#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 4.32 -0.25 0.00 2.01 -1.26 -4.08 115.64 116.38 1afp s THR 2 Ca 0.00 1.87 -0.05 0.00 0.31 0.00 0.00 61.69 63.82 1afp s THR 2 Cb 0.00 -4.22 0.00 0.00 0.01 0.00 0.00 72.50 68.29 1afp s THR 2 CO 0.00 0.48 0.01 -0.31 -0.69 0.00 0.00 174.62 174.10 1afp s TYR 3 N -0.91 3.06 0.40 4.92 2.02 -0.66 -4.86 117.35 121.32 1afp s TYR 3 Ca 0.39 -1.00 -0.06 0.00 -0.37 0.00 0.00 57.07 56.03 1afp s TYR 3 Cb -0.24 -2.16 -0.05 0.00 -0.40 0.00 0.00 41.96 39.11 1afp s TYR 3 CO 0.28 -0.57 0.70 -0.80 -1.57 0.00 0.00 175.55 173.60 1afp s ASN 4 N 1.47 6.38 0.00 2.29 0.02 -1.26 0.36 114.94 124.20 1afp s ASN 4 Ca 0.04 0.88 0.00 0.00 -1.02 0.00 0.00 52.86 52.76 1afp s ASN 4 Cb -0.16 -2.22 0.00 0.00 0.02 0.00 0.00 41.25 38.89 1afp s ASN 4 CO -0.01 -0.41 0.00 0.61 0.02 0.00 0.00 177.10 177.31 1afp n GLY 5 N -1.66 0.33 3.26 0.66 0.00 -0.36 -4.26 105.19 103.16 1afp n GLY 5 Ca -0.00 0.36 -0.11 0.00 0.00 0.00 0.00 46.02 46.27 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 3.91 1.20 0.04 1.61 1.02 0.33 -2.70 119.74 125.14 1afp s LYS 6 Ca 0.00 -1.49 -0.02 0.00 0.02 0.00 0.00 55.97 54.48 1afp s LYS 6 Cb 0.00 0.31 -0.03 0.00 -0.52 0.00 0.00 37.83 37.59 1afp s LYS 6 CO 0.00 -0.41 -0.00 0.00 -0.92 0.00 0.00 175.35 174.02 1afp s TYR 8 N -2.68 2.74 0.05 0.00 2.02 -0.31 -1.48 117.35 117.69 1afp s TYR 8 Ca -0.05 -1.09 -0.22 0.00 -0.37 0.00 0.00 57.07 55.34 1afp s TYR 8 Cb -0.01 -1.85 -0.14 0.00 -0.40 0.00 0.00 41.96 39.56 1afp s TYR 8 CO -0.05 -0.49 1.52 1.57 -1.57 0.00 0.00 175.55 176.52 1afp h LYS 9 N 7.23 0.15 0.21 -0.62 5.09 -1.83 2.53 116.57 129.33 1afp h LYS 9 Ca -0.31 -0.04 0.01 0.00 0.09 0.00 0.00 60.65 60.39 1afp h LYS 9 Cb 1.20 -0.02 -0.04 0.00 0.10 0.00 0.00 32.23 33.47 1afp h LYS 9 CO 0.56 0.36 -0.53 -0.22 -2.09 0.00 0.00 179.45 177.53 1afp h LYS 10 N -0.08 -0.79 0.00 0.07 3.64 -1.95 0.12 116.57 117.58 1afp h LYS 10 Ca 0.03 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1afp h LYS 10 Cb 0.28 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1afp h LYS 10 CO 0.00 -0.53 0.00 -0.25 -2.27 0.00 0.00 179.45 176.40 1afp n ASP 11 N -5.51 0.00 -4.04 4.20 10.43 -1.20 -4.90 116.55 115.52 1afp n ASP 11 Ca -0.09 -0.39 -0.39 0.00 2.57 0.00 0.00 54.79 56.49 1afp n ASP 11 Cb 0.43 -0.19 0.01 0.00 1.84 0.00 0.00 41.12 43.20 1afp n ASP 11 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1afp n ASN 12 N -1.19 -3.00 -3.58 -2.24 2.85 0.83 -4.76 115.26 104.17 1afp n ASN 12 Ca 0.17 -1.11 -0.22 0.00 -0.11 0.00 0.00 54.58 53.31 1afp n ASN 12 Cb 0.19 -1.33 -0.08 0.00 1.24 0.00 0.00 39.78 39.80 1afp n ASN 12 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1afp s ILE 13 N -3.81 0.17 -0.16 -1.44 -5.25 -0.22 -0.21 121.20 110.29 1afp s ILE 13 Ca 0.38 -2.00 -0.01 0.00 -0.99 0.00 0.00 60.65 58.02 1afp s ILE 13 Cb -0.21 -2.43 0.05 0.00 2.95 0.00 0.00 42.46 42.81 1afp s ILE 13 CO 0.83 0.00 -0.01 0.00 -1.79 0.00 0.00 174.94 173.96 1afp s LYS 15 N 1.76 4.12 0.28 0.00 -2.85 0.58 0.52 119.74 124.15 1afp s LYS 15 Ca 0.01 0.09 -0.09 0.00 -1.00 0.00 0.00 55.97 54.98 1afp s LYS 15 Cb -0.15 -3.56 -0.00 0.00 -2.06 0.00 0.00 37.83 32.05 1afp s LYS 15 CO -0.07 -0.08 0.48 1.52 0.10 0.00 0.00 175.35 177.30 1afp s TYR 16 N 1.45 0.61 0.81 1.78 1.13 0.35 -0.52 117.35 122.96 1afp s TYR 16 Ca 0.16 -0.95 -0.11 0.00 -1.41 0.00 0.00 57.07 54.76 1afp s TYR 16 Cb -0.15 0.11 0.08 0.00 -1.10 0.00 0.00 41.96 40.90 1afp s TYR 16 CO 0.08 -1.06 1.09 0.15 -2.51 0.00 0.00 175.55 173.30 1afp s LYS 17 N -3.60 1.96 -0.39 -3.49 1.02 -1.26 0.18 119.74 114.16 1afp s LYS 17 Ca 0.25 0.85 0.05 0.00 0.02 0.00 0.00 55.97 57.14 1afp s LYS 17 Cb -0.00 -1.89 0.47 0.00 -0.52 0.00 0.00 37.83 35.89 1afp s LYS 17 CO 0.13 -1.76 1.50 0.00 -0.92 0.00 0.00 175.35 174.30 1afp n ALA 18 N -3.56 5.19 0.00 5.17 0.00 -1.26 -4.34 120.51 121.71 1afp n ALA 18 Ca 0.07 -3.52 0.00 0.00 0.00 0.00 0.00 53.44 49.99 1afp n ALA 18 Cb 0.55 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.89 0.00 -0.41 0.00 0.00 -1.26 -4.28 117.38 110.54 1afp n GLN 19 Ca 0.46 0.00 0.35 0.00 -0.00 0.00 0.00 57.00 57.82 1afp n GLN 19 Cb 0.92 0.00 0.68 0.00 0.00 0.00 0.00 30.24 31.84 1afp n GLN 19 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1afp h SER 20 N 0.00 0.17 0.00 1.69 4.64 -1.98 -3.43 113.55 114.63 1afp h SER 20 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1afp h SER 20 Cb 0.00 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1afp h SER 20 CO 0.00 -0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.55 1afp n GLY 21 N -1.66 1.53 0.00 -0.77 0.00 -1.26 -5.07 105.19 97.95 1afp n GLY 21 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.71 1.61 4.81 -1.26 -4.83 118.16 114.77 1afp n LYS 22 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 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 0.01 -0.29 3.15 2.01 -1.26 -4.38 115.64 114.87 1afp s THR 23 Ca 0.00 -0.69 -0.15 0.00 0.31 0.00 0.00 61.69 61.16 1afp s THR 23 Cb 0.00 -1.62 0.14 0.00 0.01 0.00 0.00 72.50 71.03 1afp s THR 23 CO 0.00 -0.04 0.89 0.00 -0.69 0.00 0.00 174.62 174.78 1afp s ALA 24 N -3.87 -2.29 -0.12 7.40 0.00 0.47 -4.17 121.76 119.18 1afp s ALA 24 Ca 0.08 2.22 -0.05 0.00 0.00 0.00 0.00 51.96 54.22 1afp s ALA 24 Cb -0.03 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 1afp s ALA 24 CO -0.01 -0.58 0.05 0.42 0.00 0.00 0.00 175.76 175.65 1afp s ILE 25 N 1.86 4.75 -0.21 0.00 1.01 -1.26 -0.50 121.20 126.86 1afp s ILE 25 Ca -0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.49 1afp s ILE 25 Cb -0.05 -3.06 0.06 0.00 0.01 0.00 0.00 42.46 39.42 1afp s ILE 25 CO -0.17 0.57 0.02 0.00 0.00 0.00 0.00 174.94 175.36 1afp n LYS 27 N 4.96 0.00 -3.66 0.00 5.02 -1.26 -0.11 118.16 123.12 1afp n LYS 27 Ca -0.09 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.90 1afp n LYS 27 Cb 0.46 -0.96 -0.04 0.00 -0.02 0.00 0.00 35.03 34.47 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afp n TYR 29 N -0.16 -2.31 -0.32 0.00 9.36 -1.26 -4.84 117.16 117.64 1afp n TYR 29 Ca -0.03 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.18 1afp n TYR 29 Cb 0.52 0.00 0.03 0.00 -0.63 0.00 0.00 39.34 39.27 1afp n TYR 29 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 1afp n VAL 30 N -1.05 -0.43 -1.55 2.97 0.24 -1.26 -2.93 118.33 114.32 1afp n VAL 30 Ca 0.00 1.93 -0.16 0.00 -2.04 0.00 0.00 64.34 64.07 1afp n VAL 30 Cb 0.00 -2.55 -0.12 0.00 -1.47 0.00 0.00 33.84 29.70 1afp n VAL 30 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1afp n LYS 31 N -5.21 0.14 -1.16 7.34 4.76 -1.26 -4.87 118.16 117.89 1afp n LYS 31 Ca 0.08 -1.71 -0.35 0.00 -2.87 0.00 0.00 58.31 53.47 1afp n LYS 31 Cb 0.33 -3.89 0.10 0.00 -1.84 0.00 0.00 35.03 29.72 1afp n LYS 31 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1afp n LYS 32 N 8.14 0.21 -2.08 1.97 4.81 -1.15 -4.69 118.16 125.37 1afp n LYS 32 Ca 0.41 0.13 -0.36 0.00 -0.87 0.00 0.00 58.31 57.62 1afp n LYS 32 Cb 0.47 -2.06 0.02 0.00 0.02 0.00 0.00 35.03 33.48 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 0.97 0.28 -1.35 0.00 0.13 -1.90 -3.39 132.00 126.74 1afp h PRO 34 Ca -0.50 -0.28 0.13 0.00 -0.87 0.00 0.00 66.00 64.48 1afp h PRO 34 Cb 1.29 0.07 -0.29 0.00 0.13 0.00 0.00 31.00 32.20 1afp h PRO 34 CO 0.56 0.96 0.63 -0.98 -0.23 0.00 0.00 178.00 178.94 1afp s ARG 35 N -3.30 0.29 0.07 0.86 1.70 -1.26 -4.84 118.95 112.46 1afp s ARG 35 Ca -0.15 0.37 -0.22 0.00 -0.47 0.00 0.00 55.73 55.26 1afp s ARG 35 Cb 0.02 0.13 -0.12 0.00 -0.57 0.00 0.00 34.95 34.41 1afp s ARG 35 CO 0.77 -0.04 0.51 -3.47 -1.08 0.00 0.00 175.30 171.99 1afp n ASP 36 N 2.22 -0.47 0.00 -2.89 2.03 -1.25 0.38 116.55 116.57 1afp n ASP 36 Ca -0.13 0.76 0.00 0.00 0.52 0.00 0.00 54.79 55.95 1afp n ASP 36 Cb 0.56 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 1afp n ASP 36 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1afp n GLY 37 N 1.19 3.12 3.71 0.27 0.00 -0.55 -4.97 105.19 107.96 1afp n GLY 37 Ca 0.13 0.00 -0.66 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.72 -1.61 -1.76 4.61 0.00 0.16 -4.28 120.51 116.90 1afp n ALA 38 Ca 0.00 0.51 -0.37 0.00 0.00 0.00 0.00 53.44 53.57 1afp n ALA 38 Cb 0.00 -1.92 0.01 0.00 0.00 0.00 0.00 19.45 17.54 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 2.56 3.56 0.37 0.00 2.20 -1.26 0.13 119.74 127.31 1afp s LYS 39 Ca 1.02 1.92 -0.08 0.00 -0.36 0.00 0.00 55.97 58.48 1afp s LYS 39 Cb -1.43 -2.36 0.03 0.00 -1.51 0.00 0.00 37.83 32.56 1afp s LYS 39 CO 0.77 -0.75 0.63 0.00 -0.36 0.00 0.00 175.35 175.63 1afp s GLU 41 N -2.61 0.33 -0.40 0.00 1.03 -1.26 -1.23 118.70 114.56 1afp s GLU 41 Ca 0.24 0.39 -0.12 0.00 0.03 0.00 0.00 54.97 55.51 1afp s GLU 41 Cb -0.03 0.16 0.04 0.00 -0.80 0.00 0.00 34.13 33.50 1afp s GLU 41 CO 0.17 -0.04 0.26 0.12 -1.33 0.00 0.00 175.26 174.44 1afp s PHE 42 N 0.16 3.26 0.11 4.83 2.19 0.16 -2.99 117.98 125.70 1afp s PHE 42 Ca -0.00 -1.02 -0.30 0.00 0.33 0.00 0.00 56.93 55.93 1afp s PHE 42 Cb -0.02 -2.68 -0.06 0.00 -1.31 0.00 0.00 43.02 38.95 1afp s PHE 42 CO 0.00 -0.71 1.16 0.34 1.83 0.00 0.00 175.22 177.84 1afp s ASP 43 N 1.85 7.15 0.00 6.13 -1.08 -1.26 -1.66 116.67 127.80 1afp s ASP 43 Ca 0.03 2.05 0.26 0.00 -0.52 0.00 0.00 52.55 54.36 1afp s ASP 43 Cb -0.21 -2.59 0.53 0.00 -1.46 0.00 0.00 42.92 39.20 1afp s ASP 43 CO 0.06 -0.37 1.45 -1.54 0.52 0.00 0.00 175.17 175.29 1afp n SER 44 N 3.26 2.16 0.10 -0.34 3.41 -1.26 -2.61 113.62 118.34 1afp n SER 44 Ca 0.06 -1.66 0.11 0.00 -0.26 0.00 0.00 58.87 57.13 1afp n SER 44 Cb 0.46 0.07 0.45 0.00 -0.26 0.00 0.00 64.21 64.93 1afp n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1afp n TYR 45 N 0.57 0.66 0.14 7.33 4.11 -1.26 -4.54 117.16 124.17 1afp n TYR 45 Ca 0.15 0.24 0.00 0.00 -0.00 0.00 0.00 57.90 58.29 1afp n TYR 45 Cb 0.47 -0.89 0.00 0.00 -0.00 0.00 0.00 39.34 38.92 1afp n TYR 45 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1afp n LYS 46 N -2.08 0.00 0.00 -3.48 5.02 -1.26 -5.08 118.16 111.28 1afp n LYS 46 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1afp n LYS 46 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.27 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 0.32 0.72 0.00 0.72 0.00 -1.07 -5.12 105.19 100.75 1afp n GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 2.89 -3.46 1.61 5.02 -1.25 -5.03 118.16 117.94 1afp n LYS 48 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1afp n LYS 48 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 34.89 1afp n LYS 48 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afp n TYR 50 N 4.10 0.83 1.49 0.00 4.02 -1.16 -4.46 117.16 121.96 1afp n TYR 50 Ca 0.11 -1.39 0.14 0.00 -0.01 0.00 0.00 57.90 56.75 1afp n TYR 50 Cb 0.38 -1.26 0.51 0.00 -0.02 0.00 0.00 39.34 38.95 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85