#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 2.38 0.00 0.00 2.01 -1.26 -4.52 115.64 114.25 1afp s THR 2 Ca 0.00 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1afp s THR 2 Cb 0.00 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.31 1afp s THR 2 CO 0.00 0.05 0.00 -1.22 -0.69 0.00 0.00 174.62 172.76 1afp n TYR 3 N 2.58 -1.50 -3.63 4.92 4.01 -1.12 -4.83 117.16 117.60 1afp n TYR 3 Ca 0.09 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.67 1afp n TYR 3 Cb 0.39 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.34 1afp n TYR 3 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1afp s ASN 4 N -1.00 -0.49 0.00 7.72 0.01 -1.26 -3.50 114.94 116.42 1afp s ASN 4 Ca 0.00 0.58 0.00 0.00 -0.71 0.00 0.00 52.86 52.73 1afp s ASN 4 Cb 0.00 0.57 0.00 0.00 0.41 0.00 0.00 41.25 42.23 1afp s ASN 4 CO 0.00 -0.48 0.00 0.61 -1.51 0.00 0.00 177.10 175.72 1afp n GLY 5 N 1.36 1.54 3.25 0.66 0.00 0.81 -4.27 105.19 108.53 1afp n GLY 5 Ca -0.19 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 4.21 0.94 0.11 1.61 1.02 0.50 -2.76 119.74 125.36 1afp s LYS 6 Ca 0.00 -0.91 0.03 0.00 0.02 0.00 0.00 55.97 55.11 1afp s LYS 6 Cb 0.00 0.38 -0.04 0.00 -0.52 0.00 0.00 37.83 37.65 1afp s LYS 6 CO 0.00 -0.32 -0.08 0.00 -0.92 0.00 0.00 175.35 174.02 1afp s TYR 8 N -3.14 2.61 -0.21 0.00 2.02 -0.62 -1.48 117.35 116.53 1afp s TYR 8 Ca 0.10 -0.56 -0.16 0.00 -0.37 0.00 0.00 57.07 56.07 1afp s TYR 8 Cb 0.02 -1.89 -0.08 0.00 -0.40 0.00 0.00 41.96 39.60 1afp s TYR 8 CO -0.02 0.23 -0.34 0.36 -1.57 0.00 0.00 175.55 174.21 1afp n LYS 9 N -1.20 0.55 -0.08 -0.62 2.85 -1.26 -2.53 118.16 115.87 1afp n LYS 9 Ca -0.02 0.24 -0.10 0.00 -1.05 0.00 0.00 58.31 57.38 1afp n LYS 9 Cb 0.64 -1.46 -0.05 0.00 -0.65 0.00 0.00 35.03 33.51 1afp n LYS 9 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1afp h LYS 10 N -1.00 -0.36 0.00 -1.58 3.64 -1.98 0.25 116.57 115.55 1afp h LYS 10 Ca -0.23 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1afp h LYS 10 Cb 1.19 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1afp h LYS 10 CO -0.14 -0.24 -0.08 -0.25 -2.27 0.00 0.00 179.45 176.47 1afp n ASP 11 N -5.42 0.82 -4.04 4.20 8.00 -1.26 -4.94 116.55 113.91 1afp n ASP 11 Ca -0.02 0.52 -0.44 0.00 0.71 0.00 0.00 54.79 55.57 1afp n ASP 11 Cb 0.35 -0.68 0.02 0.00 -0.02 0.00 0.00 41.12 40.79 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 -2.26 -4.24 -3.61 -2.24 5.15 0.89 -4.80 115.26 104.15 1afp n ASN 12 Ca 0.05 -1.26 -0.23 0.00 -0.60 0.00 0.00 54.58 52.55 1afp n ASN 12 Cb 0.43 -1.63 -0.08 0.00 -0.53 0.00 0.00 39.78 37.97 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 -3.44 0.21 -0.20 -1.44 -5.25 -1.16 -1.14 121.20 108.79 1afp s ILE 13 Ca 0.42 -2.00 -0.00 0.00 -0.99 0.00 0.00 60.65 58.07 1afp s ILE 13 Cb -0.23 -2.40 0.05 0.00 2.95 0.00 0.00 42.46 42.83 1afp s ILE 13 CO 0.96 0.00 -0.05 0.00 -1.79 0.00 0.00 174.94 174.06 1afp s LYS 15 N 1.55 3.53 0.10 0.00 -2.85 0.23 0.19 119.74 122.49 1afp s LYS 15 Ca -0.02 -0.51 -0.25 0.00 -1.00 0.00 0.00 55.97 54.19 1afp s LYS 15 Cb -0.17 -2.88 0.08 0.00 -2.06 0.00 0.00 37.83 32.80 1afp s LYS 15 CO -0.07 0.33 0.66 1.52 0.10 0.00 0.00 175.35 177.89 1afp s TYR 16 N 0.12 -0.53 -0.54 1.78 1.13 -1.26 -0.37 117.35 117.68 1afp s TYR 16 Ca -0.01 0.43 -0.24 0.00 -1.41 0.00 0.00 57.07 55.84 1afp s TYR 16 Cb -0.14 0.53 0.04 0.00 -1.10 0.00 0.00 41.96 41.30 1afp s TYR 16 CO 0.03 -0.77 0.92 0.21 -2.51 0.00 0.00 175.55 173.43 1afp s LYS 17 N -3.26 3.33 0.96 -3.49 2.36 -1.26 -4.15 119.74 114.23 1afp s LYS 17 Ca -0.00 -0.27 -0.14 0.00 -2.55 0.00 0.00 55.97 53.01 1afp s LYS 17 Cb -0.01 -4.05 -0.02 0.00 -1.05 0.00 0.00 37.83 32.70 1afp s LYS 17 CO -0.09 -1.45 0.03 0.00 1.55 0.00 0.00 175.35 175.39 1afp n ALA 18 N 7.37 -3.47 0.20 3.13 0.00 -1.26 -4.73 120.51 121.75 1afp n ALA 18 Ca 0.02 -0.62 0.13 0.00 0.00 0.00 0.00 53.44 52.97 1afp n ALA 18 Cb 0.47 -1.59 0.70 0.00 0.00 0.00 0.00 19.45 19.03 1afp n ALA 18 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1afp h GLN 19 N -1.34 0.00 0.00 0.00 1.08 -1.95 -1.19 115.11 111.71 1afp h GLN 19 Ca -0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 1afp h GLN 19 Cb 1.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1afp h GLN 19 CO 0.31 0.00 0.00 -1.13 -0.95 0.00 0.00 178.83 177.06 1afp n SER 20 N -2.40 0.58 0.00 1.46 3.41 -1.26 -4.97 113.62 110.43 1afp n SER 20 Ca -0.02 -1.28 0.00 0.00 -0.26 0.00 0.00 58.87 57.32 1afp n SER 20 Cb 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 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 -0.14 0.83 0.17 5.00 0.00 -0.45 -4.89 105.19 105.70 1afp n GLY 21 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1afp n GLY 21 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1afp h LYS 22 N 2.48 -0.40 0.00 1.61 3.11 -1.94 -3.43 116.57 118.01 1afp h LYS 22 Ca 0.00 0.03 -0.07 0.00 -2.81 0.00 0.00 60.65 57.80 1afp h LYS 22 Cb 0.00 0.09 0.04 0.00 -1.00 0.00 0.00 32.23 31.36 1afp h LYS 22 CO 0.00 -0.26 -0.03 -2.37 -2.81 0.00 0.00 179.45 173.97 1afp n THR 23 N -3.42 0.00 -2.19 1.00 5.66 -1.26 -4.92 114.28 109.14 1afp n THR 23 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1afp n THR 23 Cb 0.16 -0.18 0.00 0.00 -1.55 0.00 0.00 70.33 68.76 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 -2.68 0.00 -1.57 1.79 0.00 -1.26 -4.40 120.51 112.38 1afp n ALA 24 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.97 1afp n ALA 24 Cb 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.55 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 2.08 -3.48 0.00 5.41 -1.25 -4.31 119.36 117.81 1afp n ILE 25 Ca 0.00 -0.50 -0.13 0.00 1.00 0.00 0.00 62.75 63.12 1afp n ILE 25 Cb 0.00 -0.96 -0.11 0.00 -0.71 0.00 0.00 39.64 37.86 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 5.35 0.00 0.00 0.00 5.02 -1.26 0.15 118.16 127.42 1afp n LYS 27 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1afp n LYS 27 Cb 0.50 -0.78 0.00 0.00 -0.02 0.00 0.00 35.03 34.73 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 -0.02 0.00 -0.31 0.00 4.19 -1.26 -4.85 117.16 114.90 1afp n TYR 29 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1afp n TYR 29 Cb 0.00 0.00 0.14 0.00 0.49 0.00 0.00 39.34 39.97 1afp n TYR 29 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1afp h VAL 30 N 0.00 1.06 -0.73 2.97 2.07 -1.99 -3.08 116.25 116.54 1afp h VAL 30 Ca 0.00 -0.34 -0.73 0.00 0.82 0.00 0.00 66.70 66.45 1afp h VAL 30 Cb 0.00 -0.03 -0.10 0.00 -1.52 0.00 0.00 31.29 29.64 1afp h VAL 30 CO 0.00 0.18 2.53 0.29 0.02 0.00 0.00 177.57 180.60 1afp n LYS 31 N -4.60 3.23 -0.90 1.57 5.02 -1.26 -4.98 118.16 116.23 1afp n LYS 31 Ca 0.12 -3.09 -0.36 0.00 -2.02 0.00 0.00 58.31 52.96 1afp n LYS 31 Cb 0.16 -3.13 0.07 0.00 -0.02 0.00 0.00 35.03 32.11 1afp n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1afp n LYS 32 N 5.23 -0.41 -2.72 1.97 5.02 -1.17 -4.57 118.16 121.51 1afp n LYS 32 Ca 0.46 -0.11 -0.40 0.00 -2.02 0.00 0.00 58.31 56.23 1afp n LYS 32 Cb 0.38 -1.24 -0.06 0.00 -0.02 0.00 0.00 35.03 34.09 1afp n LYS 32 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afp h PRO 34 N 4.36 0.46 -1.20 0.00 0.13 -1.88 -3.41 132.00 130.46 1afp h PRO 34 Ca -0.45 -0.45 0.17 0.00 -0.87 0.00 0.00 66.00 64.40 1afp h PRO 34 Cb 1.20 0.12 -0.31 0.00 0.13 0.00 0.00 31.00 32.14 1afp h PRO 34 CO 0.69 1.09 0.79 -0.98 -0.23 0.00 0.00 178.00 179.36 1afp s ARG 35 N -3.40 0.18 0.10 0.86 1.70 -1.26 -4.94 118.95 112.18 1afp s ARG 35 Ca -0.06 0.18 -0.32 0.00 -0.47 0.00 0.00 55.73 55.06 1afp s ARG 35 Cb 0.09 0.09 -0.17 0.00 -0.57 0.00 0.00 34.95 34.38 1afp s ARG 35 CO 0.87 -0.03 0.74 -3.47 -1.08 0.00 0.00 175.30 172.32 1afp n ASP 36 N 1.55 -0.62 0.00 -2.89 -0.08 -1.26 -0.54 116.55 112.71 1afp n ASP 36 Ca -0.10 1.08 0.00 0.00 -1.51 0.00 0.00 54.79 54.26 1afp n ASP 36 Cb 0.57 -0.88 0.00 0.00 2.34 0.00 0.00 41.12 43.15 1afp n ASP 36 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1afp n GLY 37 N 1.65 2.76 3.49 0.27 0.00 -0.55 -4.98 105.19 107.83 1afp n GLY 37 Ca 0.18 0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.23 -1.30 -1.71 4.61 0.00 0.29 -4.28 120.51 117.89 1afp n ALA 38 Ca 0.00 0.47 -0.35 0.00 0.00 0.00 0.00 53.44 53.55 1afp n ALA 38 Cb 0.00 -1.79 0.03 0.00 0.00 0.00 0.00 19.45 17.70 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 2.75 2.99 0.27 0.00 2.20 -1.26 0.16 119.74 126.86 1afp s LYS 39 Ca 0.98 1.74 -0.18 0.00 -0.36 0.00 0.00 55.97 58.15 1afp s LYS 39 Cb -1.39 -1.94 0.01 0.00 -1.51 0.00 0.00 37.83 33.00 1afp s LYS 39 CO 0.76 -1.17 0.63 0.00 -0.36 0.00 0.00 175.35 175.21 1afp s GLU 41 N -3.88 0.81 -0.50 0.00 2.02 -1.26 -0.13 118.70 115.75 1afp s GLU 41 Ca 0.15 -1.17 -0.04 0.00 0.02 0.00 0.00 54.97 53.93 1afp s GLU 41 Cb -0.04 -0.41 0.13 0.00 0.10 0.00 0.00 34.13 33.91 1afp s GLU 41 CO 0.08 0.05 0.32 0.12 0.02 0.00 0.00 175.26 175.85 1afp s PHE 42 N -2.70 3.51 0.14 1.61 5.36 -1.23 -1.72 117.98 122.95 1afp s PHE 42 Ca 0.06 -2.44 -0.32 0.00 -0.96 0.00 0.00 56.93 53.26 1afp s PHE 42 Cb -0.01 -3.27 -0.12 0.00 -0.34 0.00 0.00 43.02 39.28 1afp s PHE 42 CO -0.01 -0.93 1.75 -3.47 -1.46 0.00 0.00 175.22 171.10 1afp n ASP 43 N 4.23 3.78 -0.79 6.13 4.64 -1.25 -2.80 116.55 130.49 1afp n ASP 43 Ca 0.01 1.03 0.10 0.00 -1.38 0.00 0.00 54.79 54.54 1afp n ASP 43 Cb 0.40 -1.51 0.28 0.00 -1.04 0.00 0.00 41.12 39.24 1afp n ASP 43 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 1afp n SER 44 N 4.73 2.34 0.02 1.67 3.41 -1.26 -1.65 113.62 122.87 1afp n SER 44 Ca 0.18 -1.88 -0.13 0.00 -0.26 0.00 0.00 58.87 56.78 1afp n SER 44 Cb 0.34 -0.21 -0.14 0.00 -0.26 0.00 0.00 64.21 63.94 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 2.87 0.22 0.00 7.33 0.05 -1.95 -3.43 116.97 122.05 1afp h TYR 45 Ca 0.00 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.62 1afp h TYR 45 Cb 0.64 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.37 1afp h TYR 45 CO 0.21 1.24 -0.63 1.63 -1.05 0.00 0.00 178.16 179.56 1afp n LYS 46 N -3.28 0.00 0.00 4.88 5.02 -1.25 -5.06 118.16 118.47 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 1.03 -0.41 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 2.51 1.91 0.46 0.72 0.00 -0.66 -5.10 105.19 105.03 1afp n GLY 47 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.35 -0.48 -3.37 1.61 4.76 -1.25 -4.91 118.16 114.16 1afp n LYS 48 Ca 0.00 -0.24 -0.25 0.00 -2.87 0.00 0.00 58.31 54.95 1afp n LYS 48 Cb 0.00 -0.18 -0.10 0.00 -1.84 0.00 0.00 35.03 32.92 1afp n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1afp n TYR 50 N 3.47 -1.48 -1.83 0.00 4.02 -0.70 -4.40 117.16 116.24 1afp n TYR 50 Ca 0.20 0.15 0.00 0.00 -0.01 0.00 0.00 57.90 58.25 1afp n TYR 50 Cb 0.44 -1.53 0.00 0.00 -0.02 0.00 0.00 39.34 38.23 1afp n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85