#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afp s THR 2 N 0.00 3.17 -0.21 0.00 2.01 -1.26 -4.29 115.64 115.05 1afp s THR 2 Ca 0.00 1.11 -0.06 0.00 0.31 0.00 0.00 61.69 63.05 1afp s THR 2 Cb 0.00 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 1afp s THR 2 CO 0.00 0.21 0.02 -0.31 -0.69 0.00 0.00 174.62 173.85 1afp s TYR 3 N -1.25 3.06 0.29 4.92 1.51 0.81 -4.88 117.35 121.82 1afp s TYR 3 Ca 0.50 -0.42 -0.06 0.00 -1.01 0.00 0.00 57.07 56.08 1afp s TYR 3 Cb -0.34 -2.12 -0.06 0.00 -0.11 0.00 0.00 41.96 39.34 1afp s TYR 3 CO 0.43 -0.24 0.57 -0.80 -1.11 0.00 0.00 175.55 174.41 1afp s ASN 4 N 1.10 6.47 0.00 2.29 0.02 -1.26 0.20 114.94 123.76 1afp s ASN 4 Ca 0.03 0.78 0.00 0.00 -1.02 0.00 0.00 52.86 52.65 1afp s ASN 4 Cb -0.14 -2.17 0.00 0.00 0.02 0.00 0.00 41.25 38.96 1afp s ASN 4 CO 0.02 -0.20 0.00 0.61 0.02 0.00 0.00 177.10 177.55 1afp n GLY 5 N -0.88 1.40 3.07 0.66 0.00 0.15 -4.30 105.19 105.29 1afp n GLY 5 Ca -0.01 0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 1afp n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1afp s LYS 6 N 4.88 0.56 0.22 1.61 1.02 -0.43 -1.67 119.74 125.93 1afp s LYS 6 Ca 0.00 -1.08 0.08 0.00 0.02 0.00 0.00 55.97 54.99 1afp s LYS 6 Cb 0.00 0.14 -0.05 0.00 -0.52 0.00 0.00 37.83 37.40 1afp s LYS 6 CO 0.00 -0.08 -0.14 0.00 -0.92 0.00 0.00 175.35 174.20 1afp s TYR 8 N -2.91 2.58 -0.19 0.00 1.51 0.04 -1.39 117.35 116.99 1afp s TYR 8 Ca 0.24 -0.24 -0.20 0.00 -1.01 0.00 0.00 57.07 55.86 1afp s TYR 8 Cb -0.01 -1.43 -0.17 0.00 -0.11 0.00 0.00 41.96 40.24 1afp s TYR 8 CO 0.09 0.31 0.22 1.57 -1.11 0.00 0.00 175.55 176.63 1afp h LYS 9 N 4.21 0.00 -0.03 -0.62 2.10 -1.82 1.06 116.57 121.47 1afp h LYS 9 Ca -0.48 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.17 1afp h LYS 9 Cb 1.16 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1afp h LYS 9 CO 0.48 0.85 0.10 0.87 -2.00 0.00 0.00 179.45 179.74 1afp h LYS 10 N -1.00 0.00 0.00 0.07 1.57 -1.96 -0.74 116.57 114.50 1afp h LYS 10 Ca -0.26 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.44 1afp h LYS 10 Cb 1.14 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 1afp h LYS 10 CO -0.16 0.00 -1.59 -0.25 -0.57 0.00 0.00 179.45 176.89 1afp n ASP 11 N -3.25 2.50 -3.63 0.86 8.00 -1.25 -5.02 116.55 114.76 1afp n ASP 11 Ca -0.02 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.26 1afp n ASP 11 Cb 0.17 1.17 0.04 0.00 -0.02 0.00 0.00 41.12 42.48 1afp n ASP 11 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1afp n ASN 12 N -2.10 -2.79 -3.33 -2.24 4.05 0.36 -4.86 115.26 104.36 1afp n ASN 12 Ca -0.08 -0.84 -0.20 0.00 0.45 0.00 0.00 54.58 53.90 1afp n ASN 12 Cb 0.53 -4.11 -0.08 0.00 1.23 0.00 0.00 39.78 37.36 1afp n ASN 12 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1afp n ILE 13 N -4.10 0.00 -4.13 -1.44 -6.64 -0.63 -0.35 119.36 102.07 1afp n ILE 13 Ca -0.23 -2.39 -0.24 0.00 -1.77 0.00 0.00 62.75 58.12 1afp n ILE 13 Cb 0.65 1.13 -0.17 0.00 -1.44 0.00 0.00 39.64 39.82 1afp n ILE 13 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1afp s LYS 15 N 1.27 3.54 0.24 0.00 1.02 0.39 -1.31 119.74 124.89 1afp s LYS 15 Ca -0.04 -0.54 -0.04 0.00 0.02 0.00 0.00 55.97 55.36 1afp s LYS 15 Cb -0.14 -3.15 -0.02 0.00 -0.52 0.00 0.00 37.83 34.00 1afp s LYS 15 CO -0.02 -0.15 0.30 1.52 -0.92 0.00 0.00 175.35 176.07 1afp s TYR 16 N 1.44 0.94 0.58 3.18 1.13 -1.04 -1.32 117.35 122.26 1afp s TYR 16 Ca 0.05 -1.18 -0.14 0.00 -1.41 0.00 0.00 57.07 54.39 1afp s TYR 16 Cb -0.15 -0.27 -0.05 0.00 -1.10 0.00 0.00 41.96 40.39 1afp s TYR 16 CO 0.01 -0.83 1.03 0.15 -2.51 0.00 0.00 175.55 173.39 1afp s LYS 17 N -3.92 3.55 0.32 -3.49 1.02 -1.26 -0.36 119.74 115.59 1afp s LYS 17 Ca 0.33 0.99 0.08 0.00 0.02 0.00 0.00 55.97 57.39 1afp s LYS 17 Cb 0.03 -2.07 -0.03 0.00 -0.52 0.00 0.00 37.83 35.24 1afp s LYS 17 CO 0.13 -0.61 0.21 0.00 -0.92 0.00 0.00 175.35 174.17 1afp s ALA 18 N -2.73 3.65 0.00 5.17 0.00 -1.18 -4.50 121.76 122.17 1afp s ALA 18 Ca 0.59 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1afp s ALA 18 Cb -0.13 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 21.99 1afp s ALA 18 CO 0.40 0.06 0.86 0.94 0.00 0.00 0.00 175.76 178.03 1afp n GLN 19 N -1.24 0.00 -0.35 0.00 0.00 -1.26 0.11 117.38 114.64 1afp n GLN 19 Ca -0.03 0.86 0.08 0.00 -0.00 0.00 0.00 57.00 57.92 1afp n GLN 19 Cb 0.60 -1.33 0.18 0.00 0.00 0.00 0.00 30.24 29.69 1afp n GLN 19 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 1afp h SER 20 N 0.00 -0.78 0.00 1.69 0.02 -2.01 -3.44 113.55 109.03 1afp h SER 20 Ca 0.00 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1afp h SER 20 Cb 0.00 0.57 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1afp h SER 20 CO 0.00 -0.33 0.00 0.61 -1.14 0.00 0.00 176.83 175.97 1afp n GLY 21 N -1.58 0.60 0.00 -3.77 0.00 0.12 -5.11 105.19 95.44 1afp n GLY 21 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1afp n GLY 21 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1afp n LYS 22 N 0.00 0.00 -3.47 1.61 4.81 -1.25 -4.31 118.16 115.55 1afp n LYS 22 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.31 1afp n LYS 22 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1afp n LYS 22 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1afp s THR 23 N 0.00 0.00 -0.04 3.15 2.01 -1.26 -3.07 115.64 116.43 1afp s THR 23 Ca 0.00 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 1afp s THR 23 Cb 0.00 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.52 1afp s THR 23 CO 0.00 0.00 0.10 0.00 -0.69 0.00 0.00 174.62 174.03 1afp s ALA 24 N -2.92 -0.25 -0.12 7.40 0.00 0.51 -4.62 121.76 121.75 1afp s ALA 24 Ca -0.01 0.30 -0.05 0.00 0.00 0.00 0.00 51.96 52.19 1afp s ALA 24 Cb -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1afp s ALA 24 CO -0.06 -0.05 0.07 0.42 0.00 0.00 0.00 175.76 176.14 1afp s ILE 25 N 0.08 4.92 -0.29 0.00 1.01 -1.26 -2.50 121.20 123.16 1afp s ILE 25 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.61 1afp s ILE 25 Cb -0.01 -3.14 0.10 0.00 0.01 0.00 0.00 42.46 39.42 1afp s ILE 25 CO 0.00 0.58 0.12 0.00 0.00 0.00 0.00 174.94 175.64 1afp n LYS 27 N 5.14 0.30 -2.55 0.00 2.85 -1.26 -1.57 118.16 121.07 1afp n LYS 27 Ca -0.05 0.11 -0.41 0.00 -1.05 0.00 0.00 58.31 56.90 1afp n LYS 27 Cb 0.42 -1.22 -0.03 0.00 -0.65 0.00 0.00 35.03 33.55 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1afp n TYR 29 N 9.12 1.04 -1.04 0.00 4.11 -1.26 -4.78 117.16 124.35 1afp n TYR 29 Ca 0.05 -0.42 0.00 0.00 -0.00 0.00 0.00 57.90 57.54 1afp n TYR 29 Cb 0.49 -0.32 0.00 0.00 -0.00 0.00 0.00 39.34 39.51 1afp n TYR 29 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1afp n VAL 30 N 0.25 0.00 -1.64 -3.48 0.31 -1.26 -5.05 118.33 107.45 1afp n VAL 30 Ca 0.15 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.06 1afp n VAL 30 Cb 0.74 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.64 1afp n VAL 30 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1afp s LYS 31 N 3.44 2.97 0.41 5.55 2.47 -1.26 -4.87 119.74 128.46 1afp s LYS 31 Ca 0.00 1.84 -0.14 0.00 -1.56 0.00 0.00 55.97 56.11 1afp s LYS 31 Cb 0.00 -4.39 -0.12 0.00 -1.46 0.00 0.00 37.83 31.86 1afp s LYS 31 CO 0.00 -2.29 -0.12 1.17 0.16 0.00 0.00 175.35 174.28 1afp n LYS 32 N 8.78 0.00 -1.75 4.03 4.81 -1.26 -4.74 118.16 128.03 1afp n LYS 32 Ca 0.30 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.33 1afp n LYS 32 Cb 0.47 -0.79 0.00 0.00 0.02 0.00 0.00 35.03 34.73 1afp n LYS 32 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1afp h PRO 34 N 2.68 0.00 0.00 0.00 0.13 -1.91 -3.39 132.00 129.52 1afp h PRO 34 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1afp h PRO 34 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1afp h PRO 34 CO 0.63 0.00 0.00 2.89 -0.23 0.00 0.00 178.00 181.29 1afp n ARG 35 N -3.06 0.00 -1.28 0.86 1.85 -1.26 -4.96 116.66 108.80 1afp n ARG 35 Ca 0.02 0.00 -0.49 0.00 -1.00 0.00 0.00 57.85 56.38 1afp n ARG 35 Cb 0.41 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.76 1afp n ARG 35 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1afp n ASP 36 N 0.00 -0.17 0.00 2.89 10.43 -1.26 -0.83 116.55 127.62 1afp n ASP 36 Ca 0.00 1.00 0.00 0.00 2.57 0.00 0.00 54.79 58.36 1afp n ASP 36 Cb 0.00 -0.80 0.00 0.00 1.84 0.00 0.00 41.12 42.16 1afp n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1afp n GLY 37 N 1.36 2.59 3.68 0.44 0.00 -0.49 -4.96 105.19 107.80 1afp n GLY 37 Ca 0.17 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.60 1afp n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1afp n ALA 38 N -0.74 -0.91 -1.76 4.61 0.00 -0.01 -4.42 120.51 117.28 1afp n ALA 38 Ca 0.00 0.46 -0.36 0.00 0.00 0.00 0.00 53.44 53.53 1afp n ALA 38 Cb 0.00 -2.09 0.01 0.00 0.00 0.00 0.00 19.45 17.38 1afp n ALA 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1afp s LYS 39 N 2.50 3.29 0.18 0.00 2.36 -1.26 0.23 119.74 127.04 1afp s LYS 39 Ca 0.96 1.79 -0.22 0.00 -2.55 0.00 0.00 55.97 55.96 1afp s LYS 39 Cb -1.16 -2.10 0.06 0.00 -1.05 0.00 0.00 37.83 33.58 1afp s LYS 39 CO 0.65 -0.94 0.60 0.00 1.55 0.00 0.00 175.35 177.21 1afp s GLU 41 N -3.78 1.65 -0.22 0.00 1.03 -1.25 0.33 118.70 116.47 1afp s GLU 41 Ca 0.03 -0.53 -0.10 0.00 0.03 0.00 0.00 54.97 54.39 1afp s GLU 41 Cb -0.01 -1.43 -0.05 0.00 -0.80 0.00 0.00 34.13 31.84 1afp s GLU 41 CO -0.10 0.19 0.14 0.12 -1.33 0.00 0.00 175.26 174.28 1afp s PHE 42 N 0.16 3.35 0.11 4.83 2.19 0.54 -2.61 117.98 126.54 1afp s PHE 42 Ca -0.05 0.25 -0.27 0.00 0.33 0.00 0.00 56.93 57.19 1afp s PHE 42 Cb -0.12 -2.20 -0.07 0.00 -1.31 0.00 0.00 43.02 39.32 1afp s PHE 42 CO 0.02 0.16 0.83 -0.51 1.83 0.00 0.00 175.22 177.56 1afp s ASP 43 N 0.70 7.37 0.08 6.13 -0.00 -1.10 -0.14 116.67 129.72 1afp s ASP 43 Ca 0.07 1.63 0.23 0.00 -0.00 0.00 0.00 52.55 54.49 1afp s ASP 43 Cb -0.12 -2.52 0.13 0.00 -0.00 0.00 0.00 42.92 40.41 1afp s ASP 43 CO 0.01 0.06 1.11 -1.54 -0.00 0.00 0.00 175.17 174.82 1afp n SER 44 N 2.35 0.64 0.31 0.27 3.41 -1.26 -0.66 113.62 118.68 1afp n SER 44 Ca -0.02 -0.06 0.19 0.00 -0.26 0.00 0.00 58.87 58.72 1afp n SER 44 Cb 0.49 0.59 1.04 0.00 -0.26 0.00 0.00 64.21 66.07 1afp n SER 44 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1afp h TYR 45 N 0.00 0.00 0.00 7.33 -0.00 -1.92 -3.38 116.97 119.00 1afp h TYR 45 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1afp h TYR 45 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.49 1afp h TYR 45 CO 0.00 0.01 0.00 1.17 -0.00 0.00 0.00 178.16 179.34 1afp n LYS 46 N -3.46 0.00 0.00 0.10 4.81 -1.25 -5.04 118.16 113.32 1afp n LYS 46 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 1afp n LYS 46 Cb 0.09 -0.08 0.00 0.00 0.02 0.00 0.00 35.03 35.07 1afp n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1afp n GLY 47 N -0.18 0.32 3.08 3.14 0.00 0.16 -5.07 105.19 106.64 1afp n GLY 47 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1afp n GLY 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1afp n LYS 48 N 0.00 -0.15 -3.80 1.61 3.00 -1.24 -4.58 118.16 113.01 1afp n LYS 48 Ca 0.00 -0.04 -0.29 0.00 -0.00 0.00 0.00 58.31 57.99 1afp n LYS 48 Cb 0.00 -1.16 -0.13 0.00 0.00 0.00 0.00 35.03 33.74 1afp n LYS 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1afp n TYR 50 N 2.81 1.14 1.42 0.00 4.01 -1.07 -4.49 117.16 120.97 1afp n TYR 50 Ca 0.14 -1.48 0.11 0.00 -0.16 0.00 0.00 57.90 56.51 1afp n TYR 50 Cb 0.36 -1.39 0.67 0.00 -0.31 0.00 0.00 39.34 38.67 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40