============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 3 rings ring int. center anis. iso. TYR 19 0.840 16.470 33.172 16.552 -99.200 -91.000 HIS 30 0.900 6.262 11.796 10.563 -99.200 -91.000 TYR 100 0.840 6.678 22.118 -12.715 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2z51A1 MET 1 HA 0.00 -0.15 0.34 -0.75 4.52 3.96 2z51A1 MET 1 HB2 0.00 -0.12 0.00 -0.04 2.15 1.99 2z51A1 MET 1 HB3 0.00 -0.02 -0.01 -0.04 2.03 1.97 2z51A1 MET 1 HG2 0.00 0.15 0.05 -0.04 2.63 2.79 2z51A1 MET 1 HG3 0.00 -0.07 0.08 -0.04 2.56 2.53 2z51A1 MET 1 HE3 0.00 0.04 0.02 -0.04 2.10 2.12 2z51A1 VAL 2 H 0.00 0.69 0.37 -0.55 8.24 8.75 2z51A1 VAL 2 HA 0.00 0.12 0.89 -0.75 4.13 4.39 2z51A1 VAL 2 HB -0.00 -0.06 0.10 -0.04 2.12 2.12 2z51A1 VAL 2 HG13 -0.00 -0.00 -0.18 -0.04 0.97 0.75 2z51A1 VAL 2 HG23 0.00 0.03 -0.09 -0.04 0.95 0.84 2z51A1 PRO 3 HA 0.00 0.09 0.50 -0.51 4.44 4.52 2z51A1 PRO 3 HB2 -0.00 0.02 -0.09 -0.04 2.28 2.17 2z51A1 PRO 3 HB3 0.00 0.05 0.06 -0.04 2.02 2.09 2z51A1 PRO 3 HG2 -0.00 -0.06 -0.00 -0.04 2.03 1.93 2z51A1 PRO 3 HG3 -0.00 0.05 0.04 -0.04 2.03 2.07 2z51A1 PRO 3 HD2 -0.00 0.09 0.23 -0.04 3.68 3.96 2z51A1 PRO 3 HD3 -0.00 0.18 0.15 -0.04 3.65 3.94 2z51A1 LEU 4 H 0.00 0.14 0.12 -0.55 8.37 8.08 2z51A1 LEU 4 HA 0.00 0.09 0.45 -0.75 4.35 4.13 2z51A1 LEU 4 HB2 0.00 -0.00 0.03 -0.04 1.64 1.62 2z51A1 LEU 4 HB3 0.00 -0.01 0.16 -0.04 1.64 1.76 2z51A1 LEU 4 HG 0.00 -0.04 -0.17 -0.04 1.64 1.39 2z51A1 LEU 4 HD13 0.00 0.00 -0.13 -0.04 0.93 0.76 2z51A1 LEU 4 HD23 0.00 0.02 -0.14 -0.04 0.89 0.73 2z51A1 THR 5 H -0.00 0.34 0.31 -0.55 8.28 8.38 2z51A1 THR 5 HA -0.00 0.22 0.75 -0.75 4.39 4.60 2z51A1 THR 5 HB -0.00 -0.03 0.11 -0.04 4.32 4.36 2z51A1 THR 5 HG23 -0.00 0.06 -0.30 -0.04 1.22 0.94 2z51A1 GLU 6 H -0.01 0.22 0.15 -0.55 8.60 8.42 2z51A1 GLU 6 HA -0.00 0.11 0.39 -0.75 4.29 4.03 2z51A1 GLU 6 HB2 -0.01 -0.01 0.17 -0.04 2.09 2.20 2z51A1 GLU 6 HB3 -0.01 0.07 0.01 -0.04 1.99 2.02 2z51A1 GLU 6 HG2 -0.01 -0.00 0.00 -0.04 2.34 2.29 2z51A1 GLU 6 HG3 -0.01 -0.00 0.09 -0.04 2.34 2.38 2z51A1 GLU 7 H -0.00 0.11 -0.07 -0.55 8.60 8.09 2z51A1 GLU 7 HA -0.00 0.11 0.29 -0.75 4.29 3.93 2z51A1 GLU 7 HB2 -0.00 0.00 0.08 -0.04 2.09 2.13 2z51A1 GLU 7 HB3 -0.00 0.00 -0.06 -0.04 1.99 1.89 2z51A1 GLU 7 HG2 -0.00 0.03 0.03 -0.04 2.34 2.36 2z51A1 GLU 7 HG3 -0.00 0.00 0.03 -0.04 2.34 2.33 2z51A1 ASN 8 H -0.00 0.04 -0.33 -0.55 8.53 7.69 2z51A1 ASN 8 HA -0.00 0.10 0.51 -0.75 4.76 4.61 2z51A1 ASN 8 HB2 -0.00 -0.04 0.16 -0.04 2.88 2.96 2z51A1 ASN 8 HB3 -0.00 0.10 -0.01 -0.04 2.79 2.83 2z51A1 ASN 8 HD21 -0.00 -0.04 0.02 -0.04 7.03 6.96 2z51A1 ASN 8 HD22 -0.00 0.45 0.05 -0.04 7.74 8.20 2z51A1 VAL 9 H 0.00 0.52 -0.05 -0.55 8.24 8.16 2z51A1 VAL 9 HA 0.00 0.09 0.52 -0.75 4.13 3.99 2z51A1 VAL 9 HB 0.00 0.07 0.14 -0.04 2.12 2.29 2z51A1 VAL 9 HG13 0.01 -0.01 -0.16 -0.04 0.97 0.77 2z51A1 VAL 9 HG23 0.00 0.02 -0.01 -0.04 0.95 0.92 2z51A1 GLU 10 H 0.00 0.56 -0.12 -0.55 8.60 8.50 2z51A1 GLU 10 HA 0.00 -0.02 0.38 -0.75 4.29 3.90 2z51A1 GLU 10 HB2 -0.00 0.09 0.17 -0.04 2.09 2.31 2z51A1 GLU 10 HB3 -0.00 -0.02 0.02 -0.04 1.99 1.95 2z51A1 GLU 10 HG2 0.00 -0.07 0.05 -0.04 2.34 2.29 2z51A1 GLU 10 HG3 0.00 0.07 0.07 -0.04 2.34 2.44 2z51A1 SER 11 H -0.00 0.48 -0.25 -0.55 8.46 8.14 2z51A1 SER 11 HA -0.01 -0.01 0.49 -0.75 4.49 4.21 2z51A1 SER 11 HB2 -0.00 0.10 0.15 -0.04 3.95 4.16 2z51A1 SER 11 HB3 -0.01 -0.03 0.04 -0.04 3.93 3.89 2z51A1 VAL 12 H -0.00 0.55 -0.09 -0.55 8.24 8.15 2z51A1 VAL 12 HA -0.01 0.04 0.51 -0.75 4.13 3.93 2z51A1 VAL 12 HB 0.00 0.03 0.15 -0.04 2.12 2.26 2z51A1 VAL 12 HG13 0.01 -0.00 -0.10 -0.04 0.97 0.83 2z51A1 VAL 12 HG23 0.00 0.05 0.02 -0.04 0.95 0.98 2z51A1 LEU 13 H 0.00 0.59 -0.18 -0.55 8.37 8.24 2z51A1 LEU 13 HA 0.01 -0.01 0.33 -0.75 4.35 3.92 2z51A1 LEU 13 HB2 0.00 0.12 0.11 -0.04 1.64 1.83 2z51A1 LEU 13 HB3 0.01 -0.06 -0.03 -0.04 1.64 1.51 2z51A1 LEU 13 HG 0.01 0.24 -0.02 -0.04 1.64 1.82 2z51A1 LEU 13 HD13 0.01 -0.03 -0.20 -0.04 0.93 0.67 2z51A1 LEU 13 HD23 0.01 -0.02 -0.13 -0.04 0.89 0.72 2z51A1 ASP 14 H -0.01 0.54 -0.16 -0.55 8.40 8.22 2z51A1 ASP 14 HA -0.02 -0.05 0.44 -0.75 4.63 4.24 2z51A1 ASP 14 HB2 -0.02 0.26 0.19 -0.04 2.71 3.10 2z51A1 ASP 14 HB3 -0.02 -0.07 0.04 -0.04 2.70 2.61 2z51A1 GLU 15 H -0.02 0.44 -0.36 -0.55 8.60 8.10 2z51A1 GLU 15 HA -0.07 0.01 0.38 -0.75 4.29 3.85 2z51A1 GLU 15 HB2 -0.03 0.20 0.14 -0.04 2.09 2.37 2z51A1 GLU 15 HB3 -0.05 -0.07 0.07 -0.04 1.99 1.89 2z51A1 GLU 15 HG2 -0.03 -0.08 0.03 -0.04 2.34 2.21 2z51A1 GLU 15 HG3 -0.02 0.22 0.09 -0.04 2.34 2.58 2z51A1 ILE 16 H -0.03 0.38 -0.24 -0.55 8.25 7.82 2z51A1 ILE 16 HA -0.15 0.20 1.06 -0.75 4.18 4.55 2z51A1 ILE 16 HB 0.10 -0.11 0.11 -0.04 1.89 1.94 2z51A1 ILE 16 HG12 0.01 0.16 0.08 -0.04 1.49 1.70 2z51A1 ILE 16 HG13 0.02 0.01 -0.12 -0.04 1.21 1.08 2z51A1 ILE 16 HG23 0.05 0.01 -0.09 -0.04 0.93 0.86 2z51A1 ILE 16 HD13 0.04 -0.02 -0.07 -0.04 0.88 0.79 2z51A1 ARG 17 H -0.04 0.44 -0.14 -0.55 8.46 8.17 2z51A1 ARG 17 HA 0.01 -0.09 0.45 -0.75 4.34 3.95 2z51A1 ARG 17 HB2 -0.03 0.24 0.16 -0.04 1.90 2.23 2z51A1 ARG 17 HB3 -0.01 -0.08 0.02 -0.04 1.80 1.69 2z51A1 ARG 17 HG2 0.00 -0.14 0.06 -0.04 1.67 1.55 2z51A1 ARG 17 HG3 -0.01 0.35 0.03 -0.04 1.67 2.00 2z51A1 ARG 17 HD2 -0.01 0.03 0.05 -0.04 3.22 3.25 2z51A1 ARG 17 HD3 -0.00 -0.06 0.02 -0.04 3.22 3.14 2z51A1 PRO 18 HA -0.02 0.04 0.44 -0.51 4.44 4.38 2z51A1 PRO 18 HB2 -0.25 0.04 0.01 -0.04 2.28 2.04 2z51A1 PRO 18 HB3 -0.07 -0.00 0.07 -0.04 2.02 1.98 2z51A1 PRO 18 HG2 -0.15 0.09 0.05 -0.04 2.03 1.97 2z51A1 PRO 18 HG3 -0.07 -0.01 0.03 -0.04 2.03 1.93 2z51A1 PRO 18 HD2 -0.18 0.27 -0.37 -0.04 3.68 3.36 2z51A1 PRO 18 HD3 -0.08 0.28 0.03 -0.04 3.65 3.84 2z51A1 TYR 19 H -0.10 0.31 -0.28 -0.55 8.29 7.68 2z51A1 TYR 19 HA 0.00 0.06 0.52 -0.75 4.56 4.39 2z51A1 TYR 19 HB2 0.00 0.13 0.15 -0.04 3.06 3.30 2z51A1 TYR 19 HB3 0.00 -0.04 -0.02 -0.04 2.98 2.88 2z51A1 TYR 19 HD2 0.00 -0.00 -0.03 -0.04 7.15 7.08 2z51A1 TYR 19 HE2 0.00 -0.00 -0.01 -0.04 6.85 6.79 2z51A1 LEU 20 H 0.11 0.57 0.04 -0.55 8.37 8.54 2z51A1 LEU 20 HA 0.06 -0.00 0.30 -0.75 4.35 3.96 2z51A1 LEU 20 HB2 0.04 0.04 0.05 -0.04 1.64 1.73 2z51A1 LEU 20 HB3 0.03 -0.08 -0.39 -0.04 1.64 1.16 2z51A1 LEU 20 HG 0.07 0.10 -0.07 -0.04 1.64 1.70 2z51A1 LEU 20 HD13 0.03 -0.03 -0.22 -0.04 0.93 0.67 2z51A1 LEU 20 HD23 0.04 -0.01 -0.12 -0.04 0.89 0.76 2z51A1 MET 21 H 0.04 0.73 -0.10 -0.55 8.47 8.59 2z51A1 MET 21 HA 0.02 0.13 0.55 -0.75 4.52 4.46 2z51A1 MET 21 HB2 0.01 0.11 0.12 -0.04 2.15 2.35 2z51A1 MET 21 HB3 0.01 -0.07 0.08 -0.04 2.03 2.00 2z51A1 MET 21 HG2 0.01 0.02 0.09 -0.04 2.63 2.71 2z51A1 MET 21 HG3 0.01 -0.03 0.14 -0.04 2.56 2.65 2z51A1 MET 21 HE3 0.00 -0.02 -0.01 -0.04 2.10 2.04 2z51A1 SER 22 H 0.06 0.39 -0.28 -0.55 8.46 8.08 2z51A1 SER 22 HA 0.03 -0.00 0.48 -0.75 4.49 4.24 2z51A1 SER 22 HB2 0.09 0.13 0.21 -0.04 3.95 4.34 2z51A1 SER 22 HB3 0.05 -0.09 0.06 -0.04 3.93 3.91 2z51A1 ASP 23 H 0.04 0.40 -0.39 -0.55 8.40 7.90 2z51A1 ASP 23 HA 0.01 0.10 0.65 -0.75 4.63 4.64 2z51A1 ASP 23 HB2 0.03 0.07 0.09 -0.04 2.71 2.85 2z51A1 ASP 23 HB3 0.01 -0.09 0.11 -0.04 2.70 2.69 2z51A1 GLY 24 H 0.02 0.38 -0.36 -0.55 8.43 7.92 2z51A1 GLY 24 HA2 0.01 0.03 0.32 -0.51 4.01 3.86 2z51A1 GLY 24 HA3 0.01 0.06 0.66 -0.51 4.01 4.23 2z51A1 GLY 25 H 0.02 0.74 0.09 -0.55 8.43 8.73 2z51A1 GLY 25 HA2 0.01 0.07 0.95 -0.51 4.01 4.53 2z51A1 GLY 25 HA3 0.01 0.03 0.20 -0.51 4.01 3.75 2z51A1 ASN 26 H 0.01 0.50 0.10 -0.55 8.53 8.60 2z51A1 ASN 26 HA 0.02 0.10 0.22 -0.75 4.76 4.34 2z51A1 ASN 26 HB2 0.01 0.06 -0.29 -0.04 2.88 2.62 2z51A1 ASN 26 HB3 0.01 -0.05 -0.17 -0.04 2.79 2.54 2z51A1 ASN 26 HD21 0.00 0.02 0.02 -0.04 7.03 7.02 2z51A1 ASN 26 HD22 0.01 -0.02 -0.03 -0.04 7.74 7.65 2z51A1 VAL 27 H 0.01 0.34 0.17 -0.55 8.24 8.22 2z51A1 VAL 27 HA 0.01 0.29 0.90 -0.75 4.13 4.57 2z51A1 VAL 27 HB 0.02 0.03 -0.31 -0.04 2.12 1.82 2z51A1 VAL 27 HG13 0.02 -0.01 -0.16 -0.04 0.97 0.77 2z51A1 VAL 27 HG23 0.02 0.01 -0.20 -0.04 0.95 0.73 2z51A1 ALA 28 H 0.02 0.58 0.28 -0.55 8.40 8.74 2z51A1 ALA 28 HA 0.02 0.14 0.82 -0.75 4.34 4.57 2z51A1 ALA 28 HB3 0.03 0.03 -0.02 -0.04 1.41 1.40 2z51A1 LEU 29 H 0.02 0.14 0.08 -0.55 8.37 8.07 2z51A1 LEU 29 HA 0.04 0.07 0.62 -0.75 4.35 4.33 2z51A1 LEU 29 HB2 0.02 -0.00 0.01 -0.04 1.64 1.63 2z51A1 LEU 29 HB3 0.01 -0.01 0.09 -0.04 1.64 1.70 2z51A1 LEU 29 HG 0.00 0.06 -0.51 -0.04 1.64 1.15 2z51A1 LEU 29 HD13 0.02 0.02 -0.12 -0.04 0.93 0.81 2z51A1 LEU 29 HD23 -0.00 -0.02 -0.06 -0.04 0.89 0.77 2z51A1 HIS 30 H 0.13 0.64 0.47 -0.55 8.41 9.11 2z51A1 HIS 30 HA 0.00 0.14 0.86 -0.75 4.63 4.87 2z51A1 HIS 30 HB2 0.00 -0.05 -0.08 -0.04 3.26 3.09 2z51A1 HIS 30 HB3 0.00 0.06 -0.01 -0.04 3.20 3.21 2z51A1 HIS 30 HD2 0.00 -0.03 -0.13 -0.04 6.97 6.77 2z51A1 HIS 30 HE1 0.00 -0.01 -0.04 -0.04 7.75 7.66 2z51A1 GLU 31 H 0.07 0.43 0.33 -0.55 8.60 8.88 2z51A1 GLU 31 HA -0.08 0.08 0.46 -0.75 4.29 4.00 2z51A1 GLU 31 HB2 -0.08 0.04 0.08 -0.04 2.09 2.08 2z51A1 GLU 31 HB3 -0.29 0.12 -0.20 -0.04 1.99 1.59 2z51A1 GLU 31 HG2 0.11 -0.07 -0.09 -0.04 2.34 2.25 2z51A1 GLU 31 HG3 0.02 -0.03 -0.40 -0.04 2.34 1.89 2z51A1 ILE 32 H -0.02 0.18 0.15 -0.55 8.25 8.01 2z51A1 ILE 32 HA 0.01 0.23 0.94 -0.75 4.18 4.60 2z51A1 ILE 32 HB -0.01 -0.05 0.11 -0.04 1.89 1.90 2z51A1 ILE 32 HG12 0.00 0.07 -0.10 -0.04 1.49 1.41 2z51A1 ILE 32 HG13 -0.00 -0.10 -0.21 -0.04 1.21 0.86 2z51A1 ILE 32 HG23 0.00 0.01 -0.23 -0.04 0.93 0.67 2z51A1 ILE 32 HD13 -0.00 0.01 -0.30 -0.04 0.88 0.55 2z51A1 ASP 33 H 0.01 0.86 0.07 -0.55 8.40 8.78 2z51A1 ASP 33 HA 0.00 0.10 0.76 -0.75 4.63 4.73 2z51A1 ASP 33 HB2 0.02 -0.01 -0.16 -0.04 2.71 2.52 2z51A1 ASP 33 HB3 0.02 0.04 0.11 -0.04 2.70 2.83 2z51A1 GLY 34 H 0.00 0.18 0.06 -0.55 8.43 8.12 2z51A1 GLY 34 HA2 0.00 0.05 0.33 -0.51 4.01 3.88 2z51A1 GLY 34 HA3 0.00 0.03 0.53 -0.51 4.01 4.06 2z51A1 ASN 35 H 0.00 0.14 0.22 -0.55 8.53 8.35 2z51A1 ASN 35 HA 0.00 0.18 0.70 -0.75 4.76 4.89 2z51A1 ASN 35 HB2 0.00 -0.04 0.15 -0.04 2.88 2.96 2z51A1 ASN 35 HB3 0.00 0.16 0.34 -0.04 2.79 3.25 2z51A1 ASN 35 HD21 0.00 -0.03 0.01 -0.04 7.03 6.97 2z51A1 ASN 35 HD22 0.00 -0.00 0.05 -0.04 7.74 7.75 2z51A1 VAL 36 H 0.01 0.50 -0.18 -0.55 8.24 8.02 2z51A1 VAL 36 HA 0.01 0.26 0.96 -0.75 4.13 4.61 2z51A1 VAL 36 HB 0.01 0.06 0.14 -0.04 2.12 2.28 2z51A1 VAL 36 HG13 0.02 -0.01 -0.24 -0.04 0.97 0.69 2z51A1 VAL 36 HG23 0.01 -0.03 -0.03 -0.04 0.95 0.86 2z51A1 VAL 37 H 0.01 0.67 0.40 -0.55 8.24 8.77 2z51A1 VAL 37 HA 0.02 0.14 1.00 -0.75 4.13 4.53 2z51A1 VAL 37 HB 0.02 0.01 0.19 -0.04 2.12 2.29 2z51A1 VAL 37 HG13 0.02 -0.01 -0.19 -0.04 0.97 0.75 2z51A1 VAL 37 HG23 0.01 0.01 -0.13 -0.04 0.95 0.80 2z51A1 ARG 38 H 0.04 0.74 0.39 -0.55 8.46 9.08 2z51A1 ARG 38 HA 0.04 0.33 1.00 -0.75 4.34 4.95 2z51A1 ARG 38 HB2 0.14 -0.10 0.18 -0.04 1.90 2.07 2z51A1 ARG 38 HB3 0.09 0.04 -0.00 -0.04 1.80 1.89 2z51A1 ARG 38 HG2 0.04 0.02 -0.22 -0.04 1.67 1.47 2z51A1 ARG 38 HG3 0.05 0.02 -0.19 -0.04 1.67 1.50 2z51A1 ARG 38 HD2 0.10 -0.03 -0.10 -0.04 3.22 3.16 2z51A1 ARG 38 HD3 0.06 0.03 -0.10 -0.04 3.22 3.16 2z51A1 VAL 39 H 0.03 0.72 0.45 -0.55 8.24 8.89 2z51A1 VAL 39 HA 0.06 0.08 1.17 -0.75 4.13 4.68 2z51A1 VAL 39 HB 0.02 0.04 -0.11 -0.04 2.12 2.03 2z51A1 VAL 39 HG13 0.03 -0.01 -0.31 -0.04 0.97 0.63 2z51A1 VAL 39 HG23 0.01 0.01 -0.24 -0.04 0.95 0.70 2z51A1 LYS 40 H 0.03 0.72 0.31 -0.55 8.42 8.93 2z51A1 LYS 40 HA -0.03 0.15 0.98 -0.75 4.32 4.66 2z51A1 LYS 40 HB2 -0.02 0.00 0.02 -0.04 1.87 1.83 2z51A1 LYS 40 HB3 0.01 -0.08 0.12 -0.04 1.79 1.81 2z51A1 LYS 40 HG2 -0.01 0.04 -0.36 -0.04 1.46 1.09 2z51A1 LYS 40 HG3 -0.03 0.09 0.00 -0.04 1.46 1.48 2z51A1 LYS 40 HD2 -0.03 0.02 -0.05 -0.04 1.69 1.59 2z51A1 LYS 40 HD3 0.01 -0.05 -0.07 -0.04 1.68 1.53 2z51A1 LYS 40 HE2 -0.00 0.10 -0.11 -0.04 2.99 2.93 2z51A1 LYS 40 HE3 -0.00 0.01 -0.06 -0.04 2.99 2.90 2z51A1 LEU 41 H -0.01 0.23 0.13 -0.55 8.37 8.18 2z51A1 LEU 41 HA 0.01 0.10 0.82 -0.75 4.35 4.53 2z51A1 LEU 41 HB2 -0.00 0.10 0.16 -0.04 1.64 1.86 2z51A1 LEU 41 HB3 0.00 0.01 0.06 -0.04 1.64 1.67 2z51A1 LEU 41 HG -0.00 -0.03 -0.00 -0.04 1.64 1.56 2z51A1 LEU 41 HD13 0.00 0.01 0.00 -0.04 0.93 0.90 2z51A1 LEU 41 HD23 0.01 -0.01 -0.15 -0.04 0.89 0.69 2z51A1 GLN 42 H 0.01 0.66 0.29 -0.55 8.47 8.88 2z51A1 GLN 42 HA 0.00 0.28 0.78 -0.75 4.36 4.67 2z51A1 GLN 42 HB2 0.01 -0.11 -0.40 -0.04 2.15 1.61 2z51A1 GLN 42 HB3 0.01 -0.09 -0.03 -0.04 2.02 1.87 2z51A1 GLN 42 HG2 0.01 0.06 -0.25 -0.04 2.40 2.18 2z51A1 GLN 42 HG3 0.01 0.08 -0.55 -0.04 2.39 1.89 2z51A1 GLN 42 HE21 0.01 0.06 -0.24 -0.04 6.97 6.76 2z51A1 GLN 42 HE22 0.01 -0.14 -0.37 -0.04 7.69 7.15 2z51A1 GLY 43 H 0.01 0.14 0.03 -0.55 8.43 8.06 2z51A1 GLY 43 HA2 0.01 0.06 0.25 -0.51 4.01 3.82 2z51A1 GLY 43 HA3 0.01 0.08 0.38 -0.51 4.01 3.96 2z51A1 ALA 44 H 0.00 0.22 0.20 -0.55 8.40 8.27 2z51A1 ALA 44 HA 0.00 0.04 0.43 -0.75 4.34 4.06 2z51A1 ALA 44 HB3 -0.00 0.03 0.16 -0.04 1.41 1.56 2z51A1 CYS 45 H 0.00 0.65 0.00 -0.55 8.50 8.61 2z51A1 CYS 45 HA -0.00 0.02 0.29 -0.75 4.58 4.14 2z51A1 CYS 45 HB2 0.01 -0.03 -0.14 -0.04 2.97 2.77 2z51A1 CYS 45 HB3 0.00 -0.05 -0.10 -0.04 2.97 2.79 2z51A1 GLY 46 H 0.00 0.33 -0.51 -0.55 8.43 7.71 2z51A1 GLY 46 HA2 0.00 -0.06 0.21 -0.51 4.01 3.65 2z51A1 GLY 46 HA3 0.00 0.03 -0.27 -0.51 4.01 3.26 2z51A1 SER 47 H 0.00 0.46 -0.57 -0.55 8.46 7.80 2z51A1 SER 47 HA 0.00 0.13 0.64 -0.75 4.49 4.50 2z51A1 SER 47 HB2 0.00 0.08 0.06 -0.04 3.95 4.05 2z51A1 SER 47 HB3 0.00 -0.06 0.16 -0.04 3.93 3.99 2z51A1 CYS 48 H -0.00 0.44 -0.56 -0.55 8.50 7.83 2z51A1 CYS 48 HA -0.01 0.18 0.89 -0.75 4.58 4.89 2z51A1 CYS 48 HB2 -0.01 0.10 -0.05 -0.04 2.97 2.97 2z51A1 CYS 48 HB3 -0.00 0.04 0.19 -0.04 2.97 3.15 2z51A1 PRO 49 HA -0.00 0.07 0.35 -0.51 4.44 4.35 2z51A1 PRO 49 HB2 -0.00 0.02 0.02 -0.04 2.28 2.28 2z51A1 PRO 49 HB3 0.00 0.04 0.10 -0.04 2.02 2.12 2z51A1 PRO 49 HG2 -0.00 0.01 0.08 -0.04 2.03 2.08 2z51A1 PRO 49 HG3 0.00 0.09 0.05 -0.04 2.03 2.13 2z51A1 PRO 49 HD2 -0.01 0.16 0.23 -0.04 3.68 4.02 2z51A1 PRO 49 HD3 -0.00 0.22 -0.14 -0.04 3.65 3.69 2z51A1 SER 50 H -0.01 0.12 -0.40 -0.55 8.46 7.63 2z51A1 SER 50 HA -0.00 0.07 0.22 -0.75 4.49 4.02 2z51A1 SER 50 HB2 -0.01 0.01 0.06 -0.04 3.95 3.98 2z51A1 SER 50 HB3 -0.01 0.00 0.05 -0.04 3.93 3.93 2z51A1 SER 51 H -0.00 0.61 -0.20 -0.55 8.46 8.31 2z51A1 SER 51 HA -0.00 0.11 0.81 -0.75 4.49 4.66 2z51A1 SER 51 HB2 -0.00 0.25 0.12 -0.04 3.95 4.27 2z51A1 SER 51 HB3 -0.00 -0.07 0.09 -0.04 3.93 3.91 2z51A1 THR 52 H -0.00 0.46 -0.15 -0.55 8.28 8.03 2z51A1 THR 52 HA 0.00 0.07 -0.03 -0.75 4.39 3.68 2z51A1 THR 52 HB -0.00 -0.06 0.06 -0.04 4.32 4.28 2z51A1 THR 52 HG23 -0.00 0.05 -0.08 -0.04 1.22 1.15 2z51A1 MET 53 H -0.00 0.21 -0.21 -0.55 8.47 7.92 2z51A1 MET 53 HA 0.00 0.07 0.33 -0.75 4.52 4.17 2z51A1 MET 53 HB2 -0.00 0.00 0.08 -0.04 2.15 2.19 2z51A1 MET 53 HB3 -0.00 0.00 0.06 -0.04 2.03 2.05 2z51A1 MET 53 HG2 -0.00 0.00 -0.28 -0.04 2.63 2.31 2z51A1 MET 53 HG3 0.00 0.00 0.02 -0.04 2.56 2.54 2z51A1 MET 53 HE3 -0.00 0.00 -0.02 -0.04 2.10 2.04 2z51A1 THR 54 H -0.00 0.19 -0.14 -0.55 8.28 7.79 2z51A1 THR 54 HA -0.00 0.06 0.51 -0.75 4.39 4.20 2z51A1 THR 54 HB -0.01 0.00 0.06 -0.04 4.32 4.33 2z51A1 THR 54 HG23 -0.01 0.00 0.03 -0.04 1.22 1.21 2z51A1 MET 55 H 0.00 0.48 -0.20 -0.55 8.47 8.20 2z51A1 MET 55 HA 0.01 0.02 0.41 -0.75 4.52 4.21 2z51A1 MET 55 HB2 0.00 0.11 0.02 -0.04 2.15 2.24 2z51A1 MET 55 HB3 0.00 0.11 0.08 -0.04 2.03 2.18 2z51A1 MET 55 HG2 0.01 -0.04 -0.19 -0.04 2.63 2.37 2z51A1 MET 55 HG3 0.01 -0.04 -0.04 -0.04 2.56 2.46 2z51A1 MET 55 HE3 0.01 0.01 0.03 -0.04 2.10 2.10 2z51A1 LYS 56 H 0.00 0.66 -0.11 -0.55 8.42 8.42 2z51A1 LYS 56 HA 0.01 -0.03 0.25 -0.75 4.32 3.80 2z51A1 LYS 56 HB2 0.00 0.04 0.10 -0.04 1.87 1.98 2z51A1 LYS 56 HB3 0.00 0.10 0.14 -0.04 1.79 1.99 2z51A1 LYS 56 HG2 0.01 -0.08 -0.08 -0.04 1.46 1.27 2z51A1 LYS 56 HG3 0.00 -0.08 -0.02 -0.04 1.46 1.32 2z51A1 LYS 56 HD2 0.00 0.04 -0.27 -0.04 1.69 1.42 2z51A1 LYS 56 HD3 0.01 -0.09 -0.12 -0.04 1.68 1.43 2z51A1 LYS 56 HE2 0.01 0.62 0.27 -0.04 2.99 3.84 2z51A1 LYS 56 HE3 0.00 -0.14 0.10 -0.04 2.99 2.91 2z51A1 MET 57 H 0.00 0.57 -0.17 -0.55 8.47 8.33 2z51A1 MET 57 HA 0.01 0.01 0.41 -0.75 4.52 4.20 2z51A1 MET 57 HB2 0.00 0.07 0.20 -0.04 2.15 2.38 2z51A1 MET 57 HB3 0.00 -0.04 0.04 -0.04 2.03 1.98 2z51A1 MET 57 HG2 0.00 0.15 0.10 -0.04 2.63 2.84 2z51A1 MET 57 HG3 0.00 -0.05 -0.00 -0.04 2.56 2.46 2z51A1 MET 57 HE3 0.00 -0.01 0.04 -0.04 2.10 2.09 2z51A1 GLY 58 H 0.01 0.57 -0.18 -0.55 8.43 8.27 2z51A1 GLY 58 HA2 0.01 0.02 0.43 -0.51 4.01 3.96 2z51A1 GLY 58 HA3 0.01 0.07 0.29 -0.51 4.01 3.87 2z51A1 ILE 59 H 0.02 0.60 -0.09 -0.55 8.25 8.23 2z51A1 ILE 59 HA 0.03 0.01 0.47 -0.75 4.18 3.94 2z51A1 ILE 59 HB 0.02 0.11 0.07 -0.04 1.89 2.04 2z51A1 ILE 59 HG12 0.03 -0.06 -0.07 -0.04 1.49 1.34 2z51A1 ILE 59 HG13 0.03 0.07 0.01 -0.04 1.21 1.27 2z51A1 ILE 59 HG23 0.02 -0.02 -0.22 -0.04 0.93 0.67 2z51A1 ILE 59 HD13 0.02 -0.02 -0.20 -0.04 0.88 0.63 2z51A1 GLU 60 H 0.01 0.71 -0.17 -0.55 8.60 8.60 2z51A1 GLU 60 HA 0.01 -0.05 0.39 -0.75 4.29 3.89 2z51A1 GLU 60 HB2 0.01 0.07 0.14 -0.04 2.09 2.27 2z51A1 GLU 60 HB3 0.01 0.12 0.18 -0.04 1.99 2.25 2z51A1 GLU 60 HG2 0.01 0.05 -0.20 -0.04 2.34 2.15 2z51A1 GLU 60 HG3 0.01 -0.14 0.06 -0.04 2.34 2.23 2z51A1 ARG 61 H 0.01 0.56 -0.13 -0.55 8.46 8.35 2z51A1 ARG 61 HA 0.01 0.03 0.34 -0.75 4.34 3.96 2z51A1 ARG 61 HB2 0.01 0.08 0.16 -0.04 1.90 2.11 2z51A1 ARG 61 HB3 0.01 -0.04 0.00 -0.04 1.80 1.73 2z51A1 ARG 61 HG2 0.01 -0.04 0.02 -0.04 1.67 1.62 2z51A1 ARG 61 HG3 0.01 0.06 0.08 -0.04 1.67 1.78 2z51A1 ARG 61 HD2 0.00 0.02 -0.06 -0.04 3.22 3.14 2z51A1 ARG 61 HD3 0.00 -0.04 -0.01 -0.04 3.22 3.14 2z51A1 ARG 62 H 0.02 0.54 -0.14 -0.55 8.46 8.33 2z51A1 ARG 62 HA 0.03 0.02 0.36 -0.75 4.34 3.99 2z51A1 ARG 62 HB2 0.03 0.04 0.10 -0.04 1.90 2.04 2z51A1 ARG 62 HB3 0.04 -0.03 -0.01 -0.04 1.80 1.76 2z51A1 ARG 62 HG2 0.04 0.11 0.10 -0.04 1.67 1.88 2z51A1 ARG 62 HG3 0.08 -0.06 -0.01 -0.04 1.67 1.64 2z51A1 ARG 62 HD2 0.07 -0.00 -0.00 -0.04 3.22 3.25 2z51A1 ARG 62 HD3 0.05 -0.01 -0.03 -0.04 3.22 3.19 2z51A1 LEU 63 H 0.02 0.59 -0.19 -0.55 8.37 8.24 2z51A1 LEU 63 HA 0.01 -0.00 0.45 -0.75 4.35 4.06 2z51A1 LEU 63 HB2 0.01 0.15 0.13 -0.04 1.64 1.89 2z51A1 LEU 63 HB3 0.01 -0.06 -0.08 -0.04 1.64 1.47 2z51A1 LEU 63 HG 0.02 0.03 -0.05 -0.04 1.64 1.60 2z51A1 LEU 63 HD13 0.01 -0.03 -0.12 -0.04 0.93 0.75 2z51A1 LEU 63 HD23 0.01 -0.01 -0.01 -0.04 0.89 0.84 2z51A1 MET 64 H 0.01 0.63 -0.09 -0.55 8.47 8.47 2z51A1 MET 64 HA 0.01 0.11 0.35 -0.75 4.52 4.23 2z51A1 MET 64 HB2 0.01 0.05 0.09 -0.04 2.15 2.26 2z51A1 MET 64 HB3 0.01 -0.00 -0.03 -0.04 2.03 1.96 2z51A1 MET 64 HG2 0.01 0.02 -0.14 -0.04 2.63 2.47 2z51A1 MET 64 HG3 0.01 0.00 -0.02 -0.04 2.56 2.51 2z51A1 MET 64 HE3 0.01 0.09 -0.09 -0.04 2.10 2.06 2z51A1 GLU 65 H 0.01 0.52 -0.28 -0.55 8.60 8.30 2z51A1 GLU 65 HA 0.01 -0.02 0.29 -0.75 4.29 3.82 2z51A1 GLU 65 HB2 0.01 0.10 0.09 -0.04 2.09 2.26 2z51A1 GLU 65 HB3 0.01 -0.06 -0.03 -0.04 1.99 1.86 2z51A1 GLU 65 HG2 0.01 -0.08 0.02 -0.04 2.34 2.25 2z51A1 GLU 65 HG3 0.01 0.11 0.06 -0.04 2.34 2.48 2z51A1 LYS 66 H 0.01 0.30 -0.37 -0.55 8.42 7.81 2z51A1 LYS 66 HA 0.01 0.24 0.85 -0.75 4.32 4.66 2z51A1 LYS 66 HB2 0.01 0.03 0.10 -0.04 1.87 1.96 2z51A1 LYS 66 HB3 0.00 -0.06 0.10 -0.04 1.79 1.79 2z51A1 LYS 66 HG2 0.01 0.04 -0.06 -0.04 1.46 1.41 2z51A1 LYS 66 HG3 0.01 0.03 -0.03 -0.04 1.46 1.43 2z51A1 LYS 66 HD2 0.00 -0.04 0.01 -0.04 1.69 1.63 2z51A1 LYS 66 HD3 0.00 -0.01 0.01 -0.04 1.68 1.63 2z51A1 LYS 66 HE2 0.01 0.01 -0.02 -0.04 2.99 2.94 2z51A1 LYS 66 HE3 0.01 -0.02 -0.01 -0.04 2.99 2.93 2z51A1 ILE 67 H 0.01 0.39 -0.24 -0.55 8.25 7.85 2z51A1 ILE 67 HA 0.00 0.30 0.89 -0.75 4.18 4.62 2z51A1 ILE 67 HB 0.01 -0.00 0.10 -0.04 1.89 1.95 2z51A1 ILE 67 HG12 0.00 0.11 -0.31 -0.04 1.49 1.25 2z51A1 ILE 67 HG13 0.01 0.08 -0.19 -0.04 1.21 1.06 2z51A1 ILE 67 HG23 0.00 -0.04 -0.16 -0.04 0.93 0.69 2z51A1 ILE 67 HD13 0.00 -0.04 -0.18 -0.04 0.88 0.63 2z51A1 PRO 68 HA 0.00 0.25 0.27 -0.51 4.44 4.45 2z51A1 PRO 68 HB2 0.00 -0.04 0.01 -0.04 2.28 2.22 2z51A1 PRO 68 HB3 0.00 0.08 0.05 -0.04 2.02 2.11 2z51A1 PRO 68 HG2 0.00 -0.08 0.01 -0.04 2.03 1.92 2z51A1 PRO 68 HG3 0.00 0.03 -0.01 -0.04 2.03 2.01 2z51A1 PRO 68 HD2 0.00 0.23 0.21 -0.04 3.68 4.08 2z51A1 PRO 68 HD3 0.00 0.26 -0.19 -0.04 3.65 3.68 2z51A1 GLU 69 H 0.00 0.04 -0.33 -0.55 8.60 7.77 2z51A1 GLU 69 HA 0.00 0.09 0.44 -0.75 4.29 4.07 2z51A1 GLU 69 HB2 0.00 -0.04 0.07 -0.04 2.09 2.08 2z51A1 GLU 69 HB3 0.00 -0.04 -0.02 -0.04 1.99 1.89 2z51A1 GLU 69 HG2 0.00 -0.01 -0.02 -0.04 2.34 2.28 2z51A1 GLU 69 HG3 0.00 0.02 0.06 -0.04 2.34 2.39 2z51A1 ILE 70 H 0.00 0.34 -0.20 -0.55 8.25 7.85 2z51A1 ILE 70 HA 0.01 0.07 0.61 -0.75 4.18 4.11 2z51A1 ILE 70 HB 0.01 0.16 0.05 -0.04 1.89 2.06 2z51A1 ILE 70 HG12 0.01 -0.06 -0.06 -0.04 1.49 1.33 2z51A1 ILE 70 HG13 0.01 -0.06 -0.00 -0.04 1.21 1.11 2z51A1 ILE 70 HG23 0.01 -0.01 -0.21 -0.04 0.93 0.68 2z51A1 ILE 70 HD13 0.01 0.00 -0.14 -0.04 0.88 0.71 2z51A1 VAL 71 H 0.01 0.52 0.39 -0.55 8.24 8.61 2z51A1 VAL 71 HA 0.00 0.22 0.88 -0.75 4.13 4.48 2z51A1 VAL 71 HB 0.00 0.03 0.09 -0.04 2.12 2.20 2z51A1 VAL 71 HG13 0.01 -0.02 -0.17 -0.04 0.97 0.75 2z51A1 VAL 71 HG23 0.00 -0.01 0.06 -0.04 0.95 0.96 2z51A1 ALA 72 H 0.01 0.32 0.26 -0.55 8.40 8.45 2z51A1 ALA 72 HA 0.01 0.13 0.55 -0.75 4.34 4.27 2z51A1 ALA 72 HB3 0.01 0.02 -0.11 -0.04 1.41 1.29 2z51A1 VAL 73 H 0.01 0.25 0.15 -0.55 8.24 8.10 2z51A1 VAL 73 HA 0.01 0.26 0.97 -0.75 4.13 4.62 2z51A1 VAL 73 HB 0.01 -0.03 0.13 -0.04 2.12 2.19 2z51A1 VAL 73 HG13 0.02 -0.00 -0.16 -0.04 0.97 0.78 2z51A1 VAL 73 HG23 0.01 0.00 -0.08 -0.04 0.95 0.84 2z51A1 GLU 74 H 0.02 0.65 0.30 -0.55 8.60 9.02 2z51A1 GLU 74 HA 0.01 0.18 0.98 -0.75 4.29 4.70 2z51A1 GLU 74 HB2 0.02 -0.04 -0.02 -0.04 2.09 2.00 2z51A1 GLU 74 HB3 0.01 0.07 -0.02 -0.04 1.99 2.01 2z51A1 GLU 74 HG2 0.01 -0.09 -0.43 -0.04 2.34 1.79 2z51A1 GLU 74 HG3 0.01 -0.00 -0.12 -0.04 2.34 2.19 2z51A1 ALA 75 H 0.00 0.18 0.15 -0.55 8.40 8.19 2z51A1 ALA 75 HA -0.00 0.21 0.85 -0.75 4.34 4.64 2z51A1 ALA 75 HB3 -0.00 -0.01 0.01 -0.04 1.41 1.37 2z51A1 LEU 76 H -0.04 0.53 0.34 -0.55 8.37 8.65 2z51A1 LEU 76 HA -0.05 0.03 0.30 -0.75 4.35 3.88 2z51A1 LEU 76 HB2 -0.09 -0.03 0.09 -0.04 1.64 1.57 2z51A1 LEU 76 HB3 -0.13 0.07 0.05 -0.04 1.64 1.59 2z51A1 LEU 76 HG -0.10 0.17 -0.13 -0.04 1.64 1.54 2z51A1 LEU 76 HD13 -0.52 -0.01 -0.08 -0.04 0.93 0.27 2z51A1 LEU 76 HD23 -0.12 -0.02 -0.11 -0.04 0.89 0.60 2z51A1 PRO 77 HA -0.01 0.05 0.53 -0.51 4.44 4.49 2z51A1 PRO 77 HB2 -0.01 0.15 0.05 -0.04 2.28 2.42 2z51A1 PRO 77 HB3 -0.01 0.01 0.15 -0.04 2.02 2.13 2z51A1 PRO 77 HG2 -0.02 0.02 0.03 -0.04 2.03 2.01 2z51A1 PRO 77 HG3 -0.01 0.02 0.09 -0.04 2.03 2.08 2z51A1 PRO 77 HD2 -0.04 0.02 0.20 -0.04 3.68 3.82 2z51A1 PRO 77 HD3 -0.02 0.15 0.20 -0.04 3.65 3.94 2z51A1 ASP 78 H -0.01 0.09 0.20 -0.55 8.40 8.13 2z51A1 ASP 78 HA -0.01 0.16 0.56 -0.75 4.63 4.58 2z51A1 ASP 78 HB2 0.00 -0.00 0.08 -0.04 2.71 2.75 2z51A1 ASP 78 HB3 -0.01 0.10 0.10 -0.04 2.70 2.85 2z51A1 GLU 79 H -0.01 0.09 -0.07 -0.55 8.60 8.07 2z51A1 GLU 79 HA -0.00 0.14 0.69 -0.75 4.29 4.36 2z51A1 GLU 79 HB2 0.00 -0.03 -0.11 -0.04 2.09 1.91 2z51A1 GLU 79 HB3 0.00 0.08 0.04 -0.04 1.99 2.07 2z51A1 GLU 79 HG2 0.01 -0.14 -0.64 -0.04 2.34 1.53 2z51A1 GLU 79 HG3 0.01 -0.01 -0.11 -0.04 2.34 2.19 2z51A1 GLU 80 H -0.00 0.11 0.10 -0.55 8.60 8.25 2z51A1 GLU 80 HA -0.00 0.08 0.77 -0.75 4.29 4.39 2z51A1 GLU 80 HB2 -0.00 -0.05 0.15 -0.04 2.09 2.15 2z51A1 GLU 80 HB3 -0.00 0.06 -0.00 -0.04 1.99 2.01 2z51A1 GLU 80 HG2 -0.00 0.03 0.07 -0.04 2.34 2.39 2z51A1 GLU 80 HG3 -0.00 -0.03 0.01 -0.04 2.34 2.28 2z51A1 THR 81 H -0.00 0.15 0.18 -0.55 8.28 8.06 2z51A1 THR 81 HA -0.00 0.24 0.65 -0.75 4.39 4.52 2z51A1 THR 81 HB 0.00 0.00 0.06 -0.04 4.32 4.34 2z51A1 THR 81 HG23 -0.00 -0.00 -0.03 -0.04 1.22 1.14 2z51A1 GLY 82 H 0.00 0.25 0.15 -0.55 8.43 8.28 2z51A1 GLY 82 HA2 0.00 0.01 0.32 -0.51 4.01 3.82 2z51A1 GLY 82 HA3 0.00 0.01 0.51 -0.51 4.01 4.02 2z51A1 LEU 83 H -0.00 0.64 0.01 -0.55 8.37 8.48 2z51A1 LEU 83 HA -0.00 0.04 0.49 -0.75 4.35 4.12 2z51A1 LEU 83 HB2 -0.00 0.05 -0.08 -0.04 1.64 1.57 2z51A1 LEU 83 HB3 -0.00 -0.09 -0.01 -0.04 1.64 1.50 2z51A1 LEU 83 HG -0.00 0.08 -0.22 -0.04 1.64 1.45 2z51A1 LEU 83 HD13 -0.00 -0.03 -0.06 -0.04 0.93 0.79 2z51A1 LEU 83 HD23 -0.00 -0.01 -0.10 -0.04 0.89 0.73 2z51A1 GLU 84 H -0.00 0.07 0.14 -0.55 8.60 8.26 2z51A1 GLU 84 HA -0.00 0.08 0.44 -0.75 4.29 4.05 2z51A1 GLU 84 HB2 -0.00 0.06 0.09 -0.04 2.09 2.21 2z51A1 GLU 84 HB3 -0.00 -0.08 0.03 -0.04 1.99 1.90 2z51A1 GLU 84 HG2 -0.00 0.05 -0.44 -0.04 2.34 1.91 2z51A1 GLU 84 HG3 -0.00 0.01 0.02 -0.04 2.34 2.32 2z51A1 LEU 85 H -0.00 0.15 0.09 -0.55 8.37 8.06 2z51A1 LEU 85 HA -0.00 0.10 0.58 -0.75 4.35 4.27 2z51A1 LEU 85 HB2 -0.00 0.04 0.02 -0.04 1.64 1.66 2z51A1 LEU 85 HB3 -0.00 -0.01 0.17 -0.04 1.64 1.76 2z51A1 LEU 85 HG -0.00 -0.06 -0.17 -0.04 1.64 1.37 2z51A1 LEU 85 HD13 -0.00 0.01 -0.09 -0.04 0.93 0.81 2z51A1 LEU 85 HD23 -0.00 0.01 -0.16 -0.04 0.89 0.70 2z51A1 ASN 86 H -0.00 0.35 0.23 -0.55 8.53 8.56 2z51A1 ASN 86 HA -0.00 0.16 0.37 -0.75 4.76 4.53 2z51A1 ASN 86 HB2 -0.00 -0.07 0.16 -0.04 2.88 2.93 2z51A1 ASN 86 HB3 -0.00 0.20 -0.10 -0.04 2.79 2.84 2z51A1 ASN 86 HD21 -0.00 0.03 -0.06 -0.04 7.03 6.96 2z51A1 ASN 86 HD22 -0.00 0.08 -0.11 -0.04 7.74 7.67 2z51A1 GLU 87 H -0.00 0.23 0.14 -0.55 8.60 8.43 2z51A1 GLU 87 HA -0.01 0.10 0.45 -0.75 4.29 4.08 2z51A1 GLU 87 HB2 -0.00 0.05 0.12 -0.04 2.09 2.21 2z51A1 GLU 87 HB3 -0.00 0.01 0.11 -0.04 1.99 2.06 2z51A1 GLU 87 HG2 -0.01 -0.00 -0.16 -0.04 2.34 2.12 2z51A1 GLU 87 HG3 -0.01 0.00 0.02 -0.04 2.34 2.32 2z51A1 GLU 88 H -0.00 0.11 -0.09 -0.55 8.60 8.06 2z51A1 GLU 88 HA -0.01 0.11 0.38 -0.75 4.29 4.03 2z51A1 GLU 88 HB2 -0.00 0.03 0.09 -0.04 2.09 2.16 2z51A1 GLU 88 HB3 -0.00 -0.03 0.05 -0.04 1.99 1.97 2z51A1 GLU 88 HG2 -0.01 0.03 -0.26 -0.04 2.34 2.06 2z51A1 GLU 88 HG3 -0.01 0.02 0.02 -0.04 2.34 2.33 2z51A1 ASN 89 H -0.00 0.07 -0.27 -0.55 8.53 7.77 2z51A1 ASN 89 HA -0.01 0.11 0.48 -0.75 4.76 4.58 2z51A1 ASN 89 HB2 -0.00 0.04 0.12 -0.04 2.88 2.99 2z51A1 ASN 89 HB3 -0.00 0.07 -0.03 -0.04 2.79 2.78 2z51A1 ASN 89 HD21 -0.00 -0.06 0.02 -0.04 7.03 6.95 2z51A1 ASN 89 HD22 -0.00 0.54 0.06 -0.04 7.74 8.30 2z51A1 ILE 90 H -0.01 0.46 -0.07 -0.55 8.25 8.09 2z51A1 ILE 90 HA -0.01 0.08 0.50 -0.75 4.18 3.99 2z51A1 ILE 90 HB -0.01 0.04 0.14 -0.04 1.89 2.02 2z51A1 ILE 90 HG12 -0.01 0.02 0.01 -0.04 1.49 1.48 2z51A1 ILE 90 HG13 -0.01 0.04 0.08 -0.04 1.21 1.28 2z51A1 ILE 90 HG23 -0.01 -0.01 -0.14 -0.04 0.93 0.73 2z51A1 ILE 90 HD13 -0.00 -0.03 -0.12 -0.04 0.88 0.68 2z51A1 GLU 91 H -0.01 0.55 -0.21 -0.55 8.60 8.38 2z51A1 GLU 91 HA -0.02 -0.02 0.34 -0.75 4.29 3.83 2z51A1 GLU 91 HB2 -0.01 0.04 0.14 -0.04 2.09 2.22 2z51A1 GLU 91 HB3 -0.01 0.11 0.14 -0.04 1.99 2.18 2z51A1 GLU 91 HG2 -0.01 -0.01 0.01 -0.04 2.34 2.30 2z51A1 GLU 91 HG3 -0.02 -0.00 -0.01 -0.04 2.34 2.27 2z51A1 LYS 92 H -0.01 0.40 -0.23 -0.55 8.42 8.02 2z51A1 LYS 92 HA -0.02 0.00 0.39 -0.75 4.32 3.94 2z51A1 LYS 92 HB2 -0.01 0.17 0.17 -0.04 1.87 2.16 2z51A1 LYS 92 HB3 -0.01 -0.01 -0.03 -0.04 1.79 1.70 2z51A1 LYS 92 HG2 -0.01 -0.04 0.04 -0.04 1.46 1.41 2z51A1 LYS 92 HG3 -0.01 0.19 0.09 -0.04 1.46 1.68 2z51A1 LYS 92 HD2 -0.01 -0.03 -0.01 -0.04 1.69 1.60 2z51A1 LYS 92 HD3 -0.01 0.01 -0.01 -0.04 1.68 1.64 2z51A1 LYS 92 HE2 -0.00 0.00 -0.03 -0.04 2.99 2.92 2z51A1 LYS 92 HE3 -0.01 -0.00 -0.03 -0.04 2.99 2.91 2z51A1 VAL 93 H -0.02 0.43 -0.20 -0.55 8.24 7.90 2z51A1 VAL 93 HA -0.03 0.07 0.52 -0.75 4.13 3.93 2z51A1 VAL 93 HB -0.02 0.08 0.15 -0.04 2.12 2.30 2z51A1 VAL 93 HG13 -0.01 -0.02 -0.24 -0.04 0.97 0.65 2z51A1 VAL 93 HG23 -0.01 0.04 0.00 -0.04 0.95 0.94 2z51A1 LEU 94 H -0.03 0.62 -0.02 -0.55 8.37 8.40 2z51A1 LEU 94 HA -0.05 -0.00 0.46 -0.75 4.35 4.01 2z51A1 LEU 94 HB2 -0.03 0.08 0.11 -0.04 1.64 1.75 2z51A1 LEU 94 HB3 -0.03 -0.02 0.01 -0.04 1.64 1.56 2z51A1 LEU 94 HG -0.02 0.23 -0.03 -0.04 1.64 1.78 2z51A1 LEU 94 HD13 -0.02 -0.02 -0.19 -0.04 0.93 0.66 2z51A1 LEU 94 HD23 -0.02 -0.02 -0.11 -0.04 0.89 0.70 2z51A1 GLU 95 H -0.04 0.64 -0.18 -0.55 8.60 8.47 2z51A1 GLU 95 HA -0.06 -0.04 0.40 -0.75 4.29 3.84 2z51A1 GLU 95 HB2 -0.04 0.15 0.20 -0.04 2.09 2.36 2z51A1 GLU 95 HB3 -0.04 -0.03 0.02 -0.04 1.99 1.90 2z51A1 GLU 95 HG2 -0.03 0.03 0.07 -0.04 2.34 2.36 2z51A1 GLU 95 HG3 -0.02 -0.06 0.01 -0.04 2.34 2.23 2z51A1 GLU 96 H -0.08 0.35 -0.38 -0.55 8.60 7.94 2z51A1 GLU 96 HA -0.14 0.02 0.43 -0.75 4.29 3.85 2z51A1 GLU 96 HB2 -0.05 0.02 0.14 -0.04 2.09 2.16 2z51A1 GLU 96 HB3 -0.09 0.16 0.15 -0.04 1.99 2.17 2z51A1 GLU 96 HG2 -0.08 -0.02 -0.15 -0.04 2.34 2.06 2z51A1 GLU 96 HG3 -0.03 -0.03 0.06 -0.04 2.34 2.30 2z51A1 ILE 97 H -0.18 0.33 -0.16 -0.55 8.25 7.69 2z51A1 ILE 97 HA -0.85 0.13 0.66 -0.75 4.18 3.37 2z51A1 ILE 97 HB -0.10 0.03 0.07 -0.04 1.89 1.85 2z51A1 ILE 97 HG12 -0.09 0.17 -0.01 -0.04 1.49 1.53 2z51A1 ILE 97 HG13 -0.02 -0.07 -0.08 -0.04 1.21 1.00 2z51A1 ILE 97 HG23 0.00 -0.03 -0.12 -0.04 0.93 0.75 2z51A1 ILE 97 HD13 0.05 -0.00 -0.12 -0.04 0.88 0.77 2z51A1 ARG 98 H -0.16 0.54 -0.01 -0.55 8.46 8.28 2z51A1 ARG 98 HA -0.06 -0.05 0.29 -0.75 4.34 3.76 2z51A1 ARG 98 HB2 -0.08 0.14 0.14 -0.04 1.90 2.06 2z51A1 ARG 98 HB3 -0.05 -0.05 0.03 -0.04 1.80 1.69 2z51A1 ARG 98 HG2 -0.04 -0.14 0.11 -0.04 1.67 1.57 2z51A1 ARG 98 HG3 -0.06 0.12 0.08 -0.04 1.67 1.77 2z51A1 ARG 98 HD2 -0.04 0.02 -0.11 -0.04 3.22 3.04 2z51A1 ARG 98 HD3 -0.03 -0.04 0.04 -0.04 3.22 3.15 2z51A1 PRO 99 HA 0.01 0.05 0.46 -0.51 4.44 4.44 2z51A1 PRO 99 HB2 0.08 0.04 -0.12 -0.04 2.28 2.25 2z51A1 PRO 99 HB3 0.03 -0.05 0.08 -0.04 2.02 2.04 2z51A1 PRO 99 HG2 -0.09 0.07 0.03 -0.04 2.03 2.00 2z51A1 PRO 99 HG3 -0.05 -0.05 0.04 -0.04 2.03 1.94 2z51A1 PRO 99 HD2 -0.37 0.23 -0.62 -0.04 3.68 2.89 2z51A1 PRO 99 HD3 -0.14 0.16 0.01 -0.04 3.65 3.64 2z51A1 TYR 100 H -0.08 0.63 -0.47 -0.55 8.29 7.82 2z51A1 TYR 100 HA -0.00 0.07 0.56 -0.75 4.56 4.44 2z51A1 TYR 100 HB2 -0.00 0.10 0.03 -0.04 3.06 3.15 2z51A1 TYR 100 HB3 -0.00 -0.11 0.12 -0.04 2.98 2.94 2z51A1 TYR 100 HD2 -0.00 -0.06 -0.17 -0.04 7.15 6.88 2z51A1 TYR 100 HE2 -0.00 -0.06 -0.03 -0.04 6.85 6.72 2z51A1 LEU 101 H 0.06 0.44 -0.36 -0.55 8.37 7.96 2z51A1 LEU 101 HA 0.05 0.05 0.60 -0.75 4.35 4.30 2z51A1 LEU 101 HB2 0.02 0.21 0.22 -0.04 1.64 2.04 2z51A1 LEU 101 HB3 0.02 -0.14 0.11 -0.04 1.64 1.59 2z51A1 LEU 101 HG 0.02 0.10 -0.04 -0.04 1.64 1.68 2z51A1 LEU 101 HD13 0.04 0.02 -0.20 -0.04 0.93 0.75 2z51A1 LEU 101 HD23 0.00 -0.04 -0.22 -0.04 0.89 0.58 2z51A1 ILE 102 H 0.03 0.24 -0.04 -0.55 8.25 7.94 2z51A1 ILE 102 HA 0.02 0.16 0.81 -0.75 4.18 4.42 2z51A1 ILE 102 HB 0.03 0.02 -0.06 -0.04 1.89 1.83 2z51A1 ILE 102 HG12 0.04 -0.01 -0.11 -0.04 1.49 1.37 2z51A1 ILE 102 HG13 0.05 0.03 -1.02 -0.04 1.21 0.23 2z51A1 ILE 102 HG23 0.01 -0.04 -0.17 -0.04 0.93 0.70 2z51A1 ILE 102 HD13 0.05 0.05 -0.07 -0.04 0.88 0.87 2z51A1 GLY 103 H 0.01 0.20 0.14 -0.55 8.43 8.23 2z51A1 GLY 103 HA2 0.01 0.08 0.35 -0.51 4.01 3.94 2z51A1 GLY 103 HA3 0.01 0.05 0.37 -0.51 4.01 3.93 2z51A1 THR 104 H 0.01 0.17 0.23 -0.55 8.28 8.14 2z51A1 THR 104 HA 0.01 0.13 0.55 -0.75 4.39 4.32 2z51A1 THR 104 HB 0.00 0.04 0.17 -0.04 4.32 4.49 2z51A1 THR 104 HG23 0.00 -0.00 0.07 -0.04 1.22 1.25 2z51A1 ALA 105 H 0.01 0.48 -0.42 -0.55 8.40 7.93 2z51A1 ALA 105 HA 0.01 0.22 0.73 -0.75 4.34 4.55 2z51A1 ALA 105 HB3 0.02 -0.00 0.06 -0.04 1.41 1.45 2z51A1 ASP 106 H 0.01 0.42 -0.56 -0.55 8.40 7.72 2z51A1 ASP 106 HA 0.01 0.15 -0.01 -0.75 4.63 4.03 2z51A1 ASP 106 HB2 0.01 -0.02 -0.02 -0.04 2.71 2.64 2z51A1 ASP 106 HB3 0.01 -0.04 -0.05 -0.04 2.70 2.58 2z51A1 GLY 107 H 0.01 0.39 0.22 -0.55 8.43 8.50 2z51A1 GLY 107 HA2 0.00 -0.07 0.35 -0.51 4.01 3.78 2z51A1 GLY 107 HA3 0.00 0.14 0.63 -0.51 4.01 4.28 2z51A1 SER 108 H -0.00 0.48 0.31 -0.55 8.46 8.70 2z51A1 SER 108 HA -0.01 0.21 0.92 -0.75 4.49 4.86 2z51A1 SER 108 HB2 -0.00 -0.11 0.01 -0.04 3.95 3.80 2z51A1 SER 108 HB3 -0.01 0.05 -0.05 -0.04 3.93 3.88 2z51A1 LEU 109 H -0.01 0.28 0.19 -0.55 8.37 8.27 2z51A1 LEU 109 HA -0.01 0.24 0.93 -0.75 4.35 4.75 2z51A1 LEU 109 HB2 -0.02 0.00 0.11 -0.04 1.64 1.69 2z51A1 LEU 109 HB3 -0.02 -0.02 -0.05 -0.04 1.64 1.51 2z51A1 LEU 109 HG -0.02 -0.01 -0.21 -0.04 1.64 1.37 2z51A1 LEU 109 HD13 -0.03 0.02 -0.10 -0.04 0.93 0.78 2z51A1 LEU 109 HD23 -0.00 0.03 -0.13 -0.04 0.89 0.74 2z51A1 ASP 110 H -0.01 0.53 0.26 -0.55 8.40 8.64 2z51A1 ASP 110 HA -0.01 0.15 0.93 -0.75 4.63 4.95 2z51A1 ASP 110 HB2 -0.01 -0.04 0.02 -0.04 2.71 2.65 2z51A1 ASP 110 HB3 -0.01 0.11 -0.08 -0.04 2.70 2.68 2z51A1 LEU 111 H -0.01 0.16 0.11 -0.55 8.37 8.09 2z51A1 LEU 111 HA -0.01 0.09 0.76 -0.75 4.35 4.44 2z51A1 LEU 111 HB2 -0.01 0.00 0.04 -0.04 1.64 1.64 2z51A1 LEU 111 HB3 -0.01 0.01 0.12 -0.04 1.64 1.72 2z51A1 LEU 111 HG -0.00 0.03 -0.40 -0.04 1.64 1.22 2z51A1 LEU 111 HD13 -0.00 0.04 -0.09 -0.04 0.93 0.83 2z51A1 LEU 111 HD23 -0.01 -0.01 -0.07 -0.04 0.89 0.76 2z51A1 VAL 112 H -0.00 0.64 0.44 -0.55 8.24 8.77 2z51A1 VAL 112 HA -0.00 0.15 0.81 -0.75 4.13 4.34 2z51A1 VAL 112 HB -0.00 0.04 -0.06 -0.04 2.12 2.05 2z51A1 VAL 112 HG13 -0.00 -0.00 -0.15 -0.04 0.97 0.77 2z51A1 VAL 112 HG23 -0.00 -0.01 -0.17 -0.04 0.95 0.73 2z51A1 GLU 113 H -0.00 0.43 0.26 -0.55 8.60 8.74 2z51A1 GLU 113 HA -0.00 0.11 0.64 -0.75 4.29 4.28 2z51A1 GLU 113 HB2 -0.00 0.09 -0.28 -0.04 2.09 1.86 2z51A1 GLU 113 HB3 -0.00 -0.07 -0.08 -0.04 1.99 1.80 2z51A1 GLU 113 HG2 -0.00 0.04 -0.45 -0.04 2.34 1.89 2z51A1 GLU 113 HG3 -0.00 0.03 0.01 -0.04 2.34 2.34 2z51A1 ILE 114 H -0.00 0.20 0.12 -0.55 8.25 8.02 2z51A1 ILE 114 HA -0.00 0.22 0.91 -0.75 4.18 4.56 2z51A1 ILE 114 HB -0.00 -0.01 0.15 -0.04 1.89 1.99 2z51A1 ILE 114 HG12 -0.00 0.06 -0.04 -0.04 1.49 1.47 2z51A1 ILE 114 HG13 -0.00 -0.06 -0.15 -0.04 1.21 0.95 2z51A1 ILE 114 HG23 -0.00 -0.01 -0.12 -0.04 0.93 0.76 2z51A1 ILE 114 HD13 -0.00 0.00 -0.21 -0.04 0.88 0.63 2z51A1 GLU 115 H -0.00 0.68 -0.04 -0.55 8.60 8.69 2z51A1 GLU 115 HA -0.00 0.13 0.65 -0.75 4.29 4.31 2z51A1 GLU 115 HB2 -0.00 -0.02 -0.08 -0.04 2.09 1.95 2z51A1 GLU 115 HB3 -0.00 -0.03 0.10 -0.04 1.99 2.02 2z51A1 GLU 115 HG2 -0.00 0.06 -0.04 -0.04 2.34 2.32 2z51A1 GLU 115 HG3 -0.00 0.02 0.05 -0.04 2.34 2.36 2z51A1 ASP 116 H -0.00 0.12 -0.13 -0.55 8.40 7.85 2z51A1 ASP 116 HA -0.00 -0.02 0.29 -0.75 4.63 4.14 2z51A1 ASP 116 HB2 -0.00 -0.02 0.08 -0.04 2.71 2.73 2z51A1 ASP 116 HB3 -0.00 0.02 0.10 -0.04 2.70 2.78 2z51A1 PRO 117 HA -0.00 0.00 0.30 -0.51 4.44 4.23 2z51A1 PRO 117 HB2 -0.00 0.00 0.32 -0.04 2.28 2.56 2z51A1 PRO 117 HB3 -0.00 0.06 0.15 -0.04 2.02 2.19 2z51A1 PRO 117 HG2 -0.00 -0.02 -0.03 -0.04 2.03 1.94 2z51A1 PRO 117 HG3 -0.00 0.05 0.10 -0.04 2.03 2.13 2z51A1 PRO 117 HD2 -0.00 0.09 0.19 -0.04 3.68 3.91 2z51A1 PRO 117 HD3 -0.00 0.11 0.42 -0.04 3.65 4.14 2z51A1 ILE 118 H -0.00 0.72 0.11 -0.55 8.25 8.53 2z51A1 ILE 118 HA -0.00 0.18 0.89 -0.75 4.18 4.50 2z51A1 ILE 118 HB -0.00 0.02 0.05 -0.04 1.89 1.91 2z51A1 ILE 118 HG12 -0.00 -0.01 -0.08 -0.04 1.49 1.36 2z51A1 ILE 118 HG13 -0.00 0.02 -0.03 -0.04 1.21 1.16 2z51A1 ILE 118 HG23 -0.00 -0.02 -0.24 -0.04 0.93 0.63 2z51A1 ILE 118 HD13 -0.00 -0.00 -0.05 -0.04 0.88 0.79 2z51A1 VAL 119 H -0.00 0.71 0.36 -0.55 8.24 8.77 2z51A1 VAL 119 HA -0.00 0.13 0.97 -0.75 4.13 4.48 2z51A1 VAL 119 HB -0.00 0.04 0.21 -0.04 2.12 2.33 2z51A1 VAL 119 HG13 -0.00 -0.02 -0.15 -0.04 0.97 0.76 2z51A1 VAL 119 HG23 -0.00 -0.00 -0.17 -0.04 0.95 0.74 2z51A1 LYS 120 H -0.00 0.70 0.33 -0.55 8.42 8.90 2z51A1 LYS 120 HA -0.00 0.34 0.97 -0.75 4.32 4.88 2z51A1 LYS 120 HB2 -0.00 -0.10 0.17 -0.04 1.87 1.89 2z51A1 LYS 120 HB3 -0.00 0.03 -0.05 -0.04 1.79 1.73 2z51A1 LYS 120 HG2 -0.00 0.04 -0.21 -0.04 1.46 1.24 2z51A1 LYS 120 HG3 -0.00 -0.04 -0.29 -0.04 1.46 1.09 2z51A1 LYS 120 HD2 -0.00 -0.03 -0.13 -0.04 1.69 1.49 2z51A1 LYS 120 HD3 -0.00 0.03 -0.13 -0.04 1.68 1.54 2z51A1 LYS 120 HE2 -0.00 0.02 -0.13 -0.04 2.99 2.83 2z51A1 LYS 120 HE3 -0.00 -0.03 -0.18 -0.04 2.99 2.74 2z51A1 ILE 121 H -0.00 0.71 0.38 -0.55 8.25 8.79 2z51A1 ILE 121 HA -0.00 0.15 1.14 -0.75 4.18 4.71 2z51A1 ILE 121 HB -0.00 0.05 -0.01 -0.04 1.89 1.88 2z51A1 ILE 121 HG12 -0.00 0.07 -0.09 -0.04 1.49 1.43 2z51A1 ILE 121 HG13 -0.00 -0.07 -0.26 -0.04 1.21 0.83 2z51A1 ILE 121 HG23 -0.00 -0.02 -0.29 -0.04 0.93 0.58 2z51A1 ILE 121 HD13 -0.00 0.00 -0.17 -0.04 0.88 0.67 2z51A1 ARG 122 H -0.00 0.69 0.35 -0.55 8.46 8.94 2z51A1 ARG 122 HA -0.00 0.03 1.00 -0.75 4.34 4.61 2z51A1 ARG 122 HB2 -0.00 -0.01 -0.03 -0.04 1.90 1.82 2z51A1 ARG 122 HB3 -0.00 0.02 0.07 -0.04 1.80 1.84 2z51A1 ARG 122 HG2 -0.00 -0.03 -0.37 -0.04 1.67 1.23 2z51A1 ARG 122 HG3 -0.00 0.01 -0.01 -0.04 1.67 1.62 2z51A1 ARG 122 HD2 -0.00 0.00 -0.08 -0.04 3.22 3.10 2z51A1 ARG 122 HD3 -0.00 0.01 -0.09 -0.04 3.22 3.09 2z51A1 ILE 123 H -0.00 0.20 0.14 -0.55 8.25 8.04 2z51A1 ILE 123 HA -0.00 0.41 1.04 -0.75 4.18 4.88 2z51A1 ILE 123 HB 0.00 -0.02 0.09 -0.04 1.89 1.93 2z51A1 ILE 123 HG12 -0.00 0.08 -0.11 -0.04 1.49 1.42 2z51A1 ILE 123 HG13 -0.00 -0.14 -0.32 -0.04 1.21 0.71 2z51A1 ILE 123 HG23 0.00 0.03 -0.27 -0.04 0.93 0.65 2z51A1 ILE 123 HD13 0.00 0.01 -0.15 -0.04 0.88 0.70 2z51A1 THR 124 H -0.00 0.44 0.26 -0.55 8.28 8.43 2z51A1 THR 124 HA 0.00 0.25 0.94 -0.75 4.39 4.82 2z51A1 THR 124 HB -0.00 -0.04 0.11 -0.04 4.32 4.34 2z51A1 THR 124 HG23 -0.00 0.01 -0.21 -0.04 1.22 0.97 2z51A1 GLY 125 H 0.00 0.14 0.15 -0.55 8.43 8.18 2z51A1 GLY 125 HA2 0.00 0.06 0.34 -0.51 4.01 3.90 2z51A1 GLY 125 HA3 0.00 0.15 0.74 -0.51 4.01 4.39 2z51A1 PRO 126 HA 0.00 0.00 0.45 -0.51 4.44 4.38 2z51A1 PRO 126 HB2 0.01 0.08 -0.18 -0.04 2.28 2.15 2z51A1 PRO 126 HB3 0.00 0.06 0.08 -0.04 2.02 2.12 2z51A1 PRO 126 HG2 0.00 0.05 0.03 -0.04 2.03 2.07 2z51A1 PRO 126 HG3 0.00 -0.02 0.07 -0.04 2.03 2.04 2z51A1 PRO 126 HD2 0.00 0.20 0.07 -0.04 3.68 3.91 2z51A1 PRO 126 HD3 0.00 0.02 0.13 -0.04 3.65 3.77 2z51A1 ALA 127 H 0.01 0.59 -0.36 -0.55 8.40 8.09 2z51A1 ALA 127 HA 0.01 -0.01 0.32 -0.75 4.34 3.91 2z51A1 ALA 127 HB3 0.01 0.07 -0.20 -0.04 1.41 1.24 2z51A1 ALA 128 H 0.00 0.54 -0.66 -0.55 8.40 7.74 2z51A1 ALA 128 HA 0.00 -0.01 0.31 -0.75 4.34 3.89 2z51A1 ALA 128 HB3 0.00 -0.00 -0.01 -0.04 1.41 1.36 2z51A1 GLY 129 H 0.00 0.59 -0.34 -0.55 8.43 8.14 2z51A1 GLY 129 HA2 0.00 0.12 0.71 -0.51 4.01 4.34 2z51A1 GLY 129 HA3 0.00 -0.02 0.31 -0.51 4.01 3.79 2z51A1 VAL 130 H 0.01 0.53 -0.30 -0.55 8.24 7.93 2z51A1 VAL 130 HA 0.01 0.09 0.79 -0.75 4.13 4.26 2z51A1 VAL 130 HB 0.01 0.08 0.22 -0.04 2.12 2.39 2z51A1 VAL 130 HG13 0.01 -0.07 -0.03 -0.04 0.97 0.83 2z51A1 VAL 130 HG23 0.01 0.04 -0.10 -0.04 0.95 0.86 2z51A1 MET 131 H 0.01 0.22 0.15 -0.55 8.47 8.30 2z51A1 MET 131 HA 0.01 0.14 0.21 -0.75 4.52 4.11 2z51A1 MET 131 HB2 0.00 0.00 0.09 -0.04 2.15 2.20 2z51A1 MET 131 HB3 0.00 0.01 0.10 -0.04 2.03 2.11 2z51A1 MET 131 HG2 0.00 0.07 0.01 -0.04 2.63 2.67 2z51A1 MET 131 HG3 0.00 0.01 0.03 -0.04 2.56 2.56 2z51A1 MET 131 HE3 0.00 -0.01 -0.34 -0.04 2.10 1.71 2z51A1 THR 132 H 0.01 0.09 -0.29 -0.55 8.28 7.54 2z51A1 THR 132 HA 0.01 0.13 0.60 -0.75 4.39 4.37 2z51A1 THR 132 HB 0.01 0.03 0.03 -0.04 4.32 4.35 2z51A1 THR 132 HG23 0.01 0.00 -0.01 -0.04 1.22 1.18 2z51A1 VAL 133 H 0.01 0.46 -0.17 -0.55 8.24 7.99 2z51A1 VAL 133 HA 0.03 0.07 0.20 -0.75 4.13 3.67 2z51A1 VAL 133 HB 0.01 0.18 0.15 -0.04 2.12 2.42 2z51A1 VAL 133 HG13 0.01 -0.01 -0.17 -0.04 0.97 0.76 2z51A1 VAL 133 HG23 0.02 -0.01 0.03 -0.04 0.95 0.95 2z51A1 ARG 134 H 0.01 0.24 -0.12 -0.55 8.46 8.04 2z51A1 ARG 134 HA 0.01 0.03 0.30 -0.75 4.34 3.92 2z51A1 ARG 134 HB2 0.00 0.03 0.05 -0.04 1.90 1.94 2z51A1 ARG 134 HB3 0.01 0.07 0.02 -0.04 1.80 1.85 2z51A1 ARG 134 HG2 0.00 0.00 -0.27 -0.04 1.67 1.36 2z51A1 ARG 134 HG3 0.00 -0.04 -0.05 -0.04 1.67 1.54 2z51A1 ARG 134 HD2 0.00 0.05 -0.02 -0.04 3.22 3.21 2z51A1 ARG 134 HD3 0.00 -0.02 -0.01 -0.04 3.22 3.15 2z51A1 VAL 135 H 0.01 0.17 -0.47 -0.55 8.24 7.40 2z51A1 VAL 135 HA 0.01 0.04 0.45 -0.75 4.13 3.87 2z51A1 VAL 135 HB 0.01 0.09 0.15 -0.04 2.12 2.33 2z51A1 VAL 135 HG13 0.01 -0.00 -0.08 -0.04 0.97 0.85 2z51A1 VAL 135 HG23 0.01 0.02 0.05 -0.04 0.95 0.98 2z51A1 ALA 136 H 0.02 0.63 -0.01 -0.55 8.40 8.49 2z51A1 ALA 136 HA 0.03 0.00 0.36 -0.75 4.34 3.98 2z51A1 ALA 136 HB3 0.06 0.02 0.07 -0.04 1.41 1.52 2z51A1 VAL 137 H 0.02 0.56 -0.24 -0.55 8.24 8.03 2z51A1 VAL 137 HA 0.01 0.03 0.33 -0.75 4.13 3.75 2z51A1 VAL 137 HB 0.01 0.09 0.09 -0.04 2.12 2.27 2z51A1 VAL 137 HG13 -0.00 -0.03 -0.18 -0.04 0.97 0.72 2z51A1 VAL 137 HG23 0.00 0.03 -0.06 -0.04 0.95 0.88 2z51A1 THR 138 H 0.01 0.60 -0.14 -0.55 8.28 8.21 2z51A1 THR 138 HA 0.00 -0.04 0.31 -0.75 4.39 3.91 2z51A1 THR 138 HB 0.01 0.09 0.18 -0.04 4.32 4.55 2z51A1 THR 138 HG23 0.00 -0.02 -0.07 -0.04 1.22 1.09 2z51A1 GLN 139 H 0.01 0.71 -0.09 -0.55 8.47 8.56 2z51A1 GLN 139 HA 0.01 0.01 0.36 -0.75 4.36 3.98 2z51A1 GLN 139 HB2 0.02 0.13 0.14 -0.04 2.15 2.40 2z51A1 GLN 139 HB3 0.01 -0.05 -0.03 -0.04 2.02 1.92 2z51A1 GLN 139 HG2 0.01 -0.04 0.02 -0.04 2.40 2.35 2z51A1 GLN 139 HG3 0.01 0.13 0.04 -0.04 2.39 2.52 2z51A1 GLN 139 HE21 0.01 -0.04 -0.06 -0.04 6.97 6.84 2z51A1 GLN 139 HE22 0.02 0.05 -0.16 -0.04 7.69 7.56 2z51A1 LYS 140 H 0.02 0.48 -0.25 -0.55 8.42 8.11 2z51A1 LYS 140 HA 0.02 0.03 0.40 -0.75 4.32 4.02 2z51A1 LYS 140 HB2 0.03 0.00 0.09 -0.04 1.87 1.96 2z51A1 LYS 140 HB3 0.01 0.00 0.08 -0.04 1.79 1.84 2z51A1 LYS 140 HG2 0.01 0.03 -0.02 -0.04 1.46 1.44 2z51A1 LYS 140 HG3 0.01 -0.05 -0.09 -0.04 1.46 1.28 2z51A1 LYS 140 HD2 0.03 0.01 -0.00 -0.04 1.69 1.68 2z51A1 LYS 140 HD3 0.02 -0.04 0.05 -0.04 1.68 1.67 2z51A1 LYS 140 HE2 0.04 -0.00 -0.03 -0.04 2.99 2.96 2z51A1 LYS 140 HE3 0.07 0.00 -0.02 -0.04 2.99 3.00 2z51A1 LEU 141 H 0.00 0.64 -0.05 -0.55 8.37 8.42 2z51A1 LEU 141 HA -0.00 -0.03 0.43 -0.75 4.35 3.99 2z51A1 LEU 141 HB2 0.00 0.09 0.12 -0.04 1.64 1.81 2z51A1 LEU 141 HB3 -0.00 -0.06 -0.07 -0.04 1.64 1.47 2z51A1 LEU 141 HG -0.00 0.12 0.03 -0.04 1.64 1.74 2z51A1 LEU 141 HD13 -0.00 -0.03 -0.13 -0.04 0.93 0.72 2z51A1 LEU 141 HD23 -0.01 -0.02 0.01 -0.04 0.89 0.83 2z51A1 ARG 142 H 0.00 0.67 -0.14 -0.55 8.46 8.45 2z51A1 ARG 142 HA 0.00 0.14 0.37 -0.75 4.34 4.10 2z51A1 ARG 142 HB2 0.00 -0.05 0.04 -0.04 1.90 1.85 2z51A1 ARG 142 HB3 0.00 0.10 0.10 -0.04 1.80 1.97 2z51A1 ARG 142 HG2 0.00 -0.07 -0.04 -0.04 1.67 1.52 2z51A1 ARG 142 HG3 0.00 -0.02 -0.21 -0.04 1.67 1.40 2z51A1 ARG 142 HD2 0.00 -0.01 0.10 -0.04 3.22 3.27 2z51A1 ARG 142 HD3 0.00 0.10 0.03 -0.04 3.22 3.32 2z51A1 GLU 143 H 0.01 0.48 -0.25 -0.55 8.60 8.29 2z51A1 GLU 143 HA 0.00 0.00 0.42 -0.75 4.29 3.96 2z51A1 GLU 143 HB2 0.01 0.00 0.14 -0.04 2.09 2.20 2z51A1 GLU 143 HB3 0.01 0.00 0.06 -0.04 1.99 2.01 2z51A1 GLU 143 HG2 0.01 0.00 -0.03 -0.04 2.34 2.28 2z51A1 GLU 143 HG3 0.00 0.00 -0.00 -0.04 2.34 2.30 2z51A1 LYS 144 H 0.00 0.45 -0.21 -0.55 8.42 8.12 2z51A1 LYS 144 HA 0.00 0.04 0.70 -0.75 4.32 4.31 2z51A1 LYS 144 HB2 -0.00 0.07 0.11 -0.04 1.87 2.01 2z51A1 LYS 144 HB3 -0.00 -0.10 0.04 -0.04 1.79 1.69 2z51A1 LYS 144 HG2 0.00 0.08 0.01 -0.04 1.46 1.52 2z51A1 LYS 144 HG3 0.01 0.07 0.04 -0.04 1.46 1.54 2z51A1 LYS 144 HD2 0.00 -0.04 0.00 -0.04 1.69 1.62 2z51A1 LYS 144 HD3 -0.00 -0.05 -0.01 -0.04 1.68 1.58 2z51A1 LYS 144 HE2 -0.00 0.07 0.05 -0.04 2.99 3.07 2z51A1 LYS 144 HE3 0.00 -0.06 0.06 -0.04 2.99 2.95 2z51A1 ILE 145 H 0.00 0.57 -0.27 -0.55 8.25 8.00 2z51A1 ILE 145 HA -0.00 0.23 0.86 -0.75 4.18 4.52 2z51A1 ILE 145 HB -0.00 0.09 0.14 -0.04 1.89 2.07 2z51A1 ILE 145 HG12 -0.00 0.03 -0.32 -0.04 1.49 1.15 2z51A1 ILE 145 HG13 -0.00 -0.02 -0.28 -0.04 1.21 0.87 2z51A1 ILE 145 HG23 -0.00 -0.03 -0.19 -0.04 0.93 0.67 2z51A1 ILE 145 HD13 -0.00 -0.03 -0.21 -0.04 0.88 0.60 2z51A1 PRO 146 HA 0.00 0.32 0.32 -0.51 4.44 4.57 2z51A1 PRO 146 HB2 0.00 -0.01 0.05 -0.04 2.28 2.27 2z51A1 PRO 146 HB3 0.00 0.10 0.09 -0.04 2.02 2.18 2z51A1 PRO 146 HG2 0.00 -0.01 0.02 -0.04 2.03 2.01 2z51A1 PRO 146 HG3 0.00 -0.02 0.06 -0.04 2.03 2.03 2z51A1 PRO 146 HD2 0.00 0.18 0.13 -0.04 3.68 3.95 2z51A1 PRO 146 HD3 0.00 0.13 -0.31 -0.04 3.65 3.43 2z51A1 SER 147 H 0.00 0.06 -0.40 -0.55 8.46 7.57 2z51A1 SER 147 HA 0.00 0.16 0.51 -0.75 4.49 4.40 2z51A1 SER 147 HB2 -0.00 -0.02 0.11 -0.04 3.95 4.00 2z51A1 SER 147 HB3 0.00 -0.00 0.04 -0.04 3.93 3.92 2z51A1 ILE 148 H 0.00 0.48 -0.26 -0.55 8.25 7.92 2z51A1 ILE 148 HA -0.00 0.05 0.63 -0.75 4.18 4.10 2z51A1 ILE 148 HB 0.00 0.13 0.03 -0.04 1.89 2.02 2z51A1 ILE 148 HG12 -0.00 -0.08 -0.07 -0.04 1.49 1.30 2z51A1 ILE 148 HG13 -0.00 -0.03 -0.02 -0.04 1.21 1.11 2z51A1 ILE 148 HG23 -0.00 -0.03 -0.22 -0.04 0.93 0.64 2z51A1 ILE 148 HD13 -0.00 0.01 -0.11 -0.04 0.88 0.74 2z51A1 ALA 149 H 0.00 0.57 0.38 -0.55 8.40 8.80 2z51A1 ALA 149 HA 0.00 0.20 0.74 -0.75 4.34 4.53 2z51A1 ALA 149 HB3 0.00 -0.02 0.05 -0.04 1.41 1.40 2z51A1 ALA 150 H 0.00 0.28 0.17 -0.55 8.40 8.30 2z51A1 ALA 150 HA 0.00 0.12 0.52 -0.75 4.34 4.23 2z51A1 ALA 150 HB3 0.00 0.01 -0.08 -0.04 1.41 1.30 2z51A1 VAL 151 H 0.00 0.26 0.08 -0.55 8.24 8.03 2z51A1 VAL 151 HA -0.00 0.29 1.02 -0.75 4.13 4.69 2z51A1 VAL 151 HB 0.00 -0.01 0.14 -0.04 2.12 2.21 2z51A1 VAL 151 HG13 -0.00 -0.01 -0.14 -0.04 0.97 0.78 2z51A1 VAL 151 HG23 0.00 -0.00 -0.13 -0.04 0.95 0.78 2z51A1 GLN 152 H -0.00 0.65 0.30 -0.55 8.47 8.87 2z51A1 GLN 152 HA 0.00 0.13 0.90 -0.75 4.36 4.64 2z51A1 GLN 152 HB2 -0.00 -0.04 0.03 -0.04 2.15 2.10 2z51A1 GLN 152 HB3 -0.00 0.09 -0.06 -0.04 2.02 2.01 2z51A1 GLN 152 HG2 0.00 0.05 -0.04 -0.04 2.40 2.37 2z51A1 GLN 152 HG3 0.00 -0.09 -0.31 -0.04 2.39 1.95 2z51A1 GLN 152 HE21 0.00 0.01 -0.07 -0.04 6.97 6.87 2z51A1 GLN 152 HE22 0.00 0.01 -0.08 -0.04 7.69 7.58 2z51A1 LEU 153 H 0.00 0.17 0.17 -0.55 8.37 8.16 2z51A1 LEU 153 HA -0.00 0.31 1.01 -0.75 4.35 4.92 2z51A1 LEU 153 HB2 0.00 0.02 0.12 -0.04 1.64 1.73 2z51A1 LEU 153 HB3 0.00 -0.03 0.08 -0.04 1.64 1.65 2z51A1 LEU 153 HG 0.00 0.01 0.01 -0.04 1.64 1.61 2z51A1 LEU 153 HD13 0.00 -0.00 0.02 -0.04 0.93 0.90 2z51A1 LEU 153 HD23 0.00 -0.02 -0.17 -0.04 0.89 0.67 2z51A1 ILE 154 H -0.00 0.50 0.23 -0.55 8.25 8.43 2z51A1 ILE 154 HA -0.00 0.22 0.65 -0.75 4.18 4.29 2z51A1 ILE 154 HB -0.00 0.01 -0.02 -0.04 1.89 1.84 2z51A1 ILE 154 HG12 -0.00 0.03 -0.21 -0.04 1.49 1.26 2z51A1 ILE 154 HG13 -0.00 -0.01 -0.11 -0.04 1.21 1.05 2z51A1 ILE 154 HG23 -0.00 0.00 -0.38 -0.04 0.93 0.51 2z51A1 ILE 154 HD13 -0.00 -0.01 -0.13 -0.04 0.88 0.70