#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g81 h ASP 20 N 7.63 0.23 -3.75 0.00 3.32 -1.90 -3.27 116.42 118.68 2g81 h ASP 20 Ca -0.32 -0.32 -0.66 0.00 0.02 0.00 0.00 57.03 55.75 2g81 h ASP 20 Cb 1.13 -0.07 -0.40 0.00 0.22 0.00 0.00 39.33 40.21 2g81 h ASP 20 CO 0.32 1.27 -0.71 -0.13 -1.72 0.00 0.00 179.24 178.27 2g81 s ARG 21 N -2.63 1.52 -0.11 3.56 0.52 -1.26 -4.96 118.95 115.58 2g81 s ARG 21 Ca -0.06 -1.94 0.02 0.00 -0.52 0.00 0.00 55.73 53.22 2g81 s ARG 21 Cb 0.08 -3.20 -0.01 0.00 0.52 0.00 0.00 34.95 32.34 2g81 s ARG 21 CO 0.84 -0.96 -0.18 0.00 0.02 0.00 0.00 175.30 175.02 2g81 s GLU 23 N 0.32 1.03 0.05 0.00 8.01 -0.55 -4.98 118.70 122.59 2g81 s GLU 23 Ca -0.14 -0.85 0.04 0.00 0.01 0.00 0.00 54.97 54.02 2g81 s GLU 23 Cb -0.17 -1.08 -0.02 0.00 -4.31 0.00 0.00 34.13 28.54 2g81 s GLU 23 CO 0.07 0.27 -0.11 0.00 0.01 0.00 0.00 175.26 175.49 2g81 s THR 25 N -1.20 2.69 -0.59 0.00 -4.23 0.59 -4.91 115.64 108.00 2g81 s THR 25 Ca -0.04 0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.70 2g81 s THR 25 Cb -0.09 -2.49 0.50 0.00 1.34 0.00 0.00 72.50 71.76 2g81 s THR 25 CO 0.01 -0.29 1.96 0.29 -0.54 0.00 0.00 174.62 176.05 2g81 n LYS 26 N -3.85 2.61 -3.20 3.99 5.02 -1.26 -4.09 118.16 117.37 2g81 n LYS 26 Ca 0.11 -3.26 -0.20 0.00 -2.02 0.00 0.00 58.31 52.94 2g81 n LYS 26 Cb 0.52 -2.25 0.03 0.00 -0.02 0.00 0.00 35.03 33.31 2g81 n LYS 26 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2g81 s SER 27 N -1.80 5.19 -0.17 4.39 1.04 -1.26 -5.03 113.70 116.06 2g81 s SER 27 Ca 0.62 -0.77 0.01 0.00 0.48 0.00 0.00 55.95 56.29 2g81 s SER 27 Cb 0.50 -0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.56 2g81 s SER 27 CO 0.02 -1.06 -0.18 -0.63 0.98 0.00 0.00 173.24 172.37 2g81 s ILE 28 N -2.57 2.30 0.69 -1.02 -1.09 -1.26 -1.88 121.20 116.37 2g81 s ILE 28 Ca 0.55 -0.88 -0.15 0.00 -2.23 0.00 0.00 60.65 57.94 2g81 s ILE 28 Cb -0.06 -1.96 0.01 0.00 -1.58 0.00 0.00 42.46 38.87 2g81 s ILE 28 CO 0.34 0.53 1.13 -2.16 -1.23 0.00 0.00 174.94 173.54 2g81 s PRO 29 N 1.12 2.59 0.47 2.79 0.04 -1.26 -5.09 135.00 135.66 2g81 s PRO 29 Ca 0.00 1.46 -0.24 0.00 0.04 0.00 0.00 61.00 62.26 2g81 s PRO 29 Cb -0.14 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 2g81 s PRO 29 CO -0.07 -1.42 1.31 -1.25 0.04 0.00 0.00 177.00 175.61 2g81 s PRO 30 N -4.11 3.60 -0.26 0.56 0.04 -0.79 -4.98 135.00 129.07 2g81 s PRO 30 Ca 0.68 2.15 -0.03 0.00 0.04 0.00 0.00 61.00 63.84 2g81 s PRO 30 Cb -0.22 -2.50 0.02 0.00 0.04 0.00 0.00 34.50 31.83 2g81 s PRO 30 CO 0.43 -0.79 -0.02 -0.65 0.04 0.00 0.00 177.00 176.01 2g81 s GLN 31 N -2.59 2.94 0.11 4.56 -0.21 -1.26 -3.99 119.66 119.22 2g81 s GLN 31 Ca 0.64 -0.92 0.10 0.00 0.02 0.00 0.00 55.36 55.20 2g81 s GLN 31 Cb -0.38 -3.10 -0.04 0.00 1.00 0.00 0.00 33.01 30.49 2g81 s GLN 31 CO 0.47 -0.40 -0.26 0.00 -2.12 0.00 0.00 175.29 172.98 2g81 s ARG 33 N -1.83 0.54 -0.25 0.00 3.52 -0.01 -0.98 118.95 119.94 2g81 s ARG 33 Ca 0.13 -0.78 -0.19 0.00 -0.13 0.00 0.00 55.73 54.75 2g81 s ARG 33 Cb -0.10 -0.27 -0.03 0.00 -1.56 0.00 0.00 34.95 33.00 2g81 s ARG 33 CO 0.05 0.04 0.56 0.00 -0.81 0.00 0.00 175.30 175.14 2g81 n SER 35 N 5.45 3.06 -4.69 0.00 7.64 0.84 -4.17 113.62 121.75 2g81 n SER 35 Ca -0.03 -1.98 -0.44 0.00 1.01 0.00 0.00 58.87 57.43 2g81 n SER 35 Cb 0.50 -0.35 -0.03 0.00 -1.01 0.00 0.00 64.21 63.32 2g81 n SER 35 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2g81 n ASP 36 N 1.18 3.15 -4.48 6.43 8.00 -1.25 -4.96 116.55 124.62 2g81 n ASP 36 Ca 0.19 1.13 -0.34 0.00 0.71 0.00 0.00 54.79 56.48 2g81 n ASP 36 Cb 0.50 -1.48 -0.12 0.00 -0.02 0.00 0.00 41.12 40.00 2g81 n ASP 36 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2g81 s VAL 37 N 0.14 3.93 0.10 2.53 1.01 -1.26 -4.27 120.40 122.58 2g81 s VAL 37 Ca 0.69 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.37 2g81 s VAL 37 Cb -0.61 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 2g81 s VAL 37 CO 0.47 0.47 -0.11 -0.13 0.00 0.00 0.00 175.10 175.80 2g81 s ARG 38 N 0.58 0.88 -0.05 2.72 0.52 0.13 -4.90 118.95 118.84 2g81 s ARG 38 Ca -0.02 -1.16 -0.30 0.00 -0.52 0.00 0.00 55.73 53.73 2g81 s ARG 38 Cb -0.14 -0.62 -0.03 0.00 0.52 0.00 0.00 34.95 34.68 2g81 s ARG 38 CO 0.02 0.10 1.15 -0.51 0.02 0.00 0.00 175.30 176.09 2g81 s LEU 39 N -2.42 4.29 0.00 2.53 1.43 -1.26 -0.12 118.68 123.13 2g81 s LEU 39 Ca 0.06 1.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.93 2g81 s LEU 39 Cb -0.04 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.62 2g81 s LEU 39 CO 0.01 -0.52 0.00 0.59 0.23 0.00 0.00 176.35 176.65 2g81 n ASN 40 N 4.94 0.00 -3.70 2.29 3.02 1.00 -4.88 115.26 117.92 2g81 n ASN 40 Ca 0.10 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.55 2g81 n ASN 40 Cb 0.47 -0.62 -0.05 0.00 -0.61 0.00 0.00 39.78 38.97 2g81 n ASN 40 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2g81 s SER 41 N -2.59 -0.12 0.55 6.41 1.04 -1.26 -4.98 113.70 112.75 2g81 s SER 41 Ca 0.00 -0.42 0.05 0.00 0.48 0.00 0.00 55.95 56.06 2g81 s SER 41 Cb 0.00 0.43 0.04 0.00 0.10 0.00 0.00 66.02 66.59 2g81 s SER 41 CO 0.00 -0.81 0.36 0.00 0.98 0.00 0.00 173.24 173.77 2g81 s HIS 43 N -2.80 1.66 -0.37 0.00 -3.43 -1.26 -4.86 115.29 104.22 2g81 s HIS 43 Ca 0.29 1.76 0.23 0.00 -0.80 0.00 0.00 55.06 56.55 2g81 s HIS 43 Cb -0.02 -3.40 1.06 0.00 -1.43 0.00 0.00 32.58 28.79 2g81 s HIS 43 CO 0.18 -2.85 1.71 -1.13 -2.00 0.00 0.00 174.74 170.65 2g81 n SER 44 N -3.93 0.66 -1.02 7.38 3.41 -1.26 -1.90 113.62 116.96 2g81 n SER 44 Ca 0.12 0.70 0.12 0.00 -0.26 0.00 0.00 58.87 59.56 2g81 n SER 44 Cb 0.51 -0.83 0.22 0.00 -0.26 0.00 0.00 64.21 63.86 2g81 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2g81 n ALA 45 N -1.79 2.45 -2.41 7.33 0.00 -1.26 -4.97 120.51 119.86 2g81 n ALA 45 Ca 0.01 -0.86 -0.42 0.00 0.00 0.00 0.00 53.44 52.17 2g81 n ALA 45 Cb 0.17 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 2g81 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2g81 h LYS 47 N 7.23 0.00 -3.02 0.00 1.79 -1.93 -3.42 116.57 117.23 2g81 h LYS 47 Ca -0.38 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.49 2g81 h LYS 47 Cb 1.19 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.44 2g81 h LYS 47 CO 0.85 0.40 -0.76 -1.54 -1.08 0.00 0.00 179.45 177.32 2g81 s SER 48 N -5.96 3.61 -0.48 0.86 1.04 -1.26 -5.06 113.70 106.45 2g81 s SER 48 Ca -0.03 -2.42 -0.20 0.00 0.48 0.00 0.00 55.95 53.79 2g81 s SER 48 Cb 0.08 -0.92 0.04 0.00 0.10 0.00 0.00 66.02 65.33 2g81 s SER 48 CO 0.81 -0.30 0.65 0.00 0.98 0.00 0.00 173.24 175.38 2g81 s ALA 50 N 2.79 3.57 0.17 0.00 0.00 -0.03 -4.90 121.76 123.36 2g81 s ALA 50 Ca 0.19 -0.48 0.11 0.00 0.00 0.00 0.00 51.96 51.78 2g81 s ALA 50 Cb -0.17 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 2g81 s ALA 50 CO 0.15 -0.61 -0.24 0.00 0.00 0.00 0.00 175.76 175.06 2g81 s THR 52 N -1.45 1.80 -0.65 0.00 -4.23 0.31 -4.95 115.64 106.46 2g81 s THR 52 Ca 0.19 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.71 2g81 s THR 52 Cb -0.09 -2.54 0.38 0.00 1.34 0.00 0.00 72.50 71.60 2g81 s THR 52 CO 0.09 0.00 1.50 0.49 -0.54 0.00 0.00 174.62 176.16 2g81 n PHE 53 N -4.44 3.26 -4.15 3.99 3.01 -1.26 -4.59 117.46 113.28 2g81 n PHE 53 Ca 0.10 -2.85 -0.27 0.00 1.01 0.00 0.00 57.45 55.44 2g81 n PHE 53 Cb 0.59 -0.63 -0.04 0.00 -0.01 0.00 0.00 39.48 39.39 2g81 n PHE 53 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2g81 s SER 54 N -2.42 4.47 -0.22 4.37 0.01 -1.26 -5.04 113.70 113.60 2g81 s SER 54 Ca 0.49 -1.27 0.01 0.00 1.31 0.00 0.00 55.95 56.49 2g81 s SER 54 Cb 0.39 0.13 0.05 0.00 0.21 0.00 0.00 66.02 66.80 2g81 s SER 54 CO -0.27 -0.86 -0.10 -0.63 0.41 0.00 0.00 173.24 171.79 2g81 s ILE 55 N -2.73 1.77 0.86 1.44 -1.09 -1.26 -2.21 121.20 117.98 2g81 s ILE 55 Ca 0.30 -1.22 -0.12 0.00 -2.23 0.00 0.00 60.65 57.38 2g81 s ILE 55 Cb 0.00 -1.89 0.11 0.00 -1.58 0.00 0.00 42.46 39.10 2g81 s ILE 55 CO 0.18 0.06 1.13 -2.84 -1.23 0.00 0.00 174.94 172.24 2g81 s PRO 56 N 1.31 1.53 0.29 2.79 0.02 -1.26 -5.10 135.00 134.58 2g81 s PRO 56 Ca -0.04 0.40 -0.26 0.00 0.02 0.00 0.00 61.00 61.11 2g81 s PRO 56 Cb -0.18 -1.87 -0.09 0.00 0.02 0.00 0.00 34.50 32.37 2g81 s PRO 56 CO -0.07 -1.95 0.92 0.00 -0.33 0.00 0.00 177.00 175.56 2g81 s ALA 57 N -3.26 3.27 -0.19 -1.55 0.00 -0.94 -4.92 121.76 114.17 2g81 s ALA 57 Ca 0.63 0.51 -0.08 0.00 0.00 0.00 0.00 51.96 53.02 2g81 s ALA 57 Cb -0.14 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 2g81 s ALA 57 CO 0.53 0.20 0.07 -0.65 0.00 0.00 0.00 175.76 175.91 2g81 s GLN 58 N -1.82 3.97 0.06 0.00 -0.21 -1.26 -0.00 119.66 120.40 2g81 s GLN 58 Ca 0.47 -0.34 0.06 0.00 0.02 0.00 0.00 55.36 55.56 2g81 s GLN 58 Cb -0.20 -3.23 -0.03 0.00 1.00 0.00 0.00 33.01 30.55 2g81 s GLN 58 CO 0.25 0.25 -0.16 0.00 -2.12 0.00 0.00 175.29 173.51 2g81 s PHE 60 N -1.08 0.22 -0.13 0.00 -0.12 0.30 -0.69 117.98 116.48 2g81 s PHE 60 Ca 0.01 -0.57 -0.21 0.00 -0.05 0.00 0.00 56.93 56.12 2g81 s PHE 60 Cb -0.09 -0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.12 2g81 s PHE 60 CO 0.02 -0.40 0.63 0.00 -0.05 0.00 0.00 175.22 175.42 2g81 n GLY 62 N 3.43 -1.04 3.77 0.00 0.00 0.53 -4.46 105.19 107.43 2g81 n GLY 62 Ca -0.02 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 2g81 n GLY 62 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2g81 n ASP 63 N -1.09 3.81 -4.43 1.61 8.00 -1.26 -4.99 116.55 118.21 2g81 n ASP 63 Ca 0.12 1.22 -0.34 0.00 0.71 0.00 0.00 54.79 56.50 2g81 n ASP 63 Cb 0.30 -1.62 -0.13 0.00 -0.02 0.00 0.00 41.12 39.65 2g81 n ASP 63 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2g81 s ILE 64 N -1.03 3.54 0.17 0.53 -1.09 -1.26 -4.38 121.20 117.68 2g81 s ILE 64 Ca 0.54 -0.48 0.00 0.00 -2.23 0.00 0.00 60.65 58.48 2g81 s ILE 64 Cb -0.48 -2.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.82 2g81 s ILE 64 CO 0.63 0.49 0.05 0.20 -1.23 0.00 0.00 174.94 175.08 2g81 s ASN 65 N 0.52 0.73 -0.21 3.58 -0.87 -0.15 -4.89 114.94 113.66 2g81 s ASN 65 Ca -0.05 -1.25 0.03 0.00 -1.57 0.00 0.00 52.86 50.02 2g81 s ASN 65 Cb -0.15 0.23 0.37 0.00 -0.02 0.00 0.00 41.25 41.68 2g81 s ASN 65 CO 0.03 -0.69 1.40 -0.90 -2.57 0.00 0.00 177.10 174.37 2g81 n ASP 66 N -0.23 3.42 -3.69 -1.22 3.85 -1.26 0.32 116.55 117.74 2g81 n ASP 66 Ca -0.04 -2.76 -0.09 0.00 -0.71 0.00 0.00 54.79 51.19 2g81 n ASP 66 Cb 0.64 -0.66 -0.03 0.00 -1.35 0.00 0.00 41.12 39.73 2g81 n ASP 66 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.20 176.91 2g81 s PHE 67 N -1.78 -0.24 -0.03 2.11 -0.71 -1.26 -4.75 117.98 111.31 2g81 s PHE 67 Ca 0.30 -0.10 -0.01 0.00 -1.04 0.00 0.00 56.93 56.08 2g81 s PHE 67 Cb 0.24 0.52 -0.04 0.00 -1.21 0.00 0.00 43.02 42.54 2g81 s PHE 67 CO 0.06 -0.99 0.03 0.00 -1.34 0.00 0.00 175.22 172.99 2g81 s TYR 69 N -1.06 2.55 0.68 0.00 1.51 -1.26 -4.99 117.35 114.78 2g81 s TYR 69 Ca 0.18 1.56 -0.17 0.00 -1.01 0.00 0.00 57.07 57.64 2g81 s TYR 69 Cb -0.12 -3.17 0.01 0.00 -0.11 0.00 0.00 41.96 38.57 2g81 s TYR 69 CO 0.09 -1.80 1.26 -1.59 -1.11 0.00 0.00 175.55 172.40 2g81 s LYS 70 N -4.25 2.38 0.73 -0.62 -2.85 -1.26 -4.10 119.74 109.76 2g81 s LYS 70 Ca 0.66 1.94 -0.16 0.00 -1.00 0.00 0.00 55.97 57.42 2g81 s LYS 70 Cb -0.20 -1.84 0.02 0.00 -2.06 0.00 0.00 37.83 33.75 2g81 s LYS 70 CO 0.45 -1.70 1.07 -2.30 0.10 0.00 0.00 175.35 172.97 2g81 n PRO 71 N -2.23 0.54 0.00 1.78 -0.02 -1.23 -0.22 135.00 133.63 2g81 n PRO 71 Ca 0.15 0.25 0.16 0.00 -2.02 0.00 0.00 63.50 62.03 2g81 n PRO 71 Cb 0.49 -2.32 0.94 0.00 -0.02 0.00 0.00 33.50 32.58 2g81 n PRO 71 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48