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 1x39_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 0.000 176.344 176.300 0.074 0.000 2.045 1 D CA 0.000 54.035 54.000 0.058 0.000 0.868 1 D CB 0.000 40.824 40.800 0.040 0.000 0.688 2 Y N 2.014 122.306 120.300 -0.012 0.000 2.620 2 Y HA 0.400 4.953 4.550 0.005 0.000 0.330 2 Y C -0.684 175.199 175.900 -0.029 0.000 1.186 2 Y CA 0.270 58.356 58.100 -0.024 0.000 1.467 2 Y CB 0.524 38.969 38.460 -0.024 0.000 1.262 2 Y HN 0.102 nan 8.280 nan 0.000 0.550 3 V N 9.826 129.324 119.914 -0.693 0.000 2.293 3 V HA 0.076 4.199 4.120 0.006 0.000 0.275 3 V C 0.986 176.517 176.094 -0.939 0.000 1.021 3 V CA -0.484 61.439 62.300 -0.628 0.000 0.815 3 V CB 0.766 32.344 31.823 -0.408 0.000 1.025 3 V HN 1.064 nan 8.190 nan 0.000 0.448 4 L N 4.686 125.414 121.223 -0.825 0.000 2.042 4 L HA -0.188 4.156 4.340 0.006 0.000 0.210 4 L C 2.380 179.059 176.870 -0.319 0.000 1.076 4 L CA 2.332 56.831 54.840 -0.569 0.000 0.749 4 L CB -0.177 41.777 42.059 -0.174 0.000 0.893 4 L HN 0.894 nan 8.230 nan 0.000 0.432 5 Y N -0.737 119.399 120.300 -0.273 0.000 2.403 5 Y HA -0.142 4.412 4.550 0.007 0.000 0.291 5 Y C 1.989 177.805 175.900 -0.139 0.000 1.143 5 Y CA 0.963 58.909 58.100 -0.256 0.000 1.257 5 Y CB -0.747 37.632 38.460 -0.136 0.000 0.984 5 Y HN 0.049 nan 8.280 nan 0.000 0.550 6 K N 0.240 120.281 120.400 -0.598 0.000 2.459 6 K HA -0.047 4.276 4.320 0.006 0.000 0.193 6 K C -0.102 176.416 176.600 -0.136 0.000 1.030 6 K CA 0.481 56.551 56.287 -0.361 0.000 1.026 6 K CB -0.004 32.216 32.500 -0.468 0.000 0.809 6 K HN 0.218 nan 8.250 nan 0.000 0.504 7 D N 0.657 120.976 120.400 -0.134 0.000 2.380 7 D HA 0.145 4.789 4.640 0.006 0.000 0.230 7 D C 0.629 176.931 176.300 0.002 0.000 1.154 7 D CA -0.221 53.773 54.000 -0.010 0.000 0.859 7 D CB 1.317 42.173 40.800 0.094 0.000 1.045 7 D HN 0.097 nan 8.370 nan 0.000 0.495 8 A N 2.885 125.727 122.820 0.037 0.000 2.125 8 A HA -0.136 4.187 4.320 0.006 0.000 0.219 8 A C 1.915 179.519 177.584 0.033 0.000 1.156 8 A CA 1.764 53.832 52.037 0.051 0.000 0.671 8 A CB -0.533 18.511 19.000 0.074 0.000 0.794 8 A HN 0.626 nan 8.150 nan 0.000 0.459 9 T N -3.263 111.309 114.554 0.030 0.000 3.113 9 T HA 0.120 4.473 4.350 0.006 0.000 0.256 9 T C 0.727 175.431 174.700 0.006 0.000 1.131 9 T CA 0.140 62.253 62.100 0.022 0.000 1.074 9 T CB -0.041 68.842 68.868 0.025 0.000 0.944 9 T HN 0.074 nan 8.240 nan 0.000 0.516 10 K N 2.590 122.984 120.400 -0.011 0.000 2.118 10 K HA 0.480 4.804 4.320 0.006 0.000 0.264 10 K C -2.728 173.828 176.600 -0.074 0.000 1.000 10 K CA -2.976 53.289 56.287 -0.036 0.000 0.929 10 K CB 0.563 33.038 32.500 -0.041 0.000 1.021 10 K HN 0.102 nan 8.250 nan 0.000 0.463 11 P HA -0.012 nan 4.420 nan 0.000 0.266 11 P C 1.019 178.232 177.300 -0.146 0.000 1.195 11 P CA -0.138 62.915 63.100 -0.077 0.000 0.768 11 P CB 0.506 32.170 31.700 -0.059 0.000 0.838 12 V N 2.666 122.507 119.914 -0.122 0.000 2.250 12 V HA -0.279 3.845 4.120 0.006 0.000 0.250 12 V C 2.187 178.151 176.094 -0.218 0.000 1.060 12 V CA 1.936 64.132 62.300 -0.173 0.000 1.030 12 V CB -0.838 30.968 31.823 -0.027 0.000 0.643 12 V HN 0.614 nan 8.190 nan 0.000 0.445 13 E N -0.195 119.928 120.200 -0.128 0.000 2.153 13 E HA -0.200 4.154 4.350 0.006 0.000 0.194 13 E C 1.962 178.475 176.600 -0.144 0.000 0.988 13 E CA 1.320 57.652 56.400 -0.113 0.000 0.811 13 E CB -0.457 29.198 29.700 -0.075 0.000 0.746 13 E HN 0.648 nan 8.360 nan 0.000 0.466 14 D N 0.448 120.756 120.400 -0.154 0.000 2.117 14 D HA -0.091 4.553 4.640 0.006 0.000 0.198 14 D C 2.076 178.243 176.300 -0.223 0.000 0.982 14 D CA 0.779 54.692 54.000 -0.145 0.000 0.828 14 D CB -0.214 40.523 40.800 -0.105 0.000 0.967 14 D HN 0.135 nan 8.370 nan 0.000 0.464 15 R N 0.426 120.691 120.500 -0.393 0.000 2.081 15 R HA -0.059 4.285 4.340 0.006 0.000 0.235 15 R C 2.430 178.343 176.300 -0.645 0.000 1.131 15 R CA 0.662 56.360 56.100 -0.670 0.000 0.960 15 R CB -0.511 29.011 30.300 -1.297 0.000 0.856 15 R HN 0.070 nan 8.270 nan 0.000 0.436 16 V N 1.271 120.869 119.914 -0.527 0.000 2.255 16 V HA -0.291 3.832 4.120 0.006 0.000 0.247 16 V C 2.502 178.540 176.094 -0.093 0.000 1.051 16 V CA 2.117 64.334 62.300 -0.139 0.000 1.018 16 V CB -0.814 30.994 31.823 -0.026 0.000 0.641 16 V HN 0.441 nan 8.190 nan 0.000 0.445 17 A N -0.154 122.600 122.820 -0.110 0.000 1.902 17 A HA -0.321 4.002 4.320 0.006 0.000 0.217 17 A C 2.037 179.579 177.584 -0.070 0.000 1.181 17 A CA 2.341 54.333 52.037 -0.075 0.000 0.623 17 A CB -0.738 18.221 19.000 -0.068 0.000 0.818 17 A HN 0.653 nan 8.150 nan 0.000 0.443 18 D N -1.018 119.334 120.400 -0.080 0.000 2.117 18 D HA -0.127 4.516 4.640 0.006 0.000 0.198 18 D C 1.783 178.057 176.300 -0.044 0.000 0.982 18 D CA 1.207 55.184 54.000 -0.037 0.000 0.828 18 D CB -0.111 40.680 40.800 -0.014 0.000 0.967 18 D HN 0.237 nan 8.370 nan 0.000 0.464 19 L N 0.213 121.363 121.223 -0.122 0.000 2.027 19 L HA 0.003 4.346 4.340 0.006 0.000 0.206 19 L C 2.079 178.825 176.870 -0.207 0.000 1.074 19 L CA 1.399 56.029 54.840 -0.349 0.000 0.745 19 L CB -1.082 40.725 42.059 -0.420 0.000 0.898 19 L HN 0.233 nan 8.230 nan 0.000 0.433 20 L N 0.048 121.202 121.223 -0.115 0.000 2.079 20 L HA -0.082 4.262 4.340 0.006 0.000 0.210 20 L C 2.245 179.067 176.870 -0.081 0.000 1.081 20 L CA 2.110 56.898 54.840 -0.086 0.000 0.752 20 L CB -1.310 40.716 42.059 -0.054 0.000 0.896 20 L HN 0.349 nan 8.230 nan 0.000 0.433 21 G N -1.324 107.435 108.800 -0.068 0.000 2.559 21 G HA2 -0.180 3.784 3.960 0.006 0.000 0.216 21 G HA3 -0.180 3.784 3.960 0.006 0.000 0.216 21 G C 1.629 176.498 174.900 -0.050 0.000 1.126 21 G CA 0.457 45.526 45.100 -0.050 0.000 0.778 21 G HN 0.434 nan 8.290 nan 0.000 0.543 22 R N -0.942 119.518 120.500 -0.068 0.000 2.290 22 R HA 0.317 4.660 4.340 0.006 0.000 0.197 22 R C 0.622 176.870 176.300 -0.088 0.000 0.913 22 R CA -0.173 55.891 56.100 -0.059 0.000 1.040 22 R CB 0.205 30.480 30.300 -0.042 0.000 0.992 22 R HN 0.322 nan 8.270 nan 0.000 0.500 23 M N 1.333 120.865 119.600 -0.113 0.000 2.216 23 M HA 0.105 4.588 4.480 0.006 0.000 0.356 23 M C 0.583 176.801 176.300 -0.137 0.000 1.205 23 M CA -0.216 54.997 55.300 -0.145 0.000 1.122 23 M CB 1.509 34.018 32.600 -0.152 0.000 1.571 23 M HN 0.019 nan 8.290 nan 0.000 0.464 24 T N -0.328 114.117 114.554 -0.182 0.000 2.828 24 T HA 0.176 4.530 4.350 0.006 0.000 0.290 24 T C 0.851 175.458 174.700 -0.154 0.000 1.019 24 T CA -0.885 61.118 62.100 -0.160 0.000 1.031 24 T CB 0.828 69.581 68.868 -0.192 0.000 1.001 24 T HN 0.644 nan 8.240 nan 0.000 0.531 25 L N 1.734 122.893 121.223 -0.106 0.000 2.042 25 L HA 0.070 4.414 4.340 0.006 0.000 0.210 25 L C 2.770 179.586 176.870 -0.090 0.000 1.076 25 L CA 2.413 57.203 54.840 -0.083 0.000 0.749 25 L CB -1.591 40.435 42.059 -0.055 0.000 0.893 25 L HN 0.939 nan 8.230 nan 0.000 0.432 26 A N -0.812 121.949 122.820 -0.099 0.000 1.908 26 A HA -0.260 4.064 4.320 0.006 0.000 0.218 26 A C 2.187 179.681 177.584 -0.149 0.000 1.181 26 A CA 1.990 53.994 52.037 -0.056 0.000 0.627 26 A CB -0.669 18.348 19.000 0.027 0.000 0.818 26 A HN 0.627 nan 8.150 nan 0.000 0.445 27 E N -0.332 119.610 120.200 -0.431 0.000 2.106 27 E HA -0.167 4.186 4.350 0.006 0.000 0.192 27 E C 2.096 178.594 176.600 -0.170 0.000 0.984 27 E CA 1.315 57.432 56.400 -0.473 0.000 0.806 27 E CB -0.106 29.247 29.700 -0.579 0.000 0.750 27 E HN 0.604 nan 8.360 nan 0.000 0.458 28 K N 0.533 120.851 120.400 -0.136 0.000 2.002 28 K HA -0.110 4.214 4.320 0.006 0.000 0.209 28 K C 2.159 178.742 176.600 -0.029 0.000 1.048 28 K CA 1.135 57.376 56.287 -0.076 0.000 0.930 28 K CB -0.138 32.320 32.500 -0.070 0.000 0.714 28 K HN 0.104 nan 8.250 nan 0.000 0.438 29 I N 0.840 121.401 120.570 -0.016 0.000 2.286 29 I HA -0.202 3.972 4.170 0.006 0.000 0.248 29 I C 2.474 178.647 176.117 0.094 0.000 1.115 29 I CA 1.182 62.497 61.300 0.026 0.000 1.392 29 I CB -0.694 37.294 38.000 -0.020 0.000 1.065 29 I HN 0.331 nan 8.210 nan 0.000 0.418 30 G N 0.237 109.096 108.800 0.097 0.000 2.476 30 G HA2 -0.286 3.678 3.960 0.006 0.000 0.218 30 G HA3 -0.286 3.678 3.960 0.006 0.000 0.218 30 G C 1.543 176.485 174.900 0.071 0.000 1.164 30 G CA 0.510 45.691 45.100 0.136 0.000 0.768 30 G HN 0.282 nan 8.290 nan 0.000 0.560 31 Q N -0.103 119.710 119.800 0.020 0.000 2.181 31 Q HA -0.003 4.341 4.340 0.006 0.000 0.205 31 Q C 2.575 178.537 176.000 -0.063 0.000 0.980 31 Q CA 1.063 56.841 55.803 -0.042 0.000 0.862 31 Q CB -0.321 28.376 28.738 -0.069 0.000 0.905 31 Q HN 0.578 nan 8.270 nan 0.000 0.429 32 M N -0.081 119.523 119.600 0.008 0.000 2.659 32 M HA -0.008 4.475 4.480 0.006 0.000 0.243 32 M C 0.005 176.350 176.300 0.074 0.000 1.111 32 M CA 0.469 55.792 55.300 0.038 0.000 1.070 32 M CB 0.262 32.943 32.600 0.136 0.000 1.525 32 M HN -0.187 nan 8.290 nan 0.000 0.517 33 T N 1.252 115.852 114.554 0.077 0.000 2.758 33 T HA 0.298 4.652 4.350 0.006 0.000 0.285 33 T C -0.496 174.169 174.700 -0.058 0.000 0.981 33 T CA -0.520 61.606 62.100 0.043 0.000 0.965 33 T CB 1.617 70.601 68.868 0.194 0.000 0.927 33 T HN 0.204 nan 8.240 nan 0.000 0.448 34 Q N 3.968 123.699 119.800 -0.115 0.000 2.322 34 Q HA 0.668 5.012 4.340 0.006 0.000 0.265 34 Q C -0.898 175.016 176.000 -0.144 0.000 0.985 34 Q CA -0.835 54.907 55.803 -0.102 0.000 0.849 34 Q CB 0.910 29.627 28.738 -0.035 0.000 1.274 34 Q HN 0.827 nan 8.270 nan 0.000 0.449 35 I N -0.463 120.008 120.570 -0.166 0.000 2.740 35 I HA 0.565 4.738 4.170 0.006 0.000 0.303 35 I C -0.265 175.728 176.117 -0.208 0.000 1.044 35 I CA -1.074 60.118 61.300 -0.182 0.000 1.064 35 I CB 2.041 39.933 38.000 -0.180 0.000 1.249 35 I HN 0.439 nan 8.210 nan 0.000 0.433 36 E N 3.450 123.537 120.200 -0.188 0.000 2.414 36 E HA 0.015 4.368 4.350 0.006 0.000 0.263 36 E C 0.921 177.448 176.600 -0.121 0.000 1.000 36 E CA 0.092 56.425 56.400 -0.112 0.000 0.914 36 E CB 1.285 30.945 29.700 -0.065 0.000 0.948 36 E HN 0.756 nan 8.360 nan 0.000 0.444 37 R N 3.418 123.871 120.500 -0.078 0.000 2.170 37 R HA -0.173 4.171 4.340 0.006 0.000 0.242 37 R C 1.993 178.322 176.300 0.049 0.000 1.145 37 R CA 1.271 57.331 56.100 -0.067 0.000 0.984 37 R CB -0.442 30.028 30.300 0.282 0.000 0.869 37 R HN 0.418 nan 8.270 nan 0.000 0.455 38 L N 1.484 122.756 121.223 0.083 0.000 2.265 38 L HA -0.086 4.257 4.340 0.006 0.000 0.215 38 L C 2.012 178.923 176.870 0.068 0.000 1.117 38 L CA 0.909 55.806 54.840 0.095 0.000 0.782 38 L CB -0.085 42.038 42.059 0.107 0.000 0.914 38 L HN 0.297 nan 8.230 nan 0.000 0.441 39 V N -4.504 115.429 119.914 0.033 0.000 3.578 39 V HA 0.457 4.580 4.120 0.006 0.000 0.290 39 V C 0.828 176.930 176.094 0.014 0.000 1.376 39 V CA -0.190 62.150 62.300 0.066 0.000 1.083 39 V CB -0.375 31.533 31.823 0.142 0.000 0.911 39 V HN 0.120 nan 8.190 nan 0.000 0.433 40 A N 1.538 124.312 122.820 -0.077 0.000 2.327 40 A HA 0.784 5.108 4.320 0.006 0.000 0.283 40 A C 0.433 178.036 177.584 0.031 0.000 1.127 40 A CA 0.501 52.432 52.037 -0.175 0.000 0.810 40 A CB 0.516 19.194 19.000 -0.536 0.000 1.066 40 A HN 0.920 nan 8.150 nan 0.000 0.492 41 T N -0.598 113.974 114.554 0.029 0.000 2.864 41 T HA 0.629 4.983 4.350 0.006 0.000 0.299 41 T C -2.537 172.219 174.700 0.093 0.000 1.166 41 T CA -1.515 60.653 62.100 0.114 0.000 1.007 41 T CB 1.612 70.518 68.868 0.063 0.000 1.219 41 T HN 0.178 nan 8.240 nan 0.000 0.506 42 P HA -0.067 nan 4.420 nan 0.000 0.215 42 P C 0.968 178.272 177.300 0.006 0.000 1.157 42 P CA 1.140 64.284 63.100 0.074 0.000 0.874 42 P CB -0.001 31.734 31.700 0.057 0.000 0.790 43 D N -1.001 119.396 120.400 -0.005 0.000 2.117 43 D HA -0.106 4.538 4.640 0.006 0.000 0.197 43 D C 2.040 178.293 176.300 -0.078 0.000 0.987 43 D CA 0.942 54.920 54.000 -0.037 0.000 0.829 43 D CB -0.823 39.966 40.800 -0.017 0.000 0.961 43 D HN -0.042 nan 8.370 nan 0.000 0.460 44 V N 0.994 120.860 119.914 -0.080 0.000 2.343 44 V HA -0.216 3.908 4.120 0.006 0.000 0.247 44 V C 2.622 178.575 176.094 -0.236 0.000 1.051 44 V CA 1.162 63.363 62.300 -0.164 0.000 1.036 44 V CB -0.416 31.274 31.823 -0.222 0.000 0.654 44 V HN 0.205 nan 8.190 nan 0.000 0.451 45 L N -0.603 120.511 121.223 -0.181 0.000 2.093 45 L HA -0.152 4.192 4.340 0.006 0.000 0.208 45 L C 2.715 179.481 176.870 -0.174 0.000 1.085 45 L CA 1.734 56.473 54.840 -0.169 0.000 0.755 45 L CB -0.541 41.468 42.059 -0.083 0.000 0.904 45 L HN 0.262 nan 8.230 nan 0.000 0.435 46 R N 0.181 120.579 120.500 -0.171 0.000 2.057 46 R HA -0.142 4.201 4.340 0.006 0.000 0.229 46 R C 1.832 177.837 176.300 -0.492 0.000 1.136 46 R CA 1.700 57.658 56.100 -0.237 0.000 0.952 46 R CB -0.059 30.156 30.300 -0.141 0.000 0.848 46 R HN 0.250 nan 8.270 nan 0.000 0.430 47 D N 0.272 120.446 120.400 -0.377 0.000 2.178 47 D HA -0.098 4.545 4.640 0.006 0.000 0.202 47 D C 0.841 176.825 176.300 -0.527 0.000 0.974 47 D CA 0.985 54.733 54.000 -0.421 0.000 0.841 47 D CB -0.132 40.555 40.800 -0.189 0.000 0.953 47 D HN 0.310 nan 8.370 nan 0.000 0.478 48 N N -0.200 118.273 118.700 -0.378 0.000 2.236 48 N HA 0.028 4.771 4.740 0.006 0.000 0.196 48 N C -0.158 175.344 175.510 -0.014 0.000 1.114 48 N CA -0.112 52.847 53.050 -0.151 0.000 0.859 48 N CB 0.704 39.146 38.487 -0.074 0.000 0.982 48 N HN 0.095 nan 8.380 nan 0.000 0.493 49 F N 0.664 120.592 119.950 -0.036 0.000 3.067 49 F HA -0.215 4.315 4.527 0.005 0.000 0.279 49 F C 0.113 175.880 175.800 -0.055 0.000 0.945 49 F CA -0.052 57.925 58.000 -0.038 0.000 0.948 49 F CB -1.645 37.340 39.000 -0.024 0.000 0.898 49 F HN 0.035 nan 8.300 nan 0.000 0.746 50 I N 0.843 121.419 120.570 0.009 0.000 2.683 50 I HA -0.034 4.139 4.170 0.006 0.000 0.286 50 I C 1.756 177.850 176.117 -0.038 0.000 1.175 50 I CA 1.171 62.448 61.300 -0.039 0.000 1.429 50 I CB 0.389 38.302 38.000 -0.145 0.000 1.371 50 I HN 0.377 nan 8.210 nan 0.000 0.569 51 G N 4.281 113.053 108.800 -0.047 0.000 2.539 51 G HA2 0.033 3.996 3.960 0.006 0.000 0.215 51 G HA3 0.033 3.996 3.960 0.006 0.000 0.215 51 G C 0.607 175.450 174.900 -0.095 0.000 1.141 51 G CA 0.337 45.389 45.100 -0.080 0.000 0.806 51 G HN 0.573 nan 8.290 nan 0.000 0.533 52 S N -1.395 114.252 115.700 -0.088 0.000 2.547 52 S HA 0.690 5.163 4.470 0.006 0.000 0.270 52 S C -1.858 172.668 174.600 -0.124 0.000 1.150 52 S CA -0.634 57.528 58.200 -0.064 0.000 0.850 52 S CB 1.293 64.489 63.200 -0.006 0.000 1.118 52 S HN 0.023 nan 8.310 nan 0.000 0.461 53 L N 3.105 124.215 121.223 -0.189 0.000 2.309 53 L HA 0.837 5.180 4.340 0.006 0.000 0.261 53 L C -0.721 175.808 176.870 -0.567 0.000 1.021 53 L CA -0.614 53.988 54.840 -0.397 0.000 0.823 53 L CB 1.872 43.616 42.059 -0.525 0.000 1.366 53 L HN 0.796 nan 8.230 nan 0.000 0.423 54 L N -2.220 118.706 121.223 -0.495 0.000 2.409 54 L HA 0.816 5.160 4.340 0.006 0.000 0.255 54 L C -0.917 175.888 176.870 -0.110 0.000 1.027 54 L CA -0.481 54.150 54.840 -0.348 0.000 0.834 54 L CB 2.409 44.576 42.059 0.180 0.000 1.426 54 L HN 0.387 nan 8.230 nan 0.000 0.411 55 S N 0.638 116.473 115.700 0.226 0.000 2.438 55 S HA 0.662 5.135 4.470 0.006 0.000 0.316 55 S C 0.301 175.162 174.600 0.436 0.000 1.084 55 S CA -0.194 58.269 58.200 0.438 0.000 1.107 55 S CB 1.259 64.849 63.200 0.650 0.000 0.981 55 S HN 1.008 nan 8.310 nan 0.000 0.466 56 G N 1.976 111.040 108.800 0.441 0.000 2.653 56 G HA2 0.469 4.432 3.960 0.006 0.000 0.265 56 G HA3 0.469 4.432 3.960 0.006 0.000 0.265 56 G C 0.478 175.533 174.900 0.258 0.000 1.237 56 G CA -0.525 44.744 45.100 0.282 0.000 0.946 56 G HN 0.818 nan 8.290 nan 0.000 0.522 57 G N -1.689 107.224 108.800 0.189 0.000 2.272 57 G HA2 0.498 4.461 3.960 0.006 0.000 0.247 57 G HA3 0.498 4.461 3.960 0.006 0.000 0.247 57 G C 1.270 176.319 174.900 0.248 0.000 1.272 57 G CA 0.760 46.075 45.100 0.358 0.000 0.921 57 G HN 1.990 nan 8.290 nan 0.000 0.495 58 G N 1.017 110.004 108.800 0.313 0.000 2.184 58 G HA2 -0.266 3.697 3.960 0.006 0.000 0.264 58 G HA3 -0.266 3.697 3.960 0.006 0.000 0.264 58 G C 0.845 175.895 174.900 0.250 0.000 0.975 58 G CA 0.720 45.977 45.100 0.263 0.000 0.642 58 G HN 1.511 nan 8.290 nan 0.000 0.536 59 S N 0.473 116.347 115.700 0.291 0.000 2.494 59 S HA 0.575 5.048 4.470 0.006 0.000 0.312 59 S C 0.327 175.119 174.600 0.319 0.000 1.121 59 S CA 0.218 58.587 58.200 0.282 0.000 1.068 59 S CB 0.081 63.468 63.200 0.311 0.000 1.141 59 S HN 1.686 nan 8.310 nan 0.000 0.527 60 V N 3.928 123.945 119.914 0.173 0.000 2.962 60 V HA 0.693 4.816 4.120 0.006 0.000 0.313 60 V C -1.927 174.037 176.094 -0.215 0.000 1.099 60 V CA -1.981 60.298 62.300 -0.035 0.000 0.971 60 V CB 1.493 33.427 31.823 0.185 0.000 1.028 60 V HN 0.455 nan 8.190 nan 0.000 0.430 61 P HA 0.006 nan 4.420 nan 0.000 0.217 61 P C 0.229 177.402 177.300 -0.212 0.000 1.150 61 P CA 1.067 63.953 63.100 -0.358 0.000 0.832 61 P CB 0.262 31.642 31.700 -0.533 0.000 0.787 62 R N -1.545 118.834 120.500 -0.202 0.000 2.692 62 R HA 0.309 4.652 4.340 0.006 0.000 0.269 62 R C -0.429 175.838 176.300 -0.055 0.000 1.030 62 R CA -0.973 55.066 56.100 -0.103 0.000 0.882 62 R CB 1.476 31.714 30.300 -0.103 0.000 1.250 62 R HN -0.184 nan 8.270 nan 0.000 0.465 63 K N 0.754 121.137 120.400 -0.029 0.000 2.451 63 K HA 0.087 4.411 4.320 0.006 0.000 0.280 63 K C 0.885 177.440 176.600 -0.075 0.000 1.020 63 K CA 1.074 57.351 56.287 -0.016 0.000 1.008 63 K CB 0.650 33.137 32.500 -0.022 0.000 0.917 63 K HN 0.932 nan 8.250 nan 0.000 0.478 64 G N 1.415 110.164 108.800 -0.085 0.000 2.160 64 G HA2 -0.317 3.647 3.960 0.006 0.000 0.251 64 G HA3 -0.317 3.647 3.960 0.006 0.000 0.251 64 G C 0.323 175.184 174.900 -0.064 0.000 1.008 64 G CA 0.295 45.215 45.100 -0.300 0.000 0.724 64 G HN 0.869 nan 8.290 nan 0.000 0.514 65 A N 0.485 123.347 122.820 0.070 0.000 2.511 65 A HA 0.607 4.930 4.320 0.006 0.000 0.242 65 A C 1.253 178.982 177.584 0.241 0.000 1.069 65 A CA 1.200 53.282 52.037 0.074 0.000 0.763 65 A CB 0.099 19.036 19.000 -0.105 0.000 1.001 65 A HN 1.903 nan 8.150 nan 0.000 0.498 66 T N -0.307 114.349 114.554 0.171 0.000 2.766 66 T HA 0.451 4.804 4.350 0.006 0.000 0.295 66 T C 1.424 176.307 174.700 0.306 0.000 1.024 66 T CA -0.012 62.214 62.100 0.210 0.000 1.018 66 T CB 0.898 69.837 68.868 0.118 0.000 1.002 66 T HN 1.284 nan 8.240 nan 0.000 0.532 67 A N 0.824 123.780 122.820 0.227 0.000 1.908 67 A HA -0.100 4.224 4.320 0.006 0.000 0.218 67 A C 2.351 180.050 177.584 0.191 0.000 1.181 67 A CA 2.040 54.198 52.037 0.201 0.000 0.627 67 A CB -0.992 18.063 19.000 0.093 0.000 0.818 67 A HN 0.998 nan 8.150 nan 0.000 0.445 68 K N -0.164 120.310 120.400 0.124 0.000 2.063 68 K HA -0.207 4.116 4.320 0.006 0.000 0.208 68 K C 1.876 178.518 176.600 0.070 0.000 1.048 68 K CA 1.729 58.064 56.287 0.080 0.000 0.928 68 K CB -0.208 32.320 32.500 0.046 0.000 0.713 68 K HN 0.639 nan 8.250 nan 0.000 0.442 69 E N -0.507 119.735 120.200 0.069 0.000 2.077 69 E HA -0.207 4.147 4.350 0.006 0.000 0.193 69 E C 1.788 178.360 176.600 -0.047 0.000 0.989 69 E CA 1.590 57.977 56.400 -0.022 0.000 0.800 69 E CB -0.180 29.476 29.700 -0.073 0.000 0.746 69 E HN 0.436 nan 8.360 nan 0.000 0.452 70 W N 1.534 122.817 121.300 -0.029 0.000 2.355 70 W HA -0.178 4.485 4.660 0.005 0.000 0.309 70 W C 2.499 178.966 176.519 -0.086 0.000 1.206 70 W CA 1.055 58.367 57.345 -0.054 0.000 1.284 70 W CB -0.251 29.187 29.460 -0.036 0.000 1.145 70 W HN 0.107 nan 8.180 nan 0.000 0.502 71 Q N -0.192 119.715 119.800 0.178 0.000 2.096 71 Q HA -0.216 4.128 4.340 0.006 0.000 0.204 71 Q C 1.653 177.668 176.000 0.025 0.000 0.982 71 Q CA 1.675 57.530 55.803 0.085 0.000 0.850 71 Q CB -0.494 28.288 28.738 0.072 0.000 0.901 71 Q HN 0.265 nan 8.270 nan 0.000 0.422 72 D N 0.349 120.743 120.400 -0.010 0.000 2.144 72 D HA -0.156 4.488 4.640 0.006 0.000 0.199 72 D C 1.747 177.965 176.300 -0.137 0.000 0.984 72 D CA 0.918 54.880 54.000 -0.062 0.000 0.834 72 D CB -0.201 40.556 40.800 -0.071 0.000 0.955 72 D HN 0.218 nan 8.370 nan 0.000 0.465 73 M N 0.472 119.962 119.600 -0.183 0.000 2.067 73 M HA -0.171 4.312 4.480 0.006 0.000 0.260 73 M C 1.932 178.007 176.300 -0.375 0.000 1.069 73 M CA 1.341 56.430 55.300 -0.350 0.000 1.117 73 M CB 0.004 32.411 32.600 -0.322 0.000 1.334 73 M HN -0.136 nan 8.290 nan 0.000 0.407 74 V N 1.058 120.893 119.914 -0.132 0.000 2.295 74 V HA -0.294 3.830 4.120 0.006 0.000 0.246 74 V C 1.877 178.019 176.094 0.080 0.000 1.049 74 V CA 2.161 64.464 62.300 0.005 0.000 1.024 74 V CB -1.108 30.674 31.823 -0.069 0.000 0.648 74 V HN 0.471 nan 8.190 nan 0.000 0.447 75 D N 0.707 121.146 120.400 0.065 0.000 2.144 75 D HA -0.112 4.531 4.640 0.006 0.000 0.199 75 D C 2.212 178.588 176.300 0.126 0.000 0.984 75 D CA 1.596 55.706 54.000 0.184 0.000 0.834 75 D CB -0.587 40.295 40.800 0.137 0.000 0.955 75 D HN 0.477 nan 8.370 nan 0.000 0.465 76 G N -0.186 108.579 108.800 -0.059 0.000 2.418 76 G HA2 -0.235 3.728 3.960 0.006 0.000 0.217 76 G HA3 -0.235 3.728 3.960 0.006 0.000 0.217 76 G C 1.598 176.496 174.900 -0.003 0.000 1.158 76 G CA 0.210 45.243 45.100 -0.112 0.000 0.771 76 G HN 0.277 nan 8.290 nan 0.000 0.545 77 F N 0.235 120.232 119.950 0.079 0.000 2.134 77 F HA -0.081 4.449 4.527 0.005 0.000 0.299 77 F C 2.993 178.833 175.800 0.067 0.000 1.097 77 F CA 1.145 59.191 58.000 0.078 0.000 1.264 77 F CB -0.107 38.971 39.000 0.130 0.000 1.001 77 F HN 0.130 nan 8.300 nan 0.000 0.479 78 Q N 1.355 121.311 119.800 0.261 0.000 2.096 78 Q HA -0.225 4.118 4.340 0.006 0.000 0.204 78 Q C 2.050 178.140 176.000 0.151 0.000 0.982 78 Q CA 1.730 57.601 55.803 0.113 0.000 0.850 78 Q CB -0.321 28.394 28.738 -0.039 0.000 0.901 78 Q HN 0.268 nan 8.270 nan 0.000 0.422 79 K N -0.879 119.694 120.400 0.289 0.000 2.063 79 K HA -0.185 4.139 4.320 0.006 0.000 0.208 79 K C 1.841 178.526 176.600 0.141 0.000 1.048 79 K CA 1.353 57.794 56.287 0.256 0.000 0.928 79 K CB -0.299 32.298 32.500 0.162 0.000 0.713 79 K HN 0.268 nan 8.250 nan 0.000 0.442 80 A N 0.705 123.596 122.820 0.120 0.000 1.873 80 A HA -0.165 4.158 4.320 0.006 0.000 0.215 80 A C 2.432 180.046 177.584 0.049 0.000 1.186 80 A CA 1.639 53.722 52.037 0.077 0.000 0.616 80 A CB -0.948 18.106 19.000 0.089 0.000 0.823 80 A HN 0.572 nan 8.150 nan 0.000 0.442 81 C N -0.787 118.542 119.300 0.049 0.000 2.425 81 C HA -0.071 4.393 4.460 0.006 0.000 0.277 81 C C 2.706 177.703 174.990 0.012 0.000 1.280 81 C CA 1.120 60.144 59.018 0.010 0.000 1.744 81 C CB -1.006 26.722 27.740 -0.019 0.000 1.989 81 C HN 0.553 nan 8.230 nan 0.000 0.491 82 M N 1.683 121.294 119.600 0.020 0.000 2.557 82 M HA -0.034 4.449 4.480 0.006 0.000 0.259 82 M C 2.146 178.489 176.300 0.072 0.000 1.086 82 M CA 1.198 56.517 55.300 0.032 0.000 1.096 82 M CB -1.256 31.380 32.600 0.060 0.000 1.424 82 M HN 0.600 nan 8.290 nan 0.000 0.488 83 S N -0.779 114.963 115.700 0.069 0.000 2.593 83 S HA 0.016 4.489 4.470 0.006 0.000 0.217 83 S C 0.997 175.638 174.600 0.069 0.000 0.966 83 S CA -0.010 58.230 58.200 0.066 0.000 0.914 83 S CB -0.892 62.339 63.200 0.051 0.000 0.776 83 S HN 0.532 nan 8.310 nan 0.000 0.523 84 T N -0.542 114.063 114.554 0.085 0.000 2.766 84 T HA 0.289 4.642 4.350 0.006 0.000 0.295 84 T C 1.007 175.807 174.700 0.165 0.000 1.024 84 T CA -0.606 61.579 62.100 0.142 0.000 1.018 84 T CB 0.813 69.819 68.868 0.229 0.000 1.002 84 T HN 0.291 nan 8.240 nan 0.000 0.532 85 R N -0.097 120.533 120.500 0.215 0.000 2.096 85 R HA -0.081 4.262 4.340 0.006 0.000 0.240 85 R C 2.034 178.428 176.300 0.156 0.000 1.139 85 R CA 1.722 57.920 56.100 0.164 0.000 0.952 85 R CB -0.537 29.858 30.300 0.159 0.000 0.854 85 R HN 0.778 nan 8.270 nan 0.000 0.436 86 L N -0.808 120.512 121.223 0.162 0.000 2.477 86 L HA 0.222 4.565 4.340 0.006 0.000 0.220 86 L C 1.046 178.073 176.870 0.262 0.000 1.106 86 L CA 0.371 55.334 54.840 0.204 0.000 0.851 86 L CB 0.196 42.299 42.059 0.074 0.000 0.994 86 L HN 0.560 nan 8.230 nan 0.000 0.462 87 G N 1.927 110.833 108.800 0.177 0.000 2.338 87 G HA2 -0.286 3.677 3.960 0.006 0.000 0.296 87 G HA3 -0.286 3.677 3.960 0.006 0.000 0.296 87 G C 0.077 175.017 174.900 0.066 0.000 1.040 87 G CA -0.083 45.094 45.100 0.128 0.000 1.004 87 G HN 0.321 nan 8.290 nan 0.000 0.509 88 I N 2.011 122.589 120.570 0.013 0.000 2.379 88 I HA 0.207 4.381 4.170 0.006 0.000 0.290 88 I C -1.297 174.626 176.117 -0.324 0.000 1.063 88 I CA -2.088 59.106 61.300 -0.177 0.000 1.351 88 I CB 0.951 38.908 38.000 -0.071 0.000 1.410 88 I HN 0.023 nan 8.210 nan 0.000 0.505 89 P HA 0.072 nan 4.420 nan 0.000 0.271 89 P C -0.610 176.497 177.300 -0.321 0.000 1.216 89 P CA -0.475 62.354 63.100 -0.453 0.000 0.776 89 P CB 0.813 32.158 31.700 -0.592 0.000 0.881 90 M N 2.958 122.451 119.600 -0.179 0.000 2.228 90 M HA 0.415 4.899 4.480 0.006 0.000 0.326 90 M C -0.270 175.993 176.300 -0.061 0.000 1.122 90 M CA -0.073 55.167 55.300 -0.100 0.000 1.161 90 M CB 0.256 32.836 32.600 -0.033 0.000 1.437 90 M HN 0.258 nan 8.290 nan 0.000 0.465 91 I N 2.070 122.633 120.570 -0.012 0.000 2.377 91 I HA 0.416 4.589 4.170 0.006 0.000 0.293 91 I C -1.818 174.411 176.117 0.187 0.000 0.987 91 I CA -0.873 60.473 61.300 0.078 0.000 1.185 91 I CB 0.961 38.992 38.000 0.052 0.000 1.341 91 I HN 0.824 nan 8.210 nan 0.000 0.455 92 Y N 6.184 126.560 120.300 0.127 0.000 2.331 92 Y HA 0.645 5.199 4.550 0.006 0.000 0.338 92 Y C 0.241 176.214 175.900 0.122 0.000 0.992 92 Y CA -0.428 57.756 58.100 0.140 0.000 1.121 92 Y CB 1.584 40.131 38.460 0.145 0.000 1.184 92 Y HN 0.587 nan 8.280 nan 0.000 0.469 93 G N 5.851 114.656 108.800 0.008 0.000 2.432 93 G HA2 0.665 4.628 3.960 0.006 0.000 0.331 93 G HA3 0.665 4.628 3.960 0.006 0.000 0.331 93 G C -1.868 172.791 174.900 -0.401 0.000 1.170 93 G CA -0.710 44.119 45.100 -0.453 0.000 0.943 93 G HN 0.749 nan 8.290 nan 0.000 0.483 94 I N -0.417 119.715 120.570 -0.730 0.000 2.908 94 I HA 0.243 4.416 4.170 0.006 0.000 0.300 94 I C -1.235 174.725 176.117 -0.261 0.000 1.385 94 I CA -0.982 60.195 61.300 -0.205 0.000 1.004 94 I CB 2.583 40.601 38.000 0.030 0.000 1.309 94 I HN 0.373 nan 8.210 nan 0.000 0.449 95 D N 6.624 127.070 120.400 0.078 0.000 2.455 95 D HA 0.226 4.870 4.640 0.006 0.000 0.234 95 D C -0.156 176.098 176.300 -0.076 0.000 1.224 95 D CA 0.104 54.071 54.000 -0.055 0.000 0.999 95 D CB 0.962 41.567 40.800 -0.325 0.000 1.072 95 D HN 0.470 nan 8.370 nan 0.000 0.514 96 A N 2.177 124.932 122.820 -0.108 0.000 2.774 96 A HA 0.274 4.598 4.320 0.006 0.000 0.326 96 A C 1.189 178.742 177.584 -0.052 0.000 1.478 96 A CA -0.608 51.392 52.037 -0.060 0.000 1.099 96 A CB -0.074 18.873 19.000 -0.089 0.000 1.148 96 A HN 0.407 nan 8.150 nan 0.000 0.519 97 V N -0.419 119.489 119.914 -0.011 0.000 3.661 97 V HA 0.263 4.386 4.120 0.006 0.000 0.271 97 V C 0.531 176.708 176.094 0.138 0.000 1.315 97 V CA 1.211 63.492 62.300 -0.031 0.000 1.072 97 V CB -1.523 30.155 31.823 -0.241 0.000 0.830 97 V HN 0.951 nan 8.190 nan 0.000 0.443 98 H N -1.181 117.891 119.070 0.003 0.000 2.696 98 H HA 0.692 5.251 4.556 0.006 0.000 0.221 98 H C 0.302 175.740 175.328 0.183 0.000 1.399 98 H CA -0.271 55.799 56.048 0.036 0.000 1.408 98 H CB 0.400 30.070 29.762 -0.154 0.000 1.853 98 H HN 0.679 nan 8.280 nan 0.000 0.546 99 G N 1.517 110.470 108.800 0.254 0.000 2.685 99 G HA2 -0.280 3.684 3.960 0.006 0.000 0.387 99 G HA3 -0.280 3.684 3.960 0.006 0.000 0.387 99 G C -0.535 174.391 174.900 0.042 0.000 1.324 99 G CA -0.440 44.803 45.100 0.238 0.000 0.878 99 G HN 0.639 nan 8.290 nan 0.000 0.527 100 Q N 0.764 120.555 119.800 -0.014 0.000 3.026 100 Q HA 0.322 4.665 4.340 0.006 0.000 0.258 100 Q C 1.584 177.539 176.000 -0.076 0.000 1.388 100 Q CA 0.891 56.646 55.803 -0.079 0.000 1.000 100 Q CB -0.858 27.799 28.738 -0.134 0.000 1.634 100 Q HN 0.694 nan 8.270 nan 0.000 0.571 101 N N 0.369 119.069 118.700 0.001 0.000 2.459 101 N HA -0.119 4.624 4.740 0.006 0.000 0.181 101 N C 0.494 176.083 175.510 0.131 0.000 1.046 101 N CA 1.059 54.134 53.050 0.041 0.000 0.904 101 N CB -0.012 38.575 38.487 0.168 0.000 0.964 101 N HN 0.416 nan 8.380 nan 0.000 0.444 102 N N -0.635 118.149 118.700 0.141 0.000 2.459 102 N HA 0.032 4.775 4.740 0.006 0.000 0.181 102 N C -0.719 174.913 175.510 0.203 0.000 1.046 102 N CA 0.264 53.446 53.050 0.219 0.000 0.904 102 N CB 0.346 38.994 38.487 0.268 0.000 0.964 102 N HN 0.031 nan 8.380 nan 0.000 0.444 103 V N 1.453 121.392 119.914 0.042 0.000 2.407 103 V HA 0.066 4.190 4.120 0.006 0.000 0.278 103 V C -0.368 175.801 176.094 0.125 0.000 1.037 103 V CA -0.842 61.490 62.300 0.052 0.000 0.900 103 V CB 0.444 32.097 31.823 -0.283 0.000 0.983 103 V HN 0.160 nan 8.190 nan 0.000 0.459 104 Y N 4.200 124.585 120.300 0.142 0.000 2.717 104 Y HA 0.376 4.930 4.550 0.005 0.000 0.330 104 Y C 1.335 177.262 175.900 0.046 0.000 1.217 104 Y CA 1.356 59.512 58.100 0.092 0.000 1.506 104 Y CB 0.476 39.005 38.460 0.116 0.000 1.268 104 Y HN 0.964 nan 8.280 nan 0.000 0.561 105 G N 3.171 111.560 108.800 -0.684 0.000 2.179 105 G HA2 -0.248 3.716 3.960 0.006 0.000 0.260 105 G HA3 -0.248 3.716 3.960 0.006 0.000 0.260 105 G C 0.204 174.961 174.900 -0.239 0.000 0.977 105 G CA 0.027 44.838 45.100 -0.483 0.000 0.641 105 G HN 1.283 nan 8.290 nan 0.000 0.533 106 A N 0.453 123.161 122.820 -0.187 0.000 2.425 106 A HA 0.645 4.968 4.320 0.006 0.000 0.249 106 A C 0.899 178.363 177.584 -0.200 0.000 1.084 106 A CA 0.954 52.901 52.037 -0.150 0.000 0.781 106 A CB 0.263 19.185 19.000 -0.130 0.000 1.019 106 A HN 0.860 nan 8.150 nan 0.000 0.490 107 T N 3.391 117.824 114.554 -0.202 0.000 2.867 107 T HA 0.243 4.596 4.350 0.006 0.000 0.297 107 T C 0.212 174.628 174.700 -0.474 0.000 0.989 107 T CA 0.522 62.405 62.100 -0.362 0.000 1.159 107 T CB -0.215 68.390 68.868 -0.439 0.000 0.928 107 T HN 0.333 nan 8.240 nan 0.000 0.538 108 I N 4.612 124.882 120.570 -0.500 0.000 2.328 108 I HA 0.345 4.519 4.170 0.006 0.000 0.287 108 I C 0.033 175.855 176.117 -0.492 0.000 1.012 108 I CA -0.772 60.225 61.300 -0.505 0.000 1.195 108 I CB 0.282 38.023 38.000 -0.432 0.000 1.350 108 I HN 0.523 nan 8.210 nan 0.000 0.464 109 F N 6.880 126.692 119.950 -0.230 0.000 2.378 109 F HA 0.394 4.924 4.527 0.005 0.000 0.319 109 F C -1.696 174.092 175.800 -0.021 0.000 1.155 109 F CA -1.912 56.032 58.000 -0.092 0.000 1.157 109 F CB 0.043 39.009 39.000 -0.057 0.000 1.252 109 F HN 0.272 nan 8.300 nan 0.000 0.550 110 P HA -0.021 nan 4.420 nan 0.000 0.267 110 P C -0.424 176.996 177.300 0.199 0.000 1.200 110 P CA 0.272 63.490 63.100 0.197 0.000 0.772 110 P CB 0.295 32.114 31.700 0.197 0.000 0.855 111 H N 1.999 121.193 119.070 0.207 0.000 2.745 111 H HA 0.056 4.615 4.556 0.006 0.000 0.373 111 H C 1.459 176.818 175.328 0.052 0.000 1.226 111 H CA 0.341 56.452 56.048 0.106 0.000 1.435 111 H CB 0.458 30.263 29.762 0.073 0.000 1.461 111 H HN 0.396 nan 8.280 nan 0.000 0.616 112 N N 0.688 119.460 118.700 0.120 0.000 2.094 112 N HA -0.179 4.564 4.740 0.006 0.000 0.191 112 N C 2.021 177.493 175.510 -0.064 0.000 1.023 112 N CA 0.990 53.967 53.050 -0.121 0.000 0.857 112 N CB -0.489 37.634 38.487 -0.607 0.000 1.013 112 N HN 0.368 nan 8.380 nan 0.000 0.426 113 V N 0.756 120.608 119.914 -0.104 0.000 2.332 113 V HA -0.167 3.956 4.120 0.006 0.000 0.248 113 V C 2.056 177.844 176.094 -0.510 0.000 1.055 113 V CA 2.439 64.565 62.300 -0.289 0.000 1.038 113 V CB -1.035 30.590 31.823 -0.329 0.000 0.651 113 V HN 0.385 nan 8.190 nan 0.000 0.450 114 G N -0.529 108.053 108.800 -0.363 0.000 2.418 114 G HA2 -0.201 3.762 3.960 0.006 0.000 0.217 114 G HA3 -0.201 3.762 3.960 0.006 0.000 0.217 114 G C 1.540 176.409 174.900 -0.051 0.000 1.158 114 G CA 1.104 46.040 45.100 -0.273 0.000 0.771 114 G HN 0.539 nan 8.290 nan 0.000 0.545 115 L N 0.827 122.079 121.223 0.049 0.000 2.083 115 L HA -0.021 4.322 4.340 0.006 0.000 0.209 115 L C 3.152 180.067 176.870 0.075 0.000 1.083 115 L CA 0.999 55.903 54.840 0.105 0.000 0.752 115 L CB -0.729 41.456 42.059 0.209 0.000 0.899 115 L HN 0.327 nan 8.230 nan 0.000 0.433 116 G N -0.267 108.585 108.800 0.088 0.000 2.422 116 G HA2 -0.241 3.723 3.960 0.006 0.000 0.218 116 G HA3 -0.241 3.723 3.960 0.006 0.000 0.218 116 G C 1.746 176.640 174.900 -0.010 0.000 1.146 116 G CA 0.758 45.882 45.100 0.041 0.000 0.769 116 G HN 0.474 nan 8.290 nan 0.000 0.547 117 A N 0.739 123.527 122.820 -0.052 0.000 2.070 117 A HA 0.004 4.327 4.320 0.006 0.000 0.220 117 A C 2.580 180.217 177.584 0.087 0.000 1.159 117 A CA 2.417 54.481 52.037 0.046 0.000 0.656 117 A CB -0.819 18.262 19.000 0.135 0.000 0.800 117 A HN 0.538 nan 8.150 nan 0.000 0.453 118 T N -4.040 110.550 114.554 0.059 0.000 3.023 118 T HA -0.055 4.298 4.350 0.006 0.000 0.266 118 T C 0.945 175.665 174.700 0.033 0.000 1.093 118 T CA 0.601 62.733 62.100 0.053 0.000 1.129 118 T CB -0.235 68.654 68.868 0.035 0.000 0.899 118 T HN 0.436 nan 8.240 nan 0.000 0.491 119 R N 1.409 121.919 120.500 0.016 0.000 3.502 119 R HA -0.137 4.206 4.340 0.006 0.000 0.266 119 R C -0.778 175.518 176.300 -0.007 0.000 1.077 119 R CA 1.015 57.115 56.100 0.000 0.000 0.718 119 R CB -2.626 27.685 30.300 0.018 0.000 1.120 119 R HN 0.612 nan 8.270 nan 0.000 0.457 120 D N -0.439 119.951 120.400 -0.017 0.000 2.404 120 D HA 0.305 4.948 4.640 0.006 0.000 0.267 120 D C -1.699 174.583 176.300 -0.029 0.000 1.194 120 D CA -2.313 51.684 54.000 -0.005 0.000 0.910 120 D CB 1.177 41.982 40.800 0.007 0.000 1.090 120 D HN -0.069 nan 8.370 nan 0.000 0.511 121 P HA -0.148 nan 4.420 nan 0.000 0.218 121 P C 1.147 178.447 177.300 0.001 0.000 1.148 121 P CA 0.689 63.755 63.100 -0.058 0.000 0.822 121 P CB 0.099 31.769 31.700 -0.051 0.000 0.784 122 Y N 0.524 120.778 120.300 -0.077 0.000 2.242 122 Y HA -0.125 4.428 4.550 0.005 0.000 0.291 122 Y C 2.093 177.952 175.900 -0.069 0.000 1.137 122 Y CA 0.822 58.882 58.100 -0.067 0.000 1.181 122 Y CB -1.116 37.315 38.460 -0.049 0.000 0.989 122 Y HN -0.215 nan 8.280 nan 0.000 0.527 123 L N -0.519 120.609 121.223 -0.158 0.000 2.013 123 L HA -0.192 4.151 4.340 0.006 0.000 0.212 123 L C 2.222 178.946 176.870 -0.243 0.000 1.073 123 L CA 1.963 56.670 54.840 -0.222 0.000 0.753 123 L CB -1.046 40.954 42.059 -0.098 0.000 0.890 123 L HN 0.089 nan 8.230 nan 0.000 0.432 124 V N -0.174 119.631 119.914 -0.182 0.000 2.407 124 V HA -0.292 3.831 4.120 0.006 0.000 0.248 124 V C 2.648 178.612 176.094 -0.216 0.000 1.055 124 V CA 2.045 64.234 62.300 -0.186 0.000 1.049 124 V CB -0.797 30.923 31.823 -0.173 0.000 0.662 124 V HN 0.536 nan 8.190 nan 0.000 0.455 125 K N 0.230 120.509 120.400 -0.201 0.000 2.032 125 K HA -0.211 4.112 4.320 0.006 0.000 0.209 125 K C 2.417 178.862 176.600 -0.258 0.000 1.048 125 K CA 1.641 57.821 56.287 -0.179 0.000 0.927 125 K CB -0.138 32.319 32.500 -0.073 0.000 0.712 125 K HN 0.351 nan 8.250 nan 0.000 0.441 126 R N 0.294 120.557 120.500 -0.395 0.000 2.096 126 R HA -0.084 4.259 4.340 0.006 0.000 0.235 126 R C 2.371 178.465 176.300 -0.343 0.000 1.127 126 R CA 1.507 57.383 56.100 -0.375 0.000 0.968 126 R CB -0.319 29.707 30.300 -0.458 0.000 0.861 126 R HN 0.292 nan 8.270 nan 0.000 0.440 127 I N -0.074 120.247 120.570 -0.416 0.000 2.226 127 I HA -0.193 3.980 4.170 0.006 0.000 0.245 127 I C 2.566 178.348 176.117 -0.559 0.000 1.100 127 I CA 1.462 62.348 61.300 -0.690 0.000 1.374 127 I CB -0.705 36.836 38.000 -0.765 0.000 1.057 127 I HN 0.306 nan 8.210 nan 0.000 0.413 128 G N 0.513 109.105 108.800 -0.347 0.000 2.440 128 G HA2 -0.254 3.709 3.960 0.006 0.000 0.218 128 G HA3 -0.254 3.709 3.960 0.006 0.000 0.218 128 G C 1.496 176.272 174.900 -0.207 0.000 1.154 128 G CA 0.790 45.749 45.100 -0.234 0.000 0.767 128 G HN 0.434 nan 8.290 nan 0.000 0.552 129 E N 0.555 120.633 120.200 -0.202 0.000 2.051 129 E HA -0.063 4.290 4.350 0.006 0.000 0.192 129 E C 2.943 179.420 176.600 -0.206 0.000 0.991 129 E CA 0.866 57.172 56.400 -0.158 0.000 0.799 129 E CB -0.218 29.406 29.700 -0.126 0.000 0.748 129 E HN 0.425 nan 8.360 nan 0.000 0.449 130 A N 0.914 123.548 122.820 -0.310 0.000 1.898 130 A HA -0.158 4.166 4.320 0.006 0.000 0.216 130 A C 2.390 179.773 177.584 -0.336 0.000 1.181 130 A CA 1.811 53.545 52.037 -0.504 0.000 0.620 130 A CB -0.840 17.879 19.000 -0.468 0.000 0.819 130 A HN 0.172 nan 8.150 nan 0.000 0.442 131 T N 0.458 114.863 114.554 -0.247 0.000 2.746 131 T HA -0.046 4.307 4.350 0.006 0.000 0.267 131 T C 2.238 176.873 174.700 -0.108 0.000 1.039 131 T CA 1.612 63.634 62.100 -0.130 0.000 1.142 131 T CB -0.516 68.254 68.868 -0.163 0.000 0.866 131 T HN 0.605 nan 8.240 nan 0.000 0.444 132 A N 1.329 124.079 122.820 -0.117 0.000 1.917 132 A HA -0.078 4.245 4.320 0.006 0.000 0.219 132 A C 2.314 179.864 177.584 -0.057 0.000 1.182 132 A CA 1.436 53.427 52.037 -0.076 0.000 0.633 132 A CB -0.936 18.025 19.000 -0.064 0.000 0.819 132 A HN 0.492 nan 8.150 nan 0.000 0.448 133 L N -0.847 120.337 121.223 -0.064 0.000 2.056 133 L HA -0.183 4.161 4.340 0.006 0.000 0.207 133 L C 2.616 179.492 176.870 0.010 0.000 1.078 133 L CA 1.592 56.428 54.840 -0.007 0.000 0.749 133 L CB -0.600 41.483 42.059 0.041 0.000 0.901 133 L HN 0.471 nan 8.230 nan 0.000 0.433 134 E N -0.404 119.792 120.200 -0.007 0.000 2.152 134 E HA -0.144 4.210 4.350 0.006 0.000 0.192 134 E C 2.286 178.848 176.600 -0.064 0.000 0.983 134 E CA 0.977 57.376 56.400 -0.001 0.000 0.818 134 E CB 0.010 29.724 29.700 0.022 0.000 0.758 134 E HN 0.310 nan 8.360 nan 0.000 0.467 135 V N 1.506 121.375 119.914 -0.075 0.000 2.307 135 V HA -0.202 3.921 4.120 0.006 0.000 0.245 135 V C 2.268 178.316 176.094 -0.077 0.000 1.045 135 V CA 1.430 63.668 62.300 -0.103 0.000 1.024 135 V CB -0.387 31.383 31.823 -0.088 0.000 0.651 135 V HN 0.166 nan 8.190 nan 0.000 0.449 136 R N 0.280 120.756 120.500 -0.040 0.000 2.152 136 R HA -0.027 4.317 4.340 0.006 0.000 0.232 136 R C 2.323 178.618 176.300 -0.009 0.000 1.117 136 R CA 1.302 57.392 56.100 -0.016 0.000 0.981 136 R CB -1.033 29.265 30.300 -0.003 0.000 0.870 136 R HN 0.542 nan 8.270 nan 0.000 0.451 137 A N 0.725 123.537 122.820 -0.013 0.000 2.024 137 A HA -0.145 4.178 4.320 0.006 0.000 0.220 137 A C 1.959 179.540 177.584 -0.006 0.000 1.164 137 A CA 2.056 54.092 52.037 -0.002 0.000 0.643 137 A CB -0.522 18.478 19.000 0.000 0.000 0.806 137 A HN 0.459 nan 8.150 nan 0.000 0.451 138 T N -5.082 109.440 114.554 -0.054 0.000 3.122 138 T HA 0.433 4.786 4.350 0.006 0.000 0.250 138 T C 1.276 175.989 174.700 0.022 0.000 1.067 138 T CA 0.976 63.051 62.100 -0.043 0.000 0.966 138 T CB 0.157 68.820 68.868 -0.341 0.000 1.002 138 T HN 1.674 nan 8.240 nan 0.000 0.542 139 G N 1.343 110.148 108.800 0.008 0.000 2.179 139 G HA2 -0.212 3.751 3.960 0.006 0.000 0.260 139 G HA3 -0.212 3.751 3.960 0.006 0.000 0.260 139 G C -0.009 174.890 174.900 -0.001 0.000 0.977 139 G CA 0.090 45.203 45.100 0.020 0.000 0.641 139 G HN 0.651 nan 8.290 nan 0.000 0.533 140 I N 0.120 120.674 120.570 -0.026 0.000 2.440 140 I HA 0.388 4.561 4.170 0.006 0.000 0.294 140 I C 1.157 177.300 176.117 0.044 0.000 0.995 140 I CA -0.507 60.799 61.300 0.011 0.000 1.306 140 I CB 1.684 39.672 38.000 -0.020 0.000 1.407 140 I HN 0.063 nan 8.210 nan 0.000 0.501 141 Q N 4.522 124.387 119.800 0.108 0.000 2.217 141 Q HA 0.238 4.581 4.340 0.006 0.000 0.217 141 Q C -0.921 175.164 176.000 0.142 0.000 0.844 141 Q CA 0.130 55.987 55.803 0.090 0.000 0.957 141 Q CB 0.771 29.554 28.738 0.074 0.000 1.127 141 Q HN 0.611 nan 8.270 nan 0.000 0.503 142 Y N 0.052 120.320 120.300 -0.053 0.000 2.362 142 Y HA 0.653 5.207 4.550 0.006 0.000 0.326 142 Y C -1.732 174.005 175.900 -0.272 0.000 1.083 142 Y CA -1.441 56.586 58.100 -0.123 0.000 1.073 142 Y CB 1.100 39.512 38.460 -0.080 0.000 1.211 142 Y HN -0.048 nan 8.280 nan 0.000 0.433 143 A N 5.964 128.674 122.820 -0.184 0.000 2.318 143 A HA 0.542 4.865 4.320 0.006 0.000 0.324 143 A C -1.427 175.897 177.584 -0.433 0.000 1.170 143 A CA -0.644 51.167 52.037 -0.376 0.000 0.810 143 A CB 0.246 19.154 19.000 -0.155 0.000 1.198 143 A HN 0.817 nan 8.150 nan 0.000 0.484 144 F N 2.339 122.093 119.950 -0.326 0.000 2.659 144 F HA 0.447 4.978 4.527 0.006 0.000 0.360 144 F C 1.017 176.686 175.800 -0.217 0.000 1.218 144 F CA 0.679 58.505 58.000 -0.291 0.000 1.317 144 F CB 0.030 38.864 39.000 -0.277 0.000 1.697 144 F HN 0.702 nan 8.300 nan 0.000 0.637 145 A N 2.287 125.101 122.820 -0.011 0.000 2.604 145 A HA 0.711 5.035 4.320 0.006 0.000 0.295 145 A C -3.011 174.559 177.584 -0.024 0.000 1.067 145 A CA -1.593 50.412 52.037 -0.053 0.000 0.683 145 A CB 1.762 20.718 19.000 -0.074 0.000 1.281 145 A HN 0.046 nan 8.150 nan 0.000 0.407 146 P HA 0.357 nan 4.420 nan 0.000 0.286 146 P C -0.184 177.054 177.300 -0.104 0.000 1.261 146 P CA -0.442 62.635 63.100 -0.038 0.000 0.821 146 P CB 1.224 32.962 31.700 0.063 0.000 1.013 147 C N 5.082 124.285 119.300 -0.161 0.000 2.619 147 C HA 0.261 4.724 4.460 0.006 0.000 0.389 147 C C 1.649 176.567 174.990 -0.120 0.000 1.314 147 C CA -0.351 58.559 59.018 -0.179 0.000 1.678 147 C CB -2.521 25.111 27.740 -0.180 0.000 2.398 147 C HN 0.530 nan 8.230 nan 0.000 0.582 148 I N 4.161 124.683 120.570 -0.080 0.000 3.856 148 I HA 0.416 4.590 4.170 0.006 0.000 0.333 148 I C 0.986 177.127 176.117 0.040 0.000 1.525 148 I CA -0.359 60.919 61.300 -0.038 0.000 1.173 148 I CB -0.570 37.307 38.000 -0.205 0.000 1.175 148 I HN 0.610 nan 8.210 nan 0.000 0.424 149 A N 1.299 124.195 122.820 0.128 0.000 2.531 149 A HA 0.401 4.725 4.320 0.006 0.000 0.236 149 A C 0.242 177.947 177.584 0.202 0.000 1.062 149 A CA 0.110 52.293 52.037 0.243 0.000 0.760 149 A CB 0.310 19.577 19.000 0.445 0.000 0.995 149 A HN 0.304 nan 8.150 nan 0.000 0.501 150 V N 3.195 123.235 119.914 0.210 0.000 2.277 150 V HA 0.151 4.275 4.120 0.006 0.000 0.269 150 V C 0.353 176.543 176.094 0.159 0.000 1.036 150 V CA -0.696 61.688 62.300 0.139 0.000 0.821 150 V CB 0.445 32.279 31.823 0.017 0.000 1.052 150 V HN 0.989 nan 8.190 nan 0.000 0.462 151 c N 7.024 125.742 118.600 0.197 0.000 2.624 151 c HA 0.252 4.825 4.570 0.006 0.000 0.397 151 c C 1.712 175.881 174.090 0.132 0.000 1.331 151 c CA -0.271 56.192 56.329 0.223 0.000 1.716 151 c CB -0.653 42.081 42.510 0.374 0.000 2.452 151 c HN 0.875 nan 8.230 nan 0.000 0.586 152 R N 2.624 123.173 120.500 0.081 0.000 2.362 152 R HA 0.201 4.544 4.340 0.006 0.000 0.227 152 R C -0.327 176.009 176.300 0.060 0.000 0.905 152 R CA 0.231 56.370 56.100 0.065 0.000 1.067 152 R CB 0.111 30.449 30.300 0.064 0.000 1.078 152 R HN 0.779 nan 8.270 nan 0.000 0.516 153 D N -0.036 120.407 120.400 0.072 0.000 2.591 153 D HA 0.113 4.757 4.640 0.006 0.000 0.222 153 D C -2.219 174.154 176.300 0.122 0.000 1.360 153 D CA -1.528 52.508 54.000 0.061 0.000 0.967 153 D CB 2.230 43.032 40.800 0.004 0.000 1.456 153 D HN -0.174 nan 8.370 nan 0.000 0.588 154 P HA -0.011 nan 4.420 nan 0.000 0.234 154 P C 0.984 178.350 177.300 0.111 0.000 1.167 154 P CA 0.219 63.407 63.100 0.147 0.000 0.763 154 P CB 0.353 32.158 31.700 0.174 0.000 0.835 155 R N -1.913 118.620 120.500 0.055 0.000 2.285 155 R HA -0.074 4.270 4.340 0.006 0.000 0.213 155 R C 0.785 177.148 176.300 0.105 0.000 1.068 155 R CA 0.156 56.270 56.100 0.023 0.000 1.004 155 R CB -0.384 29.897 30.300 -0.032 0.000 0.873 155 R HN 0.241 nan 8.270 nan 0.000 0.467 156 W N 1.056 122.327 121.300 -0.048 0.000 2.253 156 W HA 0.111 4.774 4.660 0.005 0.000 0.322 156 W C 1.176 177.672 176.519 -0.037 0.000 1.342 156 W CA -0.821 56.499 57.345 -0.042 0.000 1.218 156 W CB 0.530 29.978 29.460 -0.020 0.000 1.205 156 W HN 0.042 nan 8.180 nan 0.000 0.551 157 G N 4.731 113.430 108.800 -0.170 0.000 2.625 157 G HA2 -0.192 3.771 3.960 0.006 0.000 0.214 157 G HA3 -0.192 3.771 3.960 0.006 0.000 0.214 157 G C 1.111 175.751 174.900 -0.434 0.000 1.132 157 G CA 0.276 45.215 45.100 -0.268 0.000 0.782 157 G HN 0.558 nan 8.290 nan 0.000 0.538 158 R N -0.932 118.859 120.500 -1.181 0.000 2.509 158 R HA 0.204 4.547 4.340 0.006 0.000 0.300 158 R C 1.484 177.119 176.300 -1.108 0.000 0.985 158 R CA -0.302 54.934 56.100 -1.440 0.000 1.092 158 R CB -0.426 28.736 30.300 -1.896 0.000 1.237 158 R HN 0.253 nan 8.270 nan 0.000 0.546 159 c N 1.490 119.815 118.600 -0.458 0.000 2.411 159 c HA -0.185 4.388 4.570 0.006 0.000 0.279 159 c C 2.499 176.532 174.090 -0.094 0.000 1.288 159 c CA 1.108 57.420 56.329 -0.028 0.000 1.764 159 c CB -0.788 41.820 42.510 0.164 0.000 1.974 159 c HN 0.685 nan 8.230 nan 0.000 0.498 160 Y N 0.784 121.005 120.300 -0.130 0.000 2.421 160 Y HA 0.038 4.592 4.550 0.005 0.000 0.292 160 Y C 1.901 177.655 175.900 -0.243 0.000 1.136 160 Y CA 1.447 59.443 58.100 -0.174 0.000 1.255 160 Y CB -1.186 37.139 38.460 -0.224 0.000 0.991 160 Y HN 0.364 nan 8.280 nan 0.000 0.552 161 E N 0.551 120.388 120.200 -0.605 0.000 2.502 161 E HA 0.009 4.362 4.350 0.006 0.000 0.194 161 E C 0.240 176.633 176.600 -0.346 0.000 1.062 161 E CA 0.390 56.516 56.400 -0.456 0.000 0.867 161 E CB 0.158 29.539 29.700 -0.532 0.000 0.888 161 E HN 0.291 nan 8.360 nan 0.000 0.510 162 S N -0.548 115.012 115.700 -0.234 0.000 2.462 162 S HA 0.161 4.634 4.470 0.006 0.000 0.294 162 S C 0.543 175.045 174.600 -0.162 0.000 1.144 162 S CA -0.639 57.480 58.200 -0.135 0.000 1.088 162 S CB 0.480 63.735 63.200 0.091 0.000 1.009 162 S HN 0.108 nan 8.310 nan 0.000 0.484 163 Y N 3.301 123.587 120.300 -0.023 0.000 2.333 163 Y HA 0.090 4.643 4.550 0.006 0.000 0.290 163 Y C 1.555 177.414 175.900 -0.068 0.000 1.144 163 Y CA 0.887 58.954 58.100 -0.056 0.000 1.228 163 Y CB 0.211 38.641 38.460 -0.050 0.000 0.985 163 Y HN 0.618 nan 8.280 nan 0.000 0.542 164 S N -1.576 114.189 115.700 0.108 0.000 2.622 164 S HA 0.072 4.545 4.470 0.006 0.000 0.275 164 S C 0.120 174.761 174.600 0.069 0.000 1.112 164 S CA -0.452 57.787 58.200 0.065 0.000 0.837 164 S CB 0.533 63.772 63.200 0.065 0.000 1.082 164 S HN 0.394 nan 8.310 nan 0.000 0.456 165 E N 0.958 121.196 120.200 0.062 0.000 2.427 165 E HA -0.006 4.347 4.350 0.006 0.000 0.196 165 E C -0.088 176.524 176.600 0.019 0.000 1.028 165 E CA 0.356 56.789 56.400 0.055 0.000 0.864 165 E CB 0.006 29.752 29.700 0.076 0.000 0.813 165 E HN 0.385 nan 8.360 nan 0.000 0.514 166 D N 1.169 121.582 120.400 0.022 0.000 2.359 166 D HA 0.048 4.692 4.640 0.006 0.000 0.230 166 D C 0.945 177.241 176.300 -0.006 0.000 1.118 166 D CA -0.584 53.416 54.000 -0.001 0.000 0.844 166 D CB 1.111 41.917 40.800 0.010 0.000 1.059 166 D HN 0.124 nan 8.370 nan 0.000 0.493 167 R N 3.664 124.144 120.500 -0.032 0.000 2.170 167 R HA -0.130 4.213 4.340 0.006 0.000 0.242 167 R C 1.612 177.899 176.300 -0.022 0.000 1.145 167 R CA 1.254 57.336 56.100 -0.031 0.000 0.984 167 R CB -0.397 29.866 30.300 -0.061 0.000 0.869 167 R HN 0.289 nan 8.270 nan 0.000 0.455 168 R N 0.428 120.914 120.500 -0.022 0.000 2.081 168 R HA 0.026 4.369 4.340 0.006 0.000 0.235 168 R C 2.287 178.569 176.300 -0.030 0.000 1.131 168 R CA 1.864 57.950 56.100 -0.023 0.000 0.960 168 R CB -0.470 29.819 30.300 -0.018 0.000 0.856 168 R HN 0.283 nan 8.270 nan 0.000 0.436 169 I N 0.054 120.612 120.570 -0.020 0.000 2.202 169 I HA -0.245 3.928 4.170 0.006 0.000 0.242 169 I C 2.199 178.278 176.117 -0.064 0.000 1.091 169 I CA 1.020 62.300 61.300 -0.033 0.000 1.368 169 I CB -0.257 37.742 38.000 -0.002 0.000 1.058 169 I HN -0.040 nan 8.210 nan 0.000 0.410 170 V N 0.520 120.432 119.914 -0.004 0.000 2.282 170 V HA -0.348 3.775 4.120 0.006 0.000 0.249 170 V C 2.452 178.503 176.094 -0.071 0.000 1.057 170 V CA 1.960 64.276 62.300 0.027 0.000 1.032 170 V CB -0.859 31.021 31.823 0.096 0.000 0.645 170 V HN 0.482 nan 8.190 nan 0.000 0.447 171 Q N 0.341 120.105 119.800 -0.059 0.000 2.096 171 Q HA -0.217 4.127 4.340 0.006 0.000 0.204 171 Q C 2.523 178.461 176.000 -0.103 0.000 0.982 171 Q CA 2.168 57.929 55.803 -0.069 0.000 0.850 171 Q CB -0.351 28.362 28.738 -0.042 0.000 0.901 171 Q HN 0.833 nan 8.270 nan 0.000 0.422 172 S N 0.036 115.667 115.700 -0.115 0.000 2.399 172 S HA -0.106 4.368 4.470 0.006 0.000 0.231 172 S C 1.782 176.261 174.600 -0.202 0.000 1.022 172 S CA 0.904 59.028 58.200 -0.127 0.000 0.983 172 S CB -0.056 63.082 63.200 -0.104 0.000 0.803 172 S HN 0.208 nan 8.310 nan 0.000 0.480 173 M N 2.776 122.170 119.600 -0.343 0.000 2.618 173 M HA 0.091 4.575 4.480 0.006 0.000 0.240 173 M C 1.916 177.962 176.300 -0.423 0.000 1.123 173 M CA 1.078 56.026 55.300 -0.586 0.000 1.060 173 M CB -1.764 29.977 32.600 -1.431 0.000 1.535 173 M HN 0.699 nan 8.290 nan 0.000 0.507 174 T N -2.377 112.035 114.554 -0.236 0.000 3.077 174 T HA -0.067 4.286 4.350 0.006 0.000 0.269 174 T C 1.364 175.998 174.700 -0.109 0.000 1.146 174 T CA 0.684 62.704 62.100 -0.133 0.000 1.091 174 T CB -0.213 68.595 68.868 -0.098 0.000 0.892 174 T HN 0.244 nan 8.240 nan 0.000 0.533 175 E N 0.790 120.914 120.200 -0.127 0.000 2.331 175 E HA -0.057 4.296 4.350 0.006 0.000 0.199 175 E C 1.867 178.412 176.600 -0.091 0.000 1.008 175 E CA 0.377 56.722 56.400 -0.092 0.000 0.843 175 E CB -0.413 29.241 29.700 -0.076 0.000 0.761 175 E HN 0.496 nan 8.360 nan 0.000 0.507 176 L N 0.704 121.864 121.223 -0.105 0.000 2.079 176 L HA -0.191 4.152 4.340 0.006 0.000 0.210 176 L C 2.084 178.918 176.870 -0.061 0.000 1.081 176 L CA 1.297 56.088 54.840 -0.082 0.000 0.752 176 L CB -0.251 41.791 42.059 -0.028 0.000 0.896 176 L HN 0.059 nan 8.230 nan 0.000 0.433 177 I N 0.243 120.786 120.570 -0.046 0.000 2.099 177 I HA -0.204 3.970 4.170 0.006 0.000 0.239 177 I C -0.396 175.711 176.117 -0.016 0.000 1.066 177 I CA 1.532 62.817 61.300 -0.024 0.000 1.324 177 I CB -1.722 36.267 38.000 -0.019 0.000 1.037 177 I HN 0.269 nan 8.210 nan 0.000 0.401 178 P HA -0.105 nan 4.420 nan 0.000 0.222 178 P C 1.528 178.821 177.300 -0.012 0.000 1.147 178 P CA 1.691 64.780 63.100 -0.019 0.000 0.790 178 P CB -0.231 31.438 31.700 -0.051 0.000 0.780 179 G N 0.844 109.620 108.800 -0.041 0.000 2.414 179 G HA2 -0.195 3.769 3.960 0.006 0.000 0.215 179 G HA3 -0.195 3.769 3.960 0.006 0.000 0.215 179 G C 1.646 176.511 174.900 -0.058 0.000 1.188 179 G CA 0.466 45.528 45.100 -0.064 0.000 0.783 179 G HN 0.217 nan 8.290 nan 0.000 0.537 180 L N -0.305 120.885 121.223 -0.055 0.000 2.046 180 L HA -0.092 4.252 4.340 0.006 0.000 0.208 180 L C 3.049 179.909 176.870 -0.016 0.000 1.077 180 L CA 1.348 56.161 54.840 -0.045 0.000 0.747 180 L CB -0.246 41.792 42.059 -0.036 0.000 0.896 180 L HN 0.285 nan 8.230 nan 0.000 0.432 181 Q N -0.907 118.901 119.800 0.014 0.000 2.392 181 Q HA 0.250 4.593 4.340 0.006 0.000 0.219 181 Q C 0.588 176.645 176.000 0.095 0.000 0.895 181 Q CA 0.425 56.251 55.803 0.038 0.000 0.929 181 Q CB 1.039 29.831 28.738 0.090 0.000 1.077 181 Q HN 0.477 nan 8.270 nan 0.000 0.532 182 G N 1.682 110.552 108.800 0.117 0.000 2.675 182 G HA2 -0.138 3.825 3.960 0.006 0.000 0.686 182 G HA3 -0.138 3.825 3.960 0.006 0.000 0.686 182 G C -1.379 173.634 174.900 0.188 0.000 1.215 182 G CA -0.883 44.331 45.100 0.190 0.000 0.777 182 G HN 0.056 nan 8.290 nan 0.000 0.638 183 D N 0.274 120.702 120.400 0.047 0.000 2.424 183 D HA 0.346 4.989 4.640 0.006 0.000 0.244 183 D C 1.463 177.478 176.300 -0.476 0.000 1.134 183 D CA 0.623 54.535 54.000 -0.146 0.000 0.881 183 D CB 1.566 42.304 40.800 -0.104 0.000 1.191 183 D HN 1.092 nan 8.370 nan 0.000 0.445 184 V N 1.063 120.509 119.914 -0.781 0.000 2.963 184 V HA 0.303 4.427 4.120 0.006 0.000 0.306 184 V C -2.006 173.668 176.094 -0.699 0.000 1.077 184 V CA -1.241 60.259 62.300 -1.333 0.000 1.124 184 V CB 0.194 31.051 31.823 -1.610 0.000 0.987 184 V HN 0.414 nan 8.190 nan 0.000 0.487 185 P HA 0.214 nan 4.420 nan 0.000 0.272 185 P C 0.543 177.805 177.300 -0.064 0.000 1.240 185 P CA -0.515 62.485 63.100 -0.167 0.000 0.791 185 P CB 0.547 32.233 31.700 -0.024 0.000 0.978 186 K N 1.180 121.563 120.400 -0.029 0.000 2.152 186 K HA -0.140 4.184 4.320 0.006 0.000 0.206 186 K C 0.541 177.161 176.600 0.033 0.000 1.048 186 K CA 1.568 57.852 56.287 -0.005 0.000 0.933 186 K CB -0.892 31.603 32.500 -0.007 0.000 0.721 186 K HN 0.539 nan 8.250 nan 0.000 0.447 187 D N 0.346 120.776 120.400 0.051 0.000 2.690 187 D HA 0.028 4.672 4.640 0.006 0.000 0.236 187 D C -0.564 175.782 176.300 0.076 0.000 1.218 187 D CA -0.487 53.542 54.000 0.048 0.000 0.829 187 D CB -0.665 40.154 40.800 0.032 0.000 1.009 187 D HN -0.005 nan 8.370 nan 0.000 0.482 188 F N 1.585 121.497 119.950 -0.063 0.000 2.404 188 F HA 0.241 4.770 4.527 0.005 0.000 0.345 188 F C 0.249 176.024 175.800 -0.041 0.000 1.110 188 F CA -0.407 57.553 58.000 -0.066 0.000 1.130 188 F CB 1.504 40.432 39.000 -0.120 0.000 1.129 188 F HN -0.307 nan 8.300 nan 0.000 0.500 189 T N 4.728 118.853 114.554 -0.715 0.000 2.728 189 T HA 0.111 4.465 4.350 0.006 0.000 0.296 189 T C -0.011 174.415 174.700 -0.457 0.000 0.940 189 T CA -0.331 61.495 62.100 -0.456 0.000 1.013 189 T CB 0.782 69.427 68.868 -0.372 0.000 0.912 189 T HN 0.663 nan 8.240 nan 0.000 0.484 190 S N 2.728 118.370 115.700 -0.096 0.000 2.563 190 S HA 0.344 4.817 4.470 0.006 0.000 0.294 190 S C 1.606 176.220 174.600 0.024 0.000 1.279 190 S CA 1.055 59.290 58.200 0.059 0.000 1.069 190 S CB -0.417 62.823 63.200 0.066 0.000 0.828 190 S HN 1.185 nan 8.310 nan 0.000 0.497 191 G N 4.259 113.144 108.800 0.143 0.000 2.234 191 G HA2 -0.197 3.766 3.960 0.006 0.000 0.235 191 G HA3 -0.197 3.766 3.960 0.006 0.000 0.235 191 G C 0.228 175.189 174.900 0.102 0.000 0.997 191 G CA 0.135 45.337 45.100 0.170 0.000 0.623 191 G HN 0.628 nan 8.290 nan 0.000 0.514 192 M N 2.403 121.991 119.600 -0.020 0.000 2.243 192 M HA 0.322 4.806 4.480 0.006 0.000 0.341 192 M C -1.889 174.580 176.300 0.281 0.000 1.130 192 M CA -2.203 53.075 55.300 -0.037 0.000 1.162 192 M CB 0.145 32.534 32.600 -0.351 0.000 1.497 192 M HN 0.127 nan 8.290 nan 0.000 0.456 193 P HA 0.386 nan 4.420 nan 0.000 0.277 193 P C -1.343 176.201 177.300 0.407 0.000 1.240 193 P CA -0.215 63.032 63.100 0.245 0.000 0.798 193 P CB 0.916 32.656 31.700 0.066 0.000 0.979 194 F N 1.732 121.768 119.950 0.144 0.000 2.596 194 F HA 0.492 5.022 4.527 0.004 0.000 0.311 194 F C -1.835 173.975 175.800 0.017 0.000 1.116 194 F CA -0.608 57.441 58.000 0.082 0.000 0.957 194 F CB 1.667 40.628 39.000 -0.066 0.000 1.250 194 F HN 0.046 nan 8.300 nan 0.000 0.444 195 V N 5.725 125.150 119.914 -0.815 0.000 2.733 195 V HA 0.507 4.631 4.120 0.006 0.000 0.306 195 V C 0.455 175.955 176.094 -0.990 0.000 1.084 195 V CA -0.189 61.705 62.300 -0.678 0.000 0.905 195 V CB 1.323 32.983 31.823 -0.273 0.000 1.010 195 V HN 1.001 nan 8.190 nan 0.000 0.424 196 A N 2.873 125.273 122.820 -0.700 0.000 2.015 196 A HA 0.533 4.857 4.320 0.006 0.000 0.219 196 A C 1.226 178.694 177.584 -0.193 0.000 1.163 196 A CA 1.734 53.541 52.037 -0.383 0.000 0.646 196 A CB -0.278 18.727 19.000 0.009 0.000 0.806 196 A HN 1.899 nan 8.150 nan 0.000 0.448 197 G N -1.178 107.528 108.800 -0.156 0.000 2.356 197 G HA2 0.174 4.137 3.960 0.006 0.000 0.266 197 G HA3 0.174 4.137 3.960 0.006 0.000 0.266 197 G C 0.332 175.207 174.900 -0.042 0.000 1.312 197 G CA 0.058 45.116 45.100 -0.070 0.000 0.922 197 G HN 0.437 nan 8.290 nan 0.000 0.480 198 K N -0.378 120.015 120.400 -0.011 0.000 2.439 198 K HA 0.105 4.428 4.320 0.006 0.000 0.197 198 K C 1.071 177.673 176.600 0.002 0.000 1.041 198 K CA 1.581 57.868 56.287 0.000 0.000 0.970 198 K CB -0.095 32.415 32.500 0.017 0.000 0.773 198 K HN 0.309 nan 8.250 nan 0.000 0.479 199 N N 0.112 118.812 118.700 -0.000 0.000 2.230 199 N HA 0.060 4.804 4.740 0.006 0.000 0.202 199 N C -0.597 174.908 175.510 -0.008 0.000 1.119 199 N CA -0.117 52.935 53.050 0.003 0.000 0.851 199 N CB 0.461 38.956 38.487 0.013 0.000 0.990 199 N HN 0.016 nan 8.380 nan 0.000 0.497 200 K N 0.644 121.033 120.400 -0.020 0.000 2.346 200 K HA 0.552 4.875 4.320 0.006 0.000 0.238 200 K C -0.601 175.982 176.600 -0.029 0.000 1.039 200 K CA -0.823 55.447 56.287 -0.028 0.000 0.861 200 K CB 2.147 34.624 32.500 -0.038 0.000 1.278 200 K HN -0.161 nan 8.250 nan 0.000 0.460 201 V N -2.358 117.543 119.914 -0.023 0.000 2.914 201 V HA 0.785 4.909 4.120 0.006 0.000 0.314 201 V C -0.192 175.907 176.094 0.009 0.000 1.084 201 V CA -1.333 60.967 62.300 -0.000 0.000 0.963 201 V CB 1.545 33.374 31.823 0.010 0.000 1.025 201 V HN 0.794 nan 8.190 nan 0.000 0.432 202 A N 2.235 125.072 122.820 0.028 0.000 2.511 202 A HA 0.775 5.098 4.320 0.006 0.000 0.242 202 A C 0.581 178.257 177.584 0.154 0.000 1.069 202 A CA 0.452 52.501 52.037 0.021 0.000 0.763 202 A CB -0.044 18.872 19.000 -0.139 0.000 1.001 202 A HN 2.199 nan 8.150 nan 0.000 0.498 203 A N 0.796 123.680 122.820 0.108 0.000 2.282 203 A HA 0.680 5.003 4.320 0.006 0.000 0.324 203 A C -0.246 177.450 177.584 0.187 0.000 1.119 203 A CA -0.121 51.991 52.037 0.126 0.000 0.880 203 A CB 0.933 19.965 19.000 0.053 0.000 1.294 203 A HN 1.885 nan 8.150 nan 0.000 0.493 204 C N 0.632 120.020 119.300 0.146 0.000 2.679 204 C HA 0.677 5.140 4.460 0.006 0.000 0.354 204 C C 0.226 175.241 174.990 0.042 0.000 1.067 204 C CA -0.086 59.025 59.018 0.155 0.000 1.317 204 C CB -0.516 27.397 27.740 0.289 0.000 1.843 204 C HN 1.294 nan 8.230 nan 0.000 0.459 205 A N 6.345 129.170 122.820 0.008 0.000 2.404 205 A HA 0.653 4.977 4.320 0.006 0.000 0.273 205 A C -0.092 177.524 177.584 0.053 0.000 1.144 205 A CA 0.071 52.081 52.037 -0.045 0.000 0.806 205 A CB 0.165 19.095 19.000 -0.116 0.000 1.080 205 A HN 0.966 nan 8.150 nan 0.000 0.509 206 K N 2.408 122.778 120.400 -0.050 0.000 2.512 206 K HA 0.639 4.962 4.320 0.006 0.000 0.263 206 K C -1.659 174.876 176.600 -0.108 0.000 0.966 206 K CA -0.925 55.288 56.287 -0.123 0.000 0.851 206 K CB 1.213 33.403 32.500 -0.517 0.000 1.395 206 K HN 0.667 nan 8.250 nan 0.000 0.440 207 H N 0.827 120.050 119.070 0.256 0.000 2.481 207 H HA 0.312 4.872 4.556 0.006 0.000 0.333 207 H C -1.467 173.998 175.328 0.228 0.000 1.066 207 H CA -0.590 55.589 56.048 0.217 0.000 1.209 207 H CB 1.007 30.856 29.762 0.144 0.000 1.445 207 H HN 0.493 nan 8.280 nan 0.000 0.488 208 F N 4.229 124.221 119.950 0.070 0.000 2.472 208 F HA 0.392 4.923 4.527 0.006 0.000 0.364 208 F C -0.466 175.224 175.800 -0.183 0.000 1.090 208 F CA -0.145 57.701 58.000 -0.257 0.000 1.188 208 F CB 0.188 38.923 39.000 -0.441 0.000 1.105 208 F HN 0.353 nan 8.300 nan 0.000 0.536 209 V N 5.789 125.293 119.914 -0.684 0.000 3.049 209 V HA 0.707 4.830 4.120 0.006 0.000 0.309 209 V C 0.108 175.916 176.094 -0.478 0.000 1.148 209 V CA -0.005 61.832 62.300 -0.772 0.000 0.990 209 V CB 1.680 32.591 31.823 -1.519 0.000 1.039 209 V HN 1.140 nan 8.190 nan 0.000 0.430 210 G N 3.994 112.580 108.800 -0.357 0.000 2.147 210 G HA2 -0.220 3.744 3.960 0.006 0.000 0.244 210 G HA3 -0.220 3.744 3.960 0.006 0.000 0.244 210 G C 0.316 174.937 174.900 -0.465 0.000 1.005 210 G CA 0.812 45.543 45.100 -0.615 0.000 0.713 210 G HN 1.257 nan 8.290 nan 0.000 0.515 211 D N 0.155 120.427 120.400 -0.213 0.000 2.182 211 D HA -0.031 4.613 4.640 0.006 0.000 0.201 211 D C 2.045 177.942 176.300 -0.673 0.000 0.986 211 D CA 1.596 55.480 54.000 -0.193 0.000 0.847 211 D CB -1.014 39.896 40.800 0.184 0.000 0.942 211 D HN 0.821 nan 8.370 nan 0.000 0.467 212 G N -0.449 108.030 108.800 -0.535 0.000 3.088 212 G HA2 0.270 4.234 3.960 0.006 0.000 0.212 212 G HA3 0.270 4.234 3.960 0.006 0.000 0.212 212 G C 1.171 175.828 174.900 -0.404 0.000 1.173 212 G CA 0.161 44.852 45.100 -0.683 0.000 0.779 212 G HN 0.464 nan 8.290 nan 0.000 0.540 213 G N 0.512 109.033 108.800 -0.466 0.000 3.575 213 G HA2 0.304 4.268 3.960 0.006 0.000 0.273 213 G HA3 0.304 4.268 3.960 0.006 0.000 0.273 213 G C 0.756 175.499 174.900 -0.262 0.000 1.053 213 G CA 0.393 45.319 45.100 -0.290 0.000 0.803 213 G HN 0.425 nan 8.290 nan 0.000 0.528 214 T N -1.670 112.669 114.554 -0.358 0.000 2.898 214 T HA 0.383 4.737 4.350 0.006 0.000 0.301 214 T C 0.555 175.156 174.700 -0.165 0.000 1.049 214 T CA -0.564 61.385 62.100 -0.251 0.000 1.095 214 T CB 2.120 70.816 68.868 -0.286 0.000 0.976 214 T HN 0.264 nan 8.240 nan 0.000 0.539 215 V N 3.525 123.377 119.914 -0.104 0.000 2.557 215 V HA 0.098 4.222 4.120 0.006 0.000 0.301 215 V C 0.282 176.335 176.094 -0.068 0.000 1.026 215 V CA 0.672 62.929 62.300 -0.071 0.000 1.137 215 V CB -1.073 30.719 31.823 -0.052 0.000 0.917 215 V HN 1.083 nan 8.190 nan 0.000 0.484 216 D N 4.102 124.467 120.400 -0.058 0.000 3.039 216 D HA -0.215 4.428 4.640 0.006 0.000 0.222 216 D C 1.110 177.387 176.300 -0.039 0.000 1.179 216 D CA 1.703 55.673 54.000 -0.050 0.000 0.880 216 D CB -1.528 39.245 40.800 -0.044 0.000 1.115 216 D HN 1.757 nan 8.370 nan 0.000 0.416 217 G N -0.148 108.614 108.800 -0.064 0.000 2.203 217 G HA2 -0.353 3.610 3.960 0.006 0.000 0.263 217 G HA3 -0.353 3.610 3.960 0.006 0.000 0.263 217 G C 0.407 175.327 174.900 0.033 0.000 1.012 217 G CA 0.326 45.398 45.100 -0.048 0.000 0.749 217 G HN 0.591 nan 8.290 nan 0.000 0.512 218 I N 0.964 121.526 120.570 -0.014 0.000 2.587 218 I HA 0.019 4.192 4.170 0.006 0.000 0.284 218 I C 1.210 177.371 176.117 0.072 0.000 1.134 218 I CA -0.144 61.177 61.300 0.035 0.000 1.410 218 I CB 0.431 38.430 38.000 -0.003 0.000 1.392 218 I HN 0.294 nan 8.210 nan 0.000 0.545 219 N N 6.627 125.458 118.700 0.220 0.000 2.458 219 N HA -0.059 4.685 4.740 0.006 0.000 0.258 219 N C 0.187 175.795 175.510 0.164 0.000 1.219 219 N CA 0.180 53.436 53.050 0.343 0.000 0.902 219 N CB 0.435 39.104 38.487 0.303 0.000 1.076 219 N HN 0.706 nan 8.380 nan 0.000 0.455 220 E N -0.997 119.315 120.200 0.186 0.000 3.496 220 E HA -0.312 4.041 4.350 0.006 0.000 0.300 220 E C -0.245 176.396 176.600 0.068 0.000 0.877 220 E CA 0.408 56.890 56.400 0.136 0.000 1.050 220 E CB -1.406 28.319 29.700 0.041 0.000 1.532 220 E HN 0.683 nan 8.360 nan 0.000 0.447 221 N N 0.675 119.386 118.700 0.019 0.000 2.460 221 N HA 0.122 4.865 4.740 0.006 0.000 0.296 221 N C -0.116 175.383 175.510 -0.019 0.000 1.319 221 N CA -0.389 52.657 53.050 -0.007 0.000 0.945 221 N CB 0.517 38.988 38.487 -0.026 0.000 1.096 221 N HN -0.052 nan 8.380 nan 0.000 0.538 222 N N -0.236 118.446 118.700 -0.031 0.000 2.434 222 N HA 0.177 4.920 4.740 0.006 0.000 0.272 222 N C -1.550 173.930 175.510 -0.050 0.000 1.040 222 N CA 0.123 53.156 53.050 -0.028 0.000 0.956 222 N CB 0.781 39.250 38.487 -0.030 0.000 1.108 222 N HN 0.226 nan 8.380 nan 0.000 0.481 223 T N 4.667 119.204 114.554 -0.028 0.000 2.762 223 T HA 0.395 4.749 4.350 0.006 0.000 0.303 223 T C 0.411 175.148 174.700 0.062 0.000 0.977 223 T CA -0.298 61.787 62.100 -0.025 0.000 0.961 223 T CB -0.249 68.565 68.868 -0.091 0.000 0.944 223 T HN 0.339 nan 8.240 nan 0.000 0.481 224 I N 5.355 125.934 120.570 0.015 0.000 2.307 224 I HA 0.556 4.730 4.170 0.006 0.000 0.287 224 I C -0.186 175.963 176.117 0.054 0.000 1.054 224 I CA -0.355 60.944 61.300 -0.001 0.000 1.218 224 I CB 0.439 38.417 38.000 -0.037 0.000 1.398 224 I HN 0.504 nan 8.210 nan 0.000 0.475 225 I N 5.814 126.462 120.570 0.130 0.000 2.828 225 I HA 0.276 4.449 4.170 0.006 0.000 0.295 225 I C -1.062 175.218 176.117 0.272 0.000 1.459 225 I CA -0.700 60.712 61.300 0.186 0.000 1.015 225 I CB 2.065 40.195 38.000 0.216 0.000 1.345 225 I HN 0.586 nan 8.210 nan 0.000 0.449 226 N N 5.720 124.527 118.700 0.177 0.000 2.354 226 N HA 0.124 4.867 4.740 0.006 0.000 0.246 226 N C 0.678 176.380 175.510 0.320 0.000 1.285 226 N CA -0.190 52.974 53.050 0.189 0.000 0.925 226 N CB 0.476 39.017 38.487 0.091 0.000 1.174 226 N HN 0.692 nan 8.380 nan 0.000 0.478 227 R N -0.181 120.531 120.500 0.353 0.000 2.091 227 R HA -0.217 4.126 4.340 0.006 0.000 0.238 227 R C 1.687 178.026 176.300 0.066 0.000 1.136 227 R CA 1.768 58.036 56.100 0.280 0.000 0.959 227 R CB -0.240 30.208 30.300 0.247 0.000 0.856 227 R HN 0.863 nan 8.270 nan 0.000 0.437 228 E N -0.933 119.307 120.200 0.067 0.000 2.070 228 E HA -0.195 4.159 4.350 0.006 0.000 0.197 228 E C 1.782 178.388 176.600 0.010 0.000 1.004 228 E CA 1.672 58.088 56.400 0.026 0.000 0.805 228 E CB -0.353 29.366 29.700 0.031 0.000 0.744 228 E HN 0.545 nan 8.360 nan 0.000 0.451 229 G N 1.613 110.435 108.800 0.038 0.000 2.402 229 G HA2 -0.230 3.733 3.960 0.006 0.000 0.216 229 G HA3 -0.230 3.733 3.960 0.006 0.000 0.216 229 G C 1.575 176.483 174.900 0.013 0.000 1.162 229 G CA 0.473 45.591 45.100 0.029 0.000 0.777 229 G HN 0.283 nan 8.290 nan 0.000 0.539 230 L N 0.047 121.273 121.223 0.005 0.000 2.012 230 L HA -0.061 4.282 4.340 0.006 0.000 0.210 230 L C 2.760 179.530 176.870 -0.167 0.000 1.073 230 L CA 1.554 56.319 54.840 -0.126 0.000 0.748 230 L CB -0.277 41.492 42.059 -0.485 0.000 0.891 230 L HN 0.195 nan 8.230 nan 0.000 0.431 231 M N -0.107 119.392 119.600 -0.168 0.000 2.319 231 M HA -0.111 4.373 4.480 0.006 0.000 0.265 231 M C 1.792 178.051 176.300 -0.069 0.000 1.068 231 M CA 1.135 56.347 55.300 -0.146 0.000 1.118 231 M CB -1.328 31.193 32.600 -0.132 0.000 1.395 231 M HN 0.484 nan 8.290 nan 0.000 0.435 232 N N 0.436 119.099 118.700 -0.061 0.000 2.392 232 N HA 0.012 4.755 4.740 0.006 0.000 0.177 232 N C 1.362 176.821 175.510 -0.086 0.000 1.066 232 N CA 0.625 53.644 53.050 -0.051 0.000 0.895 232 N CB 0.210 38.675 38.487 -0.036 0.000 0.988 232 N HN 0.375 nan 8.380 nan 0.000 0.457 233 I N -0.561 119.921 120.570 -0.147 0.000 3.366 233 I HA 0.081 4.255 4.170 0.006 0.000 0.267 233 I C 1.400 177.325 176.117 -0.320 0.000 1.149 233 I CA 0.198 61.323 61.300 -0.291 0.000 1.436 233 I CB -0.009 37.696 38.000 -0.492 0.000 1.379 233 I HN -0.006 nan 8.210 nan 0.000 0.460 234 H N -0.641 118.388 119.070 -0.069 0.000 2.547 234 H HA 0.116 4.675 4.556 0.006 0.000 0.272 234 H C 1.746 177.082 175.328 0.013 0.000 0.971 234 H CA 0.694 56.707 56.048 -0.059 0.000 1.245 234 H CB 0.513 30.184 29.762 -0.152 0.000 1.440 234 H HN 0.127 nan 8.280 nan 0.000 0.540 235 M N 0.527 120.167 119.600 0.067 0.000 2.447 235 M HA 0.135 4.618 4.480 0.006 0.000 0.266 235 M C -1.249 175.181 176.300 0.217 0.000 1.120 235 M CA 0.206 55.586 55.300 0.133 0.000 1.166 235 M CB -0.129 32.451 32.600 -0.034 0.000 1.349 235 M HN -0.041 nan 8.290 nan 0.000 0.463 236 P HA -0.164 nan 4.420 nan 0.000 0.216 236 P C 1.096 178.446 177.300 0.083 0.000 1.157 236 P CA 2.330 65.481 63.100 0.086 0.000 0.880 236 P CB -0.309 31.408 31.700 0.029 0.000 0.791 237 A N -2.109 120.736 122.820 0.041 0.000 2.019 237 A HA -0.210 4.113 4.320 0.006 0.000 0.219 237 A C 1.964 179.488 177.584 -0.100 0.000 1.164 237 A CA 1.296 53.301 52.037 -0.052 0.000 0.644 237 A CB -1.790 17.143 19.000 -0.113 0.000 0.805 237 A HN 0.180 nan 8.150 nan 0.000 0.449 238 Y N -0.170 120.171 120.300 0.069 0.000 2.224 238 Y HA -0.195 4.359 4.550 0.006 0.000 0.289 238 Y C 2.447 178.379 175.900 0.053 0.000 1.146 238 Y CA 1.814 59.957 58.100 0.072 0.000 1.182 238 Y CB -0.101 38.457 38.460 0.164 0.000 0.983 238 Y HN 0.295 nan 8.280 nan 0.000 0.524 239 K N 0.907 121.429 120.400 0.202 0.000 2.057 239 K HA -0.156 4.167 4.320 0.006 0.000 0.207 239 K C 1.393 178.039 176.600 0.077 0.000 1.049 239 K CA 1.924 58.288 56.287 0.130 0.000 0.931 239 K CB -0.432 32.139 32.500 0.119 0.000 0.714 239 K HN 0.239 nan 8.250 nan 0.000 0.440 240 N N 0.290 119.016 118.700 0.044 0.000 2.104 240 N HA -0.144 4.599 4.740 0.006 0.000 0.190 240 N C 1.595 177.110 175.510 0.008 0.000 1.024 240 N CA 1.610 54.667 53.050 0.012 0.000 0.853 240 N CB -0.387 38.088 38.487 -0.020 0.000 1.008 240 N HN 0.343 nan 8.380 nan 0.000 0.424 241 A N 0.876 123.692 122.820 -0.006 0.000 1.908 241 A HA -0.160 4.164 4.320 0.006 0.000 0.218 241 A C 2.050 179.674 177.584 0.067 0.000 1.181 241 A CA 1.361 53.395 52.037 -0.005 0.000 0.627 241 A CB -0.420 18.543 19.000 -0.062 0.000 0.818 241 A HN 0.112 nan 8.150 nan 0.000 0.445 242 M N 0.099 119.758 119.600 0.100 0.000 2.080 242 M HA -0.161 4.322 4.480 0.006 0.000 0.260 242 M C 1.422 177.835 176.300 0.188 0.000 1.068 242 M CA 1.611 57.010 55.300 0.165 0.000 1.109 242 M CB -1.705 30.978 32.600 0.138 0.000 1.342 242 M HN 0.336 nan 8.290 nan 0.000 0.405 243 D N 0.453 120.929 120.400 0.126 0.000 2.218 243 D HA -0.107 4.536 4.640 0.006 0.000 0.204 243 D C 1.424 177.783 176.300 0.098 0.000 0.976 243 D CA 1.088 55.163 54.000 0.125 0.000 0.853 243 D CB -0.140 40.698 40.800 0.064 0.000 0.939 243 D HN 0.412 nan 8.370 nan 0.000 0.481 244 K N -0.635 119.791 120.400 0.043 0.000 2.397 244 K HA 0.283 4.606 4.320 0.006 0.000 0.202 244 K C 0.820 177.371 176.600 -0.082 0.000 1.022 244 K CA 0.220 56.467 56.287 -0.068 0.000 1.141 244 K CB 1.008 33.475 32.500 -0.055 0.000 0.857 244 K HN 0.035 nan 8.250 nan 0.000 0.514 245 G N 1.921 110.781 108.800 0.100 0.000 2.221 245 G HA2 -0.253 3.710 3.960 0.006 0.000 0.265 245 G HA3 -0.253 3.710 3.960 0.006 0.000 0.265 245 G C 0.144 175.181 174.900 0.229 0.000 1.041 245 G CA 0.186 45.434 45.100 0.248 0.000 0.807 245 G HN 0.261 nan 8.290 nan 0.000 0.502 246 V N 0.320 120.345 119.914 0.184 0.000 2.644 246 V HA 0.258 4.381 4.120 0.006 0.000 0.305 246 V C 1.643 177.879 176.094 0.237 0.000 1.053 246 V CA 1.541 63.934 62.300 0.154 0.000 1.186 246 V CB 1.062 32.935 31.823 0.083 0.000 0.895 246 V HN 0.498 nan 8.190 nan 0.000 0.490 247 S N 3.427 119.204 115.700 0.130 0.000 2.414 247 S HA 0.029 4.502 4.470 0.006 0.000 0.227 247 S C 0.661 175.253 174.600 -0.014 0.000 1.022 247 S CA 0.983 59.208 58.200 0.042 0.000 0.958 247 S CB -0.011 63.136 63.200 -0.087 0.000 0.797 247 S HN 1.069 nan 8.310 nan 0.000 0.493 248 T N -1.416 113.140 114.554 0.002 0.000 2.883 248 T HA 0.721 5.074 4.350 0.006 0.000 0.296 248 T C -1.140 173.569 174.700 0.015 0.000 1.117 248 T CA -0.747 61.309 62.100 -0.072 0.000 1.006 248 T CB 1.926 70.513 68.868 -0.467 0.000 1.191 248 T HN -0.173 nan 8.240 nan 0.000 0.508 249 V N 2.433 122.329 119.914 -0.029 0.000 2.638 249 V HA 0.552 4.676 4.120 0.006 0.000 0.306 249 V C -0.406 175.696 176.094 0.013 0.000 1.052 249 V CA -0.874 61.360 62.300 -0.110 0.000 0.885 249 V CB 1.850 33.388 31.823 -0.476 0.000 0.999 249 V HN 1.079 nan 8.190 nan 0.000 0.424 250 M N 5.433 125.068 119.600 0.058 0.000 2.238 250 M HA 0.561 5.045 4.480 0.006 0.000 0.350 250 M C -0.923 175.424 176.300 0.079 0.000 1.138 250 M CA -0.608 54.730 55.300 0.064 0.000 1.040 250 M CB 0.998 33.619 32.600 0.034 0.000 1.639 250 M HN 0.436 nan 8.290 nan 0.000 0.451 251 I N 2.683 123.247 120.570 -0.010 0.000 2.575 251 I HA 0.135 4.308 4.170 0.006 0.000 0.285 251 I C 0.571 176.665 176.117 -0.037 0.000 1.085 251 I CA 0.099 61.335 61.300 -0.107 0.000 1.403 251 I CB 1.154 38.867 38.000 -0.477 0.000 1.409 251 I HN 0.675 nan 8.210 nan 0.000 0.557 252 S N 4.004 119.736 115.700 0.054 0.000 2.565 252 S HA 0.189 4.662 4.470 0.006 0.000 0.276 252 S C 1.057 175.806 174.600 0.247 0.000 1.326 252 S CA -0.148 58.131 58.200 0.132 0.000 1.045 252 S CB 0.313 63.584 63.200 0.118 0.000 0.918 252 S HN 0.400 nan 8.310 nan 0.000 0.505 253 Y N 2.772 123.227 120.300 0.259 0.000 2.315 253 Y HA -0.112 4.441 4.550 0.006 0.000 0.288 253 Y C 1.972 177.958 175.900 0.143 0.000 1.154 253 Y CA 0.672 58.888 58.100 0.192 0.000 1.229 253 Y CB -0.317 38.200 38.460 0.096 0.000 0.980 253 Y HN 0.693 nan 8.280 nan 0.000 0.540 254 S N -0.401 115.447 115.700 0.247 0.000 2.606 254 S HA 0.240 4.713 4.470 0.006 0.000 0.257 254 S C 0.148 174.817 174.600 0.116 0.000 1.327 254 S CA -0.833 57.441 58.200 0.125 0.000 0.984 254 S CB 1.257 64.467 63.200 0.017 0.000 0.941 254 S HN 0.066 nan 8.310 nan 0.000 0.576 255 S N -0.140 115.605 115.700 0.076 0.000 2.607 255 S HA 0.587 5.060 4.470 0.006 0.000 0.303 255 S C -1.505 173.169 174.600 0.124 0.000 1.086 255 S CA -0.600 57.656 58.200 0.093 0.000 0.995 255 S CB 0.923 64.161 63.200 0.064 0.000 1.084 255 S HN 0.795 nan 8.310 nan 0.000 0.507 256 W N 2.832 124.086 121.300 -0.077 0.000 2.475 256 W HA 0.452 5.116 4.660 0.006 0.000 0.320 256 W C -0.485 175.992 176.519 -0.071 0.000 1.022 256 W CA -0.918 56.364 57.345 -0.105 0.000 1.240 256 W CB -0.097 29.280 29.460 -0.138 0.000 1.328 256 W HN 0.745 nan 8.180 nan 0.000 0.439 257 N N 4.278 122.749 118.700 -0.381 0.000 2.716 257 N HA -0.206 4.538 4.740 0.006 0.000 0.250 257 N C 0.981 176.340 175.510 -0.251 0.000 1.033 257 N CA 2.276 55.071 53.050 -0.424 0.000 0.727 257 N CB -1.289 36.745 38.487 -0.755 0.000 0.950 257 N HN 1.343 nan 8.380 nan 0.000 0.541 258 G N -3.076 105.649 108.800 -0.124 0.000 2.176 258 G HA2 -0.312 3.651 3.960 0.006 0.000 0.253 258 G HA3 -0.312 3.651 3.960 0.006 0.000 0.253 258 G C -0.021 174.863 174.900 -0.027 0.000 0.979 258 G CA 0.268 45.328 45.100 -0.067 0.000 0.641 258 G HN 0.479 nan 8.290 nan 0.000 0.530 259 V N 2.405 122.309 119.914 -0.018 0.000 2.370 259 V HA 0.397 4.520 4.120 0.006 0.000 0.279 259 V C 0.650 176.802 176.094 0.098 0.000 1.029 259 V CA -1.272 61.053 62.300 0.041 0.000 0.870 259 V CB 1.659 33.506 31.823 0.040 0.000 0.984 259 V HN 0.214 nan 8.190 nan 0.000 0.451 260 K N 4.950 125.419 120.400 0.115 0.000 2.472 260 K HA 0.113 4.436 4.320 0.006 0.000 0.280 260 K C 1.144 177.845 176.600 0.169 0.000 1.028 260 K CA -0.147 56.232 56.287 0.154 0.000 1.045 260 K CB 0.629 33.234 32.500 0.175 0.000 0.902 260 K HN 0.510 nan 8.250 nan 0.000 0.478 261 M N 1.985 121.688 119.600 0.171 0.000 2.106 261 M HA -0.190 4.294 4.480 0.006 0.000 0.259 261 M C 1.645 178.005 176.300 0.100 0.000 1.068 261 M CA 1.801 57.172 55.300 0.118 0.000 1.100 261 M CB -0.854 31.782 32.600 0.060 0.000 1.351 261 M HN 0.559 nan 8.290 nan 0.000 0.404 262 H N -1.109 118.022 119.070 0.102 0.000 2.543 262 H HA 0.060 4.620 4.556 0.006 0.000 0.286 262 H C 1.147 176.512 175.328 0.061 0.000 1.037 262 H CA 1.224 57.323 56.048 0.085 0.000 1.250 262 H CB 0.214 30.029 29.762 0.089 0.000 1.373 262 H HN 0.381 nan 8.280 nan 0.000 0.580 263 A N 0.415 123.330 122.820 0.158 0.000 2.545 263 A HA 0.031 4.354 4.320 0.006 0.000 0.263 263 A C 0.616 178.252 177.584 0.086 0.000 1.202 263 A CA -0.370 51.722 52.037 0.091 0.000 0.959 263 A CB 0.283 19.341 19.000 0.097 0.000 1.124 263 A HN 0.062 nan 8.150 nan 0.000 0.543 264 N N 1.238 120.001 118.700 0.105 0.000 2.602 264 N HA 0.077 4.820 4.740 0.006 0.000 0.238 264 N C 0.735 176.313 175.510 0.114 0.000 1.084 264 N CA 0.038 53.159 53.050 0.120 0.000 0.952 264 N CB 0.697 39.276 38.487 0.152 0.000 1.244 264 N HN 0.561 nan 8.380 nan 0.000 0.512 265 Q N 2.019 121.873 119.800 0.090 0.000 2.084 265 Q HA -0.156 4.187 4.340 0.006 0.000 0.202 265 Q C 0.180 176.243 176.000 0.104 0.000 0.978 265 Q CA 1.474 57.325 55.803 0.079 0.000 0.844 265 Q CB 0.315 29.086 28.738 0.055 0.000 0.898 265 Q HN 0.504 nan 8.270 nan 0.000 0.426 266 D N 0.305 120.777 120.400 0.121 0.000 2.123 266 D HA -0.170 4.474 4.640 0.006 0.000 0.196 266 D C 1.849 178.259 176.300 0.183 0.000 0.992 266 D CA 1.109 55.195 54.000 0.144 0.000 0.833 266 D CB -0.099 40.794 40.800 0.155 0.000 0.954 266 D HN 0.298 nan 8.370 nan 0.000 0.455 267 L N -0.228 121.115 121.223 0.199 0.000 2.102 267 L HA -0.039 4.305 4.340 0.006 0.000 0.202 267 L C 2.433 179.511 176.870 0.347 0.000 1.076 267 L CA 0.340 55.338 54.840 0.263 0.000 0.761 267 L CB -0.176 41.975 42.059 0.153 0.000 0.921 267 L HN -0.064 nan 8.230 nan 0.000 0.444 268 V N -0.629 119.429 119.914 0.241 0.000 2.270 268 V HA -0.221 3.902 4.120 0.006 0.000 0.245 268 V C 2.410 178.526 176.094 0.037 0.000 1.043 268 V CA 2.317 64.668 62.300 0.084 0.000 1.014 268 V CB -0.584 31.274 31.823 0.059 0.000 0.645 268 V HN 0.430 nan 8.190 nan 0.000 0.447 269 T N -0.066 114.530 114.554 0.071 0.000 2.866 269 T HA 0.072 4.425 4.350 0.006 0.000 0.250 269 T C 1.921 176.659 174.700 0.064 0.000 1.033 269 T CA 1.130 63.262 62.100 0.053 0.000 1.145 269 T CB -0.564 68.331 68.868 0.045 0.000 0.866 269 T HN 0.544 nan 8.240 nan 0.000 0.434 270 G N -0.347 108.512 108.800 0.098 0.000 2.418 270 G HA2 -0.200 3.764 3.960 0.006 0.000 0.217 270 G HA3 -0.200 3.764 3.960 0.006 0.000 0.217 270 G C 1.341 176.324 174.900 0.139 0.000 1.158 270 G CA 0.762 45.928 45.100 0.111 0.000 0.771 270 G HN 0.464 nan 8.290 nan 0.000 0.545 271 Y N -0.318 120.017 120.300 0.060 0.000 2.265 271 Y HA 0.304 4.858 4.550 0.006 0.000 0.290 271 Y C 2.446 178.367 175.900 0.034 0.000 1.137 271 Y CA 0.607 58.745 58.100 0.063 0.000 1.147 271 Y CB -0.437 38.079 38.460 0.094 0.000 1.104 271 Y HN 0.074 nan 8.280 nan 0.000 0.514 272 L N 1.123 122.397 121.223 0.085 0.000 1.970 272 L HA -0.199 4.144 4.340 0.006 0.000 0.212 272 L C 1.984 178.818 176.870 -0.060 0.000 1.071 272 L CA 2.129 56.880 54.840 -0.147 0.000 0.751 272 L CB -0.761 40.951 42.059 -0.579 0.000 0.889 272 L HN 0.148 nan 8.230 nan 0.000 0.432 273 K N -0.901 119.495 120.400 -0.006 0.000 2.044 273 K HA -0.079 4.244 4.320 0.006 0.000 0.204 273 K C 1.662 178.254 176.600 -0.014 0.000 1.049 273 K CA 1.481 57.788 56.287 0.034 0.000 0.945 273 K CB -0.171 32.351 32.500 0.036 0.000 0.724 273 K HN 0.328 nan 8.250 nan 0.000 0.440 274 D N -0.535 119.847 120.400 -0.030 0.000 2.305 274 D HA -0.019 4.624 4.640 0.006 0.000 0.206 274 D C 1.408 177.657 176.300 -0.084 0.000 0.974 274 D CA 0.978 54.955 54.000 -0.039 0.000 0.871 274 D CB 0.332 41.127 40.800 -0.009 0.000 0.947 274 D HN 0.108 nan 8.370 nan 0.000 0.516 275 T N -0.183 114.265 114.554 -0.177 0.000 3.071 275 T HA 0.189 4.543 4.350 0.006 0.000 0.239 275 T C 1.974 176.500 174.700 -0.290 0.000 0.997 275 T CA -0.058 61.877 62.100 -0.275 0.000 1.134 275 T CB 0.255 68.836 68.868 -0.478 0.000 0.928 275 T HN 0.009 nan 8.240 nan 0.000 0.453 276 L N 0.778 121.797 121.223 -0.340 0.000 2.478 276 L HA 0.131 4.474 4.340 0.006 0.000 0.223 276 L C 0.432 177.275 176.870 -0.046 0.000 1.140 276 L CA 0.374 55.108 54.840 -0.177 0.000 0.842 276 L CB -0.258 41.717 42.059 -0.140 0.000 0.953 276 L HN 0.156 nan 8.230 nan 0.000 0.452 277 K N -0.363 120.011 120.400 -0.043 0.000 3.129 277 K HA -0.239 4.085 4.320 0.006 0.000 0.273 277 K C -0.125 176.502 176.600 0.046 0.000 1.123 277 K CA 0.530 56.809 56.287 -0.014 0.000 0.800 277 K CB -2.578 29.900 32.500 -0.038 0.000 1.238 277 K HN 0.168 nan 8.250 nan 0.000 0.492 278 F N 1.928 121.830 119.950 -0.079 0.000 2.578 278 F HA 0.022 4.552 4.527 0.006 0.000 0.381 278 F C 1.154 176.929 175.800 -0.043 0.000 1.069 278 F CA 0.149 58.115 58.000 -0.057 0.000 1.231 278 F CB 0.585 39.533 39.000 -0.087 0.000 1.086 278 F HN -0.089 nan 8.300 nan 0.000 0.564 279 K N 4.724 124.757 120.400 -0.612 0.000 2.402 279 K HA 0.253 4.576 4.320 0.006 0.000 0.204 279 K C 0.845 177.045 176.600 -0.667 0.000 1.056 279 K CA 0.321 56.305 56.287 -0.504 0.000 1.069 279 K CB 0.591 32.947 32.500 -0.239 0.000 0.888 279 K HN 0.767 nan 8.250 nan 0.000 0.546 280 G N 1.168 109.155 108.800 -1.354 0.000 2.494 280 G HA2 0.333 4.296 3.960 0.006 0.000 0.270 280 G HA3 0.333 4.296 3.960 0.006 0.000 0.270 280 G C -0.356 174.194 174.900 -0.582 0.000 1.423 280 G CA -0.501 44.101 45.100 -0.830 0.000 1.055 280 G HN 0.118 nan 8.290 nan 0.000 0.536 281 F N -1.346 118.537 119.950 -0.112 0.000 2.458 281 F HA 0.717 5.247 4.527 0.005 0.000 0.330 281 F C -0.492 175.484 175.800 0.293 0.000 1.082 281 F CA -1.725 56.308 58.000 0.056 0.000 0.995 281 F CB 1.601 40.611 39.000 0.016 0.000 1.170 281 F HN 0.214 nan 8.300 nan 0.000 0.478 282 V N 5.367 125.576 119.914 0.492 0.000 2.394 282 V HA 0.376 4.500 4.120 0.006 0.000 0.282 282 V C -0.078 176.223 176.094 0.346 0.000 1.031 282 V CA -0.678 61.818 62.300 0.327 0.000 0.881 282 V CB 1.213 33.144 31.823 0.180 0.000 0.982 282 V HN 0.889 nan 8.190 nan 0.000 0.451 283 I N 4.385 125.135 120.570 0.300 0.000 2.493 283 I HA 0.543 4.717 4.170 0.006 0.000 0.298 283 I C 0.768 176.965 176.117 0.132 0.000 0.998 283 I CA -0.188 61.280 61.300 0.280 0.000 1.137 283 I CB 2.159 40.414 38.000 0.425 0.000 1.310 283 I HN 0.793 nan 8.210 nan 0.000 0.445 284 S N 4.904 120.675 115.700 0.119 0.000 2.600 284 S HA 0.167 4.641 4.470 0.006 0.000 0.265 284 S C -0.080 174.605 174.600 0.141 0.000 1.325 284 S CA -0.557 57.755 58.200 0.186 0.000 1.002 284 S CB 1.107 64.448 63.200 0.235 0.000 0.921 284 S HN 0.686 nan 8.310 nan 0.000 0.554 285 D N -0.185 120.347 120.400 0.221 0.000 2.447 285 D HA 0.098 4.742 4.640 0.006 0.000 0.265 285 D C -0.549 175.789 176.300 0.063 0.000 1.250 285 D CA -0.611 53.360 54.000 -0.049 0.000 1.046 285 D CB 0.503 40.978 40.800 -0.542 0.000 1.095 285 D HN 0.724 nan 8.370 nan 0.000 0.555 286 W N 1.781 123.043 121.300 -0.062 0.000 2.485 286 W HA 0.125 4.788 4.660 0.005 0.000 0.315 286 W C -0.053 176.554 176.519 0.148 0.000 1.304 286 W CA 0.005 57.377 57.345 0.046 0.000 1.345 286 W CB -0.609 28.884 29.460 0.055 0.000 1.368 286 W HN 0.658 nan 8.180 nan 0.000 0.497 287 E N 2.312 122.569 120.200 0.094 0.000 2.722 287 E HA -0.259 4.095 4.350 0.006 0.000 0.265 287 E C 1.471 178.178 176.600 0.178 0.000 1.081 287 E CA 0.637 57.108 56.400 0.119 0.000 0.781 287 E CB -1.232 28.553 29.700 0.143 0.000 1.372 287 E HN 0.740 nan 8.360 nan 0.000 0.423 288 G N 1.116 109.964 108.800 0.079 0.000 2.442 288 G HA2 -0.240 3.723 3.960 0.006 0.000 0.219 288 G HA3 -0.240 3.723 3.960 0.006 0.000 0.219 288 G C 1.453 176.094 174.900 -0.431 0.000 1.141 288 G CA 1.062 45.945 45.100 -0.362 0.000 0.763 288 G HN 0.548 nan 8.290 nan 0.000 0.554 289 I N -0.846 119.656 120.570 -0.114 0.000 2.353 289 I HA -0.027 4.147 4.170 0.006 0.000 0.248 289 I C 1.797 177.969 176.117 0.091 0.000 1.119 289 I CA 1.824 63.134 61.300 0.016 0.000 1.417 289 I CB -0.381 37.646 38.000 0.045 0.000 1.078 289 I HN -0.062 nan 8.210 nan 0.000 0.421 290 D N 1.706 122.215 120.400 0.183 0.000 2.158 290 D HA -0.179 4.464 4.640 0.006 0.000 0.197 290 D C 2.027 178.417 176.300 0.150 0.000 0.995 290 D CA 1.487 55.630 54.000 0.238 0.000 0.846 290 D CB -0.311 40.610 40.800 0.202 0.000 0.941 290 D HN 0.460 nan 8.370 nan 0.000 0.456 291 R N -0.095 120.465 120.500 0.101 0.000 2.320 291 R HA 0.252 4.596 4.340 0.006 0.000 0.211 291 R C 1.776 178.132 176.300 0.094 0.000 0.931 291 R CA -0.117 56.032 56.100 0.082 0.000 1.071 291 R CB 0.048 30.386 30.300 0.063 0.000 1.025 291 R HN 0.256 nan 8.270 nan 0.000 0.495 292 I N 0.726 121.363 120.570 0.112 0.000 2.226 292 I HA -0.200 3.973 4.170 0.006 0.000 0.245 292 I C 1.320 177.536 176.117 0.165 0.000 1.100 292 I CA 1.159 62.552 61.300 0.155 0.000 1.374 292 I CB -0.424 37.683 38.000 0.179 0.000 1.057 292 I HN 0.215 nan 8.210 nan 0.000 0.413 293 T N -1.717 112.933 114.554 0.161 0.000 2.902 293 T HA 0.349 4.702 4.350 0.006 0.000 0.280 293 T C -0.056 174.689 174.700 0.075 0.000 0.992 293 T CA -0.539 61.634 62.100 0.122 0.000 1.015 293 T CB 1.744 70.692 68.868 0.134 0.000 1.044 293 T HN -0.064 nan 8.240 nan 0.000 0.520 294 T N 3.228 117.809 114.554 0.045 0.000 2.815 294 T HA 0.538 4.891 4.350 0.006 0.000 0.289 294 T C -2.384 172.327 174.700 0.019 0.000 1.000 294 T CA -0.776 61.341 62.100 0.028 0.000 0.958 294 T CB 1.027 69.905 68.868 0.017 0.000 0.944 294 T HN 0.593 nan 8.240 nan 0.000 0.442 295 P HA 0.409 nan 4.420 nan 0.000 0.270 295 P C -0.440 176.887 177.300 0.044 0.000 1.223 295 P CA -0.609 62.507 63.100 0.026 0.000 0.785 295 P CB 0.322 32.035 31.700 0.021 0.000 0.923 296 A N 1.422 124.268 122.820 0.044 0.000 2.540 296 A HA 0.405 4.728 4.320 0.006 0.000 0.239 296 A C 1.496 179.123 177.584 0.073 0.000 1.061 296 A CA 0.586 52.660 52.037 0.063 0.000 0.758 296 A CB -1.246 17.782 19.000 0.045 0.000 0.991 296 A HN 0.985 nan 8.150 nan 0.000 0.502 297 G N 1.150 110.020 108.800 0.117 0.000 2.162 297 G HA2 -0.284 3.679 3.960 0.006 0.000 0.260 297 G HA3 -0.284 3.679 3.960 0.006 0.000 0.260 297 G C 1.133 176.103 174.900 0.117 0.000 0.976 297 G CA 1.316 46.492 45.100 0.127 0.000 0.655 297 G HN 2.124 nan 8.290 nan 0.000 0.533 298 S N -1.319 114.443 115.700 0.104 0.000 2.522 298 S HA 0.272 4.746 4.470 0.006 0.000 0.227 298 S C 0.656 175.317 174.600 0.103 0.000 0.986 298 S CA 1.143 59.391 58.200 0.080 0.000 0.929 298 S CB 0.459 63.689 63.200 0.051 0.000 0.769 298 S HN 0.463 nan 8.310 nan 0.000 0.529 299 D N -0.213 120.283 120.400 0.160 0.000 2.668 299 D HA 0.179 4.822 4.640 0.006 0.000 0.247 299 D C -0.276 176.189 176.300 0.276 0.000 1.268 299 D CA -0.617 53.497 54.000 0.189 0.000 0.842 299 D CB -0.069 40.819 40.800 0.147 0.000 1.399 299 D HN 0.067 nan 8.370 nan 0.000 0.530 300 Y N 1.630 122.003 120.300 0.122 0.000 2.274 300 Y HA -0.136 4.417 4.550 0.005 0.000 0.290 300 Y C 2.221 178.216 175.900 0.159 0.000 1.145 300 Y CA 1.963 60.140 58.100 0.128 0.000 1.203 300 Y CB 0.016 38.531 38.460 0.092 0.000 0.984 300 Y HN 0.344 nan 8.280 nan 0.000 0.533 301 S N -0.885 114.934 115.700 0.198 0.000 2.359 301 S HA -0.315 4.158 4.470 0.006 0.000 0.224 301 S C 2.059 176.800 174.600 0.235 0.000 1.035 301 S CA 1.715 60.033 58.200 0.197 0.000 1.018 301 S CB -0.930 62.382 63.200 0.187 0.000 0.876 301 S HN 0.652 nan 8.310 nan 0.000 0.448 302 Y N 2.035 122.388 120.300 0.088 0.000 2.145 302 Y HA -0.093 4.461 4.550 0.006 0.000 0.286 302 Y C 2.622 178.520 175.900 -0.003 0.000 1.145 302 Y CA 1.933 60.054 58.100 0.035 0.000 1.148 302 Y CB -0.885 37.599 38.460 0.039 0.000 0.981 302 Y HN 0.292 nan 8.280 nan 0.000 0.507 303 S N -0.521 115.164 115.700 -0.025 0.000 2.365 303 S HA -0.229 4.244 4.470 0.006 0.000 0.225 303 S C 2.102 176.569 174.600 -0.221 0.000 1.039 303 S CA 1.649 59.770 58.200 -0.131 0.000 1.033 303 S CB -0.797 62.365 63.200 -0.063 0.000 0.887 303 S HN 0.350 nan 8.310 nan 0.000 0.447 304 V N 1.712 121.480 119.914 -0.244 0.000 2.307 304 V HA -0.172 3.952 4.120 0.006 0.000 0.245 304 V C 2.390 178.403 176.094 -0.136 0.000 1.045 304 V CA 1.843 64.065 62.300 -0.130 0.000 1.024 304 V CB -0.540 31.227 31.823 -0.094 0.000 0.651 304 V HN 0.427 nan 8.190 nan 0.000 0.449 305 K N 0.244 120.494 120.400 -0.251 0.000 2.009 305 K HA -0.199 4.125 4.320 0.006 0.000 0.210 305 K C 2.224 178.627 176.600 -0.328 0.000 1.049 305 K CA 1.693 57.738 56.287 -0.403 0.000 0.929 305 K CB -0.390 31.782 32.500 -0.545 0.000 0.714 305 K HN 0.407 nan 8.250 nan 0.000 0.440 306 A N 0.904 123.446 122.820 -0.463 0.000 1.877 306 A HA -0.194 4.129 4.320 0.006 0.000 0.216 306 A C 2.181 179.663 177.584 -0.170 0.000 1.186 306 A CA 2.436 54.232 52.037 -0.402 0.000 0.620 306 A CB -0.891 17.715 19.000 -0.657 0.000 0.822 306 A HN 0.592 nan 8.150 nan 0.000 0.443 307 S N -0.265 115.368 115.700 -0.112 0.000 2.371 307 S HA -0.079 4.395 4.470 0.006 0.000 0.224 307 S C 1.799 176.406 174.600 0.010 0.000 1.029 307 S CA 1.292 59.493 58.200 0.001 0.000 0.978 307 S CB -0.492 62.746 63.200 0.064 0.000 0.833 307 S HN 0.310 nan 8.310 nan 0.000 0.466 308 I N 2.273 122.841 120.570 -0.004 0.000 2.252 308 I HA -0.008 4.165 4.170 0.006 0.000 0.245 308 I C 2.440 178.549 176.117 -0.014 0.000 1.102 308 I CA 0.909 62.217 61.300 0.012 0.000 1.385 308 I CB -1.468 36.542 38.000 0.017 0.000 1.064 308 I HN 0.315 nan 8.210 nan 0.000 0.414 309 L N 0.626 121.818 121.223 -0.052 0.000 2.201 309 L HA -0.124 4.219 4.340 0.006 0.000 0.212 309 L C 2.660 179.521 176.870 -0.015 0.000 1.105 309 L CA 1.023 55.836 54.840 -0.044 0.000 0.775 309 L CB -0.606 41.409 42.059 -0.073 0.000 0.913 309 L HN 0.170 nan 8.230 nan 0.000 0.440 310 A N -0.426 122.389 122.820 -0.009 0.000 2.067 310 A HA 0.091 4.414 4.320 0.006 0.000 0.219 310 A C 1.817 179.419 177.584 0.030 0.000 1.158 310 A CA 1.384 53.433 52.037 0.020 0.000 0.661 310 A CB -0.378 18.641 19.000 0.031 0.000 0.801 310 A HN 0.540 nan 8.150 nan 0.000 0.452 311 G N -2.673 106.142 108.800 0.026 0.000 2.198 311 G HA2 -0.067 3.896 3.960 0.006 0.000 0.156 311 G HA3 -0.067 3.896 3.960 0.006 0.000 0.156 311 G C -0.147 174.781 174.900 0.047 0.000 1.012 311 G CA -0.144 44.976 45.100 0.033 0.000 0.692 311 G HN 0.284 nan 8.290 nan 0.000 0.492 312 L N 1.549 122.802 121.223 0.050 0.000 2.485 312 L HA 0.358 4.702 4.340 0.006 0.000 0.275 312 L C 1.234 178.157 176.870 0.088 0.000 1.207 312 L CA 0.748 55.632 54.840 0.072 0.000 0.855 312 L CB 0.595 42.697 42.059 0.072 0.000 1.114 312 L HN 0.131 nan 8.230 nan 0.000 0.485 313 D N 1.184 121.655 120.400 0.118 0.000 2.431 313 D HA 0.116 4.760 4.640 0.006 0.000 0.235 313 D C 0.344 176.673 176.300 0.050 0.000 0.980 313 D CA 0.699 54.756 54.000 0.094 0.000 0.912 313 D CB 0.500 41.382 40.800 0.137 0.000 1.056 313 D HN 0.402 nan 8.370 nan 0.000 0.494 314 M N 1.342 120.982 119.600 0.067 0.000 2.326 314 M HA 0.329 4.813 4.480 0.006 0.000 0.306 314 M C -1.863 174.443 176.300 0.010 0.000 1.054 314 M CA -0.599 54.695 55.300 -0.009 0.000 0.922 314 M CB 2.341 34.873 32.600 -0.113 0.000 1.632 314 M HN -0.326 nan 8.290 nan 0.000 0.436 315 I N 5.524 126.026 120.570 -0.112 0.000 2.339 315 I HA 0.280 4.453 4.170 0.006 0.000 0.290 315 I C -0.180 175.787 176.117 -0.250 0.000 0.994 315 I CA -0.418 60.737 61.300 -0.241 0.000 1.191 315 I CB 1.430 39.046 38.000 -0.640 0.000 1.343 315 I HN 0.912 nan 8.210 nan 0.000 0.458 316 M N 7.232 126.749 119.600 -0.139 0.000 2.557 316 M HA 0.116 4.599 4.480 0.006 0.000 0.328 316 M C 0.422 176.567 176.300 -0.258 0.000 1.423 316 M CA -0.053 55.157 55.300 -0.151 0.000 1.418 316 M CB 0.323 32.883 32.600 -0.066 0.000 1.381 316 M HN 0.492 nan 8.290 nan 0.000 0.467 317 V N 6.150 125.872 119.914 -0.320 0.000 2.233 317 V HA -0.136 3.988 4.120 0.006 0.000 0.247 317 V C -0.912 174.954 176.094 -0.380 0.000 1.050 317 V CA 1.917 64.032 62.300 -0.309 0.000 1.010 317 V CB -1.691 29.997 31.823 -0.226 0.000 0.637 317 V HN 0.738 nan 8.190 nan 0.000 0.444 318 P HA 0.099 nan 4.420 nan 0.000 0.264 318 P C 0.570 177.675 177.300 -0.326 0.000 1.259 318 P CA 0.721 63.496 63.100 -0.542 0.000 0.841 318 P CB 0.107 31.200 31.700 -1.012 0.000 1.232 319 N N -0.071 118.463 118.700 -0.278 0.000 2.571 319 N HA 0.048 4.791 4.740 0.006 0.000 0.195 319 N C 0.429 175.876 175.510 -0.105 0.000 1.040 319 N CA 0.168 53.135 53.050 -0.138 0.000 0.890 319 N CB -0.013 38.381 38.487 -0.156 0.000 1.233 319 N HN -0.181 nan 8.380 nan 0.000 0.435 320 K N 1.911 122.204 120.400 -0.178 0.000 2.758 320 K HA 0.093 4.416 4.320 0.006 0.000 0.250 320 K C 0.019 176.520 176.600 -0.164 0.000 1.268 320 K CA -0.248 55.887 56.287 -0.254 0.000 1.228 320 K CB -0.764 31.572 32.500 -0.273 0.000 1.715 320 K HN 0.427 nan 8.250 nan 0.000 0.334 321 Y N -1.371 118.931 120.300 0.003 0.000 2.293 321 Y HA -0.161 4.393 4.550 0.006 0.000 0.291 321 Y C 1.962 177.940 175.900 0.130 0.000 1.137 321 Y CA 0.904 59.060 58.100 0.092 0.000 1.202 321 Y CB -0.404 38.076 38.460 0.034 0.000 0.990 321 Y HN 0.373 nan 8.280 nan 0.000 0.537 322 Q N 0.530 120.115 119.800 -0.359 0.000 2.084 322 Q HA -0.272 4.071 4.340 0.006 0.000 0.202 322 Q C 2.543 178.538 176.000 -0.010 0.000 0.978 322 Q CA 1.873 57.617 55.803 -0.098 0.000 0.844 322 Q CB -0.159 28.446 28.738 -0.221 0.000 0.898 322 Q HN 0.757 nan 8.270 nan 0.000 0.426 323 Q N -0.570 119.206 119.800 -0.040 0.000 2.050 323 Q HA -0.208 4.136 4.340 0.006 0.000 0.202 323 Q C 1.921 178.042 176.000 0.201 0.000 0.980 323 Q CA 1.579 57.409 55.803 0.044 0.000 0.840 323 Q CB -0.254 28.467 28.738 -0.027 0.000 0.898 323 Q HN 0.448 nan 8.270 nan 0.000 0.424 324 F N 1.099 121.163 119.950 0.190 0.000 2.069 324 F HA -0.235 4.295 4.527 0.005 0.000 0.298 324 F C 1.852 177.729 175.800 0.129 0.000 1.113 324 F CA 1.681 59.842 58.000 0.269 0.000 1.214 324 F CB -0.357 38.787 39.000 0.240 0.000 0.978 324 F HN 0.075 nan 8.300 nan 0.000 0.474 325 I N -0.711 119.850 120.570 -0.015 0.000 2.226 325 I HA -0.305 3.868 4.170 0.006 0.000 0.245 325 I C 2.739 178.768 176.117 -0.148 0.000 1.100 325 I CA 1.516 62.737 61.300 -0.132 0.000 1.374 325 I CB -0.768 37.288 38.000 0.095 0.000 1.057 325 I HN 0.255 nan 8.210 nan 0.000 0.413 326 S N 0.951 116.610 115.700 -0.068 0.000 2.356 326 S HA -0.130 4.343 4.470 0.006 0.000 0.223 326 S C 2.086 176.606 174.600 -0.134 0.000 1.032 326 S CA 1.082 59.239 58.200 -0.071 0.000 1.005 326 S CB -0.077 63.102 63.200 -0.034 0.000 0.867 326 S HN 0.225 nan 8.310 nan 0.000 0.449 327 I N 1.469 121.949 120.570 -0.151 0.000 2.179 327 I HA -0.087 4.087 4.170 0.006 0.000 0.242 327 I C 2.384 178.303 176.117 -0.330 0.000 1.088 327 I CA 0.958 62.114 61.300 -0.239 0.000 1.357 327 I CB -1.388 36.535 38.000 -0.128 0.000 1.051 327 I HN 0.368 nan 8.210 nan 0.000 0.409 328 L N 0.901 121.917 121.223 -0.346 0.000 2.046 328 L HA -0.183 4.160 4.340 0.006 0.000 0.208 328 L C 2.499 179.268 176.870 -0.169 0.000 1.077 328 L CA 2.080 56.750 54.840 -0.284 0.000 0.747 328 L CB -1.179 40.546 42.059 -0.557 0.000 0.896 328 L HN 0.176 nan 8.230 nan 0.000 0.432 329 T N -0.485 113.964 114.554 -0.175 0.000 2.720 329 T HA -0.149 4.205 4.350 0.006 0.000 0.268 329 T C 1.717 176.364 174.700 -0.088 0.000 1.037 329 T CA 1.352 63.390 62.100 -0.103 0.000 1.144 329 T CB -0.973 67.848 68.868 -0.078 0.000 0.864 329 T HN 0.598 nan 8.240 nan 0.000 0.444 330 G N 0.422 109.141 108.800 -0.137 0.000 2.418 330 G HA2 -0.243 3.720 3.960 0.006 0.000 0.217 330 G HA3 -0.243 3.720 3.960 0.006 0.000 0.217 330 G C 1.220 176.062 174.900 -0.097 0.000 1.158 330 G CA 0.861 45.877 45.100 -0.140 0.000 0.771 330 G HN 0.599 nan 8.290 nan 0.000 0.545 331 H N -0.677 118.356 119.070 -0.062 0.000 2.387 331 H HA -0.027 4.532 4.556 0.006 0.000 0.299 331 H C 2.746 178.045 175.328 -0.049 0.000 1.090 331 H CA 0.842 56.857 56.048 -0.055 0.000 1.332 331 H CB 0.221 29.939 29.762 -0.073 0.000 1.386 331 H HN 0.243 nan 8.280 nan 0.000 0.516 332 V N 1.024 120.976 119.914 0.063 0.000 2.307 332 V HA -0.234 3.890 4.120 0.006 0.000 0.245 332 V C 1.867 177.965 176.094 0.007 0.000 1.045 332 V CA 1.612 63.923 62.300 0.018 0.000 1.024 332 V CB -0.330 31.487 31.823 -0.011 0.000 0.651 332 V HN 0.515 nan 8.190 nan 0.000 0.449 333 N N 1.142 119.839 118.700 -0.004 0.000 2.205 333 N HA -0.123 4.620 4.740 0.006 0.000 0.186 333 N C 1.739 177.250 175.510 0.003 0.000 1.015 333 N CA 1.665 54.711 53.050 -0.008 0.000 0.862 333 N CB -0.524 37.952 38.487 -0.018 0.000 0.986 333 N HN 0.549 nan 8.380 nan 0.000 0.429 334 G N -1.293 107.517 108.800 0.016 0.000 2.985 334 G HA2 0.279 4.242 3.960 0.006 0.000 0.209 334 G HA3 0.279 4.242 3.960 0.006 0.000 0.209 334 G C 0.971 175.888 174.900 0.029 0.000 1.165 334 G CA 0.496 45.612 45.100 0.026 0.000 0.776 334 G HN 0.466 nan 8.290 nan 0.000 0.541 335 G N -0.836 107.979 108.800 0.024 0.000 2.159 335 G HA2 -0.325 3.638 3.960 0.006 0.000 0.256 335 G HA3 -0.325 3.638 3.960 0.006 0.000 0.256 335 G C 1.145 176.052 174.900 0.012 0.000 0.977 335 G CA 0.526 45.635 45.100 0.014 0.000 0.652 335 G HN 0.457 nan 8.290 nan 0.000 0.531 336 V N 0.124 120.054 119.914 0.026 0.000 2.488 336 V HA 0.239 4.362 4.120 0.006 0.000 0.246 336 V C 1.474 177.539 176.094 -0.048 0.000 1.046 336 V CA 1.719 64.014 62.300 -0.008 0.000 1.053 336 V CB -0.031 31.796 31.823 0.006 0.000 0.679 336 V HN 0.468 nan 8.190 nan 0.000 0.458 337 I N 2.399 122.954 120.570 -0.026 0.000 2.389 337 I HA 0.346 4.519 4.170 0.006 0.000 0.288 337 I C -2.394 173.713 176.117 -0.016 0.000 0.999 337 I CA -2.030 59.248 61.300 -0.036 0.000 1.129 337 I CB 2.165 40.143 38.000 -0.037 0.000 1.288 337 I HN 0.093 nan 8.210 nan 0.000 0.444 338 P HA 0.151 nan 4.420 nan 0.000 0.274 338 P C 0.484 177.775 177.300 -0.015 0.000 1.231 338 P CA -0.499 62.593 63.100 -0.014 0.000 0.790 338 P CB 0.949 32.641 31.700 -0.013 0.000 0.951 339 M N 1.401 120.992 119.600 -0.015 0.000 2.267 339 M HA -0.126 4.358 4.480 0.006 0.000 0.263 339 M C 1.966 178.254 176.300 -0.018 0.000 1.063 339 M CA 1.956 57.245 55.300 -0.018 0.000 1.090 339 M CB -1.750 30.838 32.600 -0.020 0.000 1.392 339 M HN 0.490 nan 8.290 nan 0.000 0.422 340 S N -0.202 115.489 115.700 -0.016 0.000 2.400 340 S HA -0.195 4.279 4.470 0.006 0.000 0.232 340 S C 1.999 176.591 174.600 -0.014 0.000 1.025 340 S CA 1.297 59.487 58.200 -0.015 0.000 0.993 340 S CB -0.457 62.735 63.200 -0.013 0.000 0.808 340 S HN 0.366 nan 8.310 nan 0.000 0.478 341 R N 1.460 121.953 120.500 -0.012 0.000 2.073 341 R HA 0.161 4.505 4.340 0.006 0.000 0.229 341 R C 2.121 178.418 176.300 -0.006 0.000 1.120 341 R CA 1.404 57.499 56.100 -0.008 0.000 0.967 341 R CB -0.796 29.498 30.300 -0.010 0.000 0.862 341 R HN 0.421 nan 8.270 nan 0.000 0.436 342 I N 1.323 121.887 120.570 -0.010 0.000 2.226 342 I HA -0.237 3.936 4.170 0.006 0.000 0.245 342 I C 1.363 177.470 176.117 -0.017 0.000 1.100 342 I CA 1.538 62.831 61.300 -0.012 0.000 1.374 342 I CB -1.227 36.761 38.000 -0.020 0.000 1.057 342 I HN 0.181 nan 8.210 nan 0.000 0.413 343 D N 0.621 121.009 120.400 -0.021 0.000 2.144 343 D HA -0.207 4.437 4.640 0.006 0.000 0.199 343 D C 1.881 178.169 176.300 -0.020 0.000 0.984 343 D CA 1.373 55.358 54.000 -0.024 0.000 0.834 343 D CB -0.298 40.486 40.800 -0.026 0.000 0.955 343 D HN 0.382 nan 8.370 nan 0.000 0.465 344 D N 0.256 120.647 120.400 -0.015 0.000 2.097 344 D HA -0.108 4.536 4.640 0.006 0.000 0.195 344 D C 1.955 178.251 176.300 -0.005 0.000 0.989 344 D CA 1.766 55.758 54.000 -0.012 0.000 0.827 344 D CB -0.075 40.720 40.800 -0.008 0.000 0.966 344 D HN 0.083 nan 8.370 nan 0.000 0.456 345 A N -0.149 122.671 122.820 0.001 0.000 1.883 345 A HA -0.127 4.196 4.320 0.006 0.000 0.217 345 A C 2.522 180.096 177.584 -0.016 0.000 1.186 345 A CA 1.803 53.844 52.037 0.007 0.000 0.624 345 A CB -0.883 18.126 19.000 0.015 0.000 0.822 345 A HN 0.234 nan 8.150 nan 0.000 0.444 346 V N -0.550 119.349 119.914 -0.024 0.000 2.453 346 V HA -0.191 3.932 4.120 0.006 0.000 0.247 346 V C 2.693 178.776 176.094 -0.018 0.000 1.048 346 V CA 2.311 64.589 62.300 -0.037 0.000 1.049 346 V CB -1.240 30.559 31.823 -0.040 0.000 0.672 346 V HN 0.590 nan 8.190 nan 0.000 0.457 347 T N -0.141 114.407 114.554 -0.009 0.000 2.699 347 T HA -0.253 4.100 4.350 0.006 0.000 0.268 347 T C 2.106 176.817 174.700 0.020 0.000 1.036 347 T CA 1.891 63.993 62.100 0.003 0.000 1.147 347 T CB -0.223 68.636 68.868 -0.013 0.000 0.862 347 T HN 0.431 nan 8.240 nan 0.000 0.446 348 R N 0.121 120.629 120.500 0.013 0.000 2.066 348 R HA 0.080 4.423 4.340 0.006 0.000 0.232 348 R C 2.487 178.863 176.300 0.126 0.000 1.131 348 R CA 1.193 57.317 56.100 0.041 0.000 0.955 348 R CB -0.447 29.878 30.300 0.041 0.000 0.851 348 R HN 0.386 nan 8.270 nan 0.000 0.432 349 I N 0.903 121.491 120.570 0.031 0.000 2.163 349 I HA -0.319 3.854 4.170 0.006 0.000 0.243 349 I C 2.189 178.313 176.117 0.012 0.000 1.085 349 I CA 1.443 62.675 61.300 -0.113 0.000 1.347 349 I CB -0.332 37.455 38.000 -0.355 0.000 1.044 349 I HN 0.146 nan 8.210 nan 0.000 0.408 350 L N 0.144 121.387 121.223 0.034 0.000 2.046 350 L HA -0.214 4.130 4.340 0.006 0.000 0.208 350 L C 2.781 179.783 176.870 0.221 0.000 1.077 350 L CA 1.275 56.177 54.840 0.102 0.000 0.747 350 L CB -0.695 41.463 42.059 0.165 0.000 0.896 350 L HN 0.258 nan 8.230 nan 0.000 0.432 351 R N 0.310 120.922 120.500 0.188 0.000 2.096 351 R HA -0.172 4.172 4.340 0.006 0.000 0.240 351 R C 2.211 178.612 176.300 0.168 0.000 1.139 351 R CA 1.886 58.091 56.100 0.175 0.000 0.952 351 R CB -0.278 30.066 30.300 0.073 0.000 0.854 351 R HN 0.147 nan 8.270 nan 0.000 0.436 352 V N 1.417 121.423 119.914 0.154 0.000 2.343 352 V HA -0.239 3.884 4.120 0.006 0.000 0.247 352 V C 2.278 178.437 176.094 0.108 0.000 1.051 352 V CA 2.042 64.417 62.300 0.125 0.000 1.036 352 V CB -0.427 31.506 31.823 0.185 0.000 0.654 352 V HN 0.396 nan 8.190 nan 0.000 0.451 353 K N -0.600 119.865 120.400 0.108 0.000 2.026 353 K HA -0.144 4.179 4.320 0.006 0.000 0.208 353 K C 2.107 178.786 176.600 0.131 0.000 1.048 353 K CA 1.808 58.129 56.287 0.058 0.000 0.929 353 K CB -0.383 32.112 32.500 -0.009 0.000 0.713 353 K HN 0.390 nan 8.250 nan 0.000 0.439 354 F N 1.276 121.355 119.950 0.214 0.000 2.102 354 F HA -0.210 4.320 4.527 0.005 0.000 0.298 354 F C 2.691 178.527 175.800 0.060 0.000 1.105 354 F CA 1.203 59.264 58.000 0.102 0.000 1.239 354 F CB -0.584 38.372 39.000 -0.074 0.000 0.991 354 F HN 0.024 nan 8.300 nan 0.000 0.474 355 T N 1.040 115.730 114.554 0.227 0.000 2.720 355 T HA -0.256 4.097 4.350 0.006 0.000 0.268 355 T C 1.866 176.576 174.700 0.015 0.000 1.037 355 T CA 1.832 63.997 62.100 0.108 0.000 1.144 355 T CB -0.440 68.482 68.868 0.090 0.000 0.864 355 T HN 0.387 nan 8.240 nan 0.000 0.444 356 M N 0.179 119.783 119.600 0.006 0.000 2.619 356 M HA 0.360 4.843 4.480 0.006 0.000 0.251 356 M C 1.542 177.831 176.300 -0.018 0.000 1.106 356 M CA 1.085 56.348 55.300 -0.063 0.000 1.086 356 M CB -0.112 32.454 32.600 -0.058 0.000 1.465 356 M HN 0.283 nan 8.290 nan 0.000 0.506 357 G N 1.578 110.414 108.800 0.059 0.000 2.141 357 G HA2 -0.228 3.736 3.960 0.006 0.000 0.242 357 G HA3 -0.228 3.736 3.960 0.006 0.000 0.242 357 G C 0.548 175.503 174.900 0.092 0.000 0.982 357 G CA 0.319 45.472 45.100 0.089 0.000 0.662 357 G HN 0.505 nan 8.290 nan 0.000 0.527 358 L N -1.043 120.224 121.223 0.073 0.000 2.079 358 L HA -0.001 4.342 4.340 0.006 0.000 0.210 358 L C 2.625 179.451 176.870 -0.073 0.000 1.081 358 L CA 1.976 56.795 54.840 -0.034 0.000 0.752 358 L CB -0.329 41.659 42.059 -0.119 0.000 0.896 358 L HN 0.359 nan 8.230 nan 0.000 0.433 359 F N 0.089 119.992 119.950 -0.078 0.000 2.325 359 F HA -0.161 4.369 4.527 0.005 0.000 0.299 359 F C 2.319 178.131 175.800 0.021 0.000 1.090 359 F CA 0.838 58.817 58.000 -0.034 0.000 1.392 359 F CB -0.081 38.939 39.000 0.033 0.000 1.053 359 F HN 0.076 nan 8.300 nan 0.000 0.521 360 E N -0.772 119.550 120.200 0.203 0.000 2.190 360 E HA 0.035 4.389 4.350 0.006 0.000 0.191 360 E C 0.241 176.892 176.600 0.085 0.000 0.978 360 E CA 0.615 57.097 56.400 0.137 0.000 0.839 360 E CB 0.009 29.784 29.700 0.125 0.000 0.787 360 E HN 0.130 nan 8.360 nan 0.000 0.473 361 N N 0.686 119.415 118.700 0.048 0.000 2.765 361 N HA 0.118 4.861 4.740 0.006 0.000 0.277 361 N C -2.274 173.209 175.510 -0.045 0.000 1.750 361 N CA -0.702 52.365 53.050 0.029 0.000 0.827 361 N CB 1.540 40.050 38.487 0.039 0.000 1.200 361 N HN 0.053 nan 8.380 nan 0.000 0.494 362 P HA -0.043 nan 4.420 nan 0.000 0.229 362 P C -0.223 176.818 177.300 -0.431 0.000 1.160 362 P CA 0.852 63.733 63.100 -0.365 0.000 0.777 362 P CB 0.306 31.653 31.700 -0.588 0.000 0.814 363 Y N -0.050 120.253 120.300 0.005 0.000 2.534 363 Y HA 0.558 5.110 4.550 0.004 0.000 0.329 363 Y C 1.157 177.063 175.900 0.011 0.000 1.154 363 Y CA -1.504 56.601 58.100 0.009 0.000 1.192 363 Y CB 0.750 39.214 38.460 0.007 0.000 1.275 363 Y HN -0.150 nan 8.280 nan 0.000 0.491 364 A N 0.812 123.749 122.820 0.194 0.000 2.366 364 A HA 0.184 4.508 4.320 0.006 0.000 0.249 364 A C -0.665 176.973 177.584 0.090 0.000 1.084 364 A CA -0.239 51.862 52.037 0.106 0.000 0.794 364 A CB 0.034 19.086 19.000 0.086 0.000 1.034 364 A HN 0.692 nan 8.150 nan 0.000 0.491 365 D N 1.110 121.547 120.400 0.062 0.000 2.412 365 D HA 0.354 4.998 4.640 0.006 0.000 0.224 365 D C -1.630 174.693 176.300 0.039 0.000 1.093 365 D CA -2.061 51.968 54.000 0.049 0.000 0.850 365 D CB 1.231 42.056 40.800 0.042 0.000 1.046 365 D HN 0.133 nan 8.370 nan 0.000 0.507 366 P HA -0.114 nan 4.420 nan 0.000 0.221 366 P C 0.975 178.289 177.300 0.024 0.000 1.145 366 P CA 0.622 63.738 63.100 0.026 0.000 0.795 366 P CB 0.201 31.911 31.700 0.016 0.000 0.775 367 A N -0.626 122.208 122.820 0.023 0.000 2.121 367 A HA -0.064 4.260 4.320 0.006 0.000 0.218 367 A C 2.072 179.669 177.584 0.022 0.000 1.154 367 A CA 1.160 53.209 52.037 0.020 0.000 0.679 367 A CB -1.032 17.980 19.000 0.020 0.000 0.795 367 A HN 0.048 nan 8.150 nan 0.000 0.458 368 M N -0.945 118.671 119.600 0.027 0.000 2.541 368 M HA 0.108 4.591 4.480 0.006 0.000 0.252 368 M C 2.313 178.630 176.300 0.028 0.000 1.125 368 M CA 0.899 56.216 55.300 0.028 0.000 1.091 368 M CB -1.154 31.464 32.600 0.029 0.000 1.420 368 M HN 0.476 nan 8.290 nan 0.000 0.486 369 A N 1.651 124.488 122.820 0.028 0.000 1.948 369 A HA -0.205 4.118 4.320 0.006 0.000 0.220 369 A C 1.938 179.537 177.584 0.024 0.000 1.177 369 A CA 2.011 54.067 52.037 0.032 0.000 0.636 369 A CB -0.787 18.235 19.000 0.038 0.000 0.815 369 A HN 0.703 nan 8.150 nan 0.000 0.449 370 E N -0.717 119.493 120.200 0.016 0.000 2.472 370 E HA -0.192 4.161 4.350 0.006 0.000 0.200 370 E C 1.346 177.941 176.600 -0.009 0.000 1.046 370 E CA 0.792 57.193 56.400 0.002 0.000 0.871 370 E CB -0.266 29.432 29.700 -0.004 0.000 0.806 370 E HN 0.599 nan 8.360 nan 0.000 0.533 371 Q N 0.613 120.421 119.800 0.014 0.000 2.297 371 Q HA 0.011 4.354 4.340 0.006 0.000 0.204 371 Q C 0.819 176.851 176.000 0.053 0.000 0.962 371 Q CA 0.271 56.100 55.803 0.043 0.000 0.879 371 Q CB -0.250 28.552 28.738 0.106 0.000 0.947 371 Q HN 0.309 nan 8.270 nan 0.000 0.462 372 L N 0.958 122.196 121.223 0.026 0.000 2.513 372 L HA 0.154 4.497 4.340 0.006 0.000 0.272 372 L C 0.967 177.826 176.870 -0.018 0.000 1.187 372 L CA 1.399 56.245 54.840 0.011 0.000 0.895 372 L CB 0.264 42.320 42.059 -0.006 0.000 1.147 372 L HN 0.481 nan 8.230 nan 0.000 0.483 373 G N 2.952 111.740 108.800 -0.020 0.000 2.203 373 G HA2 -0.333 3.630 3.960 0.006 0.000 0.263 373 G HA3 -0.333 3.630 3.960 0.006 0.000 0.263 373 G C 0.607 175.445 174.900 -0.103 0.000 1.012 373 G CA 0.502 45.557 45.100 -0.075 0.000 0.749 373 G HN 0.667 nan 8.290 nan 0.000 0.512 374 K N -0.546 119.761 120.400 -0.154 0.000 2.485 374 K HA 0.106 4.429 4.320 0.006 0.000 0.277 374 K C 1.576 178.029 176.600 -0.245 0.000 0.990 374 K CA 0.164 56.277 56.287 -0.291 0.000 0.994 374 K CB 0.542 32.670 32.500 -0.620 0.000 0.906 374 K HN 0.225 nan 8.250 nan 0.000 0.488 375 Q N 2.648 122.345 119.800 -0.171 0.000 2.135 375 Q HA -0.219 4.124 4.340 0.006 0.000 0.204 375 Q C 0.846 176.790 176.000 -0.093 0.000 0.981 375 Q CA 1.941 57.678 55.803 -0.111 0.000 0.856 375 Q CB 0.101 28.791 28.738 -0.079 0.000 0.902 375 Q HN 0.580 nan 8.270 nan 0.000 0.425 376 E N -1.000 119.122 120.200 -0.130 0.000 2.118 376 E HA -0.191 4.162 4.350 0.006 0.000 0.195 376 E C 1.891 178.542 176.600 0.085 0.000 0.992 376 E CA 1.546 57.919 56.400 -0.044 0.000 0.804 376 E CB -0.222 29.443 29.700 -0.059 0.000 0.741 376 E HN 0.526 nan 8.360 nan 0.000 0.458 377 H N 0.111 119.183 119.070 0.004 0.000 2.395 377 H HA 0.099 4.658 4.556 0.005 0.000 0.299 377 H C 1.953 177.243 175.328 -0.064 0.000 1.070 377 H CA 1.090 57.163 56.048 0.041 0.000 1.356 377 H CB -0.152 29.640 29.762 0.050 0.000 1.401 377 H HN 0.097 nan 8.280 nan 0.000 0.524 378 R N 0.484 120.974 120.500 -0.018 0.000 2.096 378 R HA -0.100 4.244 4.340 0.006 0.000 0.235 378 R C 1.596 177.859 176.300 -0.063 0.000 1.127 378 R CA 1.311 57.340 56.100 -0.118 0.000 0.968 378 R CB -0.000 30.229 30.300 -0.118 0.000 0.861 378 R HN 0.306 nan 8.270 nan 0.000 0.440 379 D N 0.931 121.323 120.400 -0.015 0.000 2.144 379 D HA -0.152 4.492 4.640 0.006 0.000 0.199 379 D C 1.838 178.148 176.300 0.017 0.000 0.984 379 D CA 0.832 54.831 54.000 -0.001 0.000 0.834 379 D CB -0.172 40.636 40.800 0.012 0.000 0.955 379 D HN 0.057 nan 8.370 nan 0.000 0.465 380 L N 0.953 122.220 121.223 0.072 0.000 2.017 380 L HA -0.061 4.283 4.340 0.006 0.000 0.208 380 L C 2.121 179.089 176.870 0.163 0.000 1.073 380 L CA 1.789 56.702 54.840 0.122 0.000 0.745 380 L CB -0.782 41.404 42.059 0.211 0.000 0.894 380 L HN -0.025 nan 8.230 nan 0.000 0.432 381 A N -0.419 122.480 122.820 0.132 0.000 1.933 381 A HA -0.252 4.071 4.320 0.006 0.000 0.218 381 A C 2.541 180.125 177.584 -0.000 0.000 1.175 381 A CA 1.806 53.860 52.037 0.028 0.000 0.628 381 A CB -0.668 18.052 19.000 -0.466 0.000 0.814 381 A HN 0.530 nan 8.150 nan 0.000 0.444 382 R N -0.217 120.261 120.500 -0.037 0.000 2.081 382 R HA -0.173 4.170 4.340 0.006 0.000 0.235 382 R C 2.225 178.483 176.300 -0.069 0.000 1.131 382 R CA 1.738 57.811 56.100 -0.045 0.000 0.960 382 R CB -0.319 29.955 30.300 -0.043 0.000 0.856 382 R HN 0.722 nan 8.270 nan 0.000 0.436 383 E N -0.103 120.048 120.200 -0.082 0.000 2.058 383 E HA -0.229 4.124 4.350 0.006 0.000 0.194 383 E C 1.766 178.314 176.600 -0.087 0.000 0.997 383 E CA 1.422 57.734 56.400 -0.147 0.000 0.801 383 E CB -0.154 29.477 29.700 -0.115 0.000 0.746 383 E HN 0.479 nan 8.360 nan 0.000 0.450 384 A N 1.247 124.066 122.820 -0.002 0.000 1.902 384 A HA -0.099 4.225 4.320 0.006 0.000 0.217 384 A C 2.427 180.046 177.584 0.059 0.000 1.181 384 A CA 1.933 53.996 52.037 0.042 0.000 0.623 384 A CB -0.856 18.214 19.000 0.117 0.000 0.818 384 A HN 0.439 nan 8.150 nan 0.000 0.443 385 A N -0.302 122.553 122.820 0.058 0.000 1.883 385 A HA -0.213 4.110 4.320 0.006 0.000 0.217 385 A C 2.311 179.928 177.584 0.055 0.000 1.186 385 A CA 1.832 53.915 52.037 0.076 0.000 0.624 385 A CB -0.579 18.451 19.000 0.050 0.000 0.822 385 A HN 0.478 nan 8.150 nan 0.000 0.444 386 R N 0.243 120.729 120.500 -0.023 0.000 2.081 386 R HA -0.132 4.211 4.340 0.006 0.000 0.235 386 R C 1.852 178.124 176.300 -0.047 0.000 1.131 386 R CA 1.998 58.049 56.100 -0.082 0.000 0.960 386 R CB -0.371 29.810 30.300 -0.198 0.000 0.856 386 R HN 0.568 nan 8.270 nan 0.000 0.436 387 K N 0.322 120.701 120.400 -0.034 0.000 2.283 387 K HA -0.050 4.273 4.320 0.006 0.000 0.202 387 K C 1.959 178.621 176.600 0.105 0.000 1.048 387 K CA 1.420 57.715 56.287 0.013 0.000 0.948 387 K CB 0.018 32.513 32.500 -0.009 0.000 0.742 387 K HN 0.291 nan 8.250 nan 0.000 0.458 388 S N 0.668 116.459 115.700 0.151 0.000 2.489 388 S HA 0.022 4.496 4.470 0.006 0.000 0.228 388 S C 0.829 175.686 174.600 0.427 0.000 0.995 388 S CA -0.088 58.273 58.200 0.269 0.000 0.934 388 S CB -0.354 63.023 63.200 0.295 0.000 0.771 388 S HN 0.088 nan 8.310 nan 0.000 0.522 389 L N 2.618 124.028 121.223 0.311 0.000 2.455 389 L HA 0.320 4.663 4.340 0.006 0.000 0.272 389 L C -0.628 176.448 176.870 0.343 0.000 1.174 389 L CA -0.553 54.475 54.840 0.314 0.000 0.869 389 L CB 0.748 43.001 42.059 0.324 0.000 1.130 389 L HN 0.056 nan 8.230 nan 0.000 0.474 390 V N 4.815 124.854 119.914 0.208 0.000 2.357 390 V HA 0.210 4.333 4.120 0.006 0.000 0.284 390 V C -0.010 176.001 176.094 -0.139 0.000 1.018 390 V CA -0.600 61.769 62.300 0.115 0.000 0.841 390 V CB 1.700 33.654 31.823 0.219 0.000 0.991 390 V HN 0.425 nan 8.190 nan 0.000 0.437 391 L N 5.949 127.003 121.223 -0.282 0.000 2.315 391 L HA 0.338 4.681 4.340 0.006 0.000 0.283 391 L C 0.688 177.326 176.870 -0.387 0.000 1.089 391 L CA 0.698 55.202 54.840 -0.561 0.000 0.833 391 L CB 0.442 41.959 42.059 -0.903 0.000 1.170 391 L HN 0.607 nan 8.230 nan 0.000 0.442 392 L N 3.808 124.788 121.223 -0.404 0.000 2.354 392 L HA 0.257 4.601 4.340 0.006 0.000 0.212 392 L C 0.688 177.414 176.870 -0.240 0.000 1.091 392 L CA 0.210 54.788 54.840 -0.436 0.000 0.828 392 L CB -0.094 41.484 42.059 -0.801 0.000 0.973 392 L HN 0.595 nan 8.230 nan 0.000 0.461 393 K N 0.201 120.463 120.400 -0.230 0.000 2.557 393 K HA 0.250 4.573 4.320 0.006 0.000 0.257 393 K C -1.534 174.964 176.600 -0.170 0.000 0.933 393 K CA -0.498 55.709 56.287 -0.133 0.000 0.820 393 K CB 1.839 34.279 32.500 -0.100 0.000 1.330 393 K HN -0.250 nan 8.250 nan 0.000 0.432 394 N N 1.946 120.571 118.700 -0.125 0.000 2.725 394 N HA 0.360 5.104 4.740 0.006 0.000 0.248 394 N C -1.703 173.761 175.510 -0.078 0.000 1.402 394 N CA 0.429 53.402 53.050 -0.128 0.000 0.766 394 N CB 1.506 39.901 38.487 -0.153 0.000 1.223 394 N HN 0.884 nan 8.380 nan 0.000 0.515 395 G N 1.821 110.581 108.800 -0.065 0.000 3.239 395 G HA2 -0.106 3.858 3.960 0.006 0.000 0.666 395 G HA3 -0.106 3.858 3.960 0.006 0.000 0.666 395 G C 0.329 175.209 174.900 -0.034 0.000 1.313 395 G CA -0.493 44.583 45.100 -0.041 0.000 1.001 395 G HN 0.358 nan 8.290 nan 0.000 0.573 396 K N -0.237 120.147 120.400 -0.026 0.000 2.063 396 K HA -0.051 4.272 4.320 0.006 0.000 0.208 396 K C 1.779 178.368 176.600 -0.018 0.000 1.048 396 K CA 2.179 58.452 56.287 -0.022 0.000 0.928 396 K CB -0.080 32.411 32.500 -0.015 0.000 0.713 396 K HN 0.950 nan 8.250 nan 0.000 0.442 397 T N -3.630 110.916 114.554 -0.013 0.000 2.927 397 T HA 0.161 4.515 4.350 0.006 0.000 0.286 397 T C 0.983 175.678 174.700 -0.007 0.000 1.040 397 T CA -0.236 61.859 62.100 -0.009 0.000 1.010 397 T CB 1.556 70.420 68.868 -0.007 0.000 1.177 397 T HN 0.106 nan 8.240 nan 0.000 0.546 398 S N -0.428 115.270 115.700 -0.003 0.000 2.481 398 S HA -0.060 4.413 4.470 0.006 0.000 0.231 398 S C 1.703 176.302 174.600 -0.002 0.000 0.996 398 S CA 1.191 59.391 58.200 -0.001 0.000 0.942 398 S CB -1.232 61.970 63.200 0.004 0.000 0.768 398 S HN 1.044 nan 8.310 nan 0.000 0.520 399 T N -2.208 112.344 114.554 -0.002 0.000 3.040 399 T HA 0.245 4.598 4.350 0.006 0.000 0.250 399 T C -0.085 174.614 174.700 -0.002 0.000 1.058 399 T CA -0.410 61.690 62.100 -0.001 0.000 0.988 399 T CB -0.282 68.585 68.868 -0.000 0.000 0.993 399 T HN 0.119 nan 8.240 nan 0.000 0.519 400 D N 2.472 122.870 120.400 -0.004 0.000 2.357 400 D HA 0.540 5.183 4.640 0.006 0.000 0.242 400 D C 0.412 176.708 176.300 -0.006 0.000 1.153 400 D CA -0.070 53.928 54.000 -0.005 0.000 0.918 400 D CB 0.764 41.559 40.800 -0.008 0.000 1.181 400 D HN 0.487 nan 8.370 nan 0.000 0.435 401 A N 2.289 125.107 122.820 -0.004 0.000 2.531 401 A HA 0.283 4.607 4.320 0.006 0.000 0.236 401 A C -1.994 175.582 177.584 -0.015 0.000 1.062 401 A CA -0.859 51.175 52.037 -0.005 0.000 0.760 401 A CB -0.415 18.585 19.000 0.000 0.000 0.995 401 A HN 0.374 nan 8.150 nan 0.000 0.501 402 P HA 0.053 nan 4.420 nan 0.000 0.267 402 P C 0.625 177.902 177.300 -0.038 0.000 1.209 402 P CA -0.244 62.838 63.100 -0.030 0.000 0.763 402 P CB 0.834 32.520 31.700 -0.024 0.000 0.816 403 L N 4.700 125.890 121.223 -0.056 0.000 2.072 403 L HA 0.022 4.366 4.340 0.006 0.000 0.205 403 L C 0.798 177.608 176.870 -0.100 0.000 1.079 403 L CA 1.615 56.409 54.840 -0.076 0.000 0.752 403 L CB -0.340 41.668 42.059 -0.084 0.000 0.906 403 L HN 0.277 nan 8.230 nan 0.000 0.436 404 L N 1.381 122.555 121.223 -0.082 0.000 2.307 404 L HA 0.401 4.744 4.340 0.006 0.000 0.282 404 L C -2.109 174.765 176.870 0.008 0.000 1.051 404 L CA -2.139 52.674 54.840 -0.045 0.000 0.804 404 L CB 0.793 42.856 42.059 0.007 0.000 1.197 404 L HN 0.007 nan 8.230 nan 0.000 0.431 405 P HA 0.227 nan 4.420 nan 0.000 0.275 405 P C -0.762 176.498 177.300 -0.068 0.000 1.228 405 P CA -0.364 62.733 63.100 -0.006 0.000 0.786 405 P CB 0.938 32.657 31.700 0.033 0.000 0.927 406 L N 3.786 124.910 121.223 -0.165 0.000 2.418 406 L HA 0.373 4.717 4.340 0.006 0.000 0.265 406 L C -1.747 175.166 176.870 0.071 0.000 1.143 406 L CA -2.012 52.677 54.840 -0.252 0.000 0.809 406 L CB 0.348 42.008 42.059 -0.666 0.000 1.124 406 L HN 0.273 nan 8.230 nan 0.000 0.456 407 P HA 0.144 nan 4.420 nan 0.000 0.280 407 P C -0.600 176.888 177.300 0.313 0.000 1.244 407 P CA -0.438 62.782 63.100 0.201 0.000 0.784 407 P CB 1.049 32.855 31.700 0.176 0.000 0.913 408 K N 1.301 121.791 120.400 0.151 0.000 2.288 408 K HA -0.037 4.286 4.320 0.006 0.000 0.201 408 K C 0.987 177.594 176.600 0.012 0.000 1.048 408 K CA 0.925 57.181 56.287 -0.053 0.000 0.956 408 K CB 0.121 32.521 32.500 -0.167 0.000 0.746 408 K HN 0.366 nan 8.250 nan 0.000 0.461 409 K N 0.892 121.336 120.400 0.073 0.000 2.293 409 K HA 0.441 4.764 4.320 0.006 0.000 0.267 409 K C -1.593 175.074 176.600 0.112 0.000 1.010 409 K CA -0.400 55.925 56.287 0.063 0.000 0.875 409 K CB 1.432 33.953 32.500 0.036 0.000 1.106 409 K HN 0.003 nan 8.250 nan 0.000 0.450 410 A N 4.957 127.832 122.820 0.092 0.000 2.604 410 A HA 0.440 4.763 4.320 0.006 0.000 0.295 410 A C -2.604 174.997 177.584 0.029 0.000 1.067 410 A CA -1.260 50.828 52.037 0.085 0.000 0.683 410 A CB 1.389 20.467 19.000 0.130 0.000 1.281 410 A HN 0.548 nan 8.150 nan 0.000 0.407 411 P HA -0.066 nan 4.420 nan 0.000 0.215 411 P C 0.089 177.382 177.300 -0.012 0.000 1.157 411 P CA 1.432 64.529 63.100 -0.005 0.000 0.868 411 P CB 0.298 31.988 31.700 -0.017 0.000 0.788 412 K N -0.346 120.045 120.400 -0.015 0.000 2.557 412 K HA 0.428 4.751 4.320 0.006 0.000 0.257 412 K C -1.334 175.311 176.600 0.075 0.000 0.933 412 K CA -0.765 55.539 56.287 0.027 0.000 0.820 412 K CB 1.482 33.961 32.500 -0.035 0.000 1.330 412 K HN -0.073 nan 8.250 nan 0.000 0.432 413 I N 0.645 121.269 120.570 0.090 0.000 2.934 413 I HA 0.596 4.770 4.170 0.006 0.000 0.306 413 I C -1.729 174.348 176.117 -0.066 0.000 1.110 413 I CA -1.291 59.945 61.300 -0.106 0.000 1.019 413 I CB 1.967 39.690 38.000 -0.462 0.000 1.227 413 I HN 0.461 nan 8.210 nan 0.000 0.434 414 L N 4.864 125.848 121.223 -0.398 0.000 2.322 414 L HA 0.696 5.040 4.340 0.006 0.000 0.281 414 L C -1.121 175.656 176.870 -0.154 0.000 1.014 414 L CA -0.440 54.077 54.840 -0.539 0.000 0.815 414 L CB 1.772 43.093 42.059 -1.231 0.000 1.247 414 L HN 0.535 nan 8.230 nan 0.000 0.421 415 V N 5.047 124.967 119.914 0.009 0.000 2.417 415 V HA 0.944 5.067 4.120 0.006 0.000 0.291 415 V C 0.095 176.290 176.094 0.169 0.000 1.024 415 V CA -0.014 62.373 62.300 0.145 0.000 0.861 415 V CB 0.942 32.911 31.823 0.243 0.000 0.985 415 V HN 1.031 nan 8.190 nan 0.000 0.436 416 A N 3.344 126.235 122.820 0.118 0.000 2.569 416 A HA 1.058 5.382 4.320 0.006 0.000 0.290 416 A C -0.042 177.611 177.584 0.115 0.000 1.136 416 A CA -0.249 51.805 52.037 0.028 0.000 0.710 416 A CB 1.899 20.862 19.000 -0.062 0.000 1.303 416 A HN 2.206 nan 8.150 nan 0.000 0.413 417 G N -0.809 108.037 108.800 0.076 0.000 2.617 417 G HA2 0.318 4.282 3.960 0.006 0.000 0.686 417 G HA3 0.318 4.282 3.960 0.006 0.000 0.686 417 G C 0.564 175.606 174.900 0.237 0.000 1.214 417 G CA 0.423 45.610 45.100 0.145 0.000 0.796 417 G HN 2.134 nan 8.290 nan 0.000 0.654 418 S N -0.523 115.346 115.700 0.282 0.000 2.442 418 S HA -0.125 4.349 4.470 0.006 0.000 0.236 418 S C 1.405 176.200 174.600 0.325 0.000 1.007 418 S CA 2.173 60.568 58.200 0.325 0.000 0.965 418 S CB -0.161 63.304 63.200 0.442 0.000 0.773 418 S HN 0.866 nan 8.310 nan 0.000 0.504 419 H N 0.143 119.361 119.070 0.247 0.000 2.652 419 H HA 0.627 5.186 4.556 0.006 0.000 0.274 419 H C 1.924 177.342 175.328 0.150 0.000 1.021 419 H CA 0.074 56.269 56.048 0.245 0.000 1.187 419 H CB 0.025 29.926 29.762 0.233 0.000 1.505 419 H HN 0.489 nan 8.280 nan 0.000 0.530 420 A N -0.007 122.967 122.820 0.257 0.000 2.014 420 A HA -0.064 4.260 4.320 0.006 0.000 0.218 420 A C 0.669 178.265 177.584 0.019 0.000 1.163 420 A CA 1.581 53.727 52.037 0.182 0.000 0.652 420 A CB 0.214 19.396 19.000 0.303 0.000 0.808 420 A HN 0.262 nan 8.150 nan 0.000 0.449 421 D N -0.658 119.710 120.400 -0.053 0.000 2.879 421 D HA 0.178 4.821 4.640 0.006 0.000 0.351 421 D C -1.084 175.109 176.300 -0.178 0.000 1.239 421 D CA -0.270 53.590 54.000 -0.233 0.000 0.771 421 D CB -0.158 40.267 40.800 -0.625 0.000 1.176 421 D HN 0.138 nan 8.370 nan 0.000 0.496 422 N N 2.122 120.738 118.700 -0.140 0.000 2.621 422 N HA 0.055 4.799 4.740 0.006 0.000 0.271 422 N C 0.374 175.807 175.510 -0.129 0.000 1.181 422 N CA -0.388 52.522 53.050 -0.233 0.000 0.805 422 N CB 1.069 39.255 38.487 -0.502 0.000 1.351 422 N HN 0.162 nan 8.380 nan 0.000 0.539 423 L N 3.733 124.895 121.223 -0.102 0.000 2.046 423 L HA 0.125 4.469 4.340 0.006 0.000 0.208 423 L C 2.100 178.966 176.870 -0.007 0.000 1.077 423 L CA 2.401 57.213 54.840 -0.046 0.000 0.747 423 L CB -0.609 41.418 42.059 -0.054 0.000 0.896 423 L HN 0.647 nan 8.230 nan 0.000 0.432 424 G N -1.552 107.232 108.800 -0.026 0.000 2.440 424 G HA2 -0.320 3.643 3.960 0.006 0.000 0.218 424 G HA3 -0.320 3.643 3.960 0.006 0.000 0.218 424 G C 1.585 176.586 174.900 0.168 0.000 1.154 424 G CA 1.167 46.295 45.100 0.047 0.000 0.767 424 G HN 0.539 nan 8.290 nan 0.000 0.552 425 Y N 1.165 121.415 120.300 -0.082 0.000 2.224 425 Y HA -0.208 4.345 4.550 0.006 0.000 0.289 425 Y C 3.276 179.196 175.900 0.033 0.000 1.146 425 Y CA 1.229 59.280 58.100 -0.081 0.000 1.182 425 Y CB 0.005 38.273 38.460 -0.319 0.000 0.983 425 Y HN 0.415 nan 8.280 nan 0.000 0.524 426 Q N -0.954 118.967 119.800 0.202 0.000 2.369 426 Q HA -0.107 4.237 4.340 0.006 0.000 0.206 426 Q C 1.928 178.002 176.000 0.123 0.000 0.963 426 Q CA 1.347 57.248 55.803 0.163 0.000 0.894 426 Q CB -0.472 28.339 28.738 0.122 0.000 0.965 426 Q HN 0.408 nan 8.270 nan 0.000 0.475 427 C N 0.476 119.842 119.300 0.109 0.000 2.504 427 C HA 0.387 4.850 4.460 0.006 0.000 0.279 427 C C 1.527 176.618 174.990 0.168 0.000 1.358 427 C CA 0.545 59.641 59.018 0.129 0.000 1.747 427 C CB -0.891 26.909 27.740 0.099 0.000 2.037 427 C HN 0.896 nan 8.230 nan 0.000 0.503 428 G N 0.129 108.968 108.800 0.065 0.000 2.645 428 G HA2 0.112 4.075 3.960 0.006 0.000 0.239 428 G HA3 0.112 4.075 3.960 0.006 0.000 0.239 428 G C 0.157 175.007 174.900 -0.082 0.000 1.331 428 G CA -0.402 44.620 45.100 -0.131 0.000 0.890 428 G HN 0.877 nan 8.290 nan 0.000 0.572 429 G N -2.700 105.900 108.800 -0.335 0.000 2.684 429 G HA2 0.460 4.423 3.960 0.006 0.000 0.255 429 G HA3 0.460 4.423 3.960 0.006 0.000 0.255 429 G C 0.453 175.478 174.900 0.207 0.000 1.219 429 G CA 0.639 45.625 45.100 -0.191 0.000 0.901 429 G HN 1.781 nan 8.290 nan 0.000 0.548 430 W N -1.487 119.897 121.300 0.141 0.000 5.963 430 W HA -0.174 4.490 4.660 0.006 0.000 0.400 430 W C 0.212 176.967 176.519 0.393 0.000 1.530 430 W CA 0.587 58.099 57.345 0.279 0.000 1.004 430 W CB -1.864 27.777 29.460 0.301 0.000 2.706 430 W HN 0.562 nan 8.180 nan 0.000 1.495 431 T N 0.842 115.654 114.554 0.429 0.000 3.066 431 T HA 0.389 4.743 4.350 0.006 0.000 0.318 431 T C 0.764 175.596 174.700 0.220 0.000 0.979 431 T CA -0.262 62.029 62.100 0.319 0.000 1.025 431 T CB 1.515 70.532 68.868 0.248 0.000 1.002 431 T HN 0.093 nan 8.240 nan 0.000 0.453 432 I N -0.439 120.265 120.570 0.224 0.000 4.381 432 I HA -0.250 3.924 4.170 0.006 0.000 0.070 432 I C 0.599 176.856 176.117 0.234 0.000 0.586 432 I CA 1.695 63.126 61.300 0.219 0.000 1.055 432 I CB -1.290 36.820 38.000 0.183 0.000 0.943 432 I HN 0.544 nan 8.210 nan 0.000 0.171 433 E N -0.008 120.311 120.200 0.199 0.000 2.222 433 E HA 0.101 4.455 4.350 0.006 0.000 0.267 433 E C 0.453 177.173 176.600 0.199 0.000 0.963 433 E CA -0.493 56.022 56.400 0.192 0.000 0.837 433 E CB 0.910 30.688 29.700 0.130 0.000 1.183 433 E HN 0.310 nan 8.360 nan 0.000 0.403 434 W N 2.275 123.538 121.300 -0.062 0.000 2.317 434 W HA -0.203 4.461 4.660 0.006 0.000 0.318 434 W C 1.317 177.579 176.519 -0.430 0.000 1.227 434 W CA 1.673 58.825 57.345 -0.321 0.000 1.269 434 W CB 0.067 29.317 29.460 -0.350 0.000 1.155 434 W HN 0.389 nan 8.180 nan 0.000 0.484 435 Q N 0.626 120.223 119.800 -0.339 0.000 2.365 435 Q HA 0.237 4.580 4.340 0.006 0.000 0.203 435 Q C 1.127 176.989 176.000 -0.229 0.000 0.929 435 Q CA 1.004 56.525 55.803 -0.469 0.000 0.948 435 Q CB -0.428 28.095 28.738 -0.359 0.000 1.043 435 Q HN 0.380 nan 8.270 nan 0.000 0.505 436 G N 1.488 110.229 108.800 -0.099 0.000 2.698 436 G HA2 -0.217 3.747 3.960 0.006 0.000 0.233 436 G HA3 -0.217 3.747 3.960 0.006 0.000 0.233 436 G C -0.608 174.306 174.900 0.024 0.000 1.352 436 G CA 0.049 45.150 45.100 0.002 0.000 0.879 436 G HN 0.357 nan 8.290 nan 0.000 0.567 437 D N -2.839 117.595 120.400 0.057 0.000 2.738 437 D HA 0.629 5.273 4.640 0.006 0.000 0.308 437 D C -0.493 175.856 176.300 0.081 0.000 1.311 437 D CA 0.593 54.630 54.000 0.062 0.000 0.799 437 D CB 1.284 42.117 40.800 0.055 0.000 1.332 437 D HN 0.764 nan 8.370 nan 0.000 0.441 438 T N -0.261 114.306 114.554 0.023 0.000 2.895 438 T HA 0.687 5.040 4.350 0.006 0.000 0.283 438 T C 0.424 175.027 174.700 -0.162 0.000 1.014 438 T CA 1.166 63.194 62.100 -0.119 0.000 1.037 438 T CB 0.475 69.243 68.868 -0.166 0.000 1.006 438 T HN 0.917 nan 8.240 nan 0.000 0.468 439 G N 3.301 111.944 108.800 -0.262 0.000 2.545 439 G HA2 -0.170 3.794 3.960 0.006 0.000 0.216 439 G HA3 -0.170 3.794 3.960 0.006 0.000 0.216 439 G C -0.358 174.480 174.900 -0.104 0.000 1.314 439 G CA -0.122 44.868 45.100 -0.184 0.000 0.906 439 G HN 0.922 nan 8.290 nan 0.000 0.563 440 R N 0.903 121.365 120.500 -0.065 0.000 2.891 440 R HA 0.499 4.843 4.340 0.006 0.000 0.248 440 R C 1.818 178.134 176.300 0.025 0.000 1.439 440 R CA 0.902 56.986 56.100 -0.028 0.000 1.288 440 R CB -0.353 29.933 30.300 -0.024 0.000 1.212 440 R HN 0.813 nan 8.270 nan 0.000 0.605 441 T N -1.603 112.971 114.554 0.032 0.000 3.057 441 T HA 0.075 4.428 4.350 0.006 0.000 0.254 441 T C 0.831 175.623 174.700 0.154 0.000 1.094 441 T CA 0.516 62.668 62.100 0.087 0.000 1.088 441 T CB 0.406 69.316 68.868 0.069 0.000 0.934 441 T HN 0.377 nan 8.240 nan 0.000 0.497 442 T N -0.053 114.539 114.554 0.063 0.000 2.637 442 T HA 0.506 4.859 4.350 0.006 0.000 0.303 442 T C -1.708 172.882 174.700 -0.183 0.000 1.288 442 T CA -0.547 61.495 62.100 -0.096 0.000 1.040 442 T CB 1.352 70.129 68.868 -0.153 0.000 1.644 442 T HN -0.041 nan 8.240 nan 0.000 0.480 443 V N 1.833 121.528 119.914 -0.365 0.000 2.461 443 V HA 0.719 4.842 4.120 0.006 0.000 0.275 443 V C 1.033 177.020 176.094 -0.177 0.000 1.047 443 V CA 0.798 62.952 62.300 -0.243 0.000 0.955 443 V CB 0.285 31.937 31.823 -0.285 0.000 0.988 443 V HN 1.172 nan 8.190 nan 0.000 0.471 444 G N 3.490 112.217 108.800 -0.122 0.000 2.428 444 G HA2 0.537 4.500 3.960 0.006 0.000 0.304 444 G HA3 0.537 4.500 3.960 0.006 0.000 0.304 444 G C -1.090 173.763 174.900 -0.078 0.000 1.303 444 G CA -0.448 44.587 45.100 -0.108 0.000 0.825 444 G HN 0.477 nan 8.290 nan 0.000 0.484 445 T N 1.172 115.686 114.554 -0.067 0.000 2.847 445 T HA 0.616 4.969 4.350 0.006 0.000 0.291 445 T C 0.536 175.213 174.700 -0.039 0.000 0.998 445 T CA 0.029 62.100 62.100 -0.049 0.000 0.967 445 T CB 1.143 69.989 68.868 -0.037 0.000 0.954 445 T HN 1.006 nan 8.240 nan 0.000 0.441 446 T N 0.755 115.282 114.554 -0.046 0.000 2.754 446 T HA 0.450 4.803 4.350 0.006 0.000 0.286 446 T C 1.732 176.424 174.700 -0.013 0.000 0.997 446 T CA -0.752 61.325 62.100 -0.039 0.000 0.982 446 T CB 0.430 69.248 68.868 -0.084 0.000 1.027 446 T HN 0.419 nan 8.240 nan 0.000 0.529 447 I N 0.329 120.906 120.570 0.012 0.000 2.226 447 I HA -0.102 4.072 4.170 0.006 0.000 0.245 447 I C 2.437 178.580 176.117 0.042 0.000 1.100 447 I CA 1.103 62.432 61.300 0.048 0.000 1.374 447 I CB -0.530 37.516 38.000 0.077 0.000 1.057 447 I HN 0.530 nan 8.210 nan 0.000 0.413 448 L N 1.057 122.269 121.223 -0.018 0.000 2.012 448 L HA -0.248 4.096 4.340 0.006 0.000 0.210 448 L C 2.345 179.198 176.870 -0.029 0.000 1.073 448 L CA 1.983 56.794 54.840 -0.048 0.000 0.748 448 L CB -0.646 41.260 42.059 -0.256 0.000 0.891 448 L HN 0.200 nan 8.230 nan 0.000 0.431 449 E N -0.536 119.632 120.200 -0.054 0.000 2.110 449 E HA -0.207 4.147 4.350 0.006 0.000 0.193 449 E C 2.166 178.767 176.600 0.002 0.000 0.988 449 E CA 1.149 57.527 56.400 -0.036 0.000 0.804 449 E CB -0.328 29.342 29.700 -0.050 0.000 0.745 449 E HN 0.682 nan 8.360 nan 0.000 0.458 450 A N 0.722 123.558 122.820 0.026 0.000 1.898 450 A HA -0.127 4.197 4.320 0.006 0.000 0.216 450 A C 2.478 180.123 177.584 0.102 0.000 1.181 450 A CA 1.016 53.089 52.037 0.060 0.000 0.620 450 A CB -0.587 18.460 19.000 0.078 0.000 0.819 450 A HN 0.115 nan 8.150 nan 0.000 0.442 451 V N 0.305 120.306 119.914 0.145 0.000 2.287 451 V HA -0.304 3.819 4.120 0.006 0.000 0.248 451 V C 2.452 178.585 176.094 0.065 0.000 1.053 451 V CA 2.453 64.878 62.300 0.208 0.000 1.027 451 V CB -0.702 31.279 31.823 0.263 0.000 0.646 451 V HN 0.557 nan 8.190 nan 0.000 0.447 452 K N 0.217 120.643 120.400 0.043 0.000 2.147 452 K HA -0.106 4.217 4.320 0.006 0.000 0.205 452 K C 2.141 178.730 176.600 -0.018 0.000 1.049 452 K CA 1.440 57.732 56.287 0.009 0.000 0.936 452 K CB -0.364 32.140 32.500 0.006 0.000 0.722 452 K HN 0.492 nan 8.250 nan 0.000 0.446 453 A N 0.731 123.543 122.820 -0.013 0.000 2.119 453 A HA 0.072 4.395 4.320 0.006 0.000 0.216 453 A C 2.086 179.641 177.584 -0.049 0.000 1.152 453 A CA 1.396 53.420 52.037 -0.023 0.000 0.708 453 A CB -0.214 18.782 19.000 -0.007 0.000 0.805 453 A HN 0.308 nan 8.150 nan 0.000 0.460 454 A N -0.263 122.504 122.820 -0.090 0.000 1.973 454 A HA 0.407 4.730 4.320 0.006 0.000 0.210 454 A C 1.198 178.596 177.584 -0.310 0.000 1.200 454 A CA 0.742 52.666 52.037 -0.189 0.000 0.707 454 A CB -0.881 17.982 19.000 -0.227 0.000 0.862 454 A HN 0.877 nan 8.150 nan 0.000 0.461 455 V N -0.426 119.298 119.914 -0.317 0.000 3.003 455 V HA 0.341 4.465 4.120 0.006 0.000 0.305 455 V C -0.030 175.975 176.094 -0.147 0.000 1.078 455 V CA -0.736 61.386 62.300 -0.296 0.000 1.083 455 V CB 0.383 32.087 31.823 -0.199 0.000 1.039 455 V HN 0.405 nan 8.190 nan 0.000 0.481 456 D N 3.867 124.202 120.400 -0.109 0.000 2.478 456 D HA 0.118 4.762 4.640 0.006 0.000 0.234 456 D C -1.235 175.041 176.300 -0.040 0.000 1.154 456 D CA -0.556 53.409 54.000 -0.058 0.000 0.874 456 D CB 1.048 41.829 40.800 -0.032 0.000 1.198 456 D HN 0.540 nan 8.370 nan 0.000 0.455 457 P HA -0.169 nan 4.420 nan 0.000 0.219 457 P C 0.869 178.163 177.300 -0.011 0.000 1.146 457 P CA 0.995 64.084 63.100 -0.019 0.000 0.808 457 P CB -0.085 31.605 31.700 -0.016 0.000 0.779 458 S N -1.453 114.241 115.700 -0.009 0.000 2.522 458 S HA -0.020 4.453 4.470 0.006 0.000 0.227 458 S C 1.098 175.698 174.600 -0.000 0.000 0.986 458 S CA 0.354 58.552 58.200 -0.004 0.000 0.929 458 S CB -1.444 61.755 63.200 -0.002 0.000 0.769 458 S HN 0.270 nan 8.310 nan 0.000 0.529 459 T N 1.888 116.441 114.554 -0.001 0.000 2.749 459 T HA 0.483 4.837 4.350 0.006 0.000 0.295 459 T C -0.282 174.425 174.700 0.013 0.000 0.936 459 T CA -0.632 61.471 62.100 0.005 0.000 1.060 459 T CB 0.757 69.631 68.868 0.011 0.000 0.904 459 T HN 0.076 nan 8.240 nan 0.000 0.500 460 V N 6.233 126.160 119.914 0.020 0.000 2.455 460 V HA 0.286 4.409 4.120 0.006 0.000 0.273 460 V C 0.317 176.454 176.094 0.072 0.000 1.045 460 V CA -0.538 61.786 62.300 0.041 0.000 0.976 460 V CB 1.041 32.884 31.823 0.033 0.000 0.993 460 V HN 0.820 nan 8.190 nan 0.000 0.475 461 V N 6.339 126.303 119.914 0.084 0.000 2.370 461 V HA 0.402 4.526 4.120 0.006 0.000 0.283 461 V C -0.019 176.171 176.094 0.160 0.000 1.023 461 V CA -0.508 61.858 62.300 0.111 0.000 0.857 461 V CB 1.672 33.551 31.823 0.093 0.000 0.985 461 V HN 0.595 nan 8.190 nan 0.000 0.443 462 V N 5.733 125.774 119.914 0.212 0.000 2.417 462 V HA 0.450 4.573 4.120 0.006 0.000 0.291 462 V C -0.542 175.703 176.094 0.252 0.000 1.024 462 V CA -0.557 61.906 62.300 0.272 0.000 0.861 462 V CB 1.608 33.702 31.823 0.452 0.000 0.985 462 V HN 0.707 nan 8.190 nan 0.000 0.436 463 F N 4.639 124.646 119.950 0.096 0.000 2.420 463 F HA 0.800 5.331 4.527 0.006 0.000 0.342 463 F C 0.123 175.939 175.800 0.025 0.000 1.113 463 F CA -0.857 57.170 58.000 0.045 0.000 1.059 463 F CB 1.222 40.239 39.000 0.028 0.000 1.128 463 F HN 0.547 nan 8.300 nan 0.000 0.475 464 A N 5.684 128.016 122.820 -0.813 0.000 2.414 464 A HA 0.329 4.652 4.320 0.006 0.000 0.286 464 A C 0.608 177.602 177.584 -0.984 0.000 1.073 464 A CA -0.485 51.031 52.037 -0.868 0.000 0.727 464 A CB 0.925 19.558 19.000 -0.610 0.000 1.215 464 A HN 0.943 nan 8.150 nan 0.000 0.430 465 E N 1.746 121.352 120.200 -0.990 0.000 2.077 465 E HA -0.184 4.170 4.350 0.006 0.000 0.193 465 E C 0.176 176.638 176.600 -0.231 0.000 0.989 465 E CA 1.445 57.551 56.400 -0.489 0.000 0.800 465 E CB 0.070 29.658 29.700 -0.186 0.000 0.746 465 E HN 0.612 nan 8.360 nan 0.000 0.452 466 N N 0.503 119.061 118.700 -0.237 0.000 2.726 466 N HA 0.174 4.917 4.740 0.006 0.000 0.253 466 N C -2.781 172.624 175.510 -0.175 0.000 1.530 466 N CA -1.383 51.583 53.050 -0.141 0.000 0.772 466 N CB 1.087 39.532 38.487 -0.072 0.000 1.220 466 N HN -0.018 nan 8.380 nan 0.000 0.508 467 P HA 0.233 nan 4.420 nan 0.000 0.275 467 P C -0.547 176.720 177.300 -0.054 0.000 1.228 467 P CA -0.150 62.809 63.100 -0.237 0.000 0.786 467 P CB 0.989 32.578 31.700 -0.185 0.000 0.927 468 D N 0.513 120.910 120.400 -0.006 0.000 2.383 468 D HA 0.240 4.884 4.640 0.006 0.000 0.248 468 D C 1.274 177.647 176.300 0.122 0.000 1.170 468 D CA -0.658 53.373 54.000 0.052 0.000 0.977 468 D CB 0.239 41.064 40.800 0.042 0.000 1.120 468 D HN 0.292 nan 8.370 nan 0.000 0.481 469 A N 0.347 123.220 122.820 0.089 0.000 1.917 469 A HA -0.289 4.035 4.320 0.006 0.000 0.219 469 A C 1.990 179.643 177.584 0.115 0.000 1.182 469 A CA 2.090 54.183 52.037 0.092 0.000 0.633 469 A CB -1.031 18.004 19.000 0.060 0.000 0.819 469 A HN 0.814 nan 8.150 nan 0.000 0.448 470 E N -1.545 118.722 120.200 0.113 0.000 2.106 470 E HA -0.179 4.174 4.350 0.006 0.000 0.192 470 E C 1.748 178.429 176.600 0.134 0.000 0.984 470 E CA 1.075 57.535 56.400 0.100 0.000 0.806 470 E CB -0.238 29.511 29.700 0.081 0.000 0.750 470 E HN 0.633 nan 8.360 nan 0.000 0.458 471 F N 0.711 120.691 119.950 0.051 0.000 2.126 471 F HA -0.235 4.295 4.527 0.006 0.000 0.299 471 F C 1.916 177.814 175.800 0.164 0.000 1.096 471 F CA 1.445 59.493 58.000 0.081 0.000 1.255 471 F CB -0.186 38.855 39.000 0.069 0.000 0.997 471 F HN -0.108 nan 8.300 nan 0.000 0.479 472 V N 0.252 120.346 119.914 0.301 0.000 2.323 472 V HA -0.259 3.864 4.120 0.006 0.000 0.244 472 V C 2.338 178.538 176.094 0.177 0.000 1.041 472 V CA 2.146 64.619 62.300 0.288 0.000 1.025 472 V CB -0.793 31.163 31.823 0.221 0.000 0.656 472 V HN 0.204 nan 8.190 nan 0.000 0.451 473 K N 1.579 122.038 120.400 0.097 0.000 2.097 473 K HA -0.148 4.175 4.320 0.006 0.000 0.206 473 K C 2.077 178.665 176.600 -0.019 0.000 1.049 473 K CA 1.866 58.181 56.287 0.047 0.000 0.933 473 K CB -0.410 32.113 32.500 0.039 0.000 0.717 473 K HN 0.618 nan 8.250 nan 0.000 0.442 474 S N -1.926 113.731 115.700 -0.071 0.000 2.556 474 S HA 0.159 4.633 4.470 0.006 0.000 0.216 474 S C 1.771 176.205 174.600 -0.277 0.000 0.970 474 S CA 0.047 58.165 58.200 -0.136 0.000 0.912 474 S CB 0.532 63.671 63.200 -0.102 0.000 0.790 474 S HN 0.310 nan 8.310 nan 0.000 0.504 475 G N 1.192 109.748 108.800 -0.406 0.000 2.650 475 G HA2 0.368 4.331 3.960 0.006 0.000 0.214 475 G HA3 0.368 4.331 3.960 0.006 0.000 0.214 475 G C 1.143 175.436 174.900 -1.011 0.000 1.136 475 G CA 0.033 44.599 45.100 -0.888 0.000 0.789 475 G HN 1.395 nan 8.290 nan 0.000 0.536 476 G N -0.557 107.908 108.800 -0.557 0.000 2.246 476 G HA2 -0.277 3.686 3.960 0.006 0.000 0.273 476 G HA3 -0.277 3.686 3.960 0.006 0.000 0.273 476 G C 0.093 174.766 174.900 -0.379 0.000 1.055 476 G CA -0.127 44.743 45.100 -0.383 0.000 0.851 476 G HN 0.376 nan 8.290 nan 0.000 0.500 477 F N 0.122 120.017 119.950 -0.092 0.000 2.384 477 F HA 0.466 4.997 4.527 0.006 0.000 0.338 477 F C 1.742 177.500 175.800 -0.069 0.000 1.103 477 F CA 0.014 57.956 58.000 -0.096 0.000 1.157 477 F CB 1.537 40.485 39.000 -0.086 0.000 1.167 477 F HN 0.039 nan 8.300 nan 0.000 0.529 478 S N 1.027 116.783 115.700 0.094 0.000 2.406 478 S HA 0.006 4.480 4.470 0.006 0.000 0.224 478 S C -0.762 173.959 174.600 0.202 0.000 1.030 478 S CA 0.718 58.973 58.200 0.092 0.000 0.958 478 S CB -0.100 63.135 63.200 0.057 0.000 0.811 478 S HN 0.640 nan 8.310 nan 0.000 0.489 479 Y N -2.014 118.371 120.300 0.141 0.000 2.779 479 Y HA 0.759 5.313 4.550 0.006 0.000 0.340 479 Y C -1.162 174.756 175.900 0.030 0.000 1.252 479 Y CA -1.907 56.241 58.100 0.080 0.000 1.072 479 Y CB 0.519 39.018 38.460 0.065 0.000 1.343 479 Y HN -0.072 nan 8.280 nan 0.000 0.450 480 A N 1.188 124.147 122.820 0.232 0.000 2.435 480 A HA 0.852 5.175 4.320 0.006 0.000 0.304 480 A C -1.696 175.985 177.584 0.162 0.000 1.064 480 A CA -0.889 51.196 52.037 0.081 0.000 0.727 480 A CB 1.231 20.203 19.000 -0.048 0.000 1.284 480 A HN 0.718 nan 8.150 nan 0.000 0.415 481 I N 1.706 122.350 120.570 0.124 0.000 2.382 481 I HA 0.461 4.635 4.170 0.006 0.000 0.286 481 I C -0.739 175.421 176.117 0.071 0.000 1.002 481 I CA -0.808 60.549 61.300 0.095 0.000 1.135 481 I CB 1.794 39.866 38.000 0.119 0.000 1.288 481 I HN 0.384 nan 8.210 nan 0.000 0.448 482 V N 6.621 126.564 119.914 0.048 0.000 2.487 482 V HA 0.849 4.973 4.120 0.006 0.000 0.298 482 V C -0.501 175.625 176.094 0.054 0.000 1.028 482 V CA -0.175 62.156 62.300 0.051 0.000 0.860 482 V CB 1.621 33.459 31.823 0.025 0.000 0.991 482 V HN 0.776 nan 8.190 nan 0.000 0.427 483 A N 6.773 129.651 122.820 0.096 0.000 2.319 483 A HA 0.907 5.231 4.320 0.006 0.000 0.310 483 A C -0.629 177.027 177.584 0.119 0.000 1.152 483 A CA -0.047 52.050 52.037 0.101 0.000 0.783 483 A CB 1.505 20.597 19.000 0.154 0.000 1.184 483 A HN 1.893 nan 8.150 nan 0.000 0.474 484 V N -0.228 119.662 119.914 -0.040 0.000 3.182 484 V HA 1.076 5.199 4.120 0.006 0.000 0.308 484 V C 0.212 175.913 176.094 -0.655 0.000 1.240 484 V CA -0.006 62.169 62.300 -0.208 0.000 1.063 484 V CB 1.169 32.957 31.823 -0.059 0.000 1.076 484 V HN 2.423 nan 8.190 nan 0.000 0.446 485 G N 0.229 108.545 108.800 -0.807 0.000 2.373 485 G HA2 0.220 4.184 3.960 0.006 0.000 0.250 485 G HA3 0.220 4.184 3.960 0.006 0.000 0.250 485 G C -1.184 173.544 174.900 -0.287 0.000 1.304 485 G CA -0.334 44.457 45.100 -0.514 0.000 0.948 485 G HN 0.980 nan 8.290 nan 0.000 0.474 486 E N 0.190 120.337 120.200 -0.089 0.000 2.373 486 E HA 0.412 4.765 4.350 0.006 0.000 0.263 486 E C -0.278 176.370 176.600 0.081 0.000 1.073 486 E CA -0.250 56.147 56.400 -0.004 0.000 0.894 486 E CB 0.713 30.495 29.700 0.138 0.000 1.008 486 E HN 0.513 nan 8.360 nan 0.000 0.420 487 H N 0.830 119.839 119.070 -0.101 0.000 2.508 487 H HA 0.205 4.764 4.556 0.006 0.000 0.358 487 H C -2.035 173.189 175.328 -0.173 0.000 1.212 487 H CA -2.358 53.468 56.048 -0.369 0.000 1.356 487 H CB 0.453 30.026 29.762 -0.315 0.000 1.525 487 H HN 0.245 nan 8.280 nan 0.000 0.578 488 P HA -0.016 nan 4.420 nan 0.000 0.268 488 P C -1.359 175.868 177.300 -0.123 0.000 1.205 488 P CA 0.502 63.486 63.100 -0.193 0.000 0.771 488 P CB 0.230 31.877 31.700 -0.089 0.000 0.858 489 Y N -1.561 118.627 120.300 -0.187 0.000 2.656 489 Y HA 0.800 5.354 4.550 0.006 0.000 0.334 489 Y C -1.138 174.613 175.900 -0.248 0.000 1.179 489 Y CA -1.073 56.893 58.100 -0.222 0.000 1.050 489 Y CB 0.625 38.991 38.460 -0.156 0.000 1.308 489 Y HN 0.184 nan 8.280 nan 0.000 0.456 490 T N 1.686 116.106 114.554 -0.224 0.000 2.993 490 T HA 0.456 4.809 4.350 0.006 0.000 0.312 490 T C -0.781 173.657 174.700 -0.436 0.000 1.115 490 T CA -0.342 61.488 62.100 -0.450 0.000 1.027 490 T CB 2.247 70.416 68.868 -1.165 0.000 1.116 490 T HN 0.945 nan 8.240 nan 0.000 0.464 491 E N 0.487 120.526 120.200 -0.268 0.000 3.333 491 E HA -0.278 4.075 4.350 0.006 0.000 0.342 491 E C 1.108 177.621 176.600 -0.146 0.000 1.501 491 E CA 1.587 57.887 56.400 -0.167 0.000 1.770 491 E CB -1.253 28.453 29.700 0.010 0.000 1.817 491 E HN 0.687 nan 8.360 nan 0.000 0.485 492 T N 0.969 115.473 114.554 -0.084 0.000 2.833 492 T HA -0.132 4.221 4.350 0.006 0.000 0.269 492 T C 1.419 176.054 174.700 -0.108 0.000 1.054 492 T CA 1.414 63.479 62.100 -0.058 0.000 1.135 492 T CB -0.104 68.751 68.868 -0.022 0.000 0.869 492 T HN 0.168 nan 8.240 nan 0.000 0.466 493 K N 0.900 121.204 120.400 -0.160 0.000 2.281 493 K HA -0.025 4.299 4.320 0.006 0.000 0.203 493 K C 2.331 178.817 176.600 -0.190 0.000 1.046 493 K CA 1.112 57.302 56.287 -0.161 0.000 0.938 493 K CB -0.618 31.761 32.500 -0.201 0.000 0.737 493 K HN 0.480 nan 8.250 nan 0.000 0.458 494 G N 0.832 109.498 108.800 -0.224 0.000 2.777 494 G HA2 -0.075 3.888 3.960 0.006 0.000 0.211 494 G HA3 -0.075 3.888 3.960 0.006 0.000 0.211 494 G C -0.014 174.611 174.900 -0.458 0.000 1.149 494 G CA -0.253 44.509 45.100 -0.563 0.000 0.785 494 G HN 0.164 nan 8.290 nan 0.000 0.536 495 D N 1.040 121.309 120.400 -0.218 0.000 2.493 495 D HA 0.176 4.820 4.640 0.006 0.000 0.240 495 D C -0.145 176.064 176.300 -0.152 0.000 1.142 495 D CA 0.618 54.550 54.000 -0.115 0.000 0.872 495 D CB 0.772 41.554 40.800 -0.031 0.000 1.173 495 D HN 0.133 nan 8.370 nan 0.000 0.467 496 N N 2.669 121.295 118.700 -0.125 0.000 2.616 496 N HA 0.088 4.831 4.740 0.006 0.000 0.281 496 N C -0.120 175.335 175.510 -0.092 0.000 1.145 496 N CA -0.371 52.601 53.050 -0.130 0.000 0.919 496 N CB 0.899 39.273 38.487 -0.188 0.000 1.509 496 N HN 0.196 nan 8.380 nan 0.000 0.537 497 L N 2.343 123.518 121.223 -0.080 0.000 2.509 497 L HA 0.096 4.439 4.340 0.006 0.000 0.222 497 L C 1.392 178.210 176.870 -0.086 0.000 1.123 497 L CA 0.642 55.434 54.840 -0.080 0.000 0.856 497 L CB -0.094 41.925 42.059 -0.066 0.000 0.985 497 L HN 0.564 nan 8.230 nan 0.000 0.456 498 N N -0.429 118.230 118.700 -0.070 0.000 2.407 498 N HA 0.009 4.752 4.740 0.006 0.000 0.182 498 N C 0.901 176.400 175.510 -0.018 0.000 1.079 498 N CA -0.280 52.741 53.050 -0.048 0.000 0.882 498 N CB -0.005 38.462 38.487 -0.034 0.000 1.106 498 N HN 0.024 nan 8.380 nan 0.000 0.461 499 L N 1.110 122.322 121.223 -0.017 0.000 3.742 499 L HA -0.214 4.129 4.340 0.006 0.000 0.431 499 L C -0.495 176.430 176.870 0.093 0.000 1.220 499 L CA 0.833 55.701 54.840 0.047 0.000 0.863 499 L CB -2.639 39.493 42.059 0.121 0.000 1.751 499 L HN 0.655 nan 8.230 nan 0.000 0.922 500 T N -1.376 113.201 114.554 0.039 0.000 2.859 500 T HA 0.694 5.047 4.350 0.006 0.000 0.281 500 T C 0.341 175.039 174.700 -0.002 0.000 1.005 500 T CA -0.820 61.305 62.100 0.041 0.000 1.025 500 T CB 2.005 70.894 68.868 0.035 0.000 0.977 500 T HN 0.322 nan 8.240 nan 0.000 0.458 501 I N 1.721 122.289 120.570 -0.004 0.000 2.754 501 I HA 0.457 4.630 4.170 0.006 0.000 0.285 501 I C -2.107 173.966 176.117 -0.073 0.000 1.166 501 I CA -2.068 59.200 61.300 -0.052 0.000 1.417 501 I CB -0.054 37.913 38.000 -0.054 0.000 1.382 501 I HN 0.422 nan 8.210 nan 0.000 0.588 502 P HA 0.132 nan 4.420 nan 0.000 0.270 502 P C -0.814 176.468 177.300 -0.029 0.000 1.223 502 P CA 0.030 63.053 63.100 -0.128 0.000 0.785 502 P CB 0.580 32.081 31.700 -0.332 0.000 0.923 503 E N 1.528 121.735 120.200 0.012 0.000 2.222 503 E HA 0.366 4.719 4.350 0.006 0.000 0.272 503 E C -1.838 174.814 176.600 0.086 0.000 0.982 503 E CA -1.794 54.632 56.400 0.045 0.000 0.842 503 E CB 0.075 29.793 29.700 0.030 0.000 1.144 503 E HN 0.431 nan 8.360 nan 0.000 0.397 504 P HA 0.279 nan 4.420 nan 0.000 0.276 504 P C -0.088 177.266 177.300 0.090 0.000 1.243 504 P CA -0.151 62.992 63.100 0.072 0.000 0.768 504 P CB 1.311 33.047 31.700 0.060 0.000 0.856 505 G N 1.586 110.420 108.800 0.056 0.000 2.789 505 G HA2 -0.058 3.906 3.960 0.006 0.000 0.164 505 G HA3 -0.058 3.906 3.960 0.006 0.000 0.164 505 G C 0.722 175.634 174.900 0.021 0.000 1.279 505 G CA 0.037 45.163 45.100 0.044 0.000 0.741 505 G HN 0.455 nan 8.290 nan 0.000 0.685 506 L N 2.517 123.747 121.223 0.013 0.000 2.046 506 L HA 0.012 4.356 4.340 0.006 0.000 0.208 506 L C 2.970 179.847 176.870 0.011 0.000 1.077 506 L CA 3.071 57.915 54.840 0.008 0.000 0.747 506 L CB -0.645 41.419 42.059 0.008 0.000 0.896 506 L HN 0.377 nan 8.230 nan 0.000 0.432 507 S N -2.354 113.356 115.700 0.016 0.000 2.370 507 S HA -0.211 4.263 4.470 0.006 0.000 0.226 507 S C 1.856 176.465 174.600 0.015 0.000 1.033 507 S CA 1.682 59.891 58.200 0.016 0.000 1.011 507 S CB -1.370 61.840 63.200 0.017 0.000 0.852 507 S HN 0.552 nan 8.310 nan 0.000 0.457 508 T N 2.365 116.930 114.554 0.018 0.000 2.737 508 T HA -0.006 4.347 4.350 0.006 0.000 0.265 508 T C 1.959 176.666 174.700 0.013 0.000 1.038 508 T CA 1.356 63.465 62.100 0.014 0.000 1.144 508 T CB -0.680 68.201 68.868 0.022 0.000 0.866 508 T HN 0.275 nan 8.240 nan 0.000 0.434 509 V N 1.750 121.671 119.914 0.012 0.000 2.287 509 V HA -0.267 3.856 4.120 0.006 0.000 0.248 509 V C 2.658 178.756 176.094 0.007 0.000 1.053 509 V CA 1.792 64.096 62.300 0.005 0.000 1.027 509 V CB -0.749 31.072 31.823 -0.004 0.000 0.646 509 V HN 0.527 nan 8.190 nan 0.000 0.447 510 Q N -0.370 119.435 119.800 0.008 0.000 2.084 510 Q HA -0.187 4.157 4.340 0.006 0.000 0.202 510 Q C 2.421 178.432 176.000 0.019 0.000 0.978 510 Q CA 1.832 57.641 55.803 0.011 0.000 0.844 510 Q CB -0.433 28.311 28.738 0.010 0.000 0.898 510 Q HN 0.690 nan 8.270 nan 0.000 0.426 511 A N 0.230 123.064 122.820 0.022 0.000 1.902 511 A HA -0.133 4.190 4.320 0.006 0.000 0.217 511 A C 2.324 179.934 177.584 0.044 0.000 1.181 511 A CA 1.372 53.429 52.037 0.034 0.000 0.623 511 A CB -0.653 18.366 19.000 0.032 0.000 0.818 511 A HN 0.207 nan 8.150 nan 0.000 0.443 512 V N -0.837 119.096 119.914 0.032 0.000 2.283 512 V HA -0.278 3.845 4.120 0.006 0.000 0.243 512 V C 2.626 178.740 176.094 0.033 0.000 1.039 512 V CA 2.035 64.353 62.300 0.030 0.000 1.016 512 V CB -1.011 30.815 31.823 0.006 0.000 0.650 512 V HN 0.695 nan 8.190 nan 0.000 0.449 513 c N 0.998 119.612 118.600 0.023 0.000 2.432 513 c HA 0.002 4.576 4.570 0.006 0.000 0.280 513 c C 2.818 176.925 174.090 0.028 0.000 1.353 513 c CA 0.519 56.862 56.329 0.023 0.000 1.766 513 c CB -1.716 40.800 42.510 0.009 0.000 1.924 513 c HN 0.695 nan 8.230 nan 0.000 0.509 514 G N 0.252 109.069 108.800 0.030 0.000 2.471 514 G HA2 0.114 4.077 3.960 0.006 0.000 0.219 514 G HA3 0.114 4.077 3.960 0.006 0.000 0.219 514 G C 1.616 176.541 174.900 0.042 0.000 1.125 514 G CA 1.128 46.247 45.100 0.032 0.000 0.775 514 G HN 0.590 nan 8.290 nan 0.000 0.548 515 G N -1.465 107.369 108.800 0.056 0.000 2.762 515 G HA2 0.399 4.362 3.960 0.006 0.000 0.209 515 G HA3 0.399 4.362 3.960 0.006 0.000 0.209 515 G C -0.173 174.778 174.900 0.085 0.000 1.134 515 G CA 0.816 45.960 45.100 0.073 0.000 0.781 515 G HN 0.508 nan 8.290 nan 0.000 0.528 516 V N 0.321 120.283 119.914 0.081 0.000 3.225 516 V HA 0.452 4.575 4.120 0.006 0.000 0.293 516 V C -0.952 175.190 176.094 0.081 0.000 1.405 516 V CA -1.444 60.914 62.300 0.096 0.000 1.038 516 V CB 2.133 34.040 31.823 0.140 0.000 1.123 516 V HN 0.545 nan 8.190 nan 0.000 0.447 517 R N 3.165 123.722 120.500 0.094 0.000 2.585 517 R HA 0.439 4.782 4.340 0.006 0.000 0.275 517 R C -0.299 176.056 176.300 0.092 0.000 1.018 517 R CA 0.299 56.447 56.100 0.080 0.000 1.072 517 R CB -0.225 30.125 30.300 0.082 0.000 0.953 517 R HN 1.015 nan 8.270 nan 0.000 0.419 518 c N 0.221 118.849 118.600 0.047 0.000 2.698 518 c HA 0.861 5.434 4.570 0.006 0.000 0.309 518 c C -0.202 173.885 174.090 -0.004 0.000 1.186 518 c CA -0.848 55.504 56.329 0.038 0.000 1.474 518 c CB 1.312 43.835 42.510 0.023 0.000 2.020 518 c HN 1.004 nan 8.230 nan 0.000 0.474 519 A N 2.797 125.610 122.820 -0.011 0.000 2.258 519 A HA 0.715 5.038 4.320 0.006 0.000 0.316 519 A C 0.152 177.713 177.584 -0.037 0.000 1.279 519 A CA -0.024 51.981 52.037 -0.053 0.000 0.876 519 A CB 0.289 19.236 19.000 -0.087 0.000 1.170 519 A HN 0.974 nan 8.150 nan 0.000 0.520 520 T N 2.286 116.806 114.554 -0.057 0.000 2.771 520 T HA 0.437 4.791 4.350 0.006 0.000 0.291 520 T C -0.165 174.495 174.700 -0.066 0.000 0.954 520 T CA -0.089 61.980 62.100 -0.051 0.000 1.045 520 T CB 0.909 69.740 68.868 -0.062 0.000 0.917 520 T HN 0.370 nan 8.240 nan 0.000 0.484 521 V N 5.226 125.117 119.914 -0.038 0.000 2.334 521 V HA 0.351 4.474 4.120 0.006 0.000 0.281 521 V C -0.279 175.780 176.094 -0.058 0.000 1.016 521 V CA -0.856 61.421 62.300 -0.039 0.000 0.832 521 V CB 1.200 33.028 31.823 0.009 0.000 0.999 521 V HN 0.639 nan 8.190 nan 0.000 0.439 522 L N 7.268 128.431 121.223 -0.100 0.000 2.257 522 L HA 0.534 4.877 4.340 0.006 0.000 0.290 522 L C -0.355 176.450 176.870 -0.109 0.000 1.044 522 L CA 0.256 55.028 54.840 -0.113 0.000 0.810 522 L CB 0.736 42.733 42.059 -0.104 0.000 1.193 522 L HN 0.395 nan 8.230 nan 0.000 0.425 523 I N 5.234 125.738 120.570 -0.109 0.000 2.312 523 I HA 0.479 4.652 4.170 0.006 0.000 0.290 523 I C 0.064 176.170 176.117 -0.019 0.000 1.008 523 I CA 0.004 61.291 61.300 -0.023 0.000 1.226 523 I CB 0.721 38.775 38.000 0.090 0.000 1.371 523 I HN 0.824 nan 8.210 nan 0.000 0.468 524 S N 2.980 118.713 115.700 0.054 0.000 2.588 524 S HA 0.565 5.039 4.470 0.006 0.000 0.269 524 S C 0.230 174.953 174.600 0.206 0.000 1.157 524 S CA -0.412 57.851 58.200 0.104 0.000 0.824 524 S CB 1.539 64.793 63.200 0.089 0.000 1.126 524 S HN 0.665 nan 8.310 nan 0.000 0.464 525 G N 0.313 109.237 108.800 0.207 0.000 3.141 525 G HA2 0.484 4.447 3.960 0.006 0.000 0.218 525 G HA3 0.484 4.447 3.960 0.006 0.000 0.218 525 G C 0.310 175.425 174.900 0.357 0.000 1.170 525 G CA -0.207 45.040 45.100 0.246 0.000 0.769 525 G HN 1.043 nan 8.290 nan 0.000 0.546 526 R N -1.990 118.729 120.500 0.364 0.000 2.829 526 R HA 0.284 4.627 4.340 0.006 0.000 0.283 526 R C -3.459 172.848 176.300 0.012 0.000 1.013 526 R CA -1.511 54.740 56.100 0.251 0.000 0.848 526 R CB -0.037 30.372 30.300 0.182 0.000 1.291 526 R HN -0.174 nan 8.270 nan 0.000 0.496 527 P HA 0.092 nan 4.420 nan 0.000 0.268 527 P C -0.255 176.704 177.300 -0.567 0.000 1.205 527 P CA -0.259 62.015 63.100 -1.376 0.000 0.771 527 P CB 0.997 31.604 31.700 -1.820 0.000 0.858 528 V N 0.052 119.741 119.914 -0.375 0.000 3.160 528 V HA 0.422 4.545 4.120 0.006 0.000 0.310 528 V C -0.022 176.199 176.094 0.212 0.000 1.181 528 V CA -1.314 61.047 62.300 0.103 0.000 1.047 528 V CB 1.542 33.441 31.823 0.128 0.000 1.068 528 V HN 0.204 nan 8.190 nan 0.000 0.441 529 V N 1.546 121.639 119.914 0.299 0.000 2.539 529 V HA 0.067 4.190 4.120 0.006 0.000 0.300 529 V C 1.041 177.256 176.094 0.201 0.000 1.019 529 V CA 1.304 63.768 62.300 0.272 0.000 1.160 529 V CB 0.765 32.722 31.823 0.223 0.000 0.901 529 V HN 0.875 nan 8.190 nan 0.000 0.481 530 V N 3.913 123.933 119.914 0.175 0.000 3.485 530 V HA 0.041 4.165 4.120 0.006 0.000 0.280 530 V C 1.712 177.792 176.094 -0.024 0.000 1.495 530 V CA 0.583 62.925 62.300 0.070 0.000 1.018 530 V CB 1.015 32.836 31.823 -0.003 0.000 0.818 530 V HN 0.939 nan 8.190 nan 0.000 0.436 531 Q N 1.277 121.066 119.800 -0.018 0.000 2.077 531 Q HA -0.163 4.180 4.340 0.006 0.000 0.206 531 Q C -0.436 175.544 176.000 -0.033 0.000 0.989 531 Q CA 2.871 58.645 55.803 -0.048 0.000 0.853 531 Q CB -1.384 27.329 28.738 -0.042 0.000 0.907 531 Q HN 0.526 nan 8.270 nan 0.000 0.418 532 P HA -0.147 nan 4.420 nan 0.000 0.216 532 P C 0.894 178.183 177.300 -0.018 0.000 1.153 532 P CA 1.040 64.134 63.100 -0.010 0.000 0.848 532 P CB 0.013 31.716 31.700 0.004 0.000 0.787 533 L N -1.615 119.595 121.223 -0.021 0.000 2.017 533 L HA -0.184 4.159 4.340 0.006 0.000 0.208 533 L C 2.276 179.115 176.870 -0.053 0.000 1.073 533 L CA 1.122 55.941 54.840 -0.035 0.000 0.745 533 L CB -1.044 40.992 42.059 -0.040 0.000 0.894 533 L HN -0.027 nan 8.230 nan 0.000 0.432 534 L N -0.038 121.145 121.223 -0.066 0.000 2.012 534 L HA -0.208 4.136 4.340 0.006 0.000 0.210 534 L C 2.801 179.640 176.870 -0.050 0.000 1.073 534 L CA 2.180 56.978 54.840 -0.070 0.000 0.748 534 L CB -1.473 40.543 42.059 -0.071 0.000 0.891 534 L HN 0.219 nan 8.230 nan 0.000 0.431 535 A N -0.939 121.856 122.820 -0.042 0.000 1.908 535 A HA -0.171 4.152 4.320 0.006 0.000 0.218 535 A C 2.416 179.985 177.584 -0.024 0.000 1.181 535 A CA 1.979 53.997 52.037 -0.032 0.000 0.627 535 A CB -0.814 18.170 19.000 -0.026 0.000 0.818 535 A HN 0.432 nan 8.150 nan 0.000 0.445 536 A N -0.834 121.972 122.820 -0.023 0.000 2.014 536 A HA 0.240 4.563 4.320 0.006 0.000 0.218 536 A C 1.410 178.983 177.584 -0.018 0.000 1.163 536 A CA 0.997 53.025 52.037 -0.015 0.000 0.652 536 A CB -0.321 18.672 19.000 -0.011 0.000 0.808 536 A HN 0.386 nan 8.150 nan 0.000 0.449 537 S N 0.069 115.750 115.700 -0.031 0.000 2.585 537 S HA 0.318 4.792 4.470 0.006 0.000 0.277 537 S C -0.051 174.525 174.600 -0.040 0.000 1.241 537 S CA -0.339 57.838 58.200 -0.038 0.000 1.041 537 S CB 1.445 64.609 63.200 -0.059 0.000 0.987 537 S HN 0.425 nan 8.310 nan 0.000 0.512 538 D N 1.394 121.772 120.400 -0.036 0.000 2.137 538 D HA 0.253 4.897 4.640 0.006 0.000 0.202 538 D C 0.512 176.772 176.300 -0.067 0.000 0.970 538 D CA 0.850 54.826 54.000 -0.040 0.000 0.837 538 D CB 0.164 40.949 40.800 -0.026 0.000 0.981 538 D HN 0.575 nan 8.370 nan 0.000 0.475 539 A N 0.014 122.782 122.820 -0.086 0.000 2.435 539 A HA 0.724 5.047 4.320 0.006 0.000 0.304 539 A C -1.631 175.866 177.584 -0.145 0.000 1.064 539 A CA -0.554 51.405 52.037 -0.131 0.000 0.727 539 A CB 1.298 20.208 19.000 -0.149 0.000 1.284 539 A HN 0.151 nan 8.150 nan 0.000 0.415 540 L N 1.923 123.027 121.223 -0.198 0.000 2.436 540 L HA 0.736 5.079 4.340 0.006 0.000 0.268 540 L C -1.656 175.040 176.870 -0.289 0.000 0.974 540 L CA -0.614 54.098 54.840 -0.214 0.000 0.826 540 L CB 2.176 44.108 42.059 -0.212 0.000 1.291 540 L HN 0.498 nan 8.230 nan 0.000 0.406 541 V N 3.930 123.697 119.914 -0.246 0.000 2.487 541 V HA 0.638 4.761 4.120 0.006 0.000 0.298 541 V C 0.191 176.133 176.094 -0.254 0.000 1.028 541 V CA -0.563 61.587 62.300 -0.249 0.000 0.860 541 V CB 1.699 33.458 31.823 -0.107 0.000 0.991 541 V HN 0.840 nan 8.190 nan 0.000 0.427 542 A N 3.630 126.240 122.820 -0.350 0.000 2.310 542 A HA 0.680 5.004 4.320 0.006 0.000 0.300 542 A C 0.979 178.196 177.584 -0.612 0.000 1.269 542 A CA 0.320 52.033 52.037 -0.539 0.000 0.909 542 A CB 0.634 19.202 19.000 -0.720 0.000 1.144 542 A HN 1.289 nan 8.150 nan 0.000 0.540 543 A N 2.626 125.203 122.820 -0.405 0.000 2.348 543 A HA 0.466 4.789 4.320 0.006 0.000 0.224 543 A C 0.651 178.246 177.584 0.018 0.000 1.227 543 A CA 0.354 52.309 52.037 -0.136 0.000 0.885 543 A CB -0.757 18.242 19.000 -0.001 0.000 0.933 543 A HN 1.209 nan 8.150 nan 0.000 0.506 544 W N -1.795 119.580 121.300 0.125 0.000 2.034 544 W HA -0.290 4.373 4.660 0.006 0.000 0.277 544 W C 0.110 176.680 176.519 0.086 0.000 1.199 544 W CA 0.463 57.874 57.345 0.110 0.000 1.148 544 W CB -1.328 28.208 29.460 0.127 0.000 0.887 544 W HN 0.068 nan 8.180 nan 0.000 0.537 545 L N 2.612 124.058 121.223 0.373 0.000 2.445 545 L HA 0.242 4.585 4.340 0.006 0.000 0.252 545 L C -1.446 175.557 176.870 0.222 0.000 1.105 545 L CA -1.560 53.416 54.840 0.227 0.000 0.943 545 L CB 0.855 43.017 42.059 0.173 0.000 1.277 545 L HN 0.018 nan 8.230 nan 0.000 0.465 546 P HA 0.030 nan 4.420 nan 0.000 0.233 546 P C 0.851 178.205 177.300 0.090 0.000 1.167 546 P CA 0.892 64.085 63.100 0.156 0.000 0.770 546 P CB 0.795 32.575 31.700 0.134 0.000 0.837 547 G N 0.651 109.491 108.800 0.067 0.000 2.512 547 G HA2 -0.232 3.731 3.960 0.006 0.000 0.210 547 G HA3 -0.232 3.731 3.960 0.006 0.000 0.210 547 G C 0.874 175.739 174.900 -0.057 0.000 1.295 547 G CA 0.240 45.329 45.100 -0.019 0.000 0.934 547 G HN 0.214 nan 8.290 nan 0.000 0.554 548 S N -0.463 115.154 115.700 -0.139 0.000 2.489 548 S HA 0.160 4.634 4.470 0.006 0.000 0.228 548 S C 0.663 175.199 174.600 -0.108 0.000 0.995 548 S CA 1.724 59.843 58.200 -0.135 0.000 0.934 548 S CB 0.206 63.288 63.200 -0.196 0.000 0.771 548 S HN 0.589 nan 8.310 nan 0.000 0.522 549 E N 1.900 122.039 120.200 -0.101 0.000 2.206 549 E HA 0.359 4.713 4.350 0.006 0.000 0.244 549 E C 1.059 177.642 176.600 -0.029 0.000 1.055 549 E CA -0.201 56.153 56.400 -0.077 0.000 0.970 549 E CB 0.209 29.849 29.700 -0.099 0.000 1.256 549 E HN 0.451 nan 8.360 nan 0.000 0.456 550 G N 1.526 110.317 108.800 -0.016 0.000 2.479 550 G HA2 -0.309 3.654 3.960 0.006 0.000 0.220 550 G HA3 -0.309 3.654 3.960 0.006 0.000 0.220 550 G C 1.257 176.175 174.900 0.030 0.000 1.115 550 G CA 0.394 45.502 45.100 0.014 0.000 0.757 550 G HN 0.361 nan 8.290 nan 0.000 0.560 551 Q N -0.057 119.756 119.800 0.021 0.000 2.364 551 Q HA 0.009 4.353 4.340 0.006 0.000 0.207 551 Q C 2.744 178.769 176.000 0.042 0.000 0.970 551 Q CA 0.598 56.427 55.803 0.044 0.000 0.888 551 Q CB -0.187 28.572 28.738 0.034 0.000 0.951 551 Q HN 0.470 nan 8.270 nan 0.000 0.469 552 G N 0.221 109.028 108.800 0.013 0.000 2.442 552 G HA2 -0.226 3.737 3.960 0.006 0.000 0.219 552 G HA3 -0.226 3.737 3.960 0.006 0.000 0.219 552 G C 1.445 176.344 174.900 -0.002 0.000 1.141 552 G CA 0.826 45.921 45.100 -0.008 0.000 0.763 552 G HN 0.218 nan 8.290 nan 0.000 0.554 553 V N 1.632 121.562 119.914 0.027 0.000 2.307 553 V HA -0.169 3.954 4.120 0.006 0.000 0.245 553 V C 3.302 179.408 176.094 0.019 0.000 1.045 553 V CA 2.423 64.742 62.300 0.031 0.000 1.024 553 V CB -1.032 30.824 31.823 0.056 0.000 0.651 553 V HN 0.627 nan 8.190 nan 0.000 0.449 554 T N -2.638 111.964 114.554 0.080 0.000 2.951 554 T HA -0.172 4.182 4.350 0.006 0.000 0.268 554 T C 1.516 176.334 174.700 0.196 0.000 1.073 554 T CA 1.247 63.450 62.100 0.171 0.000 1.134 554 T CB -0.438 68.639 68.868 0.348 0.000 0.884 554 T HN 0.356 nan 8.240 nan 0.000 0.479 555 D N 2.125 122.607 120.400 0.136 0.000 2.158 555 D HA -0.031 4.612 4.640 0.006 0.000 0.197 555 D C 2.287 178.640 176.300 0.089 0.000 0.995 555 D CA 1.571 55.676 54.000 0.176 0.000 0.846 555 D CB -0.442 40.471 40.800 0.187 0.000 0.941 555 D HN 0.613 nan 8.370 nan 0.000 0.456 556 A N -0.027 122.717 122.820 -0.127 0.000 1.943 556 A HA 0.060 4.383 4.320 0.006 0.000 0.213 556 A C 2.342 179.732 177.584 -0.323 0.000 1.181 556 A CA 0.190 51.950 52.037 -0.462 0.000 0.653 556 A CB -0.493 17.815 19.000 -1.154 0.000 0.833 556 A HN 0.155 nan 8.150 nan 0.000 0.451 557 L N -1.692 119.415 121.223 -0.193 0.000 2.079 557 L HA -0.148 4.195 4.340 0.006 0.000 0.210 557 L C 1.776 178.411 176.870 -0.392 0.000 1.081 557 L CA 1.339 56.028 54.840 -0.253 0.000 0.752 557 L CB -0.455 41.328 42.059 -0.460 0.000 0.896 557 L HN 0.438 nan 8.230 nan 0.000 0.433 558 F N -0.741 119.211 119.950 0.002 0.000 2.693 558 F HA 0.255 4.785 4.527 0.005 0.000 0.303 558 F C 1.634 177.422 175.800 -0.019 0.000 1.097 558 F CA 0.345 58.341 58.000 -0.006 0.000 1.330 558 F CB 0.256 39.264 39.000 0.014 0.000 1.067 558 F HN 0.149 nan 8.300 nan 0.000 0.565 559 G N 0.466 109.315 108.800 0.082 0.000 2.153 559 G HA2 -0.313 3.650 3.960 0.006 0.000 0.252 559 G HA3 -0.313 3.650 3.960 0.006 0.000 0.252 559 G C 0.782 175.671 174.900 -0.019 0.000 0.994 559 G CA 0.554 45.672 45.100 0.030 0.000 0.698 559 G HN 0.308 nan 8.290 nan 0.000 0.521 560 D N -0.711 119.680 120.400 -0.015 0.000 2.178 560 D HA 0.083 4.727 4.640 0.006 0.000 0.201 560 D C 0.868 176.850 176.300 -0.530 0.000 0.980 560 D CA 1.121 54.995 54.000 -0.211 0.000 0.842 560 D CB 0.021 40.755 40.800 -0.109 0.000 0.948 560 D HN 0.497 nan 8.370 nan 0.000 0.472 561 F N -1.005 118.911 119.950 -0.057 0.000 2.613 561 F HA 0.534 5.064 4.527 0.006 0.000 0.314 561 F C 0.944 176.671 175.800 -0.121 0.000 1.075 561 F CA -1.268 56.687 58.000 -0.076 0.000 0.945 561 F CB 1.732 40.680 39.000 -0.087 0.000 1.310 561 F HN -0.301 nan 8.300 nan 0.000 0.467 562 G N 0.397 109.264 108.800 0.112 0.000 2.448 562 G HA2 0.457 4.421 3.960 0.006 0.000 0.285 562 G HA3 0.457 4.421 3.960 0.006 0.000 0.285 562 G C -1.174 173.728 174.900 0.004 0.000 1.176 562 G CA -0.430 44.703 45.100 0.055 0.000 0.852 562 G HN 0.377 nan 8.290 nan 0.000 0.530 563 F N 0.398 120.373 119.950 0.041 0.000 2.538 563 F HA 0.276 4.806 4.527 0.006 0.000 0.371 563 F C 1.822 177.633 175.800 0.018 0.000 1.087 563 F CA 0.964 58.977 58.000 0.021 0.000 1.250 563 F CB 1.527 40.518 39.000 -0.016 0.000 1.110 563 F HN 0.538 nan 8.300 nan 0.000 0.570 564 T N -1.048 113.621 114.554 0.193 0.000 3.046 564 T HA 0.254 4.608 4.350 0.006 0.000 0.270 564 T C 0.832 175.604 174.700 0.120 0.000 0.920 564 T CA 0.122 62.294 62.100 0.121 0.000 0.874 564 T CB -0.384 68.532 68.868 0.079 0.000 1.214 564 T HN 0.673 nan 8.240 nan 0.000 0.536 565 G N 1.565 110.466 108.800 0.169 0.000 2.491 565 G HA2 0.505 4.468 3.960 0.006 0.000 0.238 565 G HA3 0.505 4.468 3.960 0.006 0.000 0.238 565 G C -0.573 174.424 174.900 0.162 0.000 1.277 565 G CA -0.565 44.645 45.100 0.184 0.000 0.851 565 G HN 0.470 nan 8.290 nan 0.000 0.573 566 R N 0.990 121.589 120.500 0.165 0.000 2.686 566 R HA 0.275 4.619 4.340 0.006 0.000 0.286 566 R C -0.226 176.216 176.300 0.237 0.000 0.969 566 R CA -0.982 55.214 56.100 0.159 0.000 0.898 566 R CB 2.114 32.478 30.300 0.107 0.000 1.183 566 R HN 0.405 nan 8.270 nan 0.000 0.456 567 L N 4.466 125.874 121.223 0.309 0.000 2.601 567 L HA 0.001 4.345 4.340 0.006 0.000 0.277 567 L C -1.272 175.744 176.870 0.243 0.000 1.219 567 L CA -0.582 54.493 54.840 0.392 0.000 0.915 567 L CB 0.308 42.650 42.059 0.472 0.000 1.160 567 L HN 0.421 nan 8.230 nan 0.000 0.494 568 P HA 0.092 nan 4.420 nan 0.000 0.261 568 P C -0.077 177.268 177.300 0.075 0.000 1.268 568 P CA 0.416 63.549 63.100 0.054 0.000 0.833 568 P CB 0.624 32.281 31.700 -0.071 0.000 1.231 569 R N -1.405 119.182 120.500 0.146 0.000 2.774 569 R HA 0.424 4.767 4.340 0.006 0.000 0.272 569 R C -0.483 175.979 176.300 0.271 0.000 1.000 569 R CA -0.603 55.597 56.100 0.166 0.000 0.906 569 R CB 1.203 31.571 30.300 0.113 0.000 1.227 569 R HN -0.230 nan 8.270 nan 0.000 0.468 570 T N 1.612 116.336 114.554 0.283 0.000 2.888 570 T HA 0.027 4.381 4.350 0.006 0.000 0.301 570 T C -0.577 174.304 174.700 0.302 0.000 1.001 570 T CA 0.243 62.555 62.100 0.353 0.000 1.147 570 T CB 0.462 69.582 68.868 0.420 0.000 0.931 570 T HN 0.213 nan 8.240 nan 0.000 0.541 571 W N 6.915 128.310 121.300 0.160 0.000 2.308 571 W HA 0.356 5.020 4.660 0.006 0.000 0.311 571 W C -0.703 175.750 176.519 -0.110 0.000 1.088 571 W CA -2.121 55.219 57.345 -0.008 0.000 1.309 571 W CB 0.080 29.603 29.460 0.105 0.000 1.229 571 W HN 0.631 nan 8.180 nan 0.000 0.427 572 F N 3.109 123.187 119.950 0.214 0.000 2.444 572 F HA 0.331 4.861 4.527 0.006 0.000 0.331 572 F C 1.189 177.087 175.800 0.163 0.000 1.167 572 F CA -0.478 57.597 58.000 0.126 0.000 1.262 572 F CB 0.488 39.520 39.000 0.053 0.000 1.196 572 F HN 0.234 nan 8.300 nan 0.000 0.583 573 K N 0.156 120.723 120.400 0.279 0.000 2.137 573 K HA 0.086 4.409 4.320 0.006 0.000 0.202 573 K C -0.012 176.770 176.600 0.303 0.000 1.052 573 K CA 1.219 57.609 56.287 0.171 0.000 0.961 573 K CB -0.039 32.494 32.500 0.055 0.000 0.741 573 K HN 0.830 nan 8.250 nan 0.000 0.452 574 S N -1.310 114.610 115.700 0.368 0.000 2.570 574 S HA 0.148 4.622 4.470 0.006 0.000 0.270 574 S C 0.697 175.276 174.600 -0.035 0.000 1.149 574 S CA -0.680 57.660 58.200 0.234 0.000 0.837 574 S CB 1.555 64.808 63.200 0.088 0.000 1.124 574 S HN -0.065 nan 8.310 nan 0.000 0.465 575 V N -0.977 118.806 119.914 -0.217 0.000 2.759 575 V HA -0.038 4.085 4.120 0.006 0.000 0.256 575 V C 1.701 177.649 176.094 -0.243 0.000 1.080 575 V CA 1.958 63.994 62.300 -0.439 0.000 1.101 575 V CB -1.334 30.280 31.823 -0.349 0.000 0.698 575 V HN 0.963 nan 8.190 nan 0.000 0.477 576 D N 0.144 120.464 120.400 -0.133 0.000 2.348 576 D HA -0.174 4.470 4.640 0.006 0.000 0.216 576 D C 1.894 178.138 176.300 -0.094 0.000 0.970 576 D CA 0.979 54.920 54.000 -0.098 0.000 0.889 576 D CB -0.480 40.281 40.800 -0.066 0.000 0.912 576 D HN 0.604 nan 8.370 nan 0.000 0.524 577 Q N -0.159 119.587 119.800 -0.090 0.000 2.369 577 Q HA 0.123 4.467 4.340 0.006 0.000 0.206 577 Q C 0.589 176.552 176.000 -0.061 0.000 0.963 577 Q CA 0.204 55.969 55.803 -0.064 0.000 0.894 577 Q CB 0.274 29.014 28.738 0.003 0.000 0.965 577 Q HN 0.373 nan 8.270 nan 0.000 0.475 578 L N 2.893 124.048 121.223 -0.113 0.000 2.417 578 L HA 0.221 4.564 4.340 0.006 0.000 0.268 578 L C -1.859 174.975 176.870 -0.061 0.000 1.158 578 L CA -1.898 52.883 54.840 -0.098 0.000 0.819 578 L CB -0.080 41.862 42.059 -0.195 0.000 1.112 578 L HN -0.007 nan 8.230 nan 0.000 0.458 579 P HA 0.208 nan 4.420 nan 0.000 0.275 579 P C -1.033 176.300 177.300 0.054 0.000 1.228 579 P CA -0.430 62.675 63.100 0.009 0.000 0.786 579 P CB 1.458 33.167 31.700 0.015 0.000 0.927 580 M N 2.598 122.264 119.600 0.110 0.000 2.164 580 M HA 0.300 4.783 4.480 0.006 0.000 0.260 580 M C -1.902 174.563 176.300 0.276 0.000 0.974 580 M CA -0.279 55.141 55.300 0.199 0.000 1.020 580 M CB 1.027 33.753 32.600 0.209 0.000 1.903 580 M HN 0.267 nan 8.290 nan 0.000 0.469 581 N N 1.824 120.660 118.700 0.226 0.000 2.328 581 N HA 0.631 5.374 4.740 0.006 0.000 0.299 581 N C -0.861 174.582 175.510 -0.112 0.000 1.179 581 N CA -0.869 52.266 53.050 0.141 0.000 0.793 581 N CB 2.202 40.721 38.487 0.054 0.000 1.366 581 N HN 0.423 nan 8.380 nan 0.000 0.493 582 V N -0.305 119.442 119.914 -0.278 0.000 2.644 582 V HA 0.362 4.485 4.120 0.006 0.000 0.305 582 V C 1.378 177.228 176.094 -0.406 0.000 1.053 582 V CA 0.634 62.529 62.300 -0.674 0.000 1.186 582 V CB -0.287 31.354 31.823 -0.303 0.000 0.895 582 V HN 1.025 nan 8.190 nan 0.000 0.490 583 G N 2.585 111.116 108.800 -0.449 0.000 2.232 583 G HA2 -0.194 3.769 3.960 0.006 0.000 0.226 583 G HA3 -0.194 3.769 3.960 0.006 0.000 0.226 583 G C -0.125 174.699 174.900 -0.125 0.000 0.996 583 G CA 0.067 45.044 45.100 -0.205 0.000 0.626 583 G HN 0.837 nan 8.290 nan 0.000 0.509 584 D N 0.597 120.923 120.400 -0.123 0.000 2.414 584 D HA 0.561 5.205 4.640 0.006 0.000 0.242 584 D C 1.603 177.942 176.300 0.065 0.000 1.129 584 D CA 0.660 54.671 54.000 0.018 0.000 0.885 584 D CB 1.102 41.969 40.800 0.112 0.000 1.198 584 D HN 0.439 nan 8.370 nan 0.000 0.437 585 A N 2.961 125.827 122.820 0.075 0.000 1.883 585 A HA -0.191 4.133 4.320 0.006 0.000 0.217 585 A C 1.118 178.768 177.584 0.110 0.000 1.186 585 A CA 1.312 53.394 52.037 0.076 0.000 0.624 585 A CB -0.406 18.636 19.000 0.070 0.000 0.822 585 A HN 0.634 nan 8.150 nan 0.000 0.444 586 H N -1.532 117.593 119.070 0.093 0.000 2.741 586 H HA 0.427 4.986 4.556 0.006 0.000 0.282 586 H C -1.961 173.484 175.328 0.194 0.000 1.122 586 H CA -0.441 55.673 56.048 0.109 0.000 1.293 586 H CB 0.080 29.884 29.762 0.070 0.000 1.415 586 H HN 0.310 nan 8.280 nan 0.000 0.472 587 Y N 4.549 124.880 120.300 0.052 0.000 2.363 587 Y HA 0.198 4.751 4.550 0.006 0.000 0.325 587 Y C -0.860 175.079 175.900 0.066 0.000 0.984 587 Y CA -1.177 56.982 58.100 0.098 0.000 1.248 587 Y CB 0.980 39.475 38.460 0.059 0.000 1.116 587 Y HN 0.522 nan 8.280 nan 0.000 0.470 588 D N 8.329 128.650 120.400 -0.132 0.000 2.613 588 D HA 0.297 4.940 4.640 0.006 0.000 0.312 588 D C -3.026 173.138 176.300 -0.226 0.000 1.202 588 D CA -1.924 51.997 54.000 -0.131 0.000 0.825 588 D CB 1.072 41.931 40.800 0.097 0.000 1.113 588 D HN 0.199 nan 8.370 nan 0.000 0.502 589 P HA 0.082 nan 4.420 nan 0.000 0.276 589 P C 0.962 178.118 177.300 -0.241 0.000 1.244 589 P CA -0.663 62.250 63.100 -0.312 0.000 0.801 589 P CB 1.870 33.319 31.700 -0.418 0.000 1.006 590 L N 1.727 122.821 121.223 -0.216 0.000 2.056 590 L HA 0.140 4.484 4.340 0.006 0.000 0.207 590 L C 0.338 176.691 176.870 -0.862 0.000 1.078 590 L CA 1.869 56.405 54.840 -0.506 0.000 0.749 590 L CB -0.455 41.314 42.059 -0.484 0.000 0.901 590 L HN 0.276 nan 8.230 nan 0.000 0.433 591 F N 0.034 119.881 119.950 -0.172 0.000 2.557 591 F HA 0.398 4.929 4.527 0.006 0.000 0.316 591 F C 0.026 175.830 175.800 0.007 0.000 1.141 591 F CA -1.153 56.687 58.000 -0.266 0.000 0.922 591 F CB 0.911 39.645 39.000 -0.443 0.000 1.194 591 F HN -0.101 nan 8.300 nan 0.000 0.443 592 R N 2.699 123.339 120.500 0.233 0.000 2.738 592 R HA 0.416 4.759 4.340 0.006 0.000 0.268 592 R C -0.371 176.171 176.300 0.402 0.000 1.062 592 R CA -0.777 55.524 56.100 0.336 0.000 1.158 592 R CB 0.930 31.438 30.300 0.346 0.000 1.046 592 R HN 0.823 nan 8.270 nan 0.000 0.493 593 L N 1.852 123.317 121.223 0.404 0.000 2.578 593 L HA 0.069 4.412 4.340 0.006 0.000 0.279 593 L C 1.092 178.123 176.870 0.268 0.000 1.227 593 L CA 1.953 56.978 54.840 0.309 0.000 0.900 593 L CB 0.332 42.528 42.059 0.228 0.000 1.144 593 L HN 1.098 nan 8.230 nan 0.000 0.496 594 G N 2.455 111.404 108.800 0.248 0.000 2.213 594 G HA2 -0.362 3.601 3.960 0.006 0.000 0.236 594 G HA3 -0.362 3.601 3.960 0.006 0.000 0.236 594 G C -0.001 175.025 174.900 0.210 0.000 0.991 594 G CA 0.181 45.398 45.100 0.194 0.000 0.629 594 G HN 0.781 nan 8.290 nan 0.000 0.517 595 Y N 1.691 122.084 120.300 0.154 0.000 2.511 595 Y HA 0.417 4.970 4.550 0.006 0.000 0.332 595 Y C 0.666 176.599 175.900 0.055 0.000 1.177 595 Y CA 1.190 59.359 58.100 0.115 0.000 1.422 595 Y CB 0.947 39.506 38.460 0.165 0.000 1.271 595 Y HN 0.837 nan 8.280 nan 0.000 0.550 596 G N 6.583 114.995 108.800 -0.647 0.000 2.617 596 G HA2 0.338 4.302 3.960 0.006 0.000 0.305 596 G HA3 0.338 4.302 3.960 0.006 0.000 0.305 596 G C -1.948 172.643 174.900 -0.514 0.000 1.436 596 G CA -1.007 43.816 45.100 -0.462 0.000 1.036 596 G HN 0.785 nan 8.290 nan 0.000 0.589 597 L N 1.274 122.213 121.223 -0.473 0.000 2.439 597 L HA 0.730 5.073 4.340 0.006 0.000 0.261 597 L C 1.152 177.927 176.870 -0.157 0.000 1.153 597 L CA -0.655 53.998 54.840 -0.312 0.000 0.808 597 L CB 1.538 43.430 42.059 -0.278 0.000 1.126 597 L HN 0.727 nan 8.230 nan 0.000 0.460 598 T N -2.321 112.186 114.554 -0.079 0.000 2.924 598 T HA 0.742 5.096 4.350 0.006 0.000 0.291 598 T C -0.303 174.436 174.700 0.065 0.000 1.045 598 T CA -0.682 61.438 62.100 0.033 0.000 1.015 598 T CB 2.029 70.916 68.868 0.031 0.000 1.103 598 T HN 0.734 nan 8.240 nan 0.000 0.496 599 T N -0.722 113.927 114.554 0.158 0.000 2.887 599 T HA 0.634 4.987 4.350 0.006 0.000 0.292 599 T C -0.849 173.910 174.700 0.099 0.000 1.087 599 T CA -1.058 61.123 62.100 0.135 0.000 1.009 599 T CB 1.138 70.142 68.868 0.228 0.000 1.203 599 T HN 0.710 nan 8.240 nan 0.000 0.518 600 N N -0.198 118.541 118.700 0.064 0.000 2.417 600 N HA 0.626 5.369 4.740 0.006 0.000 0.300 600 N C -0.325 175.200 175.510 0.025 0.000 1.102 600 N CA -0.936 52.139 53.050 0.041 0.000 0.886 600 N CB 1.497 39.999 38.487 0.025 0.000 1.203 600 N HN 1.005 nan 8.380 nan 0.000 0.496 601 A N 0.876 123.698 122.820 0.003 0.000 2.531 601 A HA 0.160 4.484 4.320 0.006 0.000 0.236 601 A C 0.895 178.458 177.584 -0.035 0.000 1.062 601 A CA -0.140 51.872 52.037 -0.041 0.000 0.760 601 A CB -0.330 18.606 19.000 -0.106 0.000 0.995 601 A HN 0.698 nan 8.150 nan 0.000 0.501 602 T N 0.000 114.533 114.554 -0.035 0.000 3.816 602 T HA 0.000 4.353 4.350 0.006 0.000 0.228 602 T CA 0.000 62.088 62.100 -0.021 0.000 1.349 602 T CB 0.000 68.867 68.868 -0.002 0.000 0.612 602 T HN 0.000 nan 8.240 nan 0.000 0.658