============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 27 1.000 -7.743 -5.383 -0.481 -99.200 -91.000 PHE 29 1.000 -4.424 -5.470 -4.888 -99.200 -91.000 TYR 32 0.840 -12.405 -3.210 -0.603 -99.200 -91.000 HIS 33 0.900 -7.744 4.879 -1.703 -99.200 -91.000 TRP 36 1.040 3.760 -1.524 -1.990 -99.200 -91.000 TRP6 36 1.020 4.729 -3.367 -0.880 -99.200 -91.000 TRP 47 1.040 0.451 6.544 2.576 -99.200 -91.000 TRP6 47 1.020 0.506 8.897 2.727 -99.200 -91.000 TYR 59 0.840 -4.240 10.093 -3.085 -99.200 -91.000 TYR 60 0.840 4.297 8.387 -3.977 -99.200 -91.000 PHE 68 1.000 10.961 4.152 -1.005 -99.200 -91.000 TYR 80 0.840 4.001 -6.463 -8.224 -99.200 -91.000 TYR 94 0.840 10.255 -0.240 2.525 -99.200 -91.000 TYR 95 0.840 5.845 -3.905 7.932 -99.200 -91.000 TYR 99 0.840 -4.092 4.903 4.103 -99.200 -91.000 TRP 107 1.040 -3.762 -5.177 8.172 -99.200 -91.000 TRP6 107 1.020 -5.243 -4.677 6.408 -99.200 -91.000 HIS 131 0.900 46.438 10.584 -8.699 -99.200 -91.000 HIS 132 0.900 53.664 10.450 -6.748 -99.200 -91.000 HIS 133 0.900 55.413 15.805 -10.095 -99.200 -91.000 HIS 134 0.900 58.447 10.542 -15.467 -99.200 -91.000 HIS 135 0.900 52.570 4.014 -12.578 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1iehA8 ASP 1 HA -0.15 -0.02 0.19 -0.75 4.63 3.90 1iehA8 ASP 1 HB2 -0.14 -0.01 0.10 -0.04 2.71 2.62 1iehA8 ASP 1 HB3 -0.16 -0.02 0.07 -0.04 2.70 2.54 1iehA8 VAL 2 H -0.39 0.09 0.08 -0.55 8.24 7.47 1iehA8 VAL 2 HA -0.31 0.14 0.69 -0.75 4.13 3.89 1iehA8 VAL 2 HB -0.47 -0.09 -0.14 -0.04 2.12 1.38 1iehA8 VAL 2 HG13 -0.19 0.03 -0.11 -0.04 0.97 0.66 1iehA8 VAL 2 HG23 -0.64 -0.02 -0.00 -0.04 0.95 0.25 1iehA8 GLN 3 H -0.30 0.26 0.23 -0.55 8.47 8.11 1iehA8 GLN 3 HA -0.64 0.13 0.96 -0.75 4.36 4.05 1iehA8 GLN 3 HB2 -0.28 0.08 -0.01 -0.04 2.15 1.91 1iehA8 GLN 3 HB3 -0.17 0.01 -0.01 -0.04 2.02 1.80 1iehA8 GLN 3 HG2 -0.44 -0.03 0.12 -0.04 2.40 2.01 1iehA8 GLN 3 HG3 -0.27 0.05 -0.03 -0.04 2.39 2.10 1iehA8 GLN 3 HE21 -0.03 -0.32 0.20 -0.04 6.97 6.78 1iehA8 GLN 3 HE22 0.00 0.05 0.03 -0.04 7.69 7.73 1iehA8 LEU 4 H -0.01 0.10 0.23 -0.55 8.37 8.14 1iehA8 LEU 4 HA 0.02 0.27 0.93 -0.75 4.35 4.82 1iehA8 LEU 4 HB2 0.10 -0.01 -0.07 -0.04 1.64 1.62 1iehA8 LEU 4 HB3 0.09 -0.03 -0.02 -0.04 1.64 1.65 1iehA8 LEU 4 HG 0.38 -0.01 -0.09 -0.04 1.64 1.88 1iehA8 LEU 4 HD13 0.20 0.03 -0.26 -0.04 0.93 0.86 1iehA8 LEU 4 HD23 -0.12 0.06 -0.43 -0.04 0.89 0.36 1iehA8 GLN 5 H 0.06 0.27 -0.08 -0.55 8.47 8.17 1iehA8 GLN 5 HA 0.08 -0.13 0.93 -0.75 4.36 4.49 1iehA8 GLN 5 HB2 0.05 -0.00 0.03 -0.04 2.15 2.19 1iehA8 GLN 5 HB3 0.05 0.09 0.08 -0.04 2.02 2.20 1iehA8 GLN 5 HG2 0.04 -0.12 -0.09 -0.04 2.40 2.19 1iehA8 GLN 5 HG3 0.04 0.06 0.09 -0.04 2.39 2.54 1iehA8 GLN 5 HE21 0.02 0.01 -0.01 -0.04 6.97 6.95 1iehA8 GLN 5 HE22 0.00 0.01 -0.04 -0.04 7.69 7.62 1iehA8 ALA 6 H 0.11 -0.41 0.41 -0.55 8.40 7.96 1iehA8 ALA 6 HA 0.13 0.20 1.10 -0.75 4.34 5.02 1iehA8 ALA 6 HB3 0.18 0.02 0.17 -0.04 1.41 1.74 1iehA8 SER 7 H 0.17 0.79 0.53 -0.55 8.46 9.41 1iehA8 SER 7 HA 0.05 0.02 0.53 -0.75 4.49 4.33 1iehA8 SER 7 HB2 0.05 0.14 -0.19 -0.04 3.95 3.91 1iehA8 SER 7 HB3 0.04 0.03 -0.05 -0.04 3.93 3.91 1iehA8 GLY 8 H 0.00 0.22 0.20 -0.55 8.43 8.30 1iehA8 GLY 8 HA2 -0.02 0.07 0.43 -0.51 4.01 3.98 1iehA8 GLY 8 HA3 -0.04 0.10 0.97 -0.51 4.01 4.53 1iehA8 GLY 9 H -0.05 -0.09 -0.28 -0.55 8.43 7.46 1iehA8 GLY 9 HA2 -0.16 0.02 0.23 -0.51 4.01 3.59 1iehA8 GLY 9 HA3 -0.09 0.00 0.04 -0.51 4.01 3.46 1iehA8 GLY 10 H -0.11 0.10 0.25 -0.55 8.43 8.13 1iehA8 GLY 10 HA2 -0.04 0.10 0.52 -0.51 4.01 4.08 1iehA8 GLY 10 HA3 -0.05 0.10 0.40 -0.51 4.01 3.94 1iehA8 LEU 11 H -0.03 0.16 0.22 -0.55 8.37 8.17 1iehA8 LEU 11 HA -0.03 0.49 1.04 -0.75 4.35 5.09 1iehA8 LEU 11 HB2 -0.02 0.00 0.20 -0.04 1.64 1.79 1iehA8 LEU 11 HB3 -0.01 0.11 0.14 -0.04 1.64 1.84 1iehA8 LEU 11 HG -0.02 -0.07 0.08 -0.04 1.64 1.59 1iehA8 LEU 11 HD13 -0.01 0.02 0.03 -0.04 0.93 0.93 1iehA8 LEU 11 HD23 -0.01 -0.01 -0.14 -0.04 0.89 0.69 1iehA8 VAL 12 H -0.03 0.27 0.44 -0.55 8.24 8.37 1iehA8 VAL 12 HA -0.03 0.26 0.88 -0.75 4.13 4.49 1iehA8 VAL 12 HB -0.04 -0.03 0.13 -0.04 2.12 2.14 1iehA8 VAL 12 HG13 -0.07 0.03 -0.24 -0.04 0.97 0.64 1iehA8 VAL 12 HG23 -0.02 -0.01 -0.32 -0.04 0.95 0.55 1iehA8 GLN 13 H -0.02 0.14 0.13 -0.55 8.47 8.17 1iehA8 GLN 13 HA -0.01 0.23 0.89 -0.75 4.36 4.72 1iehA8 GLN 13 HB2 -0.01 0.03 -0.06 -0.04 2.15 2.07 1iehA8 GLN 13 HB3 -0.01 0.26 0.05 -0.04 2.02 2.28 1iehA8 GLN 13 HG2 -0.01 0.04 -0.06 -0.04 2.40 2.33 1iehA8 GLN 13 HG3 -0.02 -0.19 0.04 -0.04 2.39 2.18 1iehA8 GLN 13 HE21 -0.02 -0.02 0.08 -0.04 6.97 6.97 1iehA8 GLN 13 HE22 -0.02 0.02 0.04 -0.04 7.69 7.70 1iehA8 PRO 14 HA 0.00 -0.10 0.33 -0.51 4.44 4.16 1iehA8 PRO 14 HB2 -0.00 0.09 0.18 -0.04 2.28 2.50 1iehA8 PRO 14 HB3 0.00 -0.02 0.08 -0.04 2.02 2.03 1iehA8 PRO 14 HG2 -0.00 0.14 0.10 -0.04 2.03 2.22 1iehA8 PRO 14 HG3 0.00 -0.00 0.04 -0.04 2.03 2.03 1iehA8 PRO 14 HD2 -0.01 0.36 0.24 -0.04 3.68 4.23 1iehA8 PRO 14 HD3 -0.00 0.04 0.02 -0.04 3.65 3.66 1iehA8 GLY 15 H 0.00 -0.01 0.45 -0.55 8.43 8.33 1iehA8 GLY 15 HA2 0.00 0.16 0.48 -0.51 4.01 4.14 1iehA8 GLY 15 HA3 -0.00 0.09 0.99 -0.51 4.01 4.57 1iehA8 GLY 16 H -0.01 0.07 0.23 -0.55 8.43 8.17 1iehA8 GLY 16 HA2 -0.01 0.18 0.77 -0.51 4.01 4.44 1iehA8 GLY 16 HA3 -0.02 -0.14 0.48 -0.51 4.01 3.82 1iehA8 SER 17 H -0.03 0.19 0.24 -0.55 8.46 8.31 1iehA8 SER 17 HA -0.05 0.38 0.72 -0.75 4.49 4.80 1iehA8 SER 17 HB2 -0.05 -0.07 -0.14 -0.04 3.95 3.65 1iehA8 SER 17 HB3 -0.03 0.07 0.01 -0.04 3.93 3.94 1iehA8 LEU 18 H -0.13 0.37 0.15 -0.55 8.37 8.22 1iehA8 LEU 18 HA -0.11 0.13 0.68 -0.75 4.35 4.29 1iehA8 LEU 18 HB2 -0.15 -0.03 -0.31 -0.04 1.64 1.10 1iehA8 LEU 18 HB3 -0.27 -0.07 -0.02 -0.04 1.64 1.23 1iehA8 LEU 18 HG -0.11 0.09 -0.06 -0.04 1.64 1.53 1iehA8 LEU 18 HD13 -0.16 -0.04 -0.07 -0.04 0.93 0.62 1iehA8 LEU 18 HD23 -0.14 -0.01 -0.16 -0.04 0.89 0.54 1iehA8 ARG 19 H -0.12 0.22 0.11 -0.55 8.46 8.13 1iehA8 ARG 19 HA -0.22 0.34 1.14 -0.75 4.34 4.84 1iehA8 ARG 19 HB2 -0.07 -0.04 0.00 -0.04 1.90 1.76 1iehA8 ARG 19 HB3 -0.05 0.00 0.13 -0.04 1.80 1.85 1iehA8 ARG 19 HG2 0.04 0.02 -0.35 -0.04 1.67 1.34 1iehA8 ARG 19 HG3 0.01 -0.01 -0.08 -0.04 1.67 1.56 1iehA8 ARG 19 HD2 0.04 -0.02 -0.10 -0.04 3.22 3.10 1iehA8 ARG 19 HD3 0.01 -0.00 -0.05 -0.04 3.22 3.14 1iehA8 VAL 20 H -0.41 0.45 0.34 -0.55 8.24 8.07 1iehA8 VAL 20 HA -0.18 0.23 0.94 -0.75 4.13 4.36 1iehA8 VAL 20 HB -0.25 0.04 0.01 -0.04 2.12 1.88 1iehA8 VAL 20 HG13 -0.41 0.04 -0.32 -0.04 0.97 0.24 1iehA8 VAL 20 HG23 -1.12 0.00 -0.15 -0.04 0.95 -0.36 1iehA8 SER 21 H -0.06 0.52 0.42 -0.55 8.46 8.79 1iehA8 SER 21 HA -0.04 0.45 1.08 -0.75 4.49 5.23 1iehA8 SER 21 HB2 -0.69 -0.05 0.05 -0.04 3.95 3.22 1iehA8 SER 21 HB3 -0.47 0.01 -0.17 -0.04 3.93 3.26 1iehA8 CYS 22 H 0.06 0.39 0.32 -0.55 8.50 8.73 1iehA8 CYS 22 HA 0.11 0.18 1.19 -0.75 4.58 5.30 1iehA8 CYS 22 HB2 -0.31 0.02 -0.11 -0.04 2.97 2.53 1iehA8 CYS 22 HB3 -0.27 -0.09 0.17 -0.04 2.97 2.74 1iehA8 ALA 23 H 0.06 0.38 0.28 -0.55 8.40 8.57 1iehA8 ALA 23 HA 0.11 0.15 0.83 -0.75 4.34 4.67 1iehA8 ALA 23 HB3 0.06 0.01 0.17 -0.04 1.41 1.61 1iehA8 ALA 24 H 0.20 0.47 0.41 -0.55 8.40 8.94 1iehA8 ALA 24 HA 0.09 0.08 0.81 -0.75 4.34 4.57 1iehA8 ALA 24 HB3 0.29 -0.05 -0.02 -0.04 1.41 1.59 1iehA8 SER 25 H 0.06 0.23 0.10 -0.55 8.46 8.31 1iehA8 SER 25 HA 0.04 -0.11 0.49 -0.75 4.49 4.16 1iehA8 SER 25 HB2 0.02 0.04 -0.37 -0.04 3.95 3.60 1iehA8 SER 25 HB3 0.01 0.03 0.03 -0.04 3.93 3.95 1iehA8 GLY 26 H 0.08 -0.06 0.20 -0.55 8.43 8.10 1iehA8 GLY 26 HA2 0.02 0.09 0.33 -0.51 4.01 3.93 1iehA8 GLY 26 HA3 -0.01 0.24 0.86 -0.51 4.01 4.59 1iehA8 PHE 27 H 0.29 -0.34 0.20 -0.55 8.34 7.94 1iehA8 PHE 27 HA 0.03 0.20 0.64 -0.75 4.62 4.73 1iehA8 PHE 27 HB2 -0.51 0.06 0.10 -0.04 3.15 2.76 1iehA8 PHE 27 HB3 -0.18 0.02 -0.34 -0.04 3.06 2.52 1iehA8 PHE 27 HD2 -0.48 -0.14 -0.03 -0.04 7.28 6.59 1iehA8 PHE 27 HE2 0.25 -0.02 -0.18 -0.04 7.38 7.38 1iehA8 PHE 27 HZ 0.40 -0.07 -0.27 -0.04 7.32 7.34 1iehA8 THR 28 H -0.00 -0.31 0.13 -0.55 8.28 7.55 1iehA8 THR 28 HA -0.72 -0.04 0.33 -0.75 4.39 3.21 1iehA8 THR 28 HB -0.16 0.25 0.07 -0.04 4.32 4.44 1iehA8 THR 28 HG23 -0.23 0.05 0.03 -0.04 1.22 1.04 1iehA8 PHE 29 H -0.68 0.17 0.10 -0.55 8.34 7.37 1iehA8 PHE 29 HA -0.26 0.18 0.81 -0.75 4.62 4.60 1iehA8 PHE 29 HB2 -0.03 0.18 0.14 -0.04 3.15 3.39 1iehA8 PHE 29 HB3 -0.03 -0.01 0.11 -0.04 3.06 3.09 1iehA8 PHE 29 HD2 -0.07 0.22 -0.16 -0.04 7.28 7.23 1iehA8 PHE 29 HE2 0.28 -0.14 -0.10 -0.04 7.38 7.39 1iehA8 PHE 29 HZ 0.14 0.01 -0.56 -0.04 7.32 6.86 1iehA8 SER 30 H 0.16 0.19 0.16 -0.55 8.46 8.43 1iehA8 SER 30 HA 0.03 -0.61 0.52 -0.75 4.49 3.67 1iehA8 SER 30 HB2 0.04 -0.03 0.11 -0.04 3.95 4.03 1iehA8 SER 30 HB3 0.03 0.11 -0.38 -0.04 3.93 3.66 1iehA8 SER 31 H -0.02 -0.22 -1.08 -0.55 8.46 6.60 1iehA8 SER 31 HA -0.08 0.18 0.81 -0.75 4.49 4.64 1iehA8 SER 31 HB2 -0.17 0.10 -0.06 -0.04 3.95 3.78 1iehA8 SER 31 HB3 -0.26 -0.01 0.01 -0.04 3.93 3.63 1iehA8 TYR 32 H 0.03 -0.21 0.02 -0.55 8.29 7.58 1iehA8 TYR 32 HA 0.12 0.26 0.87 -0.75 4.56 5.06 1iehA8 TYR 32 HB2 -0.26 0.15 0.09 -0.04 3.06 3.00 1iehA8 TYR 32 HB3 0.39 -0.01 0.05 -0.04 2.98 3.37 1iehA8 TYR 32 HD2 -0.01 0.20 0.06 -0.04 7.15 7.36 1iehA8 TYR 32 HE2 0.11 0.02 0.06 -0.04 6.85 7.00 1iehA8 HIS 33 H 0.52 0.26 0.18 -0.55 8.41 8.83 1iehA8 HIS 33 HA 0.18 0.22 0.92 -0.75 4.63 5.20 1iehA8 HIS 33 HB2 0.19 0.14 0.09 -0.04 3.26 3.64 1iehA8 HIS 33 HB3 0.19 -0.15 -0.05 -0.04 3.20 3.14 1iehA8 HIS 33 HD2 0.08 0.05 -0.10 -0.04 6.97 6.95 1iehA8 HIS 33 HE1 0.29 -0.05 -0.22 -0.04 7.75 7.73 1iehA8 MET 34 H 0.15 0.40 0.29 -0.55 8.47 8.76 1iehA8 MET 34 HA 0.19 0.23 1.08 -0.75 4.52 5.27 1iehA8 MET 34 HB2 0.01 0.00 -0.03 -0.04 2.15 2.09 1iehA8 MET 34 HB3 -0.07 -0.02 -0.01 -0.04 2.03 1.89 1iehA8 MET 34 HG2 0.60 0.07 -0.32 -0.04 2.63 2.94 1iehA8 MET 34 HG3 0.07 -0.04 -0.19 -0.04 2.56 2.36 1iehA8 MET 34 HE3 0.26 -0.02 -0.22 -0.04 2.10 2.08 1iehA8 ALA 35 H -0.03 0.35 0.33 -0.55 8.40 8.51 1iehA8 ALA 35 HA 0.24 0.07 0.75 -0.75 4.34 4.65 1iehA8 ALA 35 HB3 0.51 -0.02 -0.08 -0.04 1.41 1.77 1iehA8 TRP 36 H 0.35 0.57 0.29 -0.55 7.97 8.64 1iehA8 TRP 36 HA 0.10 0.13 1.02 -0.75 4.62 5.12 1iehA8 TRP 36 HB2 0.07 -0.04 0.13 -0.04 3.23 3.34 1iehA8 TRP 36 HB3 0.11 0.02 -0.02 -0.04 3.23 3.30 1iehA8 TRP 36 HD1 0.03 0.00 -0.11 -0.04 7.22 7.10 1iehA8 TRP 36 HE1 -0.01 -0.08 -0.63 -0.04 10.20 9.45 1iehA8 TRP 36 HE3 0.12 0.19 -0.13 -0.04 7.59 7.74 1iehA8 TRP 36 HZ2 -0.14 0.29 -0.25 -0.04 7.44 7.30 1iehA8 TRP 36 HZ3 0.03 -0.02 -0.42 -0.04 7.13 6.67 1iehA8 TRP 36 HH2 -0.06 0.08 -0.45 -0.04 7.19 6.72 1iehA8 VAL 37 H 0.25 0.48 0.31 -0.55 8.24 8.73 1iehA8 VAL 37 HA 0.17 0.33 0.78 -0.75 4.13 4.65 1iehA8 VAL 37 HB 0.12 -0.02 -0.21 -0.04 2.12 1.97 1iehA8 VAL 37 HG13 0.10 -0.00 -0.19 -0.04 0.97 0.83 1iehA8 VAL 37 HG23 0.23 -0.05 -0.22 -0.04 0.95 0.87 1iehA8 ARG 38 H 0.03 0.51 0.29 -0.55 8.46 8.73 1iehA8 ARG 38 HA -0.41 0.31 0.92 -0.75 4.34 4.41 1iehA8 ARG 38 HB2 -1.55 0.04 -0.16 -0.04 1.90 0.18 1iehA8 ARG 38 HB3 -0.22 -0.05 -0.07 -0.04 1.80 1.43 1iehA8 ARG 38 HG2 -0.25 -0.03 -0.53 -0.04 1.67 0.82 1iehA8 ARG 38 HG3 -0.85 0.04 -0.27 -0.04 1.67 0.55 1iehA8 ARG 38 HD2 -0.00 0.06 -0.26 -0.04 3.22 2.98 1iehA8 ARG 38 HD3 0.10 -0.04 -0.19 -0.04 3.22 3.05 1iehA8 GLN 39 H -0.17 0.79 0.20 -0.55 8.47 8.75 1iehA8 GLN 39 HA 0.02 -0.00 0.92 -0.75 4.36 4.54 1iehA8 GLN 39 HB2 0.19 -0.01 -0.16 -0.04 2.15 2.14 1iehA8 GLN 39 HB3 0.29 0.02 0.05 -0.04 2.02 2.34 1iehA8 GLN 39 HG2 0.09 0.02 -0.24 -0.04 2.40 2.23 1iehA8 GLN 39 HG3 0.05 -0.12 -0.09 -0.04 2.39 2.18 1iehA8 GLN 39 HE21 0.01 -0.18 -0.30 -0.04 6.97 6.47 1iehA8 GLN 39 HE22 -0.02 0.08 -0.14 -0.04 7.69 7.57 1iehA8 ALA 40 H -0.00 0.06 0.06 -0.55 8.40 7.97 1iehA8 ALA 40 HA 0.01 0.18 0.63 -0.75 4.34 4.40 1iehA8 ALA 40 HB3 0.01 0.04 0.00 -0.04 1.41 1.42 1iehA8 PRO 41 HA 0.03 -0.03 0.37 -0.51 4.44 4.30 1iehA8 PRO 41 HB2 0.02 0.05 0.21 -0.04 2.28 2.51 1iehA8 PRO 41 HB3 0.02 0.00 0.10 -0.04 2.02 2.11 1iehA8 PRO 41 HG2 0.02 0.07 0.12 -0.04 2.03 2.20 1iehA8 PRO 41 HG3 0.02 -0.02 0.11 -0.04 2.03 2.10 1iehA8 PRO 41 HD2 0.02 0.20 0.26 -0.04 3.68 4.12 1iehA8 PRO 41 HD3 0.02 0.11 0.39 -0.04 3.65 4.13 1iehA8 GLY 42 H 0.02 0.08 0.30 -0.55 8.43 8.28 1iehA8 GLY 42 HA2 0.01 -0.00 0.37 -0.51 4.01 3.88 1iehA8 GLY 42 HA3 0.01 0.13 0.72 -0.51 4.01 4.37 1iehA8 LYS 43 H 0.02 0.09 0.17 -0.55 8.42 8.14 1iehA8 LYS 43 HA 0.01 0.25 0.82 -0.75 4.32 4.64 1iehA8 LYS 43 HB2 0.01 0.17 -0.13 -0.04 1.87 1.88 1iehA8 LYS 43 HB3 0.01 -0.28 0.16 -0.04 1.79 1.65 1iehA8 LYS 43 HG2 0.01 -0.06 0.13 -0.04 1.46 1.49 1iehA8 LYS 43 HG3 0.01 0.16 -0.01 -0.04 1.46 1.58 1iehA8 LYS 43 HD2 0.00 -0.22 0.02 -0.04 1.69 1.45 1iehA8 LYS 43 HD3 0.01 0.02 -0.02 -0.04 1.68 1.65 1iehA8 LYS 43 HE2 0.01 0.05 -0.03 -0.04 2.99 2.98 1iehA8 LYS 43 HE3 0.01 0.05 -0.06 -0.04 2.99 2.95 1iehA8 GLY 44 H 0.01 0.16 0.14 -0.55 8.43 8.19 1iehA8 GLY 44 HA2 0.00 0.23 0.91 -0.51 4.01 4.64 1iehA8 GLY 44 HA3 0.01 0.04 0.37 -0.51 4.01 3.92 1iehA8 LEU 45 H 0.02 -0.06 -0.03 -0.55 8.37 7.75 1iehA8 LEU 45 HA 0.03 0.16 0.55 -0.75 4.35 4.33 1iehA8 LEU 45 HB2 -0.01 -0.01 -0.27 -0.04 1.64 1.31 1iehA8 LEU 45 HB3 -0.01 0.23 -0.02 -0.04 1.64 1.79 1iehA8 LEU 45 HG 0.08 -0.00 -0.11 -0.04 1.64 1.56 1iehA8 LEU 45 HD13 -0.06 0.00 -0.25 -0.04 0.93 0.58 1iehA8 LEU 45 HD23 0.01 -0.04 -0.29 -0.04 0.89 0.53 1iehA8 GLU 46 H 0.04 0.32 0.22 -0.55 8.60 8.65 1iehA8 GLU 46 HA 0.10 0.14 0.65 -0.75 4.29 4.42 1iehA8 GLU 46 HB2 0.02 0.17 -0.07 -0.04 2.09 2.17 1iehA8 GLU 46 HB3 -0.01 0.02 0.04 -0.04 1.99 2.00 1iehA8 GLU 46 HG2 -0.09 0.00 -0.03 -0.04 2.34 2.18 1iehA8 GLU 46 HG3 -0.05 -0.39 -0.10 -0.04 2.34 1.76 1iehA8 TRP 47 H 0.33 0.25 0.07 -0.55 7.97 8.07 1iehA8 TRP 47 HA 0.06 0.02 0.23 -0.75 4.62 4.17 1iehA8 TRP 47 HB2 0.19 -0.04 -0.06 -0.04 3.23 3.28 1iehA8 TRP 47 HB3 0.13 0.03 0.03 -0.04 3.23 3.38 1iehA8 TRP 47 HD1 0.23 0.06 -0.32 -0.04 7.22 7.14 1iehA8 TRP 47 HE1 0.03 0.02 -0.69 -0.04 10.20 9.52 1iehA8 TRP 47 HE3 0.08 -0.00 -0.10 -0.04 7.59 7.53 1iehA8 TRP 47 HZ2 0.10 0.03 -0.75 -0.04 7.44 6.78 1iehA8 TRP 47 HZ3 0.04 0.05 -0.13 -0.04 7.13 7.05 1iehA8 TRP 47 HH2 0.06 0.16 -0.33 -0.04 7.19 7.04 1iehA8 VAL 48 H -0.27 -0.03 -0.53 -0.55 8.24 6.86 1iehA8 VAL 48 HA -0.40 -0.11 0.32 -0.75 4.13 3.18 1iehA8 VAL 48 HB 0.06 0.65 0.11 -0.04 2.12 2.89 1iehA8 VAL 48 HG13 0.21 -0.05 -0.15 -0.04 0.97 0.94 1iehA8 VAL 48 HG23 0.06 -0.03 -0.08 -0.04 0.95 0.85 1iehA8 SER 49 H -0.15 0.84 0.60 -0.55 8.46 9.20 1iehA8 SER 49 HA -0.58 0.21 1.07 -0.75 4.49 4.44 1iehA8 SER 49 HB2 -0.66 0.03 0.03 -0.04 3.95 3.31 1iehA8 SER 49 HB3 -0.53 -0.05 -0.14 -0.04 3.93 3.17 1iehA8 THR 50 H 0.22 0.57 0.36 -0.55 8.28 8.88 1iehA8 THR 50 HA 0.37 0.14 1.08 -0.75 4.39 5.22 1iehA8 THR 50 HB 0.53 0.01 0.01 -0.04 4.32 4.82 1iehA8 THR 50 HG23 0.27 0.01 -0.24 -0.04 1.22 1.22 1iehA8 ILE 51 H 0.18 0.51 0.26 -0.55 8.25 8.64 1iehA8 ILE 51 HA 0.01 0.29 1.09 -0.75 4.18 4.82 1iehA8 ILE 51 HB 0.07 -0.01 -0.18 -0.04 1.89 1.73 1iehA8 ILE 51 HG12 -0.01 -0.02 -0.10 -0.04 1.49 1.33 1iehA8 ILE 51 HG13 -0.01 0.10 0.12 -0.04 1.21 1.38 1iehA8 ILE 51 HG23 0.01 -0.03 -0.07 -0.04 0.93 0.79 1iehA8 ILE 51 HD13 0.04 0.03 -0.04 -0.04 0.88 0.87 1iehA8 ASN 52 H -0.06 0.56 0.21 -0.55 8.53 8.70 1iehA8 ASN 52 HA -0.46 0.15 0.66 -0.75 4.76 4.35 1iehA8 ASN 52 HB2 0.07 -0.01 0.02 -0.04 2.88 2.92 1iehA8 ASN 52 HB3 -0.02 -0.17 0.09 -0.04 2.79 2.65 1iehA8 ASN 52 HD21 0.06 -0.00 -0.03 -0.04 7.03 7.02 1iehA8 ASN 52 HD22 0.01 0.08 -0.13 -0.04 7.74 7.65 1iehA8 PRO 53 HA -0.04 -0.18 0.28 -0.51 4.44 3.99 1iehA8 PRO 53 HB2 -0.03 0.06 -0.12 -0.04 2.28 2.15 1iehA8 PRO 53 HB3 -0.04 -0.02 -0.78 -0.04 2.02 1.14 1iehA8 PRO 53 HG2 -0.02 0.09 -0.17 -0.04 2.03 1.90 1iehA8 PRO 53 HG3 -0.07 0.16 -0.51 -0.04 2.03 1.56 1iehA8 PRO 53 HD2 -0.18 0.08 0.10 -0.04 3.68 3.64 1iehA8 PRO 53 HD3 -0.87 0.14 0.12 -0.04 3.65 3.00 1iehA8 GLY 54 H 0.01 -0.07 0.26 -0.55 8.43 8.08 1iehA8 GLY 54 HA2 0.01 0.00 0.39 -0.51 4.01 3.90 1iehA8 GLY 54 HA3 -0.00 0.19 0.66 -0.51 4.01 4.36 1iehA8 ASP 55 H -0.00 0.09 -0.09 -0.55 8.40 7.85 1iehA8 ASP 55 HA 0.00 -0.04 0.35 -0.75 4.63 4.19 1iehA8 ASP 55 HB2 0.02 0.02 -0.35 -0.04 2.71 2.36 1iehA8 ASP 55 HB3 0.01 0.03 0.22 -0.04 2.70 2.92 1iehA8 GLY 56 H -0.02 0.15 -0.05 -0.55 8.43 7.97 1iehA8 GLY 56 HA2 -0.00 0.14 0.60 -0.51 4.01 4.24 1iehA8 GLY 56 HA3 -0.01 0.01 0.27 -0.51 4.01 3.77 1iehA8 SER 57 H -0.02 0.14 0.10 -0.55 8.46 8.13 1iehA8 SER 57 HA -0.09 0.07 0.45 -0.75 4.49 4.16 1iehA8 SER 57 HB2 0.02 0.00 0.14 -0.04 3.95 4.07 1iehA8 SER 57 HB3 -0.18 0.01 -0.07 -0.04 3.93 3.66 1iehA8 THR 58 H -0.26 0.19 0.27 -0.55 8.28 7.93 1iehA8 THR 58 HA -0.31 0.25 1.01 -0.75 4.39 4.58 1iehA8 THR 58 HB 0.23 -0.08 -0.01 -0.04 4.32 4.42 1iehA8 THR 58 HG23 0.07 0.01 0.15 -0.04 1.22 1.40 1iehA8 TYR 59 H 0.00 0.53 0.29 -0.55 8.29 8.57 1iehA8 TYR 59 HA 0.31 0.15 0.94 -0.75 4.56 5.21 1iehA8 TYR 59 HB2 0.34 -0.04 -0.03 -0.04 3.06 3.29 1iehA8 TYR 59 HB3 0.24 0.05 0.05 -0.04 2.98 3.29 1iehA8 TYR 59 HD2 0.07 0.01 -0.13 -0.04 7.15 7.06 1iehA8 TYR 59 HE2 0.14 0.02 -0.19 -0.04 6.85 6.78 1iehA8 TYR 60 H 0.49 0.20 0.21 -0.55 8.29 8.64 1iehA8 TYR 60 HA -0.22 0.39 1.12 -0.75 4.56 5.10 1iehA8 TYR 60 HB2 -0.02 0.01 0.08 -0.04 3.06 3.09 1iehA8 TYR 60 HB3 -0.16 -0.18 0.05 -0.04 2.98 2.65 1iehA8 TYR 60 HD2 -0.01 -0.08 -0.32 -0.04 7.15 6.70 1iehA8 TYR 60 HE2 0.05 0.09 -0.14 -0.04 6.85 6.81 1iehA8 ALA 61 H -0.54 0.53 0.26 -0.55 8.40 8.11 1iehA8 ALA 61 HA -0.28 0.19 0.45 -0.75 4.34 3.95 1iehA8 ALA 61 HB3 -0.34 0.02 0.17 -0.04 1.41 1.22 1iehA8 ASP 62 H 0.02 0.02 -1.03 -0.55 8.40 6.86 1iehA8 ASP 62 HA 0.02 0.04 0.33 -0.75 4.63 4.26 1iehA8 ASP 62 HB2 0.02 0.24 0.24 -0.04 2.71 3.16 1iehA8 ASP 62 HB3 0.02 0.01 0.11 -0.04 2.70 2.81 1iehA8 SER 63 H -0.07 0.17 -1.16 -0.55 8.46 6.85 1iehA8 SER 63 HA -0.07 0.27 0.75 -0.75 4.49 4.69 1iehA8 SER 63 HB2 -0.06 0.08 0.04 -0.04 3.95 3.97 1iehA8 SER 63 HB3 -0.09 -0.02 -0.02 -0.04 3.93 3.76 1iehA8 VAL 64 H -0.09 -0.11 -0.24 -0.55 8.24 7.25 1iehA8 VAL 64 HA -0.29 0.30 0.82 -0.75 4.13 4.20 1iehA8 VAL 64 HB -0.04 -0.02 0.03 -0.04 2.12 2.05 1iehA8 VAL 64 HG13 -0.39 0.03 -0.15 -0.04 0.97 0.42 1iehA8 VAL 64 HG23 -0.09 -0.00 0.02 -0.04 0.95 0.84 1iehA8 LYS 65 H -0.11 0.01 -0.28 -0.55 8.42 7.49 1iehA8 LYS 65 HA -0.66 0.04 0.43 -0.75 4.32 3.37 1iehA8 LYS 65 HB2 -0.11 0.12 0.09 -0.04 1.87 1.92 1iehA8 LYS 65 HB3 -0.18 0.11 -0.01 -0.04 1.79 1.67 1iehA8 LYS 65 HG2 -0.02 -0.27 0.04 -0.04 1.46 1.17 1iehA8 LYS 65 HG3 -0.04 0.10 0.06 -0.04 1.46 1.54 1iehA8 LYS 65 HD2 -0.77 0.01 0.06 -0.04 1.69 0.94 1iehA8 LYS 65 HD3 -0.05 -0.07 0.02 -0.04 1.68 1.55 1iehA8 LYS 65 HE2 -0.04 0.02 0.04 -0.04 2.99 2.97 1iehA8 LYS 65 HE3 -0.16 0.04 -0.00 -0.04 2.99 2.83 1iehA8 GLY 66 H -0.42 0.19 0.21 -0.55 8.43 7.86 1iehA8 GLY 66 HA2 -0.13 0.01 0.34 -0.51 4.01 3.72 1iehA8 GLY 66 HA3 -0.12 0.16 0.61 -0.51 4.01 4.14 1iehA8 ARG 67 H -0.18 0.13 -1.14 -0.55 8.46 6.72 1iehA8 ARG 67 HA -0.09 0.17 0.39 -0.75 4.34 4.05 1iehA8 ARG 67 HB2 -0.27 0.07 -0.06 -0.04 1.90 1.60 1iehA8 ARG 67 HB3 -0.51 -0.07 0.16 -0.04 1.80 1.33 1iehA8 ARG 67 HG2 -1.33 -0.08 -0.10 -0.04 1.67 0.12 1iehA8 ARG 67 HG3 -0.33 -0.03 -0.20 -0.04 1.67 1.06 1iehA8 ARG 67 HD2 -0.12 -0.16 -0.05 -0.04 3.22 2.85 1iehA8 ARG 67 HD3 -0.18 0.11 -0.03 -0.04 3.22 3.07 1iehA8 PHE 68 H -0.04 0.36 0.10 -0.55 8.34 8.21 1iehA8 PHE 68 HA -0.01 0.34 1.01 -0.75 4.62 5.21 1iehA8 PHE 68 HB2 0.13 -0.04 -0.10 -0.04 3.15 3.11 1iehA8 PHE 68 HB3 -0.00 -0.05 -0.12 -0.04 3.06 2.84 1iehA8 PHE 68 HD2 0.04 0.14 -0.30 -0.04 7.28 7.13 1iehA8 PHE 68 HE2 0.13 -0.03 -0.18 -0.04 7.38 7.25 1iehA8 PHE 68 HZ 0.13 -0.05 -0.13 -0.04 7.32 7.23 1iehA8 THR 69 H 0.13 0.23 0.15 -0.55 8.28 8.24 1iehA8 THR 69 HA 0.27 0.17 0.93 -0.75 4.39 5.01 1iehA8 THR 69 HB 0.04 -0.10 0.17 -0.04 4.32 4.40 1iehA8 THR 69 HG23 0.07 0.00 -0.20 -0.04 1.22 1.06 1iehA8 ILE 70 H 0.28 0.21 0.08 -0.55 8.25 8.27 1iehA8 ILE 70 HA 0.17 0.26 1.01 -0.75 4.18 4.86 1iehA8 ILE 70 HB 0.13 -0.04 -0.06 -0.04 1.89 1.89 1iehA8 ILE 70 HG12 0.13 -0.02 -0.37 -0.04 1.49 1.19 1iehA8 ILE 70 HG13 0.27 0.14 -0.22 -0.04 1.21 1.36 1iehA8 ILE 70 HG23 -0.04 0.01 0.00 -0.04 0.93 0.87 1iehA8 ILE 70 HD13 0.32 -0.01 -0.20 -0.04 0.88 0.95 1iehA8 SER 71 H 0.20 0.73 0.34 -0.55 8.46 9.19 1iehA8 SER 71 HA 0.09 0.12 0.64 -0.75 4.49 4.59 1iehA8 SER 71 HB2 0.06 0.10 -0.05 -0.04 3.95 4.02 1iehA8 SER 71 HB3 0.07 -0.04 -0.19 -0.04 3.93 3.73 1iehA8 ARG 72 H 0.06 0.31 0.22 -0.55 8.46 8.49 1iehA8 ARG 72 HA 0.23 0.07 0.61 -0.75 4.34 4.50 1iehA8 ARG 72 HB2 -0.07 0.24 0.36 -0.04 1.90 2.39 1iehA8 ARG 72 HB3 -0.03 -0.05 -0.21 -0.04 1.80 1.47 1iehA8 ARG 72 HG2 0.03 -0.02 -0.18 -0.04 1.67 1.46 1iehA8 ARG 72 HG3 -0.01 0.20 0.01 -0.04 1.67 1.82 1iehA8 ARG 72 HD2 -0.49 -0.03 -0.08 -0.04 3.22 2.57 1iehA8 ARG 72 HD3 -0.09 -0.03 -0.17 -0.04 3.22 2.89 1iehA8 ASP 73 H 0.24 0.26 0.21 -0.55 8.40 8.56 1iehA8 ASP 73 HA 0.07 0.24 0.86 -0.75 4.63 5.05 1iehA8 ASP 73 HB2 0.10 0.05 0.06 -0.04 2.71 2.89 1iehA8 ASP 73 HB3 0.17 -0.05 0.08 -0.04 2.70 2.87 1iehA8 ASN 74 H 0.08 -0.03 0.24 -0.55 8.53 8.27 1iehA8 ASN 74 HA 0.13 0.20 0.91 -0.75 4.76 5.25 1iehA8 ASN 74 HB2 0.03 0.07 -0.02 -0.04 2.88 2.92 1iehA8 ASN 74 HB3 0.06 0.04 -0.03 -0.04 2.79 2.82 1iehA8 ASN 74 HD21 0.04 0.06 -0.09 -0.04 7.03 7.00 1iehA8 ASN 74 HD22 0.03 0.05 0.03 -0.04 7.74 7.80 1iehA8 ALA 75 H 0.05 -0.11 0.22 -0.55 8.40 8.02 1iehA8 ALA 75 HA 0.01 0.19 0.59 -0.75 4.34 4.37 1iehA8 ALA 75 HB3 0.02 0.01 0.10 -0.04 1.41 1.50 1iehA8 LYS 76 H 0.09 -0.11 -0.05 -0.55 8.42 7.80 1iehA8 LYS 76 HA 0.04 0.27 0.82 -0.75 4.32 4.70 1iehA8 LYS 76 HB2 0.15 -0.07 0.03 -0.04 1.87 1.94 1iehA8 LYS 76 HB3 0.15 0.01 -0.02 -0.04 1.79 1.89 1iehA8 LYS 76 HG2 0.06 0.10 -0.15 -0.04 1.46 1.43 1iehA8 LYS 76 HG3 0.08 -0.01 -0.05 -0.04 1.46 1.43 1iehA8 LYS 76 HD2 0.12 -0.01 -0.04 -0.04 1.69 1.71 1iehA8 LYS 76 HD3 0.08 0.02 -0.00 -0.04 1.68 1.73 1iehA8 LYS 76 HE2 0.05 -0.01 -0.04 -0.04 2.99 2.95 1iehA8 LYS 76 HE3 0.07 0.01 -0.03 -0.04 2.99 3.00 1iehA8 ASN 77 H 0.06 0.22 0.05 -0.55 8.53 8.32 1iehA8 ASN 77 HA -0.35 0.14 0.78 -0.75 4.76 4.57 1iehA8 ASN 77 HB2 -0.01 0.05 0.19 -0.04 2.88 3.07 1iehA8 ASN 77 HB3 0.03 0.18 0.08 -0.04 2.79 3.03 1iehA8 ASN 77 HD21 -0.02 0.13 0.11 -0.04 7.03 7.21 1iehA8 ASN 77 HD22 -0.09 -0.13 0.07 -0.04 7.74 7.55 1iehA8 THR 78 H 0.68 0.29 -0.21 -0.55 8.28 8.49 1iehA8 THR 78 HA 0.29 0.47 1.08 -0.75 4.39 5.47 1iehA8 THR 78 HB 0.10 0.02 -0.16 -0.04 4.32 4.24 1iehA8 THR 78 HG23 0.10 0.05 -0.18 -0.04 1.22 1.15 1iehA8 LEU 79 H 0.06 0.37 0.37 -0.55 8.37 8.62 1iehA8 LEU 79 HA 0.07 0.17 1.00 -0.75 4.35 4.84 1iehA8 LEU 79 HB2 -0.32 -0.04 0.01 -0.04 1.64 1.24 1iehA8 LEU 79 HB3 -0.51 -0.04 0.01 -0.04 1.64 1.06 1iehA8 LEU 79 HG 0.14 0.15 -0.05 -0.04 1.64 1.84 1iehA8 LEU 79 HD13 -0.32 0.00 -0.10 -0.04 0.93 0.47 1iehA8 LEU 79 HD23 -0.71 -0.03 -0.18 -0.04 0.89 -0.08 1iehA8 TYR 80 H 0.55 0.63 0.46 -0.55 8.29 9.37 1iehA8 TYR 80 HA 0.20 0.36 1.15 -0.75 4.56 5.52 1iehA8 TYR 80 HB2 0.09 0.03 -0.06 -0.04 3.06 3.09 1iehA8 TYR 80 HB3 -0.00 -0.01 -0.00 -0.04 2.98 2.93 1iehA8 TYR 80 HD2 0.07 0.01 -0.22 -0.04 7.15 6.97 1iehA8 TYR 80 HE2 0.09 -0.02 -0.17 -0.04 6.85 6.72 1iehA8 LEU 81 H -0.30 0.45 0.30 -0.55 8.37 8.27 1iehA8 LEU 81 HA -0.17 0.52 0.94 -0.75 4.35 4.89 1iehA8 LEU 81 HB2 -1.32 0.01 -0.20 -0.04 1.64 0.09 1iehA8 LEU 81 HB3 -1.25 -0.06 -0.02 -0.04 1.64 0.27 1iehA8 LEU 81 HG -0.25 -0.06 -0.20 -0.04 1.64 1.09 1iehA8 LEU 81 HD13 0.10 -0.05 -0.37 -0.04 0.93 0.56 1iehA8 LEU 81 HD23 -0.54 -0.01 -0.21 -0.04 0.89 0.09 1iehA8 GLN 82 H -0.09 0.52 0.31 -0.55 8.47 8.67 1iehA8 GLN 82 HA -0.17 0.18 0.92 -0.75 4.36 4.53 1iehA8 GLN 82 HB2 -0.04 0.00 0.02 -0.04 2.15 2.10 1iehA8 GLN 82 HB3 -0.02 0.00 0.17 -0.04 2.02 2.13 1iehA8 GLN 82 HG2 -0.03 0.04 -0.09 -0.04 2.40 2.29 1iehA8 GLN 82 HG3 -0.06 0.01 -0.24 -0.04 2.39 2.06 1iehA8 GLN 82 HE21 -0.03 0.00 -0.09 -0.04 6.97 6.81 1iehA8 GLN 82 HE22 -0.03 -0.00 -0.10 -0.04 7.69 7.52 1iehA8 MET 83 H -0.30 0.76 0.24 -0.55 8.47 8.61 1iehA8 MET 83 HA -0.13 0.10 0.65 -0.75 4.52 4.38 1iehA8 MET 83 HB2 -0.37 -0.03 0.26 -0.04 2.15 1.97 1iehA8 MET 83 HB3 -0.49 -0.07 -0.01 -0.04 2.03 1.43 1iehA8 MET 83 HG2 -1.66 -0.03 -0.10 -0.04 2.63 0.80 1iehA8 MET 83 HG3 -0.87 -0.05 -0.14 -0.04 2.56 1.46 1iehA8 MET 83 HE3 -1.54 -0.01 -0.12 -0.04 2.10 0.39 1iehA8 ASN 84 H 0.18 0.58 0.29 -0.55 8.53 9.04 1iehA8 ASN 84 HA 0.01 0.17 0.95 -0.75 4.76 5.14 1iehA8 ASN 84 HB2 0.04 0.05 0.15 -0.04 2.88 3.08 1iehA8 ASN 84 HB3 0.02 0.05 0.20 -0.04 2.79 3.02 1iehA8 ASN 84 HD21 0.00 0.02 -0.07 -0.04 7.03 6.94 1iehA8 ASN 84 HD22 -0.01 -0.04 -0.08 -0.04 7.74 7.56 1iehA8 SER 85 H 0.05 0.21 -0.20 -0.55 8.46 7.98 1iehA8 SER 85 HA 0.02 0.16 0.35 -0.75 4.49 4.27 1iehA8 SER 85 HB2 0.03 -0.10 0.00 -0.04 3.95 3.84 1iehA8 SER 85 HB3 0.01 0.29 0.13 -0.04 3.93 4.32 1iehA8 LEU 86 H 0.12 0.12 -0.03 -0.55 8.37 8.04 1iehA8 LEU 86 HA 0.07 -0.15 0.38 -0.75 4.35 3.90 1iehA8 LEU 86 HB2 0.01 0.07 0.08 -0.04 1.64 1.76 1iehA8 LEU 86 HB3 0.02 -0.06 0.01 -0.04 1.64 1.56 1iehA8 LEU 86 HG -0.02 0.02 -0.19 -0.04 1.64 1.41 1iehA8 LEU 86 HD13 0.06 -0.01 -0.08 -0.04 0.93 0.87 1iehA8 LEU 86 HD23 -0.01 0.06 -0.50 -0.04 0.89 0.40 1iehA8 LYS 87 H 0.03 -0.02 0.04 -0.55 8.42 7.92 1iehA8 LYS 87 HA 0.01 0.36 0.81 -0.75 4.32 4.75 1iehA8 LYS 87 HB2 0.00 0.09 0.17 -0.04 1.87 2.08 1iehA8 LYS 87 HB3 0.00 0.13 -0.06 -0.04 1.79 1.82 1iehA8 LYS 87 HG2 0.01 -0.27 0.04 -0.04 1.46 1.20 1iehA8 LYS 87 HG3 -0.00 0.11 -0.00 -0.04 1.46 1.52 1iehA8 LYS 87 HD2 -0.01 0.14 -0.15 -0.04 1.69 1.63 1iehA8 LYS 87 HD3 0.01 -0.20 -0.13 -0.04 1.68 1.32 1iehA8 LYS 87 HE2 -0.05 -0.03 -0.04 -0.04 2.99 2.83 1iehA8 LYS 87 HE3 -0.02 0.03 -0.04 -0.04 2.99 2.91 1iehA8 SER 88 H 0.02 0.11 -0.27 -0.55 8.46 7.77 1iehA8 SER 88 HA 0.01 0.07 0.28 -0.75 4.49 4.10 1iehA8 SER 88 HB2 0.01 0.20 0.05 -0.04 3.95 4.16 1iehA8 SER 88 HB3 0.01 0.02 0.17 -0.04 3.93 4.08 1iehA8 GLU 89 H 0.02 -0.39 -0.67 -0.55 8.60 7.03 1iehA8 GLU 89 HA 0.02 0.30 0.87 -0.75 4.29 4.72 1iehA8 GLU 89 HB2 0.01 0.13 -0.08 -0.04 2.09 2.11 1iehA8 GLU 89 HB3 0.01 -0.17 -0.05 -0.04 1.99 1.74 1iehA8 GLU 89 HG2 0.00 -0.03 -0.08 -0.04 2.34 2.19 1iehA8 GLU 89 HG3 0.02 0.02 -0.34 -0.04 2.34 1.99 1iehA8 ASP 90 H 0.05 -0.32 -0.01 -0.55 8.40 7.58 1iehA8 ASP 90 HA 0.09 0.14 0.29 -0.75 4.63 4.40 1iehA8 ASP 90 HB2 0.10 -0.20 0.17 -0.04 2.71 2.74 1iehA8 ASP 90 HB3 0.16 -0.03 0.10 -0.04 2.70 2.89 1iehA8 THR 91 H 0.09 -0.07 -0.01 -0.55 8.28 7.74 1iehA8 THR 91 HA 0.06 0.06 0.51 -0.75 4.39 4.27 1iehA8 THR 91 HB 0.04 0.23 0.00 -0.04 4.32 4.55 1iehA8 THR 91 HG23 0.02 0.00 0.00 -0.04 1.22 1.20 1iehA8 ALA 92 H 0.16 0.44 0.24 -0.55 8.40 8.69 1iehA8 ALA 92 HA 0.03 0.11 0.55 -0.75 4.34 4.28 1iehA8 ALA 92 HB3 -0.03 0.06 -0.35 -0.04 1.41 1.05 1iehA8 VAL 93 H -0.03 0.51 0.24 -0.55 8.24 8.40 1iehA8 VAL 93 HA -0.02 0.19 0.85 -0.75 4.13 4.41 1iehA8 VAL 93 HB -0.09 -0.02 0.06 -0.04 2.12 2.02 1iehA8 VAL 93 HG13 -0.40 0.06 -0.24 -0.04 0.97 0.34 1iehA8 VAL 93 HG23 0.03 0.02 -0.05 -0.04 0.95 0.90 1iehA8 TYR 94 H -0.08 0.55 0.35 -0.55 8.29 8.56 1iehA8 TYR 94 HA -0.14 0.27 1.13 -0.75 4.56 5.06 1iehA8 TYR 94 HB2 -0.09 -0.08 0.06 -0.04 3.06 2.91 1iehA8 TYR 94 HB3 0.15 0.04 -0.03 -0.04 2.98 3.10 1iehA8 TYR 94 HD2 -0.07 0.06 -0.23 -0.04 7.15 6.87 1iehA8 TYR 94 HE2 -0.05 -0.01 -0.18 -0.04 6.85 6.56 1iehA8 TYR 95 H 0.26 0.60 0.18 -0.55 8.29 8.77 1iehA8 TYR 95 HA 0.15 0.02 0.83 -0.75 4.56 4.80 1iehA8 TYR 95 HB2 -0.02 -0.08 -0.24 -0.04 3.06 2.68 1iehA8 TYR 95 HB3 0.03 0.16 0.01 -0.04 2.98 3.15 1iehA8 TYR 95 HD2 0.04 -0.04 -0.29 -0.04 7.15 6.82 1iehA8 TYR 95 HE2 0.01 0.02 -0.23 -0.04 6.85 6.60 1iehA8 CYS 96 H -0.04 0.13 0.04 -0.55 8.50 8.08 1iehA8 CYS 96 HA -0.50 0.37 1.13 -0.75 4.58 4.82 1iehA8 CYS 96 HB2 -0.99 0.08 0.02 -0.04 2.97 2.04 1iehA8 CYS 96 HB3 -1.27 -0.03 -0.11 -0.04 2.97 1.52 1iehA8 ALA 97 H -0.26 0.63 0.33 -0.55 8.40 8.55 1iehA8 ALA 97 HA -0.34 0.16 0.72 -0.75 4.34 4.13 1iehA8 ALA 97 HB3 -0.82 0.00 -0.02 -0.04 1.41 0.53 1iehA8 LYS 98 H -1.02 0.17 0.12 -0.55 8.42 7.14 1iehA8 LYS 98 HA 0.10 0.23 0.97 -0.75 4.32 4.87 1iehA8 LYS 98 HB2 -0.13 -0.06 0.00 -0.04 1.87 1.65 1iehA8 LYS 98 HB3 0.21 -0.03 0.12 -0.04 1.79 2.05 1iehA8 LYS 98 HG2 0.29 0.30 0.02 -0.04 1.46 2.02 1iehA8 LYS 98 HG3 0.25 -0.06 -0.01 -0.04 1.46 1.60 1iehA8 LYS 98 HD2 0.16 -0.13 -0.21 -0.04 1.69 1.47 1iehA8 LYS 98 HD3 0.16 0.13 -0.24 -0.04 1.68 1.70 1iehA8 LYS 98 HE2 0.16 -0.04 -0.01 -0.04 2.99 3.05 1iehA8 LYS 98 HE3 0.06 0.02 -0.03 -0.04 2.99 3.00 1iehA8 TYR 99 H 0.24 0.49 -0.01 -0.55 8.29 8.46 1iehA8 TYR 99 HA -0.13 0.00 0.45 -0.75 4.56 4.13 1iehA8 TYR 99 HB2 0.04 0.04 -0.21 -0.04 3.06 2.88 1iehA8 TYR 99 HB3 -0.13 0.06 -0.30 -0.04 2.98 2.57 1iehA8 TYR 99 HD2 -0.15 -0.07 -0.29 -0.04 7.15 6.60 1iehA8 TYR 99 HE2 -0.37 0.00 -0.46 -0.04 6.85 5.97 1iehA8 SER 100 H 0.07 -0.00 0.04 -0.55 8.46 8.02 1iehA8 SER 100 HA 0.12 0.26 0.86 -0.75 4.49 4.97 1iehA8 SER 100 HB2 0.00 0.01 0.18 -0.04 3.95 4.10 1iehA8 SER 100 HB3 0.03 0.03 0.00 -0.04 3.93 3.95 1iehA8 GLY 101 H 0.05 -0.24 0.18 -0.55 8.43 7.87 1iehA8 GLY 101 HA2 -0.10 0.24 0.68 -0.51 4.01 4.33 1iehA8 GLY 101 HA3 -0.04 0.08 0.26 -0.51 4.01 3.80 1iehA8 GLY 102 H 0.02 -0.28 0.22 -0.55 8.43 7.86 1iehA8 GLY 102 HA2 -0.22 0.11 0.35 -0.51 4.01 3.75 1iehA8 GLY 102 HA3 -0.10 0.13 0.34 -0.51 4.01 3.87 1iehA8 ALA 103 H 0.08 -0.28 0.14 -0.55 8.40 7.79 1iehA8 ALA 103 HA -0.03 0.15 0.77 -0.75 4.34 4.48 1iehA8 ALA 103 HB3 -0.05 0.06 0.01 -0.04 1.41 1.38 1iehA8 LEU 104 H -0.48 0.13 0.01 -0.55 8.37 7.48 1iehA8 LEU 104 HA -0.89 0.07 0.38 -0.75 4.35 3.15 1iehA8 LEU 104 HB2 -1.20 0.00 -0.05 -0.04 1.64 0.35 1iehA8 LEU 104 HB3 -0.41 0.07 -0.14 -0.04 1.64 1.12 1iehA8 LEU 104 HG -0.59 -0.30 -0.07 -0.04 1.64 0.64 1iehA8 LEU 104 HD13 -0.77 0.05 -0.54 -0.04 0.93 -0.37 1iehA8 LEU 104 HD23 -0.11 0.02 -0.18 -0.04 0.89 0.58 1iehA8 ASP 105 H -0.74 0.01 0.09 -0.55 8.40 7.21 1iehA8 ASP 105 HA -0.25 0.26 0.83 -0.75 4.63 4.72 1iehA8 ASP 105 HB2 -0.50 -0.02 0.08 -0.04 2.71 2.23 1iehA8 ASP 105 HB3 -0.41 0.05 -0.12 -0.04 2.70 2.19 1iehA8 ALA 106 H -0.85 -0.19 -0.04 -0.55 8.40 6.78 1iehA8 ALA 106 HA -0.46 -0.15 0.17 -0.75 4.34 3.15 1iehA8 ALA 106 HB3 -0.29 0.08 -0.21 -0.04 1.41 0.94 1iehA8 TRP 107 H -0.27 0.01 -0.15 -0.55 7.97 7.02 1iehA8 TRP 107 HA -0.13 0.34 0.84 -0.75 4.62 4.92 1iehA8 TRP 107 HB2 -0.11 -0.07 0.24 -0.04 3.23 3.25 1iehA8 TRP 107 HB3 -0.09 0.08 0.24 -0.04 3.23 3.42 1iehA8 TRP 107 HD1 -0.11 0.23 -0.16 -0.04 7.22 7.13 1iehA8 TRP 107 HE1 -0.11 0.06 -0.11 -0.04 10.20 10.00 1iehA8 TRP 107 HE3 -0.20 -0.05 0.02 -0.04 7.59 7.32 1iehA8 TRP 107 HZ2 -0.14 0.05 0.01 -0.04 7.44 7.32 1iehA8 TRP 107 HZ3 -0.43 -0.03 -0.03 -0.04 7.13 6.60 1iehA8 TRP 107 HH2 -0.24 0.05 0.04 -0.04 7.19 7.00 1iehA8 GLY 108 H 0.29 0.04 0.15 -0.55 8.43 8.36 1iehA8 GLY 108 HA2 0.12 0.12 -0.12 -0.51 4.01 3.62 1iehA8 GLY 108 HA3 0.17 -0.14 0.46 -0.51 4.01 3.99 1iehA8 GLN 109 H 0.12 -0.55 0.42 -0.55 8.47 7.92 1iehA8 GLN 109 HA 0.10 0.22 0.71 -0.75 4.36 4.63 1iehA8 GLN 109 HB2 0.08 -0.16 0.24 -0.04 2.15 2.27 1iehA8 GLN 109 HB3 0.08 0.13 0.01 -0.04 2.02 2.20 1iehA8 GLN 109 HG2 0.05 0.04 0.08 -0.04 2.40 2.54 1iehA8 GLN 109 HG3 0.05 0.03 0.06 -0.04 2.39 2.49 1iehA8 GLN 109 HE21 0.03 -0.01 0.01 -0.04 6.97 6.95 1iehA8 GLN 109 HE22 0.04 0.03 0.02 -0.04 7.69 7.73 1iehA8 GLY 110 H 0.18 -0.18 0.14 -0.55 8.43 8.02 1iehA8 GLY 110 HA2 0.04 0.00 0.27 -0.51 4.01 3.81 1iehA8 GLY 110 HA3 0.23 0.26 0.82 -0.51 4.01 4.81 1iehA8 THR 111 H -0.06 0.43 0.23 -0.55 8.28 8.33 1iehA8 THR 111 HA 0.02 0.19 0.80 -0.75 4.39 4.64 1iehA8 THR 111 HB 0.05 0.01 -0.16 -0.04 4.32 4.19 1iehA8 THR 111 HG23 0.05 0.03 0.06 -0.04 1.22 1.32 1iehA8 GLN 112 H 0.00 0.19 0.12 -0.55 8.47 8.24 1iehA8 GLN 112 HA 0.01 0.10 0.56 -0.75 4.36 4.27 1iehA8 GLN 112 HB2 0.01 0.06 -0.00 -0.04 2.15 2.18 1iehA8 GLN 112 HB3 0.00 -0.00 0.13 -0.04 2.02 2.10 1iehA8 GLN 112 HG2 0.00 -0.00 -0.13 -0.04 2.40 2.23 1iehA8 GLN 112 HG3 0.01 0.00 -0.55 -0.04 2.39 1.81 1iehA8 GLN 112 HE21 0.02 0.02 -0.29 -0.04 6.97 6.68 1iehA8 GLN 112 HE22 0.02 0.03 -0.15 -0.04 7.69 7.55 1iehA8 VAL 113 H 0.06 0.45 0.19 -0.55 8.24 8.38 1iehA8 VAL 113 HA -0.07 0.10 0.95 -0.75 4.13 4.36 1iehA8 VAL 113 HB 0.14 0.30 0.23 -0.04 2.12 2.74 1iehA8 VAL 113 HG13 -0.26 -0.02 -0.11 -0.04 0.97 0.53 1iehA8 VAL 113 HG23 -0.30 -0.03 -0.11 -0.04 0.95 0.47 1iehA8 THR 114 H -0.03 0.57 0.20 -0.55 8.28 8.47 1iehA8 THR 114 HA 0.02 0.04 0.92 -0.75 4.39 4.61 1iehA8 THR 114 HB -0.00 0.03 -0.10 -0.04 4.32 4.20 1iehA8 THR 114 HG23 0.01 -0.01 -0.22 -0.04 1.22 0.95 1iehA8 VAL 115 H 0.01 0.18 0.09 -0.55 8.24 7.97 1iehA8 VAL 115 HA -0.02 0.00 0.95 -0.75 4.13 4.31 1iehA8 VAL 115 HB 0.00 -0.02 -0.07 -0.04 2.12 1.99 1iehA8 VAL 115 HG13 0.02 -0.05 0.07 -0.04 0.97 0.98 1iehA8 VAL 115 HG23 0.00 0.01 -0.29 -0.04 0.95 0.62 1iehA8 SER 116 H -0.01 0.25 0.13 -0.55 8.46 8.28 1iehA8 SER 116 HA -0.00 0.06 0.61 -0.75 4.49 4.40 1iehA8 SER 116 HB2 -0.00 -0.12 -0.35 -0.04 3.95 3.44 1iehA8 SER 116 HB3 -0.00 -0.01 0.03 -0.04 3.93 3.90 1iehA8 SER 117 H -0.01 0.23 0.11 -0.55 8.46 8.26 1iehA8 SER 117 HA -0.01 -0.03 0.54 -0.75 4.49 4.24 1iehA8 SER 117 HB2 -0.01 0.19 -0.70 -0.04 3.95 3.38 1iehA8 SER 117 HB3 -0.01 -0.09 -0.08 -0.04 3.93 3.71 1iehA8 GLN 118 H -0.00 0.06 0.09 -0.55 8.47 8.07 1iehA8 GLN 118 HA -0.00 -0.02 0.36 -0.75 4.36 3.94 1iehA8 GLN 118 HB2 -0.00 -0.11 0.13 -0.04 2.15 2.13 1iehA8 GLN 118 HB3 -0.01 -0.04 -0.20 -0.04 2.02 1.73 1iehA8 GLN 118 HG2 -0.01 0.28 -0.04 -0.04 2.40 2.60 1iehA8 GLN 118 HG3 -0.01 0.08 -0.06 -0.04 2.39 2.36 1iehA8 GLN 118 HE21 -0.01 -0.04 -0.07 -0.04 6.97 6.82 1iehA8 GLN 118 HE22 -0.01 -0.08 -0.07 -0.04 7.69 7.49 1iehA8 SER 119 H -0.00 -0.05 0.20 -0.55 8.46 8.06 1iehA8 SER 119 HA -0.00 0.26 0.97 -0.75 4.49 4.97 1iehA8 SER 119 HB2 -0.00 0.05 0.01 -0.04 3.95 3.97 1iehA8 SER 119 HB3 -0.00 -0.09 0.12 -0.04 3.93 3.91 1iehA8 GLU 120 H -0.00 -0.10 0.20 -0.55 8.60 8.15 1iehA8 GLU 120 HA -0.01 0.12 0.53 -0.75 4.29 4.18 1iehA8 GLU 120 HB2 -0.00 0.01 0.09 -0.04 2.09 2.15 1iehA8 GLU 120 HB3 -0.01 -0.06 0.18 -0.04 1.99 2.06 1iehA8 GLU 120 HG2 -0.00 0.01 0.07 -0.04 2.34 2.37 1iehA8 GLU 120 HG3 -0.00 -0.04 0.06 -0.04 2.34 2.31 1iehA8 GLN 121 H -0.01 -0.18 0.25 -0.55 8.47 7.99 1iehA8 GLN 121 HA -0.01 0.18 0.65 -0.75 4.36 4.43 1iehA8 GLN 121 HB2 -0.01 0.13 -0.24 -0.04 2.15 2.00 1iehA8 GLN 121 HB3 -0.01 -0.05 -0.03 -0.04 2.02 1.89 1iehA8 GLN 121 HG2 -0.01 -0.05 -0.00 -0.04 2.40 2.30 1iehA8 GLN 121 HG3 -0.01 -0.00 0.11 -0.04 2.39 2.45 1iehA8 GLN 121 HE21 -0.01 -0.08 -0.03 -0.04 6.97 6.80 1iehA8 GLN 121 HE22 -0.01 0.09 -0.01 -0.04 7.69 7.72 1iehA8 LYS 122 H -0.01 -0.25 0.22 -0.55 8.42 7.83 1iehA8 LYS 122 HA -0.01 0.22 0.80 -0.75 4.32 4.58 1iehA8 LYS 122 HB2 -0.01 -0.09 0.13 -0.04 1.87 1.86 1iehA8 LYS 122 HB3 -0.01 0.10 0.00 -0.04 1.79 1.84 1iehA8 LYS 122 HG2 -0.01 0.03 0.06 -0.04 1.46 1.50 1iehA8 LYS 122 HG3 -0.01 0.02 -0.04 -0.04 1.46 1.38 1iehA8 LYS 122 HD2 -0.02 -0.01 -0.02 -0.04 1.69 1.60 1iehA8 LYS 122 HD3 -0.02 0.05 -0.01 -0.04 1.68 1.66 1iehA8 LYS 122 HE2 -0.02 -0.08 0.02 -0.04 2.99 2.87 1iehA8 LYS 122 HE3 -0.03 -0.00 -0.01 -0.04 2.99 2.92 1iehA8 LEU 123 H -0.01 0.15 0.12 -0.55 8.37 8.08 1iehA8 LEU 123 HA -0.00 0.17 0.70 -0.75 4.35 4.45 1iehA8 LEU 123 HB2 -0.00 0.04 -0.02 -0.04 1.64 1.62 1iehA8 LEU 123 HB3 -0.00 -0.01 0.09 -0.04 1.64 1.67 1iehA8 LEU 123 HG -0.00 0.00 -0.16 -0.04 1.64 1.44 1iehA8 LEU 123 HD13 -0.00 0.02 0.00 -0.04 0.93 0.91 1iehA8 LEU 123 HD23 -0.00 0.01 -0.01 -0.04 0.89 0.84 1iehA8 ILE 124 H 0.00 0.16 0.11 -0.55 8.25 7.98 1iehA8 ILE 124 HA 0.00 -0.17 0.39 -0.75 4.18 3.65 1iehA8 ILE 124 HB 0.01 0.03 0.20 -0.04 1.89 2.09 1iehA8 ILE 124 HG12 0.01 0.07 0.07 -0.04 1.49 1.60 1iehA8 ILE 124 HG13 0.00 -0.09 0.08 -0.04 1.21 1.16 1iehA8 ILE 124 HG23 0.01 -0.01 -0.07 -0.04 0.93 0.82 1iehA8 ILE 124 HD13 0.00 -0.00 0.09 -0.04 0.88 0.93 1iehA8 SER 125 H -0.00 -0.33 0.29 -0.55 8.46 7.88 1iehA8 SER 125 HA 0.01 0.15 0.32 -0.75 4.49 4.21 1iehA8 SER 125 HB2 -0.00 0.03 -0.53 -0.04 3.95 3.40 1iehA8 SER 125 HB3 -0.01 -0.03 -0.02 -0.04 3.93 3.83 1iehA8 GLU 126 H -0.00 -0.33 0.09 -0.55 8.60 7.81 1iehA8 GLU 126 HA -0.03 0.28 0.72 -0.75 4.29 4.52 1iehA8 GLU 126 HB2 -0.03 -0.01 -0.07 -0.04 2.09 1.94 1iehA8 GLU 126 HB3 -0.03 -0.01 0.04 -0.04 1.99 1.96 1iehA8 GLU 126 HG2 -0.14 0.03 0.07 -0.04 2.34 2.26 1iehA8 GLU 126 HG3 -0.07 0.09 -0.06 -0.04 2.34 2.26 1iehA8 GLU 127 H -0.00 0.13 0.14 -0.55 8.60 8.32 1iehA8 GLU 127 HA 0.02 0.15 0.48 -0.75 4.29 4.18 1iehA8 GLU 127 HB2 0.00 0.08 0.01 -0.04 2.09 2.15 1iehA8 GLU 127 HB3 0.00 0.07 0.12 -0.04 1.99 2.14 1iehA8 GLU 127 HG2 -0.00 -0.35 0.18 -0.04 2.34 2.13 1iehA8 GLU 127 HG3 0.00 0.10 0.03 -0.04 2.34 2.43 1iehA8 ASP 128 H 0.00 -0.04 -0.08 -0.55 8.40 7.73 1iehA8 ASP 128 HA 0.00 0.24 0.68 -0.75 4.63 4.80 1iehA8 ASP 128 HB2 0.01 -0.09 0.11 -0.04 2.71 2.69 1iehA8 ASP 128 HB3 0.01 0.05 0.20 -0.04 2.70 2.93 1iehA8 LEU 129 H -0.01 0.18 -0.64 -0.55 8.37 7.36 1iehA8 LEU 129 HA 0.01 0.17 0.59 -0.75 4.35 4.37 1iehA8 LEU 129 HB2 0.01 -0.09 -0.50 -0.04 1.64 1.02 1iehA8 LEU 129 HB3 0.01 0.03 -0.42 -0.04 1.64 1.23 1iehA8 LEU 129 HG 0.03 0.12 -0.19 -0.04 1.64 1.56 1iehA8 LEU 129 HD13 0.04 0.01 -0.03 -0.04 0.93 0.91 1iehA8 LEU 129 HD23 0.02 0.01 -0.19 -0.04 0.89 0.70 1iehA8 ASN 130 H -0.02 0.09 0.01 -0.55 8.53 8.06 1iehA8 ASN 130 HA -0.09 -0.03 0.43 -0.75 4.76 4.30 1iehA8 ASN 130 HB2 -0.57 0.08 -0.43 -0.04 2.88 1.93 1iehA8 ASN 130 HB3 -0.52 -0.03 0.09 -0.04 2.79 2.28 1iehA8 ASN 130 HD21 -0.14 -0.08 0.02 -0.04 7.03 6.79 1iehA8 ASN 130 HD22 -0.05 0.01 0.03 -0.04 7.74 7.69 1iehA8 HIS 131 H -0.13 0.10 0.05 -0.55 8.41 7.88 1iehA8 HIS 131 HA 0.00 0.30 0.80 -0.75 4.63 4.98 1iehA8 HIS 131 HB2 -0.00 0.05 0.18 -0.04 3.26 3.45 1iehA8 HIS 131 HB3 -0.02 0.01 -0.02 -0.04 3.20 3.13 1iehA8 HIS 131 HD2 -0.02 0.03 0.05 -0.04 6.97 6.98 1iehA8 HIS 131 HE1 -0.07 -0.02 -0.01 -0.04 7.75 7.61 1iehA8 HIS 132 H -0.01 0.10 -0.47 -0.55 8.41 7.49 1iehA8 HIS 132 HA -0.13 0.10 0.38 -0.75 4.63 4.23 1iehA8 HIS 132 HB2 -0.06 0.02 0.02 -0.04 3.26 3.20 1iehA8 HIS 132 HB3 0.04 -0.06 0.06 -0.04 3.20 3.20 1iehA8 HIS 132 HD2 -0.05 0.02 0.02 -0.04 6.97 6.92 1iehA8 HIS 132 HE1 -0.13 0.02 0.03 -0.04 7.75 7.62 1iehA8 HIS 133 H 0.26 0.07 0.12 -0.55 8.41 8.32 1iehA8 HIS 133 HA 0.02 0.17 0.52 -0.75 4.63 4.59 1iehA8 HIS 133 HB2 -0.03 -0.05 0.16 -0.04 3.26 3.30 1iehA8 HIS 133 HB3 -0.05 0.03 -0.03 -0.04 3.20 3.10 1iehA8 HIS 133 HD2 0.05 0.07 -0.08 -0.04 6.97 6.96 1iehA8 HIS 133 HE1 0.00 -0.01 0.01 -0.04 7.75 7.71 1iehA8 HIS 134 H 0.17 0.05 -0.06 -0.55 8.41 8.02 1iehA8 HIS 134 HA 0.07 0.20 0.79 -0.75 4.63 4.94 1iehA8 HIS 134 HB2 0.03 -0.07 -0.06 -0.04 3.26 3.12 1iehA8 HIS 134 HB3 0.02 -0.00 -0.04 -0.04 3.20 3.13 1iehA8 HIS 134 HD2 0.01 -0.03 -0.05 -0.04 6.97 6.85 1iehA8 HIS 134 HE1 -0.00 -0.00 0.02 -0.04 7.75 7.72 1iehA8 HIS 135 H 0.28 0.26 -0.04 -0.55 8.41 8.37 1iehA8 HIS 135 HA 0.06 0.10 0.27 -0.75 4.63 4.30 1iehA8 HIS 135 HB2 0.10 0.00 -0.36 -0.04 3.26 2.96 1iehA8 HIS 135 HB3 0.08 0.13 -0.07 -0.04 3.20 3.30 1iehA8 HIS 135 HD2 0.05 -0.03 0.05 -0.04 6.97 6.99 1iehA8 HIS 135 HE1 0.03 -0.03 -0.00 -0.04 7.75 7.70