============================================================================= 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 2.820 -8.987 0.791 -99.200 -91.000 PHE 16 1.000 -1.248 -7.050 4.430 -99.200 -91.000 TYR 18 0.840 -8.462 -2.626 -2.088 -99.200 -91.000 PHE 20 1.000 1.252 3.020 -4.680 -99.200 -91.000 TYR 31 0.840 11.613 -1.771 -3.575 -99.200 -91.000 TYR 35 0.840 -4.760 0.809 3.613 -99.200 -91.000 TRP 42 1.040 0.264 7.142 11.303 -99.200 -91.000 TRP6 42 1.020 1.423 6.765 13.322 -99.200 -91.000 TYR 46 0.840 8.169 3.734 10.983 -99.200 -91.000 PHE 48 1.000 7.275 -1.493 0.859 -99.200 -91.000 PHE 58 1.000 11.414 6.126 -1.190 -99.200 -91.000 PHE 65 1.000 -1.858 5.327 -4.812 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2k8aA6 ALA 49 HA 0.00 -0.02 0.17 -0.75 4.34 3.74 2k8aA6 ALA 49 HB3 0.00 -0.03 0.05 -0.04 1.41 1.39 2k8aA6 ASN 50 H 0.00 0.13 0.02 -0.55 8.53 8.14 2k8aA6 ASN 50 HA 0.01 0.02 0.49 -0.75 4.76 4.53 2k8aA6 ASN 50 HB2 0.00 0.03 0.14 -0.04 2.88 3.01 2k8aA6 ASN 50 HB3 0.01 -0.03 -0.10 -0.04 2.79 2.63 2k8aA6 ASN 50 HD21 0.01 0.02 -0.05 -0.04 7.03 6.96 2k8aA6 ASN 50 HD22 0.00 0.01 -0.03 -0.04 7.74 7.68 2k8aA6 GLN 51 H 0.01 0.21 0.25 -0.55 8.47 8.39 2k8aA6 GLN 51 HA 0.01 0.18 0.71 -0.75 4.36 4.51 2k8aA6 GLN 51 HB2 0.01 -0.03 0.10 -0.04 2.15 2.19 2k8aA6 GLN 51 HB3 0.01 -0.02 0.05 -0.04 2.02 2.02 2k8aA6 GLN 51 HG2 0.00 0.22 -0.08 -0.04 2.40 2.50 2k8aA6 GLN 51 HG3 0.00 -0.03 0.00 -0.04 2.39 2.32 2k8aA6 GLN 51 HE21 0.00 -0.02 -0.70 -0.04 6.97 6.21 2k8aA6 GLN 51 HE22 0.00 -0.04 -0.14 -0.04 7.69 7.48 2k8aA6 GLN 52 H 0.01 0.06 -0.00 -0.55 8.47 7.99 2k8aA6 GLN 52 HA 0.02 0.23 0.87 -0.75 4.36 4.72 2k8aA6 GLN 52 HB2 0.02 0.03 -0.06 -0.04 2.15 2.10 2k8aA6 GLN 52 HB3 0.02 -0.02 0.18 -0.04 2.02 2.16 2k8aA6 GLN 52 HG2 0.03 0.00 -0.02 -0.04 2.40 2.37 2k8aA6 GLN 52 HG3 0.03 -0.04 -0.19 -0.04 2.39 2.16 2k8aA6 GLN 52 HE21 0.04 -0.02 -0.20 -0.04 6.97 6.74 2k8aA6 GLN 52 HE22 0.03 0.02 -0.03 -0.04 7.69 7.67 2k8aA6 THR 53 H 0.02 0.27 -0.14 -0.55 8.28 7.89 2k8aA6 THR 53 HA 0.02 0.12 0.72 -0.75 4.39 4.50 2k8aA6 THR 53 HB 0.01 0.04 0.18 -0.04 4.32 4.51 2k8aA6 THR 53 HG23 -0.00 -0.02 -0.03 -0.04 1.22 1.12 2k8aA6 SER 54 H 0.03 0.30 -0.01 -0.55 8.46 8.23 2k8aA6 SER 54 HA 0.08 0.15 0.54 -0.75 4.49 4.52 2k8aA6 SER 54 HB2 0.06 -0.01 0.02 -0.04 3.95 3.98 2k8aA6 SER 54 HB3 0.06 -0.01 0.18 -0.04 3.93 4.12 2k8aA6 GLY 55 H 0.00 0.48 -0.57 -0.55 8.43 7.79 2k8aA6 GLY 55 HA2 -0.02 0.16 0.68 -0.51 4.01 4.32 2k8aA6 GLY 55 HA3 -0.03 -0.10 0.32 -0.51 4.01 3.68 2k8aA6 LYS 56 H -0.07 0.04 0.13 -0.55 8.42 7.96 2k8aA6 LYS 56 HA -0.21 0.44 1.11 -0.75 4.32 4.91 2k8aA6 LYS 56 HB2 -0.06 -0.09 0.11 -0.04 1.87 1.78 2k8aA6 LYS 56 HB3 -0.05 0.00 -0.09 -0.04 1.79 1.60 2k8aA6 LYS 56 HG2 -0.08 -0.05 -0.09 -0.04 1.46 1.20 2k8aA6 LYS 56 HG3 -0.12 0.02 -0.23 -0.04 1.46 1.10 2k8aA6 LYS 56 HD2 -0.21 0.14 -0.36 -0.04 1.69 1.22 2k8aA6 LYS 56 HD3 -0.09 -0.05 -0.06 -0.04 1.68 1.44 2k8aA6 LYS 56 HE2 -0.07 -0.01 -0.05 -0.04 2.99 2.82 2k8aA6 LYS 56 HE3 -0.11 -0.07 -0.05 -0.04 2.99 2.72 2k8aA6 VAL 57 H -0.04 0.67 0.25 -0.55 8.24 8.56 2k8aA6 VAL 57 HA 0.03 0.12 0.59 -0.75 4.13 4.11 2k8aA6 VAL 57 HB 0.08 -0.17 -0.01 -0.04 2.12 1.99 2k8aA6 VAL 57 HG13 0.07 0.03 -0.14 -0.04 0.97 0.88 2k8aA6 VAL 57 HG23 0.03 -0.07 0.07 -0.04 0.95 0.94 2k8aA6 LEU 58 H 0.05 0.20 0.17 -0.55 8.37 8.25 2k8aA6 LEU 58 HA 0.10 0.33 0.85 -0.75 4.35 4.87 2k8aA6 LEU 58 HB2 0.02 0.03 -0.01 -0.04 1.64 1.64 2k8aA6 LEU 58 HB3 0.03 -0.01 0.15 -0.04 1.64 1.77 2k8aA6 LEU 58 HG -0.00 -0.20 -0.35 -0.04 1.64 1.05 2k8aA6 LEU 58 HD13 -0.01 0.02 -0.37 -0.04 0.93 0.53 2k8aA6 LEU 58 HD23 -0.00 0.01 -0.06 -0.04 0.89 0.79 2k8aA6 TYR 59 H 0.23 0.92 0.23 -0.55 8.29 9.11 2k8aA6 TYR 59 HA 0.01 0.17 0.97 -0.75 4.56 4.96 2k8aA6 TYR 59 HB2 -0.00 0.02 0.00 -0.04 3.06 3.04 2k8aA6 TYR 59 HB3 0.02 -0.03 -0.16 -0.04 2.98 2.77 2k8aA6 TYR 59 HD2 0.09 0.08 -0.08 -0.04 7.15 7.20 2k8aA6 TYR 59 HE2 0.28 0.01 -0.12 -0.04 6.85 6.99 2k8aA6 GLU 60 H 0.00 0.24 0.06 -0.55 8.60 8.36 2k8aA6 GLU 60 HA -0.05 0.06 0.31 -0.75 4.29 3.85 2k8aA6 GLU 60 HB2 -0.24 0.12 -0.19 -0.04 2.09 1.74 2k8aA6 GLU 60 HB3 -0.07 0.03 0.18 -0.04 1.99 2.08 2k8aA6 GLU 60 HG2 0.06 -0.10 -0.11 -0.04 2.34 2.15 2k8aA6 GLU 60 HG3 0.05 0.05 -0.04 -0.04 2.34 2.37 2k8aA6 GLY 61 H -0.11 0.01 -0.79 -0.55 8.43 7.00 2k8aA6 GLY 61 HA2 -0.06 -0.01 0.20 -0.51 4.01 3.63 2k8aA6 GLY 61 HA3 -0.09 0.22 0.78 -0.51 4.01 4.41 2k8aA6 LYS 62 H -0.36 0.54 -0.15 -0.55 8.42 7.89 2k8aA6 LYS 62 HA -0.06 0.15 0.79 -0.75 4.32 4.45 2k8aA6 LYS 62 HB2 -0.21 0.03 0.01 -0.04 1.87 1.66 2k8aA6 LYS 62 HB3 -0.24 0.00 -0.01 -0.04 1.79 1.50 2k8aA6 LYS 62 HG2 0.07 0.04 -0.03 -0.04 1.46 1.50 2k8aA6 LYS 62 HG3 -0.00 0.01 0.04 -0.04 1.46 1.46 2k8aA6 LYS 62 HD2 0.72 -0.02 -0.09 -0.04 1.69 2.26 2k8aA6 LYS 62 HD3 0.15 -0.01 -0.04 -0.04 1.68 1.74 2k8aA6 LYS 62 HE2 0.07 -0.00 -0.02 -0.04 2.99 2.99 2k8aA6 LYS 62 HE3 0.06 0.03 -0.03 -0.04 2.99 3.01 2k8aA6 GLU 63 H -0.01 0.17 0.15 -0.55 8.60 8.36 2k8aA6 GLU 63 HA 0.12 0.37 0.99 -0.75 4.29 5.02 2k8aA6 GLU 63 HB2 -0.04 -0.04 0.09 -0.04 2.09 2.05 2k8aA6 GLU 63 HB3 -0.03 0.02 -0.14 -0.04 1.99 1.81 2k8aA6 GLU 63 HG2 0.01 0.04 -0.28 -0.04 2.34 2.07 2k8aA6 GLU 63 HG3 -0.01 0.00 -0.25 -0.04 2.34 2.04 2k8aA6 PHE 64 H 0.20 0.78 0.27 -0.55 8.34 9.05 2k8aA6 PHE 64 HA -0.02 0.18 0.81 -0.75 4.62 4.84 2k8aA6 PHE 64 HB2 -0.01 0.05 -0.11 -0.04 3.15 3.05 2k8aA6 PHE 64 HB3 -0.05 -0.04 -0.22 -0.04 3.06 2.71 2k8aA6 PHE 64 HD2 0.10 -0.06 -0.37 -0.04 7.28 6.91 2k8aA6 PHE 64 HE2 0.08 -0.03 -0.09 -0.04 7.38 7.30 2k8aA6 PHE 64 HZ 0.03 0.00 -0.05 -0.04 7.32 7.26 2k8aA6 ASP 65 H 0.18 0.10 0.10 -0.55 8.40 8.23 2k8aA6 ASP 65 HA -0.22 0.07 0.54 -0.75 4.63 4.27 2k8aA6 ASP 65 HB2 -0.04 -0.02 0.55 -0.04 2.71 3.15 2k8aA6 ASP 65 HB3 0.03 0.14 0.16 -0.04 2.70 2.99 2k8aA6 TYR 66 H 0.13 0.67 0.18 -0.55 8.29 8.72 2k8aA6 TYR 66 HA 0.09 0.20 0.88 -0.75 4.56 4.98 2k8aA6 TYR 66 HB2 0.22 -0.05 0.12 -0.04 3.06 3.30 2k8aA6 TYR 66 HB3 0.16 0.04 -0.01 -0.04 2.98 3.12 2k8aA6 TYR 66 HD2 0.07 -0.08 -0.05 -0.04 7.15 7.05 2k8aA6 TYR 66 HE2 0.04 -0.05 -0.06 -0.04 6.85 6.74 2k8aA6 VAL 67 H 0.10 0.19 0.01 -0.55 8.24 7.98 2k8aA6 VAL 67 HA -0.04 0.28 0.82 -0.75 4.13 4.44 2k8aA6 VAL 67 HB -0.29 -0.04 -0.46 -0.04 2.12 1.29 2k8aA6 VAL 67 HG13 -0.04 -0.02 -0.14 -0.04 0.97 0.73 2k8aA6 VAL 67 HG23 -0.04 0.02 -0.32 -0.04 0.95 0.57 2k8aA6 PHE 68 H 0.00 0.59 0.22 -0.55 8.34 8.60 2k8aA6 PHE 68 HA -0.11 0.18 0.63 -0.75 4.62 4.56 2k8aA6 PHE 68 HB2 -0.11 0.09 0.03 -0.04 3.15 3.11 2k8aA6 PHE 68 HB3 -0.22 -0.08 0.06 -0.04 3.06 2.77 2k8aA6 PHE 68 HD2 -0.32 -0.02 -0.04 -0.04 7.28 6.87 2k8aA6 PHE 68 HE2 -0.61 -0.02 -0.04 -0.04 7.38 6.67 2k8aA6 PHE 68 HZ -0.55 -0.02 0.00 -0.04 7.32 6.71 2k8aA6 SER 69 H -0.77 0.19 0.12 -0.55 8.46 7.45 2k8aA6 SER 69 HA -0.36 0.25 1.00 -0.75 4.49 4.62 2k8aA6 SER 69 HB2 -0.36 -0.02 0.12 -0.04 3.95 3.65 2k8aA6 SER 69 HB3 -0.23 0.03 -0.01 -0.04 3.93 3.68 2k8aA6 ILE 70 H -0.31 1.06 0.32 -0.55 8.25 8.77 2k8aA6 ILE 70 HA -0.39 0.09 0.64 -0.75 4.18 3.77 2k8aA6 ILE 70 HB 0.08 -0.09 0.11 -0.04 1.89 1.96 2k8aA6 ILE 70 HG12 -0.27 0.04 -0.37 -0.04 1.49 0.85 2k8aA6 ILE 70 HG13 0.11 -0.01 -0.22 -0.04 1.21 1.05 2k8aA6 ILE 70 HG23 0.03 -0.00 -0.24 -0.04 0.93 0.68 2k8aA6 ILE 70 HD13 -0.07 0.01 -0.23 -0.04 0.88 0.55 2k8aA6 ASP 71 H -0.16 0.21 0.17 -0.55 8.40 8.08 2k8aA6 ASP 71 HA -0.12 0.12 0.88 -0.75 4.63 4.76 2k8aA6 ASP 71 HB2 -0.06 -0.01 -0.03 -0.04 2.71 2.57 2k8aA6 ASP 71 HB3 -0.10 0.04 -0.01 -0.04 2.70 2.58 2k8aA6 VAL 72 H -0.09 0.11 0.03 -0.55 8.24 7.75 2k8aA6 VAL 72 HA 0.02 0.14 0.60 -0.75 4.13 4.13 2k8aA6 VAL 72 HB 0.02 0.06 -0.23 -0.04 2.12 1.94 2k8aA6 VAL 72 HG13 -0.07 0.01 -0.06 -0.04 0.97 0.81 2k8aA6 VAL 72 HG23 0.09 0.00 -0.08 -0.04 0.95 0.92 2k8aA6 ASN 73 H -0.12 0.21 0.08 -0.55 8.53 8.16 2k8aA6 ASN 73 HA -0.03 0.21 0.92 -0.75 4.76 5.10 2k8aA6 ASN 73 HB2 -0.04 0.02 -0.03 -0.04 2.88 2.78 2k8aA6 ASN 73 HB3 -0.11 0.06 0.08 -0.04 2.79 2.79 2k8aA6 ASN 73 HD21 -0.02 -0.02 0.05 -0.04 7.03 7.00 2k8aA6 ASN 73 HD22 -0.02 0.05 -0.15 -0.04 7.74 7.58 2k8aA6 GLU 74 H -0.03 0.23 -0.02 -0.55 8.60 8.24 2k8aA6 GLU 74 HA -0.05 0.09 0.74 -0.75 4.29 4.31 2k8aA6 GLU 74 HB2 -0.02 -0.00 0.04 -0.04 2.09 2.06 2k8aA6 GLU 74 HB3 -0.02 0.04 0.07 -0.04 1.99 2.04 2k8aA6 GLU 74 HG2 -0.04 -0.01 0.03 -0.04 2.34 2.29 2k8aA6 GLU 74 HG3 -0.02 0.01 -0.02 -0.04 2.34 2.28 2k8aA6 GLY 75 H -0.04 0.17 0.20 -0.55 8.43 8.21 2k8aA6 GLY 75 HA2 -0.03 0.01 0.34 -0.51 4.01 3.82 2k8aA6 GLY 75 HA3 -0.02 0.17 0.84 -0.51 4.01 4.49 2k8aA6 GLY 76 H -0.06 0.15 -0.01 -0.55 8.43 7.96 2k8aA6 GLY 76 HA2 -0.05 0.14 0.59 -0.51 4.01 4.17 2k8aA6 GLY 76 HA3 -0.06 0.03 0.22 -0.51 4.01 3.68 2k8aA6 PRO 77 HA -0.11 0.01 0.49 -0.51 4.44 4.33 2k8aA6 PRO 77 HB2 -0.17 0.09 -0.02 -0.04 2.28 2.14 2k8aA6 PRO 77 HB3 -0.06 0.02 0.11 -0.04 2.02 2.05 2k8aA6 PRO 77 HG2 -0.17 0.01 0.11 -0.04 2.03 1.95 2k8aA6 PRO 77 HG3 -0.04 0.05 0.09 -0.04 2.03 2.08 2k8aA6 PRO 77 HD2 -0.08 0.08 0.20 -0.04 3.68 3.83 2k8aA6 PRO 77 HD3 -0.05 0.13 0.18 -0.04 3.65 3.87 2k8aA6 SER 78 H -0.14 0.10 0.25 -0.55 8.46 8.13 2k8aA6 SER 78 HA -0.33 0.15 0.92 -0.75 4.49 4.47 2k8aA6 SER 78 HB2 -0.14 0.06 0.06 -0.04 3.95 3.89 2k8aA6 SER 78 HB3 -0.14 -0.00 0.10 -0.04 3.93 3.85 2k8aA6 TYR 79 H -0.17 0.47 0.29 -0.55 8.29 8.33 2k8aA6 TYR 79 HA 0.04 0.20 0.89 -0.75 4.56 4.92 2k8aA6 TYR 79 HB2 0.00 -0.07 0.06 -0.04 3.06 3.01 2k8aA6 TYR 79 HB3 0.48 0.04 -0.03 -0.04 2.98 3.43 2k8aA6 TYR 79 HD2 -0.00 -0.01 -0.10 -0.04 7.15 7.00 2k8aA6 TYR 79 HE2 -0.06 -0.01 -0.08 -0.04 6.85 6.66 2k8aA6 LYS 80 H 0.02 0.23 0.18 -0.55 8.42 8.28 2k8aA6 LYS 80 HA -0.28 0.43 1.10 -0.75 4.32 4.82 2k8aA6 LYS 80 HB2 -0.09 -0.03 0.02 -0.04 1.87 1.73 2k8aA6 LYS 80 HB3 -0.16 -0.02 -0.10 -0.04 1.79 1.46 2k8aA6 LYS 80 HG2 -0.00 -0.01 -0.24 -0.04 1.46 1.17 2k8aA6 LYS 80 HG3 0.00 -0.01 -0.11 -0.04 1.46 1.30 2k8aA6 LYS 80 HD2 -0.17 0.19 0.12 -0.04 1.69 1.79 2k8aA6 LYS 80 HD3 -0.09 -0.03 -0.31 -0.04 1.68 1.20 2k8aA6 LYS 80 HE2 -0.08 0.04 -0.26 -0.04 2.99 2.65 2k8aA6 LYS 80 HE3 -0.11 -0.04 -0.11 -0.04 2.99 2.69 2k8aA6 LEU 81 H -0.34 0.80 0.19 -0.55 8.37 8.47 2k8aA6 LEU 81 HA -0.94 0.25 0.83 -0.75 4.35 3.73 2k8aA6 LEU 81 HB2 -0.33 0.02 -0.09 -0.04 1.64 1.20 2k8aA6 LEU 81 HB3 -0.06 -0.11 0.21 -0.04 1.64 1.64 2k8aA6 LEU 81 HG -0.07 -0.01 -0.09 -0.04 1.64 1.43 2k8aA6 LEU 81 HD13 0.04 -0.03 -0.12 -0.04 0.93 0.79 2k8aA6 LEU 81 HD23 -0.14 0.03 -0.27 -0.04 0.89 0.47 2k8aA6 PRO 82 HA -0.39 -0.05 0.32 -0.51 4.44 3.81 2k8aA6 PRO 82 HB2 -1.54 0.02 0.06 -0.04 2.28 0.78 2k8aA6 PRO 82 HB3 -1.17 0.01 -0.07 -0.04 2.02 0.75 2k8aA6 PRO 82 HG2 -1.48 0.08 -0.00 -0.04 2.03 0.58 2k8aA6 PRO 82 HG3 -1.51 0.01 -0.09 -0.04 2.03 0.41 2k8aA6 PRO 82 HD2 -0.56 0.11 0.16 -0.04 3.68 3.35 2k8aA6 PRO 82 HD3 -0.68 0.36 -0.40 -0.04 3.65 2.90 2k8aA6 TYR 83 H -0.00 0.34 -0.02 -0.55 8.29 8.05 2k8aA6 TYR 83 HA -0.12 0.11 0.89 -0.75 4.56 4.69 2k8aA6 TYR 83 HB2 -0.02 -0.02 0.01 -0.04 3.06 2.98 2k8aA6 TYR 83 HB3 0.07 0.41 0.27 -0.04 2.98 3.69 2k8aA6 TYR 83 HD2 0.07 -0.03 -0.02 -0.04 7.15 7.13 2k8aA6 TYR 83 HE2 0.04 0.16 -0.10 -0.04 6.85 6.91 2k8aA6 ASN 84 H 0.01 0.24 0.14 -0.55 8.53 8.37 2k8aA6 ASN 84 HA -0.08 0.08 1.03 -0.75 4.76 5.03 2k8aA6 ASN 84 HB2 0.30 0.06 0.07 -0.04 2.88 3.27 2k8aA6 ASN 84 HB3 0.10 0.03 0.13 -0.04 2.79 3.01 2k8aA6 ASN 84 HD21 -0.02 -0.01 -0.18 -0.04 7.03 6.77 2k8aA6 ASN 84 HD22 -0.04 0.11 -0.06 -0.04 7.74 7.71 2k8aA6 THR 85 H -0.21 0.17 0.15 -0.55 8.28 7.85 2k8aA6 THR 85 HA -0.61 0.15 0.07 -0.75 4.39 3.24 2k8aA6 THR 85 HB 0.01 0.07 0.09 -0.04 4.32 4.46 2k8aA6 THR 85 HG23 0.09 0.02 0.01 -0.04 1.22 1.31 2k8aA6 SER 86 H -0.10 -0.04 -0.55 -0.55 8.46 7.22 2k8aA6 SER 86 HA 0.02 0.23 0.79 -0.75 4.49 4.77 2k8aA6 SER 86 HB2 -0.02 -0.04 0.00 -0.04 3.95 3.85 2k8aA6 SER 86 HB3 -0.01 -0.02 -0.01 -0.04 3.93 3.85 2k8aA6 ASP 87 H -0.02 0.52 -0.09 -0.55 8.40 8.25 2k8aA6 ASP 87 HA 0.03 0.13 0.84 -0.75 4.63 4.88 2k8aA6 ASP 87 HB2 0.10 0.12 0.18 -0.04 2.71 3.07 2k8aA6 ASP 87 HB3 0.06 -0.04 0.08 -0.04 2.70 2.76 2k8aA6 ASP 88 H -0.05 0.08 0.16 -0.55 8.40 8.04 2k8aA6 ASP 88 HA 0.08 0.26 0.52 -0.75 4.63 4.74 2k8aA6 ASP 88 HB2 -0.46 -0.11 0.11 -0.04 2.71 2.21 2k8aA6 ASP 88 HB3 -0.04 -0.01 0.07 -0.04 2.70 2.68 2k8aA6 PRO 89 HA -0.07 0.14 0.38 -0.51 4.44 4.38 2k8aA6 PRO 89 HB2 0.13 -0.02 0.07 -0.04 2.28 2.41 2k8aA6 PRO 89 HB3 -0.02 0.24 0.20 -0.04 2.02 2.40 2k8aA6 PRO 89 HG2 0.38 -0.11 0.16 -0.04 2.03 2.42 2k8aA6 PRO 89 HG3 0.11 0.15 0.11 -0.04 2.03 2.36 2k8aA6 PRO 89 HD2 0.20 0.08 0.24 -0.04 3.68 4.17 2k8aA6 PRO 89 HD3 0.09 0.29 0.20 -0.04 3.65 4.19 2k8aA6 TRP 90 H 0.49 0.22 0.00 -0.55 7.97 8.14 2k8aA6 TRP 90 HA 0.08 0.09 0.27 -0.75 4.62 4.30 2k8aA6 TRP 90 HB2 0.07 0.05 0.04 -0.04 3.23 3.34 2k8aA6 TRP 90 HB3 0.04 0.05 0.07 -0.04 3.23 3.34 2k8aA6 TRP 90 HD1 0.02 -0.01 0.06 -0.04 7.22 7.25 2k8aA6 TRP 90 HE1 0.01 0.05 0.00 -0.04 10.20 10.23 2k8aA6 TRP 90 HE3 -0.03 -0.01 -0.12 -0.04 7.59 7.39 2k8aA6 TRP 90 HZ2 -0.01 0.03 -0.01 -0.04 7.44 7.41 2k8aA6 TRP 90 HZ3 -0.11 0.02 -0.05 -0.04 7.13 6.96 2k8aA6 TRP 90 HH2 -0.04 0.03 -0.02 -0.04 7.19 7.12 2k8aA6 LEU 91 H -0.64 0.05 -0.66 -0.55 8.37 6.57 2k8aA6 LEU 91 HA -0.39 0.13 0.61 -0.75 4.35 3.95 2k8aA6 LEU 91 HB2 -0.40 0.06 0.13 -0.04 1.64 1.39 2k8aA6 LEU 91 HB3 -0.34 0.04 0.01 -0.04 1.64 1.32 2k8aA6 LEU 91 HG -1.93 -0.08 -0.03 -0.04 1.64 -0.44 2k8aA6 LEU 91 HD13 -0.42 0.00 0.04 -0.04 0.93 0.51 2k8aA6 LEU 91 HD23 -1.11 0.02 -0.04 -0.04 0.89 -0.29 2k8aA6 THR 92 H -0.09 0.72 0.07 -0.55 8.28 8.44 2k8aA6 THR 92 HA 0.02 0.04 0.41 -0.75 4.39 4.10 2k8aA6 THR 92 HB 0.04 0.05 0.12 -0.04 4.32 4.50 2k8aA6 THR 92 HG23 0.09 -0.01 -0.09 -0.04 1.22 1.17 2k8aA6 ALA 93 H 0.06 0.75 -0.10 -0.55 8.40 8.57 2k8aA6 ALA 93 HA 0.13 0.06 0.30 -0.75 4.34 4.08 2k8aA6 ALA 93 HB3 0.13 -0.01 -0.04 -0.04 1.41 1.45 2k8aA6 TYR 94 H 0.20 0.28 -0.43 -0.55 8.29 7.79 2k8aA6 TYR 94 HA 0.06 -0.02 0.43 -0.75 4.56 4.27 2k8aA6 TYR 94 HB2 0.09 0.42 0.30 -0.04 3.06 3.82 2k8aA6 TYR 94 HB3 -0.01 0.06 0.18 -0.04 2.98 3.16 2k8aA6 TYR 94 HD2 0.09 0.01 -0.11 -0.04 7.15 7.10 2k8aA6 TYR 94 HE2 0.06 0.00 -0.01 -0.04 6.85 6.87 2k8aA6 ASN 95 H 0.14 0.67 -0.17 -0.55 8.53 8.62 2k8aA6 ASN 95 HA 0.12 0.01 0.40 -0.75 4.76 4.54 2k8aA6 ASN 95 HB2 0.05 0.03 0.13 -0.04 2.88 3.05 2k8aA6 ASN 95 HB3 0.05 0.18 0.18 -0.04 2.79 3.16 2k8aA6 ASN 95 HD21 0.02 0.04 0.00 -0.04 7.03 7.05 2k8aA6 ASN 95 HD22 0.08 -0.02 -0.03 -0.04 7.74 7.73 2k8aA6 PHE 96 H 0.15 0.47 -0.21 -0.55 8.34 8.20 2k8aA6 PHE 96 HA -0.07 0.07 0.52 -0.75 4.62 4.39 2k8aA6 PHE 96 HB2 -0.12 0.03 0.11 -0.04 3.15 3.14 2k8aA6 PHE 96 HB3 -0.07 0.06 0.11 -0.04 3.06 3.12 2k8aA6 PHE 96 HD2 -0.09 -0.01 -0.02 -0.04 7.28 7.11 2k8aA6 PHE 96 HE2 -0.14 -0.04 -0.08 -0.04 7.38 7.09 2k8aA6 PHE 96 HZ -0.20 -0.08 -0.10 -0.04 7.32 6.90 2k8aA6 LEU 97 H -0.03 0.54 -0.22 -0.55 8.37 8.11 2k8aA6 LEU 97 HA -0.43 -0.03 0.31 -0.75 4.35 3.45 2k8aA6 LEU 97 HB2 -0.11 0.24 0.17 -0.04 1.64 1.91 2k8aA6 LEU 97 HB3 -0.30 0.04 -0.04 -0.04 1.64 1.30 2k8aA6 LEU 97 HG -0.10 -0.04 -0.29 -0.04 1.64 1.17 2k8aA6 LEU 97 HD13 0.01 -0.01 -0.15 -0.04 0.93 0.74 2k8aA6 LEU 97 HD23 -0.04 0.00 -0.17 -0.04 0.89 0.64 2k8aA6 GLN 98 H -0.15 0.77 -0.08 -0.55 8.47 8.45 2k8aA6 GLN 98 HA -0.14 0.06 0.60 -0.75 4.36 4.12 2k8aA6 GLN 98 HB2 -0.00 -0.03 0.05 -0.04 2.15 2.13 2k8aA6 GLN 98 HB3 -0.06 -0.05 0.09 -0.04 2.02 1.97 2k8aA6 GLN 98 HG2 0.07 0.23 0.22 -0.04 2.40 2.88 2k8aA6 GLN 98 HG3 0.02 0.12 0.04 -0.04 2.39 2.53 2k8aA6 GLN 98 HE21 0.05 0.04 -0.06 -0.04 6.97 6.96 2k8aA6 GLN 98 HE22 0.07 -0.05 -0.02 -0.04 7.69 7.65 2k8aA6 LYS 99 H -0.10 0.37 -0.27 -0.55 8.42 7.87 2k8aA6 LYS 99 HA -0.03 0.01 0.36 -0.75 4.32 3.90 2k8aA6 LYS 99 HB2 0.03 0.07 0.17 -0.04 1.87 2.10 2k8aA6 LYS 99 HB3 -0.03 0.03 0.25 -0.04 1.79 2.00 2k8aA6 LYS 99 HG2 0.02 0.00 -0.05 -0.04 1.46 1.40 2k8aA6 LYS 99 HG3 0.08 -0.06 0.02 -0.04 1.46 1.47 2k8aA6 LYS 99 HD2 0.22 -0.04 -0.00 -0.04 1.69 1.83 2k8aA6 LYS 99 HD3 0.12 0.05 -0.08 -0.04 1.68 1.73 2k8aA6 LYS 99 HE2 0.24 -0.03 -0.02 -0.04 2.99 3.15 2k8aA6 LYS 99 HE3 0.10 0.01 -0.08 -0.04 2.99 2.98 2k8aA6 ASN 100 H -0.39 0.54 -0.15 -0.55 8.53 7.98 2k8aA6 ASN 100 HA -0.17 0.16 0.72 -0.75 4.76 4.70 2k8aA6 ASN 100 HB2 -0.73 0.02 0.04 -0.04 2.88 2.17 2k8aA6 ASN 100 HB3 -0.77 -0.05 -0.11 -0.04 2.79 1.82 2k8aA6 ASN 100 HD21 -0.21 0.08 0.21 -0.04 7.03 7.08 2k8aA6 ASN 100 HD22 -0.04 -0.04 0.03 -0.04 7.74 7.65 2k8aA6 ASP 101 H -0.23 0.07 -0.63 -0.55 8.40 7.07 2k8aA6 ASP 101 HA -0.14 0.05 0.40 -0.75 4.63 4.19 2k8aA6 ASP 101 HB2 -0.08 0.03 -0.14 -0.04 2.71 2.47 2k8aA6 ASP 101 HB3 -0.09 0.10 0.25 -0.04 2.70 2.92 2k8aA6 LEU 102 H -0.25 0.70 0.19 -0.55 8.37 8.46 2k8aA6 LEU 102 HA -0.10 0.19 0.76 -0.75 4.35 4.44 2k8aA6 LEU 102 HB2 -0.23 -0.05 0.01 -0.04 1.64 1.32 2k8aA6 LEU 102 HB3 -0.06 -0.12 0.09 -0.04 1.64 1.52 2k8aA6 LEU 102 HG -0.66 -0.05 -0.08 -0.04 1.64 0.81 2k8aA6 LEU 102 HD13 -0.55 0.01 -0.43 -0.04 0.93 -0.09 2k8aA6 LEU 102 HD23 -1.04 0.00 -0.13 -0.04 0.89 -0.32 2k8aA6 ASN 103 H 0.38 0.12 0.13 -0.55 8.53 8.61 2k8aA6 ASN 103 HA 0.01 0.23 0.60 -0.75 4.76 4.85 2k8aA6 ASN 103 HB2 0.09 0.11 0.13 -0.04 2.88 3.17 2k8aA6 ASN 103 HB3 -0.24 -0.08 0.13 -0.04 2.79 2.56 2k8aA6 ASN 103 HD21 -0.06 0.05 0.03 -0.04 7.03 7.01 2k8aA6 ASN 103 HD22 -0.08 0.03 0.02 -0.04 7.74 7.66 2k8aA6 PRO 104 HA -0.03 0.09 0.36 -0.51 4.44 4.34 2k8aA6 PRO 104 HB2 -0.02 0.03 -0.01 -0.04 2.28 2.25 2k8aA6 PRO 104 HB3 -0.01 0.05 0.12 -0.04 2.02 2.14 2k8aA6 PRO 104 HG2 -0.02 0.06 0.09 -0.04 2.03 2.12 2k8aA6 PRO 104 HG3 -0.06 0.12 0.10 -0.04 2.03 2.14 2k8aA6 PRO 104 HD2 -0.04 0.08 0.22 -0.04 3.68 3.89 2k8aA6 PRO 104 HD3 -0.03 0.33 0.31 -0.04 3.65 4.22 2k8aA6 MET 105 H -0.11 0.11 -0.57 -0.55 8.47 7.36 2k8aA6 MET 105 HA -0.08 0.10 0.43 -0.75 4.52 4.21 2k8aA6 MET 105 HB2 -0.17 0.02 0.05 -0.04 2.15 2.01 2k8aA6 MET 105 HB3 -0.46 0.03 -0.04 -0.04 2.03 1.52 2k8aA6 MET 105 HG2 -0.21 -0.01 0.00 -0.04 2.63 2.37 2k8aA6 MET 105 HG3 -0.12 0.01 0.06 -0.04 2.56 2.47 2k8aA6 MET 105 HE3 -0.11 0.00 0.00 -0.04 2.10 1.95 2k8aA6 PHE 106 H 0.00 0.61 -0.35 -0.55 8.34 8.05 2k8aA6 PHE 106 HA 0.04 0.12 0.50 -0.75 4.62 4.52 2k8aA6 PHE 106 HB2 -0.02 0.19 0.06 -0.04 3.15 3.34 2k8aA6 PHE 106 HB3 0.06 -0.05 0.01 -0.04 3.06 3.03 2k8aA6 PHE 106 HD2 0.00 0.03 0.08 -0.04 7.28 7.35 2k8aA6 PHE 106 HE2 0.02 0.01 0.03 -0.04 7.38 7.39 2k8aA6 PHE 106 HZ 0.03 0.05 -0.00 -0.04 7.32 7.36 2k8aA6 LEU 107 H 0.10 0.32 -0.38 -0.55 8.37 7.87 2k8aA6 LEU 107 HA 0.14 0.03 0.08 -0.75 4.35 3.84 2k8aA6 LEU 107 HB2 0.07 0.01 0.07 -0.04 1.64 1.76 2k8aA6 LEU 107 HB3 0.10 0.18 0.15 -0.04 1.64 2.02 2k8aA6 LEU 107 HG 0.20 -0.04 -0.20 -0.04 1.64 1.57 2k8aA6 LEU 107 HD13 0.24 -0.01 -0.04 -0.04 0.93 1.08 2k8aA6 LEU 107 HD23 0.33 0.01 0.02 -0.04 0.89 1.21 2k8aA6 ASP 108 H 0.08 0.24 -0.21 -0.55 8.40 7.96 2k8aA6 ASP 108 HA 0.08 0.03 0.41 -0.75 4.63 4.40 2k8aA6 ASP 108 HB2 0.04 0.02 0.07 -0.04 2.71 2.80 2k8aA6 ASP 108 HB3 0.04 0.07 0.07 -0.04 2.70 2.83 2k8aA6 GLN 109 H 0.10 0.20 -0.28 -0.55 8.47 7.95 2k8aA6 GLN 109 HA 0.09 0.05 0.32 -0.75 4.36 4.07 2k8aA6 GLN 109 HB2 0.13 0.01 0.11 -0.04 2.15 2.36 2k8aA6 GLN 109 HB3 0.21 0.15 0.21 -0.04 2.02 2.55 2k8aA6 GLN 109 HG2 0.22 0.01 -0.33 -0.04 2.40 2.26 2k8aA6 GLN 109 HG3 0.18 -0.01 -0.03 -0.04 2.39 2.49 2k8aA6 GLN 109 HE21 0.26 -0.02 -0.06 -0.04 6.97 7.10 2k8aA6 GLN 109 HE22 0.23 0.04 -0.00 -0.04 7.69 7.92 2k8aA6 VAL 110 H 0.17 0.63 -0.07 -0.55 8.24 8.42 2k8aA6 VAL 110 HA 0.10 0.06 0.37 -0.75 4.13 3.91 2k8aA6 VAL 110 HB 0.12 -0.02 -0.08 -0.04 2.12 2.10 2k8aA6 VAL 110 HG13 0.24 0.01 -0.07 -0.04 0.97 1.11 2k8aA6 VAL 110 HG23 0.18 0.12 -0.08 -0.04 0.95 1.13 2k8aA6 ALA 111 H 0.10 0.56 -0.21 -0.55 8.40 8.29 2k8aA6 ALA 111 HA -0.00 0.01 0.32 -0.75 4.34 3.92 2k8aA6 ALA 111 HB3 0.13 -0.03 -0.07 -0.04 1.41 1.39 2k8aA6 LYS 112 H 0.04 0.74 -0.13 -0.55 8.42 8.51 2k8aA6 LYS 112 HA -0.03 -0.00 0.50 -0.75 4.32 4.03 2k8aA6 LYS 112 HB2 0.02 0.14 0.15 -0.04 1.87 2.15 2k8aA6 LYS 112 HB3 -0.02 -0.01 0.03 -0.04 1.79 1.74 2k8aA6 LYS 112 HG2 0.03 0.03 0.09 -0.04 1.46 1.57 2k8aA6 LYS 112 HG3 0.01 -0.03 -0.00 -0.04 1.46 1.39 2k8aA6 LYS 112 HD2 -0.02 0.04 0.03 -0.04 1.69 1.71 2k8aA6 LYS 112 HD3 -0.01 -0.05 0.04 -0.04 1.68 1.62 2k8aA6 LYS 112 HE2 -0.01 0.01 0.01 -0.04 2.99 2.96 2k8aA6 LYS 112 HE3 0.01 -0.06 -0.01 -0.04 2.99 2.89 2k8aA6 PHE 113 H 0.03 0.45 -0.22 -0.55 8.34 8.04 2k8aA6 PHE 113 HA -0.23 0.06 0.52 -0.75 4.62 4.21 2k8aA6 PHE 113 HB2 -0.42 0.10 0.13 -0.04 3.15 2.92 2k8aA6 PHE 113 HB3 -0.70 0.05 0.06 -0.04 3.06 2.43 2k8aA6 PHE 113 HD2 -0.41 0.02 -0.13 -0.04 7.28 6.71 2k8aA6 PHE 113 HE2 -0.06 0.01 -0.03 -0.04 7.38 7.26 2k8aA6 PHE 113 HZ 0.04 0.00 -0.01 -0.04 7.32 7.31 2k8aA6 ILE 114 H -0.10 0.57 -0.11 -0.55 8.25 8.07 2k8aA6 ILE 114 HA -0.37 0.04 0.42 -0.75 4.18 3.52 2k8aA6 ILE 114 HB -0.22 0.17 0.28 -0.04 1.89 2.08 2k8aA6 ILE 114 HG12 -0.41 -0.03 -0.01 -0.04 1.49 1.00 2k8aA6 ILE 114 HG13 -0.16 0.11 0.05 -0.04 1.21 1.16 2k8aA6 ILE 114 HG23 -1.05 -0.05 -0.23 -0.04 0.93 -0.44 2k8aA6 ILE 114 HD13 -0.06 -0.04 -0.20 -0.04 0.88 0.53 2k8aA6 ILE 115 H -0.16 0.62 -0.12 -0.55 8.25 8.05 2k8aA6 ILE 115 HA -0.10 -0.00 0.43 -0.75 4.18 3.75 2k8aA6 ILE 115 HB -0.08 0.14 0.23 -0.04 1.89 2.15 2k8aA6 ILE 115 HG12 0.00 -0.04 0.09 -0.04 1.49 1.50 2k8aA6 ILE 115 HG13 -0.04 0.07 0.15 -0.04 1.21 1.35 2k8aA6 ILE 115 HG23 -0.04 -0.01 -0.07 -0.04 0.93 0.77 2k8aA6 ILE 115 HD13 0.02 -0.02 -0.02 -0.04 0.88 0.82 2k8aA6 ASP 116 H -0.20 0.59 -0.17 -0.55 8.40 8.07 2k8aA6 ASP 116 HA -0.15 0.00 0.09 -0.75 4.63 3.82 2k8aA6 ASP 116 HB2 -0.25 0.07 0.10 -0.04 2.71 2.59 2k8aA6 ASP 116 HB3 -0.54 0.06 0.05 -0.04 2.70 2.23 2k8aA6 ASN 117 H -0.22 0.33 -0.68 -0.55 8.53 7.41 2k8aA6 ASN 117 HA -0.18 -0.00 0.53 -0.75 4.76 4.35 2k8aA6 ASN 117 HB2 -0.07 -0.01 0.09 -0.04 2.88 2.86 2k8aA6 ASN 117 HB3 -0.02 0.17 0.14 -0.04 2.79 3.05 2k8aA6 ASN 117 HD21 0.11 0.03 -0.24 -0.04 7.03 6.89 2k8aA6 ASN 117 HD22 -0.56 -0.06 -0.09 -0.04 7.74 6.99 2k8aA6 THR 118 H -0.04 0.33 -0.01 -0.55 8.28 8.01 2k8aA6 THR 118 HA -0.01 0.11 0.77 -0.75 4.39 4.51 2k8aA6 THR 118 HB 0.06 -0.07 0.01 -0.04 4.32 4.28 2k8aA6 THR 118 HG23 0.17 -0.00 -0.00 -0.04 1.22 1.35 2k8aA6 LYS 119 H -0.05 0.79 0.19 -0.55 8.42 8.80 2k8aA6 LYS 119 HA -0.02 -0.06 0.50 -0.75 4.32 3.99 2k8aA6 LYS 119 HB2 -0.03 -0.07 0.01 -0.04 1.87 1.73 2k8aA6 LYS 119 HB3 -0.07 0.03 -0.33 -0.04 1.79 1.38 2k8aA6 LYS 119 HG2 -0.03 -0.30 0.09 -0.04 1.46 1.17 2k8aA6 LYS 119 HG3 -0.03 -0.04 -0.01 -0.04 1.46 1.34 2k8aA6 LYS 119 HD2 -0.07 0.16 -0.66 -0.04 1.69 1.07 2k8aA6 LYS 119 HD3 -0.05 0.24 -0.22 -0.04 1.68 1.62 2k8aA6 LYS 119 HE2 -0.06 -0.06 -0.10 -0.04 2.99 2.73 2k8aA6 LYS 119 HE3 -0.09 -0.09 -0.35 -0.04 2.99 2.42 2k8aA6 GLY 120 H -0.03 -0.09 0.07 -0.55 8.43 7.83 2k8aA6 GLY 120 HA2 -0.04 0.06 0.36 -0.51 4.01 3.87 2k8aA6 GLY 120 HA3 -0.03 -0.06 0.03 -0.51 4.01 3.44 2k8aA6 GLN 121 H -0.06 0.08 0.15 -0.55 8.47 8.09 2k8aA6 GLN 121 HA -0.12 0.14 0.22 -0.75 4.36 3.85 2k8aA6 GLN 121 HB2 -0.06 -0.08 0.12 -0.04 2.15 2.09 2k8aA6 GLN 121 HB3 -0.08 -0.05 0.02 -0.04 2.02 1.87 2k8aA6 GLN 121 HG2 -0.08 -0.08 0.05 -0.04 2.40 2.25 2k8aA6 GLN 121 HG3 -0.14 0.19 0.08 -0.04 2.39 2.49 2k8aA6 GLN 121 HE21 -0.12 0.10 0.11 -0.04 6.97 7.02 2k8aA6 GLN 121 HE22 -0.07 -0.04 -0.05 -0.04 7.69 7.49 2k8aA6 MET 122 H -0.11 0.15 0.06 -0.55 8.47 8.03 2k8aA6 MET 122 HA -0.06 -0.01 0.40 -0.75 4.52 4.08 2k8aA6 MET 122 HB2 -0.04 -0.05 -0.06 -0.04 2.15 1.96 2k8aA6 MET 122 HB3 -0.04 0.24 0.25 -0.04 2.03 2.44 2k8aA6 MET 122 HG2 -0.03 0.05 -0.23 -0.04 2.63 2.38 2k8aA6 MET 122 HG3 -0.03 -0.04 -0.01 -0.04 2.56 2.45 2k8aA6 MET 122 HE3 -0.01 -0.01 -0.02 -0.04 2.10 2.01 2k8aA6 LEU 123 H -0.04 0.52 -0.02 -0.55 8.37 8.29 2k8aA6 LEU 123 HA -0.03 0.09 0.63 -0.75 4.35 4.29 2k8aA6 LEU 123 HB2 -0.02 -0.05 0.08 -0.04 1.64 1.60 2k8aA6 LEU 123 HB3 -0.02 -0.04 0.22 -0.04 1.64 1.76 2k8aA6 LEU 123 HG -0.02 0.04 -0.18 -0.04 1.64 1.45 2k8aA6 LEU 123 HD13 -0.02 -0.01 -0.00 -0.04 0.93 0.86 2k8aA6 LEU 123 HD23 -0.01 -0.00 0.01 -0.04 0.89 0.84 2k8aA6 GLY 124 H -0.03 0.15 0.12 -0.55 8.43 8.13 2k8aA6 GLY 124 HA2 -0.03 0.06 0.35 -0.51 4.01 3.88 2k8aA6 GLY 124 HA3 -0.02 0.13 0.56 -0.51 4.01 4.17 2k8aA6 LEU 125 H -0.02 0.09 0.22 -0.55 8.37 8.11 2k8aA6 LEU 125 HA -0.01 0.26 0.85 -0.75 4.35 4.70 2k8aA6 LEU 125 HB2 -0.01 0.00 0.08 -0.04 1.64 1.67 2k8aA6 LEU 125 HB3 -0.01 -0.14 0.17 -0.04 1.64 1.62 2k8aA6 LEU 125 HG -0.02 -0.14 -0.15 -0.04 1.64 1.28 2k8aA6 LEU 125 HD13 -0.01 0.03 -0.01 -0.04 0.93 0.90 2k8aA6 LEU 125 HD23 -0.01 0.08 0.07 -0.04 0.89 0.99 2k8aA6 GLY 126 H -0.00 0.17 0.01 -0.55 8.43 8.06 2k8aA6 GLY 126 HA2 -0.00 0.01 0.46 -0.51 4.01 3.97 2k8aA6 GLY 126 HA3 -0.00 0.10 0.33 -0.51 4.01 3.93 2k8aA6 ASN 127 H 0.00 0.17 0.05 -0.55 8.53 8.21 2k8aA6 ASN 127 HA 0.00 0.28 0.99 -0.75 4.76 5.27 2k8aA6 ASN 127 HB2 0.00 -0.02 -0.01 -0.04 2.88 2.81 2k8aA6 ASN 127 HB3 0.00 -0.01 0.20 -0.04 2.79 2.93 2k8aA6 ASN 127 HD21 0.01 -0.02 0.03 -0.04 7.03 7.01 2k8aA6 ASN 127 HD22 0.00 0.01 -0.01 -0.04 7.74 7.70 2k8aA6 PRO 128 HA 0.00 0.13 0.34 -0.51 4.44 4.40 2k8aA6 PRO 128 HB2 0.00 0.03 0.06 -0.04 2.28 2.33 2k8aA6 PRO 128 HB3 0.00 0.03 0.03 -0.04 2.02 2.04 2k8aA6 PRO 128 HG2 0.00 0.04 0.03 -0.04 2.03 2.06 2k8aA6 PRO 128 HG3 0.00 0.03 -0.07 -0.04 2.03 1.95 2k8aA6 PRO 128 HD2 0.00 0.10 0.14 -0.04 3.68 3.88 2k8aA6 PRO 128 HD3 0.00 0.38 -0.02 -0.04 3.65 3.97