============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 6 1.000 11.427 -12.592 2.884 -99.200 -91.000 TRP 10 1.040 11.961 -23.884 11.213 -99.200 -91.000 TRP6 10 1.020 12.102 -25.746 9.772 -99.200 -91.000 TYR 30 0.840 -0.177 -37.754 9.381 -99.200 -91.000 TRP 35 1.040 6.726 -35.416 9.532 -99.200 -91.000 TRP6 35 1.020 4.503 -34.923 8.903 -99.200 -91.000 HIS 40 0.900 6.055 -32.029 4.707 -99.200 -91.000 PHE 41 1.000 12.020 -34.430 8.864 -99.200 -91.000 TRP 57 1.040 13.726 -27.428 16.868 -99.200 -91.000 TRP6 57 1.020 12.699 -25.637 18.009 -99.200 -91.000 TYR 58 0.840 8.669 -32.978 13.730 -99.200 -91.000 TYR 60 0.840 0.782 -24.692 13.321 -99.200 -91.000 PHE 66 1.000 0.020 -35.265 5.185 -99.200 -91.000 HIS 73 0.900 -13.676 -35.714 5.761 -99.200 -91.000 HIS 74 0.900 -13.962 -32.824 -4.286 -99.200 -91.000 HIS 75 0.900 -11.667 -39.943 -5.069 -99.200 -91.000 HIS 76 0.900 -16.056 -40.086 1.084 -99.200 -91.000 HIS 77 0.900 -8.865 -46.438 -2.733 -99.200 -91.000 HIS 78 0.900 -9.811 -46.940 3.948 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kvvA20 MET 1 HA -0.00 -0.08 0.18 -0.75 4.52 3.86 2kvvA20 MET 1 HB2 -0.00 -0.01 0.11 -0.04 2.15 2.21 2kvvA20 MET 1 HB3 -0.00 -0.02 -0.05 -0.04 2.03 1.92 2kvvA20 MET 1 HG2 -0.00 -0.00 0.01 -0.04 2.63 2.60 2kvvA20 MET 1 HG3 -0.00 0.00 0.03 -0.04 2.56 2.55 2kvvA20 MET 1 HE3 0.00 0.00 0.00 -0.04 2.10 2.06 2kvvA20 ALA 2 H -0.01 0.13 0.02 -0.55 8.40 8.00 2kvvA20 ALA 2 HA -0.02 0.19 0.89 -0.75 4.34 4.64 2kvvA20 ALA 2 HB3 -0.01 0.00 0.09 -0.04 1.41 1.44 2kvvA20 GLN 3 H -0.03 0.33 0.06 -0.55 8.47 8.29 2kvvA20 GLN 3 HA -0.04 0.16 0.80 -0.75 4.36 4.53 2kvvA20 GLN 3 HB2 -0.02 0.00 -0.11 -0.04 2.15 1.98 2kvvA20 GLN 3 HB3 -0.02 0.01 -0.05 -0.04 2.02 1.92 2kvvA20 GLN 3 HG2 -0.00 0.09 -0.16 -0.04 2.40 2.28 2kvvA20 GLN 3 HG3 -0.01 -0.08 -0.49 -0.04 2.39 1.77 2kvvA20 GLN 3 HE21 0.00 0.01 -0.13 -0.04 6.97 6.81 2kvvA20 GLN 3 HE22 0.01 -0.00 -0.07 -0.04 7.69 7.59 2kvvA20 ILE 4 H -0.11 0.17 0.07 -0.55 8.25 7.83 2kvvA20 ILE 4 HA -0.15 0.14 0.77 -0.75 4.18 4.18 2kvvA20 ILE 4 HB -0.34 -0.01 0.16 -0.04 1.89 1.66 2kvvA20 ILE 4 HG12 -0.10 -0.03 -0.04 -0.04 1.49 1.28 2kvvA20 ILE 4 HG13 -0.12 0.02 -0.00 -0.04 1.21 1.07 2kvvA20 ILE 4 HG23 -0.34 0.00 -0.16 -0.04 0.93 0.39 2kvvA20 ILE 4 HD13 -0.09 0.03 -0.09 -0.04 0.88 0.69 2kvvA20 ILE 5 H -0.12 0.24 0.11 -0.55 8.25 7.92 2kvvA20 ILE 5 HA -0.07 0.06 0.55 -0.75 4.18 3.97 2kvvA20 ILE 5 HB -0.04 -0.01 0.13 -0.04 1.89 1.93 2kvvA20 ILE 5 HG12 -0.01 0.01 -0.01 -0.04 1.49 1.45 2kvvA20 ILE 5 HG13 -0.01 0.00 -0.07 -0.04 1.21 1.09 2kvvA20 ILE 5 HG23 0.03 -0.00 -0.22 -0.04 0.93 0.70 2kvvA20 ILE 5 HD13 -0.04 -0.00 -0.03 -0.04 0.88 0.77 2kvvA20 PHE 6 H 0.12 0.16 0.14 -0.55 8.34 8.21 2kvvA20 PHE 6 HA -0.00 0.05 0.39 -0.75 4.62 4.30 2kvvA20 PHE 6 HB2 0.01 -0.03 0.20 -0.04 3.15 3.28 2kvvA20 PHE 6 HB3 0.00 0.03 0.05 -0.04 3.06 3.10 2kvvA20 PHE 6 HD2 -0.00 -0.02 0.07 -0.04 7.28 7.28 2kvvA20 PHE 6 HE2 -0.00 -0.02 0.03 -0.04 7.38 7.35 2kvvA20 PHE 6 HZ -0.00 -0.02 0.03 -0.04 7.32 7.28 2kvvA20 ASN 7 H 0.03 0.23 0.32 -0.55 8.53 8.56 2kvvA20 ASN 7 HA 0.07 0.08 0.56 -0.75 4.76 4.72 2kvvA20 ASN 7 HB2 0.01 0.08 0.05 -0.04 2.88 2.98 2kvvA20 ASN 7 HB3 0.01 -0.02 0.08 -0.04 2.79 2.82 2kvvA20 ASN 7 HD21 0.01 0.01 -0.06 -0.04 7.03 6.95 2kvvA20 ASN 7 HD22 0.02 -0.00 -0.09 -0.04 7.74 7.62 2kvvA20 GLU 8 H 0.08 0.20 0.12 -0.55 8.60 8.44 2kvvA20 GLU 8 HA -0.09 0.15 0.85 -0.75 4.29 4.45 2kvvA20 GLU 8 HB2 0.16 -0.01 -0.03 -0.04 2.09 2.17 2kvvA20 GLU 8 HB3 0.14 0.10 -0.10 -0.04 1.99 2.09 2kvvA20 GLU 8 HG2 0.17 0.01 0.11 -0.04 2.34 2.59 2kvvA20 GLU 8 HG3 0.39 -0.05 0.14 -0.04 2.34 2.77 2kvvA20 GLU 9 H -0.21 0.19 0.03 -0.55 8.60 8.07 2kvvA20 GLU 9 HA 0.05 0.17 0.55 -0.75 4.29 4.31 2kvvA20 GLU 9 HB2 -0.01 -0.07 0.25 -0.04 2.09 2.22 2kvvA20 GLU 9 HB3 0.05 0.05 0.10 -0.04 1.99 2.15 2kvvA20 GLU 9 HG2 0.02 0.05 -0.07 -0.04 2.34 2.30 2kvvA20 GLU 9 HG3 -0.02 -0.03 -0.09 -0.04 2.34 2.16 2kvvA20 TRP 10 H 0.31 0.36 0.18 -0.55 7.97 8.27 2kvvA20 TRP 10 HA 0.27 0.34 0.75 -0.75 4.62 5.22 2kvvA20 TRP 10 HB2 0.24 0.01 0.01 -0.04 3.23 3.44 2kvvA20 TRP 10 HB3 0.49 -0.08 -0.11 -0.04 3.23 3.49 2kvvA20 TRP 10 HD1 -0.00 0.14 -0.06 -0.04 7.22 7.25 2kvvA20 TRP 10 HE1 -0.02 0.02 -0.10 -0.04 10.20 10.07 2kvvA20 TRP 10 HE3 0.21 -0.02 -0.69 -0.04 7.59 7.05 2kvvA20 TRP 10 HZ2 -0.03 0.04 -0.10 -0.04 7.44 7.31 2kvvA20 TRP 10 HZ3 0.06 -0.15 -0.30 -0.04 7.13 6.69 2kvvA20 TRP 10 HH2 -0.04 0.09 -0.26 -0.04 7.19 6.93 2kvvA20 MET 11 H 0.58 0.50 0.32 -0.55 8.47 9.32 2kvvA20 MET 11 HA 0.13 0.07 0.48 -0.75 4.52 4.45 2kvvA20 MET 11 HB2 0.05 -0.08 0.05 -0.04 2.15 2.13 2kvvA20 MET 11 HB3 0.17 0.17 -0.05 -0.04 2.03 2.28 2kvvA20 MET 11 HG2 0.27 0.06 -0.11 -0.04 2.63 2.81 2kvvA20 MET 11 HG3 0.21 -0.03 -0.11 -0.04 2.56 2.59 2kvvA20 MET 11 HE3 -0.11 0.01 -0.11 -0.04 2.10 1.85 2kvvA20 VAL 12 H -0.49 0.14 0.15 -0.55 8.24 7.49 2kvvA20 VAL 12 HA -0.30 0.31 0.58 -0.75 4.13 3.96 2kvvA20 VAL 12 HB -0.25 -0.06 0.17 -0.04 2.12 1.94 2kvvA20 VAL 12 HG13 -1.10 0.05 0.01 -0.04 0.97 -0.11 2kvvA20 VAL 12 HG23 -0.21 -0.07 -0.01 -0.04 0.95 0.62 2kvvA20 GLU 13 H 0.08 0.24 0.22 -0.55 8.60 8.59 2kvvA20 GLU 13 HA -0.01 0.12 0.32 -0.75 4.29 3.97 2kvvA20 GLU 13 HB2 0.26 0.10 0.16 -0.04 2.09 2.57 2kvvA20 GLU 13 HB3 0.04 -0.05 0.18 -0.04 1.99 2.12 2kvvA20 GLU 13 HG2 -0.04 -0.02 -0.22 -0.04 2.34 2.02 2kvvA20 GLU 13 HG3 -0.11 0.02 0.00 -0.04 2.34 2.22 2kvvA20 LYS 14 H -0.02 0.12 -0.01 -0.55 8.42 7.95 2kvvA20 LYS 14 HA -0.02 0.09 0.35 -0.75 4.32 3.97 2kvvA20 LYS 14 HB2 -0.03 0.00 0.11 -0.04 1.87 1.92 2kvvA20 LYS 14 HB3 -0.04 0.00 0.02 -0.04 1.79 1.74 2kvvA20 LYS 14 HG2 -0.02 -0.00 0.07 -0.04 1.46 1.47 2kvvA20 LYS 14 HG3 -0.02 0.04 0.02 -0.04 1.46 1.45 2kvvA20 LYS 14 HD2 -0.02 0.00 -0.29 -0.04 1.69 1.34 2kvvA20 LYS 14 HD3 -0.01 0.04 -0.03 -0.04 1.68 1.63 2kvvA20 LYS 14 HE2 -0.02 0.02 -0.03 -0.04 2.99 2.92 2kvvA20 LYS 14 HE3 -0.03 -0.06 -0.11 -0.04 2.99 2.74 2kvvA20 ALA 15 H -0.04 0.01 -0.44 -0.55 8.40 7.38 2kvvA20 ALA 15 HA -0.01 0.13 0.51 -0.75 4.34 4.22 2kvvA20 ALA 15 HB3 -0.04 0.02 0.05 -0.04 1.41 1.40 2kvvA20 LEU 16 H 0.02 0.55 -0.13 -0.55 8.37 8.27 2kvvA20 LEU 16 HA 0.14 0.04 0.28 -0.75 4.35 4.05 2kvvA20 LEU 16 HB2 0.12 0.13 -0.05 -0.04 1.64 1.80 2kvvA20 LEU 16 HB3 -0.02 0.02 0.11 -0.04 1.64 1.72 2kvvA20 LEU 16 HG 0.06 -0.01 -0.11 -0.04 1.64 1.54 2kvvA20 LEU 16 HD13 0.10 -0.02 -0.30 -0.04 0.93 0.67 2kvvA20 LEU 16 HD23 0.26 0.00 -0.08 -0.04 0.89 1.03 2kvvA20 MET 17 H 0.00 0.55 -0.09 -0.55 8.47 8.38 2kvvA20 MET 17 HA 0.02 -0.07 0.28 -0.75 4.52 4.00 2kvvA20 MET 17 HB2 -0.02 0.32 -0.04 -0.04 2.15 2.37 2kvvA20 MET 17 HB3 -0.04 -0.09 -0.07 -0.04 2.03 1.79 2kvvA20 MET 17 HG2 -0.01 0.09 0.08 -0.04 2.63 2.75 2kvvA20 MET 17 HG3 -0.01 0.08 -0.04 -0.04 2.56 2.55 2kvvA20 MET 17 HE3 -0.05 -0.03 -0.17 -0.04 2.10 1.81 2kvvA20 VAL 18 H 0.02 0.23 -0.44 -0.55 8.24 7.51 2kvvA20 VAL 18 HA 0.02 0.07 0.42 -0.75 4.13 3.88 2kvvA20 VAL 18 HB 0.01 0.09 0.15 -0.04 2.12 2.34 2kvvA20 VAL 18 HG13 0.01 -0.01 -0.06 -0.04 0.97 0.87 2kvvA20 VAL 18 HG23 0.00 0.03 0.08 -0.04 0.95 1.01 2kvvA20 ARG 19 H 0.06 0.48 -0.06 -0.55 8.46 8.39 2kvvA20 ARG 19 HA 0.05 0.08 0.46 -0.75 4.34 4.17 2kvvA20 ARG 19 HB2 0.08 0.02 0.05 -0.04 1.90 2.00 2kvvA20 ARG 19 HB3 -0.07 -0.04 0.10 -0.04 1.80 1.75 2kvvA20 ARG 19 HG2 -0.03 -0.02 -0.00 -0.04 1.67 1.58 2kvvA20 ARG 19 HG3 0.00 0.19 0.08 -0.04 1.67 1.91 2kvvA20 ARG 19 HD2 -0.06 -0.04 -0.10 -0.04 3.22 2.98 2kvvA20 ARG 19 HD3 -0.16 -0.01 -0.02 -0.04 3.22 3.00 2kvvA20 THR 20 H 0.12 0.26 -0.35 -0.55 8.28 7.76 2kvvA20 THR 20 HA 0.17 0.18 0.87 -0.75 4.39 4.85 2kvvA20 THR 20 HB 0.10 -0.03 -0.01 -0.04 4.32 4.35 2kvvA20 THR 20 HG23 0.16 0.01 -0.10 -0.04 1.22 1.25 2kvvA20 GLY 21 H 0.07 0.37 -0.01 -0.55 8.43 8.32 2kvvA20 GLY 21 HA2 0.03 0.03 0.35 -0.51 4.01 3.92 2kvvA20 GLY 21 HA3 0.04 0.12 0.73 -0.51 4.01 4.40 2kvvA20 LEU 22 H 0.05 0.04 -0.04 -0.55 8.37 7.87 2kvvA20 LEU 22 HA 0.00 0.12 0.60 -0.75 4.35 4.32 2kvvA20 LEU 22 HB2 0.04 -0.03 -0.00 -0.04 1.64 1.60 2kvvA20 LEU 22 HB3 -0.05 -0.06 -0.01 -0.04 1.64 1.48 2kvvA20 LEU 22 HG 0.06 0.01 -0.05 -0.04 1.64 1.62 2kvvA20 LEU 22 HD13 0.11 0.01 -0.26 -0.04 0.93 0.75 2kvvA20 LEU 22 HD23 0.25 -0.00 -0.12 -0.04 0.89 0.97 2kvvA20 GLY 23 H -0.07 0.12 0.17 -0.55 8.43 8.10 2kvvA20 GLY 23 HA2 -0.05 0.29 0.90 -0.51 4.01 4.64 2kvvA20 GLY 23 HA3 -0.06 0.05 0.34 -0.51 4.01 3.84 2kvvA20 ALA 24 H -0.06 0.26 0.14 -0.55 8.40 8.20 2kvvA20 ALA 24 HA -0.10 0.07 0.36 -0.75 4.34 3.91 2kvvA20 ALA 24 HB3 -0.06 0.04 0.10 -0.04 1.41 1.45 2kvvA20 ARG 25 H -0.09 0.11 -0.19 -0.55 8.46 7.74 2kvvA20 ARG 25 HA -0.11 0.11 0.38 -0.75 4.34 3.97 2kvvA20 ARG 25 HB2 -0.08 0.08 0.03 -0.04 1.90 1.89 2kvvA20 ARG 25 HB3 -0.07 0.02 0.07 -0.04 1.80 1.78 2kvvA20 ARG 25 HG2 -0.08 -0.14 -0.01 -0.04 1.67 1.41 2kvvA20 ARG 25 HG3 -0.10 0.07 -0.19 -0.04 1.67 1.41 2kvvA20 ARG 25 HD2 -0.05 0.04 -0.03 -0.04 3.22 3.14 2kvvA20 ARG 25 HD3 -0.05 0.05 -0.04 -0.04 3.22 3.13 2kvvA20 GLN 26 H -0.17 0.17 -0.40 -0.55 8.47 7.52 2kvvA20 GLN 26 HA -0.34 0.14 0.44 -0.75 4.36 3.86 2kvvA20 GLN 26 HB2 -0.18 -0.04 0.10 -0.04 2.15 2.00 2kvvA20 GLN 26 HB3 -0.24 0.02 0.14 -0.04 2.02 1.89 2kvvA20 GLN 26 HG2 -0.77 0.02 -0.09 -0.04 2.40 1.52 2kvvA20 GLN 26 HG3 -0.31 0.04 0.03 -0.04 2.39 2.11 2kvvA20 GLN 26 HE21 0.22 0.01 -0.05 -0.04 6.97 7.11 2kvvA20 GLN 26 HE22 0.10 0.08 -0.05 -0.04 7.69 7.78 2kvvA20 ILE 27 H -0.28 0.45 -0.06 -0.55 8.25 7.81 2kvvA20 ILE 27 HA -0.55 0.08 0.41 -0.75 4.18 3.37 2kvvA20 ILE 27 HB -0.23 0.05 0.11 -0.04 1.89 1.78 2kvvA20 ILE 27 HG12 -0.14 0.02 -0.08 -0.04 1.49 1.24 2kvvA20 ILE 27 HG13 -0.17 0.17 -0.10 -0.04 1.21 1.06 2kvvA20 ILE 27 HG23 -0.37 -0.01 -0.12 -0.04 0.93 0.40 2kvvA20 ILE 27 HD13 -0.13 -0.02 -0.12 -0.04 0.88 0.57 2kvvA20 GLU 28 H -0.25 0.48 -0.08 -0.55 8.60 8.20 2kvvA20 GLU 28 HA -0.23 0.03 0.39 -0.75 4.29 3.72 2kvvA20 GLU 28 HB2 -0.12 0.02 0.01 -0.04 2.09 1.96 2kvvA20 GLU 28 HB3 -0.13 -0.02 0.09 -0.04 1.99 1.89 2kvvA20 GLU 28 HG2 -0.16 0.06 0.16 -0.04 2.34 2.36 2kvvA20 GLU 28 HG3 -0.13 0.10 -0.07 -0.04 2.34 2.19 2kvvA20 SER 29 H -0.28 0.26 -0.46 -0.55 8.46 7.44 2kvvA20 SER 29 HA -0.11 0.04 0.41 -0.75 4.49 4.07 2kvvA20 SER 29 HB2 -0.17 0.09 0.15 -0.04 3.95 3.99 2kvvA20 SER 29 HB3 -0.35 0.14 0.14 -0.04 3.93 3.82 2kvvA20 TYR 30 H -0.47 0.39 -0.28 -0.55 8.29 7.38 2kvvA20 TYR 30 HA -0.22 0.10 0.56 -0.75 4.56 4.25 2kvvA20 TYR 30 HB2 -1.26 0.13 0.16 -0.04 3.06 2.05 2kvvA20 TYR 30 HB3 -1.12 -0.09 0.00 -0.04 2.98 1.73 2kvvA20 TYR 30 HD2 -0.27 -0.04 -0.09 -0.04 7.15 6.71 2kvvA20 TYR 30 HE2 0.14 -0.01 -0.08 -0.04 6.85 6.86 2kvvA20 ARG 31 H -0.44 0.50 -0.12 -0.55 8.46 7.84 2kvvA20 ARG 31 HA -0.12 -0.10 0.41 -0.75 4.34 3.78 2kvvA20 ARG 31 HB2 -0.21 0.11 0.11 -0.04 1.90 1.87 2kvvA20 ARG 31 HB3 -0.09 -0.02 0.09 -0.04 1.80 1.74 2kvvA20 ARG 31 HG2 -0.59 -0.08 -0.02 -0.04 1.67 0.95 2kvvA20 ARG 31 HG3 -0.68 0.24 -0.03 -0.04 1.67 1.15 2kvvA20 ARG 31 HD2 -0.07 0.00 -0.04 -0.04 3.22 3.07 2kvvA20 ARG 31 HD3 -0.04 -0.06 -0.09 -0.04 3.22 2.99 2kvvA20 GLN 32 H -0.09 0.24 -0.78 -0.55 8.47 7.29 2kvvA20 GLN 32 HA -0.01 0.02 0.48 -0.75 4.36 4.10 2kvvA20 GLN 32 HB2 -0.00 0.15 0.05 -0.04 2.15 2.31 2kvvA20 GLN 32 HB3 0.00 -0.05 0.04 -0.04 2.02 1.97 2kvvA20 GLN 32 HG2 -0.03 -0.07 0.03 -0.04 2.40 2.29 2kvvA20 GLN 32 HG3 -0.06 0.14 0.13 -0.04 2.39 2.55 2kvvA20 GLN 32 HE21 -0.03 0.26 0.21 -0.04 6.97 7.37 2kvvA20 GLN 32 HE22 -0.01 -0.08 0.04 -0.04 7.69 7.60 2kvvA20 GLY 33 H 0.02 0.27 -0.20 -0.55 8.43 7.97 2kvvA20 GLY 33 HA2 0.07 0.07 0.24 -0.51 4.01 3.88 2kvvA20 GLY 33 HA3 0.05 0.05 0.43 -0.51 4.01 4.03 2kvvA20 ALA 34 H 0.07 0.27 0.29 -0.55 8.40 8.47 2kvvA20 ALA 34 HA 0.00 0.21 0.88 -0.75 4.34 4.67 2kvvA20 ALA 34 HB3 -0.21 -0.01 0.06 -0.04 1.41 1.22 2kvvA20 TRP 35 H 0.31 0.04 0.10 -0.55 7.97 7.87 2kvvA20 TRP 35 HA -0.19 0.06 0.55 -0.75 4.62 4.29 2kvvA20 TRP 35 HB2 0.05 -0.00 0.07 -0.04 3.23 3.31 2kvvA20 TRP 35 HB3 0.37 -0.01 -0.13 -0.04 3.23 3.42 2kvvA20 TRP 35 HD1 0.01 -0.02 -0.13 -0.04 7.22 7.03 2kvvA20 TRP 35 HE1 -0.17 -0.04 -0.09 -0.04 10.20 9.86 2kvvA20 TRP 35 HE3 -0.50 -0.11 -0.66 -0.04 7.59 6.28 2kvvA20 TRP 35 HZ2 -0.02 -0.04 -0.06 -0.04 7.44 7.28 2kvvA20 TRP 35 HZ3 -1.23 0.06 -0.09 -0.04 7.13 5.83 2kvvA20 TRP 35 HH2 0.00 0.03 -0.04 -0.04 7.19 7.14 2kvvA20 ILE 36 H 0.07 0.14 0.18 -0.55 8.25 8.09 2kvvA20 ILE 36 HA 0.08 0.19 0.85 -0.75 4.18 4.55 2kvvA20 ILE 36 HB 0.12 -0.11 0.09 -0.04 1.89 1.94 2kvvA20 ILE 36 HG12 0.08 0.08 -0.25 -0.04 1.49 1.36 2kvvA20 ILE 36 HG13 0.06 0.07 -0.50 -0.04 1.21 0.81 2kvvA20 ILE 36 HG23 -0.02 0.07 0.01 -0.04 0.93 0.95 2kvvA20 ILE 36 HD13 0.07 0.01 -0.06 -0.04 0.88 0.85 2kvvA20 GLU 37 H -0.28 0.19 0.13 -0.55 8.60 8.08 2kvvA20 GLU 37 HA -1.12 0.22 0.56 -0.75 4.29 3.20 2kvvA20 GLU 37 HB2 -0.27 -0.02 0.13 -0.04 2.09 1.89 2kvvA20 GLU 37 HB3 -0.44 -0.00 0.06 -0.04 1.99 1.57 2kvvA20 GLU 37 HG2 -0.11 -0.00 0.10 -0.04 2.34 2.29 2kvvA20 GLU 37 HG3 -0.12 0.03 -0.10 -0.04 2.34 2.10 2kvvA20 GLY 38 H -0.16 0.55 0.35 -0.55 8.43 8.62 2kvvA20 GLY 38 HA2 0.04 0.00 0.40 -0.51 4.01 3.94 2kvvA20 GLY 38 HA3 -0.04 0.12 0.61 -0.51 4.01 4.19 2kvvA20 VAL 39 H -0.10 0.44 -0.71 -0.55 8.24 7.31 2kvvA20 VAL 39 HA -0.14 0.12 0.56 -0.75 4.13 3.91 2kvvA20 VAL 39 HB -0.04 -0.04 0.09 -0.04 2.12 2.10 2kvvA20 VAL 39 HG13 -0.37 0.00 -0.07 -0.04 0.97 0.49 2kvvA20 VAL 39 HG23 -0.05 0.04 -0.00 -0.04 0.95 0.89 2kvvA20 HIS 40 H -0.09 0.58 0.19 -0.55 8.41 8.54 2kvvA20 HIS 40 HA -0.25 0.14 0.76 -0.75 4.63 4.52 2kvvA20 HIS 40 HB2 -0.28 -0.12 0.21 -0.04 3.26 3.04 2kvvA20 HIS 40 HB3 -0.90 -0.04 0.05 -0.04 3.20 2.28 2kvvA20 HIS 40 HD2 -0.71 -0.06 -0.18 -0.04 6.97 5.97 2kvvA20 HIS 40 HE1 -0.10 0.03 -0.00 -0.04 7.75 7.64 2kvvA20 PHE 41 H -0.14 0.27 0.12 -0.55 8.34 8.03 2kvvA20 PHE 41 HA 0.50 0.19 0.58 -0.75 4.62 5.13 2kvvA20 PHE 41 HB2 -0.12 0.05 -0.04 -0.04 3.15 2.99 2kvvA20 PHE 41 HB3 0.10 0.06 -0.22 -0.04 3.06 2.96 2kvvA20 PHE 41 HD2 -0.02 -0.02 -0.36 -0.04 7.28 6.84 2kvvA20 PHE 41 HE2 0.17 0.01 -0.42 -0.04 7.38 7.09 2kvvA20 PHE 41 HZ 0.14 0.09 -0.19 -0.04 7.32 7.32 2kvvA20 LYS 42 H 0.27 0.54 0.27 -0.55 8.42 8.94 2kvvA20 LYS 42 HA -0.04 0.02 0.52 -0.75 4.32 4.07 2kvvA20 LYS 42 HB2 -0.17 0.03 0.14 -0.04 1.87 1.83 2kvvA20 LYS 42 HB3 -0.11 0.04 -0.08 -0.04 1.79 1.60 2kvvA20 LYS 42 HG2 -1.22 -0.01 -0.11 -0.04 1.46 0.08 2kvvA20 LYS 42 HG3 -0.49 0.02 -0.31 -0.04 1.46 0.63 2kvvA20 LYS 42 HD2 -0.61 0.03 -0.08 -0.04 1.69 0.99 2kvvA20 LYS 42 HD3 -1.10 -0.01 -0.09 -0.04 1.68 0.43 2kvvA20 LYS 42 HE2 -0.33 0.08 -0.05 -0.04 2.99 2.65 2kvvA20 LYS 42 HE3 -0.22 -0.03 0.01 -0.04 2.99 2.71 2kvvA20 ARG 43 H -0.02 0.14 0.14 -0.55 8.46 8.16 2kvvA20 ARG 43 HA 0.05 0.10 0.62 -0.75 4.34 4.37 2kvvA20 ARG 43 HB2 0.02 0.05 -0.05 -0.04 1.90 1.88 2kvvA20 ARG 43 HB3 0.06 0.01 0.02 -0.04 1.80 1.84 2kvvA20 ARG 43 HG2 -0.01 -0.05 0.11 -0.04 1.67 1.68 2kvvA20 ARG 43 HG3 -0.03 0.00 -0.05 -0.04 1.67 1.54 2kvvA20 ARG 43 HD2 0.01 0.02 -0.07 -0.04 3.22 3.13 2kvvA20 ARG 43 HD3 0.02 0.02 -0.02 -0.04 3.22 3.20 2kvvA20 VAL 44 H 0.03 0.26 0.14 -0.55 8.24 8.12 2kvvA20 VAL 44 HA -0.14 0.15 0.89 -0.75 4.13 4.28 2kvvA20 VAL 44 HB 0.07 0.09 0.18 -0.04 2.12 2.42 2kvvA20 VAL 44 HG13 -0.15 -0.01 -0.18 -0.04 0.97 0.60 2kvvA20 VAL 44 HG23 -0.35 0.00 -0.09 -0.04 0.95 0.48 2kvvA20 SER 45 H -0.08 0.19 0.11 -0.55 8.46 8.13 2kvvA20 SER 45 HA -0.02 0.19 0.61 -0.75 4.49 4.51 2kvvA20 SER 45 HB2 -0.04 0.07 0.03 -0.04 3.95 3.97 2kvvA20 SER 45 HB3 -0.05 0.02 0.16 -0.04 3.93 4.01 2kvvA20 PRO 46 HA -0.01 0.08 0.44 -0.51 4.44 4.44 2kvvA20 PRO 46 HB2 0.01 0.07 0.21 -0.04 2.28 2.52 2kvvA20 PRO 46 HB3 0.02 0.03 0.09 -0.04 2.02 2.12 2kvvA20 PRO 46 HG2 0.02 0.00 0.09 -0.04 2.03 2.10 2kvvA20 PRO 46 HG3 0.03 0.04 0.08 -0.04 2.03 2.14 2kvvA20 PRO 46 HD2 -0.00 0.05 0.00 -0.04 3.68 3.70 2kvvA20 PRO 46 HD3 0.00 0.34 0.35 -0.04 3.65 4.30 2kvvA20 SER 47 H -0.03 0.37 0.23 -0.55 8.46 8.48 2kvvA20 SER 47 HA -0.02 0.01 0.29 -0.75 4.49 4.01 2kvvA20 SER 47 HB2 -0.01 0.19 -0.02 -0.04 3.95 4.08 2kvvA20 SER 47 HB3 -0.01 -0.01 0.21 -0.04 3.93 4.08 2kvvA20 GLY 48 H -0.02 -0.02 -0.60 -0.55 8.43 7.24 2kvvA20 GLY 48 HA2 -0.02 -0.06 0.28 -0.51 4.01 3.70 2kvvA20 GLY 48 HA3 -0.01 0.27 0.74 -0.51 4.01 4.49 2kvvA20 GLU 49 H -0.01 0.14 0.02 -0.55 8.60 8.20 2kvvA20 GLU 49 HA -0.00 0.04 0.39 -0.75 4.29 3.97 2kvvA20 GLU 49 HB2 -0.01 0.02 0.19 -0.04 2.09 2.26 2kvvA20 GLU 49 HB3 0.00 0.09 0.11 -0.04 1.99 2.15 2kvvA20 GLU 49 HG2 -0.01 0.04 0.00 -0.04 2.34 2.34 2kvvA20 GLU 49 HG3 -0.02 -0.10 0.03 -0.04 2.34 2.22 2kvvA20 LYS 50 H -0.00 0.58 0.34 -0.55 8.42 8.79 2kvvA20 LYS 50 HA 0.00 0.19 0.78 -0.75 4.32 4.54 2kvvA20 LYS 50 HB2 0.00 0.08 0.05 -0.04 1.87 1.96 2kvvA20 LYS 50 HB3 0.00 -0.03 0.16 -0.04 1.79 1.88 2kvvA20 LYS 50 HG2 -0.00 -0.05 -0.41 -0.04 1.46 0.95 2kvvA20 LYS 50 HG3 -0.00 0.02 -0.07 -0.04 1.46 1.37 2kvvA20 LYS 50 HD2 -0.00 -0.02 -0.04 -0.04 1.69 1.59 2kvvA20 LYS 50 HD3 -0.00 -0.02 0.02 -0.04 1.68 1.64 2kvvA20 LYS 50 HE2 0.00 0.01 0.11 -0.04 2.99 3.07 2kvvA20 LYS 50 HE3 -0.00 0.05 -0.04 -0.04 2.99 2.96 2kvvA20 THR 51 H 0.01 0.06 0.01 -0.55 8.28 7.81 2kvvA20 THR 51 HA 0.01 0.21 0.90 -0.75 4.39 4.75 2kvvA20 THR 51 HB 0.01 -0.10 0.05 -0.04 4.32 4.24 2kvvA20 THR 51 HG23 0.01 0.03 -0.03 -0.04 1.22 1.18 2kvvA20 LEU 52 H 0.01 0.21 0.10 -0.55 8.37 8.14 2kvvA20 LEU 52 HA 0.01 0.19 0.67 -0.75 4.35 4.47 2kvvA20 LEU 52 HB2 0.01 0.00 0.06 -0.04 1.64 1.67 2kvvA20 LEU 52 HB3 0.01 0.02 0.15 -0.04 1.64 1.78 2kvvA20 LEU 52 HG 0.01 0.02 0.00 -0.04 1.64 1.63 2kvvA20 LEU 52 HD13 0.01 0.02 -0.12 -0.04 0.93 0.80 2kvvA20 LEU 52 HD23 0.01 -0.02 -0.06 -0.04 0.89 0.78 2kvvA20 ARG 53 H 0.01 0.02 -0.42 -0.55 8.46 7.52 2kvvA20 ARG 53 HA 0.02 0.23 0.88 -0.75 4.34 4.72 2kvvA20 ARG 53 HB2 0.02 -0.02 0.16 -0.04 1.90 2.02 2kvvA20 ARG 53 HB3 0.01 0.04 0.04 -0.04 1.80 1.85 2kvvA20 ARG 53 HG2 0.01 -0.13 -0.13 -0.04 1.67 1.38 2kvvA20 ARG 53 HG3 0.01 0.03 -0.02 -0.04 1.67 1.64 2kvvA20 ARG 53 HD2 0.01 0.01 -0.04 -0.04 3.22 3.15 2kvvA20 ARG 53 HD3 0.01 0.24 -0.41 -0.04 3.22 3.02 2kvvA20 GLY 54 H 0.02 0.21 -0.12 -0.55 8.43 8.00 2kvvA20 GLY 54 HA2 0.04 0.10 0.55 -0.51 4.01 4.18 2kvvA20 GLY 54 HA3 0.03 0.02 0.26 -0.51 4.01 3.81 2kvvA20 THR 55 H 0.07 0.21 0.21 -0.55 8.28 8.23 2kvvA20 THR 55 HA 0.04 0.08 0.71 -0.75 4.39 4.47 2kvvA20 THR 55 HB 0.23 -0.00 0.17 -0.04 4.32 4.68 2kvvA20 THR 55 HG23 0.01 -0.01 -0.13 -0.04 1.22 1.06 2kvvA20 THR 56 H -0.00 0.17 0.18 -0.55 8.28 8.07 2kvvA20 THR 56 HA 0.09 0.20 0.70 -0.75 4.39 4.62 2kvvA20 THR 56 HB -0.20 -0.06 0.10 -0.04 4.32 4.11 2kvvA20 THR 56 HG23 -0.34 0.01 -0.23 -0.04 1.22 0.62 2kvvA20 TRP 57 H 0.26 0.43 0.26 -0.55 7.97 8.38 2kvvA20 TRP 57 HA 0.09 0.14 0.77 -0.75 4.62 4.87 2kvvA20 TRP 57 HB2 -0.16 0.04 0.06 -0.04 3.23 3.12 2kvvA20 TRP 57 HB3 0.27 -0.04 -0.10 -0.04 3.23 3.33 2kvvA20 TRP 57 HD1 -0.07 0.16 -0.26 -0.04 7.22 7.02 2kvvA20 TRP 57 HE1 -0.01 0.01 -0.11 -0.04 10.20 10.04 2kvvA20 TRP 57 HE3 0.26 -0.06 -0.53 -0.04 7.59 7.22 2kvvA20 TRP 57 HZ2 0.02 0.02 -0.04 -0.04 7.44 7.39 2kvvA20 TRP 57 HZ3 0.12 0.14 -0.06 -0.04 7.13 7.29 2kvvA20 TRP 57 HH2 0.05 0.03 -0.02 -0.04 7.19 7.21 2kvvA20 TYR 58 H 0.49 0.70 0.31 -0.55 8.29 9.24 2kvvA20 TYR 58 HA 0.46 0.20 0.97 -0.75 4.56 5.44 2kvvA20 TYR 58 HB2 0.23 0.00 0.05 -0.04 3.06 3.30 2kvvA20 TYR 58 HB3 0.18 0.11 0.03 -0.04 2.98 3.26 2kvvA20 TYR 58 HD2 0.19 0.14 -0.06 -0.04 7.15 7.38 2kvvA20 TYR 58 HE2 0.16 -0.08 -0.04 -0.04 6.85 6.85 2kvvA20 ASN 59 H 0.13 0.72 0.19 -0.55 8.53 9.03 2kvvA20 ASN 59 HA -0.36 0.22 0.71 -0.75 4.76 4.58 2kvvA20 ASN 59 HB2 -0.31 0.10 0.23 -0.04 2.88 2.86 2kvvA20 ASN 59 HB3 -0.37 -0.20 0.08 -0.04 2.79 2.27 2kvvA20 ASN 59 HD21 -0.40 0.57 -0.03 -0.04 7.03 7.13 2kvvA20 ASN 59 HD22 -0.72 -0.00 -0.12 -0.04 7.74 6.86 2kvvA20 TYR 60 H 0.10 0.68 0.35 -0.55 8.29 8.88 2kvvA20 TYR 60 HA 0.04 0.00 0.34 -0.75 4.56 4.19 2kvvA20 TYR 60 HB2 0.05 0.01 0.05 -0.04 3.06 3.13 2kvvA20 TYR 60 HB3 -0.01 0.04 0.16 -0.04 2.98 3.12 2kvvA20 TYR 60 HD2 0.03 -0.03 -0.09 -0.04 7.15 7.02 2kvvA20 TYR 60 HE2 0.03 0.06 -0.17 -0.04 6.85 6.73 2kvvA20 PRO 61 HA -0.14 0.09 0.39 -0.51 4.44 4.27 2kvvA20 PRO 61 HB2 -0.10 0.08 -0.02 -0.04 2.28 2.20 2kvvA20 PRO 61 HB3 -0.02 0.06 0.10 -0.04 2.02 2.12 2kvvA20 PRO 61 HG2 -0.19 0.01 0.05 -0.04 2.03 1.87 2kvvA20 PRO 61 HG3 -0.10 0.05 0.09 -0.04 2.03 2.02 2kvvA20 PRO 61 HD2 -0.08 0.10 0.09 -0.04 3.68 3.74 2kvvA20 PRO 61 HD3 0.11 0.13 0.18 -0.04 3.65 4.03 2kvvA20 GLU 62 H -0.19 0.17 -0.24 -0.55 8.60 7.79 2kvvA20 GLU 62 HA -0.17 0.07 0.44 -0.75 4.29 3.88 2kvvA20 GLU 62 HB2 -0.34 0.08 0.18 -0.04 2.09 1.97 2kvvA20 GLU 62 HB3 -0.63 -0.02 -0.01 -0.04 1.99 1.29 2kvvA20 GLU 62 HG2 -0.27 -0.12 0.07 -0.04 2.34 1.98 2kvvA20 GLU 62 HG3 -0.39 0.39 0.12 -0.04 2.34 2.42 2kvvA20 ILE 63 H -0.13 0.52 -0.09 -0.55 8.25 8.00 2kvvA20 ILE 63 HA 0.05 0.05 0.53 -0.75 4.18 4.06 2kvvA20 ILE 63 HB -0.01 0.11 0.11 -0.04 1.89 2.05 2kvvA20 ILE 63 HG12 -0.47 -0.05 0.00 -0.04 1.49 0.93 2kvvA20 ILE 63 HG13 -0.11 0.25 0.09 -0.04 1.21 1.39 2kvvA20 ILE 63 HG23 0.37 -0.02 -0.12 -0.04 0.93 1.12 2kvvA20 ILE 63 HD13 0.23 -0.03 -0.12 -0.04 0.88 0.92 2kvvA20 ASN 64 H -0.22 0.64 -0.05 -0.55 8.53 8.35 2kvvA20 ASN 64 HA -0.09 0.03 0.47 -0.75 4.76 4.41 2kvvA20 ASN 64 HB2 -0.59 0.04 0.11 -0.04 2.88 2.39 2kvvA20 ASN 64 HB3 -0.25 0.07 0.17 -0.04 2.79 2.74 2kvvA20 ASN 64 HD21 -0.16 0.03 0.05 -0.04 7.03 6.92 2kvvA20 ASN 64 HD22 -0.04 0.00 0.02 -0.04 7.74 7.68 2kvvA20 LYS 65 H -0.07 0.59 -0.16 -0.55 8.42 8.22 2kvvA20 LYS 65 HA -0.04 0.01 0.49 -0.75 4.32 4.03 2kvvA20 LYS 65 HB2 -0.05 0.03 0.14 -0.04 1.87 1.95 2kvvA20 LYS 65 HB3 -0.02 0.15 0.19 -0.04 1.79 2.07 2kvvA20 LYS 65 HG2 0.01 0.01 -0.16 -0.04 1.46 1.27 2kvvA20 LYS 65 HG3 -0.03 -0.04 0.06 -0.04 1.46 1.41 2kvvA20 LYS 65 HD2 -0.03 -0.01 -0.01 -0.04 1.69 1.60 2kvvA20 LYS 65 HD3 -0.05 -0.02 0.00 -0.04 1.68 1.58 2kvvA20 LYS 65 HE2 -0.08 0.02 0.06 -0.04 2.99 2.94 2kvvA20 LYS 65 HE3 -0.02 0.01 -0.01 -0.04 2.99 2.93 2kvvA20 PHE 66 H 0.15 0.46 -0.23 -0.55 8.34 8.17 2kvvA20 PHE 66 HA -0.02 0.02 0.48 -0.75 4.62 4.35 2kvvA20 PHE 66 HB2 0.07 0.04 0.15 -0.04 3.15 3.37 2kvvA20 PHE 66 HB3 0.05 0.14 0.17 -0.04 3.06 3.38 2kvvA20 PHE 66 HD2 -0.09 0.01 -0.06 -0.04 7.28 7.10 2kvvA20 PHE 66 HE2 -0.91 -0.00 -0.03 -0.04 7.38 6.40 2kvvA20 PHE 66 HZ -0.26 0.01 -0.02 -0.04 7.32 7.01 2kvvA20 ILE 67 H 0.10 0.54 -0.19 -0.55 8.25 8.15 2kvvA20 ILE 67 HA -0.05 -0.01 0.46 -0.75 4.18 3.83 2kvvA20 ILE 67 HB -0.00 0.20 0.22 -0.04 1.89 2.27 2kvvA20 ILE 67 HG12 0.17 -0.08 -0.00 -0.04 1.49 1.54 2kvvA20 ILE 67 HG13 0.16 0.33 0.05 -0.04 1.21 1.70 2kvvA20 ILE 67 HG23 0.01 -0.01 -0.07 -0.04 0.93 0.81 2kvvA20 ILE 67 HD13 0.06 -0.02 -0.04 -0.04 0.88 0.84 2kvvA20 ARG 68 H -0.05 0.56 -0.13 -0.55 8.46 8.29 2kvvA20 ARG 68 HA -0.08 -0.02 0.46 -0.75 4.34 3.95 2kvvA20 ARG 68 HB2 -0.06 0.18 0.20 -0.04 1.90 2.18 2kvvA20 ARG 68 HB3 -0.06 -0.06 0.05 -0.04 1.80 1.69 2kvvA20 ARG 68 HG2 -0.05 0.33 0.14 -0.04 1.67 2.05 2kvvA20 ARG 68 HG3 -0.04 -0.06 0.04 -0.04 1.67 1.57 2kvvA20 ARG 68 HD2 -0.04 -0.03 0.03 -0.04 3.22 3.14 2kvvA20 ARG 68 HD3 -0.04 -0.02 -0.00 -0.04 3.22 3.11 2kvvA20 ASP 69 H -0.13 0.54 -0.11 -0.55 8.40 8.16 2kvvA20 ASP 69 HA -0.12 -0.01 0.34 -0.75 4.63 4.09 2kvvA20 ASP 69 HB2 -0.09 0.02 0.14 -0.04 2.71 2.74 2kvvA20 ASP 69 HB3 -0.32 0.11 0.13 -0.04 2.70 2.59 2kvvA20 SER 70 H -0.32 0.35 -0.42 -0.55 8.46 7.52 2kvvA20 SER 70 HA -0.24 0.06 0.54 -0.75 4.49 4.09 2kvvA20 SER 70 HB2 -0.25 0.04 0.15 -0.04 3.95 3.84 2kvvA20 SER 70 HB3 -0.19 -0.09 0.00 -0.04 3.93 3.62 2kvvA20 LEU 71 H -0.17 0.63 0.06 -0.55 8.37 8.34 2kvvA20 LEU 71 HA -0.23 -0.00 0.28 -0.75 4.35 3.65 2kvvA20 LEU 71 HB2 -0.08 -0.01 0.11 -0.04 1.64 1.62 2kvvA20 LEU 71 HB3 -0.12 0.03 0.11 -0.04 1.64 1.61 2kvvA20 LEU 71 HG -0.15 -0.04 -0.12 -0.04 1.64 1.28 2kvvA20 LEU 71 HD13 0.00 -0.01 0.04 -0.04 0.93 0.92 2kvvA20 LEU 71 HD23 -0.01 -0.01 -0.03 -0.04 0.89 0.80 2kvvA20 GLU 72 H -0.18 0.47 -0.07 -0.55 8.60 8.28 2kvvA20 GLU 72 HA -0.16 -0.07 0.38 -0.75 4.29 3.70 2kvvA20 GLU 72 HB2 -0.10 0.12 0.13 -0.04 2.09 2.20 2kvvA20 GLU 72 HB3 -0.06 -0.07 -0.00 -0.04 1.99 1.81 2kvvA20 GLU 72 HG2 -0.10 0.12 0.15 -0.04 2.34 2.47 2kvvA20 GLU 72 HG3 -0.07 -0.06 0.00 -0.04 2.34 2.17 2kvvA20 HIS 73 H -0.17 0.13 0.26 -0.55 8.41 8.08 2kvvA20 HIS 73 HA -0.04 0.12 0.42 -0.75 4.63 4.38 2kvvA20 HIS 73 HB2 0.05 -0.05 0.25 -0.04 3.26 3.48 2kvvA20 HIS 73 HB3 0.06 -0.07 0.09 -0.04 3.20 3.23 2kvvA20 HIS 73 HD2 0.06 -0.05 0.01 -0.04 6.97 6.95 2kvvA20 HIS 73 HE1 0.03 -0.09 0.06 -0.04 7.75 7.70 2kvvA20 HIS 74 H 0.06 0.53 0.24 -0.55 8.41 8.69 2kvvA20 HIS 74 HA -0.03 0.17 0.86 -0.75 4.63 4.88 2kvvA20 HIS 74 HB2 -0.02 -0.02 -0.10 -0.04 3.26 3.08 2kvvA20 HIS 74 HB3 -0.01 0.06 0.02 -0.04 3.20 3.22 2kvvA20 HIS 74 HD2 0.00 0.01 0.04 -0.04 6.97 6.97 2kvvA20 HIS 74 HE1 0.01 -0.02 0.03 -0.04 7.75 7.72 2kvvA20 HIS 75 H -0.10 0.13 -0.05 -0.55 8.41 7.85 2kvvA20 HIS 75 HA -0.19 0.05 0.54 -0.75 4.63 4.28 2kvvA20 HIS 75 HB2 -0.05 0.13 -0.21 -0.04 3.26 3.09 2kvvA20 HIS 75 HB3 -0.02 -0.00 0.01 -0.04 3.20 3.14 2kvvA20 HIS 75 HD2 0.05 -0.06 -0.30 -0.04 6.97 6.62 2kvvA20 HIS 75 HE1 0.02 -0.03 -0.00 -0.04 7.75 7.70 2kvvA20 HIS 76 H -0.35 0.18 0.09 -0.55 8.41 7.80 2kvvA20 HIS 76 HA 0.04 0.14 0.83 -0.75 4.63 4.88 2kvvA20 HIS 76 HB2 -0.08 0.06 0.10 -0.04 3.26 3.30 2kvvA20 HIS 76 HB3 -0.00 -0.13 0.05 -0.04 3.20 3.07 2kvvA20 HIS 76 HD2 0.03 0.02 -0.04 -0.04 6.97 6.94 2kvvA20 HIS 76 HE1 -0.03 0.04 -0.05 -0.04 7.75 7.67 2kvvA20 HIS 77 H 0.24 0.18 0.17 -0.55 8.41 8.45 2kvvA20 HIS 77 HA 0.07 0.24 0.81 -0.75 4.63 5.00 2kvvA20 HIS 77 HB2 0.16 0.04 -0.03 -0.04 3.26 3.39 2kvvA20 HIS 77 HB3 0.18 0.00 0.03 -0.04 3.20 3.37 2kvvA20 HIS 77 HD2 0.18 -0.01 0.02 -0.04 6.97 7.11 2kvvA20 HIS 77 HE1 0.06 -0.01 0.02 -0.04 7.75 7.78 2kvvA20 HIS 78 H 0.24 -0.06 -0.02 -0.55 8.41 8.02 2kvvA20 HIS 78 HA -0.02 0.26 0.63 -0.75 4.63 4.75 2kvvA20 HIS 78 HB2 0.06 -0.02 0.06 -0.04 3.26 3.33 2kvvA20 HIS 78 HB3 0.01 0.03 0.06 -0.04 3.20 3.26 2kvvA20 HIS 78 HD2 0.18 0.02 -0.55 -0.04 6.97 6.57 2kvvA20 HIS 78 HE1 0.05 -0.01 -0.01 -0.04 7.75 7.73