#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p05 h LYS 10 N 0.00 0.51 -0.12 1.97 3.64 -1.96 -1.81 116.57 118.81 2p05 h LYS 10 Ca 0.00 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2p05 h LYS 10 Cb 0.00 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2p05 h LYS 10 CO 0.00 0.34 0.08 1.15 -2.27 0.00 0.00 179.45 178.74 2p05 h THR 11 N 0.52 1.02 0.00 1.00 2.02 -1.96 -0.17 112.91 115.34 2p05 h THR 11 Ca 0.29 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.42 2p05 h THR 11 Cb 0.27 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2p05 h THR 11 CO -0.23 0.02 0.00 0.78 0.37 0.00 0.00 175.52 176.46 2p05 h ASN 12 N 0.13 0.00 0.17 4.18 4.21 -1.78 -2.70 115.58 119.79 2p05 h ASN 12 Ca 0.04 0.00 -0.23 0.00 1.21 0.00 0.00 56.30 57.33 2p05 h ASN 12 Cb 0.02 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.24 2p05 h ASN 12 CO -0.01 0.00 -0.99 -0.50 -1.29 0.00 0.00 177.43 174.64 2p05 h TRP 13 N 0.00 0.68 -0.88 1.19 4.06 -0.58 -2.48 115.95 117.95 2p05 h TRP 13 Ca 0.00 -0.49 0.09 0.00 2.06 0.00 0.00 58.89 60.55 2p05 h TRP 13 Cb 0.99 -0.03 -0.07 0.00 -1.00 0.00 0.00 29.16 29.05 2p05 h TRP 13 CO 0.00 1.37 0.53 -0.07 -3.56 0.00 0.00 178.44 176.71 2p05 h LEU 14 N -0.21 0.79 -0.62 -4.49 3.38 -1.20 0.15 115.31 113.11 2p05 h LEU 14 Ca -0.17 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 2p05 h LEU 14 Cb 1.77 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 2p05 h LEU 14 CO 0.19 0.47 -0.28 0.50 0.09 0.00 0.00 178.44 179.41 2p05 h LYS 15 N 0.91 0.79 0.19 1.13 1.63 -1.55 0.62 116.57 120.29 2p05 h LYS 15 Ca 0.41 -0.35 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 2p05 h LYS 15 Cb 0.30 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 2p05 h LYS 15 CO -0.22 0.97 -0.09 -0.09 -3.45 0.00 0.00 179.45 176.57 2p05 h ARG 16 N 0.68 -0.25 -0.90 1.90 2.43 -0.86 -0.57 114.38 116.80 2p05 h ARG 16 Ca 0.08 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2p05 h ARG 16 Cb 0.81 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.37 2p05 h ARG 16 CO 0.07 0.12 0.60 -0.84 -1.51 0.00 0.00 179.97 178.40 2p05 h ILE 17 N -0.68 1.20 -0.87 1.20 -0.00 -0.73 -1.09 117.51 116.54 2p05 h ILE 17 Ca -0.03 -0.41 0.00 0.00 -0.00 0.00 0.00 64.86 64.43 2p05 h ILE 17 Cb 0.48 -0.09 -0.04 0.00 -0.00 0.00 0.00 36.82 37.17 2p05 h ILE 17 CO 0.04 0.22 0.55 0.22 -0.00 0.00 0.00 178.15 179.18 2p05 h TYR 18 N 1.18 1.12 0.00 0.16 3.20 -0.68 -2.91 116.97 119.05 2p05 h TYR 18 Ca 0.34 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.22 2p05 h TYR 18 Cb -0.07 -0.37 -0.00 0.00 1.54 0.00 0.00 36.73 37.82 2p05 h TYR 18 CO -0.00 0.73 -0.01 0.00 -1.64 0.00 0.00 178.16 177.24 2p05 h ARG 19 N 1.19 0.00 0.00 1.82 3.08 0.11 -3.23 114.38 117.35 2p05 h ARG 19 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 2p05 h ARG 19 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.96 2p05 h ARG 19 CO -0.06 0.01 -0.87 1.33 -1.07 0.00 0.00 179.97 179.31 2p05 n VAL 20 N -3.10 0.09 -3.55 2.04 0.24 -0.66 -4.76 118.33 108.62 2p05 n VAL 20 Ca 0.03 -0.12 -0.41 0.00 -2.04 0.00 0.00 64.34 61.80 2p05 n VAL 20 Cb 0.45 0.38 -0.08 0.00 -1.47 0.00 0.00 33.84 33.12 2p05 n VAL 20 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2p05 s ARG 21 N -3.10 2.48 1.17 7.34 1.70 -1.11 -5.08 118.95 122.36 2p05 s ARG 21 Ca 0.07 -1.77 -0.18 0.00 -0.47 0.00 0.00 55.73 53.38 2p05 s ARG 21 Cb 0.16 -3.93 0.27 0.00 -0.57 0.00 0.00 34.95 30.87 2p05 s ARG 21 CO 0.79 -1.20 1.09 -2.14 -1.08 0.00 0.00 175.30 172.76 2p05 s PRO 22 N 1.36 -0.97 0.28 3.89 0.02 -1.26 -4.32 135.00 134.00 2p05 s PRO 22 Ca 0.06 0.10 -0.30 0.00 0.02 0.00 0.00 61.00 60.88 2p05 s PRO 22 Cb -0.26 -1.61 -0.12 0.00 0.02 0.00 0.00 34.50 32.52 2p05 s PRO 22 CO -0.01 -3.58 1.50 0.00 -0.33 0.00 0.00 177.00 174.58 2p05 h VAL 24 N 3.16 0.95 0.00 0.00 -1.51 -1.83 0.42 116.25 117.44 2p05 h VAL 24 Ca -0.46 -1.03 -0.08 0.00 -1.23 0.00 0.00 66.70 63.90 2p05 h VAL 24 Cb 1.25 1.60 -0.01 0.00 -2.13 0.00 0.00 31.29 31.99 2p05 h VAL 24 CO 0.76 0.27 -0.50 0.50 -1.23 0.00 0.00 177.57 177.37 2p05 h LYS 25 N 0.00 0.00 0.00 5.19 1.63 -1.90 -3.40 116.57 118.09 2p05 h LYS 25 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2p05 h LYS 25 Cb 0.58 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 2p05 h LYS 25 CO 0.04 0.75 -1.08 0.00 -3.45 0.00 0.00 179.45 175.71 2p05 n LYS 27 N -1.57 -0.18 0.00 0.00 5.02 0.14 -4.71 118.16 116.85 2p05 n LYS 27 Ca 0.03 0.05 -0.01 0.00 -2.02 0.00 0.00 58.31 56.35 2p05 n LYS 27 Cb 0.35 -3.99 -0.00 0.00 -0.02 0.00 0.00 35.03 31.37 2p05 n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2p05 n VAL 28 N -2.04 0.59 -1.85 -0.18 0.31 -1.26 -4.77 118.33 109.14 2p05 n VAL 28 Ca 0.00 0.24 -0.35 0.00 -0.01 0.00 0.00 64.34 64.22 2p05 n VAL 28 Cb 0.05 -1.47 0.05 0.00 -0.91 0.00 0.00 33.84 31.55 2p05 n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2p05 s ALA 29 N -2.33 2.43 0.85 3.52 0.00 -1.26 -4.67 121.76 120.30 2p05 s ALA 29 Ca -0.04 0.91 -0.11 0.00 0.00 0.00 0.00 51.96 52.72 2p05 s ALA 29 Cb 0.01 -3.44 0.10 0.00 0.00 0.00 0.00 23.12 19.79 2p05 s ALA 29 CO 0.07 -1.34 1.09 -1.25 0.00 0.00 0.00 175.76 174.33 2p05 s PRO 30 N -3.57 1.65 0.76 0.00 0.04 -1.26 -0.16 135.00 132.46 2p05 s PRO 30 Ca 0.75 0.91 -0.11 0.00 0.04 0.00 0.00 61.00 62.59 2p05 s PRO 30 Cb -0.29 -1.85 0.05 0.00 0.04 0.00 0.00 34.50 32.45 2p05 s PRO 30 CO 0.37 -1.99 1.09 1.03 0.04 0.00 0.00 177.00 177.54 2p05 s ARG 31 N -4.94 2.41 0.56 4.56 0.52 -1.26 -4.08 118.95 116.71 2p05 s ARG 31 Ca 0.62 0.60 -0.03 0.00 -0.52 0.00 0.00 55.73 56.41 2p05 s ARG 31 Cb -0.17 -1.96 0.02 0.00 0.52 0.00 0.00 34.95 33.36 2p05 s ARG 31 CO 0.56 -1.39 0.83 1.21 0.02 0.00 0.00 175.30 176.54 2p05 s ASN 32 N -4.05 5.49 0.18 0.23 2.47 -0.95 -4.79 114.94 113.52 2p05 s ASN 32 Ca 0.60 0.43 -0.19 0.00 0.42 0.00 0.00 52.86 54.12 2p05 s ASN 32 Cb -0.13 -1.43 0.04 0.00 -1.45 0.00 0.00 41.25 38.28 2p05 s ASN 32 CO 0.53 -1.06 0.53 -1.66 -3.72 0.00 0.00 177.10 171.73 2p05 s TRP 33 N -2.87 -0.26 -0.03 0.43 1.48 -1.26 -1.44 118.94 114.99 2p05 s TRP 33 Ca 0.54 -0.05 -0.10 0.00 -1.06 0.00 0.00 56.10 55.42 2p05 s TRP 33 Cb -0.10 0.43 0.02 0.00 -1.16 0.00 0.00 33.47 32.66 2p05 s TRP 33 CO 0.42 -0.88 0.23 -1.59 -4.06 0.00 0.00 176.95 171.07 2p05 s LYS 34 N -3.83 0.50 -0.60 3.25 -2.85 -0.91 -4.98 119.74 110.32 2p05 s LYS 34 Ca 0.06 -0.12 -0.18 0.00 -1.00 0.00 0.00 55.97 54.73 2p05 s LYS 34 Cb -0.01 0.22 0.12 0.00 -2.06 0.00 0.00 37.83 36.10 2p05 s LYS 34 CO -0.07 -0.12 0.67 0.08 0.10 0.00 0.00 175.35 176.01 2p05 s VAL 35 N -0.94 4.96 -0.29 1.79 1.01 -1.26 -2.24 120.40 123.43 2p05 s VAL 35 Ca -0.10 -1.22 -0.18 0.00 0.00 0.00 0.00 61.98 60.48 2p05 s VAL 35 Cb -0.05 -4.46 -0.02 0.00 0.00 0.00 0.00 36.38 31.85 2p05 s VAL 35 CO 0.02 -1.07 0.50 -0.75 0.00 0.00 0.00 175.10 173.80 2p05 s LYS 36 N 2.28 3.91 6.21 2.72 2.20 -0.89 -4.92 119.74 131.26 2p05 s LYS 36 Ca 0.10 0.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.85 2p05 s LYS 36 Cb -0.24 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.37 2p05 s LYS 36 CO 0.04 -0.45 0.00 -1.71 -0.36 0.00 0.00 175.35 172.88 2p05 n ASN 37 N 5.60 0.00 -0.98 1.43 2.85 -1.26 -0.16 115.26 122.75 2p05 n ASN 37 Ca -0.05 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 54.47 2p05 n ASN 37 Cb 0.50 0.00 0.07 0.00 1.24 0.00 0.00 39.78 41.59 2p05 n ASN 37 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2p05 n LYS 38 N 1.37 0.50 -4.63 1.20 5.02 -1.26 -5.05 118.16 115.30 2p05 n LYS 38 Ca 0.00 -2.19 -0.30 0.00 -2.02 0.00 0.00 58.31 53.81 2p05 n LYS 38 Cb 0.00 -0.61 -0.13 0.00 -0.02 0.00 0.00 35.03 34.26 2p05 n LYS 38 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2p05 s HIS 39 N -1.04 2.37 -0.22 2.13 3.76 0.78 -2.54 115.29 120.53 2p05 s HIS 39 Ca 0.29 -0.37 -0.06 0.00 -0.15 0.00 0.00 55.06 54.77 2p05 s HIS 39 Cb 0.30 -1.35 -0.03 0.00 1.11 0.00 0.00 32.58 32.62 2p05 s HIS 39 CO -0.10 0.25 0.03 -1.17 -0.85 0.00 0.00 174.74 172.90 2p05 s LEU 40 N -1.65 3.36 -0.29 0.89 2.96 0.39 -2.09 118.68 122.26 2p05 s LEU 40 Ca 0.14 -0.19 -0.12 0.00 -0.22 0.00 0.00 54.13 53.73 2p05 s LEU 40 Cb -0.10 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 2p05 s LEU 40 CO 0.05 0.02 0.25 -0.60 -1.32 0.00 0.00 176.35 174.75 2p05 s ARG 41 N 1.25 3.88 -0.33 1.98 3.52 -0.95 0.41 118.95 128.70 2p05 s ARG 41 Ca 0.04 -0.29 -0.11 0.00 -0.13 0.00 0.00 55.73 55.24 2p05 s ARG 41 Cb -0.15 -3.69 -0.00 0.00 -1.56 0.00 0.00 34.95 29.55 2p05 s ARG 41 CO 0.02 -0.26 0.19 0.42 -0.81 0.00 0.00 175.30 174.86 2p05 s ILE 42 N 1.85 4.84 0.74 4.11 1.01 0.06 -2.13 121.20 131.67 2p05 s ILE 42 Ca 0.09 -0.43 -0.11 0.00 0.00 0.00 0.00 60.65 60.20 2p05 s ILE 42 Cb -0.16 -3.51 0.03 0.00 0.01 0.00 0.00 42.46 38.83 2p05 s ILE 42 CO 0.11 -0.02 1.08 -0.31 0.00 0.00 0.00 174.94 175.80 2p05 s TYR 43 N 1.64 3.06 0.32 3.97 1.51 -0.52 -1.19 117.35 126.14 2p05 s TYR 43 Ca 0.05 1.25 0.15 0.00 -1.01 0.00 0.00 57.07 57.50 2p05 s TYR 43 Cb -0.18 -3.00 0.71 0.00 -0.11 0.00 0.00 41.96 39.39 2p05 s TYR 43 CO 0.08 -1.42 1.79 -0.91 -1.11 0.00 0.00 175.55 173.98 2p05 h ASN 44 N -0.84 0.00 -3.92 2.29 2.35 -1.68 -3.38 115.58 110.39 2p05 h ASN 44 Ca -0.45 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 54.82 2p05 h ASN 44 Cb 1.24 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 39.42 2p05 h ASN 44 CO 0.59 0.39 -0.78 -0.04 -1.65 0.00 0.00 177.43 175.95 2p05 s MET 45 N -3.99 1.11 1.16 0.81 -1.94 -1.26 -2.46 119.30 112.73 2p05 s MET 45 Ca -0.02 -1.27 -0.17 0.00 -1.71 0.00 0.00 55.69 52.52 2p05 s MET 45 Cb 0.13 -1.13 0.18 0.00 2.01 0.00 0.00 34.83 36.02 2p05 s MET 45 CO 0.71 0.23 0.31 0.00 -0.01 0.00 0.00 175.02 176.27 2p05 h LYS 47 N -2.39 0.11 0.08 0.00 1.63 -1.91 -2.79 116.57 111.30 2p05 h LYS 47 Ca -0.53 -0.06 -0.27 0.00 -0.85 0.00 0.00 60.65 58.93 2p05 h LYS 47 Cb 1.31 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.96 2p05 h LYS 47 CO 0.39 0.60 -1.14 1.79 -3.45 0.00 0.00 179.45 177.64 2p05 h THR 48 N 0.09 1.36 0.00 1.00 1.35 -1.98 -2.10 112.91 112.63 2p05 h THR 48 Ca 0.00 -2.55 -0.12 0.00 -0.55 0.00 0.00 66.41 63.19 2p05 h THR 48 Cb 0.93 2.63 -0.02 0.00 -1.73 0.00 0.00 68.15 69.96 2p05 h THR 48 CO 0.07 0.76 -0.58 0.00 -0.25 0.00 0.00 175.52 175.53 2p05 h PHE 50 N 0.00 -0.25 -0.89 0.00 3.57 -1.31 -0.89 116.94 117.17 2p05 h PHE 50 Ca -0.01 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.67 2p05 h PHE 50 Cb 1.04 0.08 -0.11 0.00 2.79 0.00 0.00 35.95 39.76 2p05 h PHE 50 CO 0.00 0.13 0.45 -0.91 -2.23 0.00 0.00 178.31 175.74 2p05 h ASN 51 N -0.71 0.49 -0.66 0.41 2.35 -1.41 -0.84 115.58 115.22 2p05 h ASN 51 Ca -0.03 0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 2p05 h ASN 51 Cb 0.49 0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.87 2p05 h ASN 51 CO 0.05 0.14 0.43 -1.13 -1.65 0.00 0.00 177.43 175.27 2p05 h ASN 52 N 0.56 0.74 -0.69 5.81 -0.00 -1.31 -2.02 115.58 118.68 2p05 h ASN 52 Ca 0.52 -0.02 0.08 0.00 -0.00 0.00 0.00 56.30 56.88 2p05 h ASN 52 Cb 0.85 -0.18 -0.04 0.00 -0.00 0.00 0.00 38.32 38.95 2p05 h ASN 52 CO -0.43 0.53 0.45 0.77 -0.00 0.00 0.00 177.43 178.76 2p05 h SER 53 N 0.88 0.57 -0.20 1.15 4.64 0.24 -0.40 113.55 120.43 2p05 h SER 53 Ca 0.25 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.47 2p05 h SER 53 Cb -0.08 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 61.90 2p05 h SER 53 CO -0.06 0.36 -0.29 0.40 -0.87 0.00 0.00 176.83 176.37 2p05 h ILE 54 N 0.64 1.33 -0.39 0.95 2.04 -0.69 -2.19 117.51 119.20 2p05 h ILE 54 Ca 0.30 -1.49 -0.06 0.00 1.00 0.00 0.00 64.86 64.61 2p05 h ILE 54 Cb 0.36 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 2p05 h ILE 54 CO -0.10 0.46 -0.02 0.44 0.00 0.00 0.00 178.15 178.93 2p05 h ASP 55 N 0.22 0.60 0.56 1.72 3.32 -0.63 -3.14 116.42 119.07 2p05 h ASP 55 Ca 0.02 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.94 2p05 h ASP 55 Cb 0.86 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.26 2p05 h ASP 55 CO 0.07 0.68 -0.57 2.30 -1.72 0.00 0.00 179.24 180.00 2p05 n ILE 56 N -4.24 0.08 -0.37 0.35 -5.35 -0.26 -4.96 119.36 104.61 2p05 n ILE 56 Ca 0.02 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 2p05 n ILE 56 Cb 0.28 0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 2p05 n ILE 56 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2p05 n GLY 57 N 1.46 0.80 3.57 3.28 0.00 -1.00 -5.05 105.19 108.24 2p05 n GLY 57 Ca 0.05 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 2p05 n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2p05 s ASP 58 N -2.15 5.14 -0.12 1.61 -1.08 -0.86 -4.95 116.67 114.25 2p05 s ASP 58 Ca 0.00 -0.02 0.17 0.00 -0.52 0.00 0.00 52.55 52.18 2p05 s ASP 58 Cb 0.00 -1.81 0.27 0.00 -1.46 0.00 0.00 42.92 39.92 2p05 s ASP 58 CO 0.00 0.20 1.14 -0.90 0.52 0.00 0.00 175.17 176.13 2p05 n ASP 59 N 3.36 2.13 0.29 -0.34 5.68 -1.26 -4.47 116.55 121.93 2p05 n ASP 59 Ca -0.17 -3.02 0.15 0.00 -0.50 0.00 0.00 54.79 51.25 2p05 n ASP 59 Cb 0.52 -0.41 0.85 0.00 -1.14 0.00 0.00 41.12 40.94 2p05 n ASP 59 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2p05 h THR 60 N 0.64 0.43 -0.02 2.12 1.35 -1.97 -2.83 112.91 112.63 2p05 h THR 60 Ca -0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 2p05 h THR 60 Cb 1.04 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 2p05 h THR 60 CO 0.00 0.06 -0.08 -1.22 -0.25 0.00 0.00 175.52 174.03 2p05 n TYR 61 N -3.58 0.00 -1.47 4.73 4.02 -1.26 -4.98 117.16 114.62 2p05 n TYR 61 Ca -0.02 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.49 2p05 n TYR 61 Cb 0.17 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.55 2p05 n TYR 61 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 2p05 n HIS 62 N 0.69 -0.15 -0.10 -0.72 8.25 -1.07 -4.65 115.22 117.47 2p05 n HIS 62 Ca 0.09 0.42 0.00 0.00 -0.26 0.00 0.00 57.72 57.97 2p05 n HIS 62 Cb 0.40 -2.01 0.00 0.00 1.12 0.00 0.00 29.99 29.50 2p05 n HIS 62 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2p05 n GLY 63 N 1.56 0.73 3.61 -1.41 0.00 -1.26 -4.96 105.19 103.46 2p05 n GLY 63 Ca 0.12 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.26 2p05 n GLY 63 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2p05 s HIS 64 N -1.37 -0.02 0.22 1.61 -3.43 -1.26 -2.07 115.29 108.97 2p05 s HIS 64 Ca 0.00 0.00 0.09 0.00 -0.80 0.00 0.00 55.06 54.35 2p05 s HIS 64 Cb 0.00 0.51 -0.05 0.00 -1.43 0.00 0.00 32.58 31.61 2p05 s HIS 64 CO 0.00 -0.04 -0.17 0.16 -2.00 0.00 0.00 174.74 172.69 2p05 s ASP 65 N -2.45 2.86 -0.08 7.38 1.47 -0.33 -4.96 116.67 120.57 2p05 s ASP 65 Ca 0.13 -1.00 0.02 0.00 1.18 0.00 0.00 52.55 52.88 2p05 s ASP 65 Cb 0.03 -0.18 -0.02 0.00 -0.34 0.00 0.00 42.92 42.40 2p05 s ASP 65 CO -0.04 -0.09 -0.12 -1.81 0.68 0.00 0.00 175.17 173.79 2p05 s ASP 66 N -3.26 4.23 -0.04 2.11 1.01 -1.26 -0.76 116.67 118.70 2p05 s ASP 66 Ca 0.23 -0.17 0.03 0.00 0.71 0.00 0.00 52.55 53.35 2p05 s ASP 66 Cb -0.03 -1.13 0.00 0.00 1.01 0.00 0.00 42.92 42.77 2p05 s ASP 66 CO 0.09 0.30 -0.13 0.26 0.21 0.00 0.00 175.17 175.91 2p05 s TRP 67 N -0.48 1.35 0.29 4.23 0.52 0.17 -4.97 118.94 120.05 2p05 s TRP 67 Ca 0.06 -0.41 -0.10 0.00 0.02 0.00 0.00 56.10 55.67 2p05 s TRP 67 Cb -0.12 -0.96 -0.07 0.00 -1.15 0.00 0.00 33.47 31.17 2p05 s TRP 67 CO 0.02 -0.18 0.63 -0.48 0.02 0.00 0.00 176.95 176.96 2p05 s LEU 68 N 0.32 4.07 -0.80 2.99 0.05 -1.26 0.15 118.68 124.20 2p05 s LEU 68 Ca -0.07 1.02 0.00 0.00 0.05 0.00 0.00 54.13 55.13 2p05 s LEU 68 Cb -0.12 -3.82 0.35 0.00 -2.05 0.00 0.00 46.19 40.55 2p05 s LEU 68 CO 0.02 -0.18 1.67 0.23 -0.55 0.00 0.00 176.35 177.54 2p05 n MET 69 N -0.50 3.77 -4.19 1.48 2.81 -1.05 -4.87 117.12 114.56 2p05 n MET 69 Ca 0.01 -4.23 -0.11 0.00 -1.81 0.00 0.00 57.70 51.56 2p05 n MET 69 Cb 0.53 -2.32 -0.10 0.00 -0.71 0.00 0.00 33.22 30.62 2p05 n MET 69 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2p05 s TYR 70 N -3.99 1.01 0.00 2.03 1.51 -1.26 -5.09 117.35 111.56 2p05 s TYR 70 Ca 0.47 -1.05 0.00 0.00 -1.01 0.00 0.00 57.07 55.48 2p05 s TYR 70 Cb 0.33 -0.58 0.00 0.00 -0.11 0.00 0.00 41.96 41.60 2p05 s TYR 70 CO -0.25 -0.28 0.00 0.00 -1.11 0.00 0.00 175.55 173.91