============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. TYR 11 0.840 2.958 -8.738 1.225 -99.200 -91.000 PHE 16 1.000 -1.408 -7.019 4.711 -99.200 -91.000 TYR 18 0.840 -8.470 -2.854 -2.247 -99.200 -91.000 PHE 20 1.000 0.822 2.811 -4.824 -99.200 -91.000 TYR 31 0.840 11.263 -1.277 -4.118 -99.200 -91.000 TYR 35 0.840 -4.687 0.843 4.012 -99.200 -91.000 TRP 42 1.040 0.477 6.981 11.680 -99.200 -91.000 TRP6 42 1.020 1.782 6.726 13.631 -99.200 -91.000 TYR 46 0.840 8.366 3.678 10.944 -99.200 -91.000 PHE 48 1.000 6.955 -1.345 0.766 -99.200 -91.000 PHE 58 1.000 11.370 6.119 -1.262 -99.200 -91.000 PHE 65 1.000 -2.103 5.387 -4.472 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2k8aA9 ALA 49 HA -0.01 -0.02 0.19 -0.75 4.34 3.74 2k8aA9 ALA 49 HB3 -0.01 -0.03 0.03 -0.04 1.41 1.36 2k8aA9 ASN 50 H -0.01 0.16 0.09 -0.55 8.53 8.22 2k8aA9 ASN 50 HA -0.01 0.14 0.82 -0.75 4.76 4.95 2k8aA9 ASN 50 HB2 -0.01 -0.01 0.12 -0.04 2.88 2.94 2k8aA9 ASN 50 HB3 -0.01 -0.01 -0.03 -0.04 2.79 2.70 2k8aA9 ASN 50 HD21 -0.01 0.01 -0.01 -0.04 7.03 6.99 2k8aA9 ASN 50 HD22 -0.01 -0.01 -0.04 -0.04 7.74 7.64 2k8aA9 GLN 51 H -0.01 0.26 0.17 -0.55 8.47 8.34 2k8aA9 GLN 51 HA -0.01 0.12 0.85 -0.75 4.36 4.57 2k8aA9 GLN 51 HB2 -0.01 0.04 0.05 -0.04 2.15 2.19 2k8aA9 GLN 51 HB3 -0.02 -0.11 0.02 -0.04 2.02 1.88 2k8aA9 GLN 51 HG2 -0.02 0.08 -0.13 -0.04 2.40 2.30 2k8aA9 GLN 51 HG3 -0.02 0.05 -0.54 -0.04 2.39 1.84 2k8aA9 GLN 51 HE21 -0.02 -0.01 -0.06 -0.04 6.97 6.84 2k8aA9 GLN 51 HE22 -0.02 -0.01 -0.08 -0.04 7.69 7.54 2k8aA9 GLN 52 H -0.01 0.20 0.03 -0.55 8.47 8.14 2k8aA9 GLN 52 HA -0.01 0.25 0.76 -0.75 4.36 4.60 2k8aA9 GLN 52 HB2 -0.00 0.01 0.19 -0.04 2.15 2.31 2k8aA9 GLN 52 HB3 -0.00 0.03 0.01 -0.04 2.02 2.02 2k8aA9 GLN 52 HG2 -0.01 -0.03 -0.03 -0.04 2.40 2.29 2k8aA9 GLN 52 HG3 -0.00 0.01 -0.00 -0.04 2.39 2.35 2k8aA9 GLN 52 HE21 -0.00 -0.01 -0.08 -0.04 6.97 6.83 2k8aA9 GLN 52 HE22 -0.00 0.00 -0.03 -0.04 7.69 7.62 2k8aA9 THR 53 H -0.01 0.10 -0.21 -0.55 8.28 7.61 2k8aA9 THR 53 HA -0.01 0.10 0.60 -0.75 4.39 4.33 2k8aA9 THR 53 HB -0.02 0.01 0.02 -0.04 4.32 4.30 2k8aA9 THR 53 HG23 -0.03 0.01 -0.05 -0.04 1.22 1.11 2k8aA9 SER 54 H -0.01 0.21 0.26 -0.55 8.46 8.38 2k8aA9 SER 54 HA -0.01 0.24 0.82 -0.75 4.49 4.78 2k8aA9 SER 54 HB2 0.00 0.06 -0.12 -0.04 3.95 3.86 2k8aA9 SER 54 HB3 0.01 0.01 0.03 -0.04 3.93 3.93 2k8aA9 GLY 55 H 0.00 0.20 0.11 -0.55 8.43 8.20 2k8aA9 GLY 55 HA2 0.03 0.01 0.42 -0.51 4.01 3.96 2k8aA9 GLY 55 HA3 -0.02 0.17 0.88 -0.51 4.01 4.54 2k8aA9 LYS 56 H -0.07 0.04 -0.57 -0.55 8.42 7.26 2k8aA9 LYS 56 HA -0.27 0.51 0.91 -0.75 4.32 4.72 2k8aA9 LYS 56 HB2 -0.07 -0.09 -0.07 -0.04 1.87 1.60 2k8aA9 LYS 56 HB3 -0.06 0.02 -0.04 -0.04 1.79 1.66 2k8aA9 LYS 56 HG2 -0.10 -0.09 -0.12 -0.04 1.46 1.11 2k8aA9 LYS 56 HG3 -0.16 0.09 0.06 -0.04 1.46 1.40 2k8aA9 LYS 56 HD2 -0.24 -0.01 -0.32 -0.04 1.69 1.08 2k8aA9 LYS 56 HD3 -0.10 -0.02 -0.07 -0.04 1.68 1.45 2k8aA9 LYS 56 HE2 -0.10 -0.07 -0.02 -0.04 2.99 2.76 2k8aA9 LYS 56 HE3 -0.27 -0.04 0.06 -0.04 2.99 2.71 2k8aA9 VAL 57 H -0.03 0.74 0.27 -0.55 8.24 8.67 2k8aA9 VAL 57 HA 0.03 0.17 0.76 -0.75 4.13 4.34 2k8aA9 VAL 57 HB 0.08 -0.14 -0.06 -0.04 2.12 1.96 2k8aA9 VAL 57 HG13 0.06 0.03 -0.15 -0.04 0.97 0.87 2k8aA9 VAL 57 HG23 0.04 -0.13 -0.02 -0.04 0.95 0.80 2k8aA9 LEU 58 H 0.06 0.21 0.11 -0.55 8.37 8.20 2k8aA9 LEU 58 HA 0.11 0.34 0.97 -0.75 4.35 5.02 2k8aA9 LEU 58 HB2 0.02 0.03 -0.07 -0.04 1.64 1.58 2k8aA9 LEU 58 HB3 0.03 -0.02 0.13 -0.04 1.64 1.74 2k8aA9 LEU 58 HG 0.01 -0.17 -0.39 -0.04 1.64 1.05 2k8aA9 LEU 58 HD13 -0.00 0.04 -0.38 -0.04 0.93 0.55 2k8aA9 LEU 58 HD23 -0.00 0.00 -0.08 -0.04 0.89 0.77 2k8aA9 TYR 59 H 0.27 0.88 0.18 -0.55 8.29 9.07 2k8aA9 TYR 59 HA 0.02 0.16 0.97 -0.75 4.56 4.96 2k8aA9 TYR 59 HB2 0.01 0.03 -0.01 -0.04 3.06 3.05 2k8aA9 TYR 59 HB3 0.04 -0.05 -0.19 -0.04 2.98 2.73 2k8aA9 TYR 59 HD2 0.11 0.07 -0.13 -0.04 7.15 7.16 2k8aA9 TYR 59 HE2 0.29 0.03 -0.12 -0.04 6.85 7.00 2k8aA9 GLU 60 H -0.00 0.24 0.09 -0.55 8.60 8.38 2k8aA9 GLU 60 HA -0.06 0.06 0.31 -0.75 4.29 3.85 2k8aA9 GLU 60 HB2 -0.43 0.14 -0.14 -0.04 2.09 1.62 2k8aA9 GLU 60 HB3 -0.12 0.03 0.16 -0.04 1.99 2.02 2k8aA9 GLU 60 HG2 0.01 0.03 0.02 -0.04 2.34 2.37 2k8aA9 GLU 60 HG3 0.05 -0.12 -0.20 -0.04 2.34 2.03 2k8aA9 GLY 61 H -0.10 0.01 -0.94 -0.55 8.43 6.85 2k8aA9 GLY 61 HA2 -0.05 -0.01 0.22 -0.51 4.01 3.65 2k8aA9 GLY 61 HA3 -0.08 0.22 0.84 -0.51 4.01 4.48 2k8aA9 LYS 62 H -0.31 0.50 -0.08 -0.55 8.42 7.97 2k8aA9 LYS 62 HA -0.05 0.14 0.73 -0.75 4.32 4.38 2k8aA9 LYS 62 HB2 -0.16 0.01 0.02 -0.04 1.87 1.70 2k8aA9 LYS 62 HB3 -0.30 0.02 0.03 -0.04 1.79 1.50 2k8aA9 LYS 62 HG2 0.11 0.13 -0.08 -0.04 1.46 1.57 2k8aA9 LYS 62 HG3 -0.01 -0.01 0.07 -0.04 1.46 1.47 2k8aA9 LYS 62 HD2 0.62 -0.02 -0.07 -0.04 1.69 2.19 2k8aA9 LYS 62 HD3 0.22 -0.01 -0.04 -0.04 1.68 1.81 2k8aA9 LYS 62 HE2 0.03 0.02 -0.02 -0.04 2.99 2.98 2k8aA9 LYS 62 HE3 0.19 -0.01 -0.02 -0.04 2.99 3.11 2k8aA9 GLU 63 H -0.02 0.17 0.17 -0.55 8.60 8.37 2k8aA9 GLU 63 HA 0.11 0.36 1.10 -0.75 4.29 5.10 2k8aA9 GLU 63 HB2 -0.06 -0.04 0.07 -0.04 2.09 2.03 2k8aA9 GLU 63 HB3 -0.03 0.02 -0.08 -0.04 1.99 1.86 2k8aA9 GLU 63 HG2 0.01 0.03 -0.21 -0.04 2.34 2.13 2k8aA9 GLU 63 HG3 -0.01 0.02 -0.22 -0.04 2.34 2.08 2k8aA9 PHE 64 H 0.16 0.80 0.32 -0.55 8.34 9.07 2k8aA9 PHE 64 HA -0.01 0.16 0.65 -0.75 4.62 4.67 2k8aA9 PHE 64 HB2 -0.00 0.03 -0.20 -0.04 3.15 2.93 2k8aA9 PHE 64 HB3 -0.04 -0.07 -0.27 -0.04 3.06 2.64 2k8aA9 PHE 64 HD2 0.09 -0.08 -0.32 -0.04 7.28 6.92 2k8aA9 PHE 64 HE2 0.08 -0.03 -0.07 -0.04 7.38 7.32 2k8aA9 PHE 64 HZ 0.04 0.00 -0.04 -0.04 7.32 7.27 2k8aA9 ASP 65 H 0.25 0.10 0.06 -0.55 8.40 8.27 2k8aA9 ASP 65 HA -0.16 0.06 0.45 -0.75 4.63 4.22 2k8aA9 ASP 65 HB2 0.01 0.39 0.56 -0.04 2.71 3.63 2k8aA9 ASP 65 HB3 0.00 0.09 0.13 -0.04 2.70 2.88 2k8aA9 TYR 66 H 0.14 0.65 0.15 -0.55 8.29 8.68 2k8aA9 TYR 66 HA 0.08 0.19 0.80 -0.75 4.56 4.88 2k8aA9 TYR 66 HB2 0.17 -0.04 0.12 -0.04 3.06 3.27 2k8aA9 TYR 66 HB3 0.15 0.01 -0.00 -0.04 2.98 3.10 2k8aA9 TYR 66 HD2 0.07 -0.07 -0.02 -0.04 7.15 7.09 2k8aA9 TYR 66 HE2 0.04 -0.04 0.03 -0.04 6.85 6.85 2k8aA9 VAL 67 H 0.09 0.18 -0.04 -0.55 8.24 7.92 2k8aA9 VAL 67 HA -0.05 0.35 0.83 -0.75 4.13 4.50 2k8aA9 VAL 67 HB -0.30 -0.02 -0.54 -0.04 2.12 1.21 2k8aA9 VAL 67 HG13 -0.04 -0.01 -0.19 -0.04 0.97 0.69 2k8aA9 VAL 67 HG23 -0.04 0.02 -0.36 -0.04 0.95 0.52 2k8aA9 PHE 68 H -0.01 0.62 0.21 -0.55 8.34 8.61 2k8aA9 PHE 68 HA -0.11 0.17 0.61 -0.75 4.62 4.54 2k8aA9 PHE 68 HB2 -0.12 0.07 0.01 -0.04 3.15 3.07 2k8aA9 PHE 68 HB3 -0.24 -0.08 0.07 -0.04 3.06 2.77 2k8aA9 PHE 68 HD2 -0.30 -0.03 -0.08 -0.04 7.28 6.83 2k8aA9 PHE 68 HE2 -0.51 -0.03 -0.04 -0.04 7.38 6.76 2k8aA9 PHE 68 HZ -0.55 -0.02 0.00 -0.04 7.32 6.70 2k8aA9 SER 69 H -0.75 0.18 0.13 -0.55 8.46 7.47 2k8aA9 SER 69 HA -0.36 0.26 0.93 -0.75 4.49 4.57 2k8aA9 SER 69 HB2 -0.40 -0.03 0.12 -0.04 3.95 3.60 2k8aA9 SER 69 HB3 -0.25 0.04 -0.01 -0.04 3.93 3.67 2k8aA9 ILE 70 H -0.29 1.09 0.33 -0.55 8.25 8.82 2k8aA9 ILE 70 HA -0.35 0.08 0.63 -0.75 4.18 3.78 2k8aA9 ILE 70 HB 0.09 -0.10 0.12 -0.04 1.89 1.96 2k8aA9 ILE 70 HG12 -0.22 0.07 -0.34 -0.04 1.49 0.96 2k8aA9 ILE 70 HG13 0.18 -0.01 -0.21 -0.04 1.21 1.13 2k8aA9 ILE 70 HG23 0.06 -0.00 -0.23 -0.04 0.93 0.71 2k8aA9 ILE 70 HD13 0.09 0.01 -0.21 -0.04 0.88 0.73 2k8aA9 ASP 71 H -0.17 0.21 0.18 -0.55 8.40 8.07 2k8aA9 ASP 71 HA -0.17 0.12 0.86 -0.75 4.63 4.69 2k8aA9 ASP 71 HB2 -0.12 0.04 -0.01 -0.04 2.71 2.58 2k8aA9 ASP 71 HB3 -0.07 0.01 0.10 -0.04 2.70 2.71 2k8aA9 VAL 72 H -0.14 0.11 0.09 -0.55 8.24 7.75 2k8aA9 VAL 72 HA -0.02 0.08 0.43 -0.75 4.13 3.86 2k8aA9 VAL 72 HB -0.02 0.18 -0.13 -0.04 2.12 2.11 2k8aA9 VAL 72 HG13 -0.24 0.02 -0.23 -0.04 0.97 0.48 2k8aA9 VAL 72 HG23 0.06 -0.01 -0.03 -0.04 0.95 0.93 2k8aA9 ASN 73 H -0.22 0.14 0.11 -0.55 8.53 8.02 2k8aA9 ASN 73 HA -0.07 0.19 0.93 -0.75 4.76 5.05 2k8aA9 ASN 73 HB2 -0.23 0.23 -0.03 -0.04 2.88 2.81 2k8aA9 ASN 73 HB3 -0.10 -0.11 -0.08 -0.04 2.79 2.46 2k8aA9 ASN 73 HD21 -0.36 0.59 0.08 -0.04 7.03 7.30 2k8aA9 ASN 73 HD22 -0.09 -0.05 -0.03 -0.04 7.74 7.52 2k8aA9 GLU 74 H -0.05 0.27 0.05 -0.55 8.60 8.33 2k8aA9 GLU 74 HA -0.05 0.14 0.86 -0.75 4.29 4.48 2k8aA9 GLU 74 HB2 -0.03 -0.00 0.01 -0.04 2.09 2.02 2k8aA9 GLU 74 HB3 -0.02 0.02 0.18 -0.04 1.99 2.12 2k8aA9 GLU 74 HG2 -0.02 0.00 -0.01 -0.04 2.34 2.27 2k8aA9 GLU 74 HG3 -0.02 0.03 -0.17 -0.04 2.34 2.13 2k8aA9 GLY 75 H -0.05 0.28 0.10 -0.55 8.43 8.21 2k8aA9 GLY 75 HA2 -0.03 0.01 0.36 -0.51 4.01 3.84 2k8aA9 GLY 75 HA3 -0.02 0.18 0.82 -0.51 4.01 4.47 2k8aA9 GLY 76 H -0.05 -0.04 -0.74 -0.55 8.43 7.05 2k8aA9 GLY 76 HA2 -0.03 0.20 0.75 -0.51 4.01 4.42 2k8aA9 GLY 76 HA3 -0.04 0.01 0.22 -0.51 4.01 3.68 2k8aA9 PRO 77 HA -0.03 0.02 0.40 -0.51 4.44 4.32 2k8aA9 PRO 77 HB2 0.09 0.09 -0.04 -0.04 2.28 2.38 2k8aA9 PRO 77 HB3 0.03 0.02 0.10 -0.04 2.02 2.13 2k8aA9 PRO 77 HG2 0.04 0.02 0.09 -0.04 2.03 2.13 2k8aA9 PRO 77 HG3 0.05 0.05 0.08 -0.04 2.03 2.17 2k8aA9 PRO 77 HD2 -0.03 0.05 0.18 -0.04 3.68 3.84 2k8aA9 PRO 77 HD3 -0.00 0.14 0.17 -0.04 3.65 3.92 2k8aA9 SER 78 H -0.06 0.09 0.22 -0.55 8.46 8.16 2k8aA9 SER 78 HA -0.35 0.15 0.88 -0.75 4.49 4.41 2k8aA9 SER 78 HB2 -0.08 -0.04 0.07 -0.04 3.95 3.85 2k8aA9 SER 78 HB3 -0.15 0.05 0.10 -0.04 3.93 3.89 2k8aA9 TYR 79 H -0.20 0.43 0.29 -0.55 8.29 8.26 2k8aA9 TYR 79 HA 0.06 0.20 0.81 -0.75 4.56 4.88 2k8aA9 TYR 79 HB2 0.02 -0.08 0.06 -0.04 3.06 3.02 2k8aA9 TYR 79 HB3 0.49 0.03 -0.02 -0.04 2.98 3.44 2k8aA9 TYR 79 HD2 -0.04 0.02 -0.27 -0.04 7.15 6.83 2k8aA9 TYR 79 HE2 -0.09 -0.02 -0.12 -0.04 6.85 6.58 2k8aA9 LYS 80 H 0.06 0.23 0.16 -0.55 8.42 8.33 2k8aA9 LYS 80 HA -0.27 0.45 1.07 -0.75 4.32 4.82 2k8aA9 LYS 80 HB2 -0.04 -0.03 0.00 -0.04 1.87 1.76 2k8aA9 LYS 80 HB3 -0.14 -0.03 -0.17 -0.04 1.79 1.41 2k8aA9 LYS 80 HG2 0.03 0.01 -0.28 -0.04 1.46 1.17 2k8aA9 LYS 80 HG3 0.02 -0.01 -0.14 -0.04 1.46 1.30 2k8aA9 LYS 80 HD2 -0.16 0.19 -0.01 -0.04 1.69 1.67 2k8aA9 LYS 80 HD3 -0.07 -0.02 -0.31 -0.04 1.68 1.24 2k8aA9 LYS 80 HE2 -0.08 0.03 -0.29 -0.04 2.99 2.60 2k8aA9 LYS 80 HE3 -0.10 -0.03 -0.12 -0.04 2.99 2.70 2k8aA9 LEU 81 H -0.35 0.86 0.20 -0.55 8.37 8.53 2k8aA9 LEU 81 HA -1.01 0.23 0.77 -0.75 4.35 3.58 2k8aA9 LEU 81 HB2 -0.34 0.03 -0.04 -0.04 1.64 1.26 2k8aA9 LEU 81 HB3 -0.09 -0.12 0.22 -0.04 1.64 1.61 2k8aA9 LEU 81 HG -0.11 -0.01 -0.09 -0.04 1.64 1.39 2k8aA9 LEU 81 HD13 0.00 -0.03 -0.12 -0.04 0.93 0.75 2k8aA9 LEU 81 HD23 -0.14 0.02 -0.25 -0.04 0.89 0.48 2k8aA9 PRO 82 HA -0.40 -0.05 0.28 -0.51 4.44 3.76 2k8aA9 PRO 82 HB2 -1.35 0.02 0.06 -0.04 2.28 0.96 2k8aA9 PRO 82 HB3 -1.01 0.02 -0.10 -0.04 2.02 0.88 2k8aA9 PRO 82 HG2 -1.39 0.08 -0.00 -0.04 2.03 0.67 2k8aA9 PRO 82 HG3 -1.59 0.01 -0.11 -0.04 2.03 0.30 2k8aA9 PRO 82 HD2 -0.48 0.09 0.18 -0.04 3.68 3.43 2k8aA9 PRO 82 HD3 -0.65 0.52 -0.13 -0.04 3.65 3.35 2k8aA9 TYR 83 H -0.04 0.34 -0.05 -0.55 8.29 8.00 2k8aA9 TYR 83 HA -0.18 0.12 0.93 -0.75 4.56 4.68 2k8aA9 TYR 83 HB2 -0.04 -0.02 -0.03 -0.04 3.06 2.93 2k8aA9 TYR 83 HB3 0.05 0.30 0.23 -0.04 2.98 3.52 2k8aA9 TYR 83 HD2 0.04 -0.04 -0.03 -0.04 7.15 7.08 2k8aA9 TYR 83 HE2 0.03 0.09 -0.15 -0.04 6.85 6.78 2k8aA9 ASN 84 H -0.06 0.23 0.13 -0.55 8.53 8.29 2k8aA9 ASN 84 HA -0.06 0.08 0.99 -0.75 4.76 5.03 2k8aA9 ASN 84 HB2 0.30 0.05 0.09 -0.04 2.88 3.29 2k8aA9 ASN 84 HB3 0.12 0.04 0.13 -0.04 2.79 3.03 2k8aA9 ASN 84 HD21 -0.03 -0.00 0.08 -0.04 7.03 7.04 2k8aA9 ASN 84 HD22 -0.04 0.08 0.01 -0.04 7.74 7.74 2k8aA9 THR 85 H -0.19 0.17 0.13 -0.55 8.28 7.85 2k8aA9 THR 85 HA -0.70 0.14 0.03 -0.75 4.39 3.10 2k8aA9 THR 85 HB 0.01 0.08 0.11 -0.04 4.32 4.48 2k8aA9 THR 85 HG23 0.09 0.03 0.01 -0.04 1.22 1.31 2k8aA9 SER 86 H -0.12 -0.05 -0.68 -0.55 8.46 7.07 2k8aA9 SER 86 HA 0.02 0.24 0.80 -0.75 4.49 4.80 2k8aA9 SER 86 HB2 -0.01 -0.04 -0.01 -0.04 3.95 3.85 2k8aA9 SER 86 HB3 0.01 0.02 0.14 -0.04 3.93 4.06 2k8aA9 ASP 87 H -0.03 0.46 -0.10 -0.55 8.40 8.18 2k8aA9 ASP 87 HA 0.06 0.16 0.89 -0.75 4.63 4.98 2k8aA9 ASP 87 HB2 0.05 -0.06 0.06 -0.04 2.71 2.72 2k8aA9 ASP 87 HB3 0.22 0.02 0.05 -0.04 2.70 2.95 2k8aA9 ASP 88 H 0.01 0.09 0.16 -0.55 8.40 8.11 2k8aA9 ASP 88 HA 0.15 0.26 0.53 -0.75 4.63 4.81 2k8aA9 ASP 88 HB2 -0.27 -0.10 0.11 -0.04 2.71 2.40 2k8aA9 ASP 88 HB3 0.26 -0.03 0.05 -0.04 2.70 2.94 2k8aA9 PRO 89 HA -0.07 0.13 0.35 -0.51 4.44 4.33 2k8aA9 PRO 89 HB2 0.12 -0.02 0.03 -0.04 2.28 2.37 2k8aA9 PRO 89 HB3 -0.02 0.25 0.17 -0.04 2.02 2.39 2k8aA9 PRO 89 HG2 0.31 -0.08 0.14 -0.04 2.03 2.35 2k8aA9 PRO 89 HG3 0.10 0.13 0.09 -0.04 2.03 2.31 2k8aA9 PRO 89 HD2 0.25 0.09 0.23 -0.04 3.68 4.21 2k8aA9 PRO 89 HD3 0.10 0.29 0.19 -0.04 3.65 4.19 2k8aA9 TRP 90 H 0.56 0.21 -0.04 -0.55 7.97 8.15 2k8aA9 TRP 90 HA 0.07 0.09 0.26 -0.75 4.62 4.29 2k8aA9 TRP 90 HB2 0.06 0.05 0.04 -0.04 3.23 3.34 2k8aA9 TRP 90 HB3 0.03 0.04 0.07 -0.04 3.23 3.33 2k8aA9 TRP 90 HD1 0.02 -0.04 0.02 -0.04 7.22 7.18 2k8aA9 TRP 90 HE1 0.01 0.05 -0.01 -0.04 10.20 10.21 2k8aA9 TRP 90 HE3 -0.02 -0.00 -0.09 -0.04 7.59 7.43 2k8aA9 TRP 90 HZ2 -0.01 0.03 -0.02 -0.04 7.44 7.40 2k8aA9 TRP 90 HZ3 -0.10 0.02 -0.04 -0.04 7.13 6.97 2k8aA9 TRP 90 HH2 -0.04 0.03 -0.02 -0.04 7.19 7.11 2k8aA9 LEU 91 H -0.56 0.07 -0.62 -0.55 8.37 6.71 2k8aA9 LEU 91 HA -0.48 0.13 0.59 -0.75 4.35 3.83 2k8aA9 LEU 91 HB2 -0.36 0.05 0.16 -0.04 1.64 1.44 2k8aA9 LEU 91 HB3 -0.35 0.05 0.02 -0.04 1.64 1.31 2k8aA9 LEU 91 HG -1.84 -0.08 -0.02 -0.04 1.64 -0.35 2k8aA9 LEU 91 HD13 -0.34 0.00 0.04 -0.04 0.93 0.59 2k8aA9 LEU 91 HD23 -1.33 0.02 -0.05 -0.04 0.89 -0.51 2k8aA9 THR 92 H -0.08 0.72 0.09 -0.55 8.28 8.46 2k8aA9 THR 92 HA 0.00 0.03 0.37 -0.75 4.39 4.05 2k8aA9 THR 92 HB 0.01 0.05 0.06 -0.04 4.32 4.40 2k8aA9 THR 92 HG23 0.09 -0.01 -0.08 -0.04 1.22 1.18 2k8aA9 ALA 93 H 0.04 0.66 -0.21 -0.55 8.40 8.34 2k8aA9 ALA 93 HA 0.13 0.05 0.31 -0.75 4.34 4.07 2k8aA9 ALA 93 HB3 0.12 -0.01 -0.03 -0.04 1.41 1.44 2k8aA9 TYR 94 H 0.17 0.30 -0.38 -0.55 8.29 7.83 2k8aA9 TYR 94 HA 0.04 -0.02 0.40 -0.75 4.56 4.22 2k8aA9 TYR 94 HB2 0.03 0.39 0.30 -0.04 3.06 3.74 2k8aA9 TYR 94 HB3 -0.06 0.05 0.18 -0.04 2.98 3.10 2k8aA9 TYR 94 HD2 0.06 0.01 -0.11 -0.04 7.15 7.07 2k8aA9 TYR 94 HE2 0.05 -0.00 -0.01 -0.04 6.85 6.85 2k8aA9 ASN 95 H 0.12 0.73 -0.13 -0.55 8.53 8.71 2k8aA9 ASN 95 HA 0.11 0.02 0.43 -0.75 4.76 4.57 2k8aA9 ASN 95 HB2 0.04 0.16 0.19 -0.04 2.88 3.23 2k8aA9 ASN 95 HB3 0.06 -0.01 -0.01 -0.04 2.79 2.79 2k8aA9 ASN 95 HD21 -0.05 -0.08 -0.05 -0.04 7.03 6.81 2k8aA9 ASN 95 HD22 -0.03 0.49 -0.13 -0.04 7.74 8.04 2k8aA9 PHE 96 H 0.15 0.52 -0.13 -0.55 8.34 8.32 2k8aA9 PHE 96 HA -0.06 0.05 0.47 -0.75 4.62 4.33 2k8aA9 PHE 96 HB2 -0.11 0.03 0.13 -0.04 3.15 3.16 2k8aA9 PHE 96 HB3 -0.06 0.06 0.12 -0.04 3.06 3.14 2k8aA9 PHE 96 HD2 -0.07 -0.01 -0.03 -0.04 7.28 7.14 2k8aA9 PHE 96 HE2 -0.09 -0.04 -0.08 -0.04 7.38 7.13 2k8aA9 PHE 96 HZ -0.12 -0.07 -0.12 -0.04 7.32 6.97 2k8aA9 LEU 97 H -0.03 0.58 -0.26 -0.55 8.37 8.11 2k8aA9 LEU 97 HA -0.44 -0.03 0.34 -0.75 4.35 3.47 2k8aA9 LEU 97 HB2 -0.12 0.24 0.14 -0.04 1.64 1.86 2k8aA9 LEU 97 HB3 -0.30 0.05 -0.07 -0.04 1.64 1.29 2k8aA9 LEU 97 HG -0.09 -0.05 -0.26 -0.04 1.64 1.20 2k8aA9 LEU 97 HD13 0.03 -0.01 -0.16 -0.04 0.93 0.74 2k8aA9 LEU 97 HD23 -0.04 0.00 -0.20 -0.04 0.89 0.61 2k8aA9 GLN 98 H -0.14 0.60 -0.20 -0.55 8.47 8.19 2k8aA9 GLN 98 HA -0.14 0.07 0.69 -0.75 4.36 4.23 2k8aA9 GLN 98 HB2 0.01 0.10 0.16 -0.04 2.15 2.39 2k8aA9 GLN 98 HB3 -0.01 -0.04 0.05 -0.04 2.02 1.99 2k8aA9 GLN 98 HG2 -0.26 0.12 0.05 -0.04 2.40 2.27 2k8aA9 GLN 98 HG3 0.19 -0.06 -0.00 -0.04 2.39 2.47 2k8aA9 GLN 98 HE21 -0.27 -0.03 -0.24 -0.04 6.97 6.40 2k8aA9 GLN 98 HE22 -0.12 -0.01 -0.02 -0.04 7.69 7.50 2k8aA9 LYS 99 H -0.09 0.54 -0.05 -0.55 8.42 8.27 2k8aA9 LYS 99 HA -0.02 0.01 0.39 -0.75 4.32 3.95 2k8aA9 LYS 99 HB2 0.05 0.05 0.11 -0.04 1.87 2.04 2k8aA9 LYS 99 HB3 0.00 0.01 0.26 -0.04 1.79 2.02 2k8aA9 LYS 99 HG2 0.08 -0.02 0.04 -0.04 1.46 1.52 2k8aA9 LYS 99 HG3 0.18 -0.05 -0.01 -0.04 1.46 1.54 2k8aA9 LYS 99 HD2 0.24 0.01 -0.07 -0.04 1.69 1.83 2k8aA9 LYS 99 HD3 0.04 0.03 -0.46 -0.04 1.68 1.25 2k8aA9 LYS 99 HE2 0.42 -0.03 -0.03 -0.04 2.99 3.32 2k8aA9 LYS 99 HE3 0.29 -0.02 -0.03 -0.04 2.99 3.18 2k8aA9 ASN 100 H -0.41 0.60 -0.16 -0.55 8.53 8.01 2k8aA9 ASN 100 HA -0.21 0.15 0.66 -0.75 4.76 4.61 2k8aA9 ASN 100 HB2 -0.76 -0.02 0.02 -0.04 2.88 2.08 2k8aA9 ASN 100 HB3 -0.87 -0.04 -0.11 -0.04 2.79 1.73 2k8aA9 ASN 100 HD21 -1.20 -0.05 -0.10 -0.04 7.03 5.63 2k8aA9 ASN 100 HD22 -1.74 -0.01 -0.06 -0.04 7.74 5.89 2k8aA9 ASP 101 H -0.24 0.06 -0.66 -0.55 8.40 7.02 2k8aA9 ASP 101 HA -0.15 0.07 0.41 -0.75 4.63 4.21 2k8aA9 ASP 101 HB2 -0.12 0.17 0.05 -0.04 2.71 2.77 2k8aA9 ASP 101 HB3 -0.08 -0.10 0.20 -0.04 2.70 2.68 2k8aA9 LEU 102 H -0.25 0.73 0.22 -0.55 8.37 8.52 2k8aA9 LEU 102 HA -0.10 0.18 0.75 -0.75 4.35 4.42 2k8aA9 LEU 102 HB2 -0.21 -0.05 0.02 -0.04 1.64 1.36 2k8aA9 LEU 102 HB3 -0.01 -0.11 0.10 -0.04 1.64 1.58 2k8aA9 LEU 102 HG -0.58 -0.05 -0.08 -0.04 1.64 0.89 2k8aA9 LEU 102 HD13 -0.55 0.01 -0.40 -0.04 0.93 -0.05 2k8aA9 LEU 102 HD23 -1.00 -0.00 -0.13 -0.04 0.89 -0.29 2k8aA9 ASN 103 H 0.40 0.11 0.14 -0.55 8.53 8.63 2k8aA9 ASN 103 HA 0.03 0.24 0.64 -0.75 4.76 4.92 2k8aA9 ASN 103 HB2 0.11 0.11 0.13 -0.04 2.88 3.18 2k8aA9 ASN 103 HB3 -0.13 -0.09 0.12 -0.04 2.79 2.65 2k8aA9 ASN 103 HD21 0.00 0.07 0.04 -0.04 7.03 7.10 2k8aA9 ASN 103 HD22 -0.03 0.01 0.04 -0.04 7.74 7.71 2k8aA9 PRO 104 HA -0.03 0.09 0.32 -0.51 4.44 4.31 2k8aA9 PRO 104 HB2 -0.01 0.03 -0.01 -0.04 2.28 2.26 2k8aA9 PRO 104 HB3 -0.00 0.05 0.11 -0.04 2.02 2.14 2k8aA9 PRO 104 HG2 -0.01 0.07 0.08 -0.04 2.03 2.13 2k8aA9 PRO 104 HG3 -0.05 0.12 0.09 -0.04 2.03 2.15 2k8aA9 PRO 104 HD2 -0.03 0.08 0.20 -0.04 3.68 3.90 2k8aA9 PRO 104 HD3 -0.02 0.29 0.29 -0.04 3.65 4.17 2k8aA9 MET 105 H -0.11 0.13 -0.53 -0.55 8.47 7.41 2k8aA9 MET 105 HA -0.08 0.10 0.43 -0.75 4.52 4.21 2k8aA9 MET 105 HB2 -0.17 0.03 0.06 -0.04 2.15 2.02 2k8aA9 MET 105 HB3 -0.47 0.03 -0.03 -0.04 2.03 1.52 2k8aA9 MET 105 HG2 -0.24 -0.01 -0.05 -0.04 2.63 2.28 2k8aA9 MET 105 HG3 -0.12 0.01 0.06 -0.04 2.56 2.47 2k8aA9 MET 105 HE3 -0.48 -0.00 -0.05 -0.04 2.10 1.53 2k8aA9 PHE 106 H 0.00 0.59 -0.33 -0.55 8.34 8.05 2k8aA9 PHE 106 HA 0.05 0.10 0.41 -0.75 4.62 4.43 2k8aA9 PHE 106 HB2 -0.00 0.20 0.06 -0.04 3.15 3.37 2k8aA9 PHE 106 HB3 0.08 -0.04 0.00 -0.04 3.06 3.05 2k8aA9 PHE 106 HD2 0.02 0.01 0.08 -0.04 7.28 7.36 2k8aA9 PHE 106 HE2 0.04 0.02 0.02 -0.04 7.38 7.41 2k8aA9 PHE 106 HZ 0.05 0.05 -0.01 -0.04 7.32 7.37 2k8aA9 LEU 107 H 0.10 0.30 -0.41 -0.55 8.37 7.81 2k8aA9 LEU 107 HA 0.14 0.03 0.10 -0.75 4.35 3.86 2k8aA9 LEU 107 HB2 0.06 0.01 0.05 -0.04 1.64 1.73 2k8aA9 LEU 107 HB3 0.10 0.22 0.14 -0.04 1.64 2.05 2k8aA9 LEU 107 HG 0.20 -0.04 -0.22 -0.04 1.64 1.54 2k8aA9 LEU 107 HD13 0.23 -0.01 -0.03 -0.04 0.93 1.07 2k8aA9 LEU 107 HD23 0.32 0.01 0.01 -0.04 0.89 1.20 2k8aA9 ASP 108 H 0.08 0.27 -0.26 -0.55 8.40 7.93 2k8aA9 ASP 108 HA 0.08 0.03 0.38 -0.75 4.63 4.37 2k8aA9 ASP 108 HB2 0.04 0.09 0.06 -0.04 2.71 2.86 2k8aA9 ASP 108 HB3 0.04 0.02 -0.00 -0.04 2.70 2.71 2k8aA9 GLN 109 H 0.10 0.23 -0.26 -0.55 8.47 8.00 2k8aA9 GLN 109 HA 0.08 0.05 0.34 -0.75 4.36 4.07 2k8aA9 GLN 109 HB2 0.12 0.02 0.10 -0.04 2.15 2.34 2k8aA9 GLN 109 HB3 0.20 0.14 0.20 -0.04 2.02 2.51 2k8aA9 GLN 109 HG2 0.18 0.01 -0.35 -0.04 2.40 2.19 2k8aA9 GLN 109 HG3 0.15 -0.02 -0.04 -0.04 2.39 2.44 2k8aA9 GLN 109 HE21 0.23 -0.03 -0.07 -0.04 6.97 7.06 2k8aA9 GLN 109 HE22 0.22 0.05 -0.01 -0.04 7.69 7.91 2k8aA9 VAL 110 H 0.16 0.64 -0.05 -0.55 8.24 8.45 2k8aA9 VAL 110 HA 0.07 0.06 0.36 -0.75 4.13 3.86 2k8aA9 VAL 110 HB 0.11 -0.02 -0.08 -0.04 2.12 2.08 2k8aA9 VAL 110 HG13 0.23 0.01 -0.06 -0.04 0.97 1.10 2k8aA9 VAL 110 HG23 0.18 0.12 -0.08 -0.04 0.95 1.14 2k8aA9 ALA 111 H 0.09 0.53 -0.27 -0.55 8.40 8.20 2k8aA9 ALA 111 HA -0.00 0.02 0.33 -0.75 4.34 3.93 2k8aA9 ALA 111 HB3 0.12 -0.01 -0.08 -0.04 1.41 1.40 2k8aA9 LYS 112 H 0.04 0.70 -0.13 -0.55 8.42 8.48 2k8aA9 LYS 112 HA -0.03 -0.00 0.48 -0.75 4.32 4.01 2k8aA9 LYS 112 HB2 0.02 0.17 0.16 -0.04 1.87 2.18 2k8aA9 LYS 112 HB3 -0.02 -0.05 0.02 -0.04 1.79 1.69 2k8aA9 LYS 112 HG2 0.02 0.07 0.08 -0.04 1.46 1.59 2k8aA9 LYS 112 HG3 0.01 -0.02 0.00 -0.04 1.46 1.41 2k8aA9 LYS 112 HD2 -0.02 0.00 0.03 -0.04 1.69 1.66 2k8aA9 LYS 112 HD3 -0.01 -0.06 0.04 -0.04 1.68 1.61 2k8aA9 LYS 112 HE2 -0.01 0.00 -0.00 -0.04 2.99 2.94 2k8aA9 LYS 112 HE3 0.01 -0.03 -0.01 -0.04 2.99 2.92 2k8aA9 PHE 113 H 0.04 0.48 -0.27 -0.55 8.34 8.03 2k8aA9 PHE 113 HA -0.21 0.00 0.58 -0.75 4.62 4.23 2k8aA9 PHE 113 HB2 -0.35 0.11 0.11 -0.04 3.15 2.98 2k8aA9 PHE 113 HB3 -0.55 0.08 0.06 -0.04 3.06 2.60 2k8aA9 PHE 113 HD2 -0.41 0.03 -0.13 -0.04 7.28 6.73 2k8aA9 PHE 113 HE2 -0.11 0.04 -0.05 -0.04 7.38 7.21 2k8aA9 PHE 113 HZ 0.01 0.04 -0.06 -0.04 7.32 7.27 2k8aA9 ILE 114 H -0.08 0.62 -0.07 -0.55 8.25 8.17 2k8aA9 ILE 114 HA -0.36 0.05 0.44 -0.75 4.18 3.55 2k8aA9 ILE 114 HB -0.22 0.18 0.28 -0.04 1.89 2.09 2k8aA9 ILE 114 HG12 -0.47 -0.02 -0.04 -0.04 1.49 0.92 2k8aA9 ILE 114 HG13 -0.17 0.10 0.04 -0.04 1.21 1.13 2k8aA9 ILE 114 HG23 -0.97 -0.05 -0.20 -0.04 0.93 -0.32 2k8aA9 ILE 114 HD13 -0.08 -0.04 -0.24 -0.04 0.88 0.49 2k8aA9 ILE 115 H -0.14 0.58 -0.19 -0.55 8.25 7.95 2k8aA9 ILE 115 HA -0.08 0.07 0.45 -0.75 4.18 3.86 2k8aA9 ILE 115 HB -0.08 0.16 0.24 -0.04 1.89 2.17 2k8aA9 ILE 115 HG12 0.00 -0.01 0.09 -0.04 1.49 1.52 2k8aA9 ILE 115 HG13 -0.03 0.09 0.12 -0.04 1.21 1.34 2k8aA9 ILE 115 HG23 -0.05 -0.03 -0.05 -0.04 0.93 0.77 2k8aA9 ILE 115 HD13 0.01 -0.02 -0.03 -0.04 0.88 0.80 2k8aA9 ASP 116 H -0.21 0.53 -0.14 -0.55 8.40 8.03 2k8aA9 ASP 116 HA -0.15 -0.03 0.58 -0.75 4.63 4.28 2k8aA9 ASP 116 HB2 -0.27 0.12 0.19 -0.04 2.71 2.70 2k8aA9 ASP 116 HB3 -0.57 0.20 0.15 -0.04 2.70 2.44 2k8aA9 ASN 117 H -0.22 0.49 -0.42 -0.55 8.53 7.83 2k8aA9 ASN 117 HA -0.14 -0.03 0.41 -0.75 4.76 4.25 2k8aA9 ASN 117 HB2 -0.02 0.02 0.12 -0.04 2.88 2.96 2k8aA9 ASN 117 HB3 0.04 0.22 0.10 -0.04 2.79 3.10 2k8aA9 ASN 117 HD21 0.34 0.04 -0.15 -0.04 7.03 7.22 2k8aA9 ASN 117 HD22 0.06 -0.04 -0.01 -0.04 7.74 7.71 2k8aA9 THR 118 H -0.04 0.22 -0.58 -0.55 8.28 7.33 2k8aA9 THR 118 HA 0.03 0.19 0.87 -0.75 4.39 4.73 2k8aA9 THR 118 HB 0.06 -0.03 0.03 -0.04 4.32 4.34 2k8aA9 THR 118 HG23 0.22 0.01 -0.03 -0.04 1.22 1.38 2k8aA9 LYS 119 H -0.05 0.48 0.29 -0.55 8.42 8.59 2k8aA9 LYS 119 HA -0.02 0.14 0.55 -0.75 4.32 4.24 2k8aA9 LYS 119 HB2 -0.03 -0.01 0.09 -0.04 1.87 1.88 2k8aA9 LYS 119 HB3 -0.04 0.09 0.10 -0.04 1.79 1.90 2k8aA9 LYS 119 HG2 -0.07 -0.06 -0.13 -0.04 1.46 1.16 2k8aA9 LYS 119 HG3 -0.09 -0.13 0.01 -0.04 1.46 1.21 2k8aA9 LYS 119 HD2 -0.05 0.07 -0.25 -0.04 1.69 1.42 2k8aA9 LYS 119 HD3 -0.04 0.01 -0.03 -0.04 1.68 1.58 2k8aA9 LYS 119 HE2 -0.08 -0.22 0.02 -0.04 2.99 2.66 2k8aA9 LYS 119 HE3 -0.05 0.15 0.03 -0.04 2.99 3.08 2k8aA9 GLY 120 H -0.10 0.31 0.18 -0.55 8.43 8.28 2k8aA9 GLY 120 HA2 -0.06 0.26 0.92 -0.51 4.01 4.62 2k8aA9 GLY 120 HA3 -0.11 -0.29 0.42 -0.51 4.01 3.52 2k8aA9 GLN 121 H -0.15 0.24 0.17 -0.55 8.47 8.18 2k8aA9 GLN 121 HA -0.12 0.01 0.26 -0.75 4.36 3.75 2k8aA9 GLN 121 HB2 -0.06 0.23 0.10 -0.04 2.15 2.38 2k8aA9 GLN 121 HB3 -0.08 -0.04 0.19 -0.04 2.02 2.05 2k8aA9 GLN 121 HG2 -0.12 0.07 -0.06 -0.04 2.40 2.25 2k8aA9 GLN 121 HG3 -0.07 -0.09 -0.69 -0.04 2.39 1.51 2k8aA9 GLN 121 HE21 -0.07 0.59 0.19 -0.04 6.97 7.64 2k8aA9 GLN 121 HE22 -0.02 -0.12 0.04 -0.04 7.69 7.55 2k8aA9 MET 122 H -0.10 -0.24 -0.31 -0.55 8.47 7.27 2k8aA9 MET 122 HA -0.03 0.26 0.89 -0.75 4.52 4.88 2k8aA9 MET 122 HB2 -0.03 0.19 -0.26 -0.04 2.15 2.00 2k8aA9 MET 122 HB3 -0.04 -0.16 -0.02 -0.04 2.03 1.77 2k8aA9 MET 122 HG2 -0.02 0.01 -0.07 -0.04 2.63 2.51 2k8aA9 MET 122 HG3 -0.02 -0.03 -0.28 -0.04 2.56 2.19 2k8aA9 MET 122 HE3 -0.01 0.02 -0.01 -0.04 2.10 2.06 2k8aA9 LEU 123 H -0.07 -0.03 0.06 -0.55 8.37 7.78 2k8aA9 LEU 123 HA -0.03 0.29 0.80 -0.75 4.35 4.66 2k8aA9 LEU 123 HB2 -0.04 -0.01 -0.12 -0.04 1.64 1.43 2k8aA9 LEU 123 HB3 -0.03 0.02 -0.04 -0.04 1.64 1.55 2k8aA9 LEU 123 HG -0.02 -0.04 -0.20 -0.04 1.64 1.34 2k8aA9 LEU 123 HD13 -0.02 0.01 -0.06 -0.04 0.93 0.82 2k8aA9 LEU 123 HD23 -0.01 0.05 -0.10 -0.04 0.89 0.78 2k8aA9 GLY 124 H -0.12 -0.18 0.00 -0.55 8.43 7.58 2k8aA9 GLY 124 HA2 -0.27 -0.05 0.36 -0.51 4.01 3.53 2k8aA9 GLY 124 HA3 -0.16 0.24 0.69 -0.51 4.01 4.27 2k8aA9 LEU 125 H -0.14 0.03 0.08 -0.55 8.37 7.79 2k8aA9 LEU 125 HA -0.07 0.04 0.35 -0.75 4.35 3.91 2k8aA9 LEU 125 HB2 -0.06 0.22 0.11 -0.04 1.64 1.87 2k8aA9 LEU 125 HB3 -0.04 0.10 -0.09 -0.04 1.64 1.57 2k8aA9 LEU 125 HG -0.07 -0.00 -0.02 -0.04 1.64 1.51 2k8aA9 LEU 125 HD13 -0.12 -0.02 -0.23 -0.04 0.93 0.52 2k8aA9 LEU 125 HD23 -0.03 0.01 -0.07 -0.04 0.89 0.76 2k8aA9 GLY 126 H -0.04 0.46 0.04 -0.55 8.43 8.34 2k8aA9 GLY 126 HA2 -0.02 -0.04 0.26 -0.51 4.01 3.70 2k8aA9 GLY 126 HA3 -0.03 0.20 0.80 -0.51 4.01 4.47 2k8aA9 ASN 127 H -0.01 0.10 0.08 -0.55 8.53 8.16 2k8aA9 ASN 127 HA -0.01 0.04 0.35 -0.75 4.76 4.39 2k8aA9 ASN 127 HB2 -0.01 -0.05 -0.08 -0.04 2.88 2.71 2k8aA9 ASN 127 HB3 -0.01 0.19 0.24 -0.04 2.79 3.16 2k8aA9 ASN 127 HD21 -0.01 0.01 0.12 -0.04 7.03 7.11 2k8aA9 ASN 127 HD22 -0.01 -0.02 -0.01 -0.04 7.74 7.66 2k8aA9 PRO 128 HA -0.01 0.14 0.17 -0.51 4.44 4.24 2k8aA9 PRO 128 HB2 0.00 0.03 0.05 -0.04 2.28 2.32 2k8aA9 PRO 128 HB3 -0.00 0.03 0.02 -0.04 2.02 2.02 2k8aA9 PRO 128 HG2 0.00 0.06 0.06 -0.04 2.03 2.11 2k8aA9 PRO 128 HG3 -0.01 0.06 0.02 -0.04 2.03 2.06 2k8aA9 PRO 128 HD2 -0.00 0.13 0.11 -0.04 3.68 3.88 2k8aA9 PRO 128 HD3 -0.01 -0.07 0.17 -0.04 3.65 3.71