#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 4.46 0.54 0.00 2.01 -1.26 -4.20 115.64 117.18 1afp s THR 2 Ca 0.00 1.40 0.07 0.00 0.31 0.00 0.00 61.69 63.47 1afp s THR 2 Cb 0.00 -3.79 0.04 0.00 0.01 0.00 0.00 72.50 68.77 1afp s THR 2 CO 0.00 -0.01 0.52 -0.31 -0.69 0.00 0.00 174.62 174.12 1afp s TYR 3 N -1.79 1.71 0.02 4.92 2.02 -0.41 -4.90 117.35 118.92 1afp s TYR 3 Ca 0.51 -0.76 -0.01 0.00 -0.37 0.00 0.00 57.07 56.44 1afp s TYR 3 Cb -0.14 -2.04 -0.02 0.00 -0.40 0.00 0.00 41.96 39.36 1afp s TYR 3 CO 0.19 -0.63 -0.00 -0.80 -1.57 0.00 0.00 175.55 172.74 1afp s ASN 4 N -4.37 0.23 0.00 2.29 -0.87 -1.26 -2.45 114.94 108.51 1afp s ASN 4 Ca 0.44 -0.51 0.00 0.00 -1.57 0.00 0.00 52.86 51.22 1afp s ASN 4 Cb -0.03 0.13 0.00 0.00 -0.02 0.00 0.00 41.25 41.32 1afp s ASN 4 CO 0.27 -0.34 0.00 0.61 -2.57 0.00 0.00 177.10 175.07 1afp n GLY 5 N 1.41 1.28 3.06 0.66 0.00 0.70 -4.32 105.19 107.98 1afp n GLY 5 Ca -0.23 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 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 4.00 0.35 0.17 1.61 1.02 0.21 -1.97 119.74 125.13 1afp s LYS 6 Ca 0.00 -0.20 0.10 0.00 0.02 0.00 0.00 55.97 55.89 1afp s LYS 6 Cb 0.00 0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 37.41 1afp s LYS 6 CO 0.00 -0.07 -0.18 0.00 -0.92 0.00 0.00 175.35 174.18 1afp s TYR 8 N -1.55 2.73 -0.08 0.00 2.02 0.28 -2.16 117.35 118.59 1afp s TYR 8 Ca 0.21 -0.18 -0.25 0.00 -0.37 0.00 0.00 57.07 56.48 1afp s TYR 8 Cb -0.09 -1.65 -0.27 0.00 -0.40 0.00 0.00 41.96 39.55 1afp s TYR 8 CO 0.12 0.16 0.91 1.57 -1.57 0.00 0.00 175.55 176.74 1afp h LYS 9 N 5.45 0.16 -1.01 -0.62 5.09 -1.82 2.22 116.57 126.04 1afp h LYS 9 Ca -0.45 -0.23 0.16 0.00 0.09 0.00 0.00 60.65 60.22 1afp h LYS 9 Cb 1.16 0.08 -0.10 0.00 0.10 0.00 0.00 32.23 33.47 1afp h LYS 9 CO 0.51 1.05 0.62 -0.22 -2.09 0.00 0.00 179.45 179.32 1afp h LYS 10 N -0.60 0.85 -0.01 0.07 3.64 -1.94 0.16 116.57 118.73 1afp h LYS 10 Ca -0.06 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1afp h LYS 10 Cb 1.20 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1afp h LYS 10 CO 0.07 0.56 -0.50 -0.25 -2.27 0.00 0.00 179.45 177.06 1afp n ASP 11 N -4.69 1.75 -4.20 4.20 10.43 -1.23 -4.97 116.55 117.84 1afp n ASP 11 Ca 0.21 -1.38 -0.33 0.00 2.57 0.00 0.00 54.79 55.87 1afp n ASP 11 Cb 0.47 0.55 -0.07 0.00 1.84 0.00 0.00 41.12 43.91 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 -0.26 -0.02 -4.12 -2.24 5.15 0.73 -4.85 115.26 109.65 1afp n ASN 12 Ca 0.08 -1.22 -0.12 0.00 -0.60 0.00 0.00 54.58 52.71 1afp n ASN 12 Cb 0.41 -1.51 -0.11 0.00 -0.53 0.00 0.00 39.78 38.04 1afp n ASN 12 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1afp s ILE 13 N -4.18 0.67 -0.41 -1.44 -5.25 0.09 -1.03 121.20 109.64 1afp s ILE 13 Ca 0.09 -1.48 -0.13 0.00 -0.99 0.00 0.00 60.65 58.15 1afp s ILE 13 Cb -0.05 -1.12 0.04 0.00 2.95 0.00 0.00 42.46 44.28 1afp s ILE 13 CO 0.94 -0.58 0.28 0.00 -1.79 0.00 0.00 174.94 173.79 1afp s LYS 15 N 1.60 4.28 0.02 0.00 2.36 0.56 0.19 119.74 128.77 1afp s LYS 15 Ca 0.04 0.21 -0.28 0.00 -2.55 0.00 0.00 55.97 53.39 1afp s LYS 15 Cb -0.20 -3.43 0.09 0.00 -1.05 0.00 0.00 37.83 33.24 1afp s LYS 15 CO 0.07 0.20 0.81 1.52 1.55 0.00 0.00 175.35 179.50 1afp s TYR 16 N 0.56 -0.42 0.00 4.03 1.13 -1.26 0.66 117.35 122.04 1afp s TYR 16 Ca 0.20 0.34 0.00 0.00 -1.41 0.00 0.00 57.07 56.20 1afp s TYR 16 Cb -0.14 0.53 0.00 0.00 -1.10 0.00 0.00 41.96 41.25 1afp s TYR 16 CO 0.06 -0.61 0.00 1.63 -2.51 0.00 0.00 175.55 174.12 1afp n LYS 17 N -0.12 0.00 0.00 -3.49 4.76 -1.26 -3.94 118.16 114.11 1afp n LYS 17 Ca -0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1afp n LYS 17 Cb 0.62 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.81 1afp n LYS 17 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1afp n ALA 18 N -3.00 0.00 0.31 7.82 0.00 -1.26 -3.83 120.51 120.55 1afp n ALA 18 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1afp n ALA 18 Cb 0.00 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.22 1afp n ALA 18 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1afp h GLN 19 N 0.00 0.00 0.00 0.00 4.15 -1.97 -1.19 115.11 116.10 1afp h GLN 19 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1afp h GLN 19 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1afp h GLN 19 CO 0.00 0.00 -0.30 -1.13 -1.93 0.00 0.00 178.83 175.47 1afp n SER 20 N -2.77 0.00 -1.90 -0.69 3.41 -1.26 -4.98 113.62 105.42 1afp n SER 20 Ca -0.02 -1.60 -0.20 0.00 -0.26 0.00 0.00 58.87 56.79 1afp n SER 20 Cb 0.35 -0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 64.13 1afp n SER 20 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1afp n GLY 21 N 0.00 0.89 0.13 5.00 0.00 -0.45 -4.85 105.19 105.91 1afp n GLY 21 Ca 0.00 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.65 0.69 -0.58 1.61 4.81 -1.26 -4.85 118.16 115.92 1afp n LYS 22 Ca -0.22 0.38 -0.19 0.00 -0.87 0.00 0.00 58.31 57.41 1afp n LYS 22 Cb 0.68 -1.72 0.16 0.00 0.02 0.00 0.00 35.03 34.17 1afp n LYS 22 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1afp n THR 23 N -3.84 0.00 0.00 3.15 5.66 -1.25 -5.05 114.28 112.95 1afp n THR 23 Ca -0.32 -0.26 0.00 0.00 -3.05 0.00 0.00 64.05 60.42 1afp n THR 23 Cb 0.91 -1.07 0.00 0.00 -1.55 0.00 0.00 70.33 68.62 1afp n THR 23 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1afp n ALA 24 N -4.28 0.00 -1.62 1.79 0.00 -1.25 -4.71 120.51 110.45 1afp n ALA 24 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1afp n ALA 24 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1afp n ALA 24 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1afp n ILE 25 N 0.00 -4.87 -3.21 0.00 5.41 -1.20 -4.92 119.36 110.57 1afp n ILE 25 Ca 0.00 2.24 -0.01 0.00 1.00 0.00 0.00 62.75 65.98 1afp n ILE 25 Cb 0.00 -3.18 -0.03 0.00 -0.71 0.00 0.00 39.64 35.72 1afp n ILE 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1afp n LYS 27 N 5.40 0.00 -3.10 0.00 4.81 -1.26 0.91 118.16 124.92 1afp n LYS 27 Ca 0.01 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 57.01 1afp n LYS 27 Cb 0.52 -0.82 -0.05 0.00 0.02 0.00 0.00 35.03 34.70 1afp n LYS 27 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1afp n TYR 29 N 6.43 0.79 0.00 0.00 4.11 -1.26 -4.71 117.16 122.52 1afp n TYR 29 Ca -0.09 -0.35 0.00 0.00 -0.00 0.00 0.00 57.90 57.46 1afp n TYR 29 Cb 0.43 -0.09 0.00 0.00 -0.00 0.00 0.00 39.34 39.68 1afp n TYR 29 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.86 178.19 1afp n VAL 30 N 0.76 0.00 -3.99 -3.48 0.24 -1.26 -5.03 118.33 105.56 1afp n VAL 30 Ca 0.16 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.11 1afp n VAL 30 Cb 0.51 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.75 1afp n VAL 30 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1afp s LYS 31 N 1.46 3.70 0.45 7.34 2.20 -1.26 -5.06 119.74 128.56 1afp s LYS 31 Ca 0.00 -0.48 -0.19 0.00 -0.36 0.00 0.00 55.97 54.94 1afp s LYS 31 Cb 0.00 -3.16 -0.15 0.00 -1.51 0.00 0.00 37.83 33.01 1afp s LYS 31 CO 0.00 0.01 -0.03 1.17 -0.36 0.00 0.00 175.35 176.14 1afp n LYS 32 N 4.27 0.00 -2.28 4.03 4.81 -1.26 -4.74 118.16 122.98 1afp n LYS 32 Ca -0.17 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 56.91 1afp n LYS 32 Cb 0.52 -0.98 -0.01 0.00 0.02 0.00 0.00 35.03 34.58 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 1.68 -0.01 -1.54 0.00 0.13 -1.88 -3.39 132.00 126.98 1afp h PRO 34 Ca -0.50 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.71 1afp h PRO 34 Cb 1.25 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.12 1afp h PRO 34 CO 0.59 0.71 0.52 -0.98 -0.23 0.00 0.00 178.00 178.61 1afp s ARG 35 N -3.18 0.48 -0.22 0.86 1.70 -1.26 -4.80 118.95 112.53 1afp s ARG 35 Ca -0.17 0.45 -0.40 0.00 -0.47 0.00 0.00 55.73 55.14 1afp s ARG 35 Cb -0.01 0.23 -0.18 0.00 -0.57 0.00 0.00 34.95 34.42 1afp s ARG 35 CO 0.66 -0.08 1.22 -0.40 -1.08 0.00 0.00 175.30 175.62 1afp n ASP 36 N 1.82 0.54 0.00 -2.89 5.68 -1.26 0.07 116.55 120.50 1afp n ASP 36 Ca -0.12 1.08 0.00 0.00 -0.50 0.00 0.00 54.79 55.25 1afp n ASP 36 Cb 0.56 -0.83 0.00 0.00 -1.14 0.00 0.00 41.12 39.72 1afp n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1afp n GLY 37 N 2.50 2.40 3.62 6.12 0.00 -0.92 -4.99 105.19 113.93 1afp n GLY 37 Ca 0.23 0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.60 -0.60 -1.71 4.61 0.00 0.11 -4.43 120.51 117.88 1afp n ALA 38 Ca 0.00 0.37 -0.37 0.00 0.00 0.00 0.00 53.44 53.44 1afp n ALA 38 Cb 0.00 -2.07 0.06 0.00 0.00 0.00 0.00 19.45 17.45 1afp n ALA 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1afp n LYS 39 N 5.31 1.18 -3.53 0.00 4.81 -1.26 0.75 118.16 125.42 1afp n LYS 39 Ca 0.35 0.45 -0.11 0.00 -0.87 0.00 0.00 58.31 58.14 1afp n LYS 39 Cb 0.01 -2.47 -0.02 0.00 0.02 0.00 0.00 35.03 32.56 1afp n LYS 39 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1afp s GLU 41 N -3.79 0.16 -0.29 0.00 1.03 -1.20 -0.22 118.70 114.39 1afp s GLU 41 Ca 0.03 -0.03 -0.13 0.00 0.03 0.00 0.00 54.97 54.87 1afp s GLU 41 Cb -0.02 -0.21 -0.03 0.00 -0.80 0.00 0.00 34.13 33.07 1afp s GLU 41 CO -0.09 0.00 0.30 0.12 -1.33 0.00 0.00 175.26 174.26 1afp s PHE 42 N 0.19 3.23 0.06 4.83 2.19 -1.03 -2.49 117.98 124.96 1afp s PHE 42 Ca -0.02 0.17 -0.25 0.00 0.33 0.00 0.00 56.93 57.17 1afp s PHE 42 Cb -0.04 -2.52 -0.06 0.00 -1.31 0.00 0.00 43.02 39.09 1afp s PHE 42 CO -0.01 -0.26 0.77 -0.51 1.83 0.00 0.00 175.22 177.04 1afp s ASP 43 N 1.71 7.24 -0.03 6.13 1.11 -1.26 -1.29 116.67 130.28 1afp s ASP 43 Ca 0.11 1.48 0.17 0.00 0.18 0.00 0.00 52.55 54.49 1afp s ASP 43 Cb -0.16 -2.47 0.55 0.00 1.07 0.00 0.00 42.92 41.90 1afp s ASP 43 CO 0.11 0.04 1.45 -1.54 1.18 0.00 0.00 175.17 176.41 1afp n SER 44 N 2.65 3.42 0.05 0.27 3.41 -1.26 -2.38 113.62 119.77 1afp n SER 44 Ca -0.03 -2.10 -0.15 0.00 -0.26 0.00 0.00 58.87 56.33 1afp n SER 44 Cb 0.50 -0.43 -0.14 0.00 -0.26 0.00 0.00 64.21 63.88 1afp n SER 44 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1afp h TYR 45 N 3.46 0.35 0.00 7.33 0.05 -1.92 -3.43 116.97 122.81 1afp h TYR 45 Ca 0.00 -0.26 0.00 0.00 0.05 0.00 0.00 58.73 58.52 1afp h TYR 45 Cb 0.92 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.65 1afp h TYR 45 CO 0.47 1.31 -0.41 1.63 -1.05 0.00 0.00 178.16 180.11 1afp n LYS 46 N -3.39 0.00 0.00 4.88 5.02 -1.26 -5.05 118.16 118.36 1afp n LYS 46 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 1afp n LYS 46 Cb 1.03 -0.42 0.00 0.00 -0.02 0.00 0.00 35.03 35.63 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 2.20 1.75 0.00 0.72 0.00 -1.00 -5.11 105.19 103.75 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 -0.41 -0.69 -3.40 1.61 5.02 -1.26 -4.91 118.16 114.13 1afp n LYS 48 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 1afp n LYS 48 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 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 4.07 1.14 1.82 0.00 4.02 -1.04 -4.62 117.16 122.56 1afp n TYR 50 Ca 0.12 -1.33 0.15 0.00 -0.01 0.00 0.00 57.90 56.83 1afp n TYR 50 Cb 0.42 -1.34 0.87 0.00 -0.02 0.00 0.00 39.34 39.26 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85