============================================================================= 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 9.618 -13.682 7.546 -99.200 -91.000 TRP 10 1.040 11.909 -21.946 13.715 -99.200 -91.000 TRP6 10 1.020 12.564 -23.429 11.998 -99.200 -91.000 TYR 30 0.840 -0.457 -37.075 10.252 -99.200 -91.000 TRP 35 1.040 6.215 -34.947 10.946 -99.200 -91.000 TRP6 35 1.020 4.047 -34.172 10.411 -99.200 -91.000 HIS 40 0.900 5.570 -29.821 5.344 -99.200 -91.000 PHE 41 1.000 11.466 -33.654 9.677 -99.200 -91.000 TRP 57 1.040 14.475 -28.220 18.089 -99.200 -91.000 TRP6 57 1.020 13.822 -26.372 19.400 -99.200 -91.000 TYR 58 0.840 8.875 -32.837 14.756 -99.200 -91.000 TYR 60 0.840 1.559 -24.106 15.228 -99.200 -91.000 PHE 66 1.000 0.190 -33.304 5.799 -99.200 -91.000 HIS 73 0.900 -4.454 -35.996 -0.301 -99.200 -91.000 HIS 74 0.900 -9.146 -32.491 -4.330 -99.200 -91.000 HIS 75 0.900 -10.925 -38.976 -6.666 -99.200 -91.000 HIS 76 0.900 -2.237 -41.440 -4.012 -99.200 -91.000 HIS 77 0.900 -8.157 -44.598 -3.854 -99.200 -91.000 HIS 78 0.900 -1.358 -45.790 -11.392 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kvvA15 MET 1 HA -0.00 -0.03 0.13 -0.75 4.52 3.86 2kvvA15 MET 1 HB2 -0.00 -0.01 -0.01 -0.04 2.15 2.08 2kvvA15 MET 1 HB3 -0.00 -0.01 0.11 -0.04 2.03 2.08 2kvvA15 MET 1 HG2 -0.00 -0.00 0.04 -0.04 2.63 2.63 2kvvA15 MET 1 HG3 -0.00 -0.01 0.04 -0.04 2.56 2.55 2kvvA15 MET 1 HE3 -0.00 -0.00 0.02 -0.04 2.10 2.07 2kvvA15 ALA 2 H -0.01 0.35 0.14 -0.55 8.40 8.33 2kvvA15 ALA 2 HA -0.02 0.12 0.74 -0.75 4.34 4.42 2kvvA15 ALA 2 HB3 -0.01 0.00 -0.08 -0.04 1.41 1.28 2kvvA15 GLN 3 H -0.03 0.23 0.11 -0.55 8.47 8.23 2kvvA15 GLN 3 HA -0.03 0.05 0.55 -0.75 4.36 4.18 2kvvA15 GLN 3 HB2 -0.02 0.15 -0.15 -0.04 2.15 2.09 2kvvA15 GLN 3 HB3 -0.03 -0.03 -0.07 -0.04 2.02 1.86 2kvvA15 GLN 3 HG2 -0.04 0.07 -0.28 -0.04 2.40 2.11 2kvvA15 GLN 3 HG3 -0.02 -0.02 0.07 -0.04 2.39 2.38 2kvvA15 GLN 3 HE21 -0.02 -0.02 -0.12 -0.04 6.97 6.77 2kvvA15 GLN 3 HE22 -0.00 -0.01 -0.05 -0.04 7.69 7.58 2kvvA15 ILE 4 H -0.07 0.15 0.12 -0.55 8.25 7.89 2kvvA15 ILE 4 HA -0.18 0.10 0.62 -0.75 4.18 3.97 2kvvA15 ILE 4 HB -0.19 -0.00 0.08 -0.04 1.89 1.74 2kvvA15 ILE 4 HG12 -0.06 -0.04 0.00 -0.04 1.49 1.35 2kvvA15 ILE 4 HG13 -0.06 0.03 -0.01 -0.04 1.21 1.14 2kvvA15 ILE 4 HG23 -0.76 0.00 -0.15 -0.04 0.93 -0.02 2kvvA15 ILE 4 HD13 -0.09 0.02 -0.08 -0.04 0.88 0.69 2kvvA15 ILE 5 H -0.27 0.19 0.16 -0.55 8.25 7.77 2kvvA15 ILE 5 HA -0.11 0.16 0.86 -0.75 4.18 4.33 2kvvA15 ILE 5 HB -0.10 0.00 0.17 -0.04 1.89 1.93 2kvvA15 ILE 5 HG12 -0.04 0.01 -0.03 -0.04 1.49 1.39 2kvvA15 ILE 5 HG13 -0.05 0.04 -0.13 -0.04 1.21 1.03 2kvvA15 ILE 5 HG23 -0.01 -0.03 -0.16 -0.04 0.93 0.69 2kvvA15 ILE 5 HD13 -0.07 -0.04 -0.13 -0.04 0.88 0.60 2kvvA15 PHE 6 H 0.01 0.26 0.03 -0.55 8.34 8.09 2kvvA15 PHE 6 HA 0.03 0.20 0.90 -0.75 4.62 5.00 2kvvA15 PHE 6 HB2 0.05 0.03 0.17 -0.04 3.15 3.36 2kvvA15 PHE 6 HB3 0.07 -0.02 0.07 -0.04 3.06 3.14 2kvvA15 PHE 6 HD2 0.03 0.02 -0.01 -0.04 7.28 7.28 2kvvA15 PHE 6 HE2 0.02 0.01 -0.04 -0.04 7.38 7.33 2kvvA15 PHE 6 HZ 0.02 0.01 -0.05 -0.04 7.32 7.27 2kvvA15 ASN 7 H 0.11 0.26 -0.13 -0.55 8.53 8.22 2kvvA15 ASN 7 HA 0.10 0.15 0.58 -0.75 4.76 4.85 2kvvA15 ASN 7 HB2 0.08 0.01 0.13 -0.04 2.88 3.06 2kvvA15 ASN 7 HB3 0.06 0.03 0.04 -0.04 2.79 2.88 2kvvA15 ASN 7 HD21 0.06 -0.04 0.15 -0.04 7.03 7.16 2kvvA15 ASN 7 HD22 -0.01 0.03 0.06 -0.04 7.74 7.77 2kvvA15 GLU 8 H 0.16 0.60 -0.20 -0.55 8.60 8.62 2kvvA15 GLU 8 HA -0.07 0.05 0.32 -0.75 4.29 3.84 2kvvA15 GLU 8 HB2 0.29 0.06 0.19 -0.04 2.09 2.58 2kvvA15 GLU 8 HB3 0.53 -0.02 0.07 -0.04 1.99 2.53 2kvvA15 GLU 8 HG2 0.13 0.00 -0.07 -0.04 2.34 2.36 2kvvA15 GLU 8 HG3 0.20 -0.01 -0.10 -0.04 2.34 2.39 2kvvA15 GLU 9 H 0.00 0.46 0.24 -0.55 8.60 8.76 2kvvA15 GLU 9 HA 0.13 0.16 0.67 -0.75 4.29 4.50 2kvvA15 GLU 9 HB2 0.21 -0.07 0.25 -0.04 2.09 2.43 2kvvA15 GLU 9 HB3 0.01 0.00 0.08 -0.04 1.99 2.05 2kvvA15 GLU 9 HG2 0.13 0.11 -0.09 -0.04 2.34 2.45 2kvvA15 GLU 9 HG3 0.14 0.01 0.01 -0.04 2.34 2.45 2kvvA15 TRP 10 H 0.41 0.43 -0.01 -0.55 7.97 8.25 2kvvA15 TRP 10 HA 0.24 0.12 0.73 -0.75 4.62 4.95 2kvvA15 TRP 10 HB2 0.18 0.02 0.12 -0.04 3.23 3.51 2kvvA15 TRP 10 HB3 0.30 -0.01 -0.04 -0.04 3.23 3.43 2kvvA15 TRP 10 HD1 0.05 0.21 0.02 -0.04 7.22 7.46 2kvvA15 TRP 10 HE1 -0.02 -0.00 -0.03 -0.04 10.20 10.11 2kvvA15 TRP 10 HE3 0.14 -0.01 -0.19 -0.04 7.59 7.49 2kvvA15 TRP 10 HZ2 -0.05 0.02 -0.06 -0.04 7.44 7.31 2kvvA15 TRP 10 HZ3 0.02 -0.03 -0.19 -0.04 7.13 6.89 2kvvA15 TRP 10 HH2 -0.03 0.06 -0.11 -0.04 7.19 7.06 2kvvA15 MET 11 H 0.42 0.41 0.32 -0.55 8.47 9.07 2kvvA15 MET 11 HA -0.04 0.14 0.81 -0.75 4.52 4.68 2kvvA15 MET 11 HB2 -0.05 -0.13 0.08 -0.04 2.15 2.01 2kvvA15 MET 11 HB3 0.07 0.10 -0.33 -0.04 2.03 1.83 2kvvA15 MET 11 HG2 0.11 0.14 0.05 -0.04 2.63 2.89 2kvvA15 MET 11 HG3 0.06 0.02 -0.14 -0.04 2.56 2.45 2kvvA15 MET 11 HE3 -0.14 0.05 -0.11 -0.04 2.10 1.86 2kvvA15 VAL 12 H -0.45 0.13 0.17 -0.55 8.24 7.54 2kvvA15 VAL 12 HA -0.33 0.28 0.78 -0.75 4.13 4.10 2kvvA15 VAL 12 HB -0.23 -0.06 0.21 -0.04 2.12 2.00 2kvvA15 VAL 12 HG13 -0.93 0.05 0.00 -0.04 0.97 0.06 2kvvA15 VAL 12 HG23 -0.20 -0.05 0.01 -0.04 0.95 0.67 2kvvA15 GLU 13 H 0.09 0.24 0.20 -0.55 8.60 8.58 2kvvA15 GLU 13 HA -0.00 0.12 0.34 -0.75 4.29 4.00 2kvvA15 GLU 13 HB2 0.29 0.10 0.14 -0.04 2.09 2.58 2kvvA15 GLU 13 HB3 0.05 -0.00 0.10 -0.04 1.99 2.10 2kvvA15 GLU 13 HG2 -0.04 -0.02 -0.12 -0.04 2.34 2.12 2kvvA15 GLU 13 HG3 -0.16 0.02 0.01 -0.04 2.34 2.16 2kvvA15 LYS 14 H -0.03 0.09 -0.07 -0.55 8.42 7.85 2kvvA15 LYS 14 HA -0.03 0.11 0.40 -0.75 4.32 4.04 2kvvA15 LYS 14 HB2 -0.04 0.00 0.11 -0.04 1.87 1.90 2kvvA15 LYS 14 HB3 -0.06 -0.01 0.02 -0.04 1.79 1.70 2kvvA15 LYS 14 HG2 -0.03 0.01 0.05 -0.04 1.46 1.45 2kvvA15 LYS 14 HG3 -0.03 0.04 0.00 -0.04 1.46 1.43 2kvvA15 LYS 14 HD2 -0.03 -0.01 -0.32 -0.04 1.69 1.29 2kvvA15 LYS 14 HD3 -0.02 0.05 -0.05 -0.04 1.68 1.61 2kvvA15 LYS 14 HE2 -0.03 0.03 -0.05 -0.04 2.99 2.90 2kvvA15 LYS 14 HE3 -0.05 -0.08 -0.14 -0.04 2.99 2.69 2kvvA15 ALA 15 H -0.07 0.02 -0.31 -0.55 8.40 7.49 2kvvA15 ALA 15 HA -0.05 0.13 0.49 -0.75 4.34 4.15 2kvvA15 ALA 15 HB3 -0.07 0.03 0.07 -0.04 1.41 1.39 2kvvA15 LEU 16 H -0.02 0.46 -0.16 -0.55 8.37 8.11 2kvvA15 LEU 16 HA -0.01 0.04 0.31 -0.75 4.35 3.94 2kvvA15 LEU 16 HB2 0.05 0.12 0.01 -0.04 1.64 1.78 2kvvA15 LEU 16 HB3 -0.03 0.04 0.12 -0.04 1.64 1.73 2kvvA15 LEU 16 HG -0.06 -0.01 -0.09 -0.04 1.64 1.44 2kvvA15 LEU 16 HD13 0.11 -0.01 -0.23 -0.04 0.93 0.75 2kvvA15 LEU 16 HD23 0.15 0.00 -0.01 -0.04 0.89 0.99 2kvvA15 MET 17 H -0.01 0.62 -0.14 -0.55 8.47 8.39 2kvvA15 MET 17 HA 0.03 -0.06 0.42 -0.75 4.52 4.16 2kvvA15 MET 17 HB2 -0.01 0.33 0.09 -0.04 2.15 2.52 2kvvA15 MET 17 HB3 -0.01 -0.12 -0.01 -0.04 2.03 1.85 2kvvA15 MET 17 HG2 -0.02 0.12 0.17 -0.04 2.63 2.86 2kvvA15 MET 17 HG3 -0.02 0.06 -0.11 -0.04 2.56 2.46 2kvvA15 MET 17 HE3 -0.03 -0.04 -0.15 -0.04 2.10 1.85 2kvvA15 VAL 18 H -0.02 0.24 -0.44 -0.55 8.24 7.46 2kvvA15 VAL 18 HA -0.01 0.07 0.54 -0.75 4.13 3.98 2kvvA15 VAL 18 HB -0.04 0.11 0.20 -0.04 2.12 2.34 2kvvA15 VAL 18 HG13 -0.03 -0.01 -0.08 -0.04 0.97 0.81 2kvvA15 VAL 18 HG23 -0.02 0.04 0.06 -0.04 0.95 0.99 2kvvA15 ARG 19 H -0.06 0.51 -0.02 -0.55 8.46 8.33 2kvvA15 ARG 19 HA -0.10 0.06 0.46 -0.75 4.34 4.00 2kvvA15 ARG 19 HB2 -0.24 0.03 0.13 -0.04 1.90 1.78 2kvvA15 ARG 19 HB3 -0.69 -0.03 0.02 -0.04 1.80 1.06 2kvvA15 ARG 19 HG2 -0.18 0.17 0.03 -0.04 1.67 1.64 2kvvA15 ARG 19 HG3 -0.43 -0.08 -0.06 -0.04 1.67 1.05 2kvvA15 ARG 19 HD2 -0.38 0.00 0.01 -0.04 3.22 2.81 2kvvA15 ARG 19 HD3 -0.16 0.02 -0.04 -0.04 3.22 3.00 2kvvA15 THR 20 H 0.05 0.44 -0.09 -0.55 8.28 8.13 2kvvA15 THR 20 HA 0.16 0.13 0.55 -0.75 4.39 4.49 2kvvA15 THR 20 HB 0.14 -0.02 0.02 -0.04 4.32 4.42 2kvvA15 THR 20 HG23 0.25 0.01 -0.02 -0.04 1.22 1.42 2kvvA15 GLY 21 H 0.04 0.31 -0.17 -0.55 8.43 8.07 2kvvA15 GLY 21 HA2 0.02 0.07 0.34 -0.51 4.01 3.92 2kvvA15 GLY 21 HA3 0.03 0.12 0.71 -0.51 4.01 4.37 2kvvA15 LEU 22 H 0.06 -0.03 -0.19 -0.55 8.37 7.66 2kvvA15 LEU 22 HA 0.03 0.10 0.52 -0.75 4.35 4.25 2kvvA15 LEU 22 HB2 0.09 -0.04 0.00 -0.04 1.64 1.66 2kvvA15 LEU 22 HB3 0.03 -0.03 -0.02 -0.04 1.64 1.58 2kvvA15 LEU 22 HG 0.12 0.02 -0.02 -0.04 1.64 1.71 2kvvA15 LEU 22 HD13 0.12 0.01 -0.18 -0.04 0.93 0.84 2kvvA15 LEU 22 HD23 0.35 -0.01 -0.09 -0.04 0.89 1.10 2kvvA15 GLY 23 H -0.04 0.11 0.17 -0.55 8.43 8.13 2kvvA15 GLY 23 HA2 -0.03 0.28 0.86 -0.51 4.01 4.61 2kvvA15 GLY 23 HA3 -0.05 0.05 0.35 -0.51 4.01 3.85 2kvvA15 ALA 24 H -0.05 0.26 0.16 -0.55 8.40 8.22 2kvvA15 ALA 24 HA -0.08 0.07 0.35 -0.75 4.34 3.93 2kvvA15 ALA 24 HB3 -0.05 0.04 0.10 -0.04 1.41 1.47 2kvvA15 ARG 25 H -0.08 0.11 -0.12 -0.55 8.46 7.82 2kvvA15 ARG 25 HA -0.10 0.10 0.36 -0.75 4.34 3.95 2kvvA15 ARG 25 HB2 -0.09 0.09 0.03 -0.04 1.90 1.89 2kvvA15 ARG 25 HB3 -0.07 0.02 0.08 -0.04 1.80 1.79 2kvvA15 ARG 25 HG2 -0.07 -0.16 -0.01 -0.04 1.67 1.38 2kvvA15 ARG 25 HG3 -0.10 0.08 -0.19 -0.04 1.67 1.42 2kvvA15 ARG 25 HD2 -0.06 0.06 -0.04 -0.04 3.22 3.14 2kvvA15 ARG 25 HD3 -0.05 0.01 0.00 -0.04 3.22 3.14 2kvvA15 GLN 26 H -0.15 0.13 -0.54 -0.55 8.47 7.37 2kvvA15 GLN 26 HA -0.36 0.16 0.54 -0.75 4.36 3.95 2kvvA15 GLN 26 HB2 -0.16 -0.05 0.09 -0.04 2.15 1.98 2kvvA15 GLN 26 HB3 -0.19 0.04 0.12 -0.04 2.02 1.95 2kvvA15 GLN 26 HG2 -0.73 0.00 -0.07 -0.04 2.40 1.57 2kvvA15 GLN 26 HG3 -0.29 0.04 0.03 -0.04 2.39 2.13 2kvvA15 GLN 26 HE21 0.26 0.01 -0.03 -0.04 6.97 7.17 2kvvA15 GLN 26 HE22 0.12 0.06 -0.03 -0.04 7.69 7.81 2kvvA15 ILE 27 H -0.21 0.50 0.04 -0.55 8.25 8.03 2kvvA15 ILE 27 HA -0.38 0.07 0.37 -0.75 4.18 3.49 2kvvA15 ILE 27 HB -0.14 0.02 0.11 -0.04 1.89 1.83 2kvvA15 ILE 27 HG12 0.07 0.01 -0.08 -0.04 1.49 1.45 2kvvA15 ILE 27 HG13 -0.07 0.21 -0.11 -0.04 1.21 1.21 2kvvA15 ILE 27 HG23 -0.08 -0.01 -0.12 -0.04 0.93 0.68 2kvvA15 ILE 27 HD13 -0.02 -0.02 -0.17 -0.04 0.88 0.64 2kvvA15 GLU 28 H -0.22 0.62 -0.05 -0.55 8.60 8.42 2kvvA15 GLU 28 HA -0.20 0.01 0.39 -0.75 4.29 3.73 2kvvA15 GLU 28 HB2 -0.11 0.01 0.03 -0.04 2.09 1.98 2kvvA15 GLU 28 HB3 -0.11 -0.02 0.09 -0.04 1.99 1.90 2kvvA15 GLU 28 HG2 -0.15 0.12 0.10 -0.04 2.34 2.37 2kvvA15 GLU 28 HG3 -0.15 0.08 -0.13 -0.04 2.34 2.10 2kvvA15 SER 29 H -0.31 0.22 -0.52 -0.55 8.46 7.30 2kvvA15 SER 29 HA -0.16 0.06 0.48 -0.75 4.49 4.11 2kvvA15 SER 29 HB2 -0.22 0.08 0.15 -0.04 3.95 3.92 2kvvA15 SER 29 HB3 -0.45 0.16 0.13 -0.04 3.93 3.72 2kvvA15 TYR 30 H -0.56 0.35 -0.24 -0.55 8.29 7.29 2kvvA15 TYR 30 HA -0.38 0.06 0.59 -0.75 4.56 4.07 2kvvA15 TYR 30 HB2 -1.54 0.12 0.17 -0.04 3.06 1.77 2kvvA15 TYR 30 HB3 -1.75 -0.10 0.01 -0.04 2.98 1.10 2kvvA15 TYR 30 HD2 -0.28 -0.04 -0.08 -0.04 7.15 6.71 2kvvA15 TYR 30 HE2 0.03 -0.00 -0.06 -0.04 6.85 6.78 2kvvA15 ARG 31 H -0.58 0.54 -0.08 -0.55 8.46 7.78 2kvvA15 ARG 31 HA -0.26 -0.03 0.35 -0.75 4.34 3.64 2kvvA15 ARG 31 HB2 -0.16 0.17 0.10 -0.04 1.90 1.97 2kvvA15 ARG 31 HB3 -0.04 -0.02 0.01 -0.04 1.80 1.71 2kvvA15 ARG 31 HG2 -0.20 -0.06 -0.04 -0.04 1.67 1.33 2kvvA15 ARG 31 HG3 -0.38 0.18 -0.12 -0.04 1.67 1.31 2kvvA15 ARG 31 HD2 -0.03 0.05 -0.02 -0.04 3.22 3.18 2kvvA15 ARG 31 HD3 0.09 -0.03 -0.05 -0.04 3.22 3.19 2kvvA15 GLN 32 H -0.14 0.26 -0.54 -0.55 8.47 7.51 2kvvA15 GLN 32 HA 0.01 0.06 0.30 -0.75 4.36 3.97 2kvvA15 GLN 32 HB2 -0.05 0.13 0.05 -0.04 2.15 2.23 2kvvA15 GLN 32 HB3 -0.02 -0.03 0.13 -0.04 2.02 2.06 2kvvA15 GLN 32 HG2 -0.02 -0.05 0.00 -0.04 2.40 2.29 2kvvA15 GLN 32 HG3 -0.07 0.11 0.05 -0.04 2.39 2.44 2kvvA15 GLN 32 HE21 -0.11 0.30 0.02 -0.04 6.97 7.14 2kvvA15 GLN 32 HE22 -0.07 -0.08 -0.05 -0.04 7.69 7.45 2kvvA15 GLY 33 H -0.01 0.23 -0.66 -0.55 8.43 7.45 2kvvA15 GLY 33 HA2 0.04 0.11 0.59 -0.51 4.01 4.24 2kvvA15 GLY 33 HA3 0.01 -0.01 0.24 -0.51 4.01 3.75 2kvvA15 ALA 34 H -0.02 0.19 0.20 -0.55 8.40 8.23 2kvvA15 ALA 34 HA -0.07 0.07 0.37 -0.75 4.34 3.96 2kvvA15 ALA 34 HB3 -0.44 -0.02 0.10 -0.04 1.41 1.00 2kvvA15 TRP 35 H 0.31 0.49 -0.10 -0.55 7.97 8.12 2kvvA15 TRP 35 HA 0.18 -0.03 0.43 -0.75 4.62 4.46 2kvvA15 TRP 35 HB2 0.07 0.09 0.13 -0.04 3.23 3.48 2kvvA15 TRP 35 HB3 0.22 -0.05 -0.12 -0.04 3.23 3.24 2kvvA15 TRP 35 HD1 -0.13 -0.01 -0.10 -0.04 7.22 6.93 2kvvA15 TRP 35 HE1 -0.55 -0.06 -0.10 -0.04 10.20 9.45 2kvvA15 TRP 35 HE3 -0.21 -0.08 -0.72 -0.04 7.59 6.53 2kvvA15 TRP 35 HZ2 -0.06 -0.05 -0.08 -0.04 7.44 7.21 2kvvA15 TRP 35 HZ3 -0.61 0.05 -0.11 -0.04 7.13 6.42 2kvvA15 TRP 35 HH2 0.04 0.02 -0.06 -0.04 7.19 7.15 2kvvA15 ILE 36 H 0.17 0.16 0.22 -0.55 8.25 8.25 2kvvA15 ILE 36 HA 0.08 0.21 0.88 -0.75 4.18 4.59 2kvvA15 ILE 36 HB -0.30 -0.14 0.19 -0.04 1.89 1.60 2kvvA15 ILE 36 HG12 0.00 0.08 -0.10 -0.04 1.49 1.43 2kvvA15 ILE 36 HG13 -0.01 0.21 -0.16 -0.04 1.21 1.21 2kvvA15 ILE 36 HG23 -0.12 0.04 -0.01 -0.04 0.93 0.81 2kvvA15 ILE 36 HD13 -0.11 -0.01 0.02 -0.04 0.88 0.73 2kvvA15 GLU 37 H -0.21 0.21 0.11 -0.55 8.60 8.17 2kvvA15 GLU 37 HA -1.47 0.11 0.42 -0.75 4.29 2.60 2kvvA15 GLU 37 HB2 -0.38 -0.03 0.10 -0.04 2.09 1.74 2kvvA15 GLU 37 HB3 -0.43 0.02 0.07 -0.04 1.99 1.61 2kvvA15 GLU 37 HG2 -0.11 0.02 0.09 -0.04 2.34 2.30 2kvvA15 GLU 37 HG3 -0.16 0.02 -0.14 -0.04 2.34 2.02 2kvvA15 GLY 38 H -0.33 0.53 0.35 -0.55 8.43 8.44 2kvvA15 GLY 38 HA2 -0.08 -0.00 0.42 -0.51 4.01 3.83 2kvvA15 GLY 38 HA3 -0.12 0.10 0.54 -0.51 4.01 4.02 2kvvA15 VAL 39 H -0.22 0.39 -0.92 -0.55 8.24 6.94 2kvvA15 VAL 39 HA -0.09 0.14 0.73 -0.75 4.13 4.16 2kvvA15 VAL 39 HB -0.39 -0.03 0.15 -0.04 2.12 1.81 2kvvA15 VAL 39 HG13 -0.27 -0.00 -0.06 -0.04 0.97 0.59 2kvvA15 VAL 39 HG23 -0.15 0.04 -0.02 -0.04 0.95 0.78 2kvvA15 HIS 40 H -0.20 0.61 0.23 -0.55 8.41 8.51 2kvvA15 HIS 40 HA -0.15 0.13 0.68 -0.75 4.63 4.53 2kvvA15 HIS 40 HB2 -0.12 -0.06 0.14 -0.04 3.26 3.19 2kvvA15 HIS 40 HB3 -0.40 -0.06 0.04 -0.04 3.20 2.74 2kvvA15 HIS 40 HD2 -0.22 0.19 0.07 -0.04 6.97 6.95 2kvvA15 HIS 40 HE1 -0.02 0.01 -0.04 -0.04 7.75 7.66 2kvvA15 PHE 41 H -0.20 0.27 0.01 -0.55 8.34 7.87 2kvvA15 PHE 41 HA 0.03 0.01 0.49 -0.75 4.62 4.39 2kvvA15 PHE 41 HB2 -0.13 0.27 0.12 -0.04 3.15 3.36 2kvvA15 PHE 41 HB3 -0.00 0.03 -0.19 -0.04 3.06 2.85 2kvvA15 PHE 41 HD2 -0.04 -0.00 -0.39 -0.04 7.28 6.80 2kvvA15 PHE 41 HE2 0.16 0.08 -0.48 -0.04 7.38 7.09 2kvvA15 PHE 41 HZ 0.14 0.09 -0.14 -0.04 7.32 7.37 2kvvA15 LYS 42 H 0.34 0.77 0.27 -0.55 8.42 9.25 2kvvA15 LYS 42 HA -0.03 -0.01 0.65 -0.75 4.32 4.18 2kvvA15 LYS 42 HB2 0.02 0.08 0.08 -0.04 1.87 2.00 2kvvA15 LYS 42 HB3 0.09 0.06 -0.12 -0.04 1.79 1.78 2kvvA15 LYS 42 HG2 0.21 0.04 -0.12 -0.04 1.46 1.55 2kvvA15 LYS 42 HG3 0.42 -0.04 -0.04 -0.04 1.46 1.76 2kvvA15 LYS 42 HD2 -0.20 -0.03 -0.13 -0.04 1.69 1.29 2kvvA15 LYS 42 HD3 0.03 -0.05 -0.50 -0.04 1.68 1.11 2kvvA15 LYS 42 HE2 -0.18 0.03 -0.12 -0.04 2.99 2.68 2kvvA15 LYS 42 HE3 -0.06 0.04 -0.08 -0.04 2.99 2.85 2kvvA15 ARG 43 H 0.08 0.14 0.15 -0.55 8.46 8.28 2kvvA15 ARG 43 HA 0.16 0.01 0.76 -0.75 4.34 4.52 2kvvA15 ARG 43 HB2 0.09 0.02 -0.07 -0.04 1.90 1.91 2kvvA15 ARG 43 HB3 0.17 -0.01 0.02 -0.04 1.80 1.94 2kvvA15 ARG 43 HG2 0.05 -0.06 0.15 -0.04 1.67 1.76 2kvvA15 ARG 43 HG3 0.04 0.06 -0.06 -0.04 1.67 1.67 2kvvA15 ARG 43 HD2 0.06 -0.02 -0.05 -0.04 3.22 3.17 2kvvA15 ARG 43 HD3 0.09 -0.01 -0.01 -0.04 3.22 3.26 2kvvA15 VAL 44 H 0.14 0.41 0.23 -0.55 8.24 8.47 2kvvA15 VAL 44 HA -0.05 0.17 0.95 -0.75 4.13 4.45 2kvvA15 VAL 44 HB 0.09 0.04 0.23 -0.04 2.12 2.44 2kvvA15 VAL 44 HG13 -0.16 0.01 -0.11 -0.04 0.97 0.67 2kvvA15 VAL 44 HG23 -0.39 -0.02 -0.09 -0.04 0.95 0.42 2kvvA15 SER 45 H -0.03 0.22 0.16 -0.55 8.46 8.26 2kvvA15 SER 45 HA 0.02 0.15 0.84 -0.75 4.49 4.74 2kvvA15 SER 45 HB2 0.00 -0.07 -0.08 -0.04 3.95 3.76 2kvvA15 SER 45 HB3 -0.02 0.25 0.09 -0.04 3.93 4.21 2kvvA15 PRO 46 HA -0.01 0.07 0.54 -0.51 4.44 4.53 2kvvA15 PRO 46 HB2 0.00 -0.01 0.08 -0.04 2.28 2.31 2kvvA15 PRO 46 HB3 0.01 -0.01 0.12 -0.04 2.02 2.10 2kvvA15 PRO 46 HG2 0.01 -0.00 -0.01 -0.04 2.03 1.99 2kvvA15 PRO 46 HG3 0.02 0.04 0.04 -0.04 2.03 2.08 2kvvA15 PRO 46 HD2 0.01 0.33 0.33 -0.04 3.68 4.31 2kvvA15 PRO 46 HD3 0.03 0.05 0.14 -0.04 3.65 3.83 2kvvA15 SER 47 H -0.01 0.06 -0.58 -0.55 8.46 7.37 2kvvA15 SER 47 HA -0.02 0.18 0.66 -0.75 4.49 4.55 2kvvA15 SER 47 HB2 -0.01 -0.19 0.13 -0.04 3.95 3.84 2kvvA15 SER 47 HB3 -0.01 0.07 -0.13 -0.04 3.93 3.83 2kvvA15 GLY 48 H -0.02 0.07 0.06 -0.55 8.43 8.00 2kvvA15 GLY 48 HA2 -0.04 0.18 0.50 -0.51 4.01 4.15 2kvvA15 GLY 48 HA3 -0.03 -0.05 0.42 -0.51 4.01 3.85 2kvvA15 GLU 49 H -0.02 0.11 0.09 -0.55 8.60 8.23 2kvvA15 GLU 49 HA -0.02 0.23 0.63 -0.75 4.29 4.37 2kvvA15 GLU 49 HB2 -0.02 -0.03 0.10 -0.04 2.09 2.10 2kvvA15 GLU 49 HB3 -0.01 0.03 0.19 -0.04 1.99 2.15 2kvvA15 GLU 49 HG2 -0.02 0.06 -0.01 -0.04 2.34 2.33 2kvvA15 GLU 49 HG3 -0.02 -0.07 0.01 -0.04 2.34 2.22 2kvvA15 LYS 50 H -0.01 -0.05 -0.71 -0.55 8.42 7.09 2kvvA15 LYS 50 HA -0.00 0.11 0.51 -0.75 4.32 4.18 2kvvA15 LYS 50 HB2 -0.01 0.06 -0.06 -0.04 1.87 1.82 2kvvA15 LYS 50 HB3 -0.00 -0.08 0.12 -0.04 1.79 1.79 2kvvA15 LYS 50 HG2 -0.01 0.05 -0.03 -0.04 1.46 1.43 2kvvA15 LYS 50 HG3 -0.01 -0.15 -0.04 -0.04 1.46 1.21 2kvvA15 LYS 50 HD2 -0.01 0.00 0.00 -0.04 1.69 1.65 2kvvA15 LYS 50 HD3 -0.01 -0.00 -0.01 -0.04 1.68 1.62 2kvvA15 LYS 50 HE2 -0.00 0.02 0.01 -0.04 2.99 2.97 2kvvA15 LYS 50 HE3 -0.00 0.01 0.00 -0.04 2.99 2.95 2kvvA15 THR 51 H 0.00 0.05 0.06 -0.55 8.28 7.85 2kvvA15 THR 51 HA 0.01 0.06 0.36 -0.75 4.39 4.07 2kvvA15 THR 51 HB 0.01 0.03 -0.04 -0.04 4.32 4.28 2kvvA15 THR 51 HG23 0.02 -0.01 -0.04 -0.04 1.22 1.14 2kvvA15 LEU 52 H 0.02 0.07 0.09 -0.55 8.37 8.00 2kvvA15 LEU 52 HA 0.02 0.15 0.35 -0.75 4.35 4.11 2kvvA15 LEU 52 HB2 0.04 -0.10 0.17 -0.04 1.64 1.71 2kvvA15 LEU 52 HB3 0.05 -0.03 -0.07 -0.04 1.64 1.55 2kvvA15 LEU 52 HG 0.05 -0.02 -0.07 -0.04 1.64 1.56 2kvvA15 LEU 52 HD13 0.03 0.03 -0.25 -0.04 0.93 0.69 2kvvA15 LEU 52 HD23 0.03 -0.00 0.03 -0.04 0.89 0.90 2kvvA15 ARG 53 H 0.03 0.08 0.06 -0.55 8.46 8.08 2kvvA15 ARG 53 HA 0.03 0.01 0.30 -0.75 4.34 3.92 2kvvA15 ARG 53 HB2 0.02 0.29 -0.12 -0.04 1.90 2.05 2kvvA15 ARG 53 HB3 0.02 -0.01 0.18 -0.04 1.80 1.95 2kvvA15 ARG 53 HG2 0.02 -0.13 -0.33 -0.04 1.67 1.19 2kvvA15 ARG 53 HG3 0.01 0.03 -0.11 -0.04 1.67 1.56 2kvvA15 ARG 53 HD2 0.02 -0.04 0.03 -0.04 3.22 3.19 2kvvA15 ARG 53 HD3 0.01 -0.00 -0.02 -0.04 3.22 3.17 2kvvA15 GLY 54 H 0.05 -0.11 -0.59 -0.55 8.43 7.23 2kvvA15 GLY 54 HA2 0.05 0.19 0.83 -0.51 4.01 4.58 2kvvA15 GLY 54 HA3 0.07 0.15 0.32 -0.51 4.01 4.03 2kvvA15 THR 55 H 0.15 0.30 0.18 -0.55 8.28 8.36 2kvvA15 THR 55 HA 0.07 0.14 0.84 -0.75 4.39 4.69 2kvvA15 THR 55 HB 0.35 0.03 0.08 -0.04 4.32 4.73 2kvvA15 THR 55 HG23 -0.14 -0.01 -0.11 -0.04 1.22 0.92 2kvvA15 THR 56 H 0.04 0.16 0.17 -0.55 8.28 8.10 2kvvA15 THR 56 HA 0.16 0.05 0.95 -0.75 4.39 4.80 2kvvA15 THR 56 HB -0.11 -0.04 0.13 -0.04 4.32 4.27 2kvvA15 THR 56 HG23 -0.21 0.01 -0.32 -0.04 1.22 0.65 2kvvA15 TRP 57 H 0.38 0.47 0.32 -0.55 7.97 8.60 2kvvA15 TRP 57 HA -0.06 0.09 0.72 -0.75 4.62 4.61 2kvvA15 TRP 57 HB2 0.13 0.07 0.08 -0.04 3.23 3.47 2kvvA15 TRP 57 HB3 0.24 -0.01 -0.05 -0.04 3.23 3.37 2kvvA15 TRP 57 HD1 -0.00 0.09 -0.24 -0.04 7.22 7.03 2kvvA15 TRP 57 HE1 0.01 0.00 -0.07 -0.04 10.20 10.10 2kvvA15 TRP 57 HE3 0.25 -0.07 -0.49 -0.04 7.59 7.24 2kvvA15 TRP 57 HZ2 0.02 0.01 -0.04 -0.04 7.44 7.39 2kvvA15 TRP 57 HZ3 0.12 0.24 -0.11 -0.04 7.13 7.35 2kvvA15 TRP 57 HH2 0.04 0.02 -0.03 -0.04 7.19 7.18 2kvvA15 TYR 58 H 0.24 0.70 0.38 -0.55 8.29 9.06 2kvvA15 TYR 58 HA 0.17 0.10 0.98 -0.75 4.56 5.05 2kvvA15 TYR 58 HB2 0.01 -0.01 0.01 -0.04 3.06 3.03 2kvvA15 TYR 58 HB3 -0.15 0.08 -0.03 -0.04 2.98 2.84 2kvvA15 TYR 58 HD2 -0.20 0.01 -0.16 -0.04 7.15 6.76 2kvvA15 TYR 58 HE2 -0.09 -0.08 -0.04 -0.04 6.85 6.59 2kvvA15 ASN 59 H 0.04 0.61 0.30 -0.55 8.53 8.93 2kvvA15 ASN 59 HA -0.43 0.08 0.64 -0.75 4.76 4.31 2kvvA15 ASN 59 HB2 -0.17 0.10 0.19 -0.04 2.88 2.96 2kvvA15 ASN 59 HB3 -0.39 -0.08 0.04 -0.04 2.79 2.32 2kvvA15 ASN 59 HD21 -0.29 0.01 -0.06 -0.04 7.03 6.65 2kvvA15 ASN 59 HD22 -0.06 0.02 -0.19 -0.04 7.74 7.47 2kvvA15 TYR 60 H -0.02 0.47 0.27 -0.55 8.29 8.46 2kvvA15 TYR 60 HA -0.09 -0.02 0.34 -0.75 4.56 4.04 2kvvA15 TYR 60 HB2 -0.03 0.03 0.17 -0.04 3.06 3.18 2kvvA15 TYR 60 HB3 -0.09 0.07 0.26 -0.04 2.98 3.18 2kvvA15 TYR 60 HD2 -0.03 -0.02 0.02 -0.04 7.15 7.08 2kvvA15 TYR 60 HE2 -0.01 0.03 -0.11 -0.04 6.85 6.72 2kvvA15 PRO 61 HA -0.32 0.08 0.42 -0.51 4.44 4.11 2kvvA15 PRO 61 HB2 -0.16 0.03 0.01 -0.04 2.28 2.11 2kvvA15 PRO 61 HB3 -0.11 0.06 0.06 -0.04 2.02 1.99 2kvvA15 PRO 61 HG2 -0.16 0.02 0.02 -0.04 2.03 1.87 2kvvA15 PRO 61 HG3 -0.06 0.17 0.14 -0.04 2.03 2.23 2kvvA15 PRO 61 HD2 -0.25 0.00 -0.07 -0.04 3.68 3.32 2kvvA15 PRO 61 HD3 0.02 0.14 0.21 -0.04 3.65 3.97 2kvvA15 GLU 62 H -0.22 0.15 -0.28 -0.55 8.60 7.71 2kvvA15 GLU 62 HA -0.15 0.06 0.40 -0.75 4.29 3.84 2kvvA15 GLU 62 HB2 -0.17 0.15 0.24 -0.04 2.09 2.26 2kvvA15 GLU 62 HB3 -0.09 -0.05 0.02 -0.04 1.99 1.83 2kvvA15 GLU 62 HG2 -0.11 -0.14 0.04 -0.04 2.34 2.09 2kvvA15 GLU 62 HG3 -0.01 0.39 0.18 -0.04 2.34 2.86 2kvvA15 ILE 63 H -0.29 0.55 -0.06 -0.55 8.25 7.90 2kvvA15 ILE 63 HA -0.39 0.04 0.51 -0.75 4.18 3.59 2kvvA15 ILE 63 HB -0.14 0.09 0.13 -0.04 1.89 1.93 2kvvA15 ILE 63 HG12 -1.01 -0.04 -0.02 -0.04 1.49 0.37 2kvvA15 ILE 63 HG13 -0.38 0.25 0.02 -0.04 1.21 1.05 2kvvA15 ILE 63 HG23 0.07 -0.02 -0.11 -0.04 0.93 0.84 2kvvA15 ILE 63 HD13 -0.28 -0.03 -0.13 -0.04 0.88 0.39 2kvvA15 ASN 64 H -0.31 0.71 0.03 -0.55 8.53 8.41 2kvvA15 ASN 64 HA -0.12 0.01 0.47 -0.75 4.76 4.37 2kvvA15 ASN 64 HB2 -0.60 0.01 0.10 -0.04 2.88 2.35 2kvvA15 ASN 64 HB3 -0.37 0.09 0.12 -0.04 2.79 2.59 2kvvA15 ASN 64 HD21 -0.10 -0.01 -0.02 -0.04 7.03 6.86 2kvvA15 ASN 64 HD22 -0.21 -0.01 -0.03 -0.04 7.74 7.46 2kvvA15 LYS 65 H -0.18 0.45 -0.32 -0.55 8.42 7.82 2kvvA15 LYS 65 HA -0.08 0.01 0.48 -0.75 4.32 3.98 2kvvA15 LYS 65 HB2 -0.09 0.05 0.13 -0.04 1.87 1.92 2kvvA15 LYS 65 HB3 -0.11 0.19 0.19 -0.04 1.79 2.01 2kvvA15 LYS 65 HG2 0.01 -0.00 -0.11 -0.04 1.46 1.31 2kvvA15 LYS 65 HG3 -0.02 -0.04 0.06 -0.04 1.46 1.42 2kvvA15 LYS 65 HD2 -0.02 -0.03 -0.02 -0.04 1.69 1.59 2kvvA15 LYS 65 HD3 0.03 0.01 -0.00 -0.04 1.68 1.67 2kvvA15 LYS 65 HE2 0.05 0.00 -0.02 -0.04 2.99 2.98 2kvvA15 LYS 65 HE3 0.01 -0.01 -0.00 -0.04 2.99 2.95 2kvvA15 PHE 66 H -0.06 0.33 -0.31 -0.55 8.34 7.75 2kvvA15 PHE 66 HA -0.07 0.06 0.62 -0.75 4.62 4.47 2kvvA15 PHE 66 HB2 -0.29 0.03 0.11 -0.04 3.15 2.96 2kvvA15 PHE 66 HB3 -0.22 0.09 0.23 -0.04 3.06 3.11 2kvvA15 PHE 66 HD2 0.01 0.02 -0.04 -0.04 7.28 7.23 2kvvA15 PHE 66 HE2 -0.42 -0.00 -0.04 -0.04 7.38 6.88 2kvvA15 PHE 66 HZ -0.22 0.01 -0.03 -0.04 7.32 7.04 2kvvA15 ILE 67 H -0.00 0.68 0.06 -0.55 8.25 8.44 2kvvA15 ILE 67 HA -0.19 -0.02 0.29 -0.75 4.18 3.51 2kvvA15 ILE 67 HB -0.04 0.11 0.15 -0.04 1.89 2.07 2kvvA15 ILE 67 HG12 0.15 -0.08 0.01 -0.04 1.49 1.53 2kvvA15 ILE 67 HG13 0.10 0.35 0.04 -0.04 1.21 1.66 2kvvA15 ILE 67 HG23 -0.00 -0.00 -0.10 -0.04 0.93 0.78 2kvvA15 ILE 67 HD13 0.09 -0.02 -0.06 -0.04 0.88 0.85 2kvvA15 ARG 68 H -0.11 0.33 -0.42 -0.55 8.46 7.70 2kvvA15 ARG 68 HA -0.08 0.02 0.38 -0.75 4.34 3.91 2kvvA15 ARG 68 HB2 -0.07 0.03 0.09 -0.04 1.90 1.92 2kvvA15 ARG 68 HB3 -0.08 0.14 0.06 -0.04 1.80 1.87 2kvvA15 ARG 68 HG2 -0.07 -0.03 -0.33 -0.04 1.67 1.21 2kvvA15 ARG 68 HG3 -0.05 -0.03 0.01 -0.04 1.67 1.56 2kvvA15 ARG 68 HD2 -0.04 -0.01 0.00 -0.04 3.22 3.13 2kvvA15 ARG 68 HD3 -0.04 0.06 -0.00 -0.04 3.22 3.19 2kvvA15 ASP 69 H -0.23 0.41 -0.17 -0.55 8.40 7.86 2kvvA15 ASP 69 HA -0.10 -0.02 0.32 -0.75 4.63 4.08 2kvvA15 ASP 69 HB2 -0.10 0.01 0.15 -0.04 2.71 2.73 2kvvA15 ASP 69 HB3 -0.43 0.15 0.14 -0.04 2.70 2.52 2kvvA15 SER 70 H -0.42 0.35 -0.34 -0.55 8.46 7.51 2kvvA15 SER 70 HA -0.22 -0.00 0.33 -0.75 4.49 3.84 2kvvA15 SER 70 HB2 -0.37 -0.08 0.08 -0.04 3.95 3.53 2kvvA15 SER 70 HB3 -0.16 0.27 0.11 -0.04 3.93 4.11 2kvvA15 LEU 71 H -0.11 0.42 -0.43 -0.55 8.37 7.70 2kvvA15 LEU 71 HA -0.03 0.08 0.66 -0.75 4.35 4.30 2kvvA15 LEU 71 HB2 -0.06 0.18 0.18 -0.04 1.64 1.90 2kvvA15 LEU 71 HB3 -0.04 -0.06 0.03 -0.04 1.64 1.53 2kvvA15 LEU 71 HG -0.03 -0.05 0.02 -0.04 1.64 1.54 2kvvA15 LEU 71 HD13 -0.01 -0.01 -0.02 -0.04 0.93 0.85 2kvvA15 LEU 71 HD23 -0.05 -0.05 -0.04 -0.04 0.89 0.71 2kvvA15 GLU 72 H -0.08 0.26 0.02 -0.55 8.60 8.26 2kvvA15 GLU 72 HA -0.09 0.17 0.68 -0.75 4.29 4.30 2kvvA15 GLU 72 HB2 -0.15 -0.05 0.12 -0.04 2.09 1.96 2kvvA15 GLU 72 HB3 -0.08 -0.02 -0.03 -0.04 1.99 1.82 2kvvA15 GLU 72 HG2 -0.09 0.17 0.02 -0.04 2.34 2.40 2kvvA15 GLU 72 HG3 -0.12 -0.03 -0.14 -0.04 2.34 2.01 2kvvA15 HIS 73 H -0.01 0.37 -0.12 -0.55 8.41 8.11 2kvvA15 HIS 73 HA -0.14 -0.13 0.37 -0.75 4.63 3.97 2kvvA15 HIS 73 HB2 -0.12 0.17 0.04 -0.04 3.26 3.32 2kvvA15 HIS 73 HB3 -0.06 -0.01 0.07 -0.04 3.20 3.15 2kvvA15 HIS 73 HD2 0.00 -0.01 -0.08 -0.04 6.97 6.84 2kvvA15 HIS 73 HE1 0.00 -0.05 -0.03 -0.04 7.75 7.63 2kvvA15 HIS 74 H -0.42 0.00 0.20 -0.55 8.41 7.65 2kvvA15 HIS 74 HA -0.06 0.09 0.34 -0.75 4.63 4.24 2kvvA15 HIS 74 HB2 -0.28 -0.03 0.04 -0.04 3.26 2.95 2kvvA15 HIS 74 HB3 -0.28 -0.05 0.11 -0.04 3.20 2.94 2kvvA15 HIS 74 HD2 -0.02 -0.03 0.05 -0.04 6.97 6.93 2kvvA15 HIS 74 HE1 -0.05 -0.03 0.02 -0.04 7.75 7.65 2kvvA15 HIS 75 H 0.04 0.08 0.12 -0.55 8.41 8.11 2kvvA15 HIS 75 HA 0.07 0.09 0.38 -0.75 4.63 4.42 2kvvA15 HIS 75 HB2 0.28 0.01 -0.01 -0.04 3.26 3.51 2kvvA15 HIS 75 HB3 0.13 0.03 0.11 -0.04 3.20 3.42 2kvvA15 HIS 75 HD2 0.10 -0.00 0.02 -0.04 6.97 7.04 2kvvA15 HIS 75 HE1 0.02 0.00 0.05 -0.04 7.75 7.77 2kvvA15 HIS 76 H 0.03 0.23 0.19 -0.55 8.41 8.32 2kvvA15 HIS 76 HA -0.05 0.10 0.78 -0.75 4.63 4.71 2kvvA15 HIS 76 HB2 0.08 0.05 0.02 -0.04 3.26 3.38 2kvvA15 HIS 76 HB3 0.00 0.01 0.19 -0.04 3.20 3.36 2kvvA15 HIS 76 HD2 0.05 0.01 -0.05 -0.04 6.97 6.93 2kvvA15 HIS 76 HE1 0.03 -0.01 -0.05 -0.04 7.75 7.68 2kvvA15 HIS 77 H -0.07 0.30 0.02 -0.55 8.41 8.12 2kvvA15 HIS 77 HA -0.08 0.11 0.72 -0.75 4.63 4.62 2kvvA15 HIS 77 HB2 0.06 0.00 -0.02 -0.04 3.26 3.27 2kvvA15 HIS 77 HB3 0.01 -0.02 -0.05 -0.04 3.20 3.11 2kvvA15 HIS 77 HD2 0.14 -0.04 -0.24 -0.04 6.97 6.79 2kvvA15 HIS 77 HE1 0.07 -0.02 -0.01 -0.04 7.75 7.76 2kvvA15 HIS 78 H 0.05 0.22 0.00 -0.55 8.41 8.13 2kvvA15 HIS 78 HA -0.01 0.26 0.73 -0.75 4.63 4.85 2kvvA15 HIS 78 HB2 -0.08 0.02 -0.06 -0.04 3.26 3.10 2kvvA15 HIS 78 HB3 -0.03 0.01 0.06 -0.04 3.20 3.21 2kvvA15 HIS 78 HD2 -0.00 0.01 -0.00 -0.04 6.97 6.93 2kvvA15 HIS 78 HE1 0.01 -0.01 0.01 -0.04 7.75 7.72