============================================================================= 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 6.857 -17.677 4.356 -99.200 -91.000 TRP 10 1.040 13.064 -24.023 11.464 -99.200 -91.000 TRP6 10 1.020 13.063 -26.067 10.288 -99.200 -91.000 TYR 30 0.840 -0.517 -36.478 10.841 -99.200 -91.000 TRP 35 1.040 7.060 -35.059 10.272 -99.200 -91.000 TRP6 35 1.020 4.887 -34.133 10.257 -99.200 -91.000 HIS 40 0.900 5.941 -30.870 5.264 -99.200 -91.000 PHE 41 1.000 12.106 -35.071 8.505 -99.200 -91.000 TRP 57 1.040 14.729 -28.330 17.110 -99.200 -91.000 TRP6 57 1.020 14.340 -26.227 18.108 -99.200 -91.000 TYR 58 0.840 8.930 -33.033 14.011 -99.200 -91.000 TYR 60 0.840 2.604 -23.114 13.686 -99.200 -91.000 PHE 66 1.000 -0.576 -33.861 6.250 -99.200 -91.000 HIS 73 0.900 -11.643 -36.425 1.437 -99.200 -91.000 HIS 74 0.900 -12.502 -30.349 -1.836 -99.200 -91.000 HIS 75 0.900 -5.192 -30.914 -1.999 -99.200 -91.000 HIS 76 0.900 -8.986 -39.038 -3.795 -99.200 -91.000 HIS 77 0.900 -1.621 -41.872 1.530 -99.200 -91.000 HIS 78 0.900 1.905 -40.447 -5.120 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kvvA18 MET 1 HA 0.01 -0.03 0.20 -0.75 4.52 3.94 2kvvA18 MET 1 HB2 0.00 -0.00 0.06 -0.04 2.15 2.17 2kvvA18 MET 1 HB3 0.00 -0.10 0.09 -0.04 2.03 1.98 2kvvA18 MET 1 HG2 0.01 0.00 -0.22 -0.04 2.63 2.38 2kvvA18 MET 1 HG3 0.01 0.00 -0.01 -0.04 2.56 2.52 2kvvA18 MET 1 HE3 0.00 0.00 -0.02 -0.04 2.10 2.04 2kvvA18 ALA 2 H 0.01 0.08 0.09 -0.55 8.40 8.03 2kvvA18 ALA 2 HA 0.01 0.07 0.53 -0.75 4.34 4.19 2kvvA18 ALA 2 HB3 0.01 -0.01 0.07 -0.04 1.41 1.44 2kvvA18 GLN 3 H 0.01 0.19 0.19 -0.55 8.47 8.32 2kvvA18 GLN 3 HA 0.02 0.12 0.69 -0.75 4.36 4.44 2kvvA18 GLN 3 HB2 0.02 -0.04 -0.05 -0.04 2.15 2.04 2kvvA18 GLN 3 HB3 0.02 0.18 -0.26 -0.04 2.02 1.91 2kvvA18 GLN 3 HG2 0.02 0.02 0.00 -0.04 2.40 2.40 2kvvA18 GLN 3 HG3 0.03 -0.07 -0.09 -0.04 2.39 2.21 2kvvA18 GLN 3 HE21 0.03 -0.02 -0.01 -0.04 6.97 6.93 2kvvA18 GLN 3 HE22 0.03 0.00 -0.02 -0.04 7.69 7.66 2kvvA18 ILE 4 H 0.02 0.21 0.04 -0.55 8.25 7.98 2kvvA18 ILE 4 HA 0.03 0.18 0.89 -0.75 4.18 4.52 2kvvA18 ILE 4 HB 0.03 0.00 0.20 -0.04 1.89 2.07 2kvvA18 ILE 4 HG12 0.02 -0.05 -0.21 -0.04 1.49 1.21 2kvvA18 ILE 4 HG13 0.02 0.01 -0.02 -0.04 1.21 1.17 2kvvA18 ILE 4 HG23 0.04 -0.00 -0.04 -0.04 0.93 0.88 2kvvA18 ILE 4 HD13 0.01 0.06 -0.04 -0.04 0.88 0.86 2kvvA18 ILE 5 H 0.07 0.28 -0.12 -0.55 8.25 7.93 2kvvA18 ILE 5 HA 0.07 0.14 0.87 -0.75 4.18 4.51 2kvvA18 ILE 5 HB 0.06 0.02 0.07 -0.04 1.89 2.01 2kvvA18 ILE 5 HG12 0.04 0.08 -0.11 -0.04 1.49 1.45 2kvvA18 ILE 5 HG13 0.04 -0.15 -0.50 -0.04 1.21 0.56 2kvvA18 ILE 5 HG23 0.05 -0.00 -0.10 -0.04 0.93 0.83 2kvvA18 ILE 5 HD13 0.03 0.01 -0.06 -0.04 0.88 0.82 2kvvA18 PHE 6 H 0.13 0.23 -0.09 -0.55 8.34 8.06 2kvvA18 PHE 6 HA 0.01 0.07 0.41 -0.75 4.62 4.34 2kvvA18 PHE 6 HB2 0.00 0.12 -0.11 -0.04 3.15 3.12 2kvvA18 PHE 6 HB3 0.00 -0.01 0.09 -0.04 3.06 3.10 2kvvA18 PHE 6 HD2 -0.00 0.04 0.01 -0.04 7.28 7.28 2kvvA18 PHE 6 HE2 -0.02 0.01 -0.03 -0.04 7.38 7.29 2kvvA18 PHE 6 HZ -0.04 0.01 -0.03 -0.04 7.32 7.22 2kvvA18 ASN 7 H -0.23 0.22 0.02 -0.55 8.53 8.00 2kvvA18 ASN 7 HA -0.09 0.20 0.90 -0.75 4.76 5.02 2kvvA18 ASN 7 HB2 -0.05 -0.01 0.11 -0.04 2.88 2.90 2kvvA18 ASN 7 HB3 -0.03 0.04 -0.03 -0.04 2.79 2.73 2kvvA18 ASN 7 HD21 -0.00 -0.02 -0.10 -0.04 7.03 6.87 2kvvA18 ASN 7 HD22 0.03 0.08 -0.09 -0.04 7.74 7.72 2kvvA18 GLU 8 H -0.17 0.23 0.02 -0.55 8.60 8.12 2kvvA18 GLU 8 HA -0.33 0.07 0.62 -0.75 4.29 3.89 2kvvA18 GLU 8 HB2 -0.11 0.02 0.18 -0.04 2.09 2.14 2kvvA18 GLU 8 HB3 -0.49 0.02 0.05 -0.04 1.99 1.53 2kvvA18 GLU 8 HG2 -0.16 0.06 0.01 -0.04 2.34 2.22 2kvvA18 GLU 8 HG3 -0.44 -0.03 -0.05 -0.04 2.34 1.79 2kvvA18 GLU 9 H -0.11 0.42 0.20 -0.55 8.60 8.57 2kvvA18 GLU 9 HA 0.03 0.04 0.44 -0.75 4.29 4.04 2kvvA18 GLU 9 HB2 -0.05 -0.08 0.20 -0.04 2.09 2.12 2kvvA18 GLU 9 HB3 -0.07 0.05 -0.01 -0.04 1.99 1.92 2kvvA18 GLU 9 HG2 -0.04 0.00 -0.00 -0.04 2.34 2.26 2kvvA18 GLU 9 HG3 -0.05 0.14 0.08 -0.04 2.34 2.46 2kvvA18 TRP 10 H 0.32 0.17 0.27 -0.55 7.97 8.19 2kvvA18 TRP 10 HA 0.20 0.32 0.85 -0.75 4.62 5.24 2kvvA18 TRP 10 HB2 0.25 -0.03 0.12 -0.04 3.23 3.53 2kvvA18 TRP 10 HB3 0.51 -0.05 -0.05 -0.04 3.23 3.59 2kvvA18 TRP 10 HD1 0.02 -0.00 0.09 -0.04 7.22 7.29 2kvvA18 TRP 10 HE1 -0.01 -0.02 -0.01 -0.04 10.20 10.13 2kvvA18 TRP 10 HE3 0.24 -0.07 -0.49 -0.04 7.59 7.22 2kvvA18 TRP 10 HZ2 -0.02 0.04 -0.08 -0.04 7.44 7.34 2kvvA18 TRP 10 HZ3 0.11 -0.02 -0.28 -0.04 7.13 6.90 2kvvA18 TRP 10 HH2 -0.02 0.04 -0.27 -0.04 7.19 6.90 2kvvA18 MET 11 H 0.37 0.42 0.29 -0.55 8.47 9.00 2kvvA18 MET 11 HA -0.33 0.11 0.65 -0.75 4.52 4.20 2kvvA18 MET 11 HB2 -0.12 -0.09 0.02 -0.04 2.15 1.92 2kvvA18 MET 11 HB3 -0.01 0.13 -0.23 -0.04 2.03 1.88 2kvvA18 MET 11 HG2 0.11 0.09 -0.09 -0.04 2.63 2.69 2kvvA18 MET 11 HG3 0.07 -0.03 -0.17 -0.04 2.56 2.39 2kvvA18 MET 11 HE3 -0.19 0.03 -0.13 -0.04 2.10 1.76 2kvvA18 VAL 12 H -0.74 0.15 0.15 -0.55 8.24 7.25 2kvvA18 VAL 12 HA -0.67 0.26 0.64 -0.75 4.13 3.61 2kvvA18 VAL 12 HB -0.34 -0.04 0.18 -0.04 2.12 1.88 2kvvA18 VAL 12 HG13 -0.97 0.05 0.03 -0.04 0.97 0.04 2kvvA18 VAL 12 HG23 -0.27 -0.07 0.00 -0.04 0.95 0.57 2kvvA18 GLU 13 H -0.21 0.26 0.22 -0.55 8.60 8.32 2kvvA18 GLU 13 HA 0.34 0.12 0.32 -0.75 4.29 4.32 2kvvA18 GLU 13 HB2 0.18 0.11 0.15 -0.04 2.09 2.49 2kvvA18 GLU 13 HB3 0.04 -0.03 0.14 -0.04 1.99 2.10 2kvvA18 GLU 13 HG2 0.10 -0.02 -0.18 -0.04 2.34 2.19 2kvvA18 GLU 13 HG3 0.33 0.02 -0.01 -0.04 2.34 2.64 2kvvA18 LYS 14 H -0.05 0.10 -0.10 -0.55 8.42 7.82 2kvvA18 LYS 14 HA -0.00 0.10 0.38 -0.75 4.32 4.04 2kvvA18 LYS 14 HB2 -0.03 0.01 0.08 -0.04 1.87 1.89 2kvvA18 LYS 14 HB3 -0.06 -0.01 0.02 -0.04 1.79 1.69 2kvvA18 LYS 14 HG2 -0.02 0.01 0.06 -0.04 1.46 1.47 2kvvA18 LYS 14 HG3 -0.03 0.03 0.00 -0.04 1.46 1.43 2kvvA18 LYS 14 HD2 -0.04 0.01 -0.42 -0.04 1.69 1.20 2kvvA18 LYS 14 HD3 -0.02 0.05 -0.06 -0.04 1.68 1.60 2kvvA18 LYS 14 HE2 -0.03 0.02 -0.04 -0.04 2.99 2.90 2kvvA18 LYS 14 HE3 -0.06 -0.07 -0.09 -0.04 2.99 2.73 2kvvA18 ALA 15 H -0.09 0.05 -0.43 -0.55 8.40 7.38 2kvvA18 ALA 15 HA -0.04 0.15 0.55 -0.75 4.34 4.24 2kvvA18 ALA 15 HB3 -0.11 0.02 0.05 -0.04 1.41 1.33 2kvvA18 LEU 16 H 0.03 0.50 -0.15 -0.55 8.37 8.20 2kvvA18 LEU 16 HA 0.12 0.06 0.34 -0.75 4.35 4.11 2kvvA18 LEU 16 HB2 0.24 0.08 -0.05 -0.04 1.64 1.87 2kvvA18 LEU 16 HB3 0.24 0.05 0.08 -0.04 1.64 1.97 2kvvA18 LEU 16 HG 0.31 0.00 -0.11 -0.04 1.64 1.79 2kvvA18 LEU 16 HD13 0.19 -0.01 -0.28 -0.04 0.93 0.79 2kvvA18 LEU 16 HD23 0.20 -0.00 -0.05 -0.04 0.89 0.99 2kvvA18 MET 17 H 0.07 0.54 -0.14 -0.55 8.47 8.39 2kvvA18 MET 17 HA 0.04 -0.07 0.34 -0.75 4.52 4.07 2kvvA18 MET 17 HB2 -0.00 0.36 -0.09 -0.04 2.15 2.38 2kvvA18 MET 17 HB3 0.01 -0.09 -0.09 -0.04 2.03 1.83 2kvvA18 MET 17 HG2 0.02 0.04 0.09 -0.04 2.63 2.73 2kvvA18 MET 17 HG3 0.00 0.09 -0.11 -0.04 2.56 2.50 2kvvA18 MET 17 HE3 0.00 -0.04 -0.20 -0.04 2.10 1.82 2kvvA18 VAL 18 H 0.02 0.19 -0.51 -0.55 8.24 7.39 2kvvA18 VAL 18 HA 0.01 0.08 0.45 -0.75 4.13 3.92 2kvvA18 VAL 18 HB -0.00 0.11 0.13 -0.04 2.12 2.32 2kvvA18 VAL 18 HG13 -0.00 -0.01 -0.06 -0.04 0.97 0.86 2kvvA18 VAL 18 HG23 -0.01 0.06 0.08 -0.04 0.95 1.04 2kvvA18 ARG 19 H 0.04 0.37 -0.14 -0.55 8.46 8.19 2kvvA18 ARG 19 HA 0.04 0.05 0.46 -0.75 4.34 4.14 2kvvA18 ARG 19 HB2 0.15 0.06 0.18 -0.04 1.90 2.26 2kvvA18 ARG 19 HB3 0.26 -0.03 -0.00 -0.04 1.80 1.98 2kvvA18 ARG 19 HG2 -0.03 0.08 0.04 -0.04 1.67 1.72 2kvvA18 ARG 19 HG3 -0.10 -0.08 -0.04 -0.04 1.67 1.41 2kvvA18 ARG 19 HD2 -0.32 -0.01 0.01 -0.04 3.22 2.85 2kvvA18 ARG 19 HD3 -0.08 0.03 0.01 -0.04 3.22 3.14 2kvvA18 THR 20 H 0.10 0.45 -0.11 -0.55 8.28 8.17 2kvvA18 THR 20 HA 0.10 0.13 0.49 -0.75 4.39 4.36 2kvvA18 THR 20 HB 0.09 0.00 -0.00 -0.04 4.32 4.37 2kvvA18 THR 20 HG23 0.13 -0.00 -0.07 -0.04 1.22 1.24 2kvvA18 GLY 21 H 0.04 0.40 -0.13 -0.55 8.43 8.20 2kvvA18 GLY 21 HA2 0.02 0.04 0.33 -0.51 4.01 3.89 2kvvA18 GLY 21 HA3 0.02 0.11 0.69 -0.51 4.01 4.33 2kvvA18 LEU 22 H 0.01 -0.02 -0.13 -0.55 8.37 7.68 2kvvA18 LEU 22 HA -0.05 0.12 0.43 -0.75 4.35 4.10 2kvvA18 LEU 22 HB2 -0.04 -0.04 -0.01 -0.04 1.64 1.51 2kvvA18 LEU 22 HB3 -0.17 -0.08 0.04 -0.04 1.64 1.39 2kvvA18 LEU 22 HG -0.18 0.01 -0.05 -0.04 1.64 1.38 2kvvA18 LEU 22 HD13 0.04 0.01 -0.22 -0.04 0.93 0.73 2kvvA18 LEU 22 HD23 -0.26 -0.00 -0.12 -0.04 0.89 0.47 2kvvA18 GLY 23 H -0.11 0.10 0.16 -0.55 8.43 8.04 2kvvA18 GLY 23 HA2 -0.04 0.29 0.85 -0.51 4.01 4.60 2kvvA18 GLY 23 HA3 -0.05 0.05 0.32 -0.51 4.01 3.82 2kvvA18 ALA 24 H -0.04 0.25 0.14 -0.55 8.40 8.20 2kvvA18 ALA 24 HA -0.06 0.08 0.30 -0.75 4.34 3.91 2kvvA18 ALA 24 HB3 -0.03 0.04 0.11 -0.04 1.41 1.48 2kvvA18 ARG 25 H -0.06 0.12 -0.08 -0.55 8.46 7.89 2kvvA18 ARG 25 HA -0.07 0.11 0.34 -0.75 4.34 3.97 2kvvA18 ARG 25 HB2 -0.05 -0.01 0.03 -0.04 1.90 1.82 2kvvA18 ARG 25 HB3 -0.04 0.09 0.01 -0.04 1.80 1.82 2kvvA18 ARG 25 HG2 -0.04 0.04 0.01 -0.04 1.67 1.65 2kvvA18 ARG 25 HG3 -0.04 -0.07 0.05 -0.04 1.67 1.57 2kvvA18 ARG 25 HD2 -0.02 0.03 0.00 -0.04 3.22 3.18 2kvvA18 ARG 25 HD3 -0.03 0.01 0.00 -0.04 3.22 3.16 2kvvA18 GLN 26 H -0.11 0.02 -0.43 -0.55 8.47 7.40 2kvvA18 GLN 26 HA -0.11 0.16 0.58 -0.75 4.36 4.24 2kvvA18 GLN 26 HB2 -0.11 -0.01 0.08 -0.04 2.15 2.07 2kvvA18 GLN 26 HB3 -0.24 -0.07 0.14 -0.04 2.02 1.81 2kvvA18 GLN 26 HG2 -0.66 0.01 -0.10 -0.04 2.40 1.61 2kvvA18 GLN 26 HG3 -0.06 0.05 0.04 -0.04 2.39 2.38 2kvvA18 GLN 26 HE21 0.03 0.02 -0.05 -0.04 6.97 6.93 2kvvA18 GLN 26 HE22 0.03 0.08 -0.05 -0.04 7.69 7.71 2kvvA18 ILE 27 H -0.23 0.60 0.00 -0.55 8.25 8.06 2kvvA18 ILE 27 HA -0.63 0.06 0.37 -0.75 4.18 3.23 2kvvA18 ILE 27 HB -0.15 0.04 0.10 -0.04 1.89 1.84 2kvvA18 ILE 27 HG12 -0.19 0.00 -0.08 -0.04 1.49 1.18 2kvvA18 ILE 27 HG13 -0.17 0.19 -0.06 -0.04 1.21 1.12 2kvvA18 ILE 27 HG23 -0.20 -0.01 -0.16 -0.04 0.93 0.52 2kvvA18 ILE 27 HD13 0.02 -0.03 -0.16 -0.04 0.88 0.67 2kvvA18 GLU 28 H -0.18 0.60 -0.04 -0.55 8.60 8.43 2kvvA18 GLU 28 HA -0.22 0.00 0.31 -0.75 4.29 3.63 2kvvA18 GLU 28 HB2 -0.10 0.01 0.00 -0.04 2.09 1.97 2kvvA18 GLU 28 HB3 -0.10 -0.02 0.08 -0.04 1.99 1.91 2kvvA18 GLU 28 HG2 -0.10 0.04 0.12 -0.04 2.34 2.36 2kvvA18 GLU 28 HG3 -0.09 0.09 -0.11 -0.04 2.34 2.18 2kvvA18 SER 29 H -0.15 0.22 -0.59 -0.55 8.46 7.40 2kvvA18 SER 29 HA -0.08 0.05 0.45 -0.75 4.49 4.16 2kvvA18 SER 29 HB2 -0.02 0.03 0.12 -0.04 3.95 4.03 2kvvA18 SER 29 HB3 0.06 0.22 0.16 -0.04 3.93 4.33 2kvvA18 TYR 30 H -0.06 0.44 -0.06 -0.55 8.29 8.06 2kvvA18 TYR 30 HA -0.41 0.11 0.24 -0.75 4.56 3.75 2kvvA18 TYR 30 HB2 -1.19 0.08 0.14 -0.04 3.06 2.05 2kvvA18 TYR 30 HB3 -1.50 -0.07 -0.06 -0.04 2.98 1.32 2kvvA18 TYR 30 HD2 -0.13 -0.07 -0.02 -0.04 7.15 6.88 2kvvA18 TYR 30 HE2 0.17 -0.00 -0.05 -0.04 6.85 6.92 2kvvA18 ARG 31 H -0.71 0.61 -0.30 -0.55 8.46 7.50 2kvvA18 ARG 31 HA -1.08 -0.06 0.34 -0.75 4.34 2.78 2kvvA18 ARG 31 HB2 -0.34 0.21 0.04 -0.04 1.90 1.77 2kvvA18 ARG 31 HB3 -0.32 -0.05 0.03 -0.04 1.80 1.41 2kvvA18 ARG 31 HG2 -0.90 -0.07 -0.08 -0.04 1.67 0.58 2kvvA18 ARG 31 HG3 -0.78 0.35 -0.17 -0.04 1.67 1.03 2kvvA18 ARG 31 HD2 -0.09 -0.09 -0.18 -0.04 3.22 2.81 2kvvA18 ARG 31 HD3 -0.17 0.01 -0.08 -0.04 3.22 2.94 2kvvA18 GLN 32 H -0.24 0.36 -0.61 -0.55 8.47 7.45 2kvvA18 GLN 32 HA -0.04 0.13 0.86 -0.75 4.36 4.55 2kvvA18 GLN 32 HB2 -0.08 0.12 0.10 -0.04 2.15 2.25 2kvvA18 GLN 32 HB3 -0.04 -0.05 0.12 -0.04 2.02 2.01 2kvvA18 GLN 32 HG2 -0.05 -0.03 -0.04 -0.04 2.40 2.25 2kvvA18 GLN 32 HG3 -0.11 0.03 -0.15 -0.04 2.39 2.12 2kvvA18 GLN 32 HE21 -0.03 -0.02 -0.03 -0.04 6.97 6.85 2kvvA18 GLN 32 HE22 -0.03 -0.04 -0.03 -0.04 7.69 7.55 2kvvA18 GLY 33 H -0.16 0.18 -0.15 -0.55 8.43 7.76 2kvvA18 GLY 33 HA2 0.01 0.16 0.75 -0.51 4.01 4.42 2kvvA18 GLY 33 HA3 -0.00 -0.01 0.32 -0.51 4.01 3.80 2kvvA18 ALA 34 H -0.04 0.10 0.03 -0.55 8.40 7.95 2kvvA18 ALA 34 HA -0.16 0.05 0.37 -0.75 4.34 3.84 2kvvA18 ALA 34 HB3 -0.74 0.04 0.03 -0.04 1.41 0.70 2kvvA18 TRP 35 H 0.19 0.44 0.18 -0.55 7.97 8.24 2kvvA18 TRP 35 HA -0.11 0.01 0.45 -0.75 4.62 4.22 2kvvA18 TRP 35 HB2 -0.12 0.14 0.14 -0.04 3.23 3.35 2kvvA18 TRP 35 HB3 0.08 -0.05 -0.12 -0.04 3.23 3.10 2kvvA18 TRP 35 HD1 -0.55 -0.01 -0.10 -0.04 7.22 6.52 2kvvA18 TRP 35 HE1 -1.67 -0.06 -0.11 -0.04 10.20 8.32 2kvvA18 TRP 35 HE3 -0.35 -0.13 -0.65 -0.04 7.59 6.41 2kvvA18 TRP 35 HZ2 -0.46 -0.06 -0.10 -0.04 7.44 6.78 2kvvA18 TRP 35 HZ3 -0.31 0.07 -0.12 -0.04 7.13 6.72 2kvvA18 TRP 35 HH2 -0.01 -0.00 -0.09 -0.04 7.19 7.05 2kvvA18 ILE 36 H 0.27 0.08 0.16 -0.55 8.25 8.20 2kvvA18 ILE 36 HA 0.21 0.19 0.79 -0.75 4.18 4.62 2kvvA18 ILE 36 HB 0.16 -0.11 0.05 -0.04 1.89 1.95 2kvvA18 ILE 36 HG12 0.06 0.08 -0.16 -0.04 1.49 1.43 2kvvA18 ILE 36 HG13 -0.07 0.12 -0.56 -0.04 1.21 0.66 2kvvA18 ILE 36 HG23 0.05 0.05 -0.03 -0.04 0.93 0.96 2kvvA18 ILE 36 HD13 0.04 -0.00 -0.07 -0.04 0.88 0.81 2kvvA18 GLU 37 H -0.00 0.21 0.14 -0.55 8.60 8.40 2kvvA18 GLU 37 HA -1.00 0.08 0.45 -0.75 4.29 3.07 2kvvA18 GLU 37 HB2 -0.16 0.03 0.09 -0.04 2.09 2.01 2kvvA18 GLU 37 HB3 -0.11 0.03 0.14 -0.04 1.99 2.01 2kvvA18 GLU 37 HG2 -0.00 -0.02 0.16 -0.04 2.34 2.44 2kvvA18 GLU 37 HG3 -0.04 0.01 0.08 -0.04 2.34 2.35 2kvvA18 GLY 38 H -0.33 0.60 0.42 -0.55 8.43 8.58 2kvvA18 GLY 38 HA2 0.03 0.01 0.41 -0.51 4.01 3.95 2kvvA18 GLY 38 HA3 -0.02 0.09 0.41 -0.51 4.01 3.99 2kvvA18 VAL 39 H -0.04 0.29 -0.96 -0.55 8.24 6.97 2kvvA18 VAL 39 HA -0.03 0.15 0.69 -0.75 4.13 4.18 2kvvA18 VAL 39 HB 0.19 -0.03 0.01 -0.04 2.12 2.26 2kvvA18 VAL 39 HG13 -0.01 -0.00 -0.04 -0.04 0.97 0.88 2kvvA18 VAL 39 HG23 0.03 0.07 -0.05 -0.04 0.95 0.96 2kvvA18 HIS 40 H 0.05 0.56 0.23 -0.55 8.41 8.71 2kvvA18 HIS 40 HA -0.28 0.18 0.94 -0.75 4.63 4.71 2kvvA18 HIS 40 HB2 -0.16 -0.35 0.19 -0.04 3.26 2.90 2kvvA18 HIS 40 HB3 -0.94 -0.02 0.09 -0.04 3.20 2.30 2kvvA18 HIS 40 HD2 -0.44 -0.06 -0.23 -0.04 6.97 6.20 2kvvA18 HIS 40 HE1 -0.02 -0.01 -0.05 -0.04 7.75 7.63 2kvvA18 PHE 41 H -0.02 0.18 0.13 -0.55 8.34 8.08 2kvvA18 PHE 41 HA 0.43 0.24 0.58 -0.75 4.62 5.12 2kvvA18 PHE 41 HB2 0.47 0.04 -0.01 -0.04 3.15 3.61 2kvvA18 PHE 41 HB3 0.20 0.08 -0.23 -0.04 3.06 3.07 2kvvA18 PHE 41 HD2 0.14 -0.06 -0.30 -0.04 7.28 7.02 2kvvA18 PHE 41 HE2 0.20 0.03 -0.34 -0.04 7.38 7.23 2kvvA18 PHE 41 HZ 0.16 0.06 -0.12 -0.04 7.32 7.38 2kvvA18 LYS 42 H 0.50 0.59 0.28 -0.55 8.42 9.23 2kvvA18 LYS 42 HA 0.01 0.02 0.58 -0.75 4.32 4.18 2kvvA18 LYS 42 HB2 -0.10 0.07 0.15 -0.04 1.87 1.95 2kvvA18 LYS 42 HB3 0.03 0.02 -0.07 -0.04 1.79 1.73 2kvvA18 LYS 42 HG2 -0.58 -0.03 -0.10 -0.04 1.46 0.71 2kvvA18 LYS 42 HG3 -0.30 0.00 -0.30 -0.04 1.46 0.83 2kvvA18 LYS 42 HD2 -0.39 0.08 -0.03 -0.04 1.69 1.32 2kvvA18 LYS 42 HD3 -0.58 0.01 -0.05 -0.04 1.68 1.02 2kvvA18 LYS 42 HE2 -2.28 -0.02 -0.08 -0.04 2.99 0.56 2kvvA18 LYS 42 HE3 -0.87 -0.03 -0.09 -0.04 2.99 1.96 2kvvA18 ARG 43 H 0.06 0.10 0.15 -0.55 8.46 8.22 2kvvA18 ARG 43 HA 0.10 0.13 0.74 -0.75 4.34 4.55 2kvvA18 ARG 43 HB2 0.04 0.09 0.06 -0.04 1.90 2.05 2kvvA18 ARG 43 HB3 0.09 -0.02 0.10 -0.04 1.80 1.93 2kvvA18 ARG 43 HG2 -0.03 0.00 -0.22 -0.04 1.67 1.38 2kvvA18 ARG 43 HG3 0.01 0.05 -0.03 -0.04 1.67 1.66 2kvvA18 ARG 43 HD2 0.02 0.01 0.09 -0.04 3.22 3.30 2kvvA18 ARG 43 HD3 -0.02 -0.13 0.20 -0.04 3.22 3.24 2kvvA18 VAL 44 H 0.00 0.53 0.37 -0.55 8.24 8.59 2kvvA18 VAL 44 HA -0.23 0.13 0.91 -0.75 4.13 4.19 2kvvA18 VAL 44 HB -0.14 -0.00 0.09 -0.04 2.12 2.03 2kvvA18 VAL 44 HG13 -0.39 0.03 -0.04 -0.04 0.97 0.53 2kvvA18 VAL 44 HG23 -0.67 0.01 -0.08 -0.04 0.95 0.16 2kvvA18 SER 45 H -0.17 0.11 0.12 -0.55 8.46 7.97 2kvvA18 SER 45 HA -0.06 0.10 0.34 -0.75 4.49 4.11 2kvvA18 SER 45 HB2 -0.11 -0.00 0.11 -0.04 3.95 3.91 2kvvA18 SER 45 HB3 -0.07 -0.02 0.06 -0.04 3.93 3.86 2kvvA18 PRO 46 HA -0.01 0.04 0.38 -0.51 4.44 4.34 2kvvA18 PRO 46 HB2 -0.01 -0.05 0.02 -0.04 2.28 2.20 2kvvA18 PRO 46 HB3 -0.00 0.23 0.04 -0.04 2.02 2.25 2kvvA18 PRO 46 HG2 -0.01 0.04 0.04 -0.04 2.03 2.05 2kvvA18 PRO 46 HG3 -0.00 0.09 0.05 -0.04 2.03 2.12 2kvvA18 PRO 46 HD2 -0.03 0.05 0.19 -0.04 3.68 3.84 2kvvA18 PRO 46 HD3 -0.03 0.17 0.18 -0.04 3.65 3.93 2kvvA18 SER 47 H -0.03 0.09 -0.30 -0.55 8.46 7.67 2kvvA18 SER 47 HA -0.03 0.00 0.24 -0.75 4.49 3.94 2kvvA18 SER 47 HB2 -0.02 0.18 -0.16 -0.04 3.95 3.90 2kvvA18 SER 47 HB3 -0.03 -0.04 0.08 -0.04 3.93 3.90 2kvvA18 GLY 48 H -0.01 0.12 -0.87 -0.55 8.43 7.12 2kvvA18 GLY 48 HA2 -0.01 0.05 0.29 -0.51 4.01 3.83 2kvvA18 GLY 48 HA3 -0.01 0.05 0.55 -0.51 4.01 4.09 2kvvA18 GLU 49 H 0.00 0.17 0.09 -0.55 8.60 8.31 2kvvA18 GLU 49 HA 0.00 0.09 0.27 -0.75 4.29 3.89 2kvvA18 GLU 49 HB2 0.00 0.01 0.10 -0.04 2.09 2.16 2kvvA18 GLU 49 HB3 0.00 0.00 0.11 -0.04 1.99 2.07 2kvvA18 GLU 49 HG2 0.01 -0.01 0.05 -0.04 2.34 2.34 2kvvA18 GLU 49 HG3 0.01 0.03 -0.22 -0.04 2.34 2.11 2kvvA18 LYS 50 H 0.00 0.02 -0.55 -0.55 8.42 7.35 2kvvA18 LYS 50 HA 0.01 -0.04 0.47 -0.75 4.32 4.01 2kvvA18 LYS 50 HB2 0.01 0.01 0.12 -0.04 1.87 1.97 2kvvA18 LYS 50 HB3 0.01 -0.03 0.16 -0.04 1.79 1.89 2kvvA18 LYS 50 HG2 0.02 -0.03 -0.01 -0.04 1.46 1.40 2kvvA18 LYS 50 HG3 0.02 0.15 -0.09 -0.04 1.46 1.50 2kvvA18 LYS 50 HD2 0.03 0.10 0.05 -0.04 1.69 1.82 2kvvA18 LYS 50 HD3 0.02 -0.11 0.12 -0.04 1.68 1.68 2kvvA18 LYS 50 HE2 0.03 -0.01 0.00 -0.04 2.99 2.97 2kvvA18 LYS 50 HE3 0.05 0.02 -0.09 -0.04 2.99 2.93 2kvvA18 THR 51 H 0.01 0.03 0.22 -0.55 8.28 8.00 2kvvA18 THR 51 HA 0.01 0.20 0.45 -0.75 4.39 4.29 2kvvA18 THR 51 HB 0.01 -0.07 0.23 -0.04 4.32 4.45 2kvvA18 THR 51 HG23 0.01 0.04 0.12 -0.04 1.22 1.34 2kvvA18 LEU 52 H 0.01 0.16 0.16 -0.55 8.37 8.15 2kvvA18 LEU 52 HA 0.01 0.13 0.32 -0.75 4.35 4.05 2kvvA18 LEU 52 HB2 0.01 -0.02 0.07 -0.04 1.64 1.66 2kvvA18 LEU 52 HB3 0.01 0.04 0.09 -0.04 1.64 1.75 2kvvA18 LEU 52 HG 0.01 0.02 0.04 -0.04 1.64 1.68 2kvvA18 LEU 52 HD13 0.01 0.02 0.00 -0.04 0.93 0.91 2kvvA18 LEU 52 HD23 0.01 -0.02 0.09 -0.04 0.89 0.92 2kvvA18 ARG 53 H 0.02 -0.07 -0.56 -0.55 8.46 7.30 2kvvA18 ARG 53 HA 0.03 0.05 0.38 -0.75 4.34 4.05 2kvvA18 ARG 53 HB2 0.03 0.02 0.05 -0.04 1.90 1.95 2kvvA18 ARG 53 HB3 0.03 0.02 0.00 -0.04 1.80 1.81 2kvvA18 ARG 53 HG2 0.02 -0.12 0.03 -0.04 1.67 1.55 2kvvA18 ARG 53 HG3 0.02 0.02 0.03 -0.04 1.67 1.70 2kvvA18 ARG 53 HD2 0.02 0.02 0.00 -0.04 3.22 3.23 2kvvA18 ARG 53 HD3 0.02 0.02 -0.05 -0.04 3.22 3.17 2kvvA18 GLY 54 H 0.02 0.17 -0.20 -0.55 8.43 7.88 2kvvA18 GLY 54 HA2 0.02 0.04 0.24 -0.51 4.01 3.81 2kvvA18 GLY 54 HA3 0.03 0.11 0.53 -0.51 4.01 4.16 2kvvA18 THR 55 H 0.06 0.29 0.21 -0.55 8.28 8.28 2kvvA18 THR 55 HA 0.10 0.10 0.59 -0.75 4.39 4.43 2kvvA18 THR 55 HB 0.20 -0.00 -0.01 -0.04 4.32 4.46 2kvvA18 THR 55 HG23 0.32 -0.01 -0.12 -0.04 1.22 1.36 2kvvA18 THR 56 H 0.11 0.15 0.11 -0.55 8.28 8.10 2kvvA18 THR 56 HA 0.22 0.32 0.94 -0.75 4.39 5.11 2kvvA18 THR 56 HB 0.05 -0.07 0.11 -0.04 4.32 4.37 2kvvA18 THR 56 HG23 0.29 0.00 -0.22 -0.04 1.22 1.25 2kvvA18 TRP 57 H 0.37 0.54 0.30 -0.55 7.97 8.63 2kvvA18 TRP 57 HA -0.13 0.14 0.86 -0.75 4.62 4.73 2kvvA18 TRP 57 HB2 0.03 0.05 0.02 -0.04 3.23 3.29 2kvvA18 TRP 57 HB3 0.32 -0.03 -0.08 -0.04 3.23 3.41 2kvvA18 TRP 57 HD1 -0.05 -0.10 -0.73 -0.04 7.22 6.30 2kvvA18 TRP 57 HE1 -0.03 0.01 -0.16 -0.04 10.20 9.98 2kvvA18 TRP 57 HE3 0.23 -0.08 -0.50 -0.04 7.59 7.20 2kvvA18 TRP 57 HZ2 -0.01 0.02 -0.06 -0.04 7.44 7.35 2kvvA18 TRP 57 HZ3 0.08 0.15 -0.08 -0.04 7.13 7.24 2kvvA18 TRP 57 HH2 0.01 0.03 -0.03 -0.04 7.19 7.16 2kvvA18 TYR 58 H 0.17 0.62 0.31 -0.55 8.29 8.84 2kvvA18 TYR 58 HA 0.21 0.23 0.89 -0.75 4.56 5.14 2kvvA18 TYR 58 HB2 0.09 -0.02 0.02 -0.04 3.06 3.10 2kvvA18 TYR 58 HB3 -0.11 0.10 0.03 -0.04 2.98 2.95 2kvvA18 TYR 58 HD2 0.20 0.05 -0.11 -0.04 7.15 7.24 2kvvA18 TYR 58 HE2 0.20 -0.06 -0.08 -0.04 6.85 6.87 2kvvA18 ASN 59 H -0.13 0.60 0.04 -0.55 8.53 8.50 2kvvA18 ASN 59 HA -0.76 0.14 0.57 -0.75 4.76 3.95 2kvvA18 ASN 59 HB2 -0.47 0.01 0.23 -0.04 2.88 2.62 2kvvA18 ASN 59 HB3 -0.53 -0.13 0.04 -0.04 2.79 2.12 2kvvA18 ASN 59 HD21 -0.85 -0.09 -0.07 -0.04 7.03 5.98 2kvvA18 ASN 59 HD22 -0.74 0.06 -0.15 -0.04 7.74 6.87 2kvvA18 TYR 60 H -0.13 0.65 0.22 -0.55 8.29 8.49 2kvvA18 TYR 60 HA -0.09 -0.00 0.33 -0.75 4.56 4.05 2kvvA18 TYR 60 HB2 -0.07 0.03 0.12 -0.04 3.06 3.10 2kvvA18 TYR 60 HB3 -0.15 0.01 0.25 -0.04 2.98 3.04 2kvvA18 TYR 60 HD2 -0.06 -0.02 -0.00 -0.04 7.15 7.03 2kvvA18 TYR 60 HE2 -0.02 0.03 -0.06 -0.04 6.85 6.77 2kvvA18 PRO 61 HA -0.31 0.09 0.40 -0.51 4.44 4.11 2kvvA18 PRO 61 HB2 -0.24 0.09 -0.02 -0.04 2.28 2.08 2kvvA18 PRO 61 HB3 -0.25 0.06 0.08 -0.04 2.02 1.87 2kvvA18 PRO 61 HG2 -0.35 0.02 0.02 -0.04 2.03 1.69 2kvvA18 PRO 61 HG3 -0.35 0.01 0.06 -0.04 2.03 1.71 2kvvA18 PRO 61 HD2 -0.28 0.05 -0.05 -0.04 3.68 3.36 2kvvA18 PRO 61 HD3 -0.07 0.11 0.23 -0.04 3.65 3.88 2kvvA18 GLU 62 H -0.34 0.16 -0.15 -0.55 8.60 7.73 2kvvA18 GLU 62 HA -0.20 0.05 0.37 -0.75 4.29 3.75 2kvvA18 GLU 62 HB2 -0.67 0.05 0.17 -0.04 2.09 1.60 2kvvA18 GLU 62 HB3 -1.40 -0.00 0.03 -0.04 1.99 0.57 2kvvA18 GLU 62 HG2 -0.30 -0.12 0.07 -0.04 2.34 1.94 2kvvA18 GLU 62 HG3 -0.46 0.29 0.12 -0.04 2.34 2.25 2kvvA18 ILE 63 H -0.25 0.36 -0.39 -0.55 8.25 7.42 2kvvA18 ILE 63 HA 0.11 0.11 0.69 -0.75 4.18 4.33 2kvvA18 ILE 63 HB -0.10 0.08 0.11 -0.04 1.89 1.94 2kvvA18 ILE 63 HG12 -0.66 -0.03 -0.05 -0.04 1.49 0.72 2kvvA18 ILE 63 HG13 -0.36 0.22 0.02 -0.04 1.21 1.05 2kvvA18 ILE 63 HG23 0.23 -0.02 -0.15 -0.04 0.93 0.96 2kvvA18 ILE 63 HD13 -0.20 -0.03 -0.15 -0.04 0.88 0.46 2kvvA18 ASN 64 H -0.29 0.68 0.13 -0.55 8.53 8.51 2kvvA18 ASN 64 HA -0.07 0.05 0.51 -0.75 4.76 4.49 2kvvA18 ASN 64 HB2 -0.63 0.02 0.13 -0.04 2.88 2.35 2kvvA18 ASN 64 HB3 -0.37 0.05 0.17 -0.04 2.79 2.61 2kvvA18 ASN 64 HD21 -0.05 0.00 -0.03 -0.04 7.03 6.91 2kvvA18 ASN 64 HD22 -0.17 -0.02 -0.02 -0.04 7.74 7.49 2kvvA18 LYS 65 H -0.11 0.66 -0.09 -0.55 8.42 8.32 2kvvA18 LYS 65 HA -0.02 0.01 0.48 -0.75 4.32 4.03 2kvvA18 LYS 65 HB2 -0.04 -0.01 0.08 -0.04 1.87 1.86 2kvvA18 LYS 65 HB3 -0.02 0.05 0.13 -0.04 1.79 1.91 2kvvA18 LYS 65 HG2 0.06 0.05 -0.30 -0.04 1.46 1.22 2kvvA18 LYS 65 HG3 -0.00 -0.05 -0.01 -0.04 1.46 1.36 2kvvA18 LYS 65 HD2 -0.01 -0.04 -0.02 -0.04 1.69 1.58 2kvvA18 LYS 65 HD3 -0.01 0.01 0.03 -0.04 1.68 1.67 2kvvA18 LYS 65 HE2 0.07 0.03 -0.04 -0.04 2.99 3.01 2kvvA18 LYS 65 HE3 0.01 -0.02 -0.03 -0.04 2.99 2.91 2kvvA18 PHE 66 H 0.20 0.31 -0.39 -0.55 8.34 7.90 2kvvA18 PHE 66 HA 0.02 0.00 0.37 -0.75 4.62 4.26 2kvvA18 PHE 66 HB2 0.15 0.10 0.19 -0.04 3.15 3.56 2kvvA18 PHE 66 HB3 0.17 0.13 0.16 -0.04 3.06 3.48 2kvvA18 PHE 66 HD2 0.11 -0.00 -0.07 -0.04 7.28 7.27 2kvvA18 PHE 66 HE2 -0.39 -0.01 -0.01 -0.04 7.38 6.93 2kvvA18 PHE 66 HZ -0.25 0.06 0.03 -0.04 7.32 7.12 2kvvA18 ILE 67 H 0.17 0.48 -0.26 -0.55 8.25 8.09 2kvvA18 ILE 67 HA 0.05 0.02 0.44 -0.75 4.18 3.94 2kvvA18 ILE 67 HB 0.04 0.19 0.18 -0.04 1.89 2.26 2kvvA18 ILE 67 HG12 0.22 -0.05 0.00 -0.04 1.49 1.61 2kvvA18 ILE 67 HG13 0.21 0.25 0.07 -0.04 1.21 1.70 2kvvA18 ILE 67 HG23 0.05 -0.01 -0.06 -0.04 0.93 0.87 2kvvA18 ILE 67 HD13 0.08 -0.02 -0.00 -0.04 0.88 0.89 2kvvA18 ARG 68 H -0.00 0.49 -0.18 -0.55 8.46 8.21 2kvvA18 ARG 68 HA -0.00 0.00 0.48 -0.75 4.34 4.06 2kvvA18 ARG 68 HB2 -0.01 0.05 0.19 -0.04 1.90 2.09 2kvvA18 ARG 68 HB3 -0.02 0.10 0.23 -0.04 1.80 2.07 2kvvA18 ARG 68 HG2 0.01 -0.03 0.06 -0.04 1.67 1.67 2kvvA18 ARG 68 HG3 0.01 -0.02 0.03 -0.04 1.67 1.65 2kvvA18 ARG 68 HD2 0.03 -0.07 -0.22 -0.04 3.22 2.91 2kvvA18 ARG 68 HD3 0.03 -0.02 -0.03 -0.04 3.22 3.15 2kvvA18 ASP 69 H -0.09 0.54 0.00 -0.55 8.40 8.30 2kvvA18 ASP 69 HA -0.01 0.04 0.43 -0.75 4.63 4.34 2kvvA18 ASP 69 HB2 -0.27 0.08 0.07 -0.04 2.71 2.55 2kvvA18 ASP 69 HB3 -0.36 -0.04 0.08 -0.04 2.70 2.34 2kvvA18 SER 70 H -0.23 0.30 -0.60 -0.55 8.46 7.39 2kvvA18 SER 70 HA -0.21 0.05 0.64 -0.75 4.49 4.22 2kvvA18 SER 70 HB2 -0.57 0.02 0.06 -0.04 3.95 3.43 2kvvA18 SER 70 HB3 -0.12 0.05 0.14 -0.04 3.93 3.96 2kvvA18 LEU 71 H -0.05 0.35 -0.30 -0.55 8.37 7.82 2kvvA18 LEU 71 HA -0.01 0.05 0.66 -0.75 4.35 4.29 2kvvA18 LEU 71 HB2 0.00 0.07 0.13 -0.04 1.64 1.80 2kvvA18 LEU 71 HB3 0.00 0.04 0.29 -0.04 1.64 1.93 2kvvA18 LEU 71 HG 0.01 -0.04 -0.14 -0.04 1.64 1.43 2kvvA18 LEU 71 HD13 0.00 -0.01 0.04 -0.04 0.93 0.92 2kvvA18 LEU 71 HD23 0.01 -0.02 0.00 -0.04 0.89 0.85 2kvvA18 GLU 72 H 0.02 0.53 0.15 -0.55 8.60 8.76 2kvvA18 GLU 72 HA 0.02 0.03 0.55 -0.75 4.29 4.14 2kvvA18 GLU 72 HB2 0.11 0.04 0.16 -0.04 2.09 2.36 2kvvA18 GLU 72 HB3 0.24 -0.03 0.04 -0.04 1.99 2.20 2kvvA18 GLU 72 HG2 0.09 -0.04 0.02 -0.04 2.34 2.37 2kvvA18 GLU 72 HG3 0.09 0.00 0.01 -0.04 2.34 2.40 2kvvA18 HIS 73 H -0.02 0.33 0.17 -0.55 8.41 8.34 2kvvA18 HIS 73 HA -0.12 0.08 0.26 -0.75 4.63 4.09 2kvvA18 HIS 73 HB2 -0.12 0.11 0.10 -0.04 3.26 3.31 2kvvA18 HIS 73 HB3 -0.21 -0.06 0.20 -0.04 3.20 3.09 2kvvA18 HIS 73 HD2 -0.14 -0.04 -0.05 -0.04 6.97 6.69 2kvvA18 HIS 73 HE1 -0.20 -0.04 -0.05 -0.04 7.75 7.41 2kvvA18 HIS 74 H -0.16 0.08 0.38 -0.55 8.41 8.17 2kvvA18 HIS 74 HA -0.22 0.09 0.55 -0.75 4.63 4.29 2kvvA18 HIS 74 HB2 -0.21 0.05 -0.00 -0.04 3.26 3.05 2kvvA18 HIS 74 HB3 -0.21 -0.07 0.05 -0.04 3.20 2.93 2kvvA18 HIS 74 HD2 -0.01 0.03 -0.26 -0.04 6.97 6.68 2kvvA18 HIS 74 HE1 -0.00 -0.06 -0.01 -0.04 7.75 7.63 2kvvA18 HIS 75 H 0.01 0.05 0.24 -0.55 8.41 8.17 2kvvA18 HIS 75 HA 0.03 0.08 0.79 -0.75 4.63 4.78 2kvvA18 HIS 75 HB2 -0.06 0.08 0.15 -0.04 3.26 3.40 2kvvA18 HIS 75 HB3 0.00 0.04 0.02 -0.04 3.20 3.21 2kvvA18 HIS 75 HD2 -0.00 0.15 0.14 -0.04 6.97 7.21 2kvvA18 HIS 75 HE1 0.00 -0.02 -0.01 -0.04 7.75 7.68 2kvvA18 HIS 76 H 0.22 0.13 0.15 -0.55 8.41 8.36 2kvvA18 HIS 76 HA 0.03 0.11 0.59 -0.75 4.63 4.61 2kvvA18 HIS 76 HB2 0.03 -0.02 0.07 -0.04 3.26 3.30 2kvvA18 HIS 76 HB3 0.07 0.05 -0.06 -0.04 3.20 3.21 2kvvA18 HIS 76 HD2 -0.06 0.13 -0.09 -0.04 6.97 6.91 2kvvA18 HIS 76 HE1 0.05 -0.02 -0.03 -0.04 7.75 7.71 2kvvA18 HIS 77 H 0.18 0.12 0.12 -0.55 8.41 8.29 2kvvA18 HIS 77 HA 0.09 0.08 0.44 -0.75 4.63 4.48 2kvvA18 HIS 77 HB2 0.03 0.06 0.12 -0.04 3.26 3.42 2kvvA18 HIS 77 HB3 0.05 -0.04 0.18 -0.04 3.20 3.35 2kvvA18 HIS 77 HD2 0.03 0.06 0.02 -0.04 6.97 7.03 2kvvA18 HIS 77 HE1 -0.02 -0.02 -0.06 -0.04 7.75 7.60 2kvvA18 HIS 78 H -0.05 0.22 0.14 -0.55 8.41 8.17 2kvvA18 HIS 78 HA -0.02 0.16 0.52 -0.75 4.63 4.54 2kvvA18 HIS 78 HB2 -0.02 0.04 0.03 -0.04 3.26 3.27 2kvvA18 HIS 78 HB3 -0.08 0.01 0.09 -0.04 3.20 3.18 2kvvA18 HIS 78 HD2 -0.03 0.00 0.01 -0.04 6.97 6.91 2kvvA18 HIS 78 HE1 0.00 -0.02 0.01 -0.04 7.75 7.70