280 nan 0.000 0.552 161 E N 0.595 120.464 120.200 -0.552 0.000 2.502 161 E HA 0.027 4.380 4.350 0.005 0.000 0.194 161 E C 0.207 176.608 176.600 -0.332 0.000 1.062 161 E CA 0.406 56.572 56.400 -0.391 0.000 0.867 161 E CB 0.155 29.585 29.700 -0.449 0.000 0.888 161 E HN 0.278 nan 8.360 nan 0.000 0.510 162 S N -0.293 115.267 115.700 -0.234 0.000 2.429 162 S HA 0.167 4.639 4.470 0.005 0.000 0.302 162 S C 0.564 175.077 174.600 -0.146 0.000 1.115 162 S CA -0.649 57.469 58.200 -0.136 0.000 1.095 162 S CB 0.417 63.665 63.200 0.079 0.000 0.987 162 S HN 0.116 nan 8.310 nan 0.000 0.474 163 Y N 3.501 123.786 120.300 -0.026 0.000 2.207 163 Y HA 0.023 4.576 4.550 0.005 0.000 0.287 163 Y C 1.667 177.523 175.900 -0.072 0.000 1.156 163 Y CA 1.135 59.200 58.100 -0.058 0.000 1.182 163 Y CB 0.093 38.525 38.460 -0.047 0.000 0.979 163 Y HN 0.648 nan 8.280 nan 0.000 0.521 164 S N -1.488 114.290 115.700 0.131 0.000 2.611 164 S HA 0.130 4.603 4.470 0.005 0.000 0.268 164 S C 0.138 174.783 174.600 0.075 0.000 1.156 164 S CA -0.428 57.813 58.200 0.068 0.000 0.817 164 S CB 1.032 64.272 63.200 0.067 0.000 1.122 164 S HN 0.371 nan 8.310 nan 0.000 0.466 165 E N 0.730 120.971 120.200 0.068 0.000 2.481 165 E HA 0.035 4.388 4.350 0.005 0.000 0.195 165 E C -0.276 176.349 176.600 0.043 0.000 1.047 165 E CA 0.201 56.644 56.400 0.073 0.000 0.867 165 E CB -0.006 29.746 29.700 0.088 0.000 0.858 165 E HN 0.416 nan 8.360 nan 0.000 0.513 166 D N 1.372 121.795 120.400 0.038 0.000 2.412 166 D HA 0.051 4.694 4.640 0.005 0.000 0.224 166 D C 0.947 177.254 176.300 0.011 0.000 1.093 166 D CA -0.629 53.380 54.000 0.014 0.000 0.850 166 D CB 1.097 41.909 40.800 0.020 0.000 1.046 166 D HN 0.095 nan 8.370 nan 0.000 0.507 167 R N 3.469 123.962 120.500 -0.011 0.000 2.211 167 R HA -0.111 4.232 4.340 0.005 0.000 0.240 167 R C 1.580 177.873 176.300 -0.011 0.000 1.144 167 R CA 1.172 57.266 56.100 -0.010 0.000 0.992 167 R CB -0.481 29.797 30.300 -0.037 0.000 0.869 167 R HN 0.279 nan 8.270 nan 0.000 0.462 168 R N 0.403 120.895 120.500 -0.014 0.000 2.105 168 R HA 0.018 4.361 4.340 0.005 0.000 0.239 168 R C 2.117 178.403 176.300 -0.024 0.000 1.135 168 R CA 1.877 57.967 56.100 -0.017 0.000 0.967 168 R CB -0.356 29.936 30.300 -0.013 0.000 0.861 168 R HN 0.322 nan 8.270 nan 0.000 0.442 169 I N -0.283 120.278 120.570 -0.015 0.000 2.277 169 I HA -0.203 3.970 4.170 0.005 0.000 0.243 169 I C 2.098 178.176 176.117 -0.065 0.000 1.094 169 I CA 0.871 62.153 61.300 -0.030 0.000 1.393 169 I CB -0.194 37.807 38.000 0.001 0.000 1.078 169 I HN -0.028 nan 8.210 nan 0.000 0.417 170 V N 0.881 120.795 119.914 0.000 0.000 2.332 170 V HA -0.305 3.818 4.120 0.005 0.000 0.248 170 V C 2.450 178.506 176.094 -0.063 0.000 1.055 170 V CA 1.818 64.139 62.300 0.036 0.000 1.038 170 V CB -0.871 31.026 31.823 0.124 0.000 0.651 170 V HN 0.490 nan 8.190 nan 0.000 0.450 171 Q N 0.485 120.254 119.800 -0.052 0.000 2.096 171 Q HA -0.212 4.131 4.340 0.005 0.000 0.204 171 Q C 2.527 178.470 176.000 -0.095 0.000 0.982 171 Q CA 2.075 57.840 55.803 -0.063 0.000 0.850 171 Q CB -0.410 28.306 28.738 -0.038 0.000 0.901 171 Q HN 0.804 nan 8.270 nan 0.000 0.422 172 S N 0.360 115.995 115.700 -0.108 0.000 2.383 172 S HA -0.104 4.369 4.470 0.005 0.000 0.227 172 S C 1.911 176.394 174.600 -0.195 0.000 1.026 172 S CA 0.881 59.008 58.200 -0.122 0.000 0.981 172 S CB -0.072 63.069 63.200 -0.099 0.000 0.818 172 S HN 0.195 nan 8.310 nan 0.000 0.472 173 M N 2.744 122.141 119.600 -0.339 0.000 2.557 173 M HA 0.038 4.521 4.480 0.005 0.000 0.259 173 M C 2.178 178.259 176.300 -0.365 0.000 1.086 173 M CA 1.409 56.378 55.300 -0.552 0.000 1.096 173 M CB -2.117 29.628 32.600 -1.425 0.000 1.424 173 M HN 0.723 nan 8.290 nan 0.000 0.488 174 T N -1.945 112.483 114.554 -0.210 0.000 3.118 174 T HA -0.107 4.246 4.350 0.005 0.000 0.269 174 T C 1.313 175.954 174.700 -0.099 0.000 1.166 174 T CA 0.834 62.866 62.100 -0.115 0.000 1.073 174 T CB -0.315 68.497 68.868 -0.092 0.000 0.884 174 T HN 0.246 nan 8.240 nan 0.000 0.550 175 E N 0.328 120.457 120.200 -0.119 0.000 2.472 175 E HA 0.034 4.387 4.350 0.005 0.000 0.200 175 E C 1.711 178.257 176.600 -0.090 0.000 1.046 175 E CA 0.167 56.513 56.400 -0.089 0.000 0.871 175 E CB -0.236 29.417 29.700 -0.078 0.000 0.806 175 E HN 0.536 nan 8.360 nan 0.000 0.533 176 L N 0.256 121.422 121.223 -0.094 0.000 2.109 176 L HA -0.090 4.252 4.340 0.005 0.000 0.207 176 L C 2.021 178.853 176.870 -0.064 0.000 1.086 176 L CA 1.006 55.799 54.840 -0.079 0.000 0.760 176 L CB -0.128 41.915 42.059 -0.027 0.000 0.910 176 L HN 0.036 nan 8.230 nan 0.000 0.437 177 I N 0.739 121.279 120.570 -0.050 0.000 2.076 177 I HA -0.216 3.957 4.170 0.005 0.000 0.237 177 I C -0.391 175.707 176.117 -0.031 0.000 1.059 177 I CA 1.636 62.916 61.300 -0.034 0.000 1.317 177 I CB -1.736 36.246 38.000 -0.030 0.000 1.037 177 I HN 0.266 nan 8.210 nan 0.000 0.398 178 P HA -0.123 nan 4.420 nan 0.000 0.225 178 P C 1.479 178.760 177.300 -0.031 0.000 1.148 178 P CA 1.721 64.795 63.100 -0.043 0.000 0.779 178 P CB -0.217 31.435 31.700 -0.080 0.000 0.780 179 G N 0.930 109.697 108.800 -0.055 0.000 2.434 179 G HA2 -0.189 3.774 3.960 0.005 0.000 0.214 179 G HA3 -0.189 3.774 3.960 0.005 0.000 0.214 179 G C 1.644 176.503 174.900 -0.069 0.000 1.202 179 G CA 0.457 45.510 45.100 -0.080 0.000 0.788 179 G HN 0.222 nan 8.290 nan 0.000 0.539 180 L N -0.168 121.017 121.223 -0.064 0.000 2.056 180 L HA -0.040 4.303 4.340 0.005 0.000 0.207 180 L C 3.057 179.919 176.870 -0.014 0.000 1.078 180 L CA 1.111 55.920 54.840 -0.052 0.000 0.749 180 L CB -0.248 41.783 42.059 -0.046 0.000 0.901 180 L HN 0.278 nan 8.230 nan 0.000 0.433 181 Q N -0.450 119.363 119.800 0.021 0.000 2.376 181 Q HA 0.233 4.576 4.340 0.005 0.000 0.206 181 Q C 0.695 176.783 176.000 0.147 0.000 0.921 181 Q CA 0.474 56.317 55.803 0.067 0.000 0.911 181 Q CB 0.774 29.585 28.738 0.120 0.000 1.032 181 Q HN 0.466 nan 8.270 nan 0.000 0.510 182 G N 1.939 110.811 108.800 0.119 0.000 2.692 182 G HA2 -0.143 3.820 3.960 0.005 0.000 0.686 182 G HA3 -0.143 3.820 3.960 0.005 0.000 0.686 182 G C -1.263 173.715 174.900 0.130 0.000 1.243 182 G CA -0.763 44.429 45.100 0.152 0.000 0.782 182 G HN 0.109 nan 8.290 nan 0.000 0.625 183 D N 0.027 120.417 120.400 -0.017 0.000 2.399 183 D HA 0.336 4.979 4.640 0.005 0.000 0.241 183 D C 1.454 177.387 176.300 -0.612 0.000 1.133 183 D CA 0.622 54.489 54.000 -0.223 0.000 0.890 183 D CB 1.542 42.254 40.800 -0.146 0.000 1.201 183 D HN 1.056 nan 8.370 nan 0.000 0.432 184 V N -0.204 119.199 119.914 -0.850 0.000 2.881 184 V HA 0.318 4.441 4.120 0.005 0.000 0.303 184 V C -2.231 173.486 176.094 -0.628 0.000 1.070 184 V CA -1.413 60.121 62.300 -1.278 0.000 1.074 184 V CB -0.040 30.887 31.823 -1.494 0.000 1.012 184 V HN 0.342 nan 8.190 nan 0.000 0.482 185 P HA 0.220 nan 4.420 nan 0.000 0.271 185 P C 0.466 177.766 177.300 -0.001 0.000 1.233 185 P CA -0.358 62.685 63.100 -0.095 0.000 0.789 185 P CB 0.525 32.254 31.700 0.047 0.000 0.951 186 K N 0.936 121.342 120.400 0.011 0.000 2.155 186 K HA -0.150 4.173 4.320 0.005 0.000 0.203 186 K C 1.178 177.807 176.600 0.049 0.000 1.052 186 K CA 1.660 57.960 56.287 0.022 0.000 0.948 186 K CB -0.301 32.204 32.500 0.008 0.000 0.728 186 K HN 0.530 nan 8.250 nan 0.000 0.448 187 D N -0.287 120.147 120.400 0.056 0.000 2.263 187 D HA -0.199 4.444 4.640 0.005 0.000 0.208 187 D C 0.450 176.778 176.300 0.046 0.000 0.971 187 D CA 0.176 54.203 54.000 0.044 0.000 0.867 187 D CB -0.499 40.328 40.800 0.045 0.000 0.929 187 D HN 0.049 nan 8.370 nan 0.000 0.492 188 F N 1.657 121.579 119.950 -0.047 0.000 2.568 188 F HA 0.013 4.542 4.527 0.004 0.000 0.394 188 F C 0.207 175.989 175.800 -0.031 0.000 1.032 188 F CA 0.517 58.486 58.000 -0.051 0.000 1.242 188 F CB 0.377 39.311 39.000 -0.109 0.000 0.966 188 F HN -0.197 nan 8.300 nan 0.000 0.560 189 T N 5.931 119.870 114.554 -1.024 0.000 2.770 189 T HA 0.195 4.548 4.350 0.005 0.000 0.283 189 T C -0.129 174.120 174.700 -0.752 0.000 0.988 189 T CA -0.603 61.114 62.100 -0.639 0.000 0.957 189 T CB 1.261 69.864 68.868 -0.442 0.000 0.930 189 T HN 0.703 nan 8.240 nan 0.000 0.443 190 S N 2.111 117.658 115.700 -0.255 0.000 2.561 190 S HA 0.344 4.817 4.470 0.005 0.000 0.294 190 S C 1.666 176.254 174.600 -0.020 0.000 1.294 190 S CA 1.440 59.633 58.200 -0.011 0.000 1.055 190 S CB -0.268 62.961 63.200 0.047 0.000 0.819 190 S HN 1.244 nan 8.310 nan 0.000 0.503 191 G N 3.655 112.543 108.800 0.146 0.000 2.299 191 G HA2 -0.212 3.751 3.960 0.005 0.000 0.237 191 G HA3 -0.212 3.751 3.960 0.005 0.000 0.237 191 G C 0.228 175.210 174.900 0.136 0.000 1.027 191 G CA 0.290 45.500 45.100 0.183 0.000 0.619 191 G HN 0.615 nan 8.290 nan 0.000 0.513 192 M N 2.952 122.564 119.600 0.021 0.000 2.228 192 M HA 0.303 4.786 4.480 0.005 0.000 0.351 192 M C -1.792 174.733 176.300 0.376 0.000 1.233 192 M CA -2.406 52.919 55.300 0.042 0.000 1.129 192 M CB 0.306 32.774 32.600 -0.220 0.000 1.604 192 M HN 0.151 nan 8.290 nan 0.000 0.457 193 P HA 0.282 nan 4.420 nan 0.000 0.272 193 P C -1.215 176.303 177.300 0.365 0.000 1.223 193 P CA -0.053 63.191 63.100 0.240 0.000 0.784 193 P CB 0.818 32.557 31.700 0.065 0.000 0.923 194 F N 1.446 121.447 119.950 0.085 0.000 2.650 194 F HA 0.475 5.004 4.527 0.004 0.000 0.310 194 F C -2.040 173.755 175.800 -0.009 0.000 1.112 194 F CA -0.566 57.457 58.000 0.038 0.000 0.986 194 F CB 1.574 40.528 39.000 -0.077 0.000 1.285 194 F HN 0.077 nan 8.300 nan 0.000 0.440 195 V N 5.197 124.539 119.914 -0.953 0.000 2.777 195 V HA 0.502 4.625 4.120 0.005 0.000 0.306 195 V C 0.380 175.892 176.094 -0.970 0.000 1.112 195 V CA -0.148 61.774 62.300 -0.631 0.000 0.917 195 V CB 1.509 33.173 31.823 -0.265 0.000 1.018 195 V HN 1.036 nan 8.190 nan 0.000 0.426 196 A N 2.926 125.396 122.820 -0.584 0.000 2.121 196 A HA 0.570 4.893 4.320 0.005 0.000 0.218 196 A C 1.210 178.686 177.584 -0.180 0.000 1.154 196 A CA 1.578 53.421 52.037 -0.324 0.000 0.679 196 A CB -0.311 18.714 19.000 0.041 0.000 0.795 196 A HN 1.966 nan 8.150 nan 0.000 0.458 197 G N -0.804 107.903 108.800 -0.154 0.000 2.302 197 G HA2 0.078 4.041 3.960 0.005 0.000 0.264 197 G HA3 0.078 4.041 3.960 0.005 0.000 0.264 197 G C 0.517 175.392 174.900 -0.043 0.000 1.335 197 G CA 0.070 45.125 45.100 -0.075 0.000 0.982 197 G HN 0.409 nan 8.290 nan 0.000 0.473 198 K N -0.094 120.298 120.400 -0.013 0.000 2.280 198 K HA -0.043 4.279 4.320 0.005 0.000 0.202 198 K C 1.090 177.689 176.600 -0.001 0.000 1.047 198 K CA 1.881 58.167 56.287 -0.001 0.000 0.942 198 K CB -0.207 32.302 32.500 0.015 0.000 0.739 198 K HN 0.335 nan 8.250 nan 0.000 0.457 199 N N 0.515 119.215 118.700 -0.001 0.000 2.276 199 N HA 0.066 4.808 4.740 0.005 0.000 0.212 199 N C -0.748 174.755 175.510 -0.011 0.000 1.127 199 N CA -0.063 52.987 53.050 0.000 0.000 0.834 199 N CB 0.465 38.958 38.487 0.010 0.000 1.014 199 N HN 0.038 nan 8.380 nan 0.000 0.491 200 K N 0.450 120.838 120.400 -0.020 0.000 2.444 200 K HA 0.546 4.869 4.320 0.005 0.000 0.252 200 K C -0.636 175.947 176.600 -0.029 0.000 0.993 200 K CA -0.895 55.375 56.287 -0.027 0.000 0.847 200 K CB 2.026 34.507 32.500 -0.031 0.000 1.340 200 K HN -0.117 nan 8.250 nan 0.000 0.446 201 V N -2.290 117.610 119.914 -0.023 0.000 2.960 201 V HA 0.858 4.981 4.120 0.005 0.000 0.315 201 V C -0.252 175.845 176.094 0.005 0.000 1.087 201 V CA -1.214 61.084 62.300 -0.003 0.000 0.982 201 V CB 1.683 33.509 31.823 0.004 0.000 1.039 201 V HN 0.778 nan 8.190 nan 0.000 0.437 202 A N 2.307 125.138 122.820 0.019 0.000 2.440 202 A HA 0.828 5.151 4.320 0.005 0.000 0.251 202 A C 0.556 178.209 177.584 0.115 0.000 1.089 202 A CA 0.322 52.349 52.037 -0.016 0.000 0.779 202 A CB 0.062 18.939 19.000 -0.206 0.000 1.022 202 A HN 2.162 nan 8.150 nan 0.000 0.492 203 A N 0.839 123.708 122.820 0.081 0.000 2.326 203 A HA 0.689 5.011 4.320 0.005 0.000 0.303 203 A C -0.177 177.508 177.584 0.168 0.000 1.164 203 A CA -0.141 51.961 52.037 0.109 0.000 0.929 203 A CB 0.744 19.772 19.000 0.047 0.000 1.363 203 A HN 1.840 nan 8.150 nan 0.000 0.498 204 C N 0.065 119.444 119.300 0.132 0.000 2.789 204 C HA 0.633 5.096 4.460 0.005 0.000 0.367 204 C C 0.190 175.194 174.990 0.023 0.000 1.062 204 C CA -0.144 58.953 59.018 0.131 0.000 1.297 204 C CB -0.487 27.414 27.740 0.268 0.000 1.794 204 C HN 1.316 nan 8.230 nan 0.000 0.474 205 A N 6.446 129.257 122.820 -0.014 0.000 2.444 205 A HA 0.479 4.802 4.320 0.005 0.000 0.287 205 A C 0.284 177.875 177.584 0.012 0.000 1.195 205 A CA 0.181 52.183 52.037 -0.059 0.000 0.858 205 A CB -0.019 18.927 19.000 -0.090 0.000 1.117 205 A HN 0.906 nan 8.150 nan 0.000 0.521 206 K N 2.256 122.598 120.400 -0.098 0.000 2.123 206 K HA 0.540 4.863 4.320 0.005 0.000 0.248 206 K C -0.698 175.830 176.600 -0.120 0.000 0.969 206 K CA -0.618 55.546 56.287 -0.205 0.000 0.882 206 K CB 0.542 32.731 32.500 -0.517 0.000 1.080 206 K HN 0.778 nan 8.250 nan 0.000 0.441 207 H N -0.238 118.948 119.070 0.192 0.000 2.929 207 H HA -0.171 4.388 4.556 0.005 0.000 0.341 207 H C -1.140 174.303 175.328 0.193 0.000 1.258 207 H CA 0.208 56.350 56.048 0.158 0.000 1.185 207 H CB -1.807 28.042 29.762 0.145 0.000 1.553 207 H HN 0.523 nan 8.280 nan 0.000 0.438 208 F N 2.233 122.221 119.950 0.065 0.000 2.539 208 F HA 0.150 4.680 4.527 0.005 0.000 0.393 208 F C 0.721 176.402 175.800 -0.197 0.000 1.032 208 F CA 1.019 58.896 58.000 -0.206 0.000 1.120 208 F CB -0.013 38.794 39.000 -0.321 0.000 1.014 208 F HN 0.332 nan 8.300 nan 0.000 0.546 209 V N 5.775 125.217 119.914 -0.787 0.000 3.673 209 V HA -0.066 4.057 4.120 0.005 0.000 0.512 209 V C 0.816 176.608 176.094 -0.502 0.000 0.682 209 V CA 1.319 63.142 62.300 -0.795 0.000 2.054 209 V CB -1.029 29.944 31.823 -1.416 0.000 2.469 209 V HN 1.829 nan 8.190 nan 0.000 0.511 210 G N 3.731 112.273 108.800 -0.429 0.000 2.143 210 G HA2 -0.253 3.710 3.960 0.005 0.000 0.249 210 G HA3 -0.253 3.710 3.960 0.005 0.000 0.249 210 G C 0.434 175.006 174.900 -0.546 0.000 0.981 210 G CA 0.979 45.672 45.100 -0.678 0.000 0.665 210 G HN 1.424 nan 8.290 nan 0.000 0.528 211 D N 0.486 120.706 120.400 -0.300 0.000 2.123 211 D HA -0.051 4.592 4.640 0.005 0.000 0.196 211 D C 2.186 178.062 176.300 -0.706 0.000 0.992 211 D CA 1.673 55.504 54.000 -0.282 0.000 0.833 211 D CB -1.169 39.670 40.800 0.065 0.000 0.954 211 D HN 0.786 nan 8.370 nan 0.000 0.455 212 G N -0.154 108.307 108.800 -0.565 0.000 2.848 212 G HA2 0.133 4.096 3.960 0.005 0.000 0.208 212 G HA3 0.133 4.096 3.960 0.005 0.000 0.208 212 G C 1.325 175.948 174.900 -0.462 0.000 1.152 212 G CA 0.375 45.092 45.100 -0.639 0.000 0.789 212 G HN 0.489 nan 8.290 nan 0.000 0.531 213 G N 0.597 109.045 108.800 -0.587 0.000 3.434 213 G HA2 0.295 4.258 3.960 0.005 0.000 0.258 213 G HA3 0.295 4.258 3.960 0.005 0.000 0.258 213 G C 0.846 175.573 174.900 -0.288 0.000 1.128 213 G CA 0.407 45.293 45.100 -0.355 0.000 0.792 213 G HN 0.456 nan 8.290 nan 0.000 0.539 214 T N -1.579 112.737 114.554 -0.397 0.000 2.903 214 T HA 0.281 4.634 4.350 0.005 0.000 0.314 214 T C 0.669 175.266 174.700 -0.171 0.000 1.078 214 T CA -0.359 61.576 62.100 -0.276 0.000 1.114 214 T CB 1.875 70.545 68.868 -0.330 0.000 0.987 214 T HN 0.505 nan 8.240 nan 0.000 0.548 215 V N 2.761 122.614 119.914 -0.103 0.000 2.540 215 V HA 0.161 4.284 4.120 0.005 0.000 0.297 215 V C 0.300 176.357 176.094 -0.062 0.000 1.024 215 V CA 0.368 62.629 62.300 -0.065 0.000 1.105 215 V CB -1.041 30.757 31.823 -0.043 0.000 0.938 215 V HN 1.050 nan 8.190 nan 0.000 0.482 216 D N 3.803 124.175 120.400 -0.047 0.000 3.070 216 D HA -0.206 4.437 4.640 0.005 0.000 0.220 216 D C 1.088 177.371 176.300 -0.027 0.000 1.176 216 D CA 1.901 55.880 54.000 -0.035 0.000 0.924 216 D CB -1.547 39.236 40.800 -0.030 0.000 1.124 216 D HN 1.964 nan 8.370 nan 0.000 0.411 217 G N 0.016 108.776 108.800 -0.068 0.000 2.273 217 G HA2 -0.329 3.634 3.960 0.005 0.000 0.280 217 G HA3 -0.329 3.634 3.960 0.005 0.000 0.280 217 G C 0.305 175.209 174.900 0.008 0.000 1.047 217 G CA 0.328 45.380 45.100 -0.079 0.000 0.869 217 G HN 0.583 nan 8.290 nan 0.000 0.502 218 I N 0.555 121.103 120.570 -0.036 0.000 2.416 218 I HA 0.093 4.266 4.170 0.005 0.000 0.288 218 I C 1.122 177.267 176.117 0.047 0.000 1.051 218 I CA -0.488 60.832 61.300 0.034 0.000 1.375 218 I CB 0.808 38.809 38.000 0.001 0.000 1.407 218 I HN 0.275 nan 8.210 nan 0.000 0.516 219 N N 6.487 125.323 118.700 0.227 0.000 2.458 219 N HA -0.057 4.686 4.740 0.005 0.000 0.258 219 N C 0.208 175.816 175.510 0.164 0.000 1.219 219 N CA 0.295 53.556 53.050 0.352 0.000 0.902 219 N CB 0.478 39.189 38.487 0.372 0.000 1.076 219 N HN 0.713 nan 8.380 nan 0.000 0.455 220 E N -0.944 119.359 120.200 0.172 0.000 3.673 220 E HA -0.331 4.022 4.350 0.005 0.000 0.309 220 E C -0.097 176.543 176.600 0.067 0.000 0.819 220 E CA 0.458 56.941 56.400 0.139 0.000 1.111 220 E CB -1.458 28.282 29.700 0.067 0.000 1.561 220 E HN 0.700 nan 8.360 nan 0.000 0.450 221 N N 0.766 119.475 118.700 0.015 0.000 2.383 221 N HA 0.097 4.840 4.740 0.005 0.000 0.288 221 N C 0.015 175.515 175.510 -0.017 0.000 1.320 221 N CA -0.265 52.781 53.050 -0.007 0.000 0.941 221 N CB 0.452 38.923 38.487 -0.026 0.000 1.078 221 N HN -0.017 nan 8.380 nan 0.000 0.509 222 N N -0.621 118.062 118.700 -0.028 0.000 2.405 222 N HA 0.233 4.976 4.740 0.005 0.000 0.299 222 N C -1.733 173.757 175.510 -0.034 0.000 1.075 222 N CA -0.017 53.023 53.050 -0.018 0.000 0.884 222 N CB 1.286 39.766 38.487 -0.013 0.000 1.194 222 N HN 0.213 nan 8.380 nan 0.000 0.491 223 T N 3.722 118.278 114.554 0.005 0.000 2.801 223 T HA 0.438 4.791 4.350 0.005 0.000 0.306 223 T C 0.178 174.960 174.700 0.137 0.000 1.020 223 T CA -0.301 61.813 62.100 0.025 0.000 0.948 223 T CB -0.274 68.573 68.868 -0.034 0.000 0.962 223 T HN 0.359 nan 8.240 nan 0.000 0.465 224 I N 5.314 125.925 120.570 0.068 0.000 2.310 224 I HA 0.542 4.715 4.170 0.005 0.000 0.287 224 I C -0.220 175.956 176.117 0.099 0.000 1.073 224 I CA -0.232 61.097 61.300 0.049 0.000 1.216 224 I CB 0.336 38.334 38.000 -0.003 0.000 1.415 224 I HN 0.505 nan 8.210 nan 0.000 0.480 225 I N 6.026 126.713 120.570 0.195 0.000 2.842 225 I HA 0.304 4.477 4.170 0.005 0.000 0.297 225 I C -1.113 175.196 176.117 0.320 0.000 1.380 225 I CA -0.736 60.694 61.300 0.217 0.000 1.018 225 I CB 1.876 40.011 38.000 0.226 0.000 1.311 225 I HN 0.535 nan 8.210 nan 0.000 0.439 226 N N 5.976 124.796 118.700 0.200 0.000 2.354 226 N HA 0.116 4.859 4.740 0.005 0.000 0.246 226 N C 0.557 176.269 175.510 0.337 0.000 1.285 226 N CA -0.184 52.994 53.050 0.214 0.000 0.925 226 N CB 0.540 39.087 38.487 0.100 0.000 1.174 226 N HN 0.733 nan 8.380 nan 0.000 0.478 227 R N -0.383 120.342 120.500 0.375 0.000 2.152 227 R HA -0.088 4.255 4.340 0.005 0.000 0.232 227 R C 1.027 177.371 176.300 0.074 0.000 1.117 227 R CA 1.166 57.460 56.100 0.322 0.000 0.981 227 R CB 0.101 30.584 30.300 0.305 0.000 0.870 227 R HN 0.633 nan 8.270 nan 0.000 0.451 228 E N -1.117 119.123 120.200 0.067 0.000 2.152 228 E HA -0.087 4.266 4.350 0.005 0.000 0.192 228 E C 1.814 178.406 176.600 -0.013 0.000 0.983 228 E CA 1.129 57.537 56.400 0.014 0.000 0.818 228 E CB -0.018 29.693 29.700 0.019 0.000 0.758 228 E HN 0.523 nan 8.360 nan 0.000 0.467 229 G N 1.929 110.735 108.800 0.011 0.000 2.394 229 G HA2 -0.172 3.791 3.960 0.005 0.000 0.215 229 G HA3 -0.172 3.791 3.960 0.005 0.000 0.215 229 G C 1.591 176.445 174.900 -0.077 0.000 1.165 229 G CA -0.018 45.070 45.100 -0.020 0.000 0.784 229 G HN 0.115 nan 8.290 nan 0.000 0.535 230 L N 0.425 121.600 121.223 -0.081 0.000 1.971 230 L HA -0.087 4.256 4.340 0.005 0.000 0.215 230 L C 2.859 179.594 176.870 -0.224 0.000 1.072 230 L CA 1.802 56.513 54.840 -0.215 0.000 0.758 230 L CB -0.362 41.324 42.059 -0.621 0.000 0.889 230 L HN 0.219 nan 8.230 nan 0.000 0.433 231 M N -0.728 118.739 119.600 -0.221 0.000 2.394 231 M HA -0.144 4.339 4.480 0.005 0.000 0.264 231 M C 1.775 178.019 176.300 -0.092 0.000 1.073 231 M CA 1.603 56.802 55.300 -0.167 0.000 1.111 231 M CB -1.475 31.030 32.600 -0.159 0.000 1.401 231 M HN 0.465 nan 8.290 nan 0.000 0.448 232 N N 0.688 119.330 118.700 -0.097 0.000 2.409 232 N HA 0.036 4.778 4.740 0.005 0.000 0.174 232 N C 1.308 176.749 175.510 -0.114 0.000 1.037 232 N CA 0.583 53.587 53.050 -0.078 0.000 0.898 232 N CB 0.247 38.699 38.487 -0.057 0.000 1.010 232 N HN 0.290 nan 8.380 nan 0.000 0.445 233 I N -1.075 119.375 120.570 -0.199 0.000 2.962 233 I HA 0.083 4.255 4.170 0.005 0.000 0.246 233 I C 1.423 177.314 176.117 -0.376 0.000 1.091 233 I CA 0.344 61.441 61.300 -0.339 0.000 1.469 233 I CB -0.266 37.419 38.000 -0.524 0.000 1.324 233 I HN 0.100 nan 8.210 nan 0.000 0.461 234 H N -0.461 118.563 119.070 -0.077 0.000 2.512 234 H HA 0.033 4.591 4.556 0.005 0.000 0.279 234 H C 1.831 177.169 175.328 0.016 0.000 0.999 234 H CA 0.864 56.877 56.048 -0.058 0.000 1.283 234 H CB 0.202 29.874 29.762 -0.150 0.000 1.421 234 H HN 0.168 nan 8.280 nan 0.000 0.554 235 M N 0.818 120.443 119.600 0.043 0.000 2.160 235 M HA 0.054 4.537 4.480 0.005 0.000 0.264 235 M C -1.099 175.331 176.300 0.217 0.000 1.073 235 M CA 0.618 55.998 55.300 0.135 0.000 1.142 235 M CB -0.456 32.145 32.600 0.002 0.000 1.358 235 M HN -0.016 nan 8.290 nan 0.000 0.422 236 P HA -0.279 nan 4.420 nan 0.000 0.221 236 P C 1.178 178.525 177.300 0.078 0.000 1.160 236 P CA 2.764 65.910 63.100 0.077 0.000 0.933 236 P CB -0.429 31.285 31.700 0.022 0.000 0.793 237 A N -1.983 120.854 122.820 0.028 0.000 1.958 237 A HA -0.269 4.053 4.320 0.005 0.000 0.221 237 A C 2.116 179.634 177.584 -0.110 0.000 1.178 237 A CA 1.863 53.858 52.037 -0.069 0.000 0.642 237 A CB -2.030 16.883 19.000 -0.146 0.000 0.816 237 A HN 0.228 nan 8.150 nan 0.000 0.453 238 Y N -0.324 120.016 120.300 0.067 0.000 2.315 238 Y HA -0.208 4.345 4.550 0.005 0.000 0.288 238 Y C 2.435 178.353 175.900 0.030 0.000 1.154 238 Y CA 1.788 59.925 58.100 0.061 0.000 1.229 238 Y CB -0.092 38.465 38.460 0.161 0.000 0.980 238 Y HN 0.357 nan 8.280 nan 0.000 0.540 239 K N 0.753 121.263 120.400 0.184 0.000 2.116 239 K HA -0.086 4.237 4.320 0.005 0.000 0.203 239 K C 1.256 177.898 176.600 0.070 0.000 1.052 239 K CA 1.686 58.043 56.287 0.117 0.000 0.952 239 K CB -0.369 32.200 32.500 0.114 0.000 0.729 239 K HN 0.258 nan 8.250 nan 0.000 0.446 240 N N 0.317 119.041 118.700 0.041 0.000 2.120 240 N HA -0.104 4.639 4.740 0.005 0.000 0.188 240 N C 1.637 177.152 175.510 0.009 0.000 1.024 240 N CA 1.432 54.490 53.050 0.014 0.000 0.852 240 N CB -0.263 38.213 38.487 -0.018 0.000 1.003 240 N HN 0.317 nan 8.380 nan 0.000 0.424 241 A N 1.058 123.874 122.820 -0.008 0.000 1.908 241 A HA -0.172 4.151 4.320 0.005 0.000 0.218 241 A C 2.065 179.681 177.584 0.053 0.000 1.181 241 A CA 1.344 53.373 52.037 -0.014 0.000 0.627 241 A CB -0.409 18.550 19.000 -0.068 0.000 0.818 241 A HN 0.130 nan 8.150 nan 0.000 0.445 242 M N 0.406 120.057 119.600 0.084 0.000 2.086 242 M HA -0.133 4.349 4.480 0.005 0.000 0.261 242 M C 1.263 177.691 176.300 0.213 0.000 1.067 242 M CA 1.485 56.882 55.300 0.162 0.000 1.116 242 M CB -1.578 31.099 32.600 0.129 0.000 1.348 242 M HN 0.423 nan 8.290 nan 0.000 0.407 243 D N 0.081 120.570 120.400 0.147 0.000 2.310 243 D HA -0.089 4.554 4.640 0.005 0.000 0.212 243 D C 1.454 177.837 176.300 0.137 0.000 0.965 243 D CA 0.819 54.926 54.000 0.178 0.000 0.879 243 D CB -0.215 40.642 40.800 0.095 0.000 0.921 243 D HN 0.423 nan 8.370 nan 0.000 0.510 244 K N -0.189 120.240 120.400 0.049 0.000 2.374 244 K HA 0.194 4.517 4.320 0.005 0.000 0.196 244 K C 0.907 177.408 176.600 -0.164 0.000 1.023 244 K CA 0.228 56.463 56.287 -0.087 0.000 1.103 244 K CB 0.788 33.250 32.500 -0.064 0.000 0.848 244 K HN 0.079 nan 8.250 nan 0.000 0.528 245 G N 1.944 110.749 108.800 0.007 0.000 2.176 245 G HA2 -0.244 3.718 3.960 0.005 0.000 0.252 245 G HA3 -0.244 3.718 3.960 0.005 0.000 0.252 245 G C 0.091 175.098 174.900 0.177 0.000 1.024 245 G CA 0.203 45.373 45.100 0.118 0.000 0.755 245 G HN 0.244 nan 8.290 nan 0.000 0.507 246 V N 0.610 120.617 119.914 0.155 0.000 2.584 246 V HA 0.264 4.387 4.120 0.005 0.000 0.303 246 V C 1.758 177.993 176.094 0.235 0.000 1.035 246 V CA 1.497 63.876 62.300 0.132 0.000 1.172 246 V CB 0.867 32.720 31.823 0.050 0.000 0.896 246 V HN 0.517 nan 8.190 nan 0.000 0.486 247 S N 3.825 119.603 115.700 0.130 0.000 2.348 247 S HA -0.071 4.402 4.470 0.005 0.000 0.221 247 S C 0.851 175.469 174.600 0.030 0.000 1.033 247 S CA 1.688 59.916 58.200 0.046 0.000 1.010 247 S CB -0.134 63.007 63.200 -0.098 0.000 0.891 247 S HN 1.078 nan 8.310 nan 0.000 0.442 248 T N -1.526 113.007 114.554 -0.035 0.000 2.926 248 T HA 0.730 5.083 4.350 0.005 0.000 0.289 248 T C -0.907 173.798 174.700 0.009 0.000 1.054 248 T CA -0.793 61.256 62.100 -0.086 0.000 1.015 248 T CB 1.896 70.460 68.868 -0.507 0.000 1.167 248 T HN -0.089 nan 8.240 nan 0.000 0.526 249 V N 1.921 121.817 119.914 -0.030 0.000 2.569 249 V HA 0.490 4.613 4.120 0.005 0.000 0.301 249 V C -0.429 175.653 176.094 -0.021 0.000 1.044 249 V CA -0.842 61.368 62.300 -0.150 0.000 0.874 249 V CB 1.693 33.201 31.823 -0.525 0.000 1.002 249 V HN 1.085 nan 8.190 nan 0.000 0.424 250 M N 5.722 125.334 119.600 0.020 0.000 2.318 250 M HA 0.607 5.090 4.480 0.005 0.000 0.347 250 M C -1.111 175.221 176.300 0.053 0.000 1.175 250 M CA -0.471 54.846 55.300 0.030 0.000 1.075 250 M CB 1.083 33.670 32.600 -0.022 0.000 1.614 250 M HN 0.427 nan 8.290 nan 0.000 0.456 251 I N 2.686 123.249 120.570 -0.012 0.000 2.440 251 I HA 0.229 4.402 4.170 0.005 0.000 0.294 251 I C 0.359 176.434 176.117 -0.071 0.000 0.995 251 I CA -0.138 61.101 61.300 -0.101 0.000 1.306 251 I CB 1.217 38.973 38.000 -0.407 0.000 1.407 251 I HN 0.704 nan 8.210 nan 0.000 0.501 252 S N 4.251 119.961 115.700 0.017 0.000 2.584 252 S HA 0.217 4.690 4.470 0.005 0.000 0.273 252 S C 0.931 175.639 174.600 0.179 0.000 1.311 252 S CA -0.082 58.165 58.200 0.078 0.000 1.034 252 S CB 0.370 63.625 63.200 0.092 0.000 0.939 252 S HN 0.415 nan 8.310 nan 0.000 0.513 253 Y N 2.572 123.015 120.300 0.239 0.000 2.497 253 Y HA -0.034 4.519 4.550 0.005 0.000 0.292 253 Y C 1.865 177.855 175.900 0.149 0.000 1.137 253 Y CA 0.341 58.572 58.100 0.218 0.000 1.285 253 Y CB -0.150 38.380 38.460 0.116 0.000 0.991 253 Y HN 0.681 nan 8.280 nan 0.000 0.556 254 S N -0.541 115.303 115.700 0.240 0.000 2.608 254 S HA 0.285 4.758 4.470 0.005 0.000 0.261 254 S C 0.121 174.787 174.600 0.110 0.000 1.314 254 S CA -0.924 57.348 58.200 0.119 0.000 0.992 254 S CB 1.481 64.684 63.200 0.005 0.000 0.935 254 S HN 0.036 nan 8.310 nan 0.000 0.564 255 S N 0.307 116.054 115.700 0.078 0.000 2.578 255 S HA 0.522 4.995 4.470 0.005 0.000 0.301 255 S C -1.436 173.242 174.600 0.130 0.000 1.091 255 S CA -0.560 57.697 58.200 0.094 0.000 1.032 255 S CB 0.697 63.938 63.200 0.069 0.000 1.064 255 S HN 0.775 nan 8.310 nan 0.000 0.508 256 W N 3.463 124.724 121.300 -0.066 0.000 2.336 256 W HA 0.443 5.106 4.660 0.005 0.000 0.315 256 W C -0.281 176.203 176.519 -0.058 0.000 1.016 256 W CA -1.153 56.139 57.345 -0.088 0.000 1.318 256 W CB -0.600 28.789 29.460 -0.118 0.000 1.247 256 W HN 0.780 nan 8.180 nan 0.000 0.414 257 N N 3.906 122.475 118.700 -0.219 0.000 2.747 257 N HA -0.196 4.547 4.740 0.005 0.000 0.249 257 N C 0.917 176.307 175.510 -0.201 0.000 1.107 257 N CA 2.248 55.105 53.050 -0.321 0.000 0.707 257 N CB -1.310 36.787 38.487 -0.649 0.000 1.054 257 N HN 1.212 nan 8.380 nan 0.000 0.555 258 G N -2.919 105.825 108.800 -0.094 0.000 2.259 258 G HA2 -0.286 3.676 3.960 0.005 0.000 0.217 258 G HA3 -0.286 3.676 3.960 0.005 0.000 0.217 258 G C -0.065 174.825 174.900 -0.017 0.000 1.001 258 G CA 0.086 45.154 45.100 -0.053 0.000 0.627 258 G HN 0.457 nan 8.290 nan 0.000 0.501 259 V N 3.150 123.052 119.914 -0.021 0.000 2.498 259 V HA 0.433 4.556 4.120 0.005 0.000 0.279 259 V C 0.593 176.742 176.094 0.093 0.000 1.048 259 V CA -0.922 61.399 62.300 0.035 0.000 0.967 259 V CB 1.611 33.447 31.823 0.022 0.000 0.988 259 V HN 0.230 nan 8.190 nan 0.000 0.473 260 K N 4.571 125.040 120.400 0.116 0.000 2.350 260 K HA 0.227 4.549 4.320 0.005 0.000 0.279 260 K C 0.986 177.683 176.600 0.162 0.000 1.027 260 K CA -0.352 56.028 56.287 0.155 0.000 0.969 260 K CB 0.808 33.416 32.500 0.180 0.000 0.954 260 K HN 0.493 nan 8.250 nan 0.000 0.474 261 M N 1.776 121.470 119.600 0.157 0.000 2.279 261 M HA -0.132 4.351 4.480 0.005 0.000 0.264 261 M C 1.568 177.898 176.300 0.049 0.000 1.062 261 M CA 1.617 56.968 55.300 0.085 0.000 1.099 261 M CB -0.721 31.887 32.600 0.012 0.000 1.394 261 M HN 0.512 nan 8.290 nan 0.000 0.426 262 H N -0.982 118.150 119.070 0.104 0.000 2.546 262 H HA 0.147 4.706 4.556 0.005 0.000 0.277 262 H C 0.935 176.300 175.328 0.061 0.000 1.004 262 H CA 1.189 57.290 56.048 0.088 0.000 1.231 262 H CB 0.364 30.180 29.762 0.089 0.000 1.382 262 H HN 0.332 nan 8.280 nan 0.000 0.580 263 A N 0.736 123.652 122.820 0.161 0.000 2.606 263 A HA 0.063 4.385 4.320 0.005 0.000 0.290 263 A C 0.320 177.964 177.584 0.101 0.000 1.174 263 A CA -0.388 51.709 52.037 0.101 0.000 0.958 263 A CB 0.151 19.209 19.000 0.096 0.000 1.194 263 A HN 0.059 nan 8.150 nan 0.000 0.526 264 N N 0.967 119.733 118.700 0.110 0.000 2.699 264 N HA 0.120 4.863 4.740 0.005 0.000 0.232 264 N C 0.576 176.160 175.510 0.123 0.000 1.027 264 N CA -0.138 52.984 53.050 0.120 0.000 0.920 264 N CB 0.920 39.492 38.487 0.142 0.000 1.148 264 N HN 0.488 nan 8.380 nan 0.000 0.509 265 Q N 1.931 121.794 119.800 0.104 0.000 2.170 265 Q HA -0.123 4.220 4.340 0.005 0.000 0.203 265 Q C 0.257 176.331 176.000 0.123 0.000 0.976 265 Q CA 1.375 57.239 55.803 0.100 0.000 0.858 265 Q CB 0.350 29.134 28.738 0.077 0.000 0.907 265 Q HN 0.582 nan 8.270 nan 0.000 0.433 266 D N 0.307 120.788 120.400 0.135 0.000 2.097 266 D HA -0.166 4.477 4.640 0.005 0.000 0.195 266 D C 1.963 178.389 176.300 0.209 0.000 0.989 266 D CA 1.137 55.232 54.000 0.158 0.000 0.827 266 D CB -0.068 40.827 40.800 0.158 0.000 0.966 266 D HN 0.345 nan 8.370 nan 0.000 0.456 267 L N 0.711 122.066 121.223 0.221 0.000 2.131 267 L HA -0.083 4.260 4.340 0.005 0.000 0.206 267 L C 2.619 179.728 176.870 0.399 0.000 1.087 267 L CA 0.435 55.445 54.840 0.284 0.000 0.767 267 L CB -0.231 41.910 42.059 0.136 0.000 0.917 267 L HN -0.093 nan 8.230 nan 0.000 0.441 268 V N -0.842 119.240 119.914 0.279 0.000 2.302 268 V HA -0.181 3.942 4.120 0.005 0.000 0.243 268 V C 2.411 178.563 176.094 0.097 0.000 1.036 268 V CA 2.208 64.608 62.300 0.168 0.000 1.020 268 V CB -0.461 31.432 31.823 0.117 0.000 0.657 268 V HN 0.410 nan 8.190 nan 0.000 0.453 269 T N 0.050 114.668 114.554 0.106 0.000 2.866 269 T HA 0.057 4.409 4.350 0.005 0.000 0.250 269 T C 1.901 176.651 174.700 0.082 0.000 1.033 269 T CA 1.201 63.348 62.100 0.079 0.000 1.145 269 T CB -0.507 68.402 68.868 0.069 0.000 0.866 269 T HN 0.544 nan 8.240 nan 0.000 0.434 270 G N -0.318 108.551 108.800 0.114 0.000 2.402 270 G HA2 -0.162 3.800 3.960 0.005 0.000 0.216 270 G HA3 -0.162 3.800 3.960 0.005 0.000 0.216 270 G C 1.352 176.337 174.900 0.143 0.000 1.162 270 G CA 0.558 45.729 45.100 0.119 0.000 0.777 270 G HN 0.440 nan 8.290 nan 0.000 0.539 271 Y N 0.110 120.460 120.300 0.083 0.000 2.217 271 Y HA 0.243 4.796 4.550 0.005 0.000 0.286 271 Y C 2.479 178.420 175.900 0.069 0.000 1.117 271 Y CA 0.832 58.984 58.100 0.087 0.000 1.113 271 Y CB -0.567 37.963 38.460 0.117 0.000 1.053 271 Y HN 0.075 nan 8.280 nan 0.000 0.501 272 L N 0.941 122.228 121.223 0.107 0.000 2.042 272 L HA -0.185 4.157 4.340 0.005 0.000 0.210 272 L C 1.850 178.679 176.870 -0.068 0.000 1.076 272 L CA 2.063 56.829 54.840 -0.123 0.000 0.749 272 L CB -0.654 41.120 42.059 -0.474 0.000 0.893 272 L HN 0.187 nan 8.230 nan 0.000 0.432 273 K N -1.148 119.251 120.400 -0.000 0.000 2.121 273 K HA -0.007 4.316 4.320 0.005 0.000 0.203 273 K C 1.747 178.343 176.600 -0.006 0.000 1.041 273 K CA 1.014 57.323 56.287 0.036 0.000 0.969 273 K CB -0.068 32.460 32.500 0.047 0.000 0.799 273 K HN 0.258 nan 8.250 nan 0.000 0.456 274 D N 0.232 120.624 120.400 -0.013 0.000 2.110 274 D HA -0.074 4.568 4.640 0.005 0.000 0.202 274 D C 1.917 178.177 176.300 -0.067 0.000 0.975 274 D CA 1.375 55.361 54.000 -0.022 0.000 0.839 274 D CB -0.433 40.372 40.800 0.008 0.000 0.996 274 D HN 0.075 nan 8.370 nan 0.000 0.464 275 T N 1.424 115.896 114.554 -0.136 0.000 2.639 275 T HA -0.008 4.345 4.350 0.005 0.000 0.261 275 T C 2.099 176.651 174.700 -0.247 0.000 1.053 275 T CA 0.586 62.553 62.100 -0.221 0.000 1.158 275 T CB -0.438 68.196 68.868 -0.389 0.000 0.863 275 T HN 0.069 nan 8.240 nan 0.000 0.413 276 L N 0.492 121.501 121.223 -0.357 0.000 2.551 276 L HA 0.111 4.454 4.340 0.005 0.000 0.228 276 L C 0.703 177.539 176.870 -0.058 0.000 1.153 276 L CA 0.545 55.266 54.840 -0.199 0.000 0.851 276 L CB -0.637 41.303 42.059 -0.198 0.000 0.959 276 L HN 0.378 nan 8.230 nan 0.000 0.451 277 K N -0.151 120.218 120.400 -0.050 0.000 3.035 277 K HA -0.249 4.073 4.320 0.005 0.000 0.262 277 K C 0.048 176.681 176.600 0.055 0.000 1.024 277 K CA 0.226 56.506 56.287 -0.010 0.000 0.748 277 K CB -1.700 30.780 32.500 -0.033 0.000 1.247 277 K HN 0.112 nan 8.250 nan 0.000 0.482 278 F N 1.250 121.150 119.950 -0.084 0.000 2.578 278 F HA 0.060 4.589 4.527 0.005 0.000 0.376 278 F C 1.063 176.840 175.800 -0.039 0.000 1.085 278 F CA 0.204 58.168 58.000 -0.060 0.000 1.260 278 F CB 0.708 39.652 39.000 -0.094 0.000 1.095 278 F HN -0.053 nan 8.300 nan 0.000 0.573 279 K N 3.705 123.779 120.400 -0.543 0.000 2.413 279 K HA 0.298 4.621 4.320 0.005 0.000 0.204 279 K C 0.868 177.063 176.600 -0.676 0.000 1.041 279 K CA 0.017 56.009 56.287 -0.492 0.000 1.082 279 K CB 0.594 32.964 32.500 -0.217 0.000 0.871 279 K HN 0.795 nan 8.250 nan 0.000 0.535 280 G N 0.360 108.275 108.800 -1.475 0.000 2.531 280 G HA2 0.354 4.317 3.960 0.005 0.000 0.253 280 G HA3 0.354 4.317 3.960 0.005 0.000 0.253 280 G C -0.482 174.094 174.900 -0.540 0.000 1.439 280 G CA -0.571 44.011 45.100 -0.864 0.000 1.056 280 G HN 0.179 nan 8.290 nan 0.000 0.555 281 F N -1.615 118.258 119.950 -0.128 0.000 2.507 281 F HA 0.730 5.260 4.527 0.004 0.000 0.327 281 F C -0.586 175.367 175.800 0.255 0.000 1.068 281 F CA -1.688 56.330 58.000 0.031 0.000 0.965 281 F CB 1.788 40.795 39.000 0.012 0.000 1.192 281 F HN 0.214 nan 8.300 nan 0.000 0.476 282 V N 4.825 125.007 119.914 0.447 0.000 2.350 282 V HA 0.380 4.503 4.120 0.005 0.000 0.276 282 V C -0.109 176.179 176.094 0.323 0.000 1.028 282 V CA -0.636 61.844 62.300 0.300 0.000 0.860 282 V CB 1.082 33.010 31.823 0.175 0.000 0.990 282 V HN 0.876 nan 8.190 nan 0.000 0.453 283 I N 4.460 125.206 120.570 0.293 0.000 2.562 283 I HA 0.590 4.762 4.170 0.005 0.000 0.301 283 I C 0.823 177.021 176.117 0.134 0.000 1.003 283 I CA -0.085 61.382 61.300 0.277 0.000 1.127 283 I CB 2.125 40.376 38.000 0.419 0.000 1.304 283 I HN 0.779 nan 8.210 nan 0.000 0.446 284 S N 4.944 120.723 115.700 0.131 0.000 2.634 284 S HA 0.249 4.721 4.470 0.005 0.000 0.261 284 S C -0.238 174.450 174.600 0.147 0.000 1.271 284 S CA -0.519 57.806 58.200 0.207 0.000 0.985 284 S CB 1.194 64.530 63.200 0.227 0.000 0.968 284 S HN 0.706 nan 8.310 nan 0.000 0.568 285 D N -0.557 119.984 120.400 0.235 0.000 2.437 285 D HA 0.149 4.792 4.640 0.005 0.000 0.259 285 D C -0.623 175.753 176.300 0.127 0.000 1.118 285 D CA -0.785 53.211 54.000 -0.006 0.000 1.017 285 D CB 0.720 41.265 40.800 -0.426 0.000 1.120 285 D HN 0.713 nan 8.370 nan 0.000 0.541 286 W N 2.112 123.411 121.300 -0.003 0.000 2.613 286 W HA -0.022 4.641 4.660 0.004 0.000 0.342 286 W C 0.145 176.761 176.519 0.162 0.000 1.416 286 W CA 0.745 58.134 57.345 0.073 0.000 1.335 286 W CB -0.632 28.879 29.460 0.084 0.000 1.396 286 W HN 0.685 nan 8.180 nan 0.000 0.572 287 E N 1.924 122.202 120.200 0.129 0.000 2.971 287 E HA -0.262 4.091 4.350 0.005 0.000 0.278 287 E C 1.520 178.215 176.600 0.158 0.000 1.009 287 E CA 0.599 57.076 56.400 0.128 0.000 0.862 287 E CB -1.240 28.567 29.700 0.180 0.000 1.436 287 E HN 0.722 nan 8.360 nan 0.000 0.434 288 G N 1.204 110.065 108.800 0.102 0.000 2.476 288 G HA2 -0.287 3.676 3.960 0.005 0.000 0.218 288 G HA3 -0.287 3.676 3.960 0.005 0.000 0.218 288 G C 1.434 176.014 174.900 -0.534 0.000 1.164 288 G CA 1.224 46.105 45.100 -0.365 0.000 0.768 288 G HN 0.558 nan 8.290 nan 0.000 0.560 289 I N -1.016 119.438 120.570 -0.193 0.000 2.439 289 I HA -0.001 4.172 4.170 0.005 0.000 0.251 289 I C 1.780 177.928 176.117 0.051 0.000 1.139 289 I CA 1.807 63.081 61.300 -0.042 0.000 1.438 289 I CB -0.358 37.660 38.000 0.029 0.000 1.085 289 I HN -0.048 nan 8.210 nan 0.000 0.427 290 D N 1.818 122.299 120.400 0.135 0.000 2.158 290 D HA -0.175 4.468 4.640 0.005 0.000 0.197 290 D C 2.192 178.561 176.300 0.115 0.000 0.995 290 D CA 1.419 55.535 54.000 0.194 0.000 0.846 290 D CB -0.326 40.548 40.800 0.124 0.000 0.941 290 D HN 0.430 nan 8.370 nan 0.000 0.456 291 R N 0.149 120.684 120.500 0.060 0.000 2.285 291 R HA 0.065 4.408 4.340 0.005 0.000 0.213 291 R C 2.020 178.363 176.300 0.072 0.000 1.068 291 R CA 0.251 56.377 56.100 0.044 0.000 1.004 291 R CB -0.182 30.127 30.300 0.015 0.000 0.873 291 R HN 0.318 nan 8.270 nan 0.000 0.467 292 I N 0.763 121.382 120.570 0.083 0.000 2.454 292 I HA -0.162 4.011 4.170 0.005 0.000 0.254 292 I C 1.241 177.458 176.117 0.167 0.000 1.156 292 I CA 0.946 62.322 61.300 0.126 0.000 1.433 292 I CB -0.413 37.644 38.000 0.094 0.000 1.082 292 I HN 0.178 nan 8.210 nan 0.000 0.432 293 T N -2.053 112.600 114.554 0.164 0.000 2.895 293 T HA 0.391 4.744 4.350 0.005 0.000 0.283 293 T C -0.153 174.608 174.700 0.101 0.000 1.014 293 T CA -0.578 61.620 62.100 0.164 0.000 1.037 293 T CB 2.201 71.189 68.868 0.200 0.000 1.006 293 T HN 0.032 nan 8.240 nan 0.000 0.468 294 T N 2.830 117.430 114.554 0.077 0.000 2.840 294 T HA 0.600 4.952 4.350 0.005 0.000 0.287 294 T C -2.613 172.111 174.700 0.040 0.000 0.991 294 T CA -1.322 60.807 62.100 0.049 0.000 0.964 294 T CB 0.323 69.212 68.868 0.035 0.000 0.954 294 T HN 0.634 nan 8.240 nan 0.000 0.438 295 P HA 0.405 nan 4.420 nan 0.000 0.269 295 P C -0.549 176.782 177.300 0.052 0.000 1.217 295 P CA -0.481 62.640 63.100 0.036 0.000 0.783 295 P CB 0.248 31.965 31.700 0.028 0.000 0.898 296 A N 1.554 124.400 122.820 0.044 0.000 2.498 296 A HA 0.427 4.750 4.320 0.005 0.000 0.239 296 A C 1.480 179.102 177.584 0.064 0.000 1.068 296 A CA 0.356 52.426 52.037 0.055 0.000 0.766 296 A CB -1.118 17.901 19.000 0.031 0.000 1.003 296 A HN 0.967 nan 8.150 nan 0.000 0.497 297 G N 1.076 109.938 108.800 0.104 0.000 2.233 297 G HA2 -0.297 3.666 3.960 0.005 0.000 0.270 297 G HA3 -0.297 3.666 3.960 0.005 0.000 0.270 297 G C 1.149 176.118 174.900 0.115 0.000 1.011 297 G CA 1.540 46.711 45.100 0.118 0.000 0.762 297 G HN 2.127 nan 8.290 nan 0.000 0.511 298 S N -1.452 114.318 115.700 0.117 0.000 2.453 298 S HA 0.126 4.599 4.470 0.005 0.000 0.231 298 S C 0.882 175.561 174.600 0.131 0.000 1.005 298 S CA 1.345 59.604 58.200 0.098 0.000 0.949 298 S CB 0.353 63.598 63.200 0.075 0.000 0.774 298 S HN 0.473 nan 8.310 nan 0.000 0.510 299 D N -0.279 120.238 120.400 0.195 0.000 2.621 299 D HA 0.203 4.846 4.640 0.005 0.000 0.274 299 D C -0.104 176.373 176.300 0.295 0.000 1.215 299 D CA -0.705 53.431 54.000 0.227 0.000 0.810 299 D CB -0.206 40.724 40.800 0.218 0.000 1.248 299 D HN 0.089 nan 8.370 nan 0.000 0.517 300 Y N 1.387 121.760 120.300 0.121 0.000 2.315 300 Y HA -0.168 4.385 4.550 0.005 0.000 0.288 300 Y C 2.164 178.147 175.900 0.137 0.000 1.154 300 Y CA 1.907 60.073 58.100 0.109 0.000 1.229 300 Y CB -0.114 38.394 38.460 0.079 0.000 0.980 300 Y HN 0.329 nan 8.280 nan 0.000 0.540 301 S N -1.104 114.696 115.700 0.165 0.000 2.356 301 S HA -0.264 4.209 4.470 0.005 0.000 0.223 301 S C 2.013 176.722 174.600 0.181 0.000 1.032 301 S CA 1.429 59.736 58.200 0.179 0.000 1.005 301 S CB -0.859 62.478 63.200 0.229 0.000 0.867 301 S HN 0.644 nan 8.310 nan 0.000 0.449 302 Y N 2.179 122.518 120.300 0.064 0.000 2.224 302 Y HA -0.038 4.515 4.550 0.005 0.000 0.289 302 Y C 2.547 178.450 175.900 0.005 0.000 1.146 302 Y CA 1.600 59.711 58.100 0.019 0.000 1.182 302 Y CB -0.985 37.495 38.460 0.033 0.000 0.983 302 Y HN 0.259 nan 8.280 nan 0.000 0.524 303 S N -0.568 114.983 115.700 -0.248 0.000 2.359 303 S HA -0.202 4.271 4.470 0.005 0.000 0.224 303 S C 2.157 176.591 174.600 -0.277 0.000 1.035 303 S CA 1.660 59.682 58.200 -0.297 0.000 1.018 303 S CB -0.733 62.398 63.200 -0.115 0.000 0.876 303 S HN 0.341 nan 8.310 nan 0.000 0.448 304 V N 1.843 121.613 119.914 -0.241 0.000 2.307 304 V HA -0.187 3.936 4.120 0.005 0.000 0.245 304 V C 2.339 178.390 176.094 -0.072 0.000 1.045 304 V CA 2.024 64.263 62.300 -0.102 0.000 1.024 304 V CB -0.601 31.169 31.823 -0.089 0.000 0.651 304 V HN 0.448 nan 8.190 nan 0.000 0.449 305 K N 0.698 121.007 120.400 -0.151 0.000 1.991 305 K HA -0.196 4.127 4.320 0.005 0.000 0.212 305 K C 2.226 178.714 176.600 -0.187 0.000 1.049 305 K CA 1.842 57.990 56.287 -0.232 0.000 0.932 305 K CB -0.556 31.737 32.500 -0.345 0.000 0.717 305 K HN 0.350 nan 8.250 nan 0.000 0.441 306 A N 0.932 123.555 122.820 -0.329 0.000 1.873 306 A HA -0.239 4.084 4.320 0.005 0.000 0.218 306 A C 2.248 179.764 177.584 -0.115 0.000 1.193 306 A CA 2.759 54.623 52.037 -0.289 0.000 0.629 306 A CB -1.159 17.449 19.000 -0.653 0.000 0.826 306 A HN 0.640 nan 8.150 nan 0.000 0.447 307 S N -0.290 115.358 115.700 -0.087 0.000 2.383 307 S HA -0.082 4.390 4.470 0.005 0.000 0.227 307 S C 1.764 176.391 174.600 0.044 0.000 1.026 307 S CA 1.334 59.549 58.200 0.026 0.000 0.981 307 S CB -0.487 62.762 63.200 0.081 0.000 0.818 307 S HN 0.354 nan 8.310 nan 0.000 0.472 308 I N 2.179 122.768 120.570 0.032 0.000 2.286 308 I HA 0.014 4.187 4.170 0.005 0.000 0.245 308 I C 2.422 178.554 176.117 0.026 0.000 1.104 308 I CA 0.803 62.131 61.300 0.046 0.000 1.397 308 I CB -1.481 36.546 38.000 0.046 0.000 1.072 308 I HN 0.310 nan 8.210 nan 0.000 0.417 309 L N 0.785 122.009 121.223 0.002 0.000 2.141 309 L HA -0.132 4.211 4.340 0.005 0.000 0.209 309 L C 2.741 179.627 176.870 0.026 0.000 1.094 309 L CA 1.136 55.980 54.840 0.007 0.000 0.763 309 L CB -0.684 41.370 42.059 -0.008 0.000 0.908 309 L HN 0.174 nan 8.230 nan 0.000 0.437 310 A N -0.424 122.415 122.820 0.032 0.000 2.024 310 A HA -0.014 4.309 4.320 0.005 0.000 0.220 310 A C 1.943 179.564 177.584 0.061 0.000 1.164 310 A CA 1.741 53.810 52.037 0.053 0.000 0.643 310 A CB -0.463 18.573 19.000 0.061 0.000 0.806 310 A HN 0.578 nan 8.150 nan 0.000 0.451 311 G N -2.945 105.889 108.800 0.057 0.000 2.421 311 G HA2 -0.078 3.884 3.960 0.005 0.000 0.188 311 G HA3 -0.078 3.884 3.960 0.005 0.000 0.188 311 G C -0.051 174.893 174.900 0.074 0.000 1.001 311 G CA -0.158 44.978 45.100 0.062 0.000 0.693 311 G HN 0.333 nan 8.290 nan 0.000 0.479 312 L N 2.177 123.447 121.223 0.080 0.000 2.514 312 L HA 0.294 4.636 4.340 0.005 0.000 0.280 312 L C 1.258 178.196 176.870 0.112 0.000 1.223 312 L CA 0.888 55.788 54.840 0.101 0.000 0.864 312 L CB 0.489 42.612 42.059 0.107 0.000 1.118 312 L HN 0.130 nan 8.230 nan 0.000 0.494 313 D N 1.181 121.665 120.400 0.140 0.000 2.369 313 D HA 0.094 4.737 4.640 0.005 0.000 0.231 313 D C 0.474 176.821 176.300 0.078 0.000 0.967 313 D CA 0.848 54.918 54.000 0.116 0.000 0.905 313 D CB 0.340 41.239 40.800 0.165 0.000 1.044 313 D HN 0.448 nan 8.370 nan 0.000 0.487 314 M N 1.195 120.858 119.600 0.105 0.000 2.393 314 M HA 0.326 4.809 4.480 0.005 0.000 0.316 314 M C -1.782 174.551 176.300 0.054 0.000 1.087 314 M CA -0.619 54.702 55.300 0.035 0.000 0.937 314 M CB 2.191 34.755 32.600 -0.060 0.000 1.668 314 M HN -0.317 nan 8.290 nan 0.000 0.438 315 I N 5.691 126.231 120.570 -0.049 0.000 2.330 315 I HA 0.259 4.432 4.170 0.005 0.000 0.289 315 I C -0.109 175.845 176.117 -0.271 0.000 1.001 315 I CA -0.409 60.763 61.300 -0.213 0.000 1.193 315 I CB 1.235 38.896 38.000 -0.566 0.000 1.345 315 I HN 0.911 nan 8.210 nan 0.000 0.461 316 M N 7.344 126.849 119.600 -0.157 0.000 2.821 316 M HA 0.097 4.580 4.480 0.005 0.000 0.305 316 M C 0.557 176.679 176.300 -0.298 0.000 1.466 316 M CA -0.051 55.142 55.300 -0.179 0.000 1.526 316 M CB 0.178 32.720 32.600 -0.095 0.000 1.321 316 M HN 0.493 nan 8.290 nan 0.000 0.492 317 V N 5.624 125.315 119.914 -0.372 0.000 2.231 317 V HA -0.186 3.937 4.120 0.005 0.000 0.250 317 V C -0.818 175.028 176.094 -0.414 0.000 1.058 317 V CA 2.102 64.185 62.300 -0.362 0.000 1.022 317 V CB -1.828 29.834 31.823 -0.269 0.000 0.640 317 V HN 0.741 nan 8.190 nan 0.000 0.445 318 P HA 0.113 nan 4.420 nan 0.000 0.275 318 P C 0.668 177.761 177.300 -0.346 0.000 1.310 318 P CA 0.617 63.377 63.100 -0.567 0.000 0.904 318 P CB 0.341 31.432 31.700 -1.016 0.000 1.381 319 N N 0.962 119.497 118.700 -0.275 0.000 2.607 319 N HA 0.061 4.804 4.740 0.005 0.000 0.207 319 N C 0.645 176.152 175.510 -0.005 0.000 1.040 319 N CA 0.517 53.501 53.050 -0.110 0.000 0.947 319 N CB 0.012 38.428 38.487 -0.119 0.000 1.293 319 N HN 0.169 nan 8.380 nan 0.000 0.446 320 K N 2.496 122.840 120.400 -0.094 0.000 2.737 320 K HA 0.063 4.386 4.320 0.005 0.000 0.251 320 K C 0.583 177.135 176.600 -0.080 0.000 1.280 320 K CA -0.249 55.946 56.287 -0.152 0.000 1.219 320 K CB -0.519 31.867 32.500 -0.190 0.000 1.587 320 K HN 0.408 nan 8.250 nan 0.000 0.279 321 Y N -0.990 119.319 120.300 0.015 0.000 2.333 321 Y HA -0.244 4.309 4.550 0.005 0.000 0.290 321 Y C 2.171 178.161 175.900 0.151 0.000 1.144 321 Y CA 0.769 58.935 58.100 0.110 0.000 1.228 321 Y CB -0.404 38.084 38.460 0.048 0.000 0.985 321 Y HN 0.307 nan 8.280 nan 0.000 0.542 322 Q N 0.803 120.201 119.800 -0.669 0.000 2.002 322 Q HA -0.348 3.995 4.340 0.005 0.000 0.204 322 Q C 2.562 178.513 176.000 -0.082 0.000 0.988 322 Q CA 2.352 57.942 55.803 -0.356 0.000 0.843 322 Q CB -0.262 28.224 28.738 -0.419 0.000 0.908 322 Q HN 0.770 nan 8.270 nan 0.000 0.420 323 Q N -0.642 119.129 119.800 -0.048 0.000 2.096 323 Q HA -0.229 4.114 4.340 0.005 0.000 0.204 323 Q C 1.922 178.075 176.000 0.255 0.000 0.982 323 Q CA 1.812 57.668 55.803 0.088 0.000 0.850 323 Q CB -0.330 28.446 28.738 0.063 0.000 0.901 323 Q HN 0.443 nan 8.270 nan 0.000 0.422 324 F N 0.980 121.049 119.950 0.199 0.000 2.075 324 F HA -0.188 4.342 4.527 0.004 0.000 0.297 324 F C 1.805 177.638 175.800 0.054 0.000 1.113 324 F CA 1.634 59.740 58.000 0.177 0.000 1.218 324 F CB -0.337 38.768 39.000 0.174 0.000 0.984 324 F HN 0.089 nan 8.300 nan 0.000 0.472 325 I N -0.896 119.638 120.570 -0.059 0.000 2.315 325 I HA -0.285 3.888 4.170 0.005 0.000 0.248 325 I C 2.698 178.709 176.117 -0.177 0.000 1.117 325 I CA 1.365 62.551 61.300 -0.189 0.000 1.404 325 I CB -0.918 37.102 38.000 0.035 0.000 1.071 325 I HN 0.198 nan 8.210 nan 0.000 0.419 326 S N 1.213 116.853 115.700 -0.099 0.000 2.353 326 S HA -0.156 4.317 4.470 0.005 0.000 0.222 326 S C 2.065 176.564 174.600 -0.169 0.000 1.035 326 S CA 1.446 59.588 58.200 -0.098 0.000 1.025 326 S CB -0.253 62.912 63.200 -0.058 0.000 0.902 326 S HN 0.287 nan 8.310 nan 0.000 0.440 327 I N 1.017 121.469 120.570 -0.197 0.000 2.163 327 I HA -0.177 3.996 4.170 0.005 0.000 0.243 327 I C 2.330 178.162 176.117 -0.474 0.000 1.085 327 I CA 1.031 62.134 61.300 -0.328 0.000 1.347 327 I CB -0.362 37.487 38.000 -0.250 0.000 1.044 327 I HN 0.329 nan 8.210 nan 0.000 0.408 328 L N 0.289 121.257 121.223 -0.424 0.000 2.141 328 L HA -0.145 4.198 4.340 0.005 0.000 0.209 328 L C 2.398 179.127 176.870 -0.236 0.000 1.094 328 L CA 1.996 56.626 54.840 -0.349 0.000 0.763 328 L CB -0.901 40.846 42.059 -0.519 0.000 0.908 328 L HN 0.118 nan 8.230 nan 0.000 0.437 329 T N -0.488 113.931 114.554 -0.225 0.000 2.746 329 T HA -0.110 4.243 4.350 0.005 0.000 0.267 329 T C 1.673 176.300 174.700 -0.122 0.000 1.039 329 T CA 1.300 63.317 62.100 -0.139 0.000 1.142 329 T CB -0.756 68.048 68.868 -0.107 0.000 0.866 329 T HN 0.609 nan 8.240 nan 0.000 0.444 330 G N 0.324 109.016 108.800 -0.181 0.000 2.421 330 G HA2 -0.218 3.745 3.960 0.005 0.000 0.216 330 G HA3 -0.218 3.745 3.960 0.005 0.000 0.216 330 G C 1.206 176.048 174.900 -0.097 0.000 1.171 330 G CA 0.731 45.734 45.100 -0.161 0.000 0.775 330 G HN 0.598 nan 8.290 nan 0.000 0.543 331 H N -0.584 118.449 119.070 -0.061 0.000 2.387 331 H HA -0.031 4.527 4.556 0.005 0.000 0.299 331 H C 2.710 178.011 175.328 -0.045 0.000 1.090 331 H CA 0.751 56.768 56.048 -0.051 0.000 1.332 331 H CB 0.255 29.979 29.762 -0.064 0.000 1.386 331 H HN 0.256 nan 8.280 nan 0.000 0.516 332 V N 1.025 120.966 119.914 0.045 0.000 2.283 332 V HA -0.229 3.894 4.120 0.005 0.000 0.243 332 V C 1.907 178.005 176.094 0.006 0.000 1.039 332 V CA 1.520 63.828 62.300 0.013 0.000 1.016 332 V CB -0.361 31.451 31.823 -0.017 0.000 0.650 332 V HN 0.515 nan 8.190 nan 0.000 0.449 333 N N 1.326 120.021 118.700 -0.009 0.000 2.132 333 N HA -0.150 4.593 4.740 0.005 0.000 0.191 333 N C 1.691 177.205 175.510 0.006 0.000 1.015 333 N CA 1.819 54.864 53.050 -0.008 0.000 0.864 333 N CB -0.529 37.946 38.487 -0.019 0.000 1.006 333 N HN 0.570 nan 8.380 nan 0.000 0.430 334 G N -1.123 107.691 108.800 0.022 0.000 3.088 334 G HA2 0.299 4.261 3.960 0.005 0.000 0.212 334 G HA3 0.299 4.261 3.960 0.005 0.000 0.212 334 G C 1.056 175.974 174.900 0.030 0.000 1.173 334 G CA 0.400 45.519 45.100 0.032 0.000 0.779 334 G HN 0.447 nan 8.290 nan 0.000 0.540 335 G N -0.428 108.386 108.800 0.023 0.000 2.205 335 G HA2 -0.387 3.576 3.960 0.005 0.000 0.269 335 G HA3 -0.387 3.576 3.960 0.005 0.000 0.269 335 G C 1.376 176.286 174.900 0.016 0.000 0.977 335 G CA 0.818 45.927 45.100 0.015 0.000 0.652 335 G HN 0.544 nan 8.290 nan 0.000 0.539 336 V N -0.126 119.805 119.914 0.029 0.000 2.332 336 V HA -0.006 4.117 4.120 0.005 0.000 0.248 336 V C 1.641 177.721 176.094 -0.023 0.000 1.055 336 V CA 2.103 64.400 62.300 -0.006 0.000 1.038 336 V CB -0.244 31.554 31.823 -0.041 0.000 0.651 336 V HN 0.518 nan 8.190 nan 0.000 0.450 337 I N 1.969 122.541 120.570 0.003 0.000 2.433 337 I HA 0.362 4.535 4.170 0.005 0.000 0.292 337 I C -2.441 173.678 176.117 0.003 0.000 1.001 337 I CA -2.083 59.215 61.300 -0.003 0.000 1.119 337 I CB 2.387 40.392 38.000 0.008 0.000 1.289 337 I HN 0.081 nan 8.210 nan 0.000 0.438 338 P HA 0.170 nan 4.420 nan 0.000 0.281 338 P C 0.400 177.696 177.300 -0.006 0.000 1.249 338 P CA -0.560 62.538 63.100 -0.003 0.000 0.810 338 P CB 1.177 32.875 31.700 -0.003 0.000 1.008 339 M N 1.661 121.255 119.600 -0.010 0.000 2.267 339 M HA -0.131 4.352 4.480 0.005 0.000 0.263 339 M C 1.907 178.198 176.300 -0.015 0.000 1.063 339 M CA 1.989 57.279 55.300 -0.016 0.000 1.090 339 M CB -1.606 30.983 32.600 -0.019 0.000 1.392 339 M HN 0.488 nan 8.290 nan 0.000 0.422 340 S N -0.477 115.217 115.700 -0.010 0.000 2.402 340 S HA -0.163 4.310 4.470 0.005 0.000 0.229 340 S C 1.965 176.561 174.600 -0.006 0.000 1.021 340 S CA 1.059 59.253 58.200 -0.009 0.000 0.974 340 S CB -0.395 62.801 63.200 -0.007 0.000 0.800 340 S HN 0.343 nan 8.310 nan 0.000 0.484 341 R N 1.822 122.321 120.500 -0.002 0.000 2.070 341 R HA 0.096 4.439 4.340 0.005 0.000 0.233 341 R C 2.124 178.426 176.300 0.003 0.000 1.137 341 R CA 1.658 57.760 56.100 0.004 0.000 0.945 341 R CB -1.039 29.264 30.300 0.006 0.000 0.845 341 R HN 0.428 nan 8.270 nan 0.000 0.430 342 I N 1.365 121.933 120.570 -0.005 0.000 2.163 342 I HA -0.262 3.911 4.170 0.005 0.000 0.243 342 I C 1.492 177.600 176.117 -0.017 0.000 1.085 342 I CA 1.661 62.954 61.300 -0.011 0.000 1.347 342 I CB -1.244 36.742 38.000 -0.023 0.000 1.044 342 I HN 0.213 nan 8.210 nan 0.000 0.408 343 D N 0.498 120.886 120.400 -0.019 0.000 2.144 343 D HA -0.208 4.435 4.640 0.005 0.000 0.199 343 D C 1.861 178.151 176.300 -0.017 0.000 0.984 343 D CA 1.406 55.392 54.000 -0.023 0.000 0.834 343 D CB -0.305 40.480 40.800 -0.025 0.000 0.955 343 D HN 0.427 nan 8.370 nan 0.000 0.465 344 D N 0.389 120.783 120.400 -0.010 0.000 2.117 344 D HA -0.094 4.548 4.640 0.005 0.000 0.197 344 D C 1.967 178.266 176.300 -0.001 0.000 0.987 344 D CA 1.672 55.668 54.000 -0.007 0.000 0.829 344 D CB -0.017 40.782 40.800 -0.001 0.000 0.961 344 D HN 0.069 nan 8.370 nan 0.000 0.460 345 A N -0.028 122.795 122.820 0.004 0.000 1.865 345 A HA -0.126 4.197 4.320 0.005 0.000 0.217 345 A C 2.494 180.068 177.584 -0.017 0.000 1.191 345 A CA 1.828 53.870 52.037 0.009 0.000 0.623 345 A CB -0.951 18.059 19.000 0.018 0.000 0.826 345 A HN 0.229 nan 8.150 nan 0.000 0.444 346 V N -0.356 119.542 119.914 -0.027 0.000 2.626 346 V HA -0.177 3.946 4.120 0.005 0.000 0.252 346 V C 2.617 178.698 176.094 -0.021 0.000 1.067 346 V CA 2.219 64.494 62.300 -0.042 0.000 1.081 346 V CB -1.172 30.623 31.823 -0.046 0.000 0.686 346 V HN 0.597 nan 8.190 nan 0.000 0.468 347 T N -0.223 114.324 114.554 -0.011 0.000 2.746 347 T HA -0.184 4.169 4.350 0.005 0.000 0.267 347 T C 2.144 176.856 174.700 0.019 0.000 1.039 347 T CA 1.556 63.658 62.100 0.003 0.000 1.142 347 T CB -0.167 68.694 68.868 -0.011 0.000 0.866 347 T HN 0.413 nan 8.240 nan 0.000 0.444 348 R N 0.248 120.756 120.500 0.014 0.000 2.075 348 R HA 0.105 4.448 4.340 0.005 0.000 0.232 348 R C 2.382 178.753 176.300 0.118 0.000 1.126 348 R CA 1.096 57.221 56.100 0.042 0.000 0.963 348 R CB -0.371 29.959 30.300 0.050 0.000 0.858 348 R HN 0.397 nan 8.270 nan 0.000 0.435 349 I N 0.532 121.109 120.570 0.012 0.000 2.252 349 I HA -0.272 3.901 4.170 0.005 0.000 0.245 349 I C 2.013 178.123 176.117 -0.012 0.000 1.102 349 I CA 1.247 62.459 61.300 -0.148 0.000 1.385 349 I CB -0.244 37.515 38.000 -0.401 0.000 1.064 349 I HN 0.124 nan 8.210 nan 0.000 0.414 350 L N 0.254 121.499 121.223 0.038 0.000 2.056 350 L HA -0.181 4.161 4.340 0.005 0.000 0.207 350 L C 2.791 179.825 176.870 0.275 0.000 1.078 350 L CA 1.201 56.119 54.840 0.130 0.000 0.749 350 L CB -0.650 41.538 42.059 0.215 0.000 0.901 350 L HN 0.224 nan 8.230 nan 0.000 0.433 351 R N 0.348 120.980 120.500 0.220 0.000 2.096 351 R HA -0.190 4.153 4.340 0.005 0.000 0.240 351 R C 2.206 178.616 176.300 0.184 0.000 1.139 351 R CA 2.099 58.314 56.100 0.192 0.000 0.952 351 R CB -0.371 29.979 30.300 0.085 0.000 0.854 351 R HN 0.146 nan 8.270 nan 0.000 0.436 352 V N 1.505 121.521 119.914 0.170 0.000 2.255 352 V HA -0.276 3.847 4.120 0.005 0.000 0.247 352 V C 2.398 178.566 176.094 0.124 0.000 1.051 352 V CA 2.189 64.577 62.300 0.146 0.000 1.018 352 V CB -0.508 31.475 31.823 0.266 0.000 0.641 352 V HN 0.410 nan 8.190 nan 0.000 0.445 353 K N -0.793 119.684 120.400 0.127 0.000 2.032 353 K HA -0.178 4.145 4.320 0.005 0.000 0.209 353 K C 2.121 178.822 176.600 0.168 0.000 1.048 353 K CA 1.977 58.309 56.287 0.075 0.000 0.927 353 K CB -0.391 32.105 32.500 -0.005 0.000 0.712 353 K HN 0.404 nan 8.250 nan 0.000 0.441 354 F N 1.117 121.193 119.950 0.209 0.000 2.113 354 F HA -0.217 4.312 4.527 0.004 0.000 0.297 354 F C 2.735 178.571 175.800 0.060 0.000 1.103 354 F CA 1.233 59.301 58.000 0.113 0.000 1.248 354 F CB -0.501 38.466 39.000 -0.055 0.000 0.999 354 F HN 0.050 nan 8.300 nan 0.000 0.475 355 T N 1.346 116.039 114.554 0.233 0.000 2.622 355 T HA -0.303 4.050 4.350 0.005 0.000 0.266 355 T C 1.898 176.603 174.700 0.008 0.000 1.047 355 T CA 2.041 64.198 62.100 0.096 0.000 1.159 355 T CB -0.647 68.260 68.868 0.066 0.000 0.863 355 T HN 0.373 nan 8.240 nan 0.000 0.422 356 M N 0.789 120.382 119.600 -0.012 0.000 2.623 356 M HA 0.184 4.667 4.480 0.005 0.000 0.258 356 M C 1.574 177.859 176.300 -0.025 0.000 1.067 356 M CA 1.481 56.737 55.300 -0.074 0.000 1.068 356 M CB -0.689 31.875 32.600 -0.061 0.000 1.409 356 M HN 0.344 nan 8.290 nan 0.000 0.504 357 G N 1.070 109.902 108.800 0.054 0.000 2.136 357 G HA2 -0.231 3.732 3.960 0.005 0.000 0.242 357 G HA3 -0.231 3.732 3.960 0.005 0.000 0.242 357 G C 0.515 175.478 174.900 0.104 0.000 0.989 357 G CA 0.282 45.438 45.100 0.093 0.000 0.682 357 G HN 0.519 nan 8.290 nan 0.000 0.522 358 L N -1.158 120.115 121.223 0.083 0.000 2.127 358 L HA -0.051 4.291 4.340 0.005 0.000 0.211 358 L C 2.655 179.515 176.870 -0.016 0.000 1.089 358 L CA 1.964 56.795 54.840 -0.015 0.000 0.757 358 L CB -0.349 41.640 42.059 -0.116 0.000 0.899 358 L HN 0.379 nan 8.230 nan 0.000 0.434 359 F N 0.112 120.028 119.950 -0.056 0.000 2.293 359 F HA -0.175 4.355 4.527 0.004 0.000 0.300 359 F C 2.325 178.151 175.800 0.043 0.000 1.086 359 F CA 0.930 58.922 58.000 -0.013 0.000 1.375 359 F CB -0.094 38.931 39.000 0.041 0.000 1.045 359 F HN 0.070 nan 8.300 nan 0.000 0.516 360 E N -0.746 119.595 120.200 0.234 0.000 2.250 360 E HA 0.027 4.380 4.350 0.005 0.000 0.192 360 E C 0.098 176.764 176.600 0.111 0.000 0.986 360 E CA 0.603 57.097 56.400 0.158 0.000 0.849 360 E CB 0.009 29.789 29.700 0.134 0.000 0.797 360 E HN 0.165 nan 8.360 nan 0.000 0.482 361 N N 0.695 119.441 118.700 0.077 0.000 2.752 361 N HA 0.118 4.861 4.740 0.005 0.000 0.260 361 N C -2.322 173.186 175.510 -0.003 0.000 1.562 361 N CA -0.640 52.447 53.050 0.062 0.000 0.788 361 N CB 1.633 40.153 38.487 0.054 0.000 1.192 361 N HN 0.068 nan 8.380 nan 0.000 0.503 362 P HA 0.038 nan 4.420 nan 0.000 0.245 362 P C -0.325 176.697 177.300 -0.463 0.000 1.206 362 P CA 0.525 63.443 63.100 -0.304 0.000 0.781 362 P CB 0.376 31.809 31.700 -0.446 0.000 0.994 363 Y N 0.296 120.597 120.300 0.002 0.000 2.568 363 Y HA 0.579 5.131 4.550 0.004 0.000 0.327 363 Y C 1.070 176.975 175.900 0.008 0.000 1.163 363 Y CA -1.375 56.729 58.100 0.006 0.000 1.219 363 Y CB 0.563 39.025 38.460 0.004 0.000 1.308 363 Y HN -0.168 nan 8.280 nan 0.000 0.503 364 A N 0.753 123.683 122.820 0.183 0.000 2.386 364 A HA 0.226 4.548 4.320 0.005 0.000 0.248 364 A C -0.621 177.019 177.584 0.093 0.000 1.082 364 A CA -0.295 51.804 52.037 0.103 0.000 0.789 364 A CB 0.011 19.061 19.000 0.083 0.000 1.025 364 A HN 0.670 nan 8.150 nan 0.000 0.490 365 D N 1.498 121.936 120.400 0.063 0.000 2.329 365 D HA 0.397 5.040 4.640 0.005 0.000 0.232 365 D C -2.021 174.303 176.300 0.041 0.000 1.088 365 D CA -1.917 52.113 54.000 0.050 0.000 0.835 365 D CB 1.533 42.357 40.800 0.041 0.000 1.078 365 D HN 0.080 nan 8.370 nan 0.000 0.495 366 P HA 0.018 nan 4.420 nan 0.000 0.226 366 P C 0.802 178.117 177.300 0.026 0.000 1.153 366 P CA 0.654 63.771 63.100 0.029 0.000 0.777 366 P CB 0.334 32.046 31.700 0.019 0.000 0.794 367 A N -0.811 122.024 122.820 0.025 0.000 2.014 367 A HA -0.096 4.227 4.320 0.005 0.000 0.218 367 A C 1.922 179.521 177.584 0.024 0.000 1.163 367 A CA 1.206 53.255 52.037 0.022 0.000 0.652 367 A CB -1.105 17.907 19.000 0.020 0.000 0.808 367 A HN 0.044 nan 8.150 nan 0.000 0.449 368 M N -0.463 119.154 119.600 0.028 0.000 2.557 368 M HA 0.026 4.509 4.480 0.005 0.000 0.259 368 M C 2.300 178.618 176.300 0.030 0.000 1.086 368 M CA 0.969 56.286 55.300 0.030 0.000 1.096 368 M CB -1.266 31.352 32.600 0.029 0.000 1.424 368 M HN 0.495 nan 8.290 nan 0.000 0.488 369 A N 0.865 123.704 122.820 0.031 0.000 1.917 369 A HA -0.175 4.147 4.320 0.005 0.000 0.219 369 A C 1.968 179.569 177.584 0.027 0.000 1.182 369 A CA 1.531 53.589 52.037 0.035 0.000 0.633 369 A CB -0.611 18.413 19.000 0.040 0.000 0.819 369 A HN 0.529 nan 8.150 nan 0.000 0.448 370 E N -0.315 119.896 120.200 0.018 0.000 2.515 370 E HA -0.135 4.217 4.350 0.005 0.000 0.201 370 E C 1.702 178.299 176.600 -0.005 0.000 1.071 370 E CA 0.379 56.781 56.400 0.004 0.000 0.880 370 E CB -0.081 29.617 29.700 -0.003 0.000 0.828 370 E HN 0.603 nan 8.360 nan 0.000 0.540 371 Q N 0.147 119.961 119.800 0.023 0.000 2.172 371 Q HA -0.054 4.289 4.340 0.005 0.000 0.200 371 Q C 0.992 177.035 176.000 0.073 0.000 0.964 371 Q CA 0.256 56.095 55.803 0.060 0.000 0.855 371 Q CB -0.330 28.479 28.738 0.119 0.000 0.918 371 Q HN 0.230 nan 8.270 nan 0.000 0.444 372 L N 1.198 122.447 121.223 0.042 0.000 2.615 372 L HA 0.076 4.419 4.340 0.005 0.000 0.271 372 L C 0.917 177.785 176.870 -0.003 0.000 1.183 372 L CA 1.478 56.333 54.840 0.026 0.000 0.933 372 L CB 0.011 42.069 42.059 -0.002 0.000 1.199 372 L HN 0.515 nan 8.230 nan 0.000 0.487 373 G N 2.965 111.771 108.800 0.009 0.000 2.179 373 G HA2 -0.368 3.595 3.960 0.005 0.000 0.257 373 G HA3 -0.368 3.595 3.960 0.005 0.000 0.257 373 G C 0.572 175.405 174.900 -0.111 0.000 1.010 373 G CA 0.522 45.587 45.100 -0.058 0.000 0.736 373 G HN 0.785 nan 8.290 nan 0.000 0.513 374 K N -0.332 119.947 120.400 -0.202 0.000 2.485 374 K HA 0.170 4.493 4.320 0.005 0.000 0.277 374 K C 1.697 178.105 176.600 -0.320 0.000 0.990 374 K CA 0.377 56.447 56.287 -0.360 0.000 0.994 374 K CB 0.458 32.532 32.500 -0.710 0.000 0.906 374 K HN 0.154 nan 8.250 nan 0.000 0.488 375 Q N 2.670 122.349 119.800 -0.202 0.000 2.181 375 Q HA -0.209 4.134 4.340 0.005 0.000 0.205 375 Q C 0.809 176.742 176.000 -0.112 0.000 0.980 375 Q CA 2.002 57.726 55.803 -0.132 0.000 0.862 375 Q CB 0.100 28.784 28.738 -0.090 0.000 0.905 375 Q HN 0.686 nan 8.270 nan 0.000 0.429 376 E N -1.108 119.005 120.200 -0.144 0.000 2.150 376 E HA -0.159 4.194 4.350 0.005 0.000 0.193 376 E C 1.833 178.474 176.600 0.068 0.000 0.985 376 E CA 1.328 57.701 56.400 -0.045 0.000 0.814 376 E CB -0.174 29.510 29.700 -0.028 0.000 0.752 376 E HN 0.516 nan 8.360 nan 0.000 0.466 377 H N 0.145 119.224 119.070 0.015 0.000 2.326 377 H HA 0.065 4.623 4.556 0.004 0.000 0.301 377 H C 1.997 177.307 175.328 -0.030 0.000 1.081 377 H CA 1.213 57.303 56.048 0.069 0.000 1.334 377 H CB -0.242 29.578 29.762 0.097 0.000 1.385 377 H HN 0.074 nan 8.280 nan 0.000 0.504 378 R N 0.480 120.982 120.500 0.003 0.000 2.091 378 R HA -0.130 4.213 4.340 0.005 0.000 0.238 378 R C 1.698 177.954 176.300 -0.073 0.000 1.136 378 R CA 1.512 57.544 56.100 -0.112 0.000 0.959 378 R CB -0.078 30.152 30.300 -0.117 0.000 0.856 378 R HN 0.360 nan 8.270 nan 0.000 0.437 379 D N 0.736 121.120 120.400 -0.026 0.000 2.144 379 D HA -0.158 4.485 4.640 0.005 0.000 0.199 379 D C 1.831 178.129 176.300 -0.002 0.000 0.984 379 D CA 0.825 54.816 54.000 -0.015 0.000 0.834 379 D CB -0.176 40.625 40.800 0.001 0.000 0.955 379 D HN 0.093 nan 8.370 nan 0.000 0.465 380 L N 0.748 122.001 121.223 0.050 0.000 2.056 380 L HA -0.022 4.321 4.340 0.005 0.000 0.207 380 L C 2.084 179.021 176.870 0.112 0.000 1.078 380 L CA 1.645 56.542 54.840 0.096 0.000 0.749 380 L CB -0.652 41.523 42.059 0.192 0.000 0.901 380 L HN -0.039 nan 8.230 nan 0.000 0.433 381 A N -0.135 122.707 122.820 0.035 0.000 1.877 381 A HA -0.248 4.074 4.320 0.005 0.000 0.216 381 A C 2.527 180.078 177.584 -0.055 0.000 1.186 381 A CA 1.746 53.728 52.037 -0.091 0.000 0.620 381 A CB -0.711 17.964 19.000 -0.541 0.000 0.822 381 A HN 0.520 nan 8.150 nan 0.000 0.443 382 R N -0.103 120.348 120.500 -0.081 0.000 2.103 382 R HA -0.234 4.109 4.340 0.005 0.000 0.242 382 R C 2.212 178.459 176.300 -0.089 0.000 1.142 382 R CA 2.082 58.136 56.100 -0.075 0.000 0.960 382 R CB -0.342 29.917 30.300 -0.069 0.000 0.858 382 R HN 0.741 nan 8.270 nan 0.000 0.439 383 E N -0.349 119.798 120.200 -0.088 0.000 2.031 383 E HA -0.218 4.135 4.350 0.005 0.000 0.193 383 E C 1.832 178.376 176.600 -0.093 0.000 0.994 383 E CA 1.339 57.656 56.400 -0.140 0.000 0.800 383 E CB -0.207 29.433 29.700 -0.100 0.000 0.752 383 E HN 0.494 nan 8.360 nan 0.000 0.447 384 A N 1.139 123.953 122.820 -0.011 0.000 1.940 384 A HA -0.139 4.184 4.320 0.005 0.000 0.219 384 A C 2.351 179.964 177.584 0.047 0.000 1.176 384 A CA 1.945 54.005 52.037 0.037 0.000 0.631 384 A CB -0.741 18.326 19.000 0.112 0.000 0.814 384 A HN 0.443 nan 8.150 nan 0.000 0.446 385 A N -0.251 122.587 122.820 0.029 0.000 1.855 385 A HA -0.164 4.159 4.320 0.005 0.000 0.215 385 A C 2.293 179.889 177.584 0.021 0.000 1.191 385 A CA 1.669 53.733 52.037 0.045 0.000 0.613 385 A CB -0.590 18.420 19.000 0.017 0.000 0.829 385 A HN 0.462 nan 8.150 nan 0.000 0.442 386 R N 0.408 120.874 120.500 -0.057 0.000 2.096 386 R HA -0.171 4.172 4.340 0.005 0.000 0.240 386 R C 1.837 178.082 176.300 -0.091 0.000 1.139 386 R CA 2.168 58.195 56.100 -0.123 0.000 0.952 386 R CB -0.455 29.700 30.300 -0.241 0.000 0.854 386 R HN 0.561 nan 8.270 nan 0.000 0.436 387 K N 0.365 120.727 120.400 -0.064 0.000 2.283 387 K HA -0.053 4.269 4.320 0.005 0.000 0.202 387 K C 1.921 178.571 176.600 0.083 0.000 1.048 387 K CA 1.408 57.689 56.287 -0.009 0.000 0.948 387 K CB -0.027 32.465 32.500 -0.014 0.000 0.742 387 K HN 0.315 nan 8.250 nan 0.000 0.458 388 S N 0.669 116.446 115.700 0.129 0.000 2.527 388 S HA 0.041 4.513 4.470 0.005 0.000 0.222 388 S C 0.820 175.648 174.600 0.380 0.000 0.985 388 S CA -0.236 58.115 58.200 0.252 0.000 0.921 388 S CB -0.388 62.981 63.200 0.281 0.000 0.772 388 S HN 0.083 nan 8.310 nan 0.000 0.529 389 L N 2.201 123.568 121.223 0.241 0.000 2.456 389 L HA 0.350 4.693 4.340 0.005 0.000 0.272 389 L C -0.577 176.451 176.870 0.264 0.000 1.189 389 L CA -0.576 54.394 54.840 0.217 0.000 0.846 389 L CB 0.626 42.803 42.059 0.197 0.000 1.111 389 L HN 0.030 nan 8.230 nan 0.000 0.475 390 V N 4.260 124.253 119.914 0.132 0.000 2.376 390 V HA 0.196 4.319 4.120 0.005 0.000 0.287 390 V C -0.078 175.950 176.094 -0.109 0.000 1.015 390 V CA -0.598 61.754 62.300 0.087 0.000 0.834 390 V CB 1.643 33.555 31.823 0.148 0.000 1.001 390 V HN 0.442 nan 8.190 nan 0.000 0.428 391 L N 5.717 126.813 121.223 -0.211 0.000 2.500 391 L HA 0.252 4.595 4.340 0.005 0.000 0.272 391 L C 0.766 177.419 176.870 -0.362 0.000 1.149 391 L CA 0.839 55.384 54.840 -0.492 0.000 0.897 391 L CB 0.322 41.874 42.059 -0.845 0.000 1.178 391 L HN 0.611 nan 8.230 nan 0.000 0.473 392 L N 4.082 125.081 121.223 -0.374 0.000 2.463 392 L HA 0.242 4.585 4.340 0.005 0.000 0.219 392 L C 0.587 177.325 176.870 -0.219 0.000 1.088 392 L CA 0.130 54.729 54.840 -0.401 0.000 0.849 392 L CB -0.093 41.545 42.059 -0.702 0.000 1.012 392 L HN 0.648 nan 8.230 nan 0.000 0.468 393 K N 0.289 120.558 120.400 -0.219 0.000 2.570 393 K HA 0.175 4.497 4.320 0.005 0.000 0.256 393 K C -1.449 175.046 176.600 -0.175 0.000 0.939 393 K CA -0.434 55.773 56.287 -0.134 0.000 0.833 393 K CB 1.575 34.010 32.500 -0.108 0.000 1.318 393 K HN -0.233 nan 8.250 nan 0.000 0.433 394 N N 2.390 121.006 118.700 -0.141 0.000 2.765 394 N HA 0.382 5.125 4.740 0.005 0.000 0.277 394 N C -1.545 173.908 175.510 -0.094 0.000 1.750 394 N CA 0.417 53.377 53.050 -0.151 0.000 0.827 394 N CB 1.444 39.813 38.487 -0.196 0.000 1.200 394 N HN 0.905 nan 8.380 nan 0.000 0.494 395 G N 0.959 109.714 108.800 -0.075 0.000 2.306 395 G HA2 -0.025 3.938 3.960 0.005 0.000 0.340 395 G HA3 -0.025 3.938 3.960 0.005 0.000 0.340 395 G C 0.024 174.900 174.900 -0.039 0.000 1.630 395 G CA -0.705 44.365 45.100 -0.050 0.000 0.937 395 G HN 0.189 nan 8.290 nan 0.000 0.693 396 K N -0.811 119.571 120.400 -0.030 0.000 2.167 396 K HA 0.126 4.449 4.320 0.005 0.000 0.203 396 K C 1.402 177.990 176.600 -0.020 0.000 1.052 396 K CA 1.603 57.875 56.287 -0.025 0.000 0.956 396 K CB 0.114 32.603 32.500 -0.019 0.000 0.735 396 K HN 0.868 nan 8.250 nan 0.000 0.451 397 T N -2.922 111.622 114.554 -0.016 0.000 2.903 397 T HA 0.111 4.464 4.350 0.005 0.000 0.299 397 T C 0.842 175.535 174.700 -0.011 0.000 1.093 397 T CA -0.545 61.547 62.100 -0.013 0.000 1.002 397 T CB 1.806 70.668 68.868 -0.010 0.000 1.127 397 T HN 0.025 nan 8.240 nan 0.000 0.488 398 S N 0.810 116.505 115.700 -0.008 0.000 2.488 398 S HA -0.145 4.328 4.470 0.005 0.000 0.246 398 S C 1.589 176.186 174.600 -0.006 0.000 0.992 398 S CA 1.563 59.759 58.200 -0.006 0.000 0.963 398 S CB -1.222 61.976 63.200 -0.003 0.000 0.754 398 S HN 1.205 nan 8.310 nan 0.000 0.519 399 T N -2.994 111.556 114.554 -0.006 0.000 3.044 399 T HA 0.277 4.629 4.350 0.005 0.000 0.260 399 T C -0.118 174.579 174.700 -0.004 0.000 1.019 399 T CA -0.476 61.621 62.100 -0.004 0.000 0.921 399 T CB -0.164 68.702 68.868 -0.003 0.000 1.053 399 T HN 0.113 nan 8.240 nan 0.000 0.533 400 D N 2.478 122.873 120.400 -0.007 0.000 2.361 400 D HA 0.538 5.180 4.640 0.005 0.000 0.239 400 D C 0.188 176.483 176.300 -0.008 0.000 1.200 400 D CA -0.047 53.949 54.000 -0.007 0.000 0.915 400 D CB 0.778 41.572 40.800 -0.011 0.000 1.170 400 D HN 0.483 nan 8.370 nan 0.000 0.444 401 A N 1.973 124.790 122.820 -0.005 0.000 2.362 401 A HA 0.384 4.707 4.320 0.005 0.000 0.276 401 A C -2.037 175.538 177.584 -0.016 0.000 1.153 401 A CA -1.123 50.911 52.037 -0.005 0.000 0.813 401 A CB -0.156 18.845 19.000 0.003 0.000 1.081 401 A HN 0.374 nan 8.150 nan 0.000 0.507 402 P HA -0.036 nan 4.420 nan 0.000 0.264 402 P C 0.669 177.941 177.300 -0.046 0.000 1.193 402 P CA -0.211 62.866 63.100 -0.039 0.000 0.763 402 P CB 0.801 32.478 31.700 -0.038 0.000 0.810 403 L N 4.778 125.961 121.223 -0.066 0.000 2.056 403 L HA -0.013 4.330 4.340 0.005 0.000 0.207 403 L C 0.907 177.705 176.870 -0.119 0.000 1.078 403 L CA 1.584 56.373 54.840 -0.085 0.000 0.749 403 L CB -0.498 41.504 42.059 -0.095 0.000 0.901 403 L HN 0.295 nan 8.230 nan 0.000 0.433 404 L N 1.326 122.478 121.223 -0.118 0.000 2.357 404 L HA 0.388 4.731 4.340 0.005 0.000 0.273 404 L C -2.070 174.781 176.870 -0.031 0.000 1.080 404 L CA -2.040 52.742 54.840 -0.096 0.000 0.803 404 L CB 0.577 42.582 42.059 -0.091 0.000 1.174 404 L HN 0.039 nan 8.230 nan 0.000 0.443 405 P HA 0.264 nan 4.420 nan 0.000 0.282 405 P C -0.785 176.463 177.300 -0.087 0.000 1.249 405 P CA -0.528 62.563 63.100 -0.014 0.000 0.806 405 P CB 1.116 32.845 31.700 0.049 0.000 0.984 406 L N 3.896 124.980 121.223 -0.231 0.000 2.439 406 L HA 0.260 4.603 4.340 0.005 0.000 0.269 406 L C -1.532 175.389 176.870 0.084 0.000 1.179 406 L CA -1.776 52.888 54.840 -0.294 0.000 0.828 406 L CB -0.263 41.335 42.059 -0.768 0.000 1.106 406 L HN 0.289 nan 8.230 nan 0.000 0.467 407 P HA 0.071 nan 4.420 nan 0.000 0.271 407 P C -0.636 176.878 177.300 0.357 0.000 1.218 407 P CA -0.274 62.971 63.100 0.242 0.000 0.780 407 P CB 1.074 32.907 31.700 0.221 0.000 0.901 408 K N 1.027 121.538 120.400 0.185 0.000 2.314 408 K HA 0.024 4.347 4.320 0.005 0.000 0.198 408 K C 1.086 177.708 176.600 0.036 0.000 1.045 408 K CA 0.692 56.978 56.287 -0.002 0.000 0.988 408 K CB 0.171 32.586 32.500 -0.141 0.000 0.783 408 K HN 0.350 nan 8.250 nan 0.000 0.484 409 K N 1.285 121.733 120.400 0.079 0.000 2.281 409 K HA 0.403 4.726 4.320 0.005 0.000 0.272 409 K C -1.586 175.074 176.600 0.100 0.000 1.048 409 K CA -0.343 55.981 56.287 0.061 0.000 0.898 409 K CB 1.236 33.760 32.500 0.041 0.000 1.128 409 K HN 0.003 nan 8.250 nan 0.000 0.460 410 A N 5.124 127.993 122.820 0.082 0.000 2.549 410 A HA 0.461 4.784 4.320 0.005 0.000 0.297 410 A C -2.484 175.107 177.584 0.012 0.000 1.061 410 A CA -1.454 50.619 52.037 0.059 0.000 0.690 410 A CB 1.499 20.523 19.000 0.041 0.000 1.287 410 A HN 0.551 nan 8.150 nan 0.000 0.402 411 P HA -0.104 nan 4.420 nan 0.000 0.216 411 P C 0.101 177.400 177.300 -0.001 0.000 1.153 411 P CA 1.540 64.638 63.100 -0.004 0.000 0.858 411 P CB 0.258 31.950 31.700 -0.013 0.000 0.789 412 K N -0.558 119.838 120.400 -0.005 0.000 2.572 412 K HA 0.415 4.738 4.320 0.005 0.000 0.263 412 K C -1.565 175.072 176.600 0.061 0.000 0.932 412 K CA -0.832 55.487 56.287 0.054 0.000 0.838 412 K CB 1.244 33.781 32.500 0.063 0.000 1.366 412 K HN -0.059 nan 8.250 nan 0.000 0.425 413 I N 0.407 121.013 120.570 0.060 0.000 3.074 413 I HA 0.640 4.813 4.170 0.005 0.000 0.310 413 I C -1.880 174.098 176.117 -0.232 0.000 1.153 413 I CA -1.314 59.899 61.300 -0.146 0.000 0.993 413 I CB 2.061 39.892 38.000 -0.282 0.000 1.237 413 I HN 0.544 nan 8.210 nan 0.000 0.443 414 L N 4.106 125.026 121.223 -0.505 0.000 2.341 414 L HA 0.725 5.068 4.340 0.005 0.000 0.278 414 L C -1.295 175.491 176.870 -0.139 0.000 1.005 414 L CA -0.445 54.052 54.840 -0.571 0.000 0.818 414 L CB 1.839 43.195 42.059 -1.171 0.000 1.259 414 L HN 0.528 nan 8.230 nan 0.000 0.418 415 V N 4.976 124.907 119.914 0.028 0.000 2.448 415 V HA 0.947 5.070 4.120 0.005 0.000 0.295 415 V C 0.065 176.301 176.094 0.236 0.000 1.025 415 V CA 0.012 62.415 62.300 0.171 0.000 0.859 415 V CB 0.956 32.914 31.823 0.225 0.000 0.988 415 V HN 1.026 nan 8.190 nan 0.000 0.431 416 A N 3.344 126.259 122.820 0.158 0.000 2.527 416 A HA 1.066 5.388 4.320 0.005 0.000 0.293 416 A C -0.040 177.632 177.584 0.147 0.000 1.117 416 A CA -0.282 51.798 52.037 0.072 0.000 0.723 416 A CB 1.982 20.961 19.000 -0.035 0.000 1.313 416 A HN 2.183 nan 8.150 nan 0.000 0.411 417 G N -0.801 108.065 108.800 0.110 0.000 2.640 417 G HA2 0.352 4.314 3.960 0.005 0.000 0.686 417 G HA3 0.352 4.314 3.960 0.005 0.000 0.686 417 G C 0.523 175.578 174.900 0.259 0.000 1.229 417 G CA 0.438 45.633 45.100 0.158 0.000 0.796 417 G HN 2.125 nan 8.290 nan 0.000 0.654 418 S N -0.289 115.586 115.700 0.292 0.000 2.442 418 S HA -0.123 4.350 4.470 0.005 0.000 0.236 418 S C 1.430 176.340 174.600 0.516 0.000 1.007 418 S CA 2.138 60.581 58.200 0.406 0.000 0.965 418 S CB -0.162 63.354 63.200 0.526 0.000 0.773 418 S HN 0.848 nan 8.310 nan 0.000 0.504 419 H N 0.290 119.508 119.070 0.246 0.000 2.652 419 H HA 0.623 5.182 4.556 0.005 0.000 0.274 419 H C 1.986 177.400 175.328 0.144 0.000 1.021 419 H CA -0.114 56.077 56.048 0.237 0.000 1.187 419 H CB -0.185 29.701 29.762 0.206 0.000 1.505 419 H HN 0.490 nan 8.280 nan 0.000 0.530 420 A N 0.170 123.145 122.820 0.257 0.000 1.969 420 A HA -0.115 4.208 4.320 0.005 0.000 0.218 420 A C 0.804 178.385 177.584 -0.006 0.000 1.169 420 A CA 1.885 54.019 52.037 0.161 0.000 0.635 420 A CB 0.097 19.270 19.000 0.289 0.000 0.810 420 A HN 0.287 nan 8.150 nan 0.000 0.445 421 D N -0.975 119.388 120.400 -0.060 0.000 2.879 421 D HA 0.167 4.810 4.640 0.005 0.000 0.351 421 D C -1.075 175.136 176.300 -0.148 0.000 1.239 421 D CA -0.332 53.549 54.000 -0.198 0.000 0.771 421 D CB -0.242 40.266 40.800 -0.486 0.000 1.176 421 D HN 0.128 nan 8.370 nan 0.000 0.496 422 N N 2.093 120.718 118.700 -0.124 0.000 2.607 422 N HA 0.070 4.812 4.740 0.005 0.000 0.271 422 N C 0.479 175.897 175.510 -0.153 0.000 1.142 422 N CA -0.443 52.474 53.050 -0.222 0.000 0.810 422 N CB 1.146 39.377 38.487 -0.428 0.000 1.306 422 N HN 0.127 nan 8.380 nan 0.000 0.536 423 L N 3.672 124.820 121.223 -0.125 0.000 2.042 423 L HA 0.095 4.438 4.340 0.005 0.000 0.210 423 L C 2.015 178.855 176.870 -0.050 0.000 1.076 423 L CA 2.278 57.072 54.840 -0.076 0.000 0.749 423 L CB -0.719 41.294 42.059 -0.076 0.000 0.893 423 L HN 0.672 nan 8.230 nan 0.000 0.432 424 G N -2.076 106.678 108.800 -0.077 0.000 2.402 424 G HA2 -0.267 3.696 3.960 0.005 0.000 0.216 424 G HA3 -0.267 3.696 3.960 0.005 0.000 0.216 424 G C 1.613 176.563 174.900 0.084 0.000 1.162 424 G CA 0.795 45.886 45.100 -0.015 0.000 0.777 424 G HN 0.491 nan 8.290 nan 0.000 0.539 425 Y N 0.282 120.487 120.300 -0.159 0.000 2.145 425 Y HA -0.212 4.341 4.550 0.005 0.000 0.286 425 Y C 3.169 179.012 175.900 -0.095 0.000 1.145 425 Y CA 1.202 59.170 58.100 -0.220 0.000 1.148 425 Y CB -0.062 38.061 38.460 -0.561 0.000 0.981 425 Y HN 0.258 nan 8.280 nan 0.000 0.507 426 Q N -0.327 119.538 119.800 0.109 0.000 2.248 426 Q HA -0.227 4.115 4.340 0.005 0.000 0.208 426 Q C 1.972 178.021 176.000 0.082 0.000 0.984 426 Q CA 1.790 57.651 55.803 0.096 0.000 0.875 426 Q CB -0.184 28.585 28.738 0.051 0.000 0.910 426 Q HN 0.502 nan 8.270 nan 0.000 0.433 427 C N -0.717 118.626 119.300 0.072 0.000 2.527 427 C HA 0.409 4.872 4.460 0.005 0.000 0.280 427 C C 1.303 176.376 174.990 0.138 0.000 1.353 427 C CA 0.225 59.307 59.018 0.106 0.000 1.749 427 C CB -0.712 27.075 27.740 0.079 0.000 2.088 427 C HN 0.848 nan 8.230 nan 0.000 0.508 428 G N 0.189 109.016 108.800 0.045 0.000 2.693 428 G HA2 0.158 4.121 3.960 0.005 0.000 0.226 428 G HA3 0.158 4.121 3.960 0.005 0.000 0.226 428 G C 0.109 174.972 174.900 -0.063 0.000 1.354 428 G CA -0.478 44.556 45.100 -0.110 0.000 0.873 428 G HN 0.861 nan 8.290 nan 0.000 0.562 429 G N -2.545 106.077 108.800 -0.296 0.000 2.699 429 G HA2 0.461 4.424 3.960 0.005 0.000 0.246 429 G HA3 0.461 4.424 3.960 0.005 0.000 0.246 429 G C 0.409 175.466 174.900 0.261 0.000 1.219 429 G CA 0.716 45.709 45.100 -0.178 0.000 0.866 429 G HN 1.817 nan 8.290 nan 0.000 0.572 430 W N -1.376 120.042 121.300 0.198 0.000 5.447 430 W HA -0.158 4.506 4.660 0.005 0.000 0.421 430 W C 0.070 176.839 176.519 0.417 0.000 1.665 430 W CA 0.491 58.047 57.345 0.351 0.000 0.941 430 W CB -1.695 28.029 29.460 0.439 0.000 2.889 430 W HN 0.645 nan 8.180 nan 0.000 1.320 431 T N 1.440 116.247 114.554 0.421 0.000 3.578 431 T HA 0.311 4.663 4.350 0.005 0.000 0.329 431 T C 0.599 175.412 174.700 0.189 0.000 0.913 431 T CA -0.283 61.971 62.100 0.258 0.000 1.029 431 T CB 1.364 70.352 68.868 0.199 0.000 1.045 431 T HN 0.133 nan 8.240 nan 0.000 0.460 432 I N -0.298 120.384 120.570 0.187 0.000 4.701 432 I HA -0.261 3.912 4.170 0.005 0.000 0.046 432 I C 0.848 177.095 176.117 0.217 0.000 0.626 432 I CA 1.697 63.113 61.300 0.192 0.000 0.723 432 I CB -1.452 36.639 38.000 0.152 0.000 0.675 432 I HN 0.548 nan 8.210 nan 0.000 0.157 433 E N 0.071 120.380 120.200 0.180 0.000 2.254 433 E HA 0.080 4.433 4.350 0.005 0.000 0.261 433 E C 0.619 177.345 176.600 0.210 0.000 1.051 433 E CA -0.287 56.221 56.400 0.180 0.000 0.902 433 E CB 0.621 30.391 29.700 0.117 0.000 1.168 433 E HN 0.405 nan 8.360 nan 0.000 0.423 434 W N 1.899 123.174 121.300 -0.042 0.000 2.353 434 W HA -0.156 4.507 4.660 0.005 0.000 0.319 434 W C 1.312 177.597 176.519 -0.390 0.000 1.207 434 W CA 1.480 58.674 57.345 -0.251 0.000 1.291 434 W CB -0.073 29.209 29.460 -0.296 0.000 1.159 434 W HN 0.346 nan 8.180 nan 0.000 0.478 435 Q N 1.127 120.708 119.800 -0.365 0.000 2.466 435 Q HA 0.232 4.575 4.340 0.005 0.000 0.210 435 Q C 1.094 176.943 176.000 -0.252 0.000 0.961 435 Q CA 1.163 56.642 55.803 -0.539 0.000 0.953 435 Q CB -0.661 27.821 28.738 -0.427 0.000 1.011 435 Q HN 0.429 nan 8.270 nan 0.000 0.516 436 G N 1.128 109.864 108.800 -0.105 0.000 2.681 436 G HA2 -0.168 3.795 3.960 0.005 0.000 0.220 436 G HA3 -0.168 3.795 3.960 0.005 0.000 0.220 436 G C -0.759 174.145 174.900 0.006 0.000 1.353 436 G CA -0.073 45.019 45.100 -0.013 0.000 0.872 436 G HN 0.330 nan 8.290 nan 0.000 0.557 437 D N -2.726 117.692 120.400 0.030 0.000 2.738 437 D HA 0.642 5.285 4.640 0.005 0.000 0.308 437 D C -0.260 176.054 176.300 0.024 0.000 1.311 437 D CA 0.637 54.654 54.000 0.028 0.000 0.799 437 D CB 1.213 42.031 40.800 0.029 0.000 1.332 437 D HN 0.811 nan 8.370 nan 0.000 0.441 438 T N -0.645 113.888 114.554 -0.035 0.000 2.945 438 T HA 0.691 5.043 4.350 0.005 0.000 0.286 438 T C 0.499 175.078 174.700 -0.202 0.000 1.025 438 T CA 1.139 63.125 62.100 -0.189 0.000 1.039 438 T CB 0.496 69.215 68.868 -0.247 0.000 1.068 438 T HN 1.002 nan 8.240 nan 0.000 0.497 439 G N 2.304 110.920 108.800 -0.306 0.000 2.693 439 G HA2 -0.200 3.763 3.960 0.005 0.000 0.226 439 G HA3 -0.200 3.763 3.960 0.005 0.000 0.226 439 G C -0.271 174.557 174.900 -0.119 0.000 1.354 439 G CA 0.030 45.012 45.100 -0.197 0.000 0.873 439 G HN 0.937 nan 8.290 nan 0.000 0.562 440 R N 0.698 121.153 120.500 -0.076 0.000 3.268 440 R HA 0.444 4.787 4.340 0.005 0.000 0.217 440 R C 1.982 178.291 176.300 0.015 0.000 1.568 440 R CA 0.900 56.978 56.100 -0.036 0.000 1.322 440 R CB -0.578 29.704 30.300 -0.029 0.000 1.280 440 R HN 0.781 nan 8.270 nan 0.000 0.667 441 T N -1.903 112.661 114.554 0.017 0.000 3.088 441 T HA 0.038 4.391 4.350 0.005 0.000 0.259 441 T C 0.839 175.618 174.700 0.131 0.000 1.122 441 T CA 0.629 62.773 62.100 0.074 0.000 1.095 441 T CB 0.281 69.179 68.868 0.051 0.000 0.930 441 T HN 0.389 nan 8.240 nan 0.000 0.508 442 T N -0.296 114.278 114.554 0.033 0.000 2.658 442 T HA 0.439 4.792 4.350 0.005 0.000 0.306 442 T C -1.751 172.809 174.700 -0.234 0.000 1.544 442 T CA -0.594 61.403 62.100 -0.172 0.000 0.991 442 T CB 1.121 69.847 68.868 -0.237 0.000 1.774 442 T HN -0.049 nan 8.240 nan 0.000 0.479 443 V N 1.868 121.540 119.914 -0.404 0.000 2.530 443 V HA 0.714 4.837 4.120 0.005 0.000 0.282 443 V C 1.121 177.107 176.094 -0.180 0.000 1.048 443 V CA 0.965 63.119 62.300 -0.244 0.000 0.997 443 V CB 0.284 31.948 31.823 -0.265 0.000 0.987 443 V HN 1.250 nan 8.190 nan 0.000 0.477 444 G N 3.605 112.330 108.800 -0.125 0.000 2.321 444 G HA2 0.480 4.442 3.960 0.005 0.000 0.296 444 G HA3 0.480 4.442 3.960 0.005 0.000 0.296 444 G C -1.036 173.814 174.900 -0.083 0.000 1.287 444 G CA -0.438 44.596 45.100 -0.112 0.000 0.846 444 G HN 0.534 nan 8.290 nan 0.000 0.508 445 T N 1.053 115.562 114.554 -0.074 0.000 2.881 445 T HA 0.645 4.998 4.350 0.005 0.000 0.291 445 T C 0.481 175.151 174.700 -0.050 0.000 0.990 445 T CA 0.112 62.177 62.100 -0.058 0.000 0.976 445 T CB 1.280 70.121 68.868 -0.046 0.000 0.970 445 T HN 1.071 nan 8.240 nan 0.000 0.438 446 T N 0.352 114.872 114.554 -0.057 0.000 2.788 446 T HA 0.463 4.816 4.350 0.005 0.000 0.280 446 T C 1.634 176.317 174.700 -0.029 0.000 0.984 446 T CA -0.757 61.312 62.100 -0.052 0.000 0.972 446 T CB 0.406 69.220 68.868 -0.090 0.000 1.039 446 T HN 0.411 nan 8.240 nan 0.000 0.530 447 I N 0.414 120.980 120.570 -0.006 0.000 2.454 447 I HA -0.078 4.094 4.170 0.005 0.000 0.254 447 I C 2.191 178.317 176.117 0.016 0.000 1.156 447 I CA 0.778 62.094 61.300 0.027 0.000 1.433 447 I CB -0.465 37.570 38.000 0.058 0.000 1.082 447 I HN 0.495 nan 8.210 nan 0.000 0.432 448 L N 0.843 122.030 121.223 -0.059 0.000 1.988 448 L HA -0.174 4.168 4.340 0.005 0.000 0.207 448 L C 2.375 179.209 176.870 -0.060 0.000 1.071 448 L CA 1.881 56.660 54.840 -0.102 0.000 0.744 448 L CB -0.817 41.044 42.059 -0.329 0.000 0.893 448 L HN 0.201 nan 8.230 nan 0.000 0.433 449 E N -0.241 119.912 120.200 -0.077 0.000 2.070 449 E HA -0.277 4.076 4.350 0.005 0.000 0.197 449 E C 2.130 178.720 176.600 -0.017 0.000 1.004 449 E CA 1.423 57.793 56.400 -0.051 0.000 0.805 449 E CB -0.423 29.242 29.700 -0.058 0.000 0.744 449 E HN 0.640 nan 8.360 nan 0.000 0.451 450 A N 0.889 123.710 122.820 0.000 0.000 1.940 450 A HA -0.161 4.162 4.320 0.005 0.000 0.219 450 A C 2.501 180.124 177.584 0.066 0.000 1.176 450 A CA 1.274 53.330 52.037 0.031 0.000 0.631 450 A CB -0.611 18.417 19.000 0.047 0.000 0.814 450 A HN 0.133 nan 8.150 nan 0.000 0.446 451 V N -0.092 119.879 119.914 0.094 0.000 2.307 451 V HA -0.249 3.874 4.120 0.005 0.000 0.245 451 V C 2.421 178.535 176.094 0.033 0.000 1.045 451 V CA 2.366 64.756 62.300 0.150 0.000 1.024 451 V CB -0.593 31.351 31.823 0.201 0.000 0.651 451 V HN 0.567 nan 8.190 nan 0.000 0.449 452 K N 0.367 120.776 120.400 0.016 0.000 2.147 452 K HA -0.068 4.255 4.320 0.005 0.000 0.205 452 K C 2.128 178.708 176.600 -0.033 0.000 1.049 452 K CA 1.356 57.637 56.287 -0.009 0.000 0.936 452 K CB -0.349 32.146 32.500 -0.009 0.000 0.722 452 K HN 0.477 nan 8.250 nan 0.000 0.446 453 A N 0.868 123.670 122.820 -0.030 0.000 2.066 453 A HA 0.058 4.381 4.320 0.005 0.000 0.218 453 A C 2.151 179.696 177.584 -0.065 0.000 1.157 453 A CA 1.438 53.453 52.037 -0.036 0.000 0.670 453 A CB -0.272 18.715 19.000 -0.021 0.000 0.804 453 A HN 0.302 nan 8.150 nan 0.000 0.453 454 A N -0.180 122.574 122.820 -0.109 0.000 1.956 454 A HA 0.386 4.709 4.320 0.005 0.000 0.212 454 A C 1.278 178.668 177.584 -0.324 0.000 1.188 454 A CA 0.770 52.673 52.037 -0.223 0.000 0.675 454 A CB -1.021 17.779 19.000 -0.334 0.000 0.845 454 A HN 0.943 nan 8.150 nan 0.000 0.455 455 V N -0.431 119.297 119.914 -0.311 0.000 3.051 455 V HA 0.322 4.445 4.120 0.005 0.000 0.306 455 V C -0.043 175.971 176.094 -0.133 0.000 1.083 455 V CA -0.586 61.557 62.300 -0.262 0.000 1.104 455 V CB 0.390 32.111 31.823 -0.170 0.000 1.027 455 V HN 0.433 nan 8.190 nan 0.000 0.483 456 D N 3.761 124.103 120.400 -0.096 0.000 2.472 456 D HA 0.151 4.794 4.640 0.005 0.000 0.237 456 D C -1.163 175.116 176.300 -0.035 0.000 1.141 456 D CA -0.717 53.252 54.000 -0.052 0.000 0.875 456 D CB 1.132 41.916 40.800 -0.027 0.000 1.192 456 D HN 0.551 nan 8.370 nan 0.000 0.450 457 P HA -0.194 nan 4.420 nan 0.000 0.221 457 P C 0.932 178.227 177.300 -0.008 0.000 1.145 457 P CA 1.019 64.109 63.100 -0.017 0.000 0.795 457 P CB -0.039 31.653 31.700 -0.014 0.000 0.775 458 S N -1.698 113.998 115.700 -0.006 0.000 2.489 458 S HA -0.014 4.458 4.470 0.005 0.000 0.228 458 S C 1.009 175.612 174.600 0.004 0.000 0.995 458 S CA 0.299 58.499 58.200 -0.000 0.000 0.934 458 S CB -1.593 61.608 63.200 0.001 0.000 0.771 458 S HN 0.048 nan 8.310 nan 0.000 0.522 459 T N 3.870 118.426 114.554 0.003 0.000 2.750 459 T HA 0.325 4.678 4.350 0.005 0.000 0.286 459 T C -0.079 174.633 174.700 0.019 0.000 0.911 459 T CA -0.272 61.835 62.100 0.011 0.000 1.130 459 T CB 0.414 69.289 68.868 0.011 0.000 0.873 459 T HN 0.149 nan 8.240 nan 0.000 0.536 460 V N 5.012 124.943 119.914 0.028 0.000 2.585 460 V HA 0.098 4.220 4.120 0.005 0.000 0.296 460 V C 0.500 176.637 176.094 0.072 0.000 1.035 460 V CA -0.269 62.060 62.300 0.048 0.000 1.084 460 V CB 0.769 32.622 31.823 0.051 0.000 0.953 460 V HN 0.592 nan 8.190 nan 0.000 0.483 461 V N 6.160 126.123 119.914 0.082 0.000 2.357 461 V HA 0.358 4.480 4.120 0.005 0.000 0.284 461 V C -0.099 176.080 176.094 0.142 0.000 1.018 461 V CA -0.499 61.861 62.300 0.099 0.000 0.841 461 V CB 1.704 33.575 31.823 0.081 0.000 0.991 461 V HN 0.610 nan 8.190 nan 0.000 0.437 462 V N 5.907 125.919 119.914 0.164 0.000 2.398 462 V HA 0.445 4.568 4.120 0.005 0.000 0.286 462 V C -0.445 175.781 176.094 0.220 0.000 1.026 462 V CA -0.528 61.906 62.300 0.224 0.000 0.868 462 V CB 1.525 33.569 31.823 0.369 0.000 0.982 462 V HN 0.683 nan 8.190 nan 0.000 0.443 463 F N 4.523 124.521 119.950 0.080 0.000 2.421 463 F HA 0.806 5.335 4.527 0.005 0.000 0.337 463 F C 0.134 175.951 175.800 0.030 0.000 1.105 463 F CA -1.101 56.922 58.000 0.038 0.000 1.049 463 F CB 1.415 40.431 39.000 0.026 0.000 1.139 463 F HN 0.543 nan 8.300 nan 0.000 0.479 464 A N 5.469 127.759 122.820 -0.884 0.000 2.547 464 A HA 0.315 4.637 4.320 0.005 0.000 0.279 464 A C 0.538 177.542 177.584 -0.968 0.000 1.088 464 A CA -0.341 51.178 52.037 -0.864 0.000 0.796 464 A CB 0.629 19.273 19.000 -0.593 0.000 1.308 464 A HN 0.935 nan 8.150 nan 0.000 0.415 465 E N 2.227 121.797 120.200 -1.049 0.000 2.085 465 E HA -0.153 4.200 4.350 0.005 0.000 0.194 465 E C 0.247 176.706 176.600 -0.235 0.000 0.994 465 E CA 1.474 57.577 56.400 -0.495 0.000 0.801 465 E CB 0.037 29.608 29.700 -0.215 0.000 0.743 465 E HN 0.617 nan 8.360 nan 0.000 0.453 466 N N 0.768 119.313 118.700 -0.257 0.000 2.716 466 N HA 0.174 4.917 4.740 0.005 0.000 0.245 466 N C -2.746 172.646 175.510 -0.197 0.000 1.495 466 N CA -0.795 52.161 53.050 -0.157 0.000 0.759 466 N CB 1.580 40.013 38.487 -0.089 0.000 1.261 466 N HN 0.146 nan 8.380 nan 0.000 0.515 467 P HA 0.180 nan 4.420 nan 0.000 0.278 467 P C -0.557 176.712 177.300 -0.053 0.000 1.238 467 P CA -0.129 62.804 63.100 -0.278 0.000 0.794 467 P CB 1.205 32.752 31.700 -0.255 0.000 0.955 468 D N 0.525 120.924 120.400 -0.002 0.000 2.358 468 D HA 0.286 4.929 4.640 0.005 0.000 0.244 468 D C 1.368 177.754 176.300 0.143 0.000 1.163 468 D CA -0.745 53.295 54.000 0.065 0.000 0.945 468 D CB 0.361 41.197 40.800 0.061 0.000 1.152 468 D HN 0.279 nan 8.370 nan 0.000 0.451 469 A N 0.523 123.404 122.820 0.102 0.000 1.978 469 A HA -0.236 4.087 4.320 0.005 0.000 0.220 469 A C 1.888 179.543 177.584 0.118 0.000 1.170 469 A CA 1.373 53.473 52.037 0.105 0.000 0.636 469 A CB -0.792 18.248 19.000 0.066 0.000 0.810 469 A HN 0.746 nan 8.150 nan 0.000 0.448 470 E N -1.658 118.610 120.200 0.113 0.000 2.274 470 E HA -0.084 4.269 4.350 0.005 0.000 0.194 470 E C 1.591 178.262 176.600 0.119 0.000 0.996 470 E CA 0.772 57.226 56.400 0.089 0.000 0.840 470 E CB -0.184 29.556 29.700 0.067 0.000 0.772 470 E HN 0.776 nan 8.360 nan 0.000 0.491 471 F N 0.873 120.848 119.950 0.043 0.000 2.186 471 F HA -0.186 4.344 4.527 0.005 0.000 0.299 471 F C 1.865 177.741 175.800 0.127 0.000 1.090 471 F CA 0.979 59.017 58.000 0.064 0.000 1.307 471 F CB 0.054 39.093 39.000 0.065 0.000 1.019 471 F HN -0.201 nan 8.300 nan 0.000 0.489 472 V N 0.886 120.957 119.914 0.262 0.000 2.346 472 V HA -0.228 3.895 4.120 0.005 0.000 0.244 472 V C 2.273 178.425 176.094 0.096 0.000 1.037 472 V CA 1.962 64.429 62.300 0.279 0.000 1.029 472 V CB -0.801 31.200 31.823 0.298 0.000 0.663 472 V HN 0.223 nan 8.190 nan 0.000 0.454 473 K N 1.138 121.568 120.400 0.049 0.000 2.147 473 K HA -0.112 4.211 4.320 0.005 0.000 0.205 473 K C 2.021 178.566 176.600 -0.092 0.000 1.049 473 K CA 1.798 58.083 56.287 -0.004 0.000 0.936 473 K CB -0.279 32.228 32.500 0.010 0.000 0.722 473 K HN 0.564 nan 8.250 nan 0.000 0.446 474 S N 0.006 115.615 115.700 -0.151 0.000 2.575 474 S HA 0.054 4.527 4.470 0.005 0.000 0.215 474 S C 1.695 176.063 174.600 -0.388 0.000 0.966 474 S CA 0.204 58.275 58.200 -0.215 0.000 0.911 474 S CB 0.680 63.781 63.200 -0.165 0.000 0.780 474 S HN 0.407 nan 8.310 nan 0.000 0.514 475 G N 1.479 109.915 108.800 -0.605 0.000 2.848 475 G HA2 0.367 4.330 3.960 0.005 0.000 0.208 475 G HA3 0.367 4.330 3.960 0.005 0.000 0.208 475 G C 1.033 175.251 174.900 -1.137 0.000 1.152 475 G CA -0.068 44.343 45.100 -1.148 0.000 0.789 475 G HN 0.829 nan 8.290 nan 0.000 0.531 476 G N -0.153 108.281 108.800 -0.611 0.000 2.395 476 G HA2 -0.292 3.671 3.960 0.005 0.000 0.300 476 G HA3 -0.292 3.671 3.960 0.005 0.000 0.300 476 G C 0.061 174.735 174.900 -0.376 0.000 0.998 476 G CA -0.022 44.845 45.100 -0.388 0.000 1.046 476 G HN 0.395 nan 8.290 nan 0.000 0.513 477 F N -0.442 119.446 119.950 -0.104 0.000 2.377 477 F HA 0.470 5.000 4.527 0.005 0.000 0.328 477 F C 1.663 177.392 175.800 -0.118 0.000 1.094 477 F CA -0.362 57.566 58.000 -0.120 0.000 1.093 477 F CB 1.682 40.622 39.000 -0.100 0.000 1.214 477 F HN 0.052 nan 8.300 nan 0.000 0.518 478 S N 0.409 116.116 115.700 0.013 0.000 2.458 478 S HA 0.045 4.518 4.470 0.005 0.000 0.223 478 S C -0.999 173.635 174.600 0.056 0.000 1.019 478 S CA 0.430 58.610 58.200 -0.033 0.000 0.937 478 S CB -0.095 63.031 63.200 -0.123 0.000 0.788 478 S HN 0.607 nan 8.310 nan 0.000 0.511 479 Y N -1.884 118.492 120.300 0.128 0.000 2.765 479 Y HA 0.715 5.268 4.550 0.005 0.000 0.350 479 Y C -1.217 174.700 175.900 0.028 0.000 1.196 479 Y CA -2.106 56.037 58.100 0.071 0.000 1.119 479 Y CB 0.264 38.755 38.460 0.052 0.000 1.368 479 Y HN -0.049 nan 8.280 nan 0.000 0.463 480 A N 1.460 124.449 122.820 0.282 0.000 2.423 480 A HA 0.903 5.226 4.320 0.005 0.000 0.304 480 A C -1.663 176.022 177.584 0.169 0.000 1.104 480 A CA -0.989 51.130 52.037 0.136 0.000 0.757 480 A CB 1.398 20.392 19.000 -0.009 0.000 1.313 480 A HN 0.744 nan 8.150 nan 0.000 0.423 481 I N 1.287 121.929 120.570 0.120 0.000 2.418 481 I HA 0.433 4.605 4.170 0.005 0.000 0.287 481 I C -1.051 175.107 176.117 0.068 0.000 1.008 481 I CA -0.717 60.629 61.300 0.077 0.000 1.104 481 I CB 2.069 40.121 38.000 0.086 0.000 1.264 481 I HN 0.329 nan 8.210 nan 0.000 0.438 482 V N 5.049 124.989 119.914 0.043 0.000 2.448 482 V HA 0.726 4.849 4.120 0.005 0.000 0.295 482 V C 0.131 176.253 176.094 0.047 0.000 1.025 482 V CA -0.687 61.643 62.300 0.049 0.000 0.859 482 V CB 1.509 33.347 31.823 0.025 0.000 0.988 482 V HN 0.774 nan 8.190 nan 0.000 0.431 483 A N 5.052 127.925 122.820 0.089 0.000 2.273 483 A HA 0.904 5.227 4.320 0.005 0.000 0.315 483 A C -0.355 177.272 177.584 0.071 0.000 1.256 483 A CA -0.459 51.633 52.037 0.093 0.000 0.851 483 A CB 1.194 20.291 19.000 0.161 0.000 1.172 483 A HN 1.543 nan 8.150 nan 0.000 0.508 484 V N 0.056 119.918 119.914 -0.087 0.000 3.160 484 V HA 1.079 5.202 4.120 0.005 0.000 0.310 484 V C 0.109 175.827 176.094 -0.627 0.000 1.181 484 V CA 0.025 62.150 62.300 -0.291 0.000 1.047 484 V CB 1.352 33.104 31.823 -0.119 0.000 1.068 484 V HN 2.166 nan 8.190 nan 0.000 0.441 485 G N 0.542 108.827 108.800 -0.858 0.000 2.344 485 G HA2 0.346 4.308 3.960 0.005 0.000 0.282 485 G HA3 0.346 4.308 3.960 0.005 0.000 0.282 485 G C -1.310 173.445 174.900 -0.242 0.000 1.281 485 G CA -0.516 44.263 45.100 -0.535 0.000 0.877 485 G HN 0.944 nan 8.290 nan 0.000 0.494 486 E N -0.252 119.935 120.200 -0.023 0.000 2.371 486 E HA 0.378 4.731 4.350 0.005 0.000 0.257 486 E C -0.305 176.365 176.600 0.116 0.000 1.134 486 E CA -0.237 56.184 56.400 0.036 0.000 0.919 486 E CB 0.698 30.498 29.700 0.168 0.000 1.025 486 E HN 0.490 nan 8.360 nan 0.000 0.438 487 H N 0.266 119.280 119.070 -0.094 0.000 2.508 487 H HA 0.238 4.796 4.556 0.005 0.000 0.344 487 H C -2.047 173.197 175.328 -0.140 0.000 1.192 487 H CA -2.443 53.416 56.048 -0.315 0.000 1.290 487 H CB 0.957 30.592 29.762 -0.212 0.000 1.571 487 H HN 0.241 nan 8.280 nan 0.000 0.555 488 P HA -0.007 nan 4.420 nan 0.000 0.268 488 P C -1.410 175.828 177.300 -0.104 0.000 1.205 488 P CA 0.408 63.418 63.100 -0.151 0.000 0.771 488 P CB 0.278 31.939 31.700 -0.065 0.000 0.858 489 Y N -1.533 118.663 120.300 -0.173 0.000 2.581 489 Y HA 0.792 5.345 4.550 0.005 0.000 0.337 489 Y C -1.125 174.614 175.900 -0.267 0.000 1.108 489 Y CA -1.067 56.904 58.100 -0.216 0.000 1.033 489 Y CB 0.678 39.051 38.460 -0.145 0.000 1.318 489 Y HN 0.174 nan 8.280 nan 0.000 0.459 490 T N 2.084 116.480 114.554 -0.263 0.000 2.912 490 T HA 0.468 4.821 4.350 0.005 0.000 0.299 490 T C -0.832 173.604 174.700 -0.439 0.000 1.052 490 T CA -0.526 61.278 62.100 -0.493 0.000 0.996 490 T CB 2.193 70.315 68.868 -1.243 0.000 1.070 490 T HN 0.930 nan 8.240 nan 0.000 0.465 491 E N 0.476 120.527 120.200 -0.249 0.000 3.431 491 E HA -0.275 4.078 4.350 0.005 0.000 0.294 491 E C 1.040 177.564 176.600 -0.126 0.000 1.487 491 E CA 1.226 57.546 56.400 -0.133 0.000 2.027 491 E CB -1.241 28.497 29.700 0.063 0.000 1.966 491 E HN 0.715 nan 8.360 nan 0.000 0.482 492 T N 0.893 115.421 114.554 -0.043 0.000 2.822 492 T HA -0.194 4.159 4.350 0.005 0.000 0.270 492 T C 1.444 176.083 174.700 -0.101 0.000 1.064 492 T CA 1.553 63.629 62.100 -0.039 0.000 1.131 492 T CB -0.129 68.741 68.868 0.003 0.000 0.858 492 T HN 0.188 nan 8.240 nan 0.000 0.483 493 K N 0.511 120.815 120.400 -0.160 0.000 2.280 493 K HA -0.026 4.297 4.320 0.005 0.000 0.202 493 K C 2.400 178.881 176.600 -0.198 0.000 1.047 493 K CA 1.080 57.266 56.287 -0.168 0.000 0.942 493 K CB -0.399 31.963 32.500 -0.230 0.000 0.739 493 K HN 0.480 nan 8.250 nan 0.000 0.457 494 G N 0.665 109.320 108.800 -0.241 0.000 2.662 494 G HA2 -0.084 3.879 3.960 0.005 0.000 0.212 494 G HA3 -0.084 3.879 3.960 0.005 0.000 0.212 494 G C 0.106 174.733 174.900 -0.456 0.000 1.141 494 G CA -0.236 44.515 45.100 -0.582 0.000 0.797 494 G HN 0.174 nan 8.290 nan 0.000 0.531 495 D N 1.282 121.554 120.400 -0.213 0.000 2.581 495 D HA 0.060 4.703 4.640 0.005 0.000 0.238 495 D C -0.211 176.003 176.300 -0.143 0.000 1.145 495 D CA 0.738 54.677 54.000 -0.102 0.000 0.866 495 D CB 0.556 41.349 40.800 -0.012 0.000 1.151 495 D HN 0.154 nan 8.370 nan 0.000 0.500 496 N N 2.943 121.567 118.700 -0.126 0.000 2.397 496 N HA 0.147 4.890 4.740 0.005 0.000 0.291 496 N C 0.185 175.649 175.510 -0.076 0.000 1.065 496 N CA -0.486 52.490 53.050 -0.123 0.000 0.884 496 N CB 1.334 39.713 38.487 -0.180 0.000 1.551 496 N HN 0.170 nan 8.380 nan 0.000 0.487 497 L N 2.447 123.631 121.223 -0.064 0.000 2.354 497 L HA 0.071 4.414 4.340 0.005 0.000 0.212 497 L C 1.587 178.418 176.870 -0.065 0.000 1.091 497 L CA 0.653 55.456 54.840 -0.061 0.000 0.828 497 L CB -0.064 41.965 42.059 -0.050 0.000 0.973 497 L HN 0.585 nan 8.230 nan 0.000 0.461 498 N N 0.151 118.822 118.700 -0.049 0.000 2.405 498 N HA -0.056 4.687 4.740 0.005 0.000 0.175 498 N C 0.925 176.437 175.510 0.003 0.000 1.051 498 N CA -0.055 52.979 53.050 -0.028 0.000 0.899 498 N CB -0.225 38.250 38.487 -0.020 0.000 1.000 498 N HN 0.086 nan 8.380 nan 0.000 0.451 499 L N 1.067 122.293 121.223 0.005 0.000 3.833 499 L HA -0.216 4.127 4.340 0.005 0.000 0.447 499 L C -0.661 176.280 176.870 0.118 0.000 1.213 499 L CA 0.833 55.718 54.840 0.074 0.000 0.801 499 L CB -2.687 39.468 42.059 0.160 0.000 1.676 499 L HN 0.627 nan 8.230 nan 0.000 0.883 500 T N -2.130 112.458 114.554 0.057 0.000 2.885 500 T HA 0.733 5.086 4.350 0.005 0.000 0.285 500 T C 0.215 174.921 174.700 0.010 0.000 1.019 500 T CA -0.950 61.184 62.100 0.056 0.000 1.010 500 T CB 2.681 71.573 68.868 0.040 0.000 1.022 500 T HN 0.323 nan 8.240 nan 0.000 0.466 501 I N 0.662 121.233 120.570 0.002 0.000 2.638 501 I HA 0.515 4.687 4.170 0.005 0.000 0.286 501 I C -2.151 173.917 176.117 -0.081 0.000 1.088 501 I CA -2.228 59.040 61.300 -0.053 0.000 1.397 501 I CB 0.486 38.449 38.000 -0.061 0.000 1.414 501 I HN 0.438 nan 8.210 nan 0.000 0.566 502 P HA 0.170 nan 4.420 nan 0.000 0.272 502 P C -0.823 176.437 177.300 -0.067 0.000 1.223 502 P CA -0.060 62.953 63.100 -0.146 0.000 0.784 502 P CB 0.798 32.299 31.700 -0.331 0.000 0.923 503 E N 1.676 121.863 120.200 -0.021 0.000 2.283 503 E HA 0.348 4.700 4.350 0.005 0.000 0.267 503 E C -1.711 174.922 176.600 0.054 0.000 1.045 503 E CA -1.558 54.851 56.400 0.014 0.000 0.884 503 E CB 0.038 29.745 29.700 0.012 0.000 1.106 503 E HN 0.475 nan 8.360 nan 0.000 0.408 504 P HA 0.314 nan 4.420 nan 0.000 0.280 504 P C -0.104 177.221 177.300 0.042 0.000 1.244 504 P CA -0.250 62.874 63.100 0.041 0.000 0.784 504 P CB 1.454 33.176 31.700 0.038 0.000 0.913 505 G N 1.345 110.155 108.800 0.016 0.000 3.198 505 G HA2 -0.067 3.896 3.960 0.005 0.000 0.212 505 G HA3 -0.067 3.896 3.960 0.005 0.000 0.212 505 G C 0.681 175.576 174.900 -0.007 0.000 1.467 505 G CA 0.117 45.217 45.100 -0.001 0.000 0.740 505 G HN 0.477 nan 8.290 nan 0.000 0.930 506 L N 2.446 123.665 121.223 -0.006 0.000 2.095 506 L HA 0.157 4.500 4.340 0.005 0.000 0.204 506 L C 2.870 179.741 176.870 0.001 0.000 1.080 506 L CA 2.940 57.777 54.840 -0.004 0.000 0.759 506 L CB -0.530 41.528 42.059 -0.001 0.000 0.914 506 L HN 0.325 nan 8.230 nan 0.000 0.439 507 S N -2.253 113.451 115.700 0.005 0.000 2.399 507 S HA -0.164 4.309 4.470 0.005 0.000 0.231 507 S C 1.768 176.374 174.600 0.010 0.000 1.022 507 S CA 1.493 59.699 58.200 0.009 0.000 0.983 507 S CB -1.217 61.989 63.200 0.010 0.000 0.803 507 S HN 0.539 nan 8.310 nan 0.000 0.480 508 T N 1.914 116.474 114.554 0.009 0.000 2.857 508 T HA 0.078 4.430 4.350 0.005 0.000 0.266 508 T C 1.904 176.611 174.700 0.012 0.000 1.048 508 T CA 1.063 63.168 62.100 0.008 0.000 1.139 508 T CB -0.499 68.374 68.868 0.008 0.000 0.874 508 T HN 0.255 nan 8.240 nan 0.000 0.455 509 V N 1.619 121.536 119.914 0.007 0.000 2.261 509 V HA -0.212 3.911 4.120 0.005 0.000 0.246 509 V C 2.661 178.760 176.094 0.009 0.000 1.047 509 V CA 1.743 64.045 62.300 0.003 0.000 1.015 509 V CB -0.626 31.191 31.823 -0.010 0.000 0.642 509 V HN 0.478 nan 8.190 nan 0.000 0.446 510 Q N -0.478 119.326 119.800 0.008 0.000 2.135 510 Q HA -0.203 4.140 4.340 0.005 0.000 0.204 510 Q C 2.335 178.349 176.000 0.023 0.000 0.981 510 Q CA 1.833 57.643 55.803 0.012 0.000 0.856 510 Q CB -0.414 28.329 28.738 0.009 0.000 0.902 510 Q HN 0.704 nan 8.270 nan 0.000 0.425 511 A N 0.079 122.915 122.820 0.027 0.000 1.858 511 A HA -0.147 4.176 4.320 0.005 0.000 0.216 511 A C 2.306 179.927 177.584 0.062 0.000 1.190 511 A CA 1.466 53.529 52.037 0.043 0.000 0.617 511 A CB -0.740 18.284 19.000 0.040 0.000 0.827 511 A HN 0.220 nan 8.150 nan 0.000 0.443 512 V N -0.872 119.076 119.914 0.056 0.000 2.358 512 V HA -0.283 3.839 4.120 0.005 0.000 0.246 512 V C 2.626 178.758 176.094 0.062 0.000 1.047 512 V CA 2.030 64.371 62.300 0.068 0.000 1.035 512 V CB -0.934 30.914 31.823 0.042 0.000 0.658 512 V HN 0.710 nan 8.190 nan 0.000 0.452 513 c N 0.683 119.308 118.600 0.042 0.000 2.450 513 c HA 0.041 4.613 4.570 0.005 0.000 0.279 513 c C 2.882 176.994 174.090 0.038 0.000 1.335 513 c CA 0.457 56.807 56.329 0.035 0.000 1.749 513 c CB -1.603 40.917 42.510 0.016 0.000 1.963 513 c HN 0.677 nan 8.230 nan 0.000 0.501 514 G N 0.587 109.410 108.800 0.038 0.000 2.422 514 G HA2 0.013 3.976 3.960 0.005 0.000 0.218 514 G HA3 0.013 3.976 3.960 0.005 0.000 0.218 514 G C 1.731 176.659 174.900 0.046 0.000 1.146 514 G CA 1.215 46.337 45.100 0.036 0.000 0.769 514 G HN 0.572 nan 8.290 nan 0.000 0.547 515 G N -1.285 107.554 108.800 0.064 0.000 2.492 515 G HA2 0.335 4.298 3.960 0.005 0.000 0.214 515 G HA3 0.335 4.298 3.960 0.005 0.000 0.214 515 G C 0.097 175.048 174.900 0.085 0.000 1.147 515 G CA 0.921 46.065 45.100 0.075 0.000 0.809 515 G HN 0.477 nan 8.290 nan 0.000 0.533 516 V N 0.466 120.438 119.914 0.096 0.000 3.049 516 V HA 0.515 4.638 4.120 0.005 0.000 0.309 516 V C -0.813 175.336 176.094 0.091 0.000 1.148 516 V CA -1.470 60.894 62.300 0.107 0.000 0.990 516 V CB 2.151 34.069 31.823 0.158 0.000 1.039 516 V HN 0.533 nan 8.190 nan 0.000 0.430 517 R N 3.590 124.148 120.500 0.097 0.000 2.570 517 R HA 0.490 4.833 4.340 0.005 0.000 0.277 517 R C -0.288 176.070 176.300 0.098 0.000 1.039 517 R CA -0.059 56.090 56.100 0.081 0.000 1.065 517 R CB -0.314 30.036 30.300 0.082 0.000 0.964 517 R HN 0.795 nan 8.270 nan 0.000 0.428 518 c N -0.673 117.957 118.600 0.051 0.000 2.898 518 c HA 0.898 5.471 4.570 0.005 0.000 0.304 518 c C -0.237 173.844 174.090 -0.015 0.000 1.237 518 c CA -1.143 55.210 56.329 0.039 0.000 1.529 518 c CB 1.426 43.952 42.510 0.028 0.000 2.021 518 c HN 0.973 nan 8.230 nan 0.000 0.474 519 A N 1.913 124.715 122.820 -0.031 0.000 2.273 519 A HA 0.719 5.042 4.320 0.005 0.000 0.315 519 A C 0.035 177.584 177.584 -0.057 0.000 1.256 519 A CA -0.006 51.984 52.037 -0.079 0.000 0.851 519 A CB 0.307 19.230 19.000 -0.129 0.000 1.172 519 A HN 0.951 nan 8.150 nan 0.000 0.508 520 T N 2.207 116.718 114.554 -0.072 0.000 2.771 520 T HA 0.436 4.789 4.350 0.005 0.000 0.291 520 T C -0.131 174.523 174.700 -0.077 0.000 0.954 520 T CA -0.071 61.991 62.100 -0.063 0.000 1.045 520 T CB 0.903 69.728 68.868 -0.071 0.000 0.917 520 T HN 0.379 nan 8.240 nan 0.000 0.484 521 V N 5.255 125.140 119.914 -0.049 0.000 2.328 521 V HA 0.322 4.445 4.120 0.005 0.000 0.278 521 V C -0.230 175.829 176.094 -0.058 0.000 1.021 521 V CA -0.837 61.436 62.300 -0.045 0.000 0.838 521 V CB 1.104 32.927 31.823 0.000 0.000 0.999 521 V HN 0.622 nan 8.190 nan 0.000 0.447 522 L N 7.128 128.293 121.223 -0.097 0.000 2.261 522 L HA 0.488 4.831 4.340 0.005 0.000 0.289 522 L C -0.282 176.541 176.870 -0.077 0.000 1.059 522 L CA 0.240 55.021 54.840 -0.098 0.000 0.816 522 L CB 0.606 42.607 42.059 -0.096 0.000 1.191 522 L HN 0.380 nan 8.230 nan 0.000 0.431 523 I N 5.013 125.555 120.570 -0.047 0.000 2.304 523 I HA 0.421 4.594 4.170 0.005 0.000 0.291 523 I C 0.214 176.360 176.117 0.048 0.000 1.018 523 I CA 0.050 61.383 61.300 0.054 0.000 1.260 523 I CB 0.597 38.742 38.000 0.241 0.000 1.390 523 I HN 0.784 nan 8.210 nan 0.000 0.475 524 S N 3.225 118.978 115.700 0.088 0.000 2.596 524 S HA 0.663 5.136 4.470 0.005 0.000 0.270 524 S C 0.337 175.071 174.600 0.223 0.000 1.155 524 S CA -0.287 57.992 58.200 0.132 0.000 0.827 524 S CB 1.665 64.940 63.200 0.125 0.000 1.130 524 S HN 0.625 nan 8.310 nan 0.000 0.467 525 G N 0.250 109.173 108.800 0.206 0.000 2.986 525 G HA2 0.409 4.372 3.960 0.005 0.000 0.213 525 G HA3 0.409 4.372 3.960 0.005 0.000 0.213 525 G C 0.390 175.484 174.900 0.322 0.000 1.156 525 G CA -0.275 44.954 45.100 0.215 0.000 0.763 525 G HN 0.987 nan 8.290 nan 0.000 0.547 526 R N -1.599 119.090 120.500 0.313 0.000 2.747 526 R HA 0.434 4.777 4.340 0.005 0.000 0.272 526 R C -3.452 172.861 176.300 0.020 0.000 1.032 526 R CA -1.972 54.255 56.100 0.210 0.000 0.896 526 R CB -0.029 30.369 30.300 0.164 0.000 1.253 526 R HN -0.262 nan 8.270 nan 0.000 0.461 527 P HA -0.043 nan 4.420 nan 0.000 0.261 527 P C -0.597 176.423 177.300 -0.467 0.000 1.173 527 P CA 0.014 62.426 63.100 -1.148 0.000 0.760 527 P CB 0.585 31.586 31.700 -1.164 0.000 0.783 528 V N 0.961 120.656 119.914 -0.364 0.000 3.130 528 V HA 0.437 4.560 4.120 0.005 0.000 0.310 528 V C -0.208 176.025 176.094 0.232 0.000 1.158 528 V CA -1.231 61.138 62.300 0.116 0.000 1.029 528 V CB 1.833 33.741 31.823 0.142 0.000 1.057 528 V HN 0.104 nan 8.190 nan 0.000 0.436 529 V N 2.096 122.198 119.914 0.312 0.000 2.486 529 V HA 0.042 4.165 4.120 0.005 0.000 0.290 529 V C 1.090 177.316 176.094 0.220 0.000 0.991 529 V CA 1.267 63.744 62.300 0.295 0.000 1.142 529 V CB 0.667 32.627 31.823 0.228 0.000 0.926 529 V HN 0.908 nan 8.190 nan 0.000 0.472 530 V N 4.220 124.261 119.914 0.212 0.000 3.502 530 V HA 0.055 4.178 4.120 0.005 0.000 0.288 530 V C 1.739 177.819 176.094 -0.024 0.000 1.461 530 V CA 0.618 62.961 62.300 0.072 0.000 1.029 530 V CB 0.969 32.766 31.823 -0.043 0.000 0.843 530 V HN 0.929 nan 8.190 nan 0.000 0.438 531 Q N 1.142 120.939 119.800 -0.006 0.000 2.096 531 Q HA -0.121 4.222 4.340 0.005 0.000 0.204 531 Q C -0.365 175.617 176.000 -0.029 0.000 0.982 531 Q CA 2.635 58.416 55.803 -0.036 0.000 0.850 531 Q CB -1.453 27.268 28.738 -0.029 0.000 0.901 531 Q HN 0.528 nan 8.270 nan 0.000 0.422 532 P HA -0.197 nan 4.420 nan 0.000 0.214 532 P C 0.963 178.249 177.300 -0.022 0.000 1.163 532 P CA 1.157 64.251 63.100 -0.010 0.000 0.889 532 P CB -0.031 31.671 31.700 0.004 0.000 0.790 533 L N -1.871 119.336 121.223 -0.027 0.000 2.083 533 L HA -0.182 4.160 4.340 0.005 0.000 0.209 533 L C 2.320 179.151 176.870 -0.064 0.000 1.083 533 L CA 1.007 55.820 54.840 -0.044 0.000 0.752 533 L CB -0.840 41.188 42.059 -0.052 0.000 0.899 533 L HN 0.005 nan 8.230 nan 0.000 0.433 534 L N -0.274 120.903 121.223 -0.077 0.000 2.056 534 L HA -0.111 4.232 4.340 0.005 0.000 0.207 534 L C 2.736 179.571 176.870 -0.058 0.000 1.078 534 L CA 1.947 56.736 54.840 -0.085 0.000 0.749 534 L CB -1.200 40.806 42.059 -0.089 0.000 0.901 534 L HN 0.160 nan 8.230 nan 0.000 0.433 535 A N -0.744 122.049 122.820 -0.046 0.000 1.883 535 A HA -0.194 4.128 4.320 0.005 0.000 0.217 535 A C 2.397 179.964 177.584 -0.028 0.000 1.186 535 A CA 2.047 54.063 52.037 -0.034 0.000 0.624 535 A CB -0.900 18.085 19.000 -0.026 0.000 0.822 535 A HN 0.426 nan 8.150 nan 0.000 0.444 536 A N -0.761 122.043 122.820 -0.026 0.000 2.016 536 A HA 0.271 4.594 4.320 0.005 0.000 0.217 536 A C 1.405 178.976 177.584 -0.022 0.000 1.162 536 A CA 0.915 52.941 52.037 -0.018 0.000 0.662 536 A CB -0.359 18.634 19.000 -0.012 0.000 0.812 536 A HN 0.410 nan 8.150 nan 0.000 0.450 537 S N 0.508 116.186 115.700 -0.037 0.000 2.610 537 S HA 0.240 4.713 4.470 0.005 0.000 0.273 537 S C 0.125 174.697 174.600 -0.047 0.000 1.274 537 S CA -0.526 57.648 58.200 -0.044 0.000 1.023 537 S CB 1.173 64.333 63.200 -0.066 0.000 0.962 537 S HN 0.428 nan 8.310 nan 0.000 0.523 538 D N 0.954 121.328 120.400 -0.044 0.000 2.149 538 D HA 0.145 4.788 4.640 0.005 0.000 0.206 538 D C 0.591 176.844 176.300 -0.079 0.000 0.967 538 D CA 0.794 54.765 54.000 -0.047 0.000 0.848 538 D CB 0.203 40.984 40.800 -0.032 0.000 0.998 538 D HN 0.563 nan 8.370 nan 0.000 0.474 539 A N 0.402 123.163 122.820 -0.100 0.000 2.413 539 A HA 0.682 5.005 4.320 0.005 0.000 0.307 539 A C -1.306 176.184 177.584 -0.156 0.000 1.087 539 A CA -0.505 51.444 52.037 -0.147 0.000 0.750 539 A CB 1.954 20.847 19.000 -0.178 0.000 1.296 539 A HN 0.177 nan 8.150 nan 0.000 0.423 540 L N 1.865 122.967 121.223 -0.202 0.000 2.464 540 L HA 0.740 5.083 4.340 0.005 0.000 0.266 540 L C -1.673 175.038 176.870 -0.265 0.000 0.965 540 L CA -0.572 54.143 54.840 -0.208 0.000 0.833 540 L CB 2.170 44.099 42.059 -0.217 0.000 1.296 540 L HN 0.505 nan 8.230 nan 0.000 0.405 541 V N 3.610 123.391 119.914 -0.221 0.000 2.540 541 V HA 0.675 4.798 4.120 0.005 0.000 0.302 541 V C 0.154 176.110 176.094 -0.229 0.000 1.035 541 V CA -0.568 61.606 62.300 -0.210 0.000 0.873 541 V CB 1.717 33.506 31.823 -0.056 0.000 0.992 541 V HN 0.841 nan 8.190 nan 0.000 0.428 542 A N 3.229 125.855 122.820 -0.323 0.000 2.415 542 A HA 0.683 5.006 4.320 0.005 0.000 0.309 542 A C 1.033 178.256 177.584 -0.601 0.000 1.356 542 A CA 0.268 51.988 52.037 -0.527 0.000 0.998 542 A CB 0.541 19.107 19.000 -0.723 0.000 1.145 542 A HN 1.308 nan 8.150 nan 0.000 0.545 543 A N 2.603 125.203 122.820 -0.367 0.000 2.238 543 A HA 0.433 4.756 4.320 0.005 0.000 0.210 543 A C 0.674 178.246 177.584 -0.020 0.000 1.179 543 A CA 0.317 52.263 52.037 -0.151 0.000 0.827 543 A CB -0.799 18.195 19.000 -0.012 0.000 0.856 543 A HN 1.152 nan 8.150 nan 0.000 0.488 544 W N -2.068 119.296 121.300 0.106 0.000 1.974 544 W HA -0.286 4.376 4.660 0.005 0.000 0.229 544 W C 0.095 176.652 176.519 0.064 0.000 0.863 544 W CA 0.237 57.635 57.345 0.088 0.000 0.924 544 W CB -1.259 28.259 29.460 0.098 0.000 0.948 544 W HN 0.065 nan 8.180 nan 0.000 0.511 545 L N 3.102 124.526 121.223 0.336 0.000 2.494 545 L HA 0.206 4.549 4.340 0.005 0.000 0.251 545 L C -1.227 175.752 176.870 0.180 0.000 1.119 545 L CA -1.553 53.394 54.840 0.179 0.000 1.026 545 L CB 0.433 42.538 42.059 0.076 0.000 1.370 545 L HN 0.043 nan 8.230 nan 0.000 0.426 546 P HA -0.034 nan 4.420 nan 0.000 0.222 546 P C 0.797 178.148 177.300 0.086 0.000 1.147 546 P CA 1.029 64.211 63.100 0.137 0.000 0.790 546 P CB 0.613 32.376 31.700 0.105 0.000 0.780 547 G N -0.141 108.698 108.800 0.066 0.000 2.466 547 G HA2 -0.157 3.805 3.960 0.005 0.000 0.316 547 G HA3 -0.157 3.805 3.960 0.005 0.000 0.316 547 G C 0.821 175.689 174.900 -0.053 0.000 1.270 547 G CA 0.153 45.254 45.100 0.002 0.000 0.982 547 G HN 0.167 nan 8.290 nan 0.000 0.506 548 S N -0.792 114.830 115.700 -0.130 0.000 2.428 548 S HA 0.075 4.548 4.470 0.005 0.000 0.230 548 S C 0.735 175.265 174.600 -0.116 0.000 1.014 548 S CA 1.772 59.891 58.200 -0.135 0.000 0.957 548 S CB 0.067 63.152 63.200 -0.192 0.000 0.784 548 S HN 0.623 nan 8.310 nan 0.000 0.499 549 E N 2.115 122.240 120.200 -0.125 0.000 1.932 549 E HA 0.318 4.671 4.350 0.005 0.000 0.259 549 E C 1.095 177.664 176.600 -0.053 0.000 1.099 549 E CA -0.023 56.319 56.400 -0.096 0.000 0.970 549 E CB 0.137 29.766 29.700 -0.118 0.000 1.143 549 E HN 0.510 nan 8.360 nan 0.000 0.441 550 G N 2.098 110.877 108.800 -0.035 0.000 2.501 550 G HA2 -0.306 3.657 3.960 0.005 0.000 0.220 550 G HA3 -0.306 3.657 3.960 0.005 0.000 0.220 550 G C 1.251 176.156 174.900 0.009 0.000 1.114 550 G CA 0.316 45.412 45.100 -0.006 0.000 0.757 550 G HN 0.391 nan 8.290 nan 0.000 0.559 551 Q N 0.016 119.818 119.800 0.003 0.000 2.291 551 Q HA -0.036 4.306 4.340 0.005 0.000 0.206 551 Q C 2.753 178.765 176.000 0.020 0.000 0.976 551 Q CA 0.752 56.571 55.803 0.026 0.000 0.875 551 Q CB -0.259 28.489 28.738 0.017 0.000 0.927 551 Q HN 0.472 nan 8.270 nan 0.000 0.450 552 G N 0.363 109.154 108.800 -0.014 0.000 2.422 552 G HA2 -0.217 3.746 3.960 0.005 0.000 0.218 552 G HA3 -0.217 3.746 3.960 0.005 0.000 0.218 552 G C 1.477 176.353 174.900 -0.040 0.000 1.146 552 G CA 0.808 45.880 45.100 -0.046 0.000 0.769 552 G HN 0.212 nan 8.290 nan 0.000 0.547 553 V N 1.655 121.566 119.914 -0.006 0.000 2.270 553 V HA -0.161 3.961 4.120 0.005 0.000 0.245 553 V C 3.199 179.294 176.094 0.001 0.000 1.043 553 V CA 2.351 64.650 62.300 -0.002 0.000 1.014 553 V CB -1.106 30.734 31.823 0.029 0.000 0.645 553 V HN 0.590 nan 8.190 nan 0.000 0.447 554 T N -2.777 111.819 114.554 0.070 0.000 3.113 554 T HA -0.112 4.241 4.350 0.005 0.000 0.263 554 T C 1.326 176.152 174.700 0.211 0.000 1.143 554 T CA 0.935 63.138 62.100 0.172 0.000 1.090 554 T CB -0.350 68.726 68.868 0.348 0.000 0.922 554 T HN 0.354 nan 8.240 nan 0.000 0.521 555 D N 1.453 121.922 120.400 0.116 0.000 2.269 555 D HA 0.153 4.796 4.640 0.005 0.000 0.208 555 D C 2.063 178.436 176.300 0.120 0.000 0.963 555 D CA 0.988 55.095 54.000 0.179 0.000 0.864 555 D CB -0.029 40.859 40.800 0.147 0.000 0.936 555 D HN 0.607 nan 8.370 nan 0.000 0.505 556 A N -0.178 122.583 122.820 -0.098 0.000 1.963 556 A HA 0.128 4.451 4.320 0.005 0.000 0.207 556 A C 2.216 179.662 177.584 -0.230 0.000 1.243 556 A CA -0.087 51.712 52.037 -0.397 0.000 0.728 556 A CB -0.413 17.957 19.000 -1.050 0.000 0.895 556 A HN 0.100 nan 8.150 nan 0.000 0.467 557 L N -1.311 119.826 121.223 -0.142 0.000 2.043 557 L HA -0.174 4.169 4.340 0.005 0.000 0.212 557 L C 1.870 178.524 176.870 -0.360 0.000 1.075 557 L CA 1.416 56.129 54.840 -0.211 0.000 0.752 557 L CB -0.581 41.206 42.059 -0.454 0.000 0.891 557 L HN 0.409 nan 8.230 nan 0.000 0.432 558 F N -0.442 119.515 119.950 0.012 0.000 2.773 558 F HA 0.196 4.726 4.527 0.005 0.000 0.304 558 F C 1.754 177.552 175.800 -0.003 0.000 1.129 558 F CA 0.481 58.481 58.000 0.001 0.000 1.378 558 F CB 0.049 39.056 39.000 0.012 0.000 1.095 558 F HN 0.196 nan 8.300 nan 0.000 0.565 559 G N 0.144 109.004 108.800 0.101 0.000 2.184 559 G HA2 -0.359 3.603 3.960 0.005 0.000 0.264 559 G HA3 -0.359 3.603 3.960 0.005 0.000 0.264 559 G C 0.911 175.810 174.900 -0.002 0.000 0.975 559 G CA 0.614 45.749 45.100 0.058 0.000 0.642 559 G HN 0.321 nan 8.290 nan 0.000 0.536 560 D N -0.571 119.835 120.400 0.011 0.000 2.265 560 D HA 0.150 4.792 4.640 0.005 0.000 0.208 560 D C 0.751 176.726 176.300 -0.541 0.000 0.977 560 D CA 1.178 55.064 54.000 -0.190 0.000 0.871 560 D CB -0.031 40.752 40.800 -0.028 0.000 0.925 560 D HN 0.491 nan 8.370 nan 0.000 0.485 561 F N -1.793 118.128 119.950 -0.048 0.000 2.662 561 F HA 0.527 5.057 4.527 0.005 0.000 0.312 561 F C 0.768 176.507 175.800 -0.101 0.000 1.113 561 F CA -1.271 56.690 58.000 -0.065 0.000 0.951 561 F CB 1.467 40.416 39.000 -0.086 0.000 1.344 561 F HN -0.303 nan 8.300 nan 0.000 0.462 562 G N 0.106 108.991 108.800 0.143 0.000 2.462 562 G HA2 0.546 4.509 3.960 0.005 0.000 0.319 562 G HA3 0.546 4.509 3.960 0.005 0.000 0.319 562 G C -1.475 173.450 174.900 0.041 0.000 1.171 562 G CA -0.489 44.667 45.100 0.094 0.000 0.920 562 G HN 0.314 nan 8.290 nan 0.000 0.499 563 F N 0.224 120.195 119.950 0.036 0.000 2.495 563 F HA 0.317 4.847 4.527 0.005 0.000 0.365 563 F C 1.762 177.572 175.800 0.016 0.000 1.090 563 F CA 0.411 58.421 58.000 0.017 0.000 1.235 563 F CB 1.749 40.737 39.000 -0.021 0.000 1.119 563 F HN 0.512 nan 8.300 nan 0.000 0.562 564 T N -1.249 113.408 114.554 0.172 0.000 2.966 564 T HA 0.272 4.625 4.350 0.005 0.000 0.254 564 T C 0.967 175.735 174.700 0.114 0.000 0.961 564 T CA 0.162 62.331 62.100 0.115 0.000 0.915 564 T CB -0.377 68.536 68.868 0.074 0.000 1.186 564 T HN 0.664 nan 8.240 nan 0.000 0.505 565 G N 2.151 111.041 108.800 0.151 0.000 2.559 565 G HA2 0.478 4.441 3.960 0.005 0.000 0.235 565 G HA3 0.478 4.441 3.960 0.005 0.000 0.235 565 G C -0.489 174.505 174.900 0.156 0.000 1.266 565 G CA -0.548 44.654 45.100 0.171 0.000 0.847 565 G HN 0.402 nan 8.290 nan 0.000 0.583 566 R N 1.043 121.646 120.500 0.171 0.000 2.673 566 R HA 0.244 4.587 4.340 0.005 0.000 0.281 566 R C -0.515 175.930 176.300 0.242 0.000 0.991 566 R CA -1.048 55.149 56.100 0.161 0.000 0.896 566 R CB 1.727 32.096 30.300 0.114 0.000 1.201 566 R HN 0.439 nan 8.270 nan 0.000 0.457 567 L N 4.348 125.757 121.223 0.311 0.000 2.667 567 L HA -0.045 4.297 4.340 0.005 0.000 0.278 567 L C -1.036 175.980 176.870 0.243 0.000 1.217 567 L CA -0.349 54.724 54.840 0.389 0.000 0.935 567 L CB 0.227 42.560 42.059 0.456 0.000 1.193 567 L HN 0.329 nan 8.230 nan 0.000 0.493 568 P HA 0.058 nan 4.420 nan 0.000 0.255 568 P C 0.008 177.345 177.300 0.062 0.000 1.248 568 P CA 0.530 63.661 63.100 0.051 0.000 0.807 568 P CB 0.582 32.239 31.700 -0.071 0.000 1.150 569 R N -1.734 118.844 120.500 0.129 0.000 2.764 569 R HA 0.435 4.778 4.340 0.005 0.000 0.270 569 R C -0.528 175.922 176.300 0.249 0.000 1.014 569 R CA -0.616 55.573 56.100 0.149 0.000 0.904 569 R CB 1.141 31.491 30.300 0.083 0.000 1.236 569 R HN -0.248 nan 8.270 nan 0.000 0.466 570 T N 1.342 116.049 114.554 0.256 0.000 2.884 570 T HA 0.109 4.462 4.350 0.005 0.000 0.298 570 T C -0.766 174.095 174.700 0.268 0.000 0.998 570 T CA 0.062 62.352 62.100 0.316 0.000 1.124 570 T CB 0.510 69.599 68.868 0.367 0.000 0.931 570 T HN 0.204 nan 8.240 nan 0.000 0.531 571 W N 6.677 128.060 121.300 0.137 0.000 2.316 571 W HA 0.389 5.052 4.660 0.005 0.000 0.308 571 W C -0.904 175.560 176.519 -0.091 0.000 1.106 571 W CA -2.059 55.286 57.345 0.000 0.000 1.262 571 W CB 0.308 29.860 29.460 0.154 0.000 1.233 571 W HN 0.610 nan 8.180 nan 0.000 0.447 572 F N 3.225 123.311 119.950 0.227 0.000 2.382 572 F HA 0.399 4.929 4.527 0.005 0.000 0.331 572 F C 1.116 177.009 175.800 0.155 0.000 1.121 572 F CA -0.845 57.221 58.000 0.111 0.000 1.183 572 F CB 0.544 39.568 39.000 0.040 0.000 1.207 572 F HN 0.267 nan 8.300 nan 0.000 0.555 573 K N 0.410 120.993 120.400 0.303 0.000 2.137 573 K HA 0.100 4.423 4.320 0.005 0.000 0.202 573 K C -0.069 176.719 176.600 0.313 0.000 1.052 573 K CA 1.190 57.587 56.287 0.184 0.000 0.961 573 K CB -0.012 32.510 32.500 0.038 0.000 0.741 573 K HN 0.856 nan 8.250 nan 0.000 0.452 574 S N -1.508 114.404 115.700 0.353 0.000 2.588 574 S HA 0.133 4.605 4.470 0.005 0.000 0.269 574 S C 0.702 175.244 174.600 -0.095 0.000 1.157 574 S CA -0.608 57.719 58.200 0.212 0.000 0.824 574 S CB 1.387 64.645 63.200 0.097 0.000 1.126 574 S HN -0.082 nan 8.310 nan 0.000 0.464 575 V N -1.394 118.381 119.914 -0.231 0.000 2.759 575 V HA -0.034 4.089 4.120 0.005 0.000 0.256 575 V C 1.221 177.201 176.094 -0.190 0.000 1.080 575 V CA 2.035 64.104 62.300 -0.384 0.000 1.101 575 V CB -1.527 30.112 31.823 -0.306 0.000 0.698 575 V HN 0.883 nan 8.190 nan 0.000 0.477 576 D N -0.045 120.304 120.400 -0.084 0.000 2.363 576 D HA -0.090 4.553 4.640 0.005 0.000 0.220 576 D C 2.013 178.316 176.300 0.004 0.000 0.994 576 D CA 0.615 54.593 54.000 -0.036 0.000 0.890 576 D CB -0.315 40.478 40.800 -0.012 0.000 0.906 576 D HN 0.535 nan 8.370 nan 0.000 0.530 577 Q N 0.154 119.955 119.800 0.002 0.000 2.245 577 Q HA 0.064 4.407 4.340 0.005 0.000 0.201 577 Q C 0.536 176.635 176.000 0.165 0.000 0.955 577 Q CA 0.322 56.184 55.803 0.098 0.000 0.870 577 Q CB 0.177 28.946 28.738 0.052 0.000 0.945 577 Q HN 0.409 nan 8.270 nan 0.000 0.461 578 L N 2.960 124.185 121.223 0.003 0.000 2.461 578 L HA 0.158 4.501 4.340 0.005 0.000 0.272 578 L C -1.772 175.126 176.870 0.047 0.000 1.197 578 L CA -1.633 53.217 54.840 0.016 0.000 0.836 578 L CB -0.503 41.480 42.059 -0.126 0.000 1.105 578 L HN 0.024 nan 8.230 nan 0.000 0.477 579 P HA 0.198 nan 4.420 nan 0.000 0.274 579 P C -0.895 176.547 177.300 0.237 0.000 1.246 579 P CA -0.453 62.713 63.100 0.110 0.000 0.795 579 P CB 1.403 33.153 31.700 0.084 0.000 1.006 580 M N 1.602 121.339 119.600 0.228 0.000 2.457 580 M HA 0.240 4.723 4.480 0.005 0.000 0.186 580 M C -2.125 174.341 176.300 0.276 0.000 0.962 580 M CA -0.225 55.234 55.300 0.264 0.000 0.909 580 M CB 0.474 33.090 32.600 0.027 0.000 2.798 580 M HN 0.249 nan 8.290 nan 0.000 0.412 581 N N 1.193 120.031 118.700 0.231 0.000 2.402 581 N HA 0.719 5.462 4.740 0.005 0.000 0.294 581 N C -0.644 174.824 175.510 -0.069 0.000 1.203 581 N CA -0.790 52.357 53.050 0.161 0.000 0.838 581 N CB 1.930 40.465 38.487 0.081 0.000 1.306 581 N HN 0.381 nan 8.380 nan 0.000 0.510 582 V N -0.365 119.412 119.914 -0.227 0.000 2.928 582 V HA 0.220 4.343 4.120 0.005 0.000 0.307 582 V C 1.574 177.421 176.094 -0.412 0.000 1.105 582 V CA 0.598 62.511 62.300 -0.645 0.000 1.223 582 V CB -0.328 31.317 31.823 -0.298 0.000 0.930 582 V HN 1.025 nan 8.190 nan 0.000 0.499 583 G N 1.746 110.276 108.800 -0.449 0.000 2.225 583 G HA2 -0.224 3.739 3.960 0.005 0.000 0.254 583 G HA3 -0.224 3.739 3.960 0.005 0.000 0.254 583 G C -0.045 174.782 174.900 -0.121 0.000 0.988 583 G CA 0.311 45.288 45.100 -0.205 0.000 0.625 583 G HN 0.852 nan 8.290 nan 0.000 0.527 584 D N -0.173 120.159 120.400 -0.114 0.000 2.369 584 D HA 0.618 5.261 4.640 0.005 0.000 0.241 584 D C 1.587 177.965 176.300 0.130 0.000 1.271 584 D CA 0.613 54.659 54.000 0.077 0.000 0.942 584 D CB 0.506 41.447 40.800 0.236 0.000 1.129 584 D HN 0.426 nan 8.370 nan 0.000 0.476 585 A N 0.161 123.097 122.820 0.192 0.000 1.861 585 A HA -0.086 4.237 4.320 0.005 0.000 0.212 585 A C 1.185 178.917 177.584 0.247 0.000 1.199 585 A CA 1.025 53.163 52.037 0.169 0.000 0.613 585 A CB -0.964 18.103 19.000 0.111 0.000 0.846 585 A HN 0.790 nan 8.150 nan 0.000 0.446 586 H N -3.206 115.923 119.070 0.099 0.000 2.930 586 H HA 0.294 4.853 4.556 0.005 0.000 0.307 586 H C -0.359 175.060 175.328 0.151 0.000 1.247 586 H CA -0.675 55.430 56.048 0.094 0.000 1.181 586 H CB -0.796 29.004 29.762 0.064 0.000 1.390 586 H HN 0.374 nan 8.280 nan 0.000 0.549 587 Y N 2.300 122.575 120.300 -0.043 0.000 2.730 587 Y HA 0.044 4.597 4.550 0.005 0.000 0.354 587 Y C -0.260 175.582 175.900 -0.096 0.000 1.139 587 Y CA -0.570 57.459 58.100 -0.119 0.000 1.516 587 Y CB 0.173 38.617 38.460 -0.027 0.000 1.204 587 Y HN 0.539 nan 8.280 nan 0.000 0.520 588 D N 8.289 128.435 120.400 -0.425 0.000 2.849 588 D HA 0.237 4.880 4.640 0.005 0.000 0.314 588 D C -3.048 173.030 176.300 -0.369 0.000 1.210 588 D CA -1.858 51.944 54.000 -0.331 0.000 0.756 588 D CB 0.795 41.498 40.800 -0.162 0.000 1.222 588 D HN 0.231 nan 8.370 nan 0.000 0.521 589 P HA 0.089 nan 4.420 nan 0.000 0.276 589 P C 0.681 177.803 177.300 -0.298 0.000 1.261 589 P CA -0.642 62.230 63.100 -0.380 0.000 0.800 589 P CB 1.820 33.217 31.700 -0.506 0.000 1.066 590 L N 0.174 121.246 121.223 -0.252 0.000 2.249 590 L HA 0.338 4.681 4.340 0.005 0.000 0.207 590 L C 0.089 176.358 176.870 -1.002 0.000 1.090 590 L CA 1.327 55.843 54.840 -0.541 0.000 0.802 590 L CB -0.329 41.475 42.059 -0.425 0.000 0.947 590 L HN 0.227 nan 8.230 nan 0.000 0.453 591 F N 0.128 119.981 119.950 -0.162 0.000 2.585 591 F HA 0.466 4.996 4.527 0.005 0.000 0.319 591 F C 0.205 176.005 175.800 -0.000 0.000 1.165 591 F CA -0.926 56.926 58.000 -0.246 0.000 0.949 591 F CB 1.120 39.947 39.000 -0.290 0.000 1.218 591 F HN -0.310 nan 8.300 nan 0.000 0.453 592 R N 1.843 122.445 120.500 0.170 0.000 2.679 592 R HA 0.383 4.725 4.340 0.005 0.000 0.269 592 R C -0.271 176.257 176.300 0.381 0.000 1.076 592 R CA -0.945 55.327 56.100 0.286 0.000 1.160 592 R CB 0.960 31.440 30.300 0.299 0.000 1.054 592 R HN 0.653 nan 8.270 nan 0.000 0.507 593 L N 0.735 122.187 121.223 0.381 0.000 2.514 593 L HA 0.051 4.394 4.340 0.005 0.000 0.280 593 L C 1.133 178.166 176.870 0.272 0.000 1.223 593 L CA 1.807 56.828 54.840 0.303 0.000 0.864 593 L CB 0.443 42.637 42.059 0.226 0.000 1.118 593 L HN 0.944 nan 8.230 nan 0.000 0.494 594 G N 1.994 110.942 108.800 0.248 0.000 2.199 594 G HA2 -0.364 3.599 3.960 0.005 0.000 0.254 594 G HA3 -0.364 3.599 3.960 0.005 0.000 0.254 594 G C -0.035 174.996 174.900 0.219 0.000 0.982 594 G CA 0.243 45.462 45.100 0.198 0.000 0.632 594 G HN 0.817 nan 8.290 nan 0.000 0.529 595 Y N 1.438 121.844 120.300 0.175 0.000 2.397 595 Y HA 0.452 5.005 4.550 0.005 0.000 0.335 595 Y C 0.653 176.608 175.900 0.092 0.000 1.213 595 Y CA 0.959 59.150 58.100 0.151 0.000 1.391 595 Y CB 1.299 39.893 38.460 0.224 0.000 1.293 595 Y HN 0.906 nan 8.280 nan 0.000 0.557 596 G N 6.329 114.665 108.800 -0.773 0.000 2.174 596 G HA2 0.254 4.217 3.960 0.005 0.000 0.312 596 G HA3 0.254 4.217 3.960 0.005 0.000 0.312 596 G C -1.889 172.726 174.900 -0.475 0.000 1.663 596 G CA -1.001 43.807 45.100 -0.487 0.000 0.920 596 G HN 0.781 nan 8.290 nan 0.000 0.664 597 L N 1.517 122.479 121.223 -0.434 0.000 2.464 597 L HA 0.603 4.946 4.340 0.005 0.000 0.264 597 L C 1.334 178.111 176.870 -0.154 0.000 1.199 597 L CA -0.365 54.307 54.840 -0.280 0.000 0.818 597 L CB 1.020 42.927 42.059 -0.254 0.000 1.102 597 L HN 0.738 nan 8.230 nan 0.000 0.473 598 T N -1.979 112.525 114.554 -0.082 0.000 2.905 598 T HA 0.837 5.190 4.350 0.005 0.000 0.283 598 T C -0.248 174.474 174.700 0.037 0.000 1.031 598 T CA -0.564 61.548 62.100 0.020 0.000 1.002 598 T CB 2.090 70.976 68.868 0.030 0.000 1.200 598 T HN 0.784 nan 8.240 nan 0.000 0.560 599 T N -1.646 112.980 114.554 0.119 0.000 2.769 599 T HA 0.568 4.921 4.350 0.005 0.000 0.306 599 T C -1.534 173.230 174.700 0.108 0.000 1.400 599 T CA -1.132 61.037 62.100 0.114 0.000 1.007 599 T CB 0.815 69.808 68.868 0.209 0.000 1.392 599 T HN 0.743 nan 8.240 nan 0.000 0.500 600 N N -0.285 118.460 118.700 0.075 0.000 2.319 600 N HA 0.671 5.413 4.740 0.005 0.000 0.305 600 N C -0.353 175.181 175.510 0.040 0.000 1.103 600 N CA -1.001 52.081 53.050 0.053 0.000 0.815 600 N CB 1.708 40.213 38.487 0.031 0.000 1.288 600 N HN 1.031 nan 8.380 nan 0.000 0.493 601 A N 0.662 123.491 122.820 0.015 0.000 2.483 601 A HA 0.246 4.569 4.320 0.005 0.000 0.238 601 A C 0.868 178.433 177.584 -0.031 0.000 1.070 601 A CA -0.155 51.862 52.037 -0.033 0.000 0.770 601 A CB -0.276 18.658 19.000 -0.111 0.000 1.008 601 A HN 0.697 nan 8.150 nan 0.000 0.497 602 T N 0.000 114.535 114.554 -0.031 0.000 3.816 602 T HA 0.000 4.353 4.350 0.005 0.000 0.228 602 T CA 0.000 62.089 62.100 -0.019 0.000 1.349 602 T CB 0.000 68.870 68.868 0.003 0.000 0.612 602 T HN 0.000 nan 8.240 nan 0.000 0.658