#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 2.88 -0.18 0.00 2.01 -1.26 -4.27 115.64 114.82 1afp s THR 2 Ca 0.00 0.64 -0.00 0.00 0.31 0.00 0.00 61.69 62.64 1afp s THR 2 Cb 0.00 -3.31 0.01 0.00 0.01 0.00 0.00 72.50 69.20 1afp s THR 2 CO 0.00 -0.03 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.44 1afp s TYR 3 N -1.52 2.82 0.71 4.92 1.51 -0.33 -4.89 117.35 120.56 1afp s TYR 3 Ca 0.67 -1.31 -0.11 0.00 -1.01 0.00 0.00 57.07 55.31 1afp s TYR 3 Cb -0.30 -1.95 0.01 0.00 -0.11 0.00 0.00 41.96 39.60 1afp s TYR 3 CO 0.36 -0.66 1.06 -0.80 -1.11 0.00 0.00 175.55 174.41 1afp s ASN 4 N 1.21 5.28 0.00 2.29 0.02 -1.26 0.08 114.94 122.55 1afp s ASN 4 Ca 0.02 1.60 0.00 0.00 -1.02 0.00 0.00 52.86 53.47 1afp s ASN 4 Cb -0.14 -2.46 0.00 0.00 0.02 0.00 0.00 41.25 38.67 1afp s ASN 4 CO -0.07 -1.51 0.00 0.61 0.02 0.00 0.00 177.10 176.15 1afp n GLY 5 N -1.97 -0.93 3.54 0.66 0.00 0.11 -3.05 105.19 103.55 1afp n GLY 5 Ca 0.08 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.08 1.80 0.13 1.61 3.01 0.42 0.13 119.74 125.77 1afp s LYS 6 Ca 0.00 -2.01 0.04 0.00 -1.01 0.00 0.00 55.97 52.99 1afp s LYS 6 Cb 0.00 -1.28 -0.04 0.00 -1.01 0.00 0.00 37.83 35.50 1afp s LYS 6 CO 0.00 -0.10 -0.09 0.00 0.51 0.00 0.00 175.35 175.66 1afp s TYR 8 N -3.40 2.29 -0.16 0.00 1.51 -0.27 -1.59 117.35 115.73 1afp s TYR 8 Ca 0.15 -0.43 -0.23 0.00 -1.01 0.00 0.00 57.07 55.56 1afp s TYR 8 Cb 0.03 -1.45 -0.24 0.00 -0.11 0.00 0.00 41.96 40.19 1afp s TYR 8 CO -0.01 -0.00 0.51 1.57 -1.11 0.00 0.00 175.55 176.51 1afp h LYS 9 N 5.34 0.07 -0.26 -0.62 5.09 -1.82 1.70 116.57 126.07 1afp h LYS 9 Ca -0.43 -0.11 0.07 0.00 0.09 0.00 0.00 60.65 60.27 1afp h LYS 9 Cb 1.13 0.04 -0.01 0.00 0.10 0.00 0.00 32.23 33.49 1afp h LYS 9 CO 0.46 1.05 0.30 -0.22 -2.09 0.00 0.00 179.45 178.96 1afp h LYS 10 N -0.82 0.00 0.00 0.07 3.64 -1.96 0.70 116.57 118.21 1afp h LYS 10 Ca -0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1afp h LYS 10 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1afp h LYS 10 CO -0.06 0.00 -0.99 -3.47 -2.27 0.00 0.00 179.45 172.65 1afp n ASP 11 N -3.70 2.08 -3.74 4.20 4.64 -1.24 -5.03 116.55 113.76 1afp n ASP 11 Ca 0.04 -0.26 -0.33 0.00 -1.38 0.00 0.00 54.79 52.86 1afp n ASP 11 Cb 0.44 1.23 0.04 0.00 -1.04 0.00 0.00 41.12 41.79 1afp n ASP 11 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1afp n ASN 12 N -1.56 -4.76 -2.69 1.67 2.85 0.56 -4.89 115.26 106.44 1afp n ASN 12 Ca -0.00 -1.04 -0.15 0.00 -0.11 0.00 0.00 54.58 53.28 1afp n ASN 12 Cb 0.18 -3.19 -0.06 0.00 1.24 0.00 0.00 39.78 37.95 1afp n ASN 12 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1afp n ILE 13 N -4.29 0.00 -3.72 -1.44 -6.64 0.03 -2.18 119.36 101.12 1afp n ILE 13 Ca -0.11 -1.83 -0.23 0.00 -1.77 0.00 0.00 62.75 58.80 1afp n ILE 13 Cb 0.60 0.92 -0.17 0.00 -1.44 0.00 0.00 39.64 39.54 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 2.02 3.71 0.08 0.00 1.02 0.40 -0.23 119.74 126.75 1afp s LYS 15 Ca 0.04 -0.46 -0.02 0.00 0.02 0.00 0.00 55.97 55.55 1afp s LYS 15 Cb -0.14 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 1afp s LYS 15 CO -0.06 -0.08 0.03 1.52 -0.92 0.00 0.00 175.35 175.84 1afp s TYR 16 N 1.32 0.57 0.11 3.18 -0.85 -1.02 -0.44 117.35 120.22 1afp s TYR 16 Ca 0.05 -1.06 -0.30 0.00 -0.52 0.00 0.00 57.07 55.24 1afp s TYR 16 Cb -0.15 -0.37 -0.06 0.00 0.38 0.00 0.00 41.96 41.77 1afp s TYR 16 CO 0.03 -0.45 0.97 0.15 -1.52 0.00 0.00 175.55 174.73 1afp s LYS 17 N -3.95 4.69 0.00 -3.49 -0.14 -1.17 -1.37 119.74 114.31 1afp s LYS 17 Ca 0.12 1.46 0.00 0.00 -1.36 0.00 0.00 55.97 56.19 1afp s LYS 17 Cb 0.07 -3.38 0.00 0.00 -1.68 0.00 0.00 37.83 32.84 1afp s LYS 17 CO -0.06 0.20 0.00 0.00 -0.76 0.00 0.00 175.35 174.72 1afp n ALA 18 N 2.84 0.00 -0.30 5.17 0.00 -1.26 -4.70 120.51 122.26 1afp n ALA 18 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1afp n ALA 18 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1afp n ALA 18 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1afp n GLN 19 N 0.00 -0.59 -0.09 0.00 -0.06 -1.26 -4.68 117.38 110.70 1afp n GLN 19 Ca 0.00 -0.38 0.00 0.00 -2.00 0.00 0.00 57.00 54.62 1afp n GLN 19 Cb 0.00 -0.85 0.00 0.00 -4.06 0.00 0.00 30.24 25.33 1afp n GLN 19 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 1afp n SER 20 N -0.01 0.20 0.00 1.69 7.64 -1.26 -4.98 113.62 116.90 1afp n SER 20 Ca 0.00 -1.29 0.00 0.00 1.01 0.00 0.00 58.87 58.59 1afp n SER 20 Cb 0.09 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1afp n SER 20 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1afp n GLY 21 N -0.06 2.75 0.69 0.23 0.00 -1.26 -4.84 105.19 102.68 1afp n GLY 21 Ca 0.00 0.00 0.50 0.00 0.00 0.00 0.00 46.02 46.52 1afp n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1afp h LYS 22 N 1.95 0.00 -4.83 1.61 1.79 -1.93 -3.43 116.57 111.73 1afp h LYS 22 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1afp h LYS 22 Cb 0.00 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 1afp h LYS 22 CO 0.00 0.00 -0.80 2.41 -1.08 0.00 0.00 179.45 179.98 1afp n THR 23 N -3.89 -8.81 -3.98 -0.16 -1.04 -1.26 -4.88 114.28 90.26 1afp n THR 23 Ca 0.41 1.99 -0.21 0.00 -2.04 0.00 0.00 64.05 64.20 1afp n THR 23 Cb 1.92 -4.75 -0.02 0.00 -1.82 0.00 0.00 70.33 65.66 1afp n THR 23 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1afp s ALA 24 N -0.41 3.90 -0.11 2.41 0.00 -0.47 -4.85 121.76 122.24 1afp s ALA 24 Ca -0.07 -1.24 -0.02 0.00 0.00 0.00 0.00 51.96 50.64 1afp s ALA 24 Cb 0.00 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 1afp s ALA 24 CO 0.20 0.26 -0.04 0.42 0.00 0.00 0.00 175.76 176.59 1afp s ILE 25 N -1.98 3.91 -0.32 0.00 -1.09 -1.26 -2.43 121.20 118.03 1afp s ILE 25 Ca 0.34 -0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.38 1afp s ILE 25 Cb -0.09 -2.65 0.10 0.00 -1.58 0.00 0.00 42.46 38.24 1afp s ILE 25 CO 0.29 0.56 0.08 0.00 -1.23 0.00 0.00 174.94 174.64 1afp n LYS 27 N 4.71 0.00 -1.53 0.00 5.02 -1.26 -1.72 118.16 123.38 1afp n LYS 27 Ca -0.01 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.98 1afp n LYS 27 Cb 0.42 -0.93 0.22 0.00 -0.02 0.00 0.00 35.03 34.72 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afp s TYR 29 N -3.50 -0.02 0.00 0.00 5.04 -1.26 -4.91 117.35 112.70 1afp s TYR 29 Ca 0.74 0.03 0.00 0.00 -2.44 0.00 0.00 57.07 55.40 1afp s TYR 29 Cb -0.06 0.50 0.00 0.00 0.35 0.00 0.00 41.96 42.75 1afp s TYR 29 CO 0.55 -0.01 0.00 0.28 -1.34 0.00 0.00 175.55 175.02 1afp n VAL 30 N 0.71 0.00 -3.56 3.14 0.31 -1.26 -4.22 118.33 113.45 1afp n VAL 30 Ca -0.02 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.93 1afp n VAL 30 Cb 0.59 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.47 1afp n VAL 30 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1afp s LYS 31 N 0.00 3.51 1.00 5.55 1.02 -1.26 -5.06 119.74 124.50 1afp s LYS 31 Ca 0.00 -3.26 -0.17 0.00 0.02 0.00 0.00 55.97 52.56 1afp s LYS 31 Cb 0.00 -4.11 -0.14 0.00 -0.52 0.00 0.00 37.83 33.06 1afp s LYS 31 CO 0.00 -1.26 -0.77 1.17 -0.92 0.00 0.00 175.35 173.57 1afp n LYS 32 N 2.44 -0.01 -1.74 1.68 4.81 -1.26 -4.66 118.16 119.42 1afp n LYS 32 Ca 0.22 -0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.24 1afp n LYS 32 Cb 0.38 -1.03 -0.01 0.00 0.02 0.00 0.00 35.03 34.38 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 4.33 0.30 0.00 0.00 0.13 -1.90 -3.41 132.00 131.45 1afp h PRO 34 Ca -0.47 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 1afp h PRO 34 Cb 1.24 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1afp h PRO 34 CO 0.76 0.97 0.00 2.89 -0.23 0.00 0.00 178.00 182.39 1afp n ARG 35 N -3.74 0.00 -1.49 0.86 1.85 -1.26 -4.90 116.66 107.98 1afp n ARG 35 Ca -0.04 0.00 -0.57 0.00 -1.00 0.00 0.00 57.85 56.24 1afp n ARG 35 Cb 0.77 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 32.11 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 -0.15 0.00 2.89 8.00 -1.25 -0.04 116.55 126.00 1afp n ASP 36 Ca 0.00 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.65 1afp n ASP 36 Cb 0.00 -0.94 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 1afp n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1afp n GLY 37 N 1.62 2.59 3.68 0.44 0.00 -0.62 -4.97 105.19 107.93 1afp n GLY 37 Ca 0.20 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.91 0.97 -1.76 4.61 0.00 0.94 -4.60 120.51 118.77 1afp n ALA 38 Ca 0.00 0.28 -0.37 0.00 0.00 0.00 0.00 53.44 53.35 1afp n ALA 38 Cb 0.00 -2.52 0.02 0.00 0.00 0.00 0.00 19.45 16.94 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 4.10 3.34 0.19 0.00 2.36 -1.26 0.15 119.74 128.62 1afp s LYS 39 Ca 0.92 1.87 -0.22 0.00 -2.55 0.00 0.00 55.97 55.99 1afp s LYS 39 Cb -0.66 -2.18 0.05 0.00 -1.05 0.00 0.00 37.83 33.99 1afp s LYS 39 CO 0.50 -0.92 0.61 0.00 1.55 0.00 0.00 175.35 177.09 1afp s GLU 41 N -3.80 1.32 -0.28 0.00 1.03 -1.26 0.10 118.70 115.82 1afp s GLU 41 Ca 0.04 -0.36 -0.17 0.00 0.03 0.00 0.00 54.97 54.50 1afp s GLU 41 Cb -0.02 -1.16 -0.02 0.00 -0.80 0.00 0.00 34.13 32.12 1afp s GLU 41 CO -0.08 0.07 0.50 0.12 -1.33 0.00 0.00 175.26 174.54 1afp s PHE 42 N 0.44 3.25 -0.13 4.83 5.36 0.11 -2.98 117.98 128.85 1afp s PHE 42 Ca -0.09 0.53 -0.29 0.00 -0.96 0.00 0.00 56.93 56.13 1afp s PHE 42 Cb -0.12 -2.73 -0.01 0.00 -0.34 0.00 0.00 43.02 39.81 1afp s PHE 42 CO 0.02 -0.32 0.99 -0.51 -1.46 0.00 0.00 175.22 173.95 1afp s ASP 43 N 1.60 7.19 -0.14 6.13 1.11 -1.25 -1.18 116.67 130.13 1afp s ASP 43 Ca 0.20 1.47 0.06 0.00 0.18 0.00 0.00 52.55 54.46 1afp s ASP 43 Cb -0.16 -2.54 0.41 0.00 1.07 0.00 0.00 42.92 41.70 1afp s ASP 43 CO 0.10 -0.48 1.18 -1.54 1.18 0.00 0.00 175.17 175.61 1afp n SER 44 N 5.26 3.42 -0.05 0.27 3.41 -1.26 -2.15 113.62 122.52 1afp n SER 44 Ca 0.09 -2.52 -0.02 0.00 -0.26 0.00 0.00 58.87 56.16 1afp n SER 44 Cb 0.48 -0.61 -0.12 0.00 -0.26 0.00 0.00 64.21 63.70 1afp n SER 44 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1afp n TYR 45 N 0.24 0.00 0.03 7.33 4.01 -1.26 -4.83 117.16 122.68 1afp n TYR 45 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 1afp n TYR 45 Cb 0.78 -0.61 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 1afp n TYR 45 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1afp n LYS 46 N -2.38 0.00 0.00 -0.72 5.02 -1.24 -5.06 118.16 113.78 1afp n LYS 46 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 1afp n LYS 46 Cb 0.79 -0.33 0.00 0.00 -0.02 0.00 0.00 35.03 35.47 1afp n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1afp n GLY 47 N 2.59 1.73 3.80 0.72 0.00 -0.92 -5.11 105.19 108.00 1afp n GLY 47 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1afp n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1afp n LYS 48 N -0.50 -0.21 -4.02 1.61 4.01 -1.26 -4.97 118.16 112.82 1afp n LYS 48 Ca 0.00 -2.60 -0.31 0.00 -0.51 0.00 0.00 58.31 54.89 1afp n LYS 48 Cb 0.00 -0.71 -0.15 0.00 -0.51 0.00 0.00 35.03 33.66 1afp n LYS 48 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1afp n TYR 50 N 4.27 0.95 0.00 0.00 4.02 -1.16 -4.47 117.16 120.77 1afp n TYR 50 Ca 0.02 -1.94 0.00 0.00 -0.01 0.00 0.00 57.90 55.98 1afp n TYR 50 Cb 0.42 -1.79 0.00 0.00 -0.02 0.00 0.00 39.34 37.95 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85